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([O-])[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)[C@@H]1CCCOC1 ZINC001119580352 939814290 /nfs/dbraw/zinc/81/42/90/939814290.db2.gz LXJMDUZCYWOIFM-QAPCUYQASA-N -1 1 376.457 0.590 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819933060 945313358 /nfs/dbraw/zinc/31/33/58/945313358.db2.gz DLIVBMXTGRKBSE-ZDUSSCGKSA-N -1 1 390.400 0.941 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819933060 945313364 /nfs/dbraw/zinc/31/33/64/945313364.db2.gz DLIVBMXTGRKBSE-ZDUSSCGKSA-N -1 1 390.400 0.941 20 0 GCADMM CC(C)C(=O)Nc1ccc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000820011670 945329850 /nfs/dbraw/zinc/32/98/50/945329850.db2.gz OATGBJNPFKJERU-UHFFFAOYSA-N -1 1 385.384 0.651 20 0 GCADMM NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571258544 945354693 /nfs/dbraw/zinc/35/46/93/945354693.db2.gz VQIPFIRXIDOMQS-QMMMGPOBSA-N -1 1 385.413 0.144 20 0 GCADMM NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571258544 945354702 /nfs/dbraw/zinc/35/47/02/945354702.db2.gz VQIPFIRXIDOMQS-QMMMGPOBSA-N -1 1 385.413 0.144 20 0 GCADMM CC(=O)NC1CCC([N@@H+](C)Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1 ZINC001571258787 945364604 /nfs/dbraw/zinc/36/46/04/945364604.db2.gz BLPCBYGSESNFRT-UHFFFAOYSA-N -1 1 385.432 0.494 20 0 GCADMM CC(=O)N1CCN(C(=O)CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735466317 944663982 /nfs/dbraw/zinc/66/39/82/944663982.db2.gz UFYFUVDQJQVLEO-UHFFFAOYSA-N -1 1 378.824 0.408 20 0 GCADMM CC(=O)N1CCN(C(=O)CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735466317 944663998 /nfs/dbraw/zinc/66/39/98/944663998.db2.gz UFYFUVDQJQVLEO-UHFFFAOYSA-N -1 1 378.824 0.408 20 0 GCADMM CC(=O)Nc1nnc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)s1 ZINC000735497156 944667225 /nfs/dbraw/zinc/66/72/25/944667225.db2.gz PQIYATYSKTXETM-UHFFFAOYSA-N -1 1 390.414 0.717 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736770532 944886535 /nfs/dbraw/zinc/88/65/35/944886535.db2.gz MZWRTDVNUUEESI-UHFFFAOYSA-N -1 1 391.388 0.903 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736770532 944886538 /nfs/dbraw/zinc/88/65/38/944886538.db2.gz MZWRTDVNUUEESI-UHFFFAOYSA-N -1 1 391.388 0.903 20 0 GCADMM COCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC(=O)N(C)C ZINC000736989598 944928524 /nfs/dbraw/zinc/92/85/24/944928524.db2.gz FBARLXXGHJXORU-UHFFFAOYSA-N -1 1 379.421 0.052 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)NC1 ZINC001571258944 945369714 /nfs/dbraw/zinc/36/97/14/945369714.db2.gz BBWOBXWMVPQEQK-SRVKXCTJSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)NC1 ZINC001571258944 945369722 /nfs/dbraw/zinc/36/97/22/945369722.db2.gz BBWOBXWMVPQEQK-SRVKXCTJSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)NC1 ZINC001571258943 945370166 /nfs/dbraw/zinc/37/01/66/945370166.db2.gz BBWOBXWMVPQEQK-IJLUTSLNSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)NC1 ZINC001571258943 945370177 /nfs/dbraw/zinc/37/01/77/945370177.db2.gz BBWOBXWMVPQEQK-IJLUTSLNSA-N -1 1 385.432 0.022 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)C[C@@H]3CCCC(=O)N3)C2)n1 ZINC001571260378 945414398 /nfs/dbraw/zinc/41/43/98/945414398.db2.gz RBAPHALAHGHKNZ-SRVKXCTJSA-N -1 1 385.432 0.083 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)C[C@@H]3CCCC(=O)N3)C2)n1 ZINC001571260378 945414400 /nfs/dbraw/zinc/41/44/00/945414400.db2.gz RBAPHALAHGHKNZ-SRVKXCTJSA-N -1 1 385.432 0.083 20 0 GCADMM O=C([C@H]1CCCC(=O)N1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571260620 945420042 /nfs/dbraw/zinc/42/00/42/945420042.db2.gz XNGUUPXYXGLKGZ-VXGBXAGGSA-N -1 1 385.432 0.118 20 0 GCADMM O=C([C@H]1CCCC(=O)N1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571260620 945420047 /nfs/dbraw/zinc/42/00/47/945420047.db2.gz XNGUUPXYXGLKGZ-VXGBXAGGSA-N -1 1 385.432 0.118 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccns2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571261485 945426874 /nfs/dbraw/zinc/42/68/74/945426874.db2.gz GJVGFHPFXYLQPV-MNOVXSKESA-N -1 1 385.457 0.888 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C)s1 ZINC001571261846 945431357 /nfs/dbraw/zinc/43/13/57/945431357.db2.gz KFYKNYGYHDALMB-PRHODGIISA-N -1 1 385.457 0.985 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C)s1 ZINC001571261846 945431365 /nfs/dbraw/zinc/43/13/65/945431365.db2.gz KFYKNYGYHDALMB-PRHODGIISA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571262066 945433686 /nfs/dbraw/zinc/43/36/86/945433686.db2.gz MWNAAZZFAIKSTI-WDEREUQCSA-N -1 1 385.457 0.745 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4snc(C)c4-c4nn[n-]n4)C[C@H]32)n(C)n1 ZINC001571263251 945453423 /nfs/dbraw/zinc/45/34/23/945453423.db2.gz LAGLQRWUHMGTOC-IWIIMEHWSA-N -1 1 385.457 0.538 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1nccs1 ZINC001571263649 945463766 /nfs/dbraw/zinc/46/37/66/945463766.db2.gz VTRUUAODOUHRJY-MNOVXSKESA-N -1 1 385.457 0.936 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@H]1COCCO1 ZINC001571264944 945495740 /nfs/dbraw/zinc/49/57/40/945495740.db2.gz BEWKFJISGCETSC-GJMOJQLCSA-N -1 1 385.837 0.451 20 0 GCADMM O=C(c1cncc(Cl)c1)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265819 945521875 /nfs/dbraw/zinc/52/18/75/945521875.db2.gz PQDJGEVTENXUQF-UHFFFAOYSA-N -1 1 385.819 0.844 20 0 GCADMM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571265931 945527244 /nfs/dbraw/zinc/52/72/44/945527244.db2.gz LCHSGSAEJSWLAW-SECBINFHSA-N -1 1 385.475 0.151 20 0 GCADMM Cn1cc(Cl)cc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571266054 945528348 /nfs/dbraw/zinc/52/83/48/945528348.db2.gz VCAZYISRLCSBTM-QWRGUYRKSA-N -1 1 385.819 0.752 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC001571266721 945551885 /nfs/dbraw/zinc/55/18/85/945551885.db2.gz XYMWNUZBWHTWNH-BDAKNGLRSA-N -1 1 385.475 0.078 20 0 GCADMM Cc1cc([C@H]2CCCN2C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)on1 ZINC001571266837 945553714 /nfs/dbraw/zinc/55/37/14/945553714.db2.gz AERSUTZXUFPPLU-LLVKDONJSA-N -1 1 386.372 0.179 20 0 GCADMM COc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc(NC(C)=O)c1OC ZINC001571266982 945558581 /nfs/dbraw/zinc/55/85/81/945558581.db2.gz FFNHXXBOKWGDCR-UHFFFAOYSA-N -1 1 386.372 0.828 20 0 GCADMM COc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc(NC(C)=O)c1OC ZINC001571266982 945558586 /nfs/dbraw/zinc/55/85/86/945558586.db2.gz FFNHXXBOKWGDCR-UHFFFAOYSA-N -1 1 386.372 0.828 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cc(F)ccc1F ZINC001571267603 945574553 /nfs/dbraw/zinc/57/45/53/945574553.db2.gz ZRBXMSHBWBJNOR-HOMQSWHASA-N -1 1 386.366 0.977 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571267830 945579935 /nfs/dbraw/zinc/57/99/35/945579935.db2.gz GDTUOYYETFYDHU-MWLCHTKSSA-N -1 1 386.395 0.294 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC001571267926 945584363 /nfs/dbraw/zinc/58/43/63/945584363.db2.gz JIMOODRHICGLQP-UWVGGRQHSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC001571267926 945584369 /nfs/dbraw/zinc/58/43/69/945584369.db2.gz JIMOODRHICGLQP-UWVGGRQHSA-N -1 1 386.395 0.872 20 0 GCADMM O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(CCF)c1 ZINC001571268108 945588210 /nfs/dbraw/zinc/58/82/10/945588210.db2.gz OCTDYYNYOLZNJO-UHFFFAOYSA-N -1 1 386.395 0.443 20 0 GCADMM O=C(NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(CCF)c1 ZINC001571268108 945588215 /nfs/dbraw/zinc/58/82/15/945588215.db2.gz OCTDYYNYOLZNJO-UHFFFAOYSA-N -1 1 386.395 0.443 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571268309 945592355 /nfs/dbraw/zinc/59/23/55/945592355.db2.gz RDJVTBDQIFTART-JTQLQIEISA-N -1 1 386.395 0.189 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3n[nH]cc3F)CC2)n1 ZINC001571268433 945596282 /nfs/dbraw/zinc/59/62/82/945596282.db2.gz RTKXGBMXQOPBRZ-SNVBAGLBSA-N -1 1 386.395 0.616 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571268422 945596651 /nfs/dbraw/zinc/59/66/51/945596651.db2.gz ROIFLJIIHXNKNM-MNOVXSKESA-N -1 1 386.416 0.259 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571268422 945596655 /nfs/dbraw/zinc/59/66/55/945596655.db2.gz ROIFLJIIHXNKNM-MNOVXSKESA-N -1 1 386.416 0.259 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571268682 945601544 /nfs/dbraw/zinc/60/15/44/945601544.db2.gz WMFORYDQYZWJNJ-DGCLKSJQSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571268682 945601550 /nfs/dbraw/zinc/60/15/50/945601550.db2.gz WMFORYDQYZWJNJ-DGCLKSJQSA-N -1 1 386.416 0.584 20 0 GCADMM CCc1nc(N[C@@H]2CCCN(C(=O)C3=COCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571268655 945601990 /nfs/dbraw/zinc/60/19/90/945601990.db2.gz WBCJHQQCRMCINO-LLVKDONJSA-N -1 1 386.416 0.510 20 0 GCADMM CCc1nc(N[C@@H]2CCCN(C(=O)C3=COCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571268655 945601998 /nfs/dbraw/zinc/60/19/98/945601998.db2.gz WBCJHQQCRMCINO-LLVKDONJSA-N -1 1 386.416 0.510 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001571268754 945603646 /nfs/dbraw/zinc/60/36/46/945603646.db2.gz JNNSPBNDVGOARC-SKDRFNHKSA-N -1 1 386.420 0.049 20 0 GCADMM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001571268753 945604537 /nfs/dbraw/zinc/60/45/37/945604537.db2.gz JNNSPBNDVGOARC-JOYOIKCWSA-N -1 1 386.420 0.049 20 0 GCADMM Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)o1 ZINC001571268851 945606241 /nfs/dbraw/zinc/60/62/41/945606241.db2.gz XVKIQDFKSZZYGV-GFCCVEGCSA-N -1 1 386.391 0.630 20 0 GCADMM Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)o1 ZINC001571268851 945606249 /nfs/dbraw/zinc/60/62/49/945606249.db2.gz XVKIQDFKSZZYGV-GFCCVEGCSA-N -1 1 386.391 0.630 20 0 GCADMM CC[C@H](C)n1nccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571268861 945606479 /nfs/dbraw/zinc/60/64/79/945606479.db2.gz KWYHRAHBEVBNIF-JTQLQIEISA-N -1 1 386.420 0.846 20 0 GCADMM CC[C@H](C)n1nccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571268861 945606487 /nfs/dbraw/zinc/60/64/87/945606487.db2.gz KWYHRAHBEVBNIF-JTQLQIEISA-N -1 1 386.420 0.846 20 0 GCADMM Cc1cscc1C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571269608 945621316 /nfs/dbraw/zinc/62/13/16/945621316.db2.gz AAGGJEBGKAILBK-LLVKDONJSA-N -1 1 386.441 0.402 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)C3=COCCO3)C2)n1 ZINC001571269474 945621685 /nfs/dbraw/zinc/62/16/85/945621685.db2.gz ZKKKWQARNPLPDJ-LBPRGKRZSA-N -1 1 386.416 0.138 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)C3=COCCO3)C2)n1 ZINC001571269474 945621687 /nfs/dbraw/zinc/62/16/87/945621687.db2.gz ZKKKWQARNPLPDJ-LBPRGKRZSA-N -1 1 386.416 0.138 20 0 GCADMM Cc1cscc1C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001571269667 945623585 /nfs/dbraw/zinc/62/35/85/945623585.db2.gz BWTVEBBIOWMQGO-NSHDSACASA-N -1 1 386.441 0.662 20 0 GCADMM Cc1cscc1C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001571269667 945623593 /nfs/dbraw/zinc/62/35/93/945623593.db2.gz BWTVEBBIOWMQGO-NSHDSACASA-N -1 1 386.441 0.662 20 0 GCADMM Cc1csc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)c1 ZINC001571269718 945625331 /nfs/dbraw/zinc/62/53/31/945625331.db2.gz CQNRTAZPQDDYDT-MNOVXSKESA-N -1 1 386.441 0.396 20 0 GCADMM CCc1nnsc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571269864 945625438 /nfs/dbraw/zinc/62/54/38/945625438.db2.gz FPJCOXHOYAHOPV-LDYMZIIASA-N -1 1 386.445 0.325 20 0 GCADMM CCc1nnsc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571269864 945625444 /nfs/dbraw/zinc/62/54/44/945625444.db2.gz FPJCOXHOYAHOPV-LDYMZIIASA-N -1 1 386.445 0.325 20 0 GCADMM Cc1ccsc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269931 945626940 /nfs/dbraw/zinc/62/69/40/945626940.db2.gz ICBJPPZHYBVROF-NSHDSACASA-N -1 1 386.441 0.980 20 0 GCADMM Cc1ccsc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269931 945626947 /nfs/dbraw/zinc/62/69/47/945626947.db2.gz ICBJPPZHYBVROF-NSHDSACASA-N -1 1 386.441 0.980 20 0 GCADMM Cc1nnsc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571269901 945626960 /nfs/dbraw/zinc/62/69/60/945626960.db2.gz HHBNCHLRIJZQBF-PSASIEDQSA-N -1 1 386.445 0.319 20 0 GCADMM Cc1nnsc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571269901 945626964 /nfs/dbraw/zinc/62/69/64/945626964.db2.gz HHBNCHLRIJZQBF-PSASIEDQSA-N -1 1 386.445 0.319 20 0 GCADMM COc1cc(C)sc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571269948 945627898 /nfs/dbraw/zinc/62/78/98/945627898.db2.gz IOLWOWMUPGNOHE-UHFFFAOYSA-N -1 1 386.441 0.998 20 0 GCADMM COc1cc(C)sc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571269948 945627901 /nfs/dbraw/zinc/62/79/01/945627901.db2.gz IOLWOWMUPGNOHE-UHFFFAOYSA-N -1 1 386.441 0.998 20 0 GCADMM C[C@@H](c1ccccc1)[C@@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)C(N)=O ZINC001571270098 945631574 /nfs/dbraw/zinc/63/15/74/945631574.db2.gz NADNDWUNQOBRRE-TVQRCGJNSA-N -1 1 386.441 0.780 20 0 GCADMM C[C@@H](c1ccccc1)[C@@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)C(N)=O ZINC001571270098 945631578 /nfs/dbraw/zinc/63/15/78/945631578.db2.gz NADNDWUNQOBRRE-TVQRCGJNSA-N -1 1 386.441 0.780 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)c3csnn3)C2)n1 ZINC001571270057 945631900 /nfs/dbraw/zinc/63/19/00/945631900.db2.gz LQFHOONZUJUTQG-SNVBAGLBSA-N -1 1 386.445 0.415 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)c3csnn3)C2)n1 ZINC001571270057 945631903 /nfs/dbraw/zinc/63/19/03/945631903.db2.gz LQFHOONZUJUTQG-SNVBAGLBSA-N -1 1 386.445 0.415 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)c2cnns2)n1 ZINC001571270546 945636517 /nfs/dbraw/zinc/63/65/17/945636517.db2.gz USJMXXDJAKUUDS-JTQLQIEISA-N -1 1 386.445 0.558 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)c2cnns2)n1 ZINC001571270546 945636524 /nfs/dbraw/zinc/63/65/24/945636524.db2.gz USJMXXDJAKUUDS-JTQLQIEISA-N -1 1 386.445 0.558 20 0 GCADMM COc1ccsc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571270503 945637104 /nfs/dbraw/zinc/63/71/04/945637104.db2.gz UIOPDPOISSXVCJ-NXEZZACHSA-N -1 1 386.441 0.864 20 0 GCADMM CCc1nnsc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571270595 945638412 /nfs/dbraw/zinc/63/84/12/945638412.db2.gz WEZZFANYXXOGAF-RKDXNWHRSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571270595 945638414 /nfs/dbraw/zinc/63/84/14/945638414.db2.gz WEZZFANYXXOGAF-RKDXNWHRSA-N -1 1 386.445 0.786 20 0 GCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)n1 ZINC001571272242 945657572 /nfs/dbraw/zinc/65/75/72/945657572.db2.gz BQTJSPOSOXGWKV-RDBSUJKOSA-N -1 1 386.460 0.601 20 0 GCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)n1 ZINC001571272242 945657573 /nfs/dbraw/zinc/65/75/73/945657573.db2.gz BQTJSPOSOXGWKV-RDBSUJKOSA-N -1 1 386.460 0.601 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C1CCCCCCC1 ZINC001571272417 945661702 /nfs/dbraw/zinc/66/17/02/945661702.db2.gz DHUVXPKIWGDJJL-KGLIPLIRSA-N -1 1 386.460 0.683 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C1CCCCCCC1 ZINC001571272417 945661711 /nfs/dbraw/zinc/66/17/11/945661711.db2.gz DHUVXPKIWGDJJL-KGLIPLIRSA-N -1 1 386.460 0.683 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001571272368 945661742 /nfs/dbraw/zinc/66/17/42/945661742.db2.gz CAXMXNVYISNKLV-XJKSGUPXSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001571272368 945661747 /nfs/dbraw/zinc/66/17/47/945661747.db2.gz CAXMXNVYISNKLV-XJKSGUPXSA-N -1 1 386.460 0.899 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)CC1CCOCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571272388 945662737 /nfs/dbraw/zinc/66/27/37/945662737.db2.gz CNCYMPLQMVCGQO-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)CC1CCOCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571272388 945662744 /nfs/dbraw/zinc/66/27/44/945662744.db2.gz CNCYMPLQMVCGQO-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCOC[C@H]3C)C2)n1 ZINC001571272463 945663523 /nfs/dbraw/zinc/66/35/23/945663523.db2.gz FIKDJSDEMLTWKD-FMKGYKFTSA-N -1 1 386.460 0.944 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCOC[C@H]3C)C2)n1 ZINC001571272463 945663534 /nfs/dbraw/zinc/66/35/34/945663534.db2.gz FIKDJSDEMLTWKD-FMKGYKFTSA-N -1 1 386.460 0.944 20 0 GCADMM CN(C(=O)[C@]1(C)CCCOC1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571272454 945664062 /nfs/dbraw/zinc/66/40/62/945664062.db2.gz FENVKNVJJPZUTP-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C(=O)[C@]1(C)CCCOC1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571272454 945664068 /nfs/dbraw/zinc/66/40/68/945664068.db2.gz FENVKNVJJPZUTP-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571272582 945665589 /nfs/dbraw/zinc/66/55/89/945665589.db2.gz FLDVBXYINUZJIN-ZIAGYGMSSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571272582 945665592 /nfs/dbraw/zinc/66/55/92/945665592.db2.gz FLDVBXYINUZJIN-ZIAGYGMSSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)[C@]1(C)CCCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272672 945667851 /nfs/dbraw/zinc/66/78/51/945667851.db2.gz HNQBRXBYKYFAGZ-SCLBCKFNSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)[C@]1(C)CCCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272672 945667856 /nfs/dbraw/zinc/66/78/56/945667856.db2.gz HNQBRXBYKYFAGZ-SCLBCKFNSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](NC(=O)[C@@H]1CCCCO1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571272706 945669297 /nfs/dbraw/zinc/66/92/97/945669297.db2.gz HZJMWFIHQRKYIA-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](NC(=O)[C@@H]1CCCCO1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571272706 945669301 /nfs/dbraw/zinc/66/93/01/945669301.db2.gz HZJMWFIHQRKYIA-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C[C@@](C)(O)C3CC3)C2)n1 ZINC001571272807 945671300 /nfs/dbraw/zinc/67/13/00/945671300.db2.gz IQIPNXDPLQFTJQ-SCLBCKFNSA-N -1 1 386.460 0.919 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)C[C@@](C)(O)C3CC3)C2)n1 ZINC001571272807 945671306 /nfs/dbraw/zinc/67/13/06/945671306.db2.gz IQIPNXDPLQFTJQ-SCLBCKFNSA-N -1 1 386.460 0.919 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)[C@]3(C)CCCOC3)CC2)n1 ZINC001571272805 945671852 /nfs/dbraw/zinc/67/18/52/945671852.db2.gz IPWWCKCTMBAJJB-GOSISDBHSA-N -1 1 386.460 0.867 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)[C@]3(C)CCCOC3)CC2)n1 ZINC001571272805 945671856 /nfs/dbraw/zinc/67/18/56/945671856.db2.gz IPWWCKCTMBAJJB-GOSISDBHSA-N -1 1 386.460 0.867 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(C2)CN(C(=O)C(C)C)C[C@@H](C)O3)n1 ZINC001571272865 945672913 /nfs/dbraw/zinc/67/29/13/945672913.db2.gz JRPMKAVGDMJIRN-ACJLOTCBSA-N -1 1 386.460 0.817 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(C2)CN(C(=O)C(C)C)C[C@@H](C)O3)n1 ZINC001571272865 945672920 /nfs/dbraw/zinc/67/29/20/945672920.db2.gz JRPMKAVGDMJIRN-ACJLOTCBSA-N -1 1 386.460 0.817 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272872 945674114 /nfs/dbraw/zinc/67/41/14/945674114.db2.gz JSJVBHGNQZREGV-STQMWFEESA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272872 945674119 /nfs/dbraw/zinc/67/41/19/945674119.db2.gz JSJVBHGNQZREGV-STQMWFEESA-N -1 1 386.460 0.906 20 0 GCADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001571272963 945674850 /nfs/dbraw/zinc/67/48/50/945674850.db2.gz LWFMBYQRRVWYHQ-JHJVBQTASA-N -1 1 386.460 0.803 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272948 945675818 /nfs/dbraw/zinc/67/58/18/945675818.db2.gz LNVXEAXNQAGRPX-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272948 945675825 /nfs/dbraw/zinc/67/58/25/945675825.db2.gz LNVXEAXNQAGRPX-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CCOC3)C2)n1 ZINC001571272935 945675884 /nfs/dbraw/zinc/67/58/84/945675884.db2.gz LHERUVFYUANDSX-MBNYWOFBSA-N -1 1 386.460 0.587 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CCOC3)C2)n1 ZINC001571272935 945675889 /nfs/dbraw/zinc/67/58/89/945675889.db2.gz LHERUVFYUANDSX-MBNYWOFBSA-N -1 1 386.460 0.587 20 0 GCADMM CN(C(=O)C[C@H]1CCCO1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571273040 945678203 /nfs/dbraw/zinc/67/82/03/945678203.db2.gz NRTPCBUVGHZGFP-JXQTWKCFSA-N -1 1 386.460 0.829 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1CCCCCC1 ZINC001571273114 945679427 /nfs/dbraw/zinc/67/94/27/945679427.db2.gz PNNJNEIYQYYNNY-DZGCQCFKSA-N -1 1 386.460 0.683 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1CCCCCC1 ZINC001571273114 945679431 /nfs/dbraw/zinc/67/94/31/945679431.db2.gz PNNJNEIYQYYNNY-DZGCQCFKSA-N -1 1 386.460 0.683 20 0 GCADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC(O)CC1 ZINC001571273136 945680456 /nfs/dbraw/zinc/68/04/56/945680456.db2.gz QBAPTTKKKPBIFE-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001571273170 945681152 /nfs/dbraw/zinc/68/11/52/945681152.db2.gz RGQZRUIQYFQURW-MGPQQGTHSA-N -1 1 386.460 0.662 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001571273170 945681156 /nfs/dbraw/zinc/68/11/56/945681156.db2.gz RGQZRUIQYFQURW-MGPQQGTHSA-N -1 1 386.460 0.662 20 0 GCADMM COC1CCC(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571273220 945681247 /nfs/dbraw/zinc/68/12/47/945681247.db2.gz SUJVOBMBOIXDJS-IYXRBSQSSA-N -1 1 386.460 0.544 20 0 GCADMM CO[C@H](C)C(=O)N1CC[C@@]2(C1)CCCN(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001571273424 945687956 /nfs/dbraw/zinc/68/79/56/945687956.db2.gz XLGBUZTXZLCFHW-FZKQIMNGSA-N -1 1 386.460 0.819 20 0 GCADMM CO[C@H](C)C(=O)N1CC[C@@]2(C1)CCCN(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001571273424 945687962 /nfs/dbraw/zinc/68/79/62/945687962.db2.gz XLGBUZTXZLCFHW-FZKQIMNGSA-N -1 1 386.460 0.819 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)CC3CCCC3)[C@@H](O)C2)n1 ZINC001571273513 945690615 /nfs/dbraw/zinc/69/06/15/945690615.db2.gz YVGNIWCCSBOHNJ-ZFWWWQNUSA-N -1 1 386.460 0.601 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)CC3CCCC3)[C@@H](O)C2)n1 ZINC001571273513 945690621 /nfs/dbraw/zinc/69/06/21/945690621.db2.gz YVGNIWCCSBOHNJ-ZFWWWQNUSA-N -1 1 386.460 0.601 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)CC3CCCC3)[C@H](O)C2)n1 ZINC001571273510 945690797 /nfs/dbraw/zinc/69/07/97/945690797.db2.gz YVGNIWCCSBOHNJ-DZGCQCFKSA-N -1 1 386.460 0.601 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)CC3CCCC3)[C@H](O)C2)n1 ZINC001571273510 945690803 /nfs/dbraw/zinc/69/08/03/945690803.db2.gz YVGNIWCCSBOHNJ-DZGCQCFKSA-N -1 1 386.460 0.601 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ncc(F)cc1F ZINC001571274118 945692480 /nfs/dbraw/zinc/69/24/80/945692480.db2.gz BKKRVAYZAXFVIB-WCBMZHEXSA-N -1 1 387.354 0.467 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2c(F)cncc2F)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571274286 945694617 /nfs/dbraw/zinc/69/46/17/945694617.db2.gz DSAJYNMVGFDNPI-KCJUWKMLSA-N -1 1 387.354 0.727 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2c(F)cncc2F)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571274286 945694619 /nfs/dbraw/zinc/69/46/19/945694619.db2.gz DSAJYNMVGFDNPI-KCJUWKMLSA-N -1 1 387.354 0.727 20 0 GCADMM O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001571275323 945705475 /nfs/dbraw/zinc/70/54/75/945705475.db2.gz SDXAXPMDWBUCBJ-MRVPVSSYSA-N -1 1 386.869 0.945 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ncc(F)cc1F ZINC001571275514 945707132 /nfs/dbraw/zinc/70/71/32/945707132.db2.gz VJDXHWZFVMKPOY-SNVBAGLBSA-N -1 1 387.354 0.729 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ncc(F)cc1F ZINC001571275514 945707137 /nfs/dbraw/zinc/70/71/37/945707137.db2.gz VJDXHWZFVMKPOY-SNVBAGLBSA-N -1 1 387.354 0.729 20 0 GCADMM C[C@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571275693 945710884 /nfs/dbraw/zinc/71/08/84/945710884.db2.gz ATPVUCVPWZSPDT-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571275693 945710892 /nfs/dbraw/zinc/71/08/92/945710892.db2.gz ATPVUCVPWZSPDT-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1C[C@H](C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571275687 945711005 /nfs/dbraw/zinc/71/10/05/945711005.db2.gz AQVVZIANWYKOFT-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1C[C@H](C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571275687 945711013 /nfs/dbraw/zinc/71/10/13/945711013.db2.gz AQVVZIANWYKOFT-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571275694 945713708 /nfs/dbraw/zinc/71/37/08/945713708.db2.gz ATPVUCVPWZSPDT-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571275694 945713714 /nfs/dbraw/zinc/71/37/14/945713714.db2.gz ATPVUCVPWZSPDT-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001571275732 945713879 /nfs/dbraw/zinc/71/38/79/945713879.db2.gz BNEPFNGUSSRVDJ-TZMCWYRMSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C2(C)CCOCC2)C1 ZINC001571275769 945713907 /nfs/dbraw/zinc/71/39/07/945713907.db2.gz CBSGKNLLCRKXRW-KRWDZBQOSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@@H](C(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001571275750 945714670 /nfs/dbraw/zinc/71/46/70/945714670.db2.gz BUFRHTYEYOOLBH-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001571275750 945714674 /nfs/dbraw/zinc/71/46/74/945714674.db2.gz BUFRHTYEYOOLBH-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM CC[C@H]1C[C@H](C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571275820 945716060 /nfs/dbraw/zinc/71/60/60/945716060.db2.gz CZFHZDJQLWOLTR-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@H]1C[C@H](C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571275820 945716065 /nfs/dbraw/zinc/71/60/65/945716065.db2.gz CZFHZDJQLWOLTR-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCCO1 ZINC001571275844 945716203 /nfs/dbraw/zinc/71/62/03/945716203.db2.gz DDSGRKSGYDWECJ-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCCO1 ZINC001571275844 945716208 /nfs/dbraw/zinc/71/62/08/945716208.db2.gz DDSGRKSGYDWECJ-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571275923 945718967 /nfs/dbraw/zinc/71/89/67/945718967.db2.gz FTACZRBPQHKVEP-ZFWWWQNUSA-N -1 1 386.460 0.817 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571275923 945718971 /nfs/dbraw/zinc/71/89/71/945718971.db2.gz FTACZRBPQHKVEP-ZFWWWQNUSA-N -1 1 386.460 0.817 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1NC(=O)C[C@H]1CCOC1 ZINC001571276057 945722042 /nfs/dbraw/zinc/72/20/42/945722042.db2.gz GOBYRBKFJDWJJF-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1NC(=O)C[C@H]1CCOC1 ZINC001571276057 945722048 /nfs/dbraw/zinc/72/20/48/945722048.db2.gz GOBYRBKFJDWJJF-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(CCO)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001571276066 945722778 /nfs/dbraw/zinc/72/27/78/945722778.db2.gz GUPVJDBQQMGRNE-GXTWGEPZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(CCO)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001571276066 945722783 /nfs/dbraw/zinc/72/27/83/945722783.db2.gz GUPVJDBQQMGRNE-GXTWGEPZSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001571276058 945722974 /nfs/dbraw/zinc/72/29/74/945722974.db2.gz GOBYRBKFJDWJJF-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001571276058 945722982 /nfs/dbraw/zinc/72/29/82/945722982.db2.gz GOBYRBKFJDWJJF-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)C[C@@H]1CCCOC1 ZINC001571276080 945723700 /nfs/dbraw/zinc/72/37/00/945723700.db2.gz HANTWYBVCJUTPA-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)C[C@@H]1CCCOC1 ZINC001571276080 945723708 /nfs/dbraw/zinc/72/37/08/945723708.db2.gz HANTWYBVCJUTPA-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)CC2(C)C)CCOC1 ZINC001571276568 945732259 /nfs/dbraw/zinc/73/22/59/945732259.db2.gz IRYLDSKULMEENJ-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)CC2(C)C)CCOC1 ZINC001571276568 945732263 /nfs/dbraw/zinc/73/22/63/945732263.db2.gz IRYLDSKULMEENJ-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM CCC1(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001571276554 945733051 /nfs/dbraw/zinc/73/30/51/945733051.db2.gz IISNWAIOBLAPQB-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM COC(=O)c1ccc(N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c(-c2nnn[n-]2)n1 ZINC001571277252 945737885 /nfs/dbraw/zinc/73/78/85/945737885.db2.gz NTSCCYRJNGOWLN-BMLIUANNSA-N -1 1 387.400 0.763 20 0 GCADMM COC(=O)c1ccc(N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c(-c2nn[n-]n2)n1 ZINC001571277252 945737893 /nfs/dbraw/zinc/73/78/93/945737893.db2.gz NTSCCYRJNGOWLN-BMLIUANNSA-N -1 1 387.400 0.763 20 0 GCADMM CCOC1CC(C(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001571278985 945766449 /nfs/dbraw/zinc/76/64/49/945766449.db2.gz UAJUFWUINVIIDV-ROKHWSDSSA-N -1 1 386.460 0.817 20 0 GCADMM CCOC1CC(C(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001571278985 945766452 /nfs/dbraw/zinc/76/64/52/945766452.db2.gz UAJUFWUINVIIDV-ROKHWSDSSA-N -1 1 386.460 0.817 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)sn1 ZINC001571279042 945767101 /nfs/dbraw/zinc/76/71/01/945767101.db2.gz HFFZBZGDMGCAAM-VIFPVBQESA-N -1 1 387.429 0.521 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)sn1 ZINC001571279042 945767113 /nfs/dbraw/zinc/76/71/13/945767113.db2.gz HFFZBZGDMGCAAM-VIFPVBQESA-N -1 1 387.429 0.521 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CNC(=O)c3csc(=O)[nH]3)C2)n1 ZINC001571279569 945782467 /nfs/dbraw/zinc/78/24/67/945782467.db2.gz SGUSLHWWOVVRQS-SECBINFHSA-N -1 1 387.429 0.384 20 0 GCADMM CSc1ccc(CCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571279547 945782619 /nfs/dbraw/zinc/78/26/19/945782619.db2.gz RQZZDWZFZBJYKW-UHFFFAOYSA-N -1 1 387.425 0.210 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)c1-c1nn[n-]n1 ZINC001571279537 945782973 /nfs/dbraw/zinc/78/29/73/945782973.db2.gz RKEYBZCURMULFX-MRVPVSSYSA-N -1 1 387.429 0.067 20 0 GCADMM CC1(C)CC[C@@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571279627 945783662 /nfs/dbraw/zinc/78/36/62/945783662.db2.gz WYNHTMFLRJPMIF-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC[C@@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571279627 945783673 /nfs/dbraw/zinc/78/36/73/945783673.db2.gz WYNHTMFLRJPMIF-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)CC2CCOCC2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571279664 945784824 /nfs/dbraw/zinc/78/48/24/945784824.db2.gz XSZBNQUJSWKZLB-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)CC2CCOCC2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571279664 945784834 /nfs/dbraw/zinc/78/48/34/945784834.db2.gz XSZBNQUJSWKZLB-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CCOC1CC(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571279659 945785221 /nfs/dbraw/zinc/78/52/21/945785221.db2.gz XSOZRPODPUUBPW-MOKVOYLWSA-N -1 1 386.460 0.899 20 0 GCADMM CCOC1CC(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571279659 945785224 /nfs/dbraw/zinc/78/52/24/945785224.db2.gz XSOZRPODPUUBPW-MOKVOYLWSA-N -1 1 386.460 0.899 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)sn1 ZINC001571279830 945788111 /nfs/dbraw/zinc/78/81/11/945788111.db2.gz XIOZJPFTGYGZJE-VIFPVBQESA-N -1 1 387.429 0.521 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)sn1 ZINC001571279830 945788117 /nfs/dbraw/zinc/78/81/17/945788117.db2.gz XIOZJPFTGYGZJE-VIFPVBQESA-N -1 1 387.429 0.521 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1csc(=O)[nH]1 ZINC001571279806 945788358 /nfs/dbraw/zinc/78/83/58/945788358.db2.gz WKMHOIQXSBCOFJ-DTWKUNHWSA-N -1 1 387.429 0.251 20 0 GCADMM O=C(NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1csc(=O)[nH]1 ZINC001571279807 945789423 /nfs/dbraw/zinc/78/94/23/945789423.db2.gz WLBHDDCRWVKOTB-UHFFFAOYSA-N -1 1 387.429 0.465 20 0 GCADMM O=C(NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1csc(=O)[nH]1 ZINC001571279807 945789432 /nfs/dbraw/zinc/78/94/32/945789432.db2.gz WLBHDDCRWVKOTB-UHFFFAOYSA-N -1 1 387.429 0.465 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)s1 ZINC001571279901 945790295 /nfs/dbraw/zinc/79/02/95/945790295.db2.gz ZBCNKDMBDLWTMU-JTQLQIEISA-N -1 1 387.429 0.057 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)s1 ZINC001571279901 945790300 /nfs/dbraw/zinc/79/03/00/945790300.db2.gz ZBCNKDMBDLWTMU-JTQLQIEISA-N -1 1 387.429 0.057 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001571279932 945790751 /nfs/dbraw/zinc/79/07/51/945790751.db2.gz ZSTPULZFPUXYRF-IUCAKERBSA-N -1 1 387.429 0.203 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C1CCC1 ZINC001571279960 945792330 /nfs/dbraw/zinc/79/23/30/945792330.db2.gz YGIWEIOBKFQOIN-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1cccnc1-c1nn[n-]n1 ZINC001571279945 945793187 /nfs/dbraw/zinc/79/31/87/945793187.db2.gz ZXCWGWUEODOQJN-CHWSQXEVSA-N -1 1 387.425 0.855 20 0 GCADMM CC[C@H](OC)C(=O)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571280016 945795449 /nfs/dbraw/zinc/79/54/49/945795449.db2.gz ZOLKVCKDVUDBSG-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)n(C)n1 ZINC001571281292 945800365 /nfs/dbraw/zinc/80/03/65/945800365.db2.gz GHUBUOUWNKIKFR-LLVKDONJSA-N -1 1 387.473 0.936 20 0 GCADMM Cn1cccc1C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571281943 945821400 /nfs/dbraw/zinc/82/14/00/945821400.db2.gz PWHAKORQVKHDBE-LBPRGKRZSA-N -1 1 387.469 0.898 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(CCN1CCOCC1)CC1CC1 ZINC001571282107 945826868 /nfs/dbraw/zinc/82/68/68/945826868.db2.gz CZSNTLZRCKLGJH-UHFFFAOYSA-N -1 1 387.444 0.460 20 0 GCADMM CC(=O)N1CCN([C@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)CC1 ZINC001573451123 945831354 /nfs/dbraw/zinc/83/13/54/945831354.db2.gz RHDMYQYXIGYTCI-JTQLQIEISA-N -1 1 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CC(=O)N[C@@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573452660 945853214 /nfs/dbraw/zinc/85/32/14/945853214.db2.gz GUJVRZXMLVKHHE-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573452660 945853229 /nfs/dbraw/zinc/85/32/29/945853229.db2.gz GUJVRZXMLVKHHE-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573452914 945856177 /nfs/dbraw/zinc/85/61/77/945856177.db2.gz IZHNCOYNJVHIDP-BMIGLBTASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573452914 945856182 /nfs/dbraw/zinc/85/61/82/945856182.db2.gz IZHNCOYNJVHIDP-BMIGLBTASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453519 945858593 /nfs/dbraw/zinc/85/85/93/945858593.db2.gz LKSKUWCCXNFSOX-QLJPJBMISA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453519 945858606 /nfs/dbraw/zinc/85/86/06/945858606.db2.gz LKSKUWCCXNFSOX-QLJPJBMISA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453285 945860287 /nfs/dbraw/zinc/86/02/87/945860287.db2.gz KULYHOBZRPGZCE-GTNSWQLSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453285 945860301 /nfs/dbraw/zinc/86/03/01/945860301.db2.gz KULYHOBZRPGZCE-GTNSWQLSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453603 945863807 /nfs/dbraw/zinc/86/38/07/945863807.db2.gz MQWCJZLZPVBRND-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453603 945863813 /nfs/dbraw/zinc/86/38/13/945863813.db2.gz MQWCJZLZPVBRND-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC001573453803 945866969 /nfs/dbraw/zinc/86/69/69/945866969.db2.gz QQTMZCILCFBQDH-MRXNPFEDSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC001573453803 945866979 /nfs/dbraw/zinc/86/69/79/945866979.db2.gz QQTMZCILCFBQDH-MRXNPFEDSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573454003 945872105 /nfs/dbraw/zinc/87/21/05/945872105.db2.gz SXPHONGYLJOWFP-DIFFPNOSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573454003 945872116 /nfs/dbraw/zinc/87/21/16/945872116.db2.gz SXPHONGYLJOWFP-DIFFPNOSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573454280 945874614 /nfs/dbraw/zinc/87/46/14/945874614.db2.gz VTXTUTGAJIAJMS-BMIGLBTASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573454280 945874626 /nfs/dbraw/zinc/87/46/26/945874626.db2.gz VTXTUTGAJIAJMS-BMIGLBTASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573454281 945874858 /nfs/dbraw/zinc/87/48/58/945874858.db2.gz VTXTUTGAJIAJMS-BONVTDFDSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573454281 945874867 /nfs/dbraw/zinc/87/48/67/945874867.db2.gz VTXTUTGAJIAJMS-BONVTDFDSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573454329 945875056 /nfs/dbraw/zinc/87/50/56/945875056.db2.gz XTKLYGYRUQWJSF-PXAZEXFGSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573454329 945875067 /nfs/dbraw/zinc/87/50/67/945875067.db2.gz XTKLYGYRUQWJSF-PXAZEXFGSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573455529 945881216 /nfs/dbraw/zinc/88/12/16/945881216.db2.gz DGXVXFLWEPOYEK-JQWIXIFHSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573455529 945881226 /nfs/dbraw/zinc/88/12/26/945881226.db2.gz DGXVXFLWEPOYEK-JQWIXIFHSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573455579 945884030 /nfs/dbraw/zinc/88/40/30/945884030.db2.gz FHAORRZRALMMHK-KRWDZBQOSA-N -1 1 389.464 0.068 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573455579 945884042 /nfs/dbraw/zinc/88/40/42/945884042.db2.gz FHAORRZRALMMHK-KRWDZBQOSA-N -1 1 389.464 0.068 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001573456461 945894038 /nfs/dbraw/zinc/89/40/38/945894038.db2.gz KXMCFFMBEVGMBL-ZYHUDNBSSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001573456461 945894055 /nfs/dbraw/zinc/89/40/55/945894055.db2.gz KXMCFFMBEVGMBL-ZYHUDNBSSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573456552 945895659 /nfs/dbraw/zinc/89/56/59/945895659.db2.gz LKTFKXBHRGZLBF-JKDFXYPNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573456552 945895674 /nfs/dbraw/zinc/89/56/74/945895674.db2.gz LKTFKXBHRGZLBF-JKDFXYPNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573456635 945896732 /nfs/dbraw/zinc/89/67/32/945896732.db2.gz NSSDQFQFINTUHB-PWSUYJOCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573456635 945896741 /nfs/dbraw/zinc/89/67/41/945896741.db2.gz NSSDQFQFINTUHB-PWSUYJOCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573456615 945896766 /nfs/dbraw/zinc/89/67/66/945896766.db2.gz NFZWDGAMMGEISY-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573456615 945896774 /nfs/dbraw/zinc/89/67/74/945896774.db2.gz NFZWDGAMMGEISY-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573456633 945896790 /nfs/dbraw/zinc/89/67/90/945896790.db2.gz NSSDQFQFINTUHB-CMPLNLGQSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573456633 945896798 /nfs/dbraw/zinc/89/67/98/945896798.db2.gz NSSDQFQFINTUHB-CMPLNLGQSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573456822 945899337 /nfs/dbraw/zinc/89/93/37/945899337.db2.gz PJRKGZMTMHABHC-UHFFFAOYSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573456822 945899341 /nfs/dbraw/zinc/89/93/41/945899341.db2.gz PJRKGZMTMHABHC-UHFFFAOYSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573456989 945899484 /nfs/dbraw/zinc/89/94/84/945899484.db2.gz RHOWBOULHLXYMK-APPDUMDISA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573456989 945899490 /nfs/dbraw/zinc/89/94/90/945899490.db2.gz RHOWBOULHLXYMK-APPDUMDISA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573456919 945900047 /nfs/dbraw/zinc/90/00/47/945900047.db2.gz QBDBTGSTMXXKDO-LBPRGKRZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573456919 945900058 /nfs/dbraw/zinc/90/00/58/945900058.db2.gz QBDBTGSTMXXKDO-LBPRGKRZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573456916 945900959 /nfs/dbraw/zinc/90/09/59/945900959.db2.gz QBCIPVALALHYLE-BWACUDIHSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573456916 945900965 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CC(=O)N[C@H](C)C(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573470428 946025444 /nfs/dbraw/zinc/02/54/44/946025444.db2.gz FDGXFUNNCVEDFA-YPMHNXCESA-N -1 1 387.448 0.140 20 0 GCADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3cn(C)nn3)CC2)c1-c1nn[n-]n1 ZINC001571290017 946025530 /nfs/dbraw/zinc/02/55/30/946025530.db2.gz SPMDBCOFERTNJF-MGCOHNPYSA-N -1 1 388.461 0.913 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573470506 946028686 /nfs/dbraw/zinc/02/86/86/946028686.db2.gz GBZXZEHQWBJOFT-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573470506 946028697 /nfs/dbraw/zinc/02/86/97/946028697.db2.gz GBZXZEHQWBJOFT-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573470577 946029632 /nfs/dbraw/zinc/02/96/32/946029632.db2.gz HEEJENSEQJOYKA-ONGXEEELSA-N -1 1 378.462 0.417 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cccn3C)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571290136 946031166 /nfs/dbraw/zinc/03/11/66/946031166.db2.gz VWYFQEXLSBPYIW-PWSUYJOCSA-N -1 1 388.457 0.340 20 0 GCADMM Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)c1[O-] ZINC001571290210 946031476 /nfs/dbraw/zinc/03/14/76/946031476.db2.gz XPDMFMNSKCGQBY-SNVBAGLBSA-N -1 1 388.457 0.917 20 0 GCADMM Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)c1[O-] ZINC001571290210 946031486 /nfs/dbraw/zinc/03/14/86/946031486.db2.gz XPDMFMNSKCGQBY-SNVBAGLBSA-N -1 1 388.457 0.917 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573470655 946032995 /nfs/dbraw/zinc/03/29/95/946032995.db2.gz IJKXYUJHZIVFGW-DGCLKSJQSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573470655 946033010 /nfs/dbraw/zinc/03/30/10/946033010.db2.gz IJKXYUJHZIVFGW-DGCLKSJQSA-N -1 1 387.448 0.140 20 0 GCADMM CCC(C)(C)C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290264 946033883 /nfs/dbraw/zinc/03/38/83/946033883.db2.gz YVYPJHIIMNLLPJ-ZDUSSCGKSA-N -1 1 388.476 0.883 20 0 GCADMM CCn1ncc(Cl)c1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290313 946040266 /nfs/dbraw/zinc/04/02/66/946040266.db2.gz AHACZJYXUDIDPK-KYZUINATSA-N -1 1 388.823 0.899 20 0 GCADMM CCn1ncc(Cl)c1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290313 946040277 /nfs/dbraw/zinc/04/02/77/946040277.db2.gz AHACZJYXUDIDPK-KYZUINATSA-N -1 1 388.823 0.899 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573471031 946043653 /nfs/dbraw/zinc/04/36/53/946043653.db2.gz LTQLODJKJZZGSC-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573471031 946043664 /nfs/dbraw/zinc/04/36/64/946043664.db2.gz LTQLODJKJZZGSC-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573471338 946046019 /nfs/dbraw/zinc/04/60/19/946046019.db2.gz NUQWZSLPKOVIGA-PWSUYJOCSA-N -1 1 392.489 0.583 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1Cl ZINC001571290577 946046990 /nfs/dbraw/zinc/04/69/90/946046990.db2.gz JCZWNNIUKYNAPB-VIFPVBQESA-N -1 1 388.823 0.618 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1Cl ZINC001571290577 946047003 /nfs/dbraw/zinc/04/70/03/946047003.db2.gz JCZWNNIUKYNAPB-VIFPVBQESA-N -1 1 388.823 0.618 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573471337 946047649 /nfs/dbraw/zinc/04/76/49/946047649.db2.gz NUQWZSLPKOVIGA-JQWIXIFHSA-N -1 1 392.489 0.583 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571290582 946048547 /nfs/dbraw/zinc/04/85/47/946048547.db2.gz JFIASGZBBJSZFH-WPRPVWTQSA-N -1 1 388.823 0.616 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571290582 946048561 /nfs/dbraw/zinc/04/85/61/946048561.db2.gz JFIASGZBBJSZFH-WPRPVWTQSA-N -1 1 388.823 0.616 20 0 GCADMM CN(C(=O)Cn1cc(Cl)cn1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571290656 946049598 /nfs/dbraw/zinc/04/95/98/946049598.db2.gz KXAQXXAUEDYLMG-NSHDSACASA-N -1 1 388.823 0.244 20 0 GCADMM CN(C(=O)Cn1cc(Cl)cn1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571290656 946049609 /nfs/dbraw/zinc/04/96/09/946049609.db2.gz KXAQXXAUEDYLMG-NSHDSACASA-N -1 1 388.823 0.244 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573471663 946053401 /nfs/dbraw/zinc/05/34/01/946053401.db2.gz QEGIPIDBVMLBQX-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573471663 946053411 /nfs/dbraw/zinc/05/34/11/946053411.db2.gz QEGIPIDBVMLBQX-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573471639 946053550 /nfs/dbraw/zinc/05/35/50/946053550.db2.gz PXJUXRNYBFTWCP-JTQLQIEISA-N -1 1 392.489 0.949 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571290729 946054455 /nfs/dbraw/zinc/05/44/55/946054455.db2.gz NKJDOKOSGYQILA-SECBINFHSA-N -1 1 388.823 0.659 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571290729 946054467 /nfs/dbraw/zinc/05/44/67/946054467.db2.gz NKJDOKOSGYQILA-SECBINFHSA-N -1 1 388.823 0.659 20 0 GCADMM Cn1nc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1Cl ZINC001571290720 946054532 /nfs/dbraw/zinc/05/45/32/946054532.db2.gz NEGHHLJIRBIYEN-VIFPVBQESA-N -1 1 388.823 0.618 20 0 GCADMM Cn1nc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1Cl ZINC001571290720 946054544 /nfs/dbraw/zinc/05/45/44/946054544.db2.gz NEGHHLJIRBIYEN-VIFPVBQESA-N -1 1 388.823 0.618 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001571290777 946057199 /nfs/dbraw/zinc/05/71/99/946057199.db2.gz OLFWQIXIFAISKD-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001571290777 946057211 /nfs/dbraw/zinc/05/72/11/946057211.db2.gz OLFWQIXIFAISKD-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM Cn1c(Cl)ncc1C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290892 946059035 /nfs/dbraw/zinc/05/90/35/946059035.db2.gz SPVUDMUSVHTYBV-UHFFFAOYSA-N -1 1 388.823 0.664 20 0 GCADMM Cn1c(Cl)ncc1C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290892 946059045 /nfs/dbraw/zinc/05/90/45/946059045.db2.gz SPVUDMUSVHTYBV-UHFFFAOYSA-N -1 1 388.823 0.664 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573472119 946059708 /nfs/dbraw/zinc/05/97/08/946059708.db2.gz SNOPXEUIEPVLKY-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573472119 946059721 /nfs/dbraw/zinc/05/97/21/946059721.db2.gz SNOPXEUIEPVLKY-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM Cn1cc(Cl)c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571290981 946061540 /nfs/dbraw/zinc/06/15/40/946061540.db2.gz WPVYYKWUACJRAH-VIFPVBQESA-N -1 1 388.823 0.442 20 0 GCADMM Cn1cc(Cl)c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571290981 946061554 /nfs/dbraw/zinc/06/15/54/946061554.db2.gz WPVYYKWUACJRAH-VIFPVBQESA-N -1 1 388.823 0.442 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)n(C)n2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571290991 946061748 /nfs/dbraw/zinc/06/17/48/946061748.db2.gz WYYXRULLHYRIDH-BDAKNGLRSA-N -1 1 388.823 0.441 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)n(C)n2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571290991 946061761 /nfs/dbraw/zinc/06/17/61/946061761.db2.gz WYYXRULLHYRIDH-BDAKNGLRSA-N -1 1 388.823 0.441 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 ZINC001571291048 946067107 /nfs/dbraw/zinc/06/71/07/946067107.db2.gz ZJGCNRWYUSRQKV-LLVKDONJSA-N -1 1 388.823 0.244 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573472707 946071648 /nfs/dbraw/zinc/07/16/48/946071648.db2.gz XTTUXVBHEYXWQZ-SNVBAGLBSA-N -1 1 392.489 0.583 20 0 GCADMM COc1ncc(NC(=O)NCc2cc(=O)[n-]c(SC)n2)cc1-c1nn[nH]n1 ZINC001571291327 946076299 /nfs/dbraw/zinc/07/62/99/946076299.db2.gz IHPMOKZVFFITGA-UHFFFAOYSA-N -1 1 389.401 0.810 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001571291645 946081339 /nfs/dbraw/zinc/08/13/39/946081339.db2.gz NSGBPMKLXAWDLT-CYBMUJFWSA-N -1 1 389.416 0.514 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001571291645 946081348 /nfs/dbraw/zinc/08/13/48/946081348.db2.gz NSGBPMKLXAWDLT-CYBMUJFWSA-N -1 1 389.416 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573474367 946092496 /nfs/dbraw/zinc/09/24/96/946092496.db2.gz KXYGTPRINBZEFM-XXFAHNHDSA-N -1 1 392.489 0.853 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573474797 946094314 /nfs/dbraw/zinc/09/43/14/946094314.db2.gz NSEQDVPDBVEWPG-NKWVEPMBSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573475473 946103282 /nfs/dbraw/zinc/10/32/82/946103282.db2.gz ULGAGXXWJKWSHD-NQBHXWOUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573475473 946103290 /nfs/dbraw/zinc/10/32/90/946103290.db2.gz ULGAGXXWJKWSHD-NQBHXWOUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573475749 946105124 /nfs/dbraw/zinc/10/51/24/946105124.db2.gz AJMXVJATDFPOKE-NKWVEPMBSA-N -1 1 386.869 0.665 20 0 GCADMM Cc1nonc1CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571293704 946112744 /nfs/dbraw/zinc/11/27/44/946112744.db2.gz PPDRIIRVEJGUEH-SNVBAGLBSA-N -1 1 389.445 0.651 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573476750 946125848 /nfs/dbraw/zinc/12/58/48/946125848.db2.gz JFCHRGQHMSOWDJ-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573476750 946125856 /nfs/dbraw/zinc/12/58/56/946125856.db2.gz JFCHRGQHMSOWDJ-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573476903 946128053 /nfs/dbraw/zinc/12/80/53/946128053.db2.gz KUQDDXDVGGYVMG-RNFRBKRXSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573476903 946128056 /nfs/dbraw/zinc/12/80/56/946128056.db2.gz KUQDDXDVGGYVMG-RNFRBKRXSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573476902 946128260 /nfs/dbraw/zinc/12/82/60/946128260.db2.gz KUQDDXDVGGYVMG-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573476902 946128264 /nfs/dbraw/zinc/12/82/64/946128264.db2.gz KUQDDXDVGGYVMG-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)CC(C)C ZINC001573477339 946131664 /nfs/dbraw/zinc/13/16/64/946131664.db2.gz OTTQDLNTOJVYNX-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)CC(C)C ZINC001573477339 946131668 /nfs/dbraw/zinc/13/16/68/946131668.db2.gz OTTQDLNTOJVYNX-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM O=S(=O)(NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(-c2nnn[n-]2)s1 ZINC001571294311 946132468 /nfs/dbraw/zinc/13/24/68/946132468.db2.gz FEANOWUFCROGEK-CBLAIPOGSA-N -1 1 389.484 0.315 20 0 GCADMM O=S(=O)(NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(-c2nn[n-]n2)s1 ZINC001571294311 946132475 /nfs/dbraw/zinc/13/24/75/946132475.db2.gz FEANOWUFCROGEK-CBLAIPOGSA-N -1 1 389.484 0.315 20 0 GCADMM O=C(c1cc(C(F)F)n[nH]1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571294797 946146316 /nfs/dbraw/zinc/14/63/16/946146316.db2.gz MFWFJXCDRWDCEQ-QMMMGPOBSA-N -1 1 390.358 0.456 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571294995 946149932 /nfs/dbraw/zinc/14/99/32/946149932.db2.gz MZPYCHOIUFUOSR-VIFPVBQESA-N -1 1 389.807 0.897 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571294995 946149945 /nfs/dbraw/zinc/14/99/45/946149945.db2.gz MZPYCHOIUFUOSR-VIFPVBQESA-N -1 1 389.807 0.897 20 0 GCADMM C[C@@H](Cc1ccccc1Cl)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571295067 946152623 /nfs/dbraw/zinc/15/26/23/946152623.db2.gz OMEPVYHISPPNOT-VIFPVBQESA-N -1 1 389.803 0.530 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571295345 946161246 /nfs/dbraw/zinc/16/12/46/946161246.db2.gz YMAWYSIJKAYVKL-JTQLQIEISA-N -1 1 390.358 0.387 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573479578 946162807 /nfs/dbraw/zinc/16/28/07/946162807.db2.gz FMLCISNRSZHRKF-PWSUYJOCSA-N -1 1 392.489 0.489 20 0 GCADMM CC[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001571295793 946174283 /nfs/dbraw/zinc/17/42/83/946174283.db2.gz GFLHGXFDCXSZBI-ZDUSSCGKSA-N -1 1 390.448 0.787 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)C2(CF)CCC2)CCO1 ZINC001571295778 946174514 /nfs/dbraw/zinc/17/45/14/946174514.db2.gz FWCXEAMBPWNLJR-YPMHNXCESA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2(CF)CCC2)CCO1 ZINC001571295778 946174524 /nfs/dbraw/zinc/17/45/24/946174524.db2.gz FWCXEAMBPWNLJR-YPMHNXCESA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295859 946176453 /nfs/dbraw/zinc/17/64/53/946176453.db2.gz HRHKPHMGWKJNPE-VXGBXAGGSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295859 946176464 /nfs/dbraw/zinc/17/64/64/946176464.db2.gz HRHKPHMGWKJNPE-VXGBXAGGSA-N -1 1 390.423 0.824 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571295912 946178735 /nfs/dbraw/zinc/17/87/35/946178735.db2.gz JCVXQRUQOAYHME-HSOHIQCKSA-N -1 1 390.423 0.289 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571295912 946178736 /nfs/dbraw/zinc/17/87/36/946178736.db2.gz JCVXQRUQOAYHME-HSOHIQCKSA-N -1 1 390.423 0.289 20 0 GCADMM O=C(c1sccc1F)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571295957 946180573 /nfs/dbraw/zinc/18/05/73/946180573.db2.gz KHDHZMRWMRWNCO-VIFPVBQESA-N -1 1 390.404 0.810 20 0 GCADMM O=C(c1sccc1F)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571295957 946180580 /nfs/dbraw/zinc/18/05/80/946180580.db2.gz KHDHZMRWMRWNCO-VIFPVBQESA-N -1 1 390.404 0.810 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573481074 946180964 /nfs/dbraw/zinc/18/09/64/946180964.db2.gz NTUAHALBFYOSMD-ZWNOBZJWSA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573481074 946180966 /nfs/dbraw/zinc/18/09/66/946180966.db2.gz NTUAHALBFYOSMD-ZWNOBZJWSA-N -1 1 375.437 0.042 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@@]3(F)CCOC3)[C@H]2C)n1 ZINC001571296115 946185257 /nfs/dbraw/zinc/18/52/57/946185257.db2.gz OIPIDFJVMQSIKX-VGTOOOLASA-N -1 1 390.423 0.431 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@@]3(F)CCOC3)[C@H]2C)n1 ZINC001571296115 946185264 /nfs/dbraw/zinc/18/52/64/946185264.db2.gz OIPIDFJVMQSIKX-VGTOOOLASA-N -1 1 390.423 0.431 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571296416 946193383 /nfs/dbraw/zinc/19/33/83/946193383.db2.gz XIISXMJWLBWUAW-NEPJUHHUSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571296416 946193391 /nfs/dbraw/zinc/19/33/91/946193391.db2.gz XIISXMJWLBWUAW-NEPJUHHUSA-N -1 1 390.423 0.649 20 0 GCADMM CCc1nc(NCC2CC(NC(=O)[C@]3(F)CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571296391 946194729 /nfs/dbraw/zinc/19/47/29/946194729.db2.gz WXTBCOSEAFLRBO-IGCAFJPESA-N -1 1 390.423 0.654 20 0 GCADMM CCc1nc(NCC2CC(NC(=O)[C@]3(F)CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571296391 946194738 /nfs/dbraw/zinc/19/47/38/946194738.db2.gz WXTBCOSEAFLRBO-IGCAFJPESA-N -1 1 390.423 0.654 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001571296443 946194858 /nfs/dbraw/zinc/19/48/58/946194858.db2.gz YGEBPYCIXNLANT-APPDUMDISA-N -1 1 390.423 0.506 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001571296443 946194865 /nfs/dbraw/zinc/19/48/65/946194865.db2.gz YGEBPYCIXNLANT-APPDUMDISA-N -1 1 390.423 0.506 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571296519 946196308 /nfs/dbraw/zinc/19/63/08/946196308.db2.gz ZXBYYUZUQNPAQW-PBHICJAKSA-N -1 1 390.423 0.459 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571296519 946196312 /nfs/dbraw/zinc/19/63/12/946196312.db2.gz ZXBYYUZUQNPAQW-PBHICJAKSA-N -1 1 390.423 0.459 20 0 GCADMM NC(=O)[C@H]1CC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])=NN1c1ccccc1 ZINC000822860471 946205792 /nfs/dbraw/zinc/20/57/92/946205792.db2.gz VXEZAGNQBMMSKU-CQSZACIVSA-N -1 1 392.379 0.631 20 0 GCADMM Cc1nsc(N2CCC[C@@H](NC(=O)CN3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC001571298219 946207962 /nfs/dbraw/zinc/20/79/62/946207962.db2.gz KDTHSQVGVMLKLN-LLVKDONJSA-N -1 1 390.473 0.339 20 0 GCADMM O=C([C@H]1CCOC1)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571298420 946217400 /nfs/dbraw/zinc/21/74/00/946217400.db2.gz NLNBGUONTAUZIK-LBPRGKRZSA-N -1 1 390.469 0.378 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573485390 946225269 /nfs/dbraw/zinc/22/52/69/946225269.db2.gz RPOBKGUMHPWTRN-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573485390 946225278 /nfs/dbraw/zinc/22/52/78/946225278.db2.gz RPOBKGUMHPWTRN-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573485682 946230366 /nfs/dbraw/zinc/23/03/66/946230366.db2.gz XEWOCJZQDXZYIQ-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573485682 946230374 /nfs/dbraw/zinc/23/03/74/946230374.db2.gz XEWOCJZQDXZYIQ-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1occc1Cl ZINC001571298806 946230899 /nfs/dbraw/zinc/23/08/99/946230899.db2.gz DREVYFPUKITMJK-ONGXEEELSA-N -1 1 390.791 0.273 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1occc1Cl ZINC001571298806 946230911 /nfs/dbraw/zinc/23/09/11/946230911.db2.gz DREVYFPUKITMJK-ONGXEEELSA-N -1 1 390.791 0.273 20 0 GCADMM Cc1nsc(N2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571298929 946232440 /nfs/dbraw/zinc/23/24/40/946232440.db2.gz RTINOVWZDKABSL-ZJUUUORDSA-N -1 1 390.473 0.241 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573485971 946235681 /nfs/dbraw/zinc/23/56/81/946235681.db2.gz ZDYSZYAVIXEWID-NSHDSACASA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573485971 946235693 /nfs/dbraw/zinc/23/56/93/946235693.db2.gz ZDYSZYAVIXEWID-NSHDSACASA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573486649 946243320 /nfs/dbraw/zinc/24/33/20/946243320.db2.gz HYGALCFECWVSTH-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573486649 946243331 /nfs/dbraw/zinc/24/33/31/946243331.db2.gz HYGALCFECWVSTH-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM Cc1nsc(N2CC[C@H](CNC(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571299282 946245473 /nfs/dbraw/zinc/24/54/73/946245473.db2.gz VKPGLIZHFOIJLE-MNOVXSKESA-N -1 1 390.473 0.100 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488522 946266955 /nfs/dbraw/zinc/26/69/55/946266955.db2.gz AXDBMZZNKBONQN-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CO[C@H](C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001571299965 946267123 /nfs/dbraw/zinc/26/71/23/946267123.db2.gz WVDNJBPCFNBBHB-OCCSQVGLSA-N -1 1 390.448 0.275 20 0 GCADMM CO[C@H](C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001571299965 946267134 /nfs/dbraw/zinc/26/71/34/946267134.db2.gz WVDNJBPCFNBBHB-OCCSQVGLSA-N -1 1 390.448 0.275 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488616 946269185 /nfs/dbraw/zinc/26/91/85/946269185.db2.gz GAKHDSJVULJGBZ-NSHDSACASA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488616 946269198 /nfs/dbraw/zinc/26/91/98/946269198.db2.gz GAKHDSJVULJGBZ-NSHDSACASA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001573488600 946269271 /nfs/dbraw/zinc/26/92/71/946269271.db2.gz FGWXDDQVXZNMDD-CQSZACIVSA-N -1 1 379.384 0.514 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488568 946269964 /nfs/dbraw/zinc/26/99/64/946269964.db2.gz DFTAHTNCXVZLAG-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488568 946269974 /nfs/dbraw/zinc/26/99/74/946269974.db2.gz DFTAHTNCXVZLAG-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488662 946271223 /nfs/dbraw/zinc/27/12/23/946271223.db2.gz HVFMBWZHCWSTNX-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488662 946271231 /nfs/dbraw/zinc/27/12/31/946271231.db2.gz HVFMBWZHCWSTNX-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1occc1Cl ZINC001571300118 946272335 /nfs/dbraw/zinc/27/23/35/946272335.db2.gz VJDSNFRFMBKMIG-VIFPVBQESA-N -1 1 390.791 0.538 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1occc1Cl ZINC001571300118 946272349 /nfs/dbraw/zinc/27/23/49/946272349.db2.gz VJDSNFRFMBKMIG-VIFPVBQESA-N -1 1 390.791 0.538 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573488807 946277837 /nfs/dbraw/zinc/27/78/37/946277837.db2.gz MRUXDPBEVNCXMF-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573488807 946277849 /nfs/dbraw/zinc/27/78/49/946277849.db2.gz MRUXDPBEVNCXMF-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573488867 946280685 /nfs/dbraw/zinc/28/06/85/946280685.db2.gz OLYJFSSJKCALDQ-TXEJJXNPSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573488867 946280693 /nfs/dbraw/zinc/28/06/93/946280693.db2.gz OLYJFSSJKCALDQ-TXEJJXNPSA-N -1 1 385.432 0.165 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ocnc2C(F)F)C1 ZINC001571301720 946280789 /nfs/dbraw/zinc/28/07/89/946280789.db2.gz BAQPQTLUVUBHPK-MRVPVSSYSA-N -1 1 391.342 0.933 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ocnc1C(F)F ZINC001571302212 946295086 /nfs/dbraw/zinc/29/50/86/946295086.db2.gz RLLBTUDMHYXXIX-MRVPVSSYSA-N -1 1 391.342 0.981 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573494347 946299604 /nfs/dbraw/zinc/29/96/04/946299604.db2.gz LDGCQEBVCZESKA-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573494347 946299615 /nfs/dbraw/zinc/29/96/15/946299615.db2.gz LDGCQEBVCZESKA-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N(C)c1ccnc(C(N)=O)c1 ZINC001571302517 946305373 /nfs/dbraw/zinc/30/53/73/946305373.db2.gz ZYLCPMKFWZWPEC-UHFFFAOYSA-N -1 1 391.388 0.633 20 0 GCADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCc2cccnc21 ZINC001571302537 946306084 /nfs/dbraw/zinc/30/60/84/946306084.db2.gz AKZQARZMKDYIBE-ZIAGYGMSSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCc2cccnc21 ZINC001571302537 946306095 /nfs/dbraw/zinc/30/60/95/946306095.db2.gz AKZQARZMKDYIBE-ZIAGYGMSSA-N -1 1 391.439 0.867 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571302559 946308490 /nfs/dbraw/zinc/30/84/90/946308490.db2.gz BEZDGGNZYGFWKK-KGLIPLIRSA-N -1 1 391.439 0.870 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571302559 946308502 /nfs/dbraw/zinc/30/85/02/946308502.db2.gz BEZDGGNZYGFWKK-KGLIPLIRSA-N -1 1 391.439 0.870 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573495782 946315683 /nfs/dbraw/zinc/31/56/83/946315683.db2.gz SNFVOLVDWAANAB-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573495782 946315693 /nfs/dbraw/zinc/31/56/93/946315693.db2.gz SNFVOLVDWAANAB-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2cccnc21 ZINC001571302836 946315911 /nfs/dbraw/zinc/31/59/11/946315911.db2.gz HDNOQOPRPCEEIC-KWCYVHTRSA-N -1 1 391.439 0.510 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@H]3Cc4cccnc4C3)C2)n1 ZINC001571303155 946325914 /nfs/dbraw/zinc/32/59/14/946325914.db2.gz ITVXYYIPTREKBH-UONOGXRCSA-N -1 1 391.439 0.470 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@H]3Cc4cccnc4C3)C2)n1 ZINC001571303155 946325925 /nfs/dbraw/zinc/32/59/25/946325925.db2.gz ITVXYYIPTREKBH-UONOGXRCSA-N -1 1 391.439 0.470 20 0 GCADMM Cc1cccnc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001571303443 946337543 /nfs/dbraw/zinc/33/75/43/946337543.db2.gz QZIDSPLBWXRHDY-YJYMSZOUSA-N -1 1 391.439 0.959 20 0 GCADMM Cc1cccnc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571303443 946337555 /nfs/dbraw/zinc/33/75/55/946337555.db2.gz QZIDSPLBWXRHDY-YJYMSZOUSA-N -1 1 391.439 0.959 20 0 GCADMM CC(=O)NC1CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC001573497047 946339846 /nfs/dbraw/zinc/33/98/46/946339846.db2.gz JFYPGEDIOICGPQ-UHFFFAOYSA-N -1 1 387.444 0.644 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)cc(C)n1 ZINC001571303619 946342970 /nfs/dbraw/zinc/34/29/70/946342970.db2.gz ULGSLDOXUWBTFD-GASCZTMLSA-N -1 1 391.439 0.877 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)cc(C)n1 ZINC001571303619 946342985 /nfs/dbraw/zinc/34/29/85/946342985.db2.gz ULGSLDOXUWBTFD-GASCZTMLSA-N -1 1 391.439 0.877 20 0 GCADMM O=C(CN1CCc2ccccc21)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303701 946344378 /nfs/dbraw/zinc/34/43/78/946344378.db2.gz VTHUDCYQDPSNDF-AWEZNQCLSA-N -1 1 391.439 0.414 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001571303685 946344919 /nfs/dbraw/zinc/34/49/19/946344919.db2.gz PITISENWWHDIEH-GMTAPVOTSA-N -1 1 391.436 0.439 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303751 946348707 /nfs/dbraw/zinc/34/87/07/946348707.db2.gz XAPOAVBTHBBVQT-UONOGXRCSA-N -1 1 391.439 0.292 20 0 GCADMM Cc1cnccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571303822 946349876 /nfs/dbraw/zinc/34/98/76/946349876.db2.gz YSNZRTJKSPPZDJ-ILXRZTDVSA-N -1 1 391.439 0.829 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001571303904 946351505 /nfs/dbraw/zinc/35/15/05/946351505.db2.gz SMVCPBJBDRQWPF-ZWKOTPCHSA-N -1 1 391.435 0.987 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001571303904 946351512 /nfs/dbraw/zinc/35/15/12/946351512.db2.gz SMVCPBJBDRQWPF-ZWKOTPCHSA-N -1 1 391.435 0.987 20 0 GCADMM CO[C@@H]1CCOC[C@H]1NC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001571303984 946354615 /nfs/dbraw/zinc/35/46/15/946354615.db2.gz UIGMQSWFALUFBO-CHWSQXEVSA-N -1 1 391.432 0.300 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C ZINC001571305906 946378318 /nfs/dbraw/zinc/37/83/18/946378318.db2.gz DANCROVNMAGRKD-LLVKDONJSA-N -1 1 391.457 0.658 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC001573501454 946380497 /nfs/dbraw/zinc/38/04/97/946380497.db2.gz OVTQDVIIAUNRNO-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC001573501454 946380504 /nfs/dbraw/zinc/38/05/04/946380504.db2.gz OVTQDVIIAUNRNO-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CCC(N2CCCNC2=O)CC1 ZINC001571306130 946386894 /nfs/dbraw/zinc/38/68/94/946386894.db2.gz HGQQNVIXLJGVJD-UHFFFAOYSA-N -1 1 391.461 0.413 20 0 GCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CCC(N2CCCNC2=O)CC1 ZINC001571306130 946386906 /nfs/dbraw/zinc/38/69/06/946386906.db2.gz HGQQNVIXLJGVJD-UHFFFAOYSA-N -1 1 391.461 0.413 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CC(=O)NC[C@@H]2C(C)(C)C)cc1-c1nn[n-]n1 ZINC001571306793 946412029 /nfs/dbraw/zinc/41/20/29/946412029.db2.gz QAYIVLHZIWHHKX-SNVBAGLBSA-N -1 1 391.457 0.676 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571307042 946415826 /nfs/dbraw/zinc/41/58/26/946415826.db2.gz UYQKKZPPBGGPGH-MNOVXSKESA-N -1 1 391.457 0.479 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573506293 946429971 /nfs/dbraw/zinc/42/99/71/946429971.db2.gz PDZJHZAOGSZJCO-QMMMGPOBSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573506293 946429976 /nfs/dbraw/zinc/42/99/76/946429976.db2.gz PDZJHZAOGSZJCO-QMMMGPOBSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573506350 946432848 /nfs/dbraw/zinc/43/28/48/946432848.db2.gz PXJZBFCTSJOIGP-UHFFFAOYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573506350 946432852 /nfs/dbraw/zinc/43/28/52/946432852.db2.gz PXJZBFCTSJOIGP-UHFFFAOYSA-N -1 1 384.853 0.516 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309551 946446883 /nfs/dbraw/zinc/44/68/83/946446883.db2.gz DCWPQOONQCJVKH-RISCZKNCSA-N -1 1 392.423 0.729 20 0 GCADMM O=S(=O)([N-][C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(-c2nn[nH]n2)cn1 ZINC001571309638 946448552 /nfs/dbraw/zinc/44/85/52/946448552.db2.gz GHTBRDRMYRONST-LLVKDONJSA-N -1 1 392.422 0.069 20 0 GCADMM C[C@@H]1Cc2cc(C(=O)N3CCN(c4cncc(-c5nnn[n-]5)n4)CC3)ccc2O1 ZINC001571309681 946450460 /nfs/dbraw/zinc/45/04/60/946450460.db2.gz HQADMMRFSQXFFD-GFCCVEGCSA-N -1 1 392.423 0.943 20 0 GCADMM C[C@@H]1Cc2cc(C(=O)N3CCN(c4cncc(-c5nn[n-]n5)n4)CC3)ccc2O1 ZINC001571309681 946450469 /nfs/dbraw/zinc/45/04/69/946450469.db2.gz HQADMMRFSQXFFD-GFCCVEGCSA-N -1 1 392.423 0.943 20 0 GCADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2ccccc2O1 ZINC001571309754 946452461 /nfs/dbraw/zinc/45/24/61/946452461.db2.gz JOQYZWXBZWSGRZ-HGMXIMQMSA-N -1 1 392.423 0.389 20 0 GCADMM O=C(Cc1ccc2c(c1)CCO2)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309765 946453283 /nfs/dbraw/zinc/45/32/83/946453283.db2.gz KCPAVDFJAJYYCI-CQSZACIVSA-N -1 1 392.423 0.847 20 0 GCADMM O=C(Cc1ccc2c(c1)CCO2)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309765 946453290 /nfs/dbraw/zinc/45/32/90/946453290.db2.gz KCPAVDFJAJYYCI-CQSZACIVSA-N -1 1 392.423 0.847 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573508970 946458099 /nfs/dbraw/zinc/45/80/99/946458099.db2.gz CUXJBZJSNIJGSI-GFCCVEGCSA-N -1 1 392.489 0.951 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001571309974 946459007 /nfs/dbraw/zinc/45/90/07/946459007.db2.gz QXBZTOCRCZMMPP-GRDNDAEWSA-N -1 1 392.423 0.834 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001571309974 946459012 /nfs/dbraw/zinc/45/90/12/946459012.db2.gz QXBZTOCRCZMMPP-GRDNDAEWSA-N -1 1 392.423 0.834 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573509195 946460269 /nfs/dbraw/zinc/46/02/69/946460269.db2.gz GTOAHIXUJCPEDP-SKDRFNHKSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573509236 946460367 /nfs/dbraw/zinc/46/03/67/946460367.db2.gz IOMGTOQLNJHAFL-LBPRGKRZSA-N -1 1 392.489 0.951 20 0 GCADMM C[C@@]1(NC(=O)c2cccc3c2OCC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571310049 946461640 /nfs/dbraw/zinc/46/16/40/946461640.db2.gz SYZVQQFRFKGQBK-LJQANCHMSA-N -1 1 392.423 0.990 20 0 GCADMM O=C(N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)c1ccccc1O ZINC001571310260 946465349 /nfs/dbraw/zinc/46/53/49/946465349.db2.gz ZVULYLIOHMGTOW-UONOGXRCSA-N -1 1 392.423 0.937 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001573511340 946483527 /nfs/dbraw/zinc/48/35/27/946483527.db2.gz OIPKVRKGQTWECI-ZDUSSCGKSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001573511340 946483533 /nfs/dbraw/zinc/48/35/33/946483533.db2.gz OIPKVRKGQTWECI-ZDUSSCGKSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573511396 946485493 /nfs/dbraw/zinc/48/54/93/946485493.db2.gz PEHWPSAVJOXXAL-CABZTGNLSA-N -1 1 392.489 0.489 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cncnc1C1CC1 ZINC001571312375 946489157 /nfs/dbraw/zinc/48/91/57/946489157.db2.gz AYWMWKFWMMBMAW-GFCCVEGCSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cncnc1C1CC1 ZINC001571312375 946489162 /nfs/dbraw/zinc/48/91/62/946489162.db2.gz AYWMWKFWMMBMAW-GFCCVEGCSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cncnc1C1CC1 ZINC001571312390 946491221 /nfs/dbraw/zinc/49/12/21/946491221.db2.gz BNDVPWIHNAUHBE-UMSPYCQHSA-N -1 1 392.427 0.945 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cncnc1C1CC1 ZINC001571312390 946491230 /nfs/dbraw/zinc/49/12/30/946491230.db2.gz BNDVPWIHNAUHBE-UMSPYCQHSA-N -1 1 392.427 0.945 20 0 GCADMM Cc1cnc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nnn[n-]2)C3)cn1 ZINC001571312501 946493005 /nfs/dbraw/zinc/49/30/05/946493005.db2.gz GEULJHXEKCTRBS-SGTLLEGYSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1cnc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nn[n-]n2)C3)cn1 ZINC001571312501 946493014 /nfs/dbraw/zinc/49/30/14/946493014.db2.gz GEULJHXEKCTRBS-SGTLLEGYSA-N -1 1 392.427 0.544 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cncnc1C1CC1 ZINC001571312531 946494060 /nfs/dbraw/zinc/49/40/60/946494060.db2.gz GYGKZNHILRCMGE-GFCCVEGCSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cncnc1C1CC1 ZINC001571312531 946494067 /nfs/dbraw/zinc/49/40/67/946494067.db2.gz GYGKZNHILRCMGE-GFCCVEGCSA-N -1 1 392.427 0.723 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571312475 946494734 /nfs/dbraw/zinc/49/47/34/946494734.db2.gz FDLPSNXNQYWJCQ-LSDHHAIUSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571312475 946494737 /nfs/dbraw/zinc/49/47/37/946494737.db2.gz FDLPSNXNQYWJCQ-LSDHHAIUSA-N -1 1 392.427 0.639 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001573512464 946497782 /nfs/dbraw/zinc/49/77/82/946497782.db2.gz XBNSNBOZFCDOLC-CYBMUJFWSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573512464 946497791 /nfs/dbraw/zinc/49/77/91/946497791.db2.gz XBNSNBOZFCDOLC-CYBMUJFWSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C12CCC2 ZINC001573512365 946499032 /nfs/dbraw/zinc/49/90/32/946499032.db2.gz FHJAANGDNUCJRY-QWRGUYRKSA-N -1 1 390.473 0.607 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571312827 946503930 /nfs/dbraw/zinc/50/39/30/946503930.db2.gz KXSWBBYAVRRKBD-SWLSCSKDSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571312827 946503939 /nfs/dbraw/zinc/50/39/39/946503939.db2.gz KXSWBBYAVRRKBD-SWLSCSKDSA-N -1 1 392.427 0.496 20 0 GCADMM O=C(c1ccncn1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571312805 946504041 /nfs/dbraw/zinc/50/40/41/946504041.db2.gz KLDOPBDKJUFSEW-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccncn1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571312805 946504048 /nfs/dbraw/zinc/50/40/48/946504048.db2.gz KLDOPBDKJUFSEW-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM CN(C)c1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)ccn1 ZINC001571312940 946505870 /nfs/dbraw/zinc/50/58/70/946505870.db2.gz MJMJSJAZNGXSII-STQMWFEESA-N -1 1 392.427 0.221 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573513205 946507425 /nfs/dbraw/zinc/50/74/25/946507425.db2.gz LQCYTZGYVWSSFG-LDYMZIIASA-N -1 1 378.462 0.241 20 0 GCADMM Cc1nnccc1C(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571313073 946511009 /nfs/dbraw/zinc/51/10/09/946511009.db2.gz NADWVHNQTXYPRK-KBXCAEBGSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1nnccc1C(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571313073 946511013 /nfs/dbraw/zinc/51/10/13/946511013.db2.gz NADWVHNQTXYPRK-KBXCAEBGSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)n1 ZINC001571313114 946512213 /nfs/dbraw/zinc/51/22/13/946512213.db2.gz OGEAPKPROPZAQZ-OLZOCXBDSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)n1 ZINC001571313114 946512219 /nfs/dbraw/zinc/51/22/19/946512219.db2.gz OGEAPKPROPZAQZ-OLZOCXBDSA-N -1 1 392.427 0.908 20 0 GCADMM O=C(c1cn[nH]c1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571313118 946512653 /nfs/dbraw/zinc/51/26/53/946512653.db2.gz OJWLDVHFGHZSCF-ASEORRQLSA-N -1 1 392.427 0.367 20 0 GCADMM O=C(c1cn[nH]c1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571313118 946512669 /nfs/dbraw/zinc/51/26/69/946512669.db2.gz OJWLDVHFGHZSCF-ASEORRQLSA-N -1 1 392.427 0.367 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571313135 946514117 /nfs/dbraw/zinc/51/41/17/946514117.db2.gz OQXBPDFMOSJASA-CABCVRRESA-N -1 1 392.427 0.639 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571313135 946514124 /nfs/dbraw/zinc/51/41/24/946514124.db2.gz OQXBPDFMOSJASA-CABCVRRESA-N -1 1 392.427 0.639 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC3(CC(NC(=O)c4cccnn4)C3)C2)n1 ZINC001571313402 946520409 /nfs/dbraw/zinc/52/04/09/946520409.db2.gz QQNMHUDLDPTSQY-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC3(CC(NC(=O)c4cccnn4)C3)C2)n1 ZINC001571313402 946520419 /nfs/dbraw/zinc/52/04/19/946520419.db2.gz QQNMHUDLDPTSQY-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571313378 946521215 /nfs/dbraw/zinc/52/12/15/946521215.db2.gz QIAJPRFFVCWUEK-IMRBUKKESA-N -1 1 392.427 0.435 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571313378 946521223 /nfs/dbraw/zinc/52/12/23/946521223.db2.gz QIAJPRFFVCWUEK-IMRBUKKESA-N -1 1 392.427 0.435 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC001571313570 946525732 /nfs/dbraw/zinc/52/57/32/946525732.db2.gz RYMCFDWDJGUKDD-DOMZBBRYSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC001571313570 946525741 /nfs/dbraw/zinc/52/57/41/946525741.db2.gz RYMCFDWDJGUKDD-DOMZBBRYSA-N -1 1 392.427 0.578 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313701 946530324 /nfs/dbraw/zinc/53/03/24/946530324.db2.gz VNAKHJQUEFVSKM-OCCSQVGLSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)ncn1 ZINC001571313838 946534296 /nfs/dbraw/zinc/53/42/96/946534296.db2.gz WJGLVLQBERWRRT-CHWSQXEVSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)ncn1 ZINC001571313838 946534301 /nfs/dbraw/zinc/53/43/01/946534301.db2.gz WJGLVLQBERWRRT-CHWSQXEVSA-N -1 1 392.427 0.908 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823994166 946534628 /nfs/dbraw/zinc/53/46/28/946534628.db2.gz CXEGCGWOVMLGKR-LBPRGKRZSA-N -1 1 377.453 0.114 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823994166 946534633 /nfs/dbraw/zinc/53/46/33/946534633.db2.gz CXEGCGWOVMLGKR-LBPRGKRZSA-N -1 1 377.453 0.114 20 0 GCADMM O=C(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cncnc1C1CC1 ZINC001571313853 946534731 /nfs/dbraw/zinc/53/47/31/946534731.db2.gz WQNBNKQWMYMTLY-UHFFFAOYSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cncnc1C1CC1 ZINC001571313853 946534735 /nfs/dbraw/zinc/53/47/35/946534735.db2.gz WQNBNKQWMYMTLY-UHFFFAOYSA-N -1 1 392.427 0.723 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573515329 946544170 /nfs/dbraw/zinc/54/41/70/946544170.db2.gz KZVCIPZAFOOLLJ-GXSJLCMTSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573515663 946547947 /nfs/dbraw/zinc/54/79/47/946547947.db2.gz OVQHTWHIXXCFNX-GZMMTYOYSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573515760 946551842 /nfs/dbraw/zinc/55/18/42/946551842.db2.gz QRMOQDZXNWREQV-MRVPVSSYSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573517357 946570334 /nfs/dbraw/zinc/57/03/34/946570334.db2.gz IJIJIXXMEPKDSQ-MRVPVSSYSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573517357 946570346 /nfs/dbraw/zinc/57/03/46/946570346.db2.gz IJIJIXXMEPKDSQ-MRVPVSSYSA-N -1 1 384.853 0.198 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571316410 946576347 /nfs/dbraw/zinc/57/63/47/946576347.db2.gz BVSOAYIABIIIER-FODDMMDFSA-N -1 1 392.467 0.747 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571316410 946576360 /nfs/dbraw/zinc/57/63/60/946576360.db2.gz BVSOAYIABIIIER-FODDMMDFSA-N -1 1 392.467 0.747 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573517588 946577018 /nfs/dbraw/zinc/57/70/18/946577018.db2.gz NYGNDXZOARRNLT-QMMMGPOBSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)C ZINC001573517578 946578005 /nfs/dbraw/zinc/57/80/05/946578005.db2.gz NPZYBJDNXZWXHO-QMMMGPOBSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)C ZINC001573517578 946578010 /nfs/dbraw/zinc/57/80/10/946578010.db2.gz NPZYBJDNXZWXHO-QMMMGPOBSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573520548 946599536 /nfs/dbraw/zinc/59/95/36/946599536.db2.gz JTKDPXLKAIPNJJ-JOCQHMNTSA-N -1 1 387.448 0.127 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573520548 946599543 /nfs/dbraw/zinc/59/95/43/946599543.db2.gz JTKDPXLKAIPNJJ-JOCQHMNTSA-N -1 1 387.448 0.127 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573520851 946601559 /nfs/dbraw/zinc/60/15/59/946601559.db2.gz NVOZCRPKNHXYET-JOCQHMNTSA-N -1 1 387.448 0.127 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573520851 946601568 /nfs/dbraw/zinc/60/15/68/946601568.db2.gz NVOZCRPKNHXYET-JOCQHMNTSA-N -1 1 387.448 0.127 20 0 GCADMM CC(=O)NCC(=O)NCCC1(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573520900 946601835 /nfs/dbraw/zinc/60/18/35/946601835.db2.gz PFJMPDBHKIXNSJ-UHFFFAOYSA-N -1 1 378.462 0.466 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCOCC2)n1 ZINC000824147967 946602227 /nfs/dbraw/zinc/60/22/27/946602227.db2.gz JLTIZKUIZGWJHY-JTQLQIEISA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCOCC2)n1 ZINC000824147967 946602236 /nfs/dbraw/zinc/60/22/36/946602236.db2.gz JLTIZKUIZGWJHY-JTQLQIEISA-N -1 1 376.421 0.442 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573520935 946603736 /nfs/dbraw/zinc/60/37/36/946603736.db2.gz QABOOFRRUQIVCG-OCAPTIKFSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573520935 946603747 /nfs/dbraw/zinc/60/37/47/946603747.db2.gz QABOOFRRUQIVCG-OCAPTIKFSA-N -1 1 384.853 0.419 20 0 GCADMM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@@H]1CCCOC1 ZINC001571317336 946606000 /nfs/dbraw/zinc/60/60/00/946606000.db2.gz DGSFXMZQFCMGQR-OLZOCXBDSA-N -1 1 392.485 0.672 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573521713 946610439 /nfs/dbraw/zinc/61/04/39/946610439.db2.gz CBHATYKZTNUVEG-HAQNSBGRSA-N -1 1 392.489 0.855 20 0 GCADMM CC(=O)NCC(=O)NCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573521700 946610471 /nfs/dbraw/zinc/61/04/71/946610471.db2.gz BHDSJUBDUSCVOT-UHFFFAOYSA-N -1 1 381.400 0.021 20 0 GCADMM CC(=O)NCC(=O)NCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573521700 946610475 /nfs/dbraw/zinc/61/04/75/946610475.db2.gz BHDSJUBDUSCVOT-UHFFFAOYSA-N -1 1 381.400 0.021 20 0 GCADMM Cc1nsc(N2CC[C@H](N(C)C(=O)CN3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571317657 946615502 /nfs/dbraw/zinc/61/55/02/946615502.db2.gz PXTIIVDKSBAKOJ-LBPRGKRZSA-N -1 1 392.489 0.001 20 0 GCADMM Cc1nsc(NC[C@@H]2CCN(C(=O)CN3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571317661 946616345 /nfs/dbraw/zinc/61/63/45/946616345.db2.gz QBGJAWKUZXOHPB-LBPRGKRZSA-N -1 1 392.489 0.224 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573522095 946622618 /nfs/dbraw/zinc/62/26/18/946622618.db2.gz AJFZRPDPFCXBRA-GFCCVEGCSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573522095 946622628 /nfs/dbraw/zinc/62/26/28/946622628.db2.gz AJFZRPDPFCXBRA-GFCCVEGCSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573522905 946631923 /nfs/dbraw/zinc/63/19/23/946631923.db2.gz MUKNOQZCJNPRLL-UHFFFAOYSA-N -1 1 392.489 0.443 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573522914 946632194 /nfs/dbraw/zinc/63/21/94/946632194.db2.gz MXVSLKOTWPCAJR-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573522914 946632199 /nfs/dbraw/zinc/63/21/99/946632199.db2.gz MXVSLKOTWPCAJR-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573523619 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CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540615 946778981 /nfs/dbraw/zinc/77/89/81/946778981.db2.gz ICYUTDUITJDOIK-GXFFZTMASA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001573540558 946779609 /nfs/dbraw/zinc/77/96/09/946779609.db2.gz FMZMTWAURSPBCE-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001573540558 946779616 /nfs/dbraw/zinc/77/96/16/946779616.db2.gz FMZMTWAURSPBCE-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573540912 946781547 /nfs/dbraw/zinc/78/15/47/946781547.db2.gz KMRZIUMZYNZFIY-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573540912 946781556 /nfs/dbraw/zinc/78/15/56/946781556.db2.gz KMRZIUMZYNZFIY-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541015 946783236 /nfs/dbraw/zinc/78/32/36/946783236.db2.gz MAGIMGKHPKVLHR-TVQRCGJNSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541015 946783241 /nfs/dbraw/zinc/78/32/41/946783241.db2.gz MAGIMGKHPKVLHR-TVQRCGJNSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573541060 946783558 /nfs/dbraw/zinc/78/35/58/946783558.db2.gz NHUJKMVVMQDIJX-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541060 946783564 /nfs/dbraw/zinc/78/35/64/946783564.db2.gz NHUJKMVVMQDIJX-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573541244 946785427 /nfs/dbraw/zinc/78/54/27/946785427.db2.gz PHYVMOMGSUBNDJ-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573541244 946785436 /nfs/dbraw/zinc/78/54/36/946785436.db2.gz PHYVMOMGSUBNDJ-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573541310 946785776 /nfs/dbraw/zinc/78/57/76/946785776.db2.gz QAGBFQHNEPTVMC-VBROQKIQSA-N -1 1 387.448 0.292 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541310 946785784 /nfs/dbraw/zinc/78/57/84/946785784.db2.gz QAGBFQHNEPTVMC-VBROQKIQSA-N -1 1 387.448 0.292 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573541325 946786468 /nfs/dbraw/zinc/78/64/68/946786468.db2.gz QFRWVZUOUSZWCC-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573541325 946786480 /nfs/dbraw/zinc/78/64/80/946786480.db2.gz QFRWVZUOUSZWCC-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573541666 946788047 /nfs/dbraw/zinc/78/80/47/946788047.db2.gz VRNVHFFZCDPQAD-DGCLKSJQSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573541572 946788085 /nfs/dbraw/zinc/78/80/85/946788085.db2.gz RSRCNJXMLBTGKJ-ZWNOBZJWSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573541572 946788092 /nfs/dbraw/zinc/78/80/92/946788092.db2.gz RSRCNJXMLBTGKJ-ZWNOBZJWSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)(C)C ZINC001573541922 946789934 /nfs/dbraw/zinc/78/99/34/946789934.db2.gz YKKWDVSNGQHVGC-SMDDNHRTSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573541922 946789941 /nfs/dbraw/zinc/78/99/41/946789941.db2.gz YKKWDVSNGQHVGC-SMDDNHRTSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573541952 946793051 /nfs/dbraw/zinc/79/30/51/946793051.db2.gz ZJYPJZYIXSYTMY-GXFFZTMASA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573541952 946793063 /nfs/dbraw/zinc/79/30/63/946793063.db2.gz ZJYPJZYIXSYTMY-GXFFZTMASA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573542233 946794848 /nfs/dbraw/zinc/79/48/48/946794848.db2.gz CBHFULWYWSTCRP-MRVPVSSYSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573542233 946794854 /nfs/dbraw/zinc/79/48/54/946794854.db2.gz CBHFULWYWSTCRP-MRVPVSSYSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573542231 946794910 /nfs/dbraw/zinc/79/49/10/946794910.db2.gz BYSHLDXYASWXAB-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573542231 946794917 /nfs/dbraw/zinc/79/49/17/946794917.db2.gz BYSHLDXYASWXAB-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573542941 946802225 /nfs/dbraw/zinc/80/22/25/946802225.db2.gz RCQWYKUJQLTUAY-UHFFFAOYSA-N -1 1 384.404 0.118 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573542941 946802237 /nfs/dbraw/zinc/80/22/37/946802237.db2.gz RCQWYKUJQLTUAY-UHFFFAOYSA-N -1 1 384.404 0.118 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573543317 946807504 /nfs/dbraw/zinc/80/75/04/946807504.db2.gz VNJWEGLRDVNGGI-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573543317 946807512 /nfs/dbraw/zinc/80/75/12/946807512.db2.gz VNJWEGLRDVNGGI-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001573546515 946808013 /nfs/dbraw/zinc/80/80/13/946808013.db2.gz BZYATRYCUYKLLV-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001573546515 946808020 /nfs/dbraw/zinc/80/80/20/946808020.db2.gz BZYATRYCUYKLLV-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001573543433 946810099 /nfs/dbraw/zinc/81/00/99/946810099.db2.gz ZDSBRRVWWWBZAY-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001573543433 946810111 /nfs/dbraw/zinc/81/01/11/946810111.db2.gz ZDSBRRVWWWBZAY-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N(C)CCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001573546709 946818741 /nfs/dbraw/zinc/81/87/41/946818741.db2.gz NQTJNBGXESFSGJ-UHFFFAOYSA-N -1 1 381.400 0.799 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N(C)CCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001573546709 946818747 /nfs/dbraw/zinc/81/87/47/946818747.db2.gz NQTJNBGXESFSGJ-UHFFFAOYSA-N -1 1 381.400 0.799 20 0 GCADMM CC(=O)Nc1ncc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001573548023 946844362 /nfs/dbraw/zinc/84/43/62/946844362.db2.gz BNGNKOHKEMGZCS-UHFFFAOYSA-N -1 1 386.444 0.217 20 0 GCADMM CC(=O)Nc1ncc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001573548023 946844373 /nfs/dbraw/zinc/84/43/73/946844373.db2.gz BNGNKOHKEMGZCS-UHFFFAOYSA-N -1 1 386.444 0.217 20 0 GCADMM CC(=O)c1cccc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001573555914 946920176 /nfs/dbraw/zinc/92/01/76/946920176.db2.gz UDYGLNMHUUQYSW-UHFFFAOYSA-N -1 1 384.356 0.153 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NCc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000825565536 947225581 /nfs/dbraw/zinc/22/55/81/947225581.db2.gz VEGPUGMVANQDIN-UHFFFAOYSA-N -1 1 399.367 0.285 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NCc2ccccc2COC)c1-c1nn[n-]n1 ZINC000825565232 947225738 /nfs/dbraw/zinc/22/57/38/947225738.db2.gz OKVAZVHGOJVXAA-UHFFFAOYSA-N -1 1 399.411 0.703 20 0 GCADMM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)CC2 ZINC000825581456 947239066 /nfs/dbraw/zinc/23/90/66/947239066.db2.gz ARIKOAPEPFQCOM-CHWSQXEVSA-N -1 1 376.417 0.484 20 0 GCADMM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)CC2 ZINC000825581456 947239076 /nfs/dbraw/zinc/23/90/76/947239076.db2.gz ARIKOAPEPFQCOM-CHWSQXEVSA-N -1 1 376.417 0.484 20 0 GCADMM CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)CC2 ZINC000825581459 947239808 /nfs/dbraw/zinc/23/98/08/947239808.db2.gz ARIKOAPEPFQCOM-STQMWFEESA-N -1 1 376.417 0.484 20 0 GCADMM CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)CC2 ZINC000825581459 947239819 /nfs/dbraw/zinc/23/98/19/947239819.db2.gz ARIKOAPEPFQCOM-STQMWFEESA-N -1 1 376.417 0.484 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573591709 947316665 /nfs/dbraw/zinc/31/66/65/947316665.db2.gz DMSUHLOKKGKZOH-IUCAKERBSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573591709 947316678 /nfs/dbraw/zinc/31/66/78/947316678.db2.gz DMSUHLOKKGKZOH-IUCAKERBSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573591682 947317382 /nfs/dbraw/zinc/31/73/82/947317382.db2.gz DHLUMWLNOVQONO-NWDGAFQWSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573592010 947325209 /nfs/dbraw/zinc/32/52/09/947325209.db2.gz HXFVYEBJYTYUJR-NEPJUHHUSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573592010 947325223 /nfs/dbraw/zinc/32/52/23/947325223.db2.gz HXFVYEBJYTYUJR-NEPJUHHUSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573592066 947326004 /nfs/dbraw/zinc/32/60/04/947326004.db2.gz IKARBYGFOJIJAU-OCCSQVGLSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573592066 947326017 /nfs/dbraw/zinc/32/60/17/947326017.db2.gz IKARBYGFOJIJAU-OCCSQVGLSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573592640 947341719 /nfs/dbraw/zinc/34/17/19/947341719.db2.gz LPXZJLFAVHORQO-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573592633 947342626 /nfs/dbraw/zinc/34/26/26/947342626.db2.gz LJIRYEYOANJQSL-JSGCOSHPSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573592633 947342639 /nfs/dbraw/zinc/34/26/39/947342639.db2.gz LJIRYEYOANJQSL-JSGCOSHPSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573593222 947365083 /nfs/dbraw/zinc/36/50/83/947365083.db2.gz RTIZKBZBQREFFT-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573593222 947365096 /nfs/dbraw/zinc/36/50/96/947365096.db2.gz RTIZKBZBQREFFT-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001573593306 947367294 /nfs/dbraw/zinc/36/72/94/947367294.db2.gz JSMAYZKMWOSTJA-FZMZJTMJSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001573593306 947367310 /nfs/dbraw/zinc/36/73/10/947367310.db2.gz JSMAYZKMWOSTJA-FZMZJTMJSA-N -1 1 382.432 0.763 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1CSCCS1 ZINC000825929779 947373957 /nfs/dbraw/zinc/37/39/57/947373957.db2.gz JITOLBHWJDAXOH-VIFPVBQESA-N -1 1 397.534 0.595 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1CSCCS1 ZINC000825929779 947373969 /nfs/dbraw/zinc/37/39/69/947373969.db2.gz JITOLBHWJDAXOH-VIFPVBQESA-N -1 1 397.534 0.595 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc2c1OCO2 ZINC000825929157 947375991 /nfs/dbraw/zinc/37/59/91/947375991.db2.gz BVVVKFIBYDALGI-UHFFFAOYSA-N -1 1 385.388 0.997 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc2c1OCO2 ZINC000825929157 947376000 /nfs/dbraw/zinc/37/60/00/947376000.db2.gz BVVVKFIBYDALGI-UHFFFAOYSA-N -1 1 385.388 0.997 20 0 GCADMM CC(C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)=C1CCCC1 ZINC001573594036 947386026 /nfs/dbraw/zinc/38/60/26/947386026.db2.gz WVJLZHYFWBGBRX-CQSZACIVSA-N -1 1 386.460 0.803 20 0 GCADMM CC(C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)=C1CCCC1 ZINC001573594036 947386039 /nfs/dbraw/zinc/38/60/39/947386039.db2.gz WVJLZHYFWBGBRX-CQSZACIVSA-N -1 1 386.460 0.803 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cncn1 ZINC001573594222 947387983 /nfs/dbraw/zinc/38/79/83/947387983.db2.gz PACOTTZXTKGFIK-GXFFZTMASA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573594222 947387996 /nfs/dbraw/zinc/38/79/96/947387996.db2.gz PACOTTZXTKGFIK-GXFFZTMASA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001573594758 947406204 /nfs/dbraw/zinc/40/62/04/947406204.db2.gz RVNJZSXKQWTPMZ-RISCZKNCSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573594758 947406211 /nfs/dbraw/zinc/40/62/11/947406211.db2.gz RVNJZSXKQWTPMZ-RISCZKNCSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573595175 947417079 /nfs/dbraw/zinc/41/70/79/947417079.db2.gz GCKTXPPAWXZONL-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573597431 947437085 /nfs/dbraw/zinc/43/70/85/947437085.db2.gz OHDJPIUSOLPCNF-PWSUYJOCSA-N -1 1 388.457 0.175 20 0 GCADMM COC(=O)C1(O)CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000826129278 947444037 /nfs/dbraw/zinc/44/40/37/947444037.db2.gz OCOGNPSRICXFPF-UHFFFAOYSA-N -1 1 378.389 0.015 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573599212 947452705 /nfs/dbraw/zinc/45/27/05/947452705.db2.gz VUWUEUSXBBFDNI-YPMHNXCESA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573599212 947452713 /nfs/dbraw/zinc/45/27/13/947452713.db2.gz VUWUEUSXBBFDNI-YPMHNXCESA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001573602566 947468116 /nfs/dbraw/zinc/46/81/16/947468116.db2.gz FLGQRSWXSYPSDS-CYBMUJFWSA-N -1 1 385.476 0.283 20 0 GCADMM COCCN(CC(=O)OC(C)(C)C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826157739 947497392 /nfs/dbraw/zinc/49/73/92/947497392.db2.gz JMQBVNJKKPFUOJ-UHFFFAOYSA-N -1 1 380.405 0.522 20 0 GCADMM COCCN(CC(=O)OC(C)(C)C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826157739 947497397 /nfs/dbraw/zinc/49/73/97/947497397.db2.gz JMQBVNJKKPFUOJ-UHFFFAOYSA-N -1 1 380.405 0.522 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)N(C)CC(F)(F)F ZINC001573604461 947511841 /nfs/dbraw/zinc/51/18/41/947511841.db2.gz NSPADUZOPPQLDO-VIFPVBQESA-N -1 1 387.370 0.410 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)N(C)CC(F)(F)F ZINC001573604461 947511847 /nfs/dbraw/zinc/51/18/47/947511847.db2.gz NSPADUZOPPQLDO-VIFPVBQESA-N -1 1 387.370 0.410 20 0 GCADMM O=C([O-])C1CCN(S(=O)(=O)N2CCCN(C[C@H]3CCCO3)CC2)CC1 ZINC000327369053 971392869 /nfs/dbraw/zinc/39/28/69/971392869.db2.gz KWQNWXRXHNTGAC-OAHLLOKOSA-N -1 1 375.491 0.215 20 0 GCADMM C[C@H](C(=O)N(Cc1cccc(C(N)=O)c1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573607785 947553655 /nfs/dbraw/zinc/55/36/55/947553655.db2.gz RJIQKBUWNJMKSK-SNVBAGLBSA-N -1 1 381.400 0.309 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573608361 947560359 /nfs/dbraw/zinc/56/03/59/947560359.db2.gz ZASUIIRMASHQKX-LBPRGKRZSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573608361 947560368 /nfs/dbraw/zinc/56/03/68/947560368.db2.gz ZASUIIRMASHQKX-LBPRGKRZSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573608426 947561360 /nfs/dbraw/zinc/56/13/60/947561360.db2.gz ZPLPQRILHAMRID-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573608426 947561367 /nfs/dbraw/zinc/56/13/67/947561367.db2.gz ZPLPQRILHAMRID-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573613755 947570479 /nfs/dbraw/zinc/57/04/79/947570479.db2.gz HXOXRMGSRMUBBS-SCLBCKFNSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573613918 947576642 /nfs/dbraw/zinc/57/66/42/947576642.db2.gz BQLSESZHLXQPCL-VIFPVBQESA-N -1 1 384.366 0.928 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573614517 947588324 /nfs/dbraw/zinc/58/83/24/947588324.db2.gz MPUNSUJEBJWSEO-YVEFUNNKSA-N -1 1 382.432 0.187 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001573614749 947589608 /nfs/dbraw/zinc/58/96/08/947589608.db2.gz OVCSTTMGUHKGNV-CXTNEJHOSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573614749 947589613 /nfs/dbraw/zinc/58/96/13/947589613.db2.gz OVCSTTMGUHKGNV-CXTNEJHOSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)n1cccn1 ZINC001573614742 947590419 /nfs/dbraw/zinc/59/04/19/947590419.db2.gz OQOLSDYXOOTTTQ-YPMHNXCESA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cccn1 ZINC001573614742 947590430 /nfs/dbraw/zinc/59/04/30/947590430.db2.gz OQOLSDYXOOTTTQ-YPMHNXCESA-N -1 1 382.432 0.763 20 0 GCADMM C=Cc1ccc(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC001573350381 947596191 /nfs/dbraw/zinc/59/61/91/947596191.db2.gz AUENMWBPCYLQEE-UHFFFAOYSA-N -1 1 380.412 0.846 20 0 GCADMM C=Cc1ccc(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC001573350381 947596197 /nfs/dbraw/zinc/59/61/97/947596197.db2.gz AUENMWBPCYLQEE-UHFFFAOYSA-N -1 1 380.412 0.846 20 0 GCADMM C=CS(=O)(=O)CCC(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1cccnc1 ZINC001573350373 947596822 /nfs/dbraw/zinc/59/68/22/947596822.db2.gz DKMNXTZZVSLOTI-UHFFFAOYSA-N -1 1 388.413 0.643 20 0 GCADMM C=CS(=O)(=O)CCC(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1cccnc1 ZINC001573350373 947596834 /nfs/dbraw/zinc/59/68/34/947596834.db2.gz DKMNXTZZVSLOTI-UHFFFAOYSA-N -1 1 388.413 0.643 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573615190 947600319 /nfs/dbraw/zinc/60/03/19/947600319.db2.gz IWCXBWPUXBBEOZ-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573615190 947600327 /nfs/dbraw/zinc/60/03/27/947600327.db2.gz IWCXBWPUXBBEOZ-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cncn1 ZINC001573616863 947629168 /nfs/dbraw/zinc/62/91/68/947629168.db2.gz YWEYNXXLKACZRR-ZYHUDNBSSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cncn1 ZINC001573616863 947629176 /nfs/dbraw/zinc/62/91/76/947629176.db2.gz YWEYNXXLKACZRR-ZYHUDNBSSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cncn1 ZINC001573616856 947629943 /nfs/dbraw/zinc/62/99/43/947629943.db2.gz YWEYNXXLKACZRR-JQWIXIFHSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cncn1 ZINC001573616856 947629945 /nfs/dbraw/zinc/62/99/45/947629945.db2.gz YWEYNXXLKACZRR-JQWIXIFHSA-N -1 1 383.420 0.158 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573355101 947640629 /nfs/dbraw/zinc/64/06/29/947640629.db2.gz MPGDOPAIPHRIEH-AWEZNQCLSA-N -1 1 380.412 0.811 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573355101 947640636 /nfs/dbraw/zinc/64/06/36/947640636.db2.gz MPGDOPAIPHRIEH-AWEZNQCLSA-N -1 1 380.412 0.811 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573617924 947642992 /nfs/dbraw/zinc/64/29/92/947642992.db2.gz QYVPNBFBCPWKFE-GFCCVEGCSA-N -1 1 382.432 0.187 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573355953 947648121 /nfs/dbraw/zinc/64/81/21/947648121.db2.gz TXBYTCTWOWASSA-IBGZPJMESA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573355953 947648128 /nfs/dbraw/zinc/64/81/28/947648128.db2.gz TXBYTCTWOWASSA-IBGZPJMESA-N -1 1 392.423 0.671 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573618835 947654476 /nfs/dbraw/zinc/65/44/76/947654476.db2.gz SROOYTUMOYSQLL-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573618835 947654481 /nfs/dbraw/zinc/65/44/81/947654481.db2.gz SROOYTUMOYSQLL-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573618809 947654699 /nfs/dbraw/zinc/65/46/99/947654699.db2.gz SHCOIMOGLPVBEJ-DOMZBBRYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573618809 947654705 /nfs/dbraw/zinc/65/47/05/947654705.db2.gz SHCOIMOGLPVBEJ-DOMZBBRYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573618968 947658278 /nfs/dbraw/zinc/65/82/78/947658278.db2.gz UKTSMYBOAMODOL-NSHDSACASA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573618968 947658280 /nfs/dbraw/zinc/65/82/80/947658280.db2.gz UKTSMYBOAMODOL-NSHDSACASA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573619185 947660606 /nfs/dbraw/zinc/66/06/06/947660606.db2.gz URQNHZRYGBIFGB-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CCC(N(CCO)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573619279 947662694 /nfs/dbraw/zinc/66/26/94/947662694.db2.gz VIOQOIOGNAQAKU-LBPRGKRZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC(N(CCO)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573619279 947662702 /nfs/dbraw/zinc/66/27/02/947662702.db2.gz VIOQOIOGNAQAKU-LBPRGKRZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573619440 947664762 /nfs/dbraw/zinc/66/47/62/947664762.db2.gz WFZRQVYHGNOODV-STQMWFEESA-N -1 1 382.432 0.187 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573619550 947667494 /nfs/dbraw/zinc/66/74/94/947667494.db2.gz VROHQNCXSVXEIH-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573619907 947674671 /nfs/dbraw/zinc/67/46/71/947674671.db2.gz XMEXLODXYJRIBI-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573619907 947674677 /nfs/dbraw/zinc/67/46/77/947674677.db2.gz XMEXLODXYJRIBI-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM Cc1[nH]nc2ncc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cc12 ZINC000826233616 947685163 /nfs/dbraw/zinc/68/51/63/947685163.db2.gz OUGDICGVBINUFU-UHFFFAOYSA-N -1 1 381.404 0.457 20 0 GCADMM Cc1[nH]nc2ncc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cc12 ZINC000826233616 947685175 /nfs/dbraw/zinc/68/51/75/947685175.db2.gz OUGDICGVBINUFU-UHFFFAOYSA-N -1 1 381.404 0.457 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573359676 947686801 /nfs/dbraw/zinc/68/68/01/947686801.db2.gz XLQFJCAXGRVFDA-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573359676 947686805 /nfs/dbraw/zinc/68/68/05/947686805.db2.gz XLQFJCAXGRVFDA-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C[C@H](C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2)C1CC1 ZINC001573626609 947712004 /nfs/dbraw/zinc/71/20/04/947712004.db2.gz WJSMWKQNFBQSFE-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2)C1CC1 ZINC001573626609 947712015 /nfs/dbraw/zinc/71/20/15/947712015.db2.gz WJSMWKQNFBQSFE-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2)C1CC1 ZINC001573626610 947712636 /nfs/dbraw/zinc/71/26/36/947712636.db2.gz WJSMWKQNFBQSFE-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2)C1CC1 ZINC001573626610 947712640 /nfs/dbraw/zinc/71/26/40/947712640.db2.gz WJSMWKQNFBQSFE-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573627391 947721774 /nfs/dbraw/zinc/72/17/74/947721774.db2.gz AQFHIIMFVWPLBJ-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C/C(=C/c1ccccc1)CN(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573365215 947729232 /nfs/dbraw/zinc/72/92/32/947729232.db2.gz LQDQGPJNBYGZRJ-WQLSENKSSA-N -1 1 381.396 0.691 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573628448 947754604 /nfs/dbraw/zinc/75/46/04/947754604.db2.gz KVOIOKQXUAGLEY-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573628448 947754612 /nfs/dbraw/zinc/75/46/12/947754612.db2.gz KVOIOKQXUAGLEY-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CCO2)n1 ZINC000826264913 947764056 /nfs/dbraw/zinc/76/40/56/947764056.db2.gz FLBNDHURUBGIQE-CYBMUJFWSA-N -1 1 386.416 0.447 20 0 GCADMM Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CCO2)n1 ZINC000826264913 947764062 /nfs/dbraw/zinc/76/40/62/947764062.db2.gz FLBNDHURUBGIQE-CYBMUJFWSA-N -1 1 386.416 0.447 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573628887 947767079 /nfs/dbraw/zinc/76/70/79/947767079.db2.gz OVQAYVSRIKFOHU-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573628887 947767085 /nfs/dbraw/zinc/76/70/85/947767085.db2.gz OVQAYVSRIKFOHU-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573629096 947771600 /nfs/dbraw/zinc/77/16/00/947771600.db2.gz MDIIWSLFAPGPGP-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573629096 947771606 /nfs/dbraw/zinc/77/16/06/947771606.db2.gz MDIIWSLFAPGPGP-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573372660 947782444 /nfs/dbraw/zinc/78/24/44/947782444.db2.gz BHSRTURRAGSSDU-KRWDZBQOSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573372660 947782449 /nfs/dbraw/zinc/78/24/49/947782449.db2.gz BHSRTURRAGSSDU-KRWDZBQOSA-N -1 1 388.432 0.181 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573630013 947785681 /nfs/dbraw/zinc/78/56/81/947785681.db2.gz PZWDUHWWLFZKFF-VHSXEESVSA-N -1 1 384.366 0.928 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573373625 947796471 /nfs/dbraw/zinc/79/64/71/947796471.db2.gz JNRVXBSJHPWRGS-GOSISDBHSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573373625 947796488 /nfs/dbraw/zinc/79/64/88/947796488.db2.gz JNRVXBSJHPWRGS-GOSISDBHSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573373663 947798061 /nfs/dbraw/zinc/79/80/61/947798061.db2.gz FJMJKZUCVAOSQD-MJBXVCDLSA-N -1 1 384.444 0.890 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573373663 947798068 /nfs/dbraw/zinc/79/80/68/947798068.db2.gz FJMJKZUCVAOSQD-MJBXVCDLSA-N -1 1 384.444 0.890 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573631191 947798848 /nfs/dbraw/zinc/79/88/48/947798848.db2.gz UFJPIHIYORDOML-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573631191 947798855 /nfs/dbraw/zinc/79/88/55/947798855.db2.gz UFJPIHIYORDOML-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573374034 947801664 /nfs/dbraw/zinc/80/16/64/947801664.db2.gz HGKDXOIRAXCWRN-ZIAGYGMSSA-N -1 1 386.460 0.925 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573632010 947807293 /nfs/dbraw/zinc/80/72/93/947807293.db2.gz XYAQQFYZMKQBGE-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573632010 947807303 /nfs/dbraw/zinc/80/73/03/947807303.db2.gz XYAQQFYZMKQBGE-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573637628 947818824 /nfs/dbraw/zinc/81/88/24/947818824.db2.gz LCILAVROQMESFE-RYUDHWBXSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573637628 947818831 /nfs/dbraw/zinc/81/88/31/947818831.db2.gz LCILAVROQMESFE-RYUDHWBXSA-N -1 1 383.420 0.302 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573375546 947820842 /nfs/dbraw/zinc/82/08/42/947820842.db2.gz OCSVQGSQRLKDAJ-AWEZNQCLSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573375546 947820854 /nfs/dbraw/zinc/82/08/54/947820854.db2.gz OCSVQGSQRLKDAJ-AWEZNQCLSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)S(C)(=O)=O ZINC001573638073 947833660 /nfs/dbraw/zinc/83/36/60/947833660.db2.gz BXHLDJQJGWANLX-JTQLQIEISA-N -1 1 384.487 0.006 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1-c1nnn[n-]1 ZINC000826289917 947842343 /nfs/dbraw/zinc/84/23/43/947842343.db2.gz RMMJEQQTSDBHTP-CYBMUJFWSA-N -1 1 397.443 0.931 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1-c1nn[n-]n1 ZINC000826289917 947842350 /nfs/dbraw/zinc/84/23/50/947842350.db2.gz RMMJEQQTSDBHTP-CYBMUJFWSA-N -1 1 397.443 0.931 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573377391 947848454 /nfs/dbraw/zinc/84/84/54/947848454.db2.gz MMOKYPXAGNUZDM-KGLIPLIRSA-N -1 1 384.444 0.701 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573377391 947848460 /nfs/dbraw/zinc/84/84/60/947848460.db2.gz MMOKYPXAGNUZDM-KGLIPLIRSA-N -1 1 384.444 0.701 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573377130 947848900 /nfs/dbraw/zinc/84/89/00/947848900.db2.gz JFNNPLRXBMWJHU-UONOGXRCSA-N -1 1 384.444 0.843 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573640618 947853286 /nfs/dbraw/zinc/85/32/86/947853286.db2.gz ILCBGWMYUWAOCG-BDAKNGLRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573640618 947853293 /nfs/dbraw/zinc/85/32/93/947853293.db2.gz ILCBGWMYUWAOCG-BDAKNGLRSA-N -1 1 386.338 0.494 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573378203 947854512 /nfs/dbraw/zinc/85/45/12/947854512.db2.gz WFXPZYLAEWLJDN-ZDUSSCGKSA-N -1 1 388.432 0.445 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573378203 947854519 /nfs/dbraw/zinc/85/45/19/947854519.db2.gz WFXPZYLAEWLJDN-ZDUSSCGKSA-N -1 1 388.432 0.445 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573642208 947858490 /nfs/dbraw/zinc/85/84/90/947858490.db2.gz OLWJGSWCVWXZON-VXGBXAGGSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573642208 947858493 /nfs/dbraw/zinc/85/84/93/947858493.db2.gz OLWJGSWCVWXZON-VXGBXAGGSA-N -1 1 384.400 0.693 20 0 GCADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1-c1nn[nH]n1 ZINC000826299428 947867510 /nfs/dbraw/zinc/86/75/10/947867510.db2.gz DXNGEWLHWLTUCT-UHFFFAOYSA-N -1 1 383.397 0.952 20 0 GCADMM CC(=O)CCCC(=O)NCC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001573382021 947880594 /nfs/dbraw/zinc/88/05/94/947880594.db2.gz CESKLSZSGXPFQS-TZMCWYRMSA-N -1 1 386.460 0.995 20 0 GCADMM CC(=O)CCCC(=O)NCC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001573382021 947880599 /nfs/dbraw/zinc/88/05/99/947880599.db2.gz CESKLSZSGXPFQS-TZMCWYRMSA-N -1 1 386.460 0.995 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(F)(F)F ZINC001573647351 947891827 /nfs/dbraw/zinc/89/18/27/947891827.db2.gz IPDOSLDOCPKBFH-BBBLOLIVSA-N -1 1 382.350 0.750 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(F)(F)F ZINC001573647351 947891833 /nfs/dbraw/zinc/89/18/33/947891833.db2.gz IPDOSLDOCPKBFH-BBBLOLIVSA-N -1 1 382.350 0.750 20 0 GCADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573383891 947897743 /nfs/dbraw/zinc/89/77/43/947897743.db2.gz FSRWNWXWYZTDSE-UGSOOPFHSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573383891 947897751 /nfs/dbraw/zinc/89/77/51/947897751.db2.gz FSRWNWXWYZTDSE-UGSOOPFHSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573647602 947899999 /nfs/dbraw/zinc/89/99/99/947899999.db2.gz PXMTZNLWGUUYPI-FRRDWIJNSA-N -1 1 397.447 0.406 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573647602 947900015 /nfs/dbraw/zinc/90/00/15/947900015.db2.gz PXMTZNLWGUUYPI-FRRDWIJNSA-N -1 1 397.447 0.406 20 0 GCADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573384667 947906145 /nfs/dbraw/zinc/90/61/45/947906145.db2.gz VEAQXNULQOVMKG-UGSOOPFHSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573384667 947906150 /nfs/dbraw/zinc/90/61/50/947906150.db2.gz VEAQXNULQOVMKG-UGSOOPFHSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cncn1 ZINC001573648008 947906218 /nfs/dbraw/zinc/90/62/18/947906218.db2.gz WTZIWDFWVGNFEH-IJLUTSLNSA-N -1 1 383.420 0.016 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cncn1 ZINC001573648008 947906225 /nfs/dbraw/zinc/90/62/25/947906225.db2.gz WTZIWDFWVGNFEH-IJLUTSLNSA-N -1 1 383.420 0.016 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573387387 947910470 /nfs/dbraw/zinc/91/04/70/947910470.db2.gz ADSKQIYDEKLSJN-UHFFFAOYSA-N -1 1 386.869 0.350 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573387387 947910479 /nfs/dbraw/zinc/91/04/79/947910479.db2.gz ADSKQIYDEKLSJN-UHFFFAOYSA-N -1 1 386.869 0.350 20 0 GCADMM Cc1ccnc(OC2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000826314855 947919083 /nfs/dbraw/zinc/91/90/83/947919083.db2.gz PGXNXYDTIPWLTR-UHFFFAOYSA-N -1 1 398.427 0.015 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)c1cccnc1 ZINC001573651412 947919269 /nfs/dbraw/zinc/91/92/69/947919269.db2.gz LOHCJVCJGULYQT-AEGPPILISA-N -1 1 391.439 0.750 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)c1cccnc1 ZINC001573651412 947919275 /nfs/dbraw/zinc/91/92/75/947919275.db2.gz LOHCJVCJGULYQT-AEGPPILISA-N -1 1 391.439 0.750 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573389558 947926646 /nfs/dbraw/zinc/92/66/46/947926646.db2.gz SQDZWCFMFXIACS-UHFFFAOYSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573389558 947926647 /nfs/dbraw/zinc/92/66/47/947926647.db2.gz SQDZWCFMFXIACS-UHFFFAOYSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573390693 947932426 /nfs/dbraw/zinc/93/24/26/947932426.db2.gz ACTLJGOTLOWWJP-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573390693 947932431 /nfs/dbraw/zinc/93/24/31/947932431.db2.gz ACTLJGOTLOWWJP-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573391753 947935678 /nfs/dbraw/zinc/93/56/78/947935678.db2.gz JDZKDKKSEWNWOU-NSHDSACASA-N -1 1 378.462 0.513 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573391745 947935910 /nfs/dbraw/zinc/93/59/10/947935910.db2.gz IZSKUCDUWLGPLT-RISCZKNCSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573391745 947935915 /nfs/dbraw/zinc/93/59/15/947935915.db2.gz 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CC(=O)N(C)CC(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573391758 947936786 /nfs/dbraw/zinc/93/67/86/947936786.db2.gz JHQRNLUGEOPCMN-UHFFFAOYSA-N -1 1 384.853 0.104 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573391758 947936794 /nfs/dbraw/zinc/93/67/94/947936794.db2.gz JHQRNLUGEOPCMN-UHFFFAOYSA-N -1 1 384.853 0.104 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573653208 947952889 /nfs/dbraw/zinc/95/28/89/947952889.db2.gz JSDOTJWUKPDACC-HWPZZCPQSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573653208 947952898 /nfs/dbraw/zinc/95/28/98/947952898.db2.gz JSDOTJWUKPDACC-HWPZZCPQSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573653210 947954098 /nfs/dbraw/zinc/95/40/98/947954098.db2.gz JSDOTJWUKPDACC-QFYYESIMSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573653210 947954103 /nfs/dbraw/zinc/95/41/03/947954103.db2.gz JSDOTJWUKPDACC-QFYYESIMSA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573393368 947956451 /nfs/dbraw/zinc/95/64/51/947956451.db2.gz KSHGDZBPYSFEFA-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573393368 947956465 /nfs/dbraw/zinc/95/64/65/947956465.db2.gz KSHGDZBPYSFEFA-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cnn(C)c1 ZINC001573653426 947957788 /nfs/dbraw/zinc/95/77/88/947957788.db2.gz LPZBYBGETFKRJN-ZWNOBZJWSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573653426 947957792 /nfs/dbraw/zinc/95/77/92/947957792.db2.gz LPZBYBGETFKRJN-ZWNOBZJWSA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393737 947960522 /nfs/dbraw/zinc/96/05/22/947960522.db2.gz 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947983128 /nfs/dbraw/zinc/98/31/28/947983128.db2.gz AIIBNHLITIBYAP-SGTLLEGYSA-N -1 1 379.428 0.940 20 0 GCADMM Cc1onc(CC(=O)N(C)C[C@@H](O)COCc2ccccc2)c1-c1nnn[n-]1 ZINC000826342959 947985758 /nfs/dbraw/zinc/98/57/58/947985758.db2.gz GYGQUKIUGYQIAJ-CQSZACIVSA-N -1 1 386.412 0.742 20 0 GCADMM Cc1onc(CC(=O)N(C)C[C@@H](O)COCc2ccccc2)c1-c1nn[n-]n1 ZINC000826342959 947985764 /nfs/dbraw/zinc/98/57/64/947985764.db2.gz GYGQUKIUGYQIAJ-CQSZACIVSA-N -1 1 386.412 0.742 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)CC(C)C ZINC001573398765 947986875 /nfs/dbraw/zinc/98/68/75/947986875.db2.gz PBCUJYARNLYXLD-CYBMUJFWSA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)CC(C)C ZINC001573398765 947986881 /nfs/dbraw/zinc/98/68/81/947986881.db2.gz PBCUJYARNLYXLD-CYBMUJFWSA-N -1 1 389.464 0.386 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573656429 947990135 /nfs/dbraw/zinc/99/01/35/947990135.db2.gz 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C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573657391 948000937 /nfs/dbraw/zinc/00/09/37/948000937.db2.gz NKXVBFNTJONSTA-XIKOKIGWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573657391 948000947 /nfs/dbraw/zinc/00/09/47/948000947.db2.gz NKXVBFNTJONSTA-XIKOKIGWSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573402413 948002291 /nfs/dbraw/zinc/00/22/91/948002291.db2.gz GLIZQFXWZXZOOR-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573402413 948002296 /nfs/dbraw/zinc/00/22/96/948002296.db2.gz GLIZQFXWZXZOOR-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573402984 948006763 /nfs/dbraw/zinc/00/67/63/948006763.db2.gz JUYCULMPUQXWFS-OLZOCXBDSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573402984 948006771 /nfs/dbraw/zinc/00/67/71/948006771.db2.gz JUYCULMPUQXWFS-OLZOCXBDSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573402989 948006813 /nfs/dbraw/zinc/00/68/13/948006813.db2.gz JUYCULMPUQXWFS-STQMWFEESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573402989 948006819 /nfs/dbraw/zinc/00/68/19/948006819.db2.gz JUYCULMPUQXWFS-STQMWFEESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573403412 948009166 /nfs/dbraw/zinc/00/91/66/948009166.db2.gz MFLGHZUOMRSBLG-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573403412 948009171 /nfs/dbraw/zinc/00/91/71/948009171.db2.gz MFLGHZUOMRSBLG-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573403472 948010342 /nfs/dbraw/zinc/01/03/42/948010342.db2.gz NDSOBELHAUPYJQ-NEPJUHHUSA-N -1 1 392.489 0.949 20 0 GCADMM Cc1onc(CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1-c1nnn[n-]1 ZINC000826344675 948011320 /nfs/dbraw/zinc/01/13/20/948011320.db2.gz OLQKZROAHBWXGS-UHFFFAOYSA-N -1 1 399.386 0.716 20 0 GCADMM Cc1onc(CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1-c1nn[n-]n1 ZINC000826344675 948011330 /nfs/dbraw/zinc/01/13/30/948011330.db2.gz OLQKZROAHBWXGS-UHFFFAOYSA-N -1 1 399.386 0.716 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573403733 948014028 /nfs/dbraw/zinc/01/40/28/948014028.db2.gz NZXCLPYTYZMFAM-SKDRFNHKSA-N -1 1 392.489 0.583 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c1-c1nnn[n-]1 ZINC000826345176 948018746 /nfs/dbraw/zinc/01/87/46/948018746.db2.gz FETXIEXLCNNFRT-UHFFFAOYSA-N -1 1 394.457 0.666 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c1-c1nn[n-]n1 ZINC000826345176 948018755 /nfs/dbraw/zinc/01/87/55/948018755.db2.gz FETXIEXLCNNFRT-UHFFFAOYSA-N -1 1 394.457 0.666 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)c1-c1nnn[n-]1 ZINC000826345182 948019223 /nfs/dbraw/zinc/01/92/23/948019223.db2.gz FLKNQEGGVSGDLU-GFCCVEGCSA-N -1 1 393.473 0.769 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)c1-c1nn[n-]n1 ZINC000826345182 948019235 /nfs/dbraw/zinc/01/92/35/948019235.db2.gz FLKNQEGGVSGDLU-GFCCVEGCSA-N -1 1 393.473 0.769 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573404270 948019255 /nfs/dbraw/zinc/01/92/55/948019255.db2.gz BUBRAOIYMSDEJR-ZETCQYMHSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573404270 948019268 /nfs/dbraw/zinc/01/92/68/948019268.db2.gz BUBRAOIYMSDEJR-ZETCQYMHSA-N -1 1 386.869 0.762 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573660273 948020238 /nfs/dbraw/zinc/02/02/38/948020238.db2.gz ZDNOTGLWGTUWCG-KPZWWZAWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573660273 948020245 /nfs/dbraw/zinc/02/02/45/948020245.db2.gz ZDNOTGLWGTUWCG-KPZWWZAWSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573404354 948022985 /nfs/dbraw/zinc/02/29/85/948022985.db2.gz SIOLFWZRKPKXOG-ZYHUDNBSSA-N -1 1 392.489 0.583 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404446 948024158 /nfs/dbraw/zinc/02/41/58/948024158.db2.gz FHYNNMVFCFYNOJ-GFCCVEGCSA-N -1 1 392.489 0.443 20 0 GCADMM C[C@@H](C(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573663532 948039748 /nfs/dbraw/zinc/03/97/48/948039748.db2.gz NUUHODULZKRIJC-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C(=O)NC1(CO)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)=C1CCC1 ZINC001573664082 948046929 /nfs/dbraw/zinc/04/69/29/948046929.db2.gz RXBQJFOIOYBLHP-UHFFFAOYSA-N -1 1 384.444 0.605 20 0 GCADMM CC(C(=O)NC1(CO)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)=C1CCC1 ZINC001573664082 948046941 /nfs/dbraw/zinc/04/69/41/948046941.db2.gz RXBQJFOIOYBLHP-UHFFFAOYSA-N -1 1 384.444 0.605 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826347404 948054318 /nfs/dbraw/zinc/05/43/18/948054318.db2.gz PXUWGFRNZGXRET-UHFFFAOYSA-N -1 1 389.803 0.905 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826347404 948054327 /nfs/dbraw/zinc/05/43/27/948054327.db2.gz PXUWGFRNZGXRET-UHFFFAOYSA-N -1 1 389.803 0.905 20 0 GCADMM C[C@@H](C(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573664675 948058642 /nfs/dbraw/zinc/05/86/42/948058642.db2.gz WRUWZTSOYUESCN-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573664675 948058650 /nfs/dbraw/zinc/05/86/50/948058650.db2.gz WRUWZTSOYUESCN-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)NCCS(=O)(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826347830 948061477 /nfs/dbraw/zinc/06/14/77/948061477.db2.gz HZQWNVQTXTZRRE-UHFFFAOYSA-N -1 1 376.398 0.296 20 0 GCADMM Cc1onc(CC(=O)NCCS(=O)(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826347830 948061489 /nfs/dbraw/zinc/06/14/89/948061489.db2.gz HZQWNVQTXTZRRE-UHFFFAOYSA-N -1 1 376.398 0.296 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573664823 948063406 /nfs/dbraw/zinc/06/34/06/948063406.db2.gz GYOMGZDPIPPBAF-VOMCLLRMSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573664823 948063417 /nfs/dbraw/zinc/06/34/17/948063417.db2.gz GYOMGZDPIPPBAF-VOMCLLRMSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)n1cccn1 ZINC001573665011 948064747 /nfs/dbraw/zinc/06/47/47/948064747.db2.gz ZSRGHOQCYXUMPT-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)n1cccn1 ZINC001573665011 948064755 /nfs/dbraw/zinc/06/47/55/948064755.db2.gz ZSRGHOQCYXUMPT-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(N3CCOCC3)nc2)c1-c1nnn[n-]1 ZINC000826348130 948066357 /nfs/dbraw/zinc/06/63/57/948066357.db2.gz WAUMLYVRABKLAZ-UHFFFAOYSA-N -1 1 384.400 0.254 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(N3CCOCC3)nc2)c1-c1nn[n-]n1 ZINC000826348130 948066364 /nfs/dbraw/zinc/06/63/64/948066364.db2.gz WAUMLYVRABKLAZ-UHFFFAOYSA-N -1 1 384.400 0.254 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348240 948067466 /nfs/dbraw/zinc/06/74/66/948067466.db2.gz CJUXWWBOXKHMLG-NSHDSACASA-N -1 1 395.379 0.550 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348240 948067475 /nfs/dbraw/zinc/06/74/75/948067475.db2.gz CJUXWWBOXKHMLG-NSHDSACASA-N -1 1 395.379 0.550 20 0 GCADMM Cc1onc(CC(=O)NCc2ccnc(OC3CCOCC3)c2)c1-c1nnn[n-]1 ZINC000826348186 948067970 /nfs/dbraw/zinc/06/79/70/948067970.db2.gz ZDHCVXULSAZDST-UHFFFAOYSA-N -1 1 399.411 0.975 20 0 GCADMM Cc1onc(CC(=O)NCc2ccnc(OC3CCOCC3)c2)c1-c1nn[n-]n1 ZINC000826348186 948067979 /nfs/dbraw/zinc/06/79/79/948067979.db2.gz ZDHCVXULSAZDST-UHFFFAOYSA-N -1 1 399.411 0.975 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348414 948074040 /nfs/dbraw/zinc/07/40/40/948074040.db2.gz KZMLLKLAKSEUKC-UHFFFAOYSA-N -1 1 395.379 0.993 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348414 948074053 /nfs/dbraw/zinc/07/40/53/948074053.db2.gz KZMLLKLAKSEUKC-UHFFFAOYSA-N -1 1 395.379 0.993 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573409427 948075536 /nfs/dbraw/zinc/07/55/36/948075536.db2.gz RLSRJAXVMXIUQX-OCAPTIKFSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N(C)c1ccc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)cc1 ZINC001573409848 948077767 /nfs/dbraw/zinc/07/77/67/948077767.db2.gz XAPMKYUUAWUXJH-UHFFFAOYSA-N -1 1 387.425 0.723 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(CS(C)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826348892 948082435 /nfs/dbraw/zinc/08/24/35/948082435.db2.gz KKHDVQNOJCJCGP-UHFFFAOYSA-N -1 1 376.398 0.889 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(CS(C)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826348892 948082443 /nfs/dbraw/zinc/08/24/43/948082443.db2.gz KKHDVQNOJCJCGP-UHFFFAOYSA-N -1 1 376.398 0.889 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1-c1nnn[n-]1 ZINC000826349163 948090958 /nfs/dbraw/zinc/09/09/58/948090958.db2.gz XGBAQYXFCCHCDY-UHFFFAOYSA-N -1 1 391.413 0.595 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1-c1nn[n-]n1 ZINC000826349163 948090964 /nfs/dbraw/zinc/09/09/64/948090964.db2.gz XGBAQYXFCCHCDY-UHFFFAOYSA-N -1 1 391.413 0.595 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573672118 948107502 /nfs/dbraw/zinc/10/75/02/948107502.db2.gz GTGSVSOWKPJFNW-UWVGGRQHSA-N -1 1 384.487 0.052 20 0 GCADMM CC(=O)N(Cc1ccccc1)[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001573415476 948108660 /nfs/dbraw/zinc/10/86/60/948108660.db2.gz UMISUDMBXDKXOK-HUUCEWRRSA-N -1 1 380.412 0.255 20 0 GCADMM CC(=O)N(Cc1ccccc1)[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001573415476 948108666 /nfs/dbraw/zinc/10/86/66/948108666.db2.gz UMISUDMBXDKXOK-HUUCEWRRSA-N -1 1 380.412 0.255 20 0 GCADMM CC(=O)N(c1ccc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1)C1CC1 ZINC001573415501 948111095 /nfs/dbraw/zinc/11/10/95/948111095.db2.gz VMXGAOYYJYEEIS-UHFFFAOYSA-N -1 1 382.384 0.925 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cccnc1 ZINC001573672768 948111357 /nfs/dbraw/zinc/11/13/57/948111357.db2.gz JDNRNCIEROKNIE-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cccnc1 ZINC001573672768 948111364 /nfs/dbraw/zinc/11/13/64/948111364.db2.gz JDNRNCIEROKNIE-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573417812 948113472 /nfs/dbraw/zinc/11/34/72/948113472.db2.gz BWJGLFICHVGTNS-ZJUUUORDSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573417812 948113480 /nfs/dbraw/zinc/11/34/80/948113480.db2.gz BWJGLFICHVGTNS-ZJUUUORDSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573417806 948114243 /nfs/dbraw/zinc/11/42/43/948114243.db2.gz BWJGLFICHVGTNS-UWVGGRQHSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573417806 948114249 /nfs/dbraw/zinc/11/42/49/948114249.db2.gz BWJGLFICHVGTNS-UWVGGRQHSA-N -1 1 387.448 0.139 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001573673421 948114852 /nfs/dbraw/zinc/11/48/52/948114852.db2.gz LHNJTJOGYQJART-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573673421 948114857 /nfs/dbraw/zinc/11/48/57/948114857.db2.gz LHNJTJOGYQJART-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573418282 948117913 /nfs/dbraw/zinc/11/79/13/948117913.db2.gz FUKLVWGYMFQOKU-YUMQZZPRSA-N -1 1 378.462 0.415 20 0 GCADMM Cn1ccc(CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000826362713 948136083 /nfs/dbraw/zinc/13/60/83/948136083.db2.gz FONLBBIFYDCKKV-UHFFFAOYSA-N -1 1 383.416 0.357 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573421651 948140412 /nfs/dbraw/zinc/14/04/12/948140412.db2.gz HNCKJCLHJLQGMP-NSHDSACASA-N -1 1 390.473 0.052 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cccn1 ZINC001573678688 948152490 /nfs/dbraw/zinc/15/24/90/948152490.db2.gz HUGDVJWDLDFQSR-WCQYABFASA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cccn1 ZINC001573678688 948152495 /nfs/dbraw/zinc/15/24/95/948152495.db2.gz HUGDVJWDLDFQSR-WCQYABFASA-N -1 1 382.432 0.445 20 0 GCADMM CC(=O)N1C[C@H](C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)Oc2ccccc21 ZINC001573427159 948161807 /nfs/dbraw/zinc/16/18/07/948161807.db2.gz TZLRGVCSBYWPAI-CYBMUJFWSA-N -1 1 382.384 0.661 20 0 GCADMM CC(=O)N1C[C@H](C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)Oc2ccccc21 ZINC001573427159 948161809 /nfs/dbraw/zinc/16/18/09/948161809.db2.gz TZLRGVCSBYWPAI-CYBMUJFWSA-N -1 1 382.384 0.661 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573679979 948169163 /nfs/dbraw/zinc/16/91/63/948169163.db2.gz KQAQWSGCUMUDQH-GXTWGEPZSA-N -1 1 381.444 0.830 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573429698 948172467 /nfs/dbraw/zinc/17/24/67/948172467.db2.gz KUXPVRVPBOMIIW-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573429698 948172471 /nfs/dbraw/zinc/17/24/71/948172471.db2.gz KUXPVRVPBOMIIW-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573431596 948181087 /nfs/dbraw/zinc/18/10/87/948181087.db2.gz XPLZUVRSJBBRLJ-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573431596 948181091 /nfs/dbraw/zinc/18/10/91/948181091.db2.gz XPLZUVRSJBBRLJ-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573431609 948181108 /nfs/dbraw/zinc/18/11/08/948181108.db2.gz XQDKATDORAUIFI-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573431609 948181110 /nfs/dbraw/zinc/18/11/10/948181110.db2.gz XQDKATDORAUIFI-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573431607 948181161 /nfs/dbraw/zinc/18/11/61/948181161.db2.gz XQDKATDORAUIFI-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573431607 948181164 /nfs/dbraw/zinc/18/11/64/948181164.db2.gz XQDKATDORAUIFI-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573431933 948183406 /nfs/dbraw/zinc/18/34/06/948183406.db2.gz BYYWVUXYIVTBBI-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573431933 948183410 /nfs/dbraw/zinc/18/34/10/948183410.db2.gz BYYWVUXYIVTBBI-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cnn(C)c1 ZINC001573680662 948183499 /nfs/dbraw/zinc/18/34/99/948183499.db2.gz PDDGTULLRVSDGO-GXFFZTMASA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cnn(C)c1 ZINC001573680662 948183507 /nfs/dbraw/zinc/18/35/07/948183507.db2.gz PDDGTULLRVSDGO-GXFFZTMASA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573431932 948184034 /nfs/dbraw/zinc/18/40/34/948184034.db2.gz BYYWVUXYIVTBBI-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573431932 948184040 /nfs/dbraw/zinc/18/40/40/948184040.db2.gz BYYWVUXYIVTBBI-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573432582 948189998 /nfs/dbraw/zinc/18/99/98/948189998.db2.gz HACYYRTZDLUEMO-QGZVFWFLSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573432582 948190003 /nfs/dbraw/zinc/19/00/03/948190003.db2.gz HACYYRTZDLUEMO-QGZVFWFLSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573432870 948193482 /nfs/dbraw/zinc/19/34/82/948193482.db2.gz HTRAESWEGNDEGQ-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573432870 948193485 /nfs/dbraw/zinc/19/34/85/948193485.db2.gz HTRAESWEGNDEGQ-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573432906 948195955 /nfs/dbraw/zinc/19/59/55/948195955.db2.gz IKDDJRQAXOHPJF-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573432906 948195960 /nfs/dbraw/zinc/19/59/60/948195960.db2.gz IKDDJRQAXOHPJF-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573432892 948196055 /nfs/dbraw/zinc/19/60/55/948196055.db2.gz IHLXEXBYHMTDFC-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573432892 948196060 /nfs/dbraw/zinc/19/60/60/948196060.db2.gz IHLXEXBYHMTDFC-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM NC(=O)CCNC(=O)c1ccc(F)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826391250 948198696 /nfs/dbraw/zinc/19/86/96/948198696.db2.gz CJOQWWCTTLPNNV-UHFFFAOYSA-N -1 1 384.375 0.618 20 0 GCADMM NC(=O)CCNC(=O)c1ccc(F)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826391250 948198703 /nfs/dbraw/zinc/19/87/03/948198703.db2.gz CJOQWWCTTLPNNV-UHFFFAOYSA-N -1 1 384.375 0.618 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573681288 948199833 /nfs/dbraw/zinc/19/98/33/948199833.db2.gz UMDMIRBSKMTCRQ-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573681288 948199839 /nfs/dbraw/zinc/19/98/39/948199839.db2.gz UMDMIRBSKMTCRQ-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573681864 948214162 /nfs/dbraw/zinc/21/41/62/948214162.db2.gz YFVIUJMIVWVDLO-BXUZGUMPSA-N -1 1 379.428 0.584 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434659 948217098 /nfs/dbraw/zinc/21/70/98/948217098.db2.gz SEEMARVXJLIYRO-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434659 948217108 /nfs/dbraw/zinc/21/71/08/948217108.db2.gz SEEMARVXJLIYRO-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573689901 948219496 /nfs/dbraw/zinc/21/94/96/948219496.db2.gz ADVZMNGYRWVWFU-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573689901 948219507 /nfs/dbraw/zinc/21/95/07/948219507.db2.gz ADVZMNGYRWVWFU-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573435005 948224044 /nfs/dbraw/zinc/22/40/44/948224044.db2.gz UUOFGQANOOMVSN-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573435005 948224051 /nfs/dbraw/zinc/22/40/51/948224051.db2.gz UUOFGQANOOMVSN-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573690736 948228703 /nfs/dbraw/zinc/22/87/03/948228703.db2.gz AMJNTJAWJKPYCK-QWRGUYRKSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573690736 948228710 /nfs/dbraw/zinc/22/87/10/948228710.db2.gz AMJNTJAWJKPYCK-QWRGUYRKSA-N -1 1 385.432 0.022 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573435391 948228775 /nfs/dbraw/zinc/22/87/75/948228775.db2.gz WNHNFHCBYNSSKF-KRWDZBQOSA-N -1 1 389.485 0.487 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573435405 948228824 /nfs/dbraw/zinc/22/88/24/948228824.db2.gz WQJVPIOZXCJTBK-PIGZYNQJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573435405 948228837 /nfs/dbraw/zinc/22/88/37/948228837.db2.gz WQJVPIOZXCJTBK-PIGZYNQJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573435478 948230412 /nfs/dbraw/zinc/23/04/12/948230412.db2.gz XITNKRHRNGVPKG-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573435478 948230422 /nfs/dbraw/zinc/23/04/22/948230422.db2.gz XITNKRHRNGVPKG-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cncn1 ZINC001573691401 948241955 /nfs/dbraw/zinc/24/19/55/948241955.db2.gz GNHPANGNGYZOCA-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cncn1 ZINC001573691401 948241963 /nfs/dbraw/zinc/24/19/63/948241963.db2.gz GNHPANGNGYZOCA-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573439261 948244052 /nfs/dbraw/zinc/24/40/52/948244052.db2.gz KGKOJVKLIJJDCS-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573439261 948244062 /nfs/dbraw/zinc/24/40/62/948244062.db2.gz KGKOJVKLIJJDCS-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439776 948250792 /nfs/dbraw/zinc/25/07/92/948250792.db2.gz RVEZBKQOLAUSFQ-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439776 948250799 /nfs/dbraw/zinc/25/07/99/948250799.db2.gz RVEZBKQOLAUSFQ-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)CCCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439769 948250813 /nfs/dbraw/zinc/25/08/13/948250813.db2.gz RPZUMDFNBRBLIM-ZDUSSCGKSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)CCCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439769 948250821 /nfs/dbraw/zinc/25/08/21/948250821.db2.gz RPZUMDFNBRBLIM-ZDUSSCGKSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573439721 948251211 /nfs/dbraw/zinc/25/12/11/948251211.db2.gz QGZVNFPSUIEUFF-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573439721 948251221 /nfs/dbraw/zinc/25/12/21/948251221.db2.gz QGZVNFPSUIEUFF-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cccn1 ZINC001573692395 948263525 /nfs/dbraw/zinc/26/35/25/948263525.db2.gz PJOZSGVSZKTBOA-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cccn1 ZINC001573692395 948263534 /nfs/dbraw/zinc/26/35/34/948263534.db2.gz PJOZSGVSZKTBOA-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826424818 948272532 /nfs/dbraw/zinc/27/25/32/948272532.db2.gz DYHXKUJGZXUGMW-VIFPVBQESA-N -1 1 396.337 0.537 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826424864 948272591 /nfs/dbraw/zinc/27/25/91/948272591.db2.gz GZOBFHPIOYPOLO-JOYOIKCWSA-N -1 1 376.327 0.071 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826425200 948274637 /nfs/dbraw/zinc/27/46/37/948274637.db2.gz UBXVVZCTZRZZBO-BXKDBHETSA-N -1 1 376.327 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)Nc2c(C)c(-c3nnn[n-]3)nn2-c2cccnc2)C1 ZINC001573441786 948277541 /nfs/dbraw/zinc/27/75/41/948277541.db2.gz BKVQJBFHGAGEDY-CYBMUJFWSA-N -1 1 395.427 0.953 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)Nc2c(C)c(-c3nn[n-]n3)nn2-c2cccnc2)C1 ZINC001573441786 948277550 /nfs/dbraw/zinc/27/75/50/948277550.db2.gz BKVQJBFHGAGEDY-CYBMUJFWSA-N -1 1 395.427 0.953 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573693571 948282974 /nfs/dbraw/zinc/28/29/74/948282974.db2.gz AEIBMJRIABCJCV-PSLIRLAXSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573443813 948307441 /nfs/dbraw/zinc/30/74/41/948307441.db2.gz PROVWDZBBXPFKF-SKDRFNHKSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(C)(F)F ZINC001573696060 948316477 /nfs/dbraw/zinc/31/64/77/948316477.db2.gz KHQNUUCMBJEGHN-DBIOUOCHSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(C)(F)F ZINC001573696060 948316486 /nfs/dbraw/zinc/31/64/86/948316486.db2.gz KHQNUUCMBJEGHN-DBIOUOCHSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573696210 948319348 /nfs/dbraw/zinc/31/93/48/948319348.db2.gz MCCMTTRXJLWPNU-GTNSWQLSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573696223 948320600 /nfs/dbraw/zinc/32/06/00/948320600.db2.gz MGJRDLCRMZDLIZ-NSHDSACASA-N -1 1 388.457 0.049 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573446197 948324972 /nfs/dbraw/zinc/32/49/72/948324972.db2.gz AJSHXVDYKLFVGT-CQSZACIVSA-N -1 1 389.485 0.582 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573696544 948329275 /nfs/dbraw/zinc/32/92/75/948329275.db2.gz RVVVMLPIGXZRBP-QWRGUYRKSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573696544 948329285 /nfs/dbraw/zinc/32/92/85/948329285.db2.gz RVVVMLPIGXZRBP-QWRGUYRKSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(F)(F)F ZINC001573696722 948332674 /nfs/dbraw/zinc/33/26/74/948332674.db2.gz WJQMQTFTDOBQDZ-AATLWQCWSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(F)(F)F ZINC001573696722 948332683 /nfs/dbraw/zinc/33/26/83/948332683.db2.gz WJQMQTFTDOBQDZ-AATLWQCWSA-N -1 1 382.350 0.654 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573446673 948334078 /nfs/dbraw/zinc/33/40/78/948334078.db2.gz MBHMPPXKDVAFLV-IINYFYTJSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573446673 948334086 /nfs/dbraw/zinc/33/40/86/948334086.db2.gz MBHMPPXKDVAFLV-IINYFYTJSA-N -1 1 387.448 0.283 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573702541 948346480 /nfs/dbraw/zinc/34/64/80/948346480.db2.gz FCRJVIVQKSLCGV-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573702541 948346490 /nfs/dbraw/zinc/34/64/90/948346490.db2.gz FCRJVIVQKSLCGV-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573702543 948347383 /nfs/dbraw/zinc/34/73/83/948347383.db2.gz FCTDKXJMVZEZSO-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573702543 948347389 /nfs/dbraw/zinc/34/73/89/948347389.db2.gz FCTDKXJMVZEZSO-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573703126 948352015 /nfs/dbraw/zinc/35/20/15/948352015.db2.gz IESJSYJITOCMHB-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573704023 948364962 /nfs/dbraw/zinc/36/49/62/948364962.db2.gz OBTJUKZRDBZXTL-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573704023 948364967 /nfs/dbraw/zinc/36/49/67/948364967.db2.gz OBTJUKZRDBZXTL-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573704159 948365438 /nfs/dbraw/zinc/36/54/38/948365438.db2.gz PSWQVTLYFKRLHQ-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573704159 948365448 /nfs/dbraw/zinc/36/54/48/948365448.db2.gz PSWQVTLYFKRLHQ-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573704156 948366052 /nfs/dbraw/zinc/36/60/52/948366052.db2.gz PSWQVTLYFKRLHQ-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573704156 948366061 /nfs/dbraw/zinc/36/60/61/948366061.db2.gz PSWQVTLYFKRLHQ-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C1CCC1 ZINC001573704876 948384520 /nfs/dbraw/zinc/38/45/20/948384520.db2.gz BUDHCHIWXCAZEF-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C1CCC1 ZINC001573704876 948384528 /nfs/dbraw/zinc/38/45/28/948384528.db2.gz BUDHCHIWXCAZEF-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CCCC1 ZINC001573705360 948398047 /nfs/dbraw/zinc/39/80/47/948398047.db2.gz DYWACJSSPBXEPW-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CCCC1 ZINC001573705360 948398053 /nfs/dbraw/zinc/39/80/53/948398053.db2.gz DYWACJSSPBXEPW-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CCCC1 ZINC001573705363 948398358 /nfs/dbraw/zinc/39/83/58/948398358.db2.gz DYWACJSSPBXEPW-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CCCC1 ZINC001573705363 948398370 /nfs/dbraw/zinc/39/83/70/948398370.db2.gz DYWACJSSPBXEPW-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CCCC1 ZINC001573705347 948399064 /nfs/dbraw/zinc/39/90/64/948399064.db2.gz DWUPTNUDKWVPQJ-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CCCC1 ZINC001573705347 948399075 /nfs/dbraw/zinc/39/90/75/948399075.db2.gz DWUPTNUDKWVPQJ-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487818 948401242 /nfs/dbraw/zinc/40/12/42/948401242.db2.gz AVWOLPOTMBPXMZ-VIFPVBQESA-N -1 1 394.354 0.921 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)c1ccco1 ZINC001573705537 948401853 /nfs/dbraw/zinc/40/18/53/948401853.db2.gz FWUQUKHJLGSWNG-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)c1ccco1 ZINC001573705537 948401858 /nfs/dbraw/zinc/40/18/58/948401858.db2.gz FWUQUKHJLGSWNG-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573705550 948404495 /nfs/dbraw/zinc/40/44/95/948404495.db2.gz FZSGVMZRNSIKGL-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573705681 948406141 /nfs/dbraw/zinc/40/61/41/948406141.db2.gz IUBWMOHRTLAOMB-NEPJUHHUSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573705681 948406148 /nfs/dbraw/zinc/40/61/48/948406148.db2.gz IUBWMOHRTLAOMB-NEPJUHHUSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573705685 948406752 /nfs/dbraw/zinc/40/67/52/948406752.db2.gz IUBWMOHRTLAOMB-RYUDHWBXSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573705685 948406756 /nfs/dbraw/zinc/40/67/56/948406756.db2.gz IUBWMOHRTLAOMB-RYUDHWBXSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NCC[C@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[n-]n2)n1 ZINC001573706017 948410961 /nfs/dbraw/zinc/41/09/61/948410961.db2.gz HZEXFPRZCMCXIP-QWHCGFSZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573706254 948415656 /nfs/dbraw/zinc/41/56/56/948415656.db2.gz ZRXHQDAUQSYIJM-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573706636 948422495 /nfs/dbraw/zinc/42/24/95/948422495.db2.gz JYSGMLXCRUNIDC-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573706636 948422505 /nfs/dbraw/zinc/42/25/05/948422505.db2.gz JYSGMLXCRUNIDC-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCCC1 ZINC001573706625 948422690 /nfs/dbraw/zinc/42/26/90/948422690.db2.gz JTAJSHFWOLLLGN-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCCC1 ZINC001573706625 948422694 /nfs/dbraw/zinc/42/26/94/948422694.db2.gz JTAJSHFWOLLLGN-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(C)(F)F ZINC001573706663 948423234 /nfs/dbraw/zinc/42/32/34/948423234.db2.gz KJWKALYNYDLJFN-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(C)(F)F ZINC001573706663 948423240 /nfs/dbraw/zinc/42/32/40/948423240.db2.gz KJWKALYNYDLJFN-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573706869 948426968 /nfs/dbraw/zinc/42/69/68/948426968.db2.gz LKVQYJJIMOATPM-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573706869 948426974 /nfs/dbraw/zinc/42/69/74/948426974.db2.gz LKVQYJJIMOATPM-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573707411 948431321 /nfs/dbraw/zinc/43/13/21/948431321.db2.gz NQBCQOYQBWMZHP-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573707411 948431325 /nfs/dbraw/zinc/43/13/25/948431325.db2.gz NQBCQOYQBWMZHP-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573707413 948431948 /nfs/dbraw/zinc/43/19/48/948431948.db2.gz NQBCQOYQBWMZHP-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573707413 948431953 /nfs/dbraw/zinc/43/19/53/948431953.db2.gz NQBCQOYQBWMZHP-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(F)(F)F ZINC001573707465 948433561 /nfs/dbraw/zinc/43/35/61/948433561.db2.gz NUUYMQVRUVVGRO-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(F)(F)F ZINC001573707465 948433567 /nfs/dbraw/zinc/43/35/67/948433567.db2.gz NUUYMQVRUVVGRO-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCCC1 ZINC001573707975 948441526 /nfs/dbraw/zinc/44/15/26/948441526.db2.gz QMAMCPRHFSCVTO-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCCC1 ZINC001573707975 948441531 /nfs/dbraw/zinc/44/15/31/948441531.db2.gz QMAMCPRHFSCVTO-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573707980 948441568 /nfs/dbraw/zinc/44/15/68/948441568.db2.gz QMSKYUGIPUVPGF-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573707980 948441572 /nfs/dbraw/zinc/44/15/72/948441572.db2.gz QMSKYUGIPUVPGF-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573708148 948445332 /nfs/dbraw/zinc/44/53/32/948445332.db2.gz RZMVBYCBLLUCKJ-GFCCVEGCSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573708148 948445335 /nfs/dbraw/zinc/44/53/35/948445335.db2.gz RZMVBYCBLLUCKJ-GFCCVEGCSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573708488 948452364 /nfs/dbraw/zinc/45/23/64/948452364.db2.gz VHBHPWKEQDTMOY-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573708488 948452371 /nfs/dbraw/zinc/45/23/71/948452371.db2.gz VHBHPWKEQDTMOY-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573708890 948462424 /nfs/dbraw/zinc/46/24/24/948462424.db2.gz YHGJWELVAJKTOI-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573708890 948462428 /nfs/dbraw/zinc/46/24/28/948462428.db2.gz YHGJWELVAJKTOI-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573708942 948463493 /nfs/dbraw/zinc/46/34/93/948463493.db2.gz ZCWQCHTXCHKIKC-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573708943 948464151 /nfs/dbraw/zinc/46/41/51/948464151.db2.gz ZCWQCHTXCHKIKC-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573713936 948467337 /nfs/dbraw/zinc/46/73/37/948467337.db2.gz CJNQXIOMDCYPOM-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573713936 948467342 /nfs/dbraw/zinc/46/73/42/948467342.db2.gz CJNQXIOMDCYPOM-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573715420 948489208 /nfs/dbraw/zinc/48/92/08/948489208.db2.gz VWPWSUUMJIHIRB-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573715420 948489214 /nfs/dbraw/zinc/48/92/14/948489214.db2.gz VWPWSUUMJIHIRB-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCCOCCN(C)c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573715911 948494864 /nfs/dbraw/zinc/49/48/64/948494864.db2.gz ARXLWDVWEJGIGM-OLZOCXBDSA-N -1 1 390.448 0.041 20 0 GCADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1cnn(C)c1 ZINC001573717145 948503879 /nfs/dbraw/zinc/50/38/79/948503879.db2.gz BZPRSWJTZAMDHL-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1cnn(C)c1 ZINC001573717145 948503884 /nfs/dbraw/zinc/50/38/84/948503884.db2.gz BZPRSWJTZAMDHL-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573717513 948510040 /nfs/dbraw/zinc/51/00/40/948510040.db2.gz DSLLZHPZTFWOHS-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NCCOCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573718776 948519800 /nfs/dbraw/zinc/51/98/00/948519800.db2.gz SLTNZKHAZKOTJL-VIFPVBQESA-N -1 1 388.354 0.424 20 0 GCADMM C[C@@H](C(=O)NCCOCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573718776 948519803 /nfs/dbraw/zinc/51/98/03/948519803.db2.gz SLTNZKHAZKOTJL-VIFPVBQESA-N -1 1 388.354 0.424 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573726813 948551995 /nfs/dbraw/zinc/55/19/95/948551995.db2.gz KUQMXVVBEMQKSB-FRRDWIJNSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573726813 948552001 /nfs/dbraw/zinc/55/20/01/948552001.db2.gz KUQMXVVBEMQKSB-FRRDWIJNSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573726754 948552258 /nfs/dbraw/zinc/55/22/58/948552258.db2.gz JYBXRBFRMMSRIX-FRRDWIJNSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573726754 948552264 /nfs/dbraw/zinc/55/22/64/948552264.db2.gz JYBXRBFRMMSRIX-FRRDWIJNSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001573727752 948556890 /nfs/dbraw/zinc/55/68/90/948556890.db2.gz CBRMIVCHZUJZKP-SNVBAGLBSA-N -1 1 390.400 0.879 20 0 GCADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001573727752 948556892 /nfs/dbraw/zinc/55/68/92/948556892.db2.gz CBRMIVCHZUJZKP-SNVBAGLBSA-N -1 1 390.400 0.879 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573728984 948563116 /nfs/dbraw/zinc/56/31/16/948563116.db2.gz RVCFDDKACHZQTA-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573728984 948563124 /nfs/dbraw/zinc/56/31/24/948563124.db2.gz RVCFDDKACHZQTA-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573730380 948580968 /nfs/dbraw/zinc/58/09/68/948580968.db2.gz PKULLXXPIUGOPX-OBJOEFQTSA-N -1 1 379.428 0.584 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573736228 948612475 /nfs/dbraw/zinc/61/24/75/948612475.db2.gz JLDWULBECFDAEU-MGPQQGTHSA-N -1 1 381.444 0.981 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573736104 948613125 /nfs/dbraw/zinc/61/31/25/948613125.db2.gz ILYRZPWLSHMEOV-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573736104 948613129 /nfs/dbraw/zinc/61/31/29/948613129.db2.gz ILYRZPWLSHMEOV-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cccs1 ZINC001573740073 948627213 /nfs/dbraw/zinc/62/72/13/948627213.db2.gz CZAPXLVCSIRHFM-MXWKQRLJSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccc(F)c1 ZINC001573740165 948629136 /nfs/dbraw/zinc/62/91/36/948629136.db2.gz GLDSBUNHEORHPS-COLVAYQJSA-N -1 1 398.402 0.265 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccc(F)c1 ZINC001573740165 948629139 /nfs/dbraw/zinc/62/91/39/948629139.db2.gz GLDSBUNHEORHPS-COLVAYQJSA-N -1 1 398.402 0.265 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1ccsc1 ZINC001573740370 948632367 /nfs/dbraw/zinc/63/23/67/948632367.db2.gz JLZDFPUEGVOQLQ-ZWKOPEQDSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1ccsc1 ZINC001573740370 948632373 /nfs/dbraw/zinc/63/23/73/948632373.db2.gz JLZDFPUEGVOQLQ-ZWKOPEQDSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccccc1F ZINC001573741075 948648288 /nfs/dbraw/zinc/64/82/88/948648288.db2.gz SCIFZSRGWWDIGG-GDLCADMTSA-N -1 1 398.402 0.265 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573743160 948667495 /nfs/dbraw/zinc/66/74/95/948667495.db2.gz ZNQZXBJDHCAWSI-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573743160 948667498 /nfs/dbraw/zinc/66/74/98/948667498.db2.gz ZNQZXBJDHCAWSI-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573743159 948667715 /nfs/dbraw/zinc/66/77/15/948667715.db2.gz ZNQZXBJDHCAWSI-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573743159 948667719 /nfs/dbraw/zinc/66/77/19/948667719.db2.gz ZNQZXBJDHCAWSI-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573745145 948669190 /nfs/dbraw/zinc/66/91/90/948669190.db2.gz AYXCXVACJGJYPN-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573745145 948669197 /nfs/dbraw/zinc/66/91/97/948669197.db2.gz AYXCXVACJGJYPN-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573745712 948676070 /nfs/dbraw/zinc/67/60/70/948676070.db2.gz GYOMGZDPIPPBAF-SRVKXCTJSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573745712 948676077 /nfs/dbraw/zinc/67/60/77/948676077.db2.gz GYOMGZDPIPPBAF-SRVKXCTJSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573748463 948696477 /nfs/dbraw/zinc/69/64/77/948696477.db2.gz UJWXIGYPSFIPKZ-DCAQKATOSA-N -1 1 391.436 0.439 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cccnc1 ZINC001573753645 948720277 /nfs/dbraw/zinc/72/02/77/948720277.db2.gz WNNJSAXDCJIMSF-KBNOKHGBSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cccnc1 ZINC001573753645 948720284 /nfs/dbraw/zinc/72/02/84/948720284.db2.gz WNNJSAXDCJIMSF-KBNOKHGBSA-N -1 1 377.412 0.406 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574075289 948744514 /nfs/dbraw/zinc/74/45/14/948744514.db2.gz WTTMCAUAUVLIJB-WFASDCNBSA-N -1 1 392.439 0.441 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574075289 948744521 /nfs/dbraw/zinc/74/45/21/948744521.db2.gz WTTMCAUAUVLIJB-WFASDCNBSA-N -1 1 392.439 0.441 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574914306 948748297 /nfs/dbraw/zinc/74/82/97/948748297.db2.gz IEDZNFNMFCZCJP-NSHDSACASA-N -1 1 383.416 0.331 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574914306 948748304 /nfs/dbraw/zinc/74/83/04/948748304.db2.gz IEDZNFNMFCZCJP-NSHDSACASA-N -1 1 383.416 0.331 20 0 GCADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001574416407 948748588 /nfs/dbraw/zinc/74/85/88/948748588.db2.gz UTAZETINFXOJKQ-CYBMUJFWSA-N -1 1 379.428 0.924 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001574678412 948748830 /nfs/dbraw/zinc/74/88/30/948748830.db2.gz FPJWXRAOYJCYKO-GHMZBOCLSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001574678412 948748837 /nfs/dbraw/zinc/74/88/37/948748837.db2.gz FPJWXRAOYJCYKO-GHMZBOCLSA-N -1 1 382.432 0.492 20 0 GCADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001574416408 948749285 /nfs/dbraw/zinc/74/92/85/948749285.db2.gz UTAZETINFXOJKQ-ZDUSSCGKSA-N -1 1 379.428 0.924 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001574416602 948751530 /nfs/dbraw/zinc/75/15/30/948751530.db2.gz ZHLSSCVWYDRGKA-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001574416602 948751539 /nfs/dbraw/zinc/75/15/39/948751539.db2.gz ZHLSSCVWYDRGKA-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574678514 948752512 /nfs/dbraw/zinc/75/25/12/948752512.db2.gz GNUYQQHKUDWTDA-SSDOTTSWSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574678514 948752520 /nfs/dbraw/zinc/75/25/20/948752520.db2.gz GNUYQQHKUDWTDA-SSDOTTSWSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574678673 948755718 /nfs/dbraw/zinc/75/57/18/948755718.db2.gz HYWRIZWDWTXSQJ-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574678673 948755730 /nfs/dbraw/zinc/75/57/30/948755730.db2.gz HYWRIZWDWTXSQJ-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC[C@H]1CCCO1 ZINC001574678799 948759649 /nfs/dbraw/zinc/75/96/49/948759649.db2.gz IYVFAWBBKXEHTI-NWDGAFQWSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC[C@H]1CCCO1 ZINC001574678799 948759659 /nfs/dbraw/zinc/75/96/59/948759659.db2.gz IYVFAWBBKXEHTI-NWDGAFQWSA-N -1 1 376.421 0.159 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574417050 948761968 /nfs/dbraw/zinc/76/19/68/948761968.db2.gz KFMAKIOCANJUAJ-AWEZNQCLSA-N -1 1 382.428 0.405 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574678883 948764136 /nfs/dbraw/zinc/76/41/36/948764136.db2.gz KUMQONZCFCDVTE-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574678883 948764147 /nfs/dbraw/zinc/76/41/47/948764147.db2.gz KUMQONZCFCDVTE-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417106 948764889 /nfs/dbraw/zinc/76/48/89/948764889.db2.gz LFNMKXCKWSCMEP-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417106 948764903 /nfs/dbraw/zinc/76/49/03/948764903.db2.gz LFNMKXCKWSCMEP-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574915833 948771228 /nfs/dbraw/zinc/77/12/28/948771228.db2.gz XSVRKZZATRDBFQ-LLVKDONJSA-N -1 1 383.416 0.331 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574915833 948771237 /nfs/dbraw/zinc/77/12/37/948771237.db2.gz XSVRKZZATRDBFQ-LLVKDONJSA-N -1 1 383.416 0.331 20 0 GCADMM C[C@@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574915904 948772703 /nfs/dbraw/zinc/77/27/03/948772703.db2.gz YZWFLRFBQRFAKD-JTQLQIEISA-N -1 1 388.382 0.906 20 0 GCADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001574079707 948774553 /nfs/dbraw/zinc/77/45/53/948774553.db2.gz FPBRLWYHGGBQBW-CSMHCCOUSA-N -1 1 389.844 0.636 20 0 GCADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001574079707 948774564 /nfs/dbraw/zinc/77/45/64/948774564.db2.gz FPBRLWYHGGBQBW-CSMHCCOUSA-N -1 1 389.844 0.636 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574679350 948778290 /nfs/dbraw/zinc/77/82/90/948778290.db2.gz TVMPKUBQDAFXSF-NEPJUHHUSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574679350 948778300 /nfs/dbraw/zinc/77/83/00/948778300.db2.gz TVMPKUBQDAFXSF-NEPJUHHUSA-N -1 1 383.416 0.826 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)c1nncn1C ZINC001574079968 948779821 /nfs/dbraw/zinc/77/98/21/948779821.db2.gz MIJPMHWBNHYOFN-NSHDSACASA-N -1 1 382.475 0.873 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COCc1cccnc1 ZINC001574679429 948780930 /nfs/dbraw/zinc/78/09/30/948780930.db2.gz VFZSHZDKYXDQQJ-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COCc1cccnc1 ZINC001574679429 948780938 /nfs/dbraw/zinc/78/09/38/948780938.db2.gz VFZSHZDKYXDQQJ-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C)c1C(F)F ZINC001574679509 948786155 /nfs/dbraw/zinc/78/61/55/948786155.db2.gz WPBYCIKGXNUKKP-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C)c1C(F)F ZINC001574679509 948786171 /nfs/dbraw/zinc/78/61/71/948786171.db2.gz WPBYCIKGXNUKKP-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574679537 948786336 /nfs/dbraw/zinc/78/63/36/948786336.db2.gz XJTSONUXVMOKLO-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574679537 948786347 /nfs/dbraw/zinc/78/63/47/948786347.db2.gz XJTSONUXVMOKLO-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574679612 948788284 /nfs/dbraw/zinc/78/82/84/948788284.db2.gz YSBSHBRCNCVITP-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574679612 948788293 /nfs/dbraw/zinc/78/82/93/948788293.db2.gz YSBSHBRCNCVITP-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1occ2c1CCOC2 ZINC001574679564 948788814 /nfs/dbraw/zinc/78/88/14/948788814.db2.gz YDBGMZJMRQRORJ-JTQLQIEISA-N -1 1 384.400 0.943 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1occ2c1CCOC2 ZINC001574679564 948788826 /nfs/dbraw/zinc/78/88/26/948788826.db2.gz YDBGMZJMRQRORJ-JTQLQIEISA-N -1 1 384.400 0.943 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccnn1CC(F)F ZINC001574679885 948791349 /nfs/dbraw/zinc/79/13/49/948791349.db2.gz AOYNEWGPOFNKFD-VIFPVBQESA-N -1 1 392.374 0.739 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccnn1CC(F)F ZINC001574679885 948791364 /nfs/dbraw/zinc/79/13/64/948791364.db2.gz AOYNEWGPOFNKFD-VIFPVBQESA-N -1 1 392.374 0.739 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574680113 948801420 /nfs/dbraw/zinc/80/14/20/948801420.db2.gz DOEIVWULXSPPTD-NSHDSACASA-N -1 1 389.464 0.516 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574680113 948801433 /nfs/dbraw/zinc/80/14/33/948801433.db2.gz DOEIVWULXSPPTD-NSHDSACASA-N -1 1 389.464 0.516 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574420587 948801924 /nfs/dbraw/zinc/80/19/24/948801924.db2.gz ZHHUCALMQCVZJH-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574420587 948801935 /nfs/dbraw/zinc/80/19/35/948801935.db2.gz ZHHUCALMQCVZJH-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574680442 948802691 /nfs/dbraw/zinc/80/26/91/948802691.db2.gz GZXYERYGTSXMIU-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574680442 948802713 /nfs/dbraw/zinc/80/27/13/948802713.db2.gz GZXYERYGTSXMIU-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c(F)cncc1F ZINC001574680364 948803260 /nfs/dbraw/zinc/80/32/60/948803260.db2.gz GNJUJAWLGVRWHH-MRVPVSSYSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c(F)cncc1F ZINC001574680364 948803275 /nfs/dbraw/zinc/80/32/75/948803275.db2.gz GNJUJAWLGVRWHH-MRVPVSSYSA-N -1 1 375.343 0.950 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001574420853 948807731 /nfs/dbraw/zinc/80/77/31/948807731.db2.gz BYXVNKRTUHVODF-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574420853 948807750 /nfs/dbraw/zinc/80/77/50/948807750.db2.gz BYXVNKRTUHVODF-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574680968 948813881 /nfs/dbraw/zinc/81/38/81/948813881.db2.gz KYMMQYAVISQUEB-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574680968 948813895 /nfs/dbraw/zinc/81/38/95/948813895.db2.gz KYMMQYAVISQUEB-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574421412 948818446 /nfs/dbraw/zinc/81/84/46/948818446.db2.gz KDJUFQAASRYWBM-VXGBXAGGSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@@H](C(=O)Nc1ccccc1CS(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573756878 948825837 /nfs/dbraw/zinc/82/58/37/948825837.db2.gz VEQVKZSTFRBLMQ-VIFPVBQESA-N -1 1 376.402 0.203 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575227063 948826371 /nfs/dbraw/zinc/82/63/71/948826371.db2.gz RLYMSTKGQZBUPM-HNNXBMFYSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575227063 948826386 /nfs/dbraw/zinc/82/63/86/948826386.db2.gz RLYMSTKGQZBUPM-HNNXBMFYSA-N -1 1 382.375 0.467 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574682134 948826286 /nfs/dbraw/zinc/82/62/86/948826286.db2.gz OVYPZTFJOIBFNJ-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574682134 948826313 /nfs/dbraw/zinc/82/63/13/948826313.db2.gz OVYPZTFJOIBFNJ-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1nn(C)cc1Cl ZINC001574682168 948827539 /nfs/dbraw/zinc/82/75/39/948827539.db2.gz PGGXRABMKMRXBH-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1nn(C)cc1Cl ZINC001574682168 948827558 /nfs/dbraw/zinc/82/75/58/948827558.db2.gz PGGXRABMKMRXBH-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574682260 948834015 /nfs/dbraw/zinc/83/40/15/948834015.db2.gz QVJAWLVJHXSLEQ-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574682260 948834031 /nfs/dbraw/zinc/83/40/31/948834031.db2.gz QVJAWLVJHXSLEQ-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574682744 948834123 /nfs/dbraw/zinc/83/41/23/948834123.db2.gz RCTCCEIBEIIHCV-KGYLQXTDSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574682744 948834139 /nfs/dbraw/zinc/83/41/39/948834139.db2.gz RCTCCEIBEIIHCV-KGYLQXTDSA-N -1 1 382.432 0.501 20 0 GCADMM CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574423992 948836629 /nfs/dbraw/zinc/83/66/29/948836629.db2.gz AHYIONMFOCTYFN-SNVBAGLBSA-N -1 1 388.457 0.466 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574683091 948837620 /nfs/dbraw/zinc/83/76/20/948837620.db2.gz UJTZELVYPKFDAB-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574683091 948837631 /nfs/dbraw/zinc/83/76/31/948837631.db2.gz UJTZELVYPKFDAB-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574918278 948839991 /nfs/dbraw/zinc/83/99/91/948839991.db2.gz IEBVXDFESOUWBF-GFCCVEGCSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574918278 948840019 /nfs/dbraw/zinc/84/00/19/948840019.db2.gz IEBVXDFESOUWBF-GFCCVEGCSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684501 948871173 /nfs/dbraw/zinc/87/11/73/948871173.db2.gz HMPUEGZMSZDWOP-NKWVEPMBSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684501 948871183 /nfs/dbraw/zinc/87/11/83/948871183.db2.gz HMPUEGZMSZDWOP-NKWVEPMBSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ncn(C)n1 ZINC001574684542 948875224 /nfs/dbraw/zinc/87/52/24/948875224.db2.gz IAVQEYTWLQXPQU-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM CC(C)(C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001573763808 948876440 /nfs/dbraw/zinc/87/64/40/948876440.db2.gz IHDSPUXUFMCQQK-UHFFFAOYSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1COCCO1 ZINC001574684643 948879010 /nfs/dbraw/zinc/87/90/10/948879010.db2.gz JPYFHVDNJMZBNJ-JGVFFNPUSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1COCCO1 ZINC001574684643 948879031 /nfs/dbraw/zinc/87/90/31/948879031.db2.gz JPYFHVDNJMZBNJ-JGVFFNPUSA-N -1 1 387.853 0.699 20 0 GCADMM CC(C)c1nc(CCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cs1 ZINC001574425693 948879545 /nfs/dbraw/zinc/87/95/45/948879545.db2.gz KPZIKBBWXMASRM-UHFFFAOYSA-N -1 1 390.429 0.068 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1nnn(C)n1 ZINC001574684678 948881114 /nfs/dbraw/zinc/88/11/14/948881114.db2.gz KPEAVDMWZFMXMR-RXMQYKEDSA-N -1 1 383.829 0.121 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1nnn(C)n1 ZINC001574684678 948881131 /nfs/dbraw/zinc/88/11/31/948881131.db2.gz KPEAVDMWZFMXMR-RXMQYKEDSA-N -1 1 383.829 0.121 20 0 GCADMM CC(C)(C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573763975 948882144 /nfs/dbraw/zinc/88/21/44/948882144.db2.gz JPKAHSOCGPAZLH-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573763975 948882163 /nfs/dbraw/zinc/88/21/63/948882163.db2.gz JPKAHSOCGPAZLH-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574426569 948890711 /nfs/dbraw/zinc/89/07/11/948890711.db2.gz SFLGCUIXCNNRQB-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574426569 948890734 /nfs/dbraw/zinc/89/07/34/948890734.db2.gz SFLGCUIXCNNRQB-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CC(N)=O)C(=O)N[C@@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574684871 948890861 /nfs/dbraw/zinc/89/08/61/948890861.db2.gz OBGJQOVTUAMCHB-RQJHMYQMSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cn(C)nn1 ZINC001574684844 948891297 /nfs/dbraw/zinc/89/12/97/948891297.db2.gz NNEUXEDNAJJZEL-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574920397 948898790 /nfs/dbraw/zinc/89/87/90/948898790.db2.gz KCCFUTWPZSNVHI-SNVBAGLBSA-N -1 1 386.420 0.134 20 0 GCADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCCOCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574087858 948902286 /nfs/dbraw/zinc/90/22/86/948902286.db2.gz BJSRSELDEXTJIT-SCLBCKFNSA-N -1 1 388.476 0.908 20 0 GCADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCCOCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574087858 948902307 /nfs/dbraw/zinc/90/23/07/948902307.db2.gz BJSRSELDEXTJIT-SCLBCKFNSA-N -1 1 388.476 0.908 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cn1cncn1 ZINC001574685213 948902839 /nfs/dbraw/zinc/90/28/39/948902839.db2.gz SVDFYHATKVZJJQ-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)(C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573765191 948903517 /nfs/dbraw/zinc/90/35/17/948903517.db2.gz WEABJSOKZHXSDC-UHFFFAOYSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573765191 948903531 /nfs/dbraw/zinc/90/35/31/948903531.db2.gz WEABJSOKZHXSDC-UHFFFAOYSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCCO1 ZINC001573765432 948908156 /nfs/dbraw/zinc/90/81/56/948908156.db2.gz FISGIEQINDGQIE-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCCO1 ZINC001573765432 948908171 /nfs/dbraw/zinc/90/81/71/948908171.db2.gz FISGIEQINDGQIE-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1cncn1 ZINC001574685447 948912125 /nfs/dbraw/zinc/91/21/25/948912125.db2.gz WNPKDQIFNHFVJS-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1cncn1 ZINC001574685447 948912129 /nfs/dbraw/zinc/91/21/29/948912129.db2.gz WNPKDQIFNHFVJS-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575235480 948918731 /nfs/dbraw/zinc/91/87/31/948918731.db2.gz MENSSQCGDIJPKO-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575235480 948918747 /nfs/dbraw/zinc/91/87/47/948918747.db2.gz MENSSQCGDIJPKO-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574921424 948920165 /nfs/dbraw/zinc/92/01/65/948920165.db2.gz XAUFAUIYXULZIG-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574921424 948920175 /nfs/dbraw/zinc/92/01/75/948920175.db2.gz XAUFAUIYXULZIG-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1ncncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001574431829 948926089 /nfs/dbraw/zinc/92/60/89/948926089.db2.gz CKPVIFNTCNDWMC-RYUDHWBXSA-N -1 1 392.427 0.673 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574432688 948938482 /nfs/dbraw/zinc/93/84/82/948938482.db2.gz AEBARJWWHVOQLF-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574432688 948938495 /nfs/dbraw/zinc/93/84/95/948938495.db2.gz AEBARJWWHVOQLF-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574432870 948943696 /nfs/dbraw/zinc/94/36/96/948943696.db2.gz GBAJKARDQQSBET-UHFFFAOYSA-N -1 1 384.448 0.722 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574432870 948943704 /nfs/dbraw/zinc/94/37/04/948943704.db2.gz GBAJKARDQQSBET-UHFFFAOYSA-N -1 1 384.448 0.722 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433110 948946728 /nfs/dbraw/zinc/94/67/28/948946728.db2.gz HMDJRESXQVJEHH-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433110 948946740 /nfs/dbraw/zinc/94/67/40/948946740.db2.gz HMDJRESXQVJEHH-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574923423 948950054 /nfs/dbraw/zinc/95/00/54/948950054.db2.gz MDUHBLAWKIQALF-JTQLQIEISA-N -1 1 390.839 0.761 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574923423 948950067 /nfs/dbraw/zinc/95/00/67/948950067.db2.gz MDUHBLAWKIQALF-JTQLQIEISA-N -1 1 390.839 0.761 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433169 948950713 /nfs/dbraw/zinc/95/07/13/948950713.db2.gz JWGGSMIHZWSNFW-PHIMTYICSA-N -1 1 382.432 0.308 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574433460 948955778 /nfs/dbraw/zinc/95/57/78/948955778.db2.gz NZHZBCVRUABPEW-XYPYZODXSA-N -1 1 382.432 0.887 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574433460 948955789 /nfs/dbraw/zinc/95/57/89/948955789.db2.gz NZHZBCVRUABPEW-XYPYZODXSA-N -1 1 382.432 0.887 20 0 GCADMM C[C@@H](CNC(=O)CCn1ccnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574923592 948957202 /nfs/dbraw/zinc/95/72/02/948957202.db2.gz PUNPAMPTAUYXNV-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574433412 948957529 /nfs/dbraw/zinc/95/75/29/948957529.db2.gz MHXJWEIXYVFCIB-LLVKDONJSA-N -1 1 384.448 0.768 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C(F)F ZINC001573772353 948958128 /nfs/dbraw/zinc/95/81/28/948958128.db2.gz AOEBSNNFFKBOHY-IUCAKERBSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C(F)F ZINC001573772353 948958133 /nfs/dbraw/zinc/95/81/33/948958133.db2.gz AOEBSNNFFKBOHY-IUCAKERBSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCCO1 ZINC001573772408 948958559 /nfs/dbraw/zinc/95/85/59/948958559.db2.gz BIUBBFNTXLBSHP-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCCO1 ZINC001573772408 948958570 /nfs/dbraw/zinc/95/85/70/948958570.db2.gz BIUBBFNTXLBSHP-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)c1ncncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001574433597 948959986 /nfs/dbraw/zinc/95/99/86/948959986.db2.gz YIUCUOOYZUPKEJ-RYUDHWBXSA-N -1 1 392.427 0.673 20 0 GCADMM CC(C)c1ncncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001574433597 948959994 /nfs/dbraw/zinc/95/99/94/948959994.db2.gz YIUCUOOYZUPKEJ-RYUDHWBXSA-N -1 1 392.427 0.673 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574433480 948960625 /nfs/dbraw/zinc/96/06/25/948960625.db2.gz OTTGGULSQKZZKC-NSHDSACASA-N -1 1 384.448 0.768 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574433480 948960629 /nfs/dbraw/zinc/96/06/29/948960629.db2.gz OTTGGULSQKZZKC-NSHDSACASA-N -1 1 384.448 0.768 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575239440 948962416 /nfs/dbraw/zinc/96/24/16/948962416.db2.gz SHISXKNLRNWDAZ-RTCCRHLQSA-N -1 1 378.387 0.891 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574089622 948964164 /nfs/dbraw/zinc/96/41/64/948964164.db2.gz INWQKKUVRMRUJI-CHWSQXEVSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574089622 948964173 /nfs/dbraw/zinc/96/41/73/948964173.db2.gz INWQKKUVRMRUJI-CHWSQXEVSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574433865 948967094 /nfs/dbraw/zinc/96/70/94/948967094.db2.gz UGYLIMNECXMNAB-UHFFFAOYSA-N -1 1 384.448 0.722 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574433865 948967098 /nfs/dbraw/zinc/96/70/98/948967098.db2.gz UGYLIMNECXMNAB-UHFFFAOYSA-N -1 1 384.448 0.722 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574924329 948970924 /nfs/dbraw/zinc/97/09/24/948970924.db2.gz ZRVDXRAJUBOWHV-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574924329 948970933 /nfs/dbraw/zinc/97/09/33/948970933.db2.gz ZRVDXRAJUBOWHV-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575240126 948971378 /nfs/dbraw/zinc/97/13/78/948971378.db2.gz ZSCRZAAXAVUWDH-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575240126 948971396 /nfs/dbraw/zinc/97/13/96/948971396.db2.gz ZSCRZAAXAVUWDH-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575240110 948972063 /nfs/dbraw/zinc/97/20/63/948972063.db2.gz ZHZNNCGCNVDYJW-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575240110 948972069 /nfs/dbraw/zinc/97/20/69/948972069.db2.gz ZHZNNCGCNVDYJW-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573773142 948976045 /nfs/dbraw/zinc/97/60/45/948976045.db2.gz HYPAGSZOJBLQAD-ZDUSSCGKSA-N -1 1 379.428 0.724 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573773142 948976062 /nfs/dbraw/zinc/97/60/62/948976062.db2.gz HYPAGSZOJBLQAD-ZDUSSCGKSA-N -1 1 379.428 0.724 20 0 GCADMM CC(F)(F)c1ccc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001575241638 948979416 /nfs/dbraw/zinc/97/94/16/948979416.db2.gz DVTIIYLRFYQDCS-UHFFFAOYSA-N -1 1 391.338 0.557 20 0 GCADMM CC(C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574434369 948979970 /nfs/dbraw/zinc/97/99/70/948979970.db2.gz IMAPDHLUHLNWIP-LLVKDONJSA-N -1 1 385.432 0.890 20 0 GCADMM CC(C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574434369 948979983 /nfs/dbraw/zinc/97/99/83/948979983.db2.gz IMAPDHLUHLNWIP-LLVKDONJSA-N -1 1 385.432 0.890 20 0 GCADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1c[nH]cn1 ZINC001573773372 948983855 /nfs/dbraw/zinc/98/38/55/948983855.db2.gz AIVLZOKTLUCVMJ-UHFFFAOYSA-N -1 1 382.432 0.808 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926166 948988727 /nfs/dbraw/zinc/98/87/27/948988727.db2.gz JSFABMVQKIDSNU-CYBMUJFWSA-N -1 1 381.444 0.734 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926166 948988743 /nfs/dbraw/zinc/98/87/43/948988743.db2.gz JSFABMVQKIDSNU-CYBMUJFWSA-N -1 1 381.444 0.734 20 0 GCADMM CC(F)(F)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001575242821 948992080 /nfs/dbraw/zinc/99/20/80/948992080.db2.gz LGBRWBLGBXONAS-UHFFFAOYSA-N -1 1 378.430 0.890 20 0 GCADMM CC(F)(F)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001575242821 948992090 /nfs/dbraw/zinc/99/20/90/948992090.db2.gz LGBRWBLGBXONAS-UHFFFAOYSA-N -1 1 378.430 0.890 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574926300 948995448 /nfs/dbraw/zinc/99/54/48/948995448.db2.gz MZYQRLONXQOMHO-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574926300 948995458 /nfs/dbraw/zinc/99/54/58/948995458.db2.gz MZYQRLONXQOMHO-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM CC(F)(F)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001575243703 948997729 /nfs/dbraw/zinc/99/77/29/948997729.db2.gz QEODRBFWOUOFRM-UHFFFAOYSA-N -1 1 390.391 0.967 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C(F)F ZINC001573774104 948999570 /nfs/dbraw/zinc/99/95/70/948999570.db2.gz QLKXGPYPVAFTHF-PSASIEDQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C(F)F ZINC001573774104 948999579 /nfs/dbraw/zinc/99/95/79/948999579.db2.gz QLKXGPYPVAFTHF-PSASIEDQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)C1CCC(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001574090996 949001952 /nfs/dbraw/zinc/00/19/52/949001952.db2.gz LVNFOOWDYSXPER-UHFFFAOYSA-N -1 1 375.433 0.850 20 0 GCADMM CC(C)C1CCC(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001574091010 949003446 /nfs/dbraw/zinc/00/34/46/949003446.db2.gz LZXKMJVKGXGATM-UHFFFAOYSA-N -1 1 375.433 0.708 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575501375 949007032 /nfs/dbraw/zinc/00/70/32/949007032.db2.gz HIJWLWCCKCFPJM-NWDGAFQWSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575501373 949007211 /nfs/dbraw/zinc/00/72/11/949007211.db2.gz HIJWLWCCKCFPJM-NEPJUHHUSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574691056 949009531 /nfs/dbraw/zinc/00/95/31/949009531.db2.gz SRAAHDMHVCEHHR-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574691056 949009546 /nfs/dbraw/zinc/00/95/46/949009546.db2.gz SRAAHDMHVCEHHR-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575501389 949014159 /nfs/dbraw/zinc/01/41/59/949014159.db2.gz HLZHGQQWLVQOSG-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575501389 949014175 /nfs/dbraw/zinc/01/41/75/949014175.db2.gz HLZHGQQWLVQOSG-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001573774578 949015263 /nfs/dbraw/zinc/01/52/63/949015263.db2.gz OGGZQIYSPDANJN-NEPJUHHUSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001573774578 949015282 /nfs/dbraw/zinc/01/52/82/949015282.db2.gz OGGZQIYSPDANJN-NEPJUHHUSA-N -1 1 390.448 0.141 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574691381 949021096 /nfs/dbraw/zinc/02/10/96/949021096.db2.gz WWWVURZJABNFBW-SMDDNHRTSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574691381 949021115 /nfs/dbraw/zinc/02/11/15/949021115.db2.gz WWWVURZJABNFBW-SMDDNHRTSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575502269 949022781 /nfs/dbraw/zinc/02/27/81/949022781.db2.gz JUPSVSPLCAOZIS-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575502269 949022804 /nfs/dbraw/zinc/02/28/04/949022804.db2.gz JUPSVSPLCAOZIS-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001575245414 949024834 /nfs/dbraw/zinc/02/48/34/949024834.db2.gz BKGFDWFVFXYXNM-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001575245414 949024854 /nfs/dbraw/zinc/02/48/54/949024854.db2.gz BKGFDWFVFXYXNM-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575245456 949025766 /nfs/dbraw/zinc/02/57/66/949025766.db2.gz CBODSIYGKVKMBX-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575245456 949025746 /nfs/dbraw/zinc/02/57/46/949025746.db2.gz CBODSIYGKVKMBX-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574440476 949026374 /nfs/dbraw/zinc/02/63/74/949026374.db2.gz PSADLVXEJSLQKP-SECBINFHSA-N -1 1 388.461 0.886 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574440476 949026393 /nfs/dbraw/zinc/02/63/93/949026393.db2.gz PSADLVXEJSLQKP-SECBINFHSA-N -1 1 388.461 0.886 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575502831 949030545 /nfs/dbraw/zinc/03/05/45/949030545.db2.gz KTWRBKGZHCVPOX-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575502831 949030566 /nfs/dbraw/zinc/03/05/66/949030566.db2.gz KTWRBKGZHCVPOX-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575502915 949031263 /nfs/dbraw/zinc/03/12/63/949031263.db2.gz LQMVFRQXPXWTFK-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575502915 949031285 /nfs/dbraw/zinc/03/12/85/949031285.db2.gz LQMVFRQXPXWTFK-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001574691900 949031855 /nfs/dbraw/zinc/03/18/55/949031855.db2.gz ZIKLUCUONCERTH-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001574691900 949031879 /nfs/dbraw/zinc/03/18/79/949031879.db2.gz ZIKLUCUONCERTH-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574691908 949033255 /nfs/dbraw/zinc/03/32/55/949033255.db2.gz ZIKLUCUONCERTH-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574691908 949033276 /nfs/dbraw/zinc/03/32/76/949033276.db2.gz ZIKLUCUONCERTH-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574440580 949035532 /nfs/dbraw/zinc/03/55/32/949035532.db2.gz SZWFBBPATKSSRH-SECBINFHSA-N -1 1 388.461 0.886 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246523 949035494 /nfs/dbraw/zinc/03/54/94/949035494.db2.gz GVVPZLVUFZACNY-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246523 949035513 /nfs/dbraw/zinc/03/55/13/949035513.db2.gz GVVPZLVUFZACNY-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574440580 949035548 /nfs/dbraw/zinc/03/55/48/949035548.db2.gz SZWFBBPATKSSRH-SECBINFHSA-N -1 1 388.461 0.886 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574440852 949039036 /nfs/dbraw/zinc/03/90/36/949039036.db2.gz WOOOBHFYPNXEAM-RKDXNWHRSA-N -1 1 388.461 0.672 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575247000 949040262 /nfs/dbraw/zinc/04/02/62/949040262.db2.gz HRRYELSQWPRMCJ-QWRGUYRKSA-N -1 1 389.464 0.148 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574440918 949043153 /nfs/dbraw/zinc/04/31/53/949043153.db2.gz YQYRHVGERLCYIK-JTQLQIEISA-N -1 1 386.420 0.134 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574927881 949047692 /nfs/dbraw/zinc/04/76/92/949047692.db2.gz MFPZAKHTJCZNGV-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574927881 949047709 /nfs/dbraw/zinc/04/77/09/949047709.db2.gz MFPZAKHTJCZNGV-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc(Cl)n1C ZINC001574693194 949048850 /nfs/dbraw/zinc/04/88/50/949048850.db2.gz BYMRLTRKYBVXPY-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc(Cl)n1C ZINC001574693194 949048869 /nfs/dbraw/zinc/04/88/69/949048869.db2.gz BYMRLTRKYBVXPY-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574927932 949048988 /nfs/dbraw/zinc/04/89/88/949048988.db2.gz MNSKVYBMDHGXDE-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc(Cl)n1C ZINC001574693195 949049475 /nfs/dbraw/zinc/04/94/75/949049475.db2.gz BYMRLTRKYBVXPY-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc(Cl)n1C ZINC001574693195 949049496 /nfs/dbraw/zinc/04/94/96/949049496.db2.gz BYMRLTRKYBVXPY-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574441169 949052746 /nfs/dbraw/zinc/05/27/46/949052746.db2.gz GRRQQXVIXGFPQP-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574441169 949052769 /nfs/dbraw/zinc/05/27/69/949052769.db2.gz GRRQQXVIXGFPQP-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575503912 949053079 /nfs/dbraw/zinc/05/30/79/949053079.db2.gz QJSAUYXKNLAEKR-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575503912 949053098 /nfs/dbraw/zinc/05/30/98/949053098.db2.gz QJSAUYXKNLAEKR-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574092319 949059332 /nfs/dbraw/zinc/05/93/32/949059332.db2.gz NUBPZQJPHOCWFG-UONOGXRCSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574928321 949060662 /nfs/dbraw/zinc/06/06/62/949060662.db2.gz OTRPYUJTDZITRB-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574928321 949060642 /nfs/dbraw/zinc/06/06/42/949060642.db2.gz OTRPYUJTDZITRB-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CN1CCOCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574928855 949064617 /nfs/dbraw/zinc/06/46/17/949064617.db2.gz RPXAZEUSUUFUQW-MRVPVSSYSA-N -1 1 386.869 0.225 20 0 GCADMM C[C@H](CNC(=O)CN1CCOCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574928855 949064638 /nfs/dbraw/zinc/06/46/38/949064638.db2.gz RPXAZEUSUUFUQW-MRVPVSSYSA-N -1 1 386.869 0.225 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574694259 949069113 /nfs/dbraw/zinc/06/91/13/949069113.db2.gz MGSPCGPFDOVDMT-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574694259 949069136 /nfs/dbraw/zinc/06/91/36/949069136.db2.gz MGSPCGPFDOVDMT-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574928978 949069391 /nfs/dbraw/zinc/06/93/91/949069391.db2.gz UWTUAFYPYURXJL-LBPRGKRZSA-N -1 1 379.428 0.636 20 0 GCADMM C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574928978 949069412 /nfs/dbraw/zinc/06/94/12/949069412.db2.gz UWTUAFYPYURXJL-LBPRGKRZSA-N -1 1 379.428 0.636 20 0 GCADMM CC(C)c1occc1C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574441811 949075872 /nfs/dbraw/zinc/07/58/72/949075872.db2.gz XYLXRZHUJGSVIJ-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM CC(C)c1occc1C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574441811 949075892 /nfs/dbraw/zinc/07/58/92/949075892.db2.gz XYLXRZHUJGSVIJ-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574694593 949082724 /nfs/dbraw/zinc/08/27/24/949082724.db2.gz SEZZSMZWHRMPHG-XVMARJQXSA-N -1 1 384.853 0.405 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574694593 949082742 /nfs/dbraw/zinc/08/27/42/949082742.db2.gz SEZZSMZWHRMPHG-XVMARJQXSA-N -1 1 384.853 0.405 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575504761 949084706 /nfs/dbraw/zinc/08/47/06/949084706.db2.gz XLAMCXXZNVSLEL-MBNYWOFBSA-N -1 1 395.427 0.460 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575504761 949084730 /nfs/dbraw/zinc/08/47/30/949084730.db2.gz XLAMCXXZNVSLEL-MBNYWOFBSA-N -1 1 395.427 0.460 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574441954 949085295 /nfs/dbraw/zinc/08/52/95/949085295.db2.gz GTGJTYWTRSHFAN-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574441954 949085319 /nfs/dbraw/zinc/08/53/19/949085319.db2.gz GTGJTYWTRSHFAN-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1c[nH]cn1 ZINC001573780318 949088195 /nfs/dbraw/zinc/08/81/95/949088195.db2.gz WDCPSYYJAJWHNX-LLVKDONJSA-N -1 1 382.432 0.443 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574442143 949089146 /nfs/dbraw/zinc/08/91/46/949089146.db2.gz KSHSZAUGBXDZGI-LBPRGKRZSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574929465 949093392 /nfs/dbraw/zinc/09/33/92/949093392.db2.gz DTWILDZOVVJHOZ-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574929465 949093407 /nfs/dbraw/zinc/09/34/07/949093407.db2.gz DTWILDZOVVJHOZ-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnnn1C ZINC001574694801 949094639 /nfs/dbraw/zinc/09/46/39/949094639.db2.gz WODAXTJRDSODBC-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnnn1C ZINC001574694801 949094657 /nfs/dbraw/zinc/09/46/57/949094657.db2.gz WODAXTJRDSODBC-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574442361 949094818 /nfs/dbraw/zinc/09/48/18/949094818.db2.gz MVAZIKZXETXKTM-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574442361 949094837 /nfs/dbraw/zinc/09/48/37/949094837.db2.gz MVAZIKZXETXKTM-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575504897 949094690 /nfs/dbraw/zinc/09/46/90/949094690.db2.gz YKYRLCPNXOOAFU-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575504897 949094708 /nfs/dbraw/zinc/09/47/08/949094708.db2.gz YKYRLCPNXOOAFU-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575504917 949095379 /nfs/dbraw/zinc/09/53/79/949095379.db2.gz YYZKPCXETMZSPR-LLVKDONJSA-N -1 1 381.400 0.580 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575504917 949095401 /nfs/dbraw/zinc/09/54/01/949095401.db2.gz YYZKPCXETMZSPR-LLVKDONJSA-N -1 1 381.400 0.580 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575249650 949102916 /nfs/dbraw/zinc/10/29/16/949102916.db2.gz ZSZNVXWQZQALTR-QWRGUYRKSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575249650 949102925 /nfs/dbraw/zinc/10/29/25/949102925.db2.gz ZSZNVXWQZQALTR-QWRGUYRKSA-N -1 1 389.464 0.148 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(F)F ZINC001573781585 949107512 /nfs/dbraw/zinc/10/75/12/949107512.db2.gz JGBSJXQXELZPFN-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(F)F ZINC001573781585 949107524 /nfs/dbraw/zinc/10/75/24/949107524.db2.gz JGBSJXQXELZPFN-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574695233 949107797 /nfs/dbraw/zinc/10/77/97/949107797.db2.gz FSXYLOWWSLTIFY-QJPTWQEYSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574695233 949107807 /nfs/dbraw/zinc/10/78/07/949107807.db2.gz FSXYLOWWSLTIFY-QJPTWQEYSA-N -1 1 382.432 0.501 20 0 GCADMM CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574443433 949108154 /nfs/dbraw/zinc/10/81/54/949108154.db2.gz YEZQHLBJRHTLPO-NSHDSACASA-N -1 1 383.416 0.907 20 0 GCADMM CC(C)(C(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573781709 949111133 /nfs/dbraw/zinc/11/11/33/949111133.db2.gz MHXONPGCZDNZSF-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC(C)(C(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573781709 949111145 /nfs/dbraw/zinc/11/11/45/949111145.db2.gz MHXONPGCZDNZSF-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574931062 949114050 /nfs/dbraw/zinc/11/40/50/949114050.db2.gz NDCFPAODVWEERL-JGVFFNPUSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574931062 949114041 /nfs/dbraw/zinc/11/40/41/949114041.db2.gz NDCFPAODVWEERL-JGVFFNPUSA-N -1 1 387.853 0.699 20 0 GCADMM CC(C)c1ocnc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574445813 949115348 /nfs/dbraw/zinc/11/53/48/949115348.db2.gz DRIDUIKAPPHMSC-LLVKDONJSA-N -1 1 383.416 0.764 20 0 GCADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574445814 949117441 /nfs/dbraw/zinc/11/74/41/949117441.db2.gz DRIDUIKAPPHMSC-NSHDSACASA-N -1 1 383.416 0.764 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCC1 ZINC001573782465 949123704 /nfs/dbraw/zinc/12/37/04/949123704.db2.gz UTTUJBIMEYJWQK-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCC1 ZINC001573782465 949123713 /nfs/dbraw/zinc/12/37/13/949123713.db2.gz UTTUJBIMEYJWQK-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCC1 ZINC001573782467 949124383 /nfs/dbraw/zinc/12/43/83/949124383.db2.gz UTTUJBIMEYJWQK-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCC1 ZINC001573782467 949124398 /nfs/dbraw/zinc/12/43/98/949124398.db2.gz UTTUJBIMEYJWQK-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)CO[C@H]1CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574932177 949130117 /nfs/dbraw/zinc/13/01/17/949130117.db2.gz VMCLJCSEIYWAGA-YUMQZZPRSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574932112 949130652 /nfs/dbraw/zinc/13/06/52/949130652.db2.gz VEYKPHMTDNDNQM-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574932112 949130640 /nfs/dbraw/zinc/13/06/40/949130640.db2.gz VEYKPHMTDNDNQM-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575251405 949137046 /nfs/dbraw/zinc/13/70/46/949137046.db2.gz MVMJDYAOTDWKTQ-NEPJUHHUSA-N -1 1 381.444 0.757 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574696662 949138109 /nfs/dbraw/zinc/13/81/09/949138109.db2.gz UBRBAXHGRHFDAJ-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574696662 949138121 /nfs/dbraw/zinc/13/81/21/949138121.db2.gz UBRBAXHGRHFDAJ-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574094636 949140030 /nfs/dbraw/zinc/14/00/30/949140030.db2.gz ZFSQYLSHBIHLED-QWHCGFSZSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574094636 949140036 /nfs/dbraw/zinc/14/00/36/949140036.db2.gz ZFSQYLSHBIHLED-QWHCGFSZSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)c1ocnc1C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001574446875 949142511 /nfs/dbraw/zinc/14/25/11/949142511.db2.gz YYPZYTLVEOGGAS-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1ocnc1C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001574446875 949142522 /nfs/dbraw/zinc/14/25/22/949142522.db2.gz YYPZYTLVEOGGAS-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574932403 949143159 /nfs/dbraw/zinc/14/31/59/949143159.db2.gz ZLGPMGQEVSUPRV-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574932403 949143170 /nfs/dbraw/zinc/14/31/70/949143170.db2.gz ZLGPMGQEVSUPRV-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001574095432 949148148 /nfs/dbraw/zinc/14/81/48/949148148.db2.gz YEWOSYCORRGNKA-UKRRQHHQSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001574095432 949148154 /nfs/dbraw/zinc/14/81/54/949148154.db2.gz YEWOSYCORRGNKA-UKRRQHHQSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574697091 949149265 /nfs/dbraw/zinc/14/92/65/949149265.db2.gz YURBOAMVJVQMNF-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574697091 949149279 /nfs/dbraw/zinc/14/92/79/949149279.db2.gz YURBOAMVJVQMNF-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(N)=O)cs1 ZINC001574697094 949151041 /nfs/dbraw/zinc/15/10/41/949151041.db2.gz YVIJEPNHYZIVMF-MRVPVSSYSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(N)=O)cs1 ZINC001574697094 949151048 /nfs/dbraw/zinc/15/10/48/949151048.db2.gz YVIJEPNHYZIVMF-MRVPVSSYSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574697188 949151841 /nfs/dbraw/zinc/15/18/41/949151841.db2.gz ZTOHOVBGOWCUEB-KGYLQXTDSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574697188 949151853 /nfs/dbraw/zinc/15/18/53/949151853.db2.gz ZTOHOVBGOWCUEB-KGYLQXTDSA-N -1 1 382.432 0.501 20 0 GCADMM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574447140 949153365 /nfs/dbraw/zinc/15/33/65/949153365.db2.gz HSDNYYQNEDJSFN-XYPYZODXSA-N -1 1 383.416 0.811 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001574447319 949156884 /nfs/dbraw/zinc/15/68/84/949156884.db2.gz KWOKBVBCCKCSMI-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001574447319 949156897 /nfs/dbraw/zinc/15/68/97/949156897.db2.gz KWOKBVBCCKCSMI-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574447320 949157097 /nfs/dbraw/zinc/15/70/97/949157097.db2.gz KZZXQLINYVSABO-LLVKDONJSA-N -1 1 383.416 0.907 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934762 949175759 /nfs/dbraw/zinc/17/57/59/949175759.db2.gz QBVABOKVFNXTCO-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934762 949175772 /nfs/dbraw/zinc/17/57/72/949175772.db2.gz QBVABOKVFNXTCO-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM CC(C)[C@H]1OCCC[C@H]1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574099508 949177765 /nfs/dbraw/zinc/17/77/65/949177765.db2.gz LNQONQLMYGSLQP-SMDDNHRTSA-N -1 1 391.432 0.087 20 0 GCADMM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574099506 949179248 /nfs/dbraw/zinc/17/92/48/949179248.db2.gz LNQONQLMYGSLQP-FZMZJTMJSA-N -1 1 391.432 0.087 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698249 949182199 /nfs/dbraw/zinc/18/21/99/949182199.db2.gz HQQNRBYSPLTBNC-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698249 949182216 /nfs/dbraw/zinc/18/22/16/949182216.db2.gz HQQNRBYSPLTBNC-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253411 949186658 /nfs/dbraw/zinc/18/66/58/949186658.db2.gz TVPVMCNYKDONPB-NWDGAFQWSA-N -1 1 388.476 0.837 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253412 949186876 /nfs/dbraw/zinc/18/68/76/949186876.db2.gz TVPVMCNYKDONPB-RYUDHWBXSA-N -1 1 388.476 0.837 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574448447 949187941 /nfs/dbraw/zinc/18/79/41/949187941.db2.gz LWHPINIKIKJWSN-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574448447 949187949 /nfs/dbraw/zinc/18/79/49/949187949.db2.gz LWHPINIKIKJWSN-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574448407 949188654 /nfs/dbraw/zinc/18/86/54/949188654.db2.gz LDHAKJXCDXQTRN-UHFFFAOYSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698521 949195027 /nfs/dbraw/zinc/19/50/27/949195027.db2.gz MGXUOERGZFHGCB-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698521 949195044 /nfs/dbraw/zinc/19/50/44/949195044.db2.gz MGXUOERGZFHGCB-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698523 949196199 /nfs/dbraw/zinc/19/61/99/949196199.db2.gz MGXUOERGZFHGCB-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698523 949196210 /nfs/dbraw/zinc/19/62/10/949196210.db2.gz MGXUOERGZFHGCB-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935102 949196730 /nfs/dbraw/zinc/19/67/30/949196730.db2.gz ZEQKLPJFKQHZPY-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698652 949201846 /nfs/dbraw/zinc/20/18/46/949201846.db2.gz NLWMWJZGNDFCFA-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698652 949201861 /nfs/dbraw/zinc/20/18/61/949201861.db2.gz NLWMWJZGNDFCFA-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698653 949201986 /nfs/dbraw/zinc/20/19/86/949201986.db2.gz NLWMWJZGNDFCFA-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698653 949202002 /nfs/dbraw/zinc/20/20/02/949202002.db2.gz NLWMWJZGNDFCFA-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698651 949204441 /nfs/dbraw/zinc/20/44/41/949204441.db2.gz NLWMWJZGNDFCFA-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698651 949204459 /nfs/dbraw/zinc/20/44/59/949204459.db2.gz NLWMWJZGNDFCFA-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001574102798 949209250 /nfs/dbraw/zinc/20/92/50/949209250.db2.gz BNNZWSKRTDIZEQ-SCLBCKFNSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001574102798 949209270 /nfs/dbraw/zinc/20/92/70/949209270.db2.gz BNNZWSKRTDIZEQ-SCLBCKFNSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698877 949211203 /nfs/dbraw/zinc/21/12/03/949211203.db2.gz PSGGKGWMJAOYOW-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698877 949211224 /nfs/dbraw/zinc/21/12/24/949211224.db2.gz PSGGKGWMJAOYOW-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698885 949211478 /nfs/dbraw/zinc/21/14/78/949211478.db2.gz PVJYQFHGDIAEFR-NEPJUHHUSA-N -1 1 383.416 0.200 20 0 GCADMM C[C@@H]1CCC[C@@H](CNC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001576151272 949215200 /nfs/dbraw/zinc/21/52/00/949215200.db2.gz FQLJUOUQQVJWMU-GHMZBOCLSA-N -1 1 388.432 0.522 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575254767 949215568 /nfs/dbraw/zinc/21/55/68/949215568.db2.gz XQCAKFFSNLHHCI-GMTAPVOTSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575254767 949215589 /nfs/dbraw/zinc/21/55/89/949215589.db2.gz XQCAKFFSNLHHCI-GMTAPVOTSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H]1CCC[C@H](C)C1NC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576151313 949218447 /nfs/dbraw/zinc/21/84/47/949218447.db2.gz GFEBLSADZQFQIN-UWVGGRQHSA-N -1 1 388.432 0.520 20 0 GCADMM CC(C)(C)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001573791797 949230369 /nfs/dbraw/zinc/23/03/69/949230369.db2.gz GFHMUMIZMVESQC-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001573791797 949230383 /nfs/dbraw/zinc/23/03/83/949230383.db2.gz GFHMUMIZMVESQC-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575255348 949231558 /nfs/dbraw/zinc/23/15/58/949231558.db2.gz ZGLYCJCFALXBPI-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575255348 949231584 /nfs/dbraw/zinc/23/15/84/949231584.db2.gz ZGLYCJCFALXBPI-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574937708 949231744 /nfs/dbraw/zinc/23/17/44/949231744.db2.gz PYFVRLJCQWAYMO-SNVBAGLBSA-N -1 1 383.416 0.929 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574937708 949231767 /nfs/dbraw/zinc/23/17/67/949231767.db2.gz PYFVRLJCQWAYMO-SNVBAGLBSA-N -1 1 383.416 0.929 20 0 GCADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001575854444 949235478 /nfs/dbraw/zinc/23/54/78/949235478.db2.gz XBJHGHPLLPONMY-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001575854444 949235499 /nfs/dbraw/zinc/23/54/99/949235499.db2.gz XBJHGHPLLPONMY-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576151920 949238973 /nfs/dbraw/zinc/23/89/73/949238973.db2.gz GRJCJCUGRHZMKB-YIYPIFLZSA-N -1 1 386.460 0.733 20 0 GCADMM CC(C)(C)C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001573792351 949243444 /nfs/dbraw/zinc/24/34/44/949243444.db2.gz OMRLKFVODLPKGJ-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001573792351 949243460 /nfs/dbraw/zinc/24/34/60/949243460.db2.gz OMRLKFVODLPKGJ-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001575855979 949246100 /nfs/dbraw/zinc/24/61/00/949246100.db2.gz CFULVLMPMVEDQO-MRXNPFEDSA-N -1 1 376.396 0.578 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001575855979 949246121 /nfs/dbraw/zinc/24/61/21/949246121.db2.gz CFULVLMPMVEDQO-MRXNPFEDSA-N -1 1 376.396 0.578 20 0 GCADMM CC(C)n1cc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574451955 949250784 /nfs/dbraw/zinc/25/07/84/949250784.db2.gz BUDQOOQVTFGNCF-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)cn1 ZINC001574452496 949261555 /nfs/dbraw/zinc/26/15/55/949261555.db2.gz LFLQHELAIAFFMQ-CYBMUJFWSA-N -1 1 382.432 0.477 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574940430 949265005 /nfs/dbraw/zinc/26/50/05/949265005.db2.gz FTVDXKFKHALJPB-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574940430 949265033 /nfs/dbraw/zinc/26/50/33/949265033.db2.gz FTVDXKFKHALJPB-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CN2CCCC2=O)CC1 ZINC001575857631 949273263 /nfs/dbraw/zinc/27/32/63/949273263.db2.gz SWWVVHNOUVKSSV-UHFFFAOYSA-N -1 1 385.432 0.072 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CN2CCCC2=O)CC1 ZINC001575857631 949273283 /nfs/dbraw/zinc/27/32/83/949273283.db2.gz SWWVVHNOUVKSSV-UHFFFAOYSA-N -1 1 385.432 0.072 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452900 949274364 /nfs/dbraw/zinc/27/43/64/949274364.db2.gz QQIVSOGSPZYNDG-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452900 949274377 /nfs/dbraw/zinc/27/43/77/949274377.db2.gz QQIVSOGSPZYNDG-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001574452975 949276460 /nfs/dbraw/zinc/27/64/60/949276460.db2.gz UDTSNASTPIVPFB-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001574452975 949276481 /nfs/dbraw/zinc/27/64/81/949276481.db2.gz UDTSNASTPIVPFB-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cc(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)cn1 ZINC001574453014 949279145 /nfs/dbraw/zinc/27/91/45/949279145.db2.gz VSHZOWKKGBIBOH-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)cn1 ZINC001574453014 949279166 /nfs/dbraw/zinc/27/91/66/949279166.db2.gz VSHZOWKKGBIBOH-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574940915 949283018 /nfs/dbraw/zinc/28/30/18/949283018.db2.gz MHKNTKUOHYJKPO-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574940915 949283041 /nfs/dbraw/zinc/28/30/41/949283041.db2.gz MHKNTKUOHYJKPO-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574453172 949283582 /nfs/dbraw/zinc/28/35/82/949283582.db2.gz YBAFEXAHSHVPBQ-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574453172 949283602 /nfs/dbraw/zinc/28/36/02/949283602.db2.gz YBAFEXAHSHVPBQ-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457219 949315929 /nfs/dbraw/zinc/31/59/29/949315929.db2.gz BVHGSDFNOGBJKE-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457219 949315955 /nfs/dbraw/zinc/31/59/55/949315955.db2.gz BVHGSDFNOGBJKE-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457336 949322004 /nfs/dbraw/zinc/32/20/04/949322004.db2.gz HHESDPHBYIMBMH-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457336 949322023 /nfs/dbraw/zinc/32/20/23/949322023.db2.gz HHESDPHBYIMBMH-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnon1 ZINC001576154196 949325444 /nfs/dbraw/zinc/32/54/44/949325444.db2.gz CJCAXRVBTYKFDO-QFYYESIMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnon1 ZINC001576154196 949325467 /nfs/dbraw/zinc/32/54/67/949325467.db2.gz CJCAXRVBTYKFDO-QFYYESIMSA-N -1 1 384.404 0.831 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457352 949325774 /nfs/dbraw/zinc/32/57/74/949325774.db2.gz ILCGRMXDQRTYGL-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457352 949325792 /nfs/dbraw/zinc/32/57/92/949325792.db2.gz ILCGRMXDQRTYGL-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574942198 949337185 /nfs/dbraw/zinc/33/71/85/949337185.db2.gz KPVUWIZIUAZOBS-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574942198 949337210 /nfs/dbraw/zinc/33/72/10/949337210.db2.gz KPVUWIZIUAZOBS-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458820 949346079 /nfs/dbraw/zinc/34/60/79/949346079.db2.gz ZBFUSHYTPVUXDU-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458820 949346101 /nfs/dbraw/zinc/34/61/01/949346101.db2.gz ZBFUSHYTPVUXDU-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574459317 949354218 /nfs/dbraw/zinc/35/42/18/949354218.db2.gz AKILEXJXHDSBAW-CYBMUJFWSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574459317 949354229 /nfs/dbraw/zinc/35/42/29/949354229.db2.gz AKILEXJXHDSBAW-CYBMUJFWSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573798830 949357771 /nfs/dbraw/zinc/35/77/71/949357771.db2.gz HVGWCNJRAIZWJF-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573798830 949357790 /nfs/dbraw/zinc/35/77/90/949357790.db2.gz HVGWCNJRAIZWJF-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC1(C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)CCCCCC1 ZINC001575525907 949359858 /nfs/dbraw/zinc/35/98/58/949359858.db2.gz SRKXTCGONBDXDY-UHFFFAOYSA-N -1 1 388.476 0.672 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001574459517 949363065 /nfs/dbraw/zinc/36/30/65/949363065.db2.gz ISYOFSNUXLBDAK-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574459476 949363169 /nfs/dbraw/zinc/36/31/69/949363169.db2.gz IEVAQPMYRFEXNN-CYBMUJFWSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574459476 949363191 /nfs/dbraw/zinc/36/31/91/949363191.db2.gz IEVAQPMYRFEXNN-CYBMUJFWSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574459813 949364068 /nfs/dbraw/zinc/36/40/68/949364068.db2.gz LFZAOOLHRIMEFV-BETUJISGSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574459813 949364088 /nfs/dbraw/zinc/36/40/88/949364088.db2.gz LFZAOOLHRIMEFV-BETUJISGSA-N -1 1 382.432 0.736 20 0 GCADMM C[C@@H]1[C@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H]1c1ccccc1 ZINC001575865546 949372349 /nfs/dbraw/zinc/37/23/49/949372349.db2.gz LSVWRPGPCFLSJP-GDLCADMTSA-N -1 1 381.396 0.295 20 0 GCADMM C[C@@H]1[C@@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H]1c1ccccc1 ZINC001575865555 949373634 /nfs/dbraw/zinc/37/36/34/949373634.db2.gz LSVWRPGPCFLSJP-ZLKJLUDKSA-N -1 1 381.396 0.295 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574460350 949373850 /nfs/dbraw/zinc/37/38/50/949373850.db2.gz TXWHJGOUFNBJRZ-BETUJISGSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574460350 949373866 /nfs/dbraw/zinc/37/38/66/949373866.db2.gz TXWHJGOUFNBJRZ-BETUJISGSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573799637 949375414 /nfs/dbraw/zinc/37/54/14/949375414.db2.gz OKRPDURCRUHSBJ-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573799637 949375435 /nfs/dbraw/zinc/37/54/35/949375435.db2.gz OKRPDURCRUHSBJ-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574460652 949379670 /nfs/dbraw/zinc/37/96/70/949379670.db2.gz VVVIOPQYEQXYOZ-LBPRGKRZSA-N -1 1 385.432 0.006 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575263069 949382885 /nfs/dbraw/zinc/38/28/85/949382885.db2.gz DGZYXRPLLJEALE-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575263069 949382898 /nfs/dbraw/zinc/38/28/98/949382898.db2.gz DGZYXRPLLJEALE-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573799971 949385704 /nfs/dbraw/zinc/38/57/04/949385704.db2.gz SCANPIZJWRUVJL-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573799971 949385721 /nfs/dbraw/zinc/38/57/21/949385721.db2.gz SCANPIZJWRUVJL-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574463910 949394878 /nfs/dbraw/zinc/39/48/78/949394878.db2.gz AXLJWACEXQRKJK-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCOC1 ZINC001575533161 949410555 /nfs/dbraw/zinc/41/05/55/949410555.db2.gz DRCYDXGMQZLFOY-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573802189 949411229 /nfs/dbraw/zinc/41/12/29/949411229.db2.gz GMRWVCOROUVXEP-WOPDTQHZSA-N -1 1 399.459 0.045 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574464380 949411790 /nfs/dbraw/zinc/41/17/90/949411790.db2.gz MOGYYETUYSCBHI-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574464380 949411804 /nfs/dbraw/zinc/41/18/04/949411804.db2.gz MOGYYETUYSCBHI-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnon1 ZINC001576155640 949413578 /nfs/dbraw/zinc/41/35/78/949413578.db2.gz JNVSZCJQRYUAGR-HWPZZCPQSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnon1 ZINC001576155640 949413585 /nfs/dbraw/zinc/41/35/85/949413585.db2.gz JNVSZCJQRYUAGR-HWPZZCPQSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn(C)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574945733 949417004 /nfs/dbraw/zinc/41/70/04/949417004.db2.gz NBLHCZAMWQJCLV-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Cc1cccs1 ZINC001574945813 949418981 /nfs/dbraw/zinc/41/89/81/949418981.db2.gz OYCCKEWFYVNZHW-SECBINFHSA-N -1 1 375.414 0.186 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001573802549 949420179 /nfs/dbraw/zinc/42/01/79/949420179.db2.gz HXXFPJSGIMWWDZ-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001573802549 949420192 /nfs/dbraw/zinc/42/01/92/949420192.db2.gz HXXFPJSGIMWWDZ-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575264343 949423224 /nfs/dbraw/zinc/42/32/24/949423224.db2.gz NSWZEBLOUBUTLJ-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575264343 949423235 /nfs/dbraw/zinc/42/32/35/949423235.db2.gz NSWZEBLOUBUTLJ-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575264421 949425651 /nfs/dbraw/zinc/42/56/51/949425651.db2.gz OANCBPVYVHXTOH-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575264421 949425658 /nfs/dbraw/zinc/42/56/58/949425658.db2.gz OANCBPVYVHXTOH-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575264424 949425781 /nfs/dbraw/zinc/42/57/81/949425781.db2.gz OANCBPVYVHXTOH-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575264424 949425793 /nfs/dbraw/zinc/42/57/93/949425793.db2.gz OANCBPVYVHXTOH-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001575867133 949431044 /nfs/dbraw/zinc/43/10/44/949431044.db2.gz YCAYPTYJLHQZIS-JTQLQIEISA-N -1 1 385.409 0.793 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575264795 949435280 /nfs/dbraw/zinc/43/52/80/949435280.db2.gz QODRBXJDFNOUAC-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575534902 949436323 /nfs/dbraw/zinc/43/63/23/949436323.db2.gz RVNBHGMGGUSFLH-ZDUSSCGKSA-N -1 1 386.460 0.546 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573803275 949438159 /nfs/dbraw/zinc/43/81/59/949438159.db2.gz PHBKODKPJZFPFU-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573803275 949438169 /nfs/dbraw/zinc/43/81/69/949438169.db2.gz PHBKODKPJZFPFU-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC1(C(=O)N2CCC(N(CCO)c3ccc(-c4nnn[n-]4)nn3)CC2)CCC1 ZINC001575535142 949439115 /nfs/dbraw/zinc/43/91/15/949439115.db2.gz SQMBOBWOLZFPGV-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC(N(CCO)c3ccc(-c4nn[n-]n4)nn3)CC2)CCC1 ZINC001575535142 949439130 /nfs/dbraw/zinc/43/91/30/949439130.db2.gz SQMBOBWOLZFPGV-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2ccccc12)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574947059 949444526 /nfs/dbraw/zinc/44/45/26/949444526.db2.gz YVBMJNWCALMUQZ-GFCCVEGCSA-N -1 1 392.427 0.488 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2ccccc12)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574947059 949444543 /nfs/dbraw/zinc/44/45/43/949444543.db2.gz YVBMJNWCALMUQZ-GFCCVEGCSA-N -1 1 392.427 0.488 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574706077 949445871 /nfs/dbraw/zinc/44/58/71/949445871.db2.gz XAJNZJJKWKWMNX-QQDQCYIDSA-N -1 1 390.451 0.923 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1 ZINC001574467962 949446301 /nfs/dbraw/zinc/44/63/01/949446301.db2.gz BDXPWNBJHCYLGH-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1 ZINC001574467962 949446316 /nfs/dbraw/zinc/44/63/16/949446316.db2.gz BDXPWNBJHCYLGH-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575265536 949446568 /nfs/dbraw/zinc/44/65/68/949446568.db2.gz ULZCNNGYIWHOHH-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575265536 949446586 /nfs/dbraw/zinc/44/65/86/949446586.db2.gz ULZCNNGYIWHOHH-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)Cn1ncc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574947514 949447925 /nfs/dbraw/zinc/44/79/25/949447925.db2.gz BRHKNOFVWSJXLR-NSHDSACASA-N -1 1 378.400 0.623 20 0 GCADMM C[C@@H](CNC(=O)Cn1ncc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574947514 949447938 /nfs/dbraw/zinc/44/79/38/949447938.db2.gz BRHKNOFVWSJXLR-NSHDSACASA-N -1 1 378.400 0.623 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574467967 949448399 /nfs/dbraw/zinc/44/83/99/949448399.db2.gz BGBRKVWCKXALLR-GFCCVEGCSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574467941 949448627 /nfs/dbraw/zinc/44/86/27/949448627.db2.gz AAXJKOAQWHNODY-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574467941 949448646 /nfs/dbraw/zinc/44/86/46/949448646.db2.gz AAXJKOAQWHNODY-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC1(C(=O)N2CCC(N(CCO)c3cnc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC001575535577 949448965 /nfs/dbraw/zinc/44/89/65/949448965.db2.gz YVMRQMOMFMQBKS-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC(N(CCO)c3cnc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC001575535577 949448985 /nfs/dbraw/zinc/44/89/85/949448985.db2.gz YVMRQMOMFMQBKS-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706196 949450151 /nfs/dbraw/zinc/45/01/51/949450151.db2.gz LKQCEAKWABAGLP-QWRGUYRKSA-N -1 1 382.432 0.759 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC001574468020 949451845 /nfs/dbraw/zinc/45/18/45/949451845.db2.gz DTYIWHQZGFAHRY-VXGBXAGGSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC001574468020 949451863 /nfs/dbraw/zinc/45/18/63/949451863.db2.gz DTYIWHQZGFAHRY-VXGBXAGGSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574468018 949454637 /nfs/dbraw/zinc/45/46/37/949454637.db2.gz DPIQACVMEWAGTR-HAQNSBGRSA-N -1 1 382.432 0.477 20 0 GCADMM CC1(C(=O)N2CC[C@@]3(C2)CN(c2ccc(-c4nnn[n-]4)nn2)CCO3)CCC1 ZINC001575535803 949459975 /nfs/dbraw/zinc/45/99/75/949459975.db2.gz BJFGHVIRWUGGGN-SFHVURJKSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CC[C@@]3(C2)CN(c2ccc(-c4nn[n-]n4)nn2)CCO3)CCC1 ZINC001575535803 949459982 /nfs/dbraw/zinc/45/99/82/949459982.db2.gz BJFGHVIRWUGGGN-SFHVURJKSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574948351 949461505 /nfs/dbraw/zinc/46/15/05/949461505.db2.gz IFRNBPZJWRVTAX-QMMMGPOBSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574948351 949461518 /nfs/dbraw/zinc/46/15/18/949461518.db2.gz IFRNBPZJWRVTAX-QMMMGPOBSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1nccnc1-c1nnn[n-]1 ZINC001574948367 949464373 /nfs/dbraw/zinc/46/43/73/949464373.db2.gz IHEBDQUPDKMOMM-SECBINFHSA-N -1 1 376.812 0.371 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1nccnc1-c1nn[n-]n1 ZINC001574948367 949464381 /nfs/dbraw/zinc/46/43/81/949464381.db2.gz IHEBDQUPDKMOMM-SECBINFHSA-N -1 1 376.812 0.371 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574468957 949470854 /nfs/dbraw/zinc/47/08/54/949470854.db2.gz WGPLUMCJYOOTSH-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574468957 949470872 /nfs/dbraw/zinc/47/08/72/949470872.db2.gz WGPLUMCJYOOTSH-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574469780 949479624 /nfs/dbraw/zinc/47/96/24/949479624.db2.gz GWDFZODHKTZRPN-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574469780 949479636 /nfs/dbraw/zinc/47/96/36/949479636.db2.gz GWDFZODHKTZRPN-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001574469701 949480375 /nfs/dbraw/zinc/48/03/75/949480375.db2.gz FXFIHPILANVVBB-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001574469701 949480388 /nfs/dbraw/zinc/48/03/88/949480388.db2.gz FXFIHPILANVVBB-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnon1 ZINC001576157348 949481461 /nfs/dbraw/zinc/48/14/61/949481461.db2.gz PWTNKURRMGIHHH-QLJPJBMISA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnon1 ZINC001576157348 949481468 /nfs/dbraw/zinc/48/14/68/949481468.db2.gz PWTNKURRMGIHHH-QLJPJBMISA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccon1 ZINC001576157434 949484042 /nfs/dbraw/zinc/48/40/42/949484042.db2.gz QIWTWUNKZYDAGM-DIFFPNOSSA-N -1 1 383.416 0.857 20 0 GCADMM CC(C)n1nccc1C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574470009 949485963 /nfs/dbraw/zinc/48/59/63/949485963.db2.gz KGLAGRCYEWEAMU-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574118355 949488136 /nfs/dbraw/zinc/48/81/36/949488136.db2.gz FLJSDUOECYOHFS-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574118355 949488153 /nfs/dbraw/zinc/48/81/53/949488153.db2.gz FLJSDUOECYOHFS-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574117991 949489349 /nfs/dbraw/zinc/48/93/49/949489349.db2.gz COBIMTDVQVOCNU-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574117991 949489362 /nfs/dbraw/zinc/48/93/62/949489362.db2.gz COBIMTDVQVOCNU-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574117987 949489678 /nfs/dbraw/zinc/48/96/78/949489678.db2.gz COBIMTDVQVOCNU-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574117987 949489691 /nfs/dbraw/zinc/48/96/91/949489691.db2.gz COBIMTDVQVOCNU-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574470470 949503354 /nfs/dbraw/zinc/50/33/54/949503354.db2.gz SJHDPHZFWTVQBG-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574470470 949503369 /nfs/dbraw/zinc/50/33/69/949503369.db2.gz SJHDPHZFWTVQBG-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575267384 949505520 /nfs/dbraw/zinc/50/55/20/949505520.db2.gz IPLCTGULMNEORF-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575267384 949505537 /nfs/dbraw/zinc/50/55/37/949505537.db2.gz IPLCTGULMNEORF-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001574949865 949512618 /nfs/dbraw/zinc/51/26/18/949512618.db2.gz FOYQLOJAOXKQSH-NSHDSACASA-N -1 1 384.400 0.232 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574470747 949514780 /nfs/dbraw/zinc/51/47/80/949514780.db2.gz GCCWVSIELBBWKG-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574470747 949514793 /nfs/dbraw/zinc/51/47/93/949514793.db2.gz GCCWVSIELBBWKG-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnon1 ZINC001576159371 949517872 /nfs/dbraw/zinc/51/78/72/949517872.db2.gz WVIWKJMNQYUNKE-QLJPJBMISA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnon1 ZINC001576159371 949517898 /nfs/dbraw/zinc/51/78/98/949517898.db2.gz WVIWKJMNQYUNKE-QLJPJBMISA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CCOC1 ZINC001575538213 949518795 /nfs/dbraw/zinc/51/87/95/949518795.db2.gz FBSBWAZKDHNUED-QZTJIDSGSA-N -1 1 384.444 0.512 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574470894 949522688 /nfs/dbraw/zinc/52/26/88/949522688.db2.gz XAULUSPKPQLMLZ-PJXYFTJBSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574470894 949522704 /nfs/dbraw/zinc/52/27/04/949522704.db2.gz XAULUSPKPQLMLZ-PJXYFTJBSA-N -1 1 380.416 0.299 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710988 949523089 /nfs/dbraw/zinc/52/30/89/949523089.db2.gz CZXRKFAOGRCVCY-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710988 949523102 /nfs/dbraw/zinc/52/31/02/949523102.db2.gz CZXRKFAOGRCVCY-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710986 949523918 /nfs/dbraw/zinc/52/39/18/949523918.db2.gz CZXRKFAOGRCVCY-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710986 949523935 /nfs/dbraw/zinc/52/39/35/949523935.db2.gz CZXRKFAOGRCVCY-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM CC1(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575538830 949530865 /nfs/dbraw/zinc/53/08/65/949530865.db2.gz JQDZKUBIWUJCNZ-JTQLQIEISA-N -1 1 378.387 0.917 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575538831 949533258 /nfs/dbraw/zinc/53/32/58/949533258.db2.gz JQDZKUBIWUJCNZ-SNVBAGLBSA-N -1 1 378.387 0.917 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576163467 949535298 /nfs/dbraw/zinc/53/52/98/949535298.db2.gz BMWRRLSQJZGEMT-ZFWWWQNUSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576163467 949535311 /nfs/dbraw/zinc/53/53/11/949535311.db2.gz BMWRRLSQJZGEMT-ZFWWWQNUSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576163957 949543383 /nfs/dbraw/zinc/54/33/83/949543383.db2.gz DOWLXXOPPPKLBM-OLZOCXBDSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872314 949544350 /nfs/dbraw/zinc/54/43/50/949544350.db2.gz HOYNHOFCGAIVCU-NWDGAFQWSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711567 949544882 /nfs/dbraw/zinc/54/48/82/949544882.db2.gz JGGQKNZRIWRRGE-LBPRGKRZSA-N -1 1 378.440 0.752 20 0 GCADMM C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575539608 949553957 /nfs/dbraw/zinc/55/39/57/949553957.db2.gz RPFDKZDQOIGJSC-VBHSOAQHSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575539608 949553970 /nfs/dbraw/zinc/55/39/70/949553970.db2.gz RPFDKZDQOIGJSC-VBHSOAQHSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574472958 949556110 /nfs/dbraw/zinc/55/61/10/949556110.db2.gz WXQJPFSAOVZSGE-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574472958 949556131 /nfs/dbraw/zinc/55/61/31/949556131.db2.gz WXQJPFSAOVZSGE-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CCOC1 ZINC001575539754 949558522 /nfs/dbraw/zinc/55/85/22/949558522.db2.gz SPQHTZJMDDKKNZ-MSOLQXFVSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CCOC1 ZINC001575539754 949558537 /nfs/dbraw/zinc/55/85/37/949558537.db2.gz SPQHTZJMDDKKNZ-MSOLQXFVSA-N -1 1 384.444 0.512 20 0 GCADMM CC1(C(=O)N2CCC[C@@](CO)(Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575539738 949559363 /nfs/dbraw/zinc/55/93/63/949559363.db2.gz SIXWDWBBLWCPMT-GOSISDBHSA-N -1 1 386.460 0.424 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574955106 949560511 /nfs/dbraw/zinc/56/05/11/949560511.db2.gz BFHNFIMZFSTXRP-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574955106 949560530 /nfs/dbraw/zinc/56/05/30/949560530.db2.gz BFHNFIMZFSTXRP-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872940 949560682 /nfs/dbraw/zinc/56/06/82/949560682.db2.gz MHNMDMLWCDVZFZ-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574472967 949562794 /nfs/dbraw/zinc/56/27/94/949562794.db2.gz XJZXTQMKKXSREU-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574472967 949562815 /nfs/dbraw/zinc/56/28/15/949562815.db2.gz XJZXTQMKKXSREU-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164939 949565230 /nfs/dbraw/zinc/56/52/30/949565230.db2.gz INYUKIJRJGFHCK-GXTWGEPZSA-N -1 1 384.444 0.464 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575269895 949566543 /nfs/dbraw/zinc/56/65/43/949566543.db2.gz XGSQDPIGSWXQQQ-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576165330 949567472 /nfs/dbraw/zinc/56/74/72/949567472.db2.gz JQDNGKOVYVVHSW-ZFWWWQNUSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576165330 949567493 /nfs/dbraw/zinc/56/74/93/949567493.db2.gz JQDNGKOVYVVHSW-ZFWWWQNUSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574475449 949568207 /nfs/dbraw/zinc/56/82/07/949568207.db2.gz AHJVANOEZHZCFK-RYUDHWBXSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574475449 949568217 /nfs/dbraw/zinc/56/82/17/949568217.db2.gz AHJVANOEZHZCFK-RYUDHWBXSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574473250 949568701 /nfs/dbraw/zinc/56/87/01/949568701.db2.gz ZFGWLOZOYPRUTR-OLZOCXBDSA-N -1 1 381.444 0.926 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574475994 949581470 /nfs/dbraw/zinc/58/14/70/949581470.db2.gz DYEVSKFSWUCIDH-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575544546 949585303 /nfs/dbraw/zinc/58/53/03/949585303.db2.gz FKFUCWBDMBNQRO-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575544546 949585318 /nfs/dbraw/zinc/58/53/18/949585318.db2.gz FKFUCWBDMBNQRO-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)C[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574125241 949586182 /nfs/dbraw/zinc/58/61/82/949586182.db2.gz OTYFOLKJTOBTTM-AWEZNQCLSA-N -1 1 384.448 0.693 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712707 949585880 /nfs/dbraw/zinc/58/58/80/949585880.db2.gz TUGNPFNBNAZZMF-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575270480 949590966 /nfs/dbraw/zinc/59/09/66/949590966.db2.gz CNHBITYGHCCPNK-MNOVXSKESA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575270480 949590980 /nfs/dbraw/zinc/59/09/80/949590980.db2.gz CNHBITYGHCCPNK-MNOVXSKESA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@]1(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575545259 949595426 /nfs/dbraw/zinc/59/54/26/949595426.db2.gz JQKCSRWXPYOBGL-SCLBCKFNSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCCNC(=O)C1CC1 ZINC001575270789 949599798 /nfs/dbraw/zinc/59/97/98/949599798.db2.gz GGDGFJKIOJCSPY-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCCNC(=O)C1CC1 ZINC001575270789 949599818 /nfs/dbraw/zinc/59/98/18/949599818.db2.gz GGDGFJKIOJCSPY-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713267 949601231 /nfs/dbraw/zinc/60/12/31/949601231.db2.gz WRLRKMFBJWCXRT-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713267 949601249 /nfs/dbraw/zinc/60/12/49/949601249.db2.gz WRLRKMFBJWCXRT-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575270732 949602663 /nfs/dbraw/zinc/60/26/63/949602663.db2.gz FTAGEUCTMUBRAQ-NWDGAFQWSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574713443 949602936 /nfs/dbraw/zinc/60/29/36/949602936.db2.gz XNMBQMNLPXJLGO-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713518 949603309 /nfs/dbraw/zinc/60/33/09/949603309.db2.gz XVAAQHUBMQXELG-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713518 949603319 /nfs/dbraw/zinc/60/33/19/949603319.db2.gz XVAAQHUBMQXELG-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713521 949603423 /nfs/dbraw/zinc/60/34/23/949603423.db2.gz XVAAQHUBMQXELG-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713521 949603441 /nfs/dbraw/zinc/60/34/41/949603441.db2.gz XVAAQHUBMQXELG-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576167554 949610626 /nfs/dbraw/zinc/61/06/26/949610626.db2.gz QMHQPNPWWQKILB-AAEUAGOBSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576167554 949610645 /nfs/dbraw/zinc/61/06/45/949610645.db2.gz QMHQPNPWWQKILB-AAEUAGOBSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575546474 949612151 /nfs/dbraw/zinc/61/21/51/949612151.db2.gz QOCSVCBVTCTYCD-DEYYWGMASA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575546474 949612160 /nfs/dbraw/zinc/61/21/60/949612160.db2.gz QOCSVCBVTCTYCD-DEYYWGMASA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574476666 949614279 /nfs/dbraw/zinc/61/42/79/949614279.db2.gz JCBPGTDDYQYYKT-OLZOCXBDSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574476666 949614288 /nfs/dbraw/zinc/61/42/88/949614288.db2.gz JCBPGTDDYQYYKT-OLZOCXBDSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575271540 949618799 /nfs/dbraw/zinc/61/87/99/949618799.db2.gz KMSLJPXEEPZFCR-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575271540 949618812 /nfs/dbraw/zinc/61/88/12/949618812.db2.gz KMSLJPXEEPZFCR-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574476878 949626429 /nfs/dbraw/zinc/62/64/29/949626429.db2.gz LDMRJYDUIHQVIR-VXGBXAGGSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574476878 949626435 /nfs/dbraw/zinc/62/64/35/949626435.db2.gz LDMRJYDUIHQVIR-VXGBXAGGSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H](C)NC(=O)CCNC(N)=O ZINC001575272084 949632765 /nfs/dbraw/zinc/63/27/65/949632765.db2.gz NHRZUHJZEJATIA-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574957888 949637316 /nfs/dbraw/zinc/63/73/16/949637316.db2.gz BSYVINUNNWGIKB-KWCYVHTRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574957888 949637326 /nfs/dbraw/zinc/63/73/26/949637326.db2.gz BSYVINUNNWGIKB-KWCYVHTRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575547700 949638800 /nfs/dbraw/zinc/63/88/00/949638800.db2.gz DRNHICVLOMHEFQ-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575547700 949638817 /nfs/dbraw/zinc/63/88/17/949638817.db2.gz DRNHICVLOMHEFQ-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)COCC(F)F ZINC001573814245 949639616 /nfs/dbraw/zinc/63/96/16/949639616.db2.gz CGKZEHASCPPBRS-SECBINFHSA-N -1 1 384.391 0.303 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575547712 949640111 /nfs/dbraw/zinc/64/01/11/949640111.db2.gz DZQFFKUBZAONPA-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575547712 949640122 /nfs/dbraw/zinc/64/01/22/949640122.db2.gz DZQFFKUBZAONPA-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715107 949640371 /nfs/dbraw/zinc/64/03/71/949640371.db2.gz BAKPPAAFRLTBJG-STQMWFEESA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575876300 949645120 /nfs/dbraw/zinc/64/51/20/949645120.db2.gz JSURBOJDSALMIA-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575876300 949645129 /nfs/dbraw/zinc/64/51/29/949645129.db2.gz JSURBOJDSALMIA-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H](CC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574477238 949646018 /nfs/dbraw/zinc/64/60/18/949646018.db2.gz PHCWNGOFJAUMEB-SNVBAGLBSA-N -1 1 390.452 0.000 20 0 GCADMM C[C@H](CC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574477238 949646031 /nfs/dbraw/zinc/64/60/31/949646031.db2.gz PHCWNGOFJAUMEB-SNVBAGLBSA-N -1 1 390.452 0.000 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574477281 949647631 /nfs/dbraw/zinc/64/76/31/949647631.db2.gz PTZDVFNNAOZCBI-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574477281 949647643 /nfs/dbraw/zinc/64/76/43/949647643.db2.gz PTZDVFNNAOZCBI-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575547989 949651585 /nfs/dbraw/zinc/65/15/85/949651585.db2.gz LKTIAQKKEUWLMS-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575547989 949651600 /nfs/dbraw/zinc/65/16/00/949651600.db2.gz LKTIAQKKEUWLMS-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715608 949655273 /nfs/dbraw/zinc/65/52/73/949655273.db2.gz JKERSAIRZWCHJY-QWHCGFSZSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715606 949657828 /nfs/dbraw/zinc/65/78/28/949657828.db2.gz JKERSAIRZWCHJY-CHWSQXEVSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877170 949658095 /nfs/dbraw/zinc/65/80/95/949658095.db2.gz KZCDYESQTMFOMB-NXEZZACHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877170 949658102 /nfs/dbraw/zinc/65/81/02/949658102.db2.gz KZCDYESQTMFOMB-NXEZZACHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574477596 949664056 /nfs/dbraw/zinc/66/40/56/949664056.db2.gz PQVNWBOGHOTYKB-VIFPVBQESA-N -1 1 388.354 0.478 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574477596 949664066 /nfs/dbraw/zinc/66/40/66/949664066.db2.gz PQVNWBOGHOTYKB-VIFPVBQESA-N -1 1 388.354 0.478 20 0 GCADMM CC1(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575548219 949664602 /nfs/dbraw/zinc/66/46/02/949664602.db2.gz UMONQAQVFGIFML-LBPRGKRZSA-N -1 1 388.432 0.113 20 0 GCADMM CC1(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575548219 949664619 /nfs/dbraw/zinc/66/46/19/949664619.db2.gz UMONQAQVFGIFML-LBPRGKRZSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573815930 949664596 /nfs/dbraw/zinc/66/45/96/949664596.db2.gz LZLLHMBWNNOUBU-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573815930 949664616 /nfs/dbraw/zinc/66/46/16/949664616.db2.gz LZLLHMBWNNOUBU-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573816128 949669214 /nfs/dbraw/zinc/66/92/14/949669214.db2.gz OOMMJQPIEOMCRK-CHWSQXEVSA-N -1 1 388.476 0.838 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001573816132 949669448 /nfs/dbraw/zinc/66/94/48/949669448.db2.gz OOXHPQXHKHWADW-GFCCVEGCSA-N -1 1 384.448 0.377 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573816129 949670412 /nfs/dbraw/zinc/67/04/12/949670412.db2.gz OOMMJQPIEOMCRK-OLZOCXBDSA-N -1 1 388.476 0.838 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cncn1 ZINC001573816126 949671627 /nfs/dbraw/zinc/67/16/27/949671627.db2.gz OOCYCAOWYZPSPG-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cncn1 ZINC001573816126 949671640 /nfs/dbraw/zinc/67/16/40/949671640.db2.gz OOCYCAOWYZPSPG-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169276 949672351 /nfs/dbraw/zinc/67/23/51/949672351.db2.gz GEJCIHXKHSFBIB-ODXJTPSBSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169276 949672359 /nfs/dbraw/zinc/67/23/59/949672359.db2.gz GEJCIHXKHSFBIB-ODXJTPSBSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575273820 949673771 /nfs/dbraw/zinc/67/37/71/949673771.db2.gz YFTPLRQTDRATTE-RYUDHWBXSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575273820 949673787 /nfs/dbraw/zinc/67/37/87/949673787.db2.gz YFTPLRQTDRATTE-RYUDHWBXSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575273817 949673915 /nfs/dbraw/zinc/67/39/15/949673915.db2.gz YFTPLRQTDRATTE-NEPJUHHUSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575273817 949673937 /nfs/dbraw/zinc/67/39/37/949673937.db2.gz YFTPLRQTDRATTE-NEPJUHHUSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001574477778 949674132 /nfs/dbraw/zinc/67/41/32/949674132.db2.gz RKKDCKLNBCSSNX-STQMWFEESA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001574477778 949674152 /nfs/dbraw/zinc/67/41/52/949674152.db2.gz RKKDCKLNBCSSNX-STQMWFEESA-N -1 1 390.448 0.095 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573816729 949682989 /nfs/dbraw/zinc/68/29/89/949682989.db2.gz UYFMFEQZKQBLQU-SGTLLEGYSA-N -1 1 388.476 0.573 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)COC1CCCC1 ZINC001573816670 949684999 /nfs/dbraw/zinc/68/49/99/949684999.db2.gz UKNLMKNWBMMFKJ-CYBMUJFWSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574477909 949685486 /nfs/dbraw/zinc/68/54/86/949685486.db2.gz WHQVYHQAQBNBKN-BDAKNGLRSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574477909 949685499 /nfs/dbraw/zinc/68/54/99/949685499.db2.gz WHQVYHQAQBNBKN-BDAKNGLRSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879845 949693106 /nfs/dbraw/zinc/69/31/06/949693106.db2.gz RXLCMVJECSDPJB-YPMHNXCESA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879845 949693117 /nfs/dbraw/zinc/69/31/17/949693117.db2.gz RXLCMVJECSDPJB-YPMHNXCESA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574478133 949697130 /nfs/dbraw/zinc/69/71/30/949697130.db2.gz XUQZDYRDKAHAAD-STQMWFEESA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574478133 949697148 /nfs/dbraw/zinc/69/71/48/949697148.db2.gz XUQZDYRDKAHAAD-STQMWFEESA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574478319 949701987 /nfs/dbraw/zinc/70/19/87/949701987.db2.gz YNLBMHDDATUUQN-NEPJUHHUSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574478319 949702008 /nfs/dbraw/zinc/70/20/08/949702008.db2.gz YNLBMHDDATUUQN-NEPJUHHUSA-N -1 1 386.416 0.675 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573817708 949703316 /nfs/dbraw/zinc/70/33/16/949703316.db2.gz AJKUCVDWKYWIIE-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573817708 949703326 /nfs/dbraw/zinc/70/33/26/949703326.db2.gz AJKUCVDWKYWIIE-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880582 949705150 /nfs/dbraw/zinc/70/51/50/949705150.db2.gz UPFBCHZWORQXDF-NXEZZACHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880627 949705440 /nfs/dbraw/zinc/70/54/40/949705440.db2.gz VAAUMNYAACKHHJ-JSGCOSHPSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170233 949708785 /nfs/dbraw/zinc/70/87/85/949708785.db2.gz LBYQWHVBQPOFAN-UONOGXRCSA-N -1 1 388.476 0.528 20 0 GCADMM C[C@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575276131 949708910 /nfs/dbraw/zinc/70/89/10/949708910.db2.gz GTXFSMAJBHRQPV-STQMWFEESA-N -1 1 382.428 0.853 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574959374 949709916 /nfs/dbraw/zinc/70/99/16/949709916.db2.gz QQGWYGOJDGNDRR-QJPTWQEYSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574959374 949709940 /nfs/dbraw/zinc/70/99/40/949709940.db2.gz QQGWYGOJDGNDRR-QJPTWQEYSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](CC(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1)NC(N)=O ZINC001574478519 949712467 /nfs/dbraw/zinc/71/24/67/949712467.db2.gz YOOGCPHUGRUNNF-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H](CC(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1)NC(N)=O ZINC001574478519 949712480 /nfs/dbraw/zinc/71/24/80/949712480.db2.gz YOOGCPHUGRUNNF-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170248 949712820 /nfs/dbraw/zinc/71/28/20/949712820.db2.gz JQKOJSMVMGSDHE-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170248 949712837 /nfs/dbraw/zinc/71/28/37/949712837.db2.gz JQKOJSMVMGSDHE-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574959449 949715062 /nfs/dbraw/zinc/71/50/62/949715062.db2.gz SKPZETRUUHXSAS-IJLUTSLNSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574959449 949715071 /nfs/dbraw/zinc/71/50/71/949715071.db2.gz SKPZETRUUHXSAS-IJLUTSLNSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574959443 949715950 /nfs/dbraw/zinc/71/59/50/949715950.db2.gz SIAWQZVUDIAKSU-FPMFFAJLSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574959443 949715961 /nfs/dbraw/zinc/71/59/61/949715961.db2.gz SIAWQZVUDIAKSU-FPMFFAJLSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574959810 949719072 /nfs/dbraw/zinc/71/90/72/949719072.db2.gz UJTHJYBSTNOLTM-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574959810 949719089 /nfs/dbraw/zinc/71/90/89/949719089.db2.gz UJTHJYBSTNOLTM-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881305 949719962 /nfs/dbraw/zinc/71/99/62/949719962.db2.gz XGWKVZGIEJQHRF-JSGCOSHPSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881305 949719979 /nfs/dbraw/zinc/71/99/79/949719979.db2.gz XGWKVZGIEJQHRF-JSGCOSHPSA-N -1 1 379.428 0.768 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574134621 949722348 /nfs/dbraw/zinc/72/23/48/949722348.db2.gz HYUUARQPSWJTNS-ZIAGYGMSSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574134621 949722369 /nfs/dbraw/zinc/72/23/69/949722369.db2.gz HYUUARQPSWJTNS-ZIAGYGMSSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881467 949723773 /nfs/dbraw/zinc/72/37/73/949723773.db2.gz XXJLILYMOGDCLL-TZMCWYRMSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881467 949723791 /nfs/dbraw/zinc/72/37/91/949723791.db2.gz XXJLILYMOGDCLL-TZMCWYRMSA-N -1 1 379.428 0.768 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001573818240 949728675 /nfs/dbraw/zinc/72/86/75/949728675.db2.gz ITTCKHGKQLGKCJ-VIFPVBQESA-N -1 1 389.445 0.497 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574960937 949729295 /nfs/dbraw/zinc/72/92/95/949729295.db2.gz YMWUTNOLFGMSME-IJLUTSLNSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574960937 949729309 /nfs/dbraw/zinc/72/93/09/949729309.db2.gz YMWUTNOLFGMSME-IJLUTSLNSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574960902 949731176 /nfs/dbraw/zinc/73/11/76/949731176.db2.gz YFZMRPFJYBYTPM-KGYLQXTDSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574960902 949731187 /nfs/dbraw/zinc/73/11/87/949731187.db2.gz YFZMRPFJYBYTPM-KGYLQXTDSA-N -1 1 382.432 0.135 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573818344 949732840 /nfs/dbraw/zinc/73/28/40/949732840.db2.gz LMHUQMTZFYGCSI-NSHDSACASA-N -1 1 383.416 0.436 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573818477 949733105 /nfs/dbraw/zinc/73/31/05/949733105.db2.gz MEEXQCABINPCQW-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573818477 949733127 /nfs/dbraw/zinc/73/31/27/949733127.db2.gz MEEXQCABINPCQW-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573818479 949734288 /nfs/dbraw/zinc/73/42/88/949734288.db2.gz MEEXQCABINPCQW-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573818479 949734299 /nfs/dbraw/zinc/73/42/99/949734299.db2.gz MEEXQCABINPCQW-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cncn1 ZINC001573818530 949735274 /nfs/dbraw/zinc/73/52/74/949735274.db2.gz NDAPMJCVXDIGGV-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cncn1 ZINC001573818530 949735296 /nfs/dbraw/zinc/73/52/96/949735296.db2.gz NDAPMJCVXDIGGV-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573818480 949736014 /nfs/dbraw/zinc/73/60/14/949736014.db2.gz MEEXQCABINPCQW-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573818480 949736027 /nfs/dbraw/zinc/73/60/27/949736027.db2.gz MEEXQCABINPCQW-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574962538 949737104 /nfs/dbraw/zinc/73/71/04/949737104.db2.gz BFHNFIMZFSTXRP-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574962538 949737116 /nfs/dbraw/zinc/73/71/16/949737116.db2.gz BFHNFIMZFSTXRP-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574136382 949742163 /nfs/dbraw/zinc/74/21/63/949742163.db2.gz PAQYXUFHIKRMDG-UONOGXRCSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573818695 949742114 /nfs/dbraw/zinc/74/21/14/949742114.db2.gz OIDHADYDOIPGEI-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573818695 949742126 /nfs/dbraw/zinc/74/21/26/949742126.db2.gz OIDHADYDOIPGEI-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574136338 949742436 /nfs/dbraw/zinc/74/24/36/949742436.db2.gz ONPZMHCEHXURSV-KBPBESRZSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574136338 949742454 /nfs/dbraw/zinc/74/24/54/949742454.db2.gz ONPZMHCEHXURSV-KBPBESRZSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@H]1CCCC[C@@H]1CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576170835 949743585 /nfs/dbraw/zinc/74/35/85/949743585.db2.gz NQCJOJNOFJQPTI-NWDGAFQWSA-N -1 1 375.433 0.852 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1COCCO1 ZINC001573818747 949747287 /nfs/dbraw/zinc/74/72/87/949747287.db2.gz PJBJFGIQIRCCDU-VXGBXAGGSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1COCCO1 ZINC001573818747 949747299 /nfs/dbraw/zinc/74/72/99/949747299.db2.gz PJBJFGIQIRCCDU-VXGBXAGGSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574480963 949762867 /nfs/dbraw/zinc/76/28/67/949762867.db2.gz LRSQNVCRJHICGG-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574480963 949762883 /nfs/dbraw/zinc/76/28/83/949762883.db2.gz LRSQNVCRJHICGG-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171743 949776537 /nfs/dbraw/zinc/77/65/37/949776537.db2.gz RTUMHGTVSYHXHQ-YPMHNXCESA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171743 949776549 /nfs/dbraw/zinc/77/65/49/949776549.db2.gz RTUMHGTVSYHXHQ-YPMHNXCESA-N -1 1 387.448 0.351 20 0 GCADMM C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575559997 949777490 /nfs/dbraw/zinc/77/74/90/949777490.db2.gz HYMCXVZDMPFIIE-WCMHJXIUSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575559997 949777507 /nfs/dbraw/zinc/77/75/07/949777507.db2.gz HYMCXVZDMPFIIE-WCMHJXIUSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574481425 949779853 /nfs/dbraw/zinc/77/98/53/949779853.db2.gz PMZMXPSVNQHKFI-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574481425 949779869 /nfs/dbraw/zinc/77/98/69/949779869.db2.gz PMZMXPSVNQHKFI-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575882596 949782519 /nfs/dbraw/zinc/78/25/19/949782519.db2.gz NEBJZJDADSTGHP-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575882596 949782536 /nfs/dbraw/zinc/78/25/36/949782536.db2.gz NEBJZJDADSTGHP-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574481517 949783942 /nfs/dbraw/zinc/78/39/42/949783942.db2.gz QQXQKKVQRXAEEQ-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574481517 949783953 /nfs/dbraw/zinc/78/39/53/949783953.db2.gz QQXQKKVQRXAEEQ-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM O=C([O-])c1cnc(C(=O)N[C@@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)cn1 ZINC001595268202 949786055 /nfs/dbraw/zinc/78/60/55/949786055.db2.gz SROZCFKKSBEKHA-LLVKDONJSA-N -1 1 377.723 1.000 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001573822211 949786261 /nfs/dbraw/zinc/78/62/61/949786261.db2.gz GRUVWIBZLLFMHG-WDEREUQCSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001573822211 949786278 /nfs/dbraw/zinc/78/62/78/949786278.db2.gz GRUVWIBZLLFMHG-WDEREUQCSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCn1cc(Cl)cn1 ZINC001575279761 949789619 /nfs/dbraw/zinc/78/96/19/949789619.db2.gz ZOJSTKHUWYLIGS-ZJUUUORDSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCn1cc(Cl)cn1 ZINC001575279761 949789639 /nfs/dbraw/zinc/78/96/39/949789639.db2.gz ZOJSTKHUWYLIGS-ZJUUUORDSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574964920 949791737 /nfs/dbraw/zinc/79/17/37/949791737.db2.gz BZSLJLCKYOVOPY-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574964920 949791747 /nfs/dbraw/zinc/79/17/47/949791747.db2.gz BZSLJLCKYOVOPY-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720636 949798457 /nfs/dbraw/zinc/79/84/57/949798457.db2.gz FBSYGMYRSKIBOO-CYBMUJFWSA-N -1 1 381.444 0.755 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574965488 949798845 /nfs/dbraw/zinc/79/88/45/949798845.db2.gz GKVCUHLSOKEAIX-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574965488 949798856 /nfs/dbraw/zinc/79/88/56/949798856.db2.gz GKVCUHLSOKEAIX-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573822967 949806758 /nfs/dbraw/zinc/80/67/58/949806758.db2.gz OOFBSCQTZXEJPJ-BTDLBPIBSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573822967 949806780 /nfs/dbraw/zinc/80/67/80/949806780.db2.gz OOFBSCQTZXEJPJ-BTDLBPIBSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573822963 949809068 /nfs/dbraw/zinc/80/90/68/949809068.db2.gz OKVLBAIOWTYAFE-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573822963 949809091 /nfs/dbraw/zinc/80/90/91/949809091.db2.gz OKVLBAIOWTYAFE-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc[n+]([O-])cc1 ZINC001573822946 949810872 /nfs/dbraw/zinc/81/08/72/949810872.db2.gz NZBSJMTVVOPBCK-ZDUSSCGKSA-N -1 1 383.416 0.547 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc[n+]([O-])cc1 ZINC001573822946 949810889 /nfs/dbraw/zinc/81/08/89/949810889.db2.gz NZBSJMTVVOPBCK-ZDUSSCGKSA-N -1 1 383.416 0.547 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574481909 949810958 /nfs/dbraw/zinc/81/09/58/949810958.db2.gz XIQNZHZZUUMKLL-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574481909 949810981 /nfs/dbraw/zinc/81/09/81/949810981.db2.gz XIQNZHZZUUMKLL-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)COCc1ccncc1 ZINC001575281576 949811955 /nfs/dbraw/zinc/81/19/55/949811955.db2.gz HFFKIMQOCUNUIA-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)COCc1ccncc1 ZINC001575281576 949811974 /nfs/dbraw/zinc/81/19/74/949811974.db2.gz HFFKIMQOCUNUIA-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCOCC1 ZINC001575561560 949812375 /nfs/dbraw/zinc/81/23/75/949812375.db2.gz BGPBYKMLLPKDIG-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCOCC1 ZINC001575561560 949812392 /nfs/dbraw/zinc/81/23/92/949812392.db2.gz BGPBYKMLLPKDIG-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573823232 949821586 /nfs/dbraw/zinc/82/15/86/949821586.db2.gz RXGYKJWJXLVSGW-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573823232 949821614 /nfs/dbraw/zinc/82/16/14/949821614.db2.gz RXGYKJWJXLVSGW-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574482048 949822724 /nfs/dbraw/zinc/82/27/24/949822724.db2.gz ZTFXLLGXQAEOGV-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574482048 949822748 /nfs/dbraw/zinc/82/27/48/949822748.db2.gz ZTFXLLGXQAEOGV-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001574483581 949824164 /nfs/dbraw/zinc/82/41/64/949824164.db2.gz DNZVZFYIPVCMLC-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001574483581 949824186 /nfs/dbraw/zinc/82/41/86/949824186.db2.gz DNZVZFYIPVCMLC-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722120 949827532 /nfs/dbraw/zinc/82/75/32/949827532.db2.gz PKLDCIDKVYSQAM-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722120 949827554 /nfs/dbraw/zinc/82/75/54/949827554.db2.gz PKLDCIDKVYSQAM-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccncc1 ZINC001574483516 949828229 /nfs/dbraw/zinc/82/82/29/949828229.db2.gz BEOQTUCHZCCJED-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccncc1 ZINC001574483516 949828243 /nfs/dbraw/zinc/82/82/43/949828243.db2.gz BEOQTUCHZCCJED-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573823488 949834341 /nfs/dbraw/zinc/83/43/41/949834341.db2.gz XSAYUOZPXWRSKS-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573823488 949834366 /nfs/dbraw/zinc/83/43/66/949834366.db2.gz XSAYUOZPXWRSKS-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574966108 949838685 /nfs/dbraw/zinc/83/86/85/949838685.db2.gz USJHJHQLCWHVLS-LURJTMIESA-N -1 1 382.310 0.051 20 0 GCADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575563406 949839070 /nfs/dbraw/zinc/83/90/70/949839070.db2.gz KIGDLBIQEKPMFH-OLZOCXBDSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282961 949846809 /nfs/dbraw/zinc/84/68/09/949846809.db2.gz CXDFEFTZHLIWCH-CHWSQXEVSA-N -1 1 381.444 0.520 20 0 GCADMM CC(C)(C)C1CC(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573823896 949847800 /nfs/dbraw/zinc/84/78/00/949847800.db2.gz AWFMGIHLNYUAGQ-UHFFFAOYSA-N -1 1 376.421 0.253 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722930 949850209 /nfs/dbraw/zinc/85/02/09/949850209.db2.gz YKNLWBOUHLZMDP-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722930 949850244 /nfs/dbraw/zinc/85/02/44/949850244.db2.gz YKNLWBOUHLZMDP-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722927 949850876 /nfs/dbraw/zinc/85/08/76/949850876.db2.gz YIEHCCARVGLGIF-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722927 949850897 /nfs/dbraw/zinc/85/08/97/949850897.db2.gz YIEHCCARVGLGIF-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3ccc(-c4nnn[n-]4)nn3)(C1)C2 ZINC001573824935 949855664 /nfs/dbraw/zinc/85/56/64/949855664.db2.gz IFZLBOKGPZMIJW-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3ccc(-c4nn[n-]n4)nn3)(C1)C2 ZINC001573824935 949855680 /nfs/dbraw/zinc/85/56/80/949855680.db2.gz IFZLBOKGPZMIJW-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3nccnc3-c3nnn[n-]3)(C1)C2 ZINC001573825160 949863020 /nfs/dbraw/zinc/86/30/20/949863020.db2.gz LHCFCJIHIAMCDX-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3nccnc3-c3nn[n-]n3)(C1)C2 ZINC001573825160 949863038 /nfs/dbraw/zinc/86/30/38/949863038.db2.gz LHCFCJIHIAMCDX-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177884 949866134 /nfs/dbraw/zinc/86/61/34/949866134.db2.gz CWWJTCLAPMCUFA-KOLCDFICSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574484203 949867388 /nfs/dbraw/zinc/86/73/88/949867388.db2.gz FHZRPWKDEBABNX-QWHCGFSZSA-N -1 1 382.432 0.329 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3cncc(-c4nnn[n-]4)n3)(C1)C2 ZINC001573825244 949867678 /nfs/dbraw/zinc/86/76/78/949867678.db2.gz ODKSRPAXBRZWDA-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3cncc(-c4nn[n-]n4)n3)(C1)C2 ZINC001573825244 949867698 /nfs/dbraw/zinc/86/76/98/949867698.db2.gz ODKSRPAXBRZWDA-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574484229 949869152 /nfs/dbraw/zinc/86/91/52/949869152.db2.gz FXTFOJCJUMABIW-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574484229 949869173 /nfs/dbraw/zinc/86/91/73/949869173.db2.gz FXTFOJCJUMABIW-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575565294 949877444 /nfs/dbraw/zinc/87/74/44/949877444.db2.gz VNQBWNURIHELGD-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575565294 949877470 /nfs/dbraw/zinc/87/74/70/949877470.db2.gz VNQBWNURIHELGD-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)n21 ZINC001576178193 949881212 /nfs/dbraw/zinc/88/12/12/949881212.db2.gz GCRYHMBQILWYHC-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)n21 ZINC001576178193 949881244 /nfs/dbraw/zinc/88/12/44/949881244.db2.gz GCRYHMBQILWYHC-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3nccnc3-c3nnn[n-]3)(C1)C2 ZINC001573825474 949883099 /nfs/dbraw/zinc/88/30/99/949883099.db2.gz XBHRIDMYOPTXHU-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3nccnc3-c3nn[n-]n3)(C1)C2 ZINC001573825474 949883117 /nfs/dbraw/zinc/88/31/17/949883117.db2.gz XBHRIDMYOPTXHU-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178197 949883211 /nfs/dbraw/zinc/88/32/11/949883211.db2.gz GEWDHEWROWNBHQ-MWLCHTKSSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178197 949883234 /nfs/dbraw/zinc/88/32/34/949883234.db2.gz GEWDHEWROWNBHQ-MWLCHTKSSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283904 949883746 /nfs/dbraw/zinc/88/37/46/949883746.db2.gz QZRRWWROIQJDIA-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283904 949883769 /nfs/dbraw/zinc/88/37/69/949883769.db2.gz QZRRWWROIQJDIA-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575565368 949884252 /nfs/dbraw/zinc/88/42/52/949884252.db2.gz VZEOLVAEMBOQJA-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575565368 949884276 /nfs/dbraw/zinc/88/42/76/949884276.db2.gz VZEOLVAEMBOQJA-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283902 949886997 /nfs/dbraw/zinc/88/69/97/949886997.db2.gz QZRRWWROIQJDIA-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283902 949887011 /nfs/dbraw/zinc/88/70/11/949887011.db2.gz QZRRWWROIQJDIA-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178516 949891746 /nfs/dbraw/zinc/89/17/46/949891746.db2.gz BWOFRHYHXBVJLV-CABZTGNLSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178516 949891759 /nfs/dbraw/zinc/89/17/59/949891759.db2.gz BWOFRHYHXBVJLV-CABZTGNLSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178513 949892645 /nfs/dbraw/zinc/89/26/45/949892645.db2.gz BWOFRHYHXBVJLV-BXKDBHETSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178513 949892665 /nfs/dbraw/zinc/89/26/65/949892665.db2.gz BWOFRHYHXBVJLV-BXKDBHETSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284204 949897527 /nfs/dbraw/zinc/89/75/27/949897527.db2.gz IEKBXISIFQNNAR-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284204 949897549 /nfs/dbraw/zinc/89/75/49/949897549.db2.gz IEKBXISIFQNNAR-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001576178848 949900373 /nfs/dbraw/zinc/90/03/73/949900373.db2.gz CXECAASOYFDRFW-SKDRFNHKSA-N -1 1 386.420 0.049 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)CCOC1 ZINC001575569141 949906924 /nfs/dbraw/zinc/90/69/24/949906924.db2.gz GSUFMCLGJGLYER-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179003 949909709 /nfs/dbraw/zinc/90/97/09/949909709.db2.gz DIEPFBRLXUBPQY-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179003 949909722 /nfs/dbraw/zinc/90/97/22/949909722.db2.gz DIEPFBRLXUBPQY-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574144517 949910692 /nfs/dbraw/zinc/91/06/92/949910692.db2.gz OIXKXBTXIAJTGO-KBPBESRZSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574484926 949911557 /nfs/dbraw/zinc/91/15/57/949911557.db2.gz RXXPDLGWMUUWAD-STQMWFEESA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576179350 949913196 /nfs/dbraw/zinc/91/31/96/949913196.db2.gz FPFJPNGULKHUQR-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576179350 949913215 /nfs/dbraw/zinc/91/32/15/949913215.db2.gz FPFJPNGULKHUQR-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574725879 949914564 /nfs/dbraw/zinc/91/45/64/949914564.db2.gz CVYAERGFYVNUSN-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574725879 949914587 /nfs/dbraw/zinc/91/45/87/949914587.db2.gz CVYAERGFYVNUSN-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001574485279 949924484 /nfs/dbraw/zinc/92/44/84/949924484.db2.gz WLADYNSDFUUCRM-UKRRQHHQSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001574485279 949924506 /nfs/dbraw/zinc/92/45/06/949924506.db2.gz WLADYNSDFUUCRM-UKRRQHHQSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001574485691 949927626 /nfs/dbraw/zinc/92/76/26/949927626.db2.gz YWBHNGOMQSVFQN-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574485691 949927647 /nfs/dbraw/zinc/92/76/47/949927647.db2.gz YWBHNGOMQSVFQN-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179850 949930078 /nfs/dbraw/zinc/93/00/78/949930078.db2.gz MFZDZOBJMXIZAH-JOYOIKCWSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179850 949930094 /nfs/dbraw/zinc/93/00/94/949930094.db2.gz MFZDZOBJMXIZAH-JOYOIKCWSA-N -1 1 386.395 0.872 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@H]2O)CC1 ZINC001575569784 949930489 /nfs/dbraw/zinc/93/04/89/949930489.db2.gz NWAPUFYWVREITG-YUMQZZPRSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]2O)CC1 ZINC001575569780 949931212 /nfs/dbraw/zinc/93/12/12/949931212.db2.gz NWAPUFYWVREITG-JGVFFNPUSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180072 949934662 /nfs/dbraw/zinc/93/46/62/949934662.db2.gz HDAHPHWWOBSYTH-VXGBXAGGSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180072 949934675 /nfs/dbraw/zinc/93/46/75/949934675.db2.gz HDAHPHWWOBSYTH-VXGBXAGGSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575285297 949940162 /nfs/dbraw/zinc/94/01/62/949940162.db2.gz MMXMDOZGPXSDGT-NEPJUHHUSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575285297 949940183 /nfs/dbraw/zinc/94/01/83/949940183.db2.gz MMXMDOZGPXSDGT-NEPJUHHUSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726830 949944803 /nfs/dbraw/zinc/94/48/03/949944803.db2.gz LRIJEWZTXISEBP-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726830 949944823 /nfs/dbraw/zinc/94/48/23/949944823.db2.gz LRIJEWZTXISEBP-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574488450 949951388 /nfs/dbraw/zinc/95/13/88/949951388.db2.gz GIKGHTMZZIOOKV-RDBSUJKOSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574488450 949951403 /nfs/dbraw/zinc/95/14/03/949951403.db2.gz GIKGHTMZZIOOKV-RDBSUJKOSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574488441 949952862 /nfs/dbraw/zinc/95/28/62/949952862.db2.gz GFRADVRQLVGJDK-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574488441 949952884 /nfs/dbraw/zinc/95/28/84/949952884.db2.gz GFRADVRQLVGJDK-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CCCCC1 ZINC001575571239 949956003 /nfs/dbraw/zinc/95/60/03/949956003.db2.gz ZDUVWTLHCFUWOE-JSGCOSHPSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CCCCC1 ZINC001575571239 949956021 /nfs/dbraw/zinc/95/60/21/949956021.db2.gz ZDUVWTLHCFUWOE-JSGCOSHPSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180510 949961629 /nfs/dbraw/zinc/96/16/29/949961629.db2.gz DTFUXFADBWCFCH-RYUDHWBXSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180510 949961646 /nfs/dbraw/zinc/96/16/46/949961646.db2.gz DTFUXFADBWCFCH-RYUDHWBXSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285837 949961862 /nfs/dbraw/zinc/96/18/62/949961862.db2.gz RJIKGASIUTVSHJ-NWDGAFQWSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285837 949961884 /nfs/dbraw/zinc/96/18/84/949961884.db2.gz RJIKGASIUTVSHJ-NWDGAFQWSA-N -1 1 383.416 0.214 20 0 GCADMM CC(C)(C)[C@@H]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001573829532 949962923 /nfs/dbraw/zinc/96/29/23/949962923.db2.gz ZYSHAHGKMCVNOM-LBPRGKRZSA-N -1 1 391.432 0.183 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180587 949965842 /nfs/dbraw/zinc/96/58/42/949965842.db2.gz PCVQOWWEYWLRDK-NEPJUHHUSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180587 949965861 /nfs/dbraw/zinc/96/58/61/949965861.db2.gz PCVQOWWEYWLRDK-NEPJUHHUSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890767 949965970 /nfs/dbraw/zinc/96/59/70/949965970.db2.gz ZNTZZCGHSHDFSN-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890767 949965993 /nfs/dbraw/zinc/96/59/93/949965993.db2.gz ZNTZZCGHSHDFSN-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180599 949966370 /nfs/dbraw/zinc/96/63/70/949966370.db2.gz FLHLQCMBKAPNFB-NWDGAFQWSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180599 949966386 /nfs/dbraw/zinc/96/63/86/949966386.db2.gz FLHLQCMBKAPNFB-NWDGAFQWSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180591 949967347 /nfs/dbraw/zinc/96/73/47/949967347.db2.gz PCVQOWWEYWLRDK-NWDGAFQWSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180591 949967367 /nfs/dbraw/zinc/96/73/67/949967367.db2.gz PCVQOWWEYWLRDK-NWDGAFQWSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180882 949974062 /nfs/dbraw/zinc/97/40/62/949974062.db2.gz KBJBJCLMXVQPJA-CMPLNLGQSA-N -1 1 384.404 0.205 20 0 GCADMM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1n[nH]cc1I)C2 ZINC001595280336 949974890 /nfs/dbraw/zinc/97/48/90/949974890.db2.gz XUNSPGNZFGZQRZ-KGFZYKRKSA-N -1 1 377.138 0.188 20 0 GCADMM CC(C)(C)CC(=O)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573831014 949987302 /nfs/dbraw/zinc/98/73/02/949987302.db2.gz QUPIZFKPPCUXDH-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181204 949989998 /nfs/dbraw/zinc/98/99/98/949989998.db2.gz KOSRECPKCCLVCU-ZWNOBZJWSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181204 949990026 /nfs/dbraw/zinc/99/00/26/949990026.db2.gz KOSRECPKCCLVCU-ZWNOBZJWSA-N -1 1 383.420 0.138 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001573831340 949992323 /nfs/dbraw/zinc/99/23/23/949992323.db2.gz VMDHFWXPSGKOOX-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001573831340 949992343 /nfs/dbraw/zinc/99/23/43/949992343.db2.gz VMDHFWXPSGKOOX-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181231 949993588 /nfs/dbraw/zinc/99/35/88/949993588.db2.gz KYXUEGPUTOQECS-MFKMUULPSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181231 949993607 /nfs/dbraw/zinc/99/36/07/949993607.db2.gz KYXUEGPUTOQECS-MFKMUULPSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181333 949997962 /nfs/dbraw/zinc/99/79/62/949997962.db2.gz LTTWYBXPYAPWMQ-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181333 949997983 /nfs/dbraw/zinc/99/79/83/949997983.db2.gz LTTWYBXPYAPWMQ-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574490510 950001381 /nfs/dbraw/zinc/00/13/81/950001381.db2.gz TXRAZVQTIRBBHW-JHJVBQTASA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574490510 950001399 /nfs/dbraw/zinc/00/13/99/950001399.db2.gz TXRAZVQTIRBBHW-JHJVBQTASA-N -1 1 382.432 0.763 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575289666 950002153 /nfs/dbraw/zinc/00/21/53/950002153.db2.gz BFPDDFLKTDAYOK-RYUDHWBXSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575289666 950002173 /nfs/dbraw/zinc/00/21/73/950002173.db2.gz BFPDDFLKTDAYOK-RYUDHWBXSA-N -1 1 384.448 0.982 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](CO)Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001575574527 950023514 /nfs/dbraw/zinc/02/35/14/950023514.db2.gz VVADLQQJOZXZFU-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574491416 950035691 /nfs/dbraw/zinc/03/56/91/950035691.db2.gz COJLZEMLZCQJPQ-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574491416 950035717 /nfs/dbraw/zinc/03/57/17/950035717.db2.gz COJLZEMLZCQJPQ-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182198 950040078 /nfs/dbraw/zinc/04/00/78/950040078.db2.gz NNZORLRCUKLTJI-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182198 950040097 /nfs/dbraw/zinc/04/00/97/950040097.db2.gz NNZORLRCUKLTJI-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574731446 950047999 /nfs/dbraw/zinc/04/79/99/950047999.db2.gz DZIVYBQOYZGQPW-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574731446 950048016 /nfs/dbraw/zinc/04/80/16/950048016.db2.gz DZIVYBQOYZGQPW-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cncn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574731444 950049554 /nfs/dbraw/zinc/04/95/54/950049554.db2.gz DZIVYBQOYZGQPW-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cncn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574731444 950049576 /nfs/dbraw/zinc/04/95/76/950049576.db2.gz DZIVYBQOYZGQPW-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573835378 950053117 /nfs/dbraw/zinc/05/31/17/950053117.db2.gz WGIYOSBQKXECHA-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573835378 950053139 /nfs/dbraw/zinc/05/31/39/950053139.db2.gz WGIYOSBQKXECHA-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892209 950060670 /nfs/dbraw/zinc/06/06/70/950060670.db2.gz UKADWKSLSJFDLI-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892209 950060693 /nfs/dbraw/zinc/06/06/93/950060693.db2.gz UKADWKSLSJFDLI-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573835743 950063649 /nfs/dbraw/zinc/06/36/49/950063649.db2.gz BGRGAMCJHUCBHC-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573835743 950063673 /nfs/dbraw/zinc/06/36/73/950063673.db2.gz BGRGAMCJHUCBHC-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182859 950065760 /nfs/dbraw/zinc/06/57/60/950065760.db2.gz NQFNLVHMCSRWRV-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182859 950065778 /nfs/dbraw/zinc/06/57/78/950065778.db2.gz NQFNLVHMCSRWRV-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574492162 950067896 /nfs/dbraw/zinc/06/78/96/950067896.db2.gz KAFTVTQQIISMMV-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574492162 950067914 /nfs/dbraw/zinc/06/79/14/950067914.db2.gz KAFTVTQQIISMMV-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574732530 950072806 /nfs/dbraw/zinc/07/28/06/950072806.db2.gz JKNWUOKYYLUYAS-NEPJUHHUSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574732530 950072834 /nfs/dbraw/zinc/07/28/34/950072834.db2.gz JKNWUOKYYLUYAS-NEPJUHHUSA-N -1 1 387.448 0.315 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001574492327 950075006 /nfs/dbraw/zinc/07/50/06/950075006.db2.gz AJHKKINFSHVRDK-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574492327 950075033 /nfs/dbraw/zinc/07/50/33/950075033.db2.gz AJHKKINFSHVRDK-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732795 950076891 /nfs/dbraw/zinc/07/68/91/950076891.db2.gz KUHDQCRNFPTAHG-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574492440 950082476 /nfs/dbraw/zinc/08/24/76/950082476.db2.gz MURMWPKOQKMLLL-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574492440 950082492 /nfs/dbraw/zinc/08/24/92/950082492.db2.gz MURMWPKOQKMLLL-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)CCNC(=O)C1 ZINC001575582115 950099525 /nfs/dbraw/zinc/09/95/25/950099525.db2.gz FNZFCHBNRVTXBG-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)CCNC(=O)C1 ZINC001575582115 950099546 /nfs/dbraw/zinc/09/95/46/950099546.db2.gz FNZFCHBNRVTXBG-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733223 950101147 /nfs/dbraw/zinc/10/11/47/950101147.db2.gz WBEPYNYQXHJMCF-YPMHNXCESA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733223 950101163 /nfs/dbraw/zinc/10/11/63/950101163.db2.gz WBEPYNYQXHJMCF-YPMHNXCESA-N -1 1 387.448 0.315 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183840 950106414 /nfs/dbraw/zinc/10/64/14/950106414.db2.gz RNGPJSPPGMOJKX-CHWSQXEVSA-N -1 1 381.444 0.546 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493050 950114251 /nfs/dbraw/zinc/11/42/51/950114251.db2.gz QZTBYAQMBDOCCS-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493050 950114270 /nfs/dbraw/zinc/11/42/70/950114270.db2.gz QZTBYAQMBDOCCS-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574493039 950115211 /nfs/dbraw/zinc/11/52/11/950115211.db2.gz QVSFOEFSBGTFBL-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574493039 950115219 /nfs/dbraw/zinc/11/52/19/950115219.db2.gz QVSFOEFSBGTFBL-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184062 950115453 /nfs/dbraw/zinc/11/54/53/950115453.db2.gz SNEQVEOXQMFSDH-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184062 950115467 /nfs/dbraw/zinc/11/54/67/950115467.db2.gz SNEQVEOXQMFSDH-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184384 950130321 /nfs/dbraw/zinc/13/03/21/950130321.db2.gz VGUHEEBPJODASR-NWDGAFQWSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184384 950130337 /nfs/dbraw/zinc/13/03/37/950130337.db2.gz VGUHEEBPJODASR-NWDGAFQWSA-N -1 1 386.416 0.441 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575582942 950133730 /nfs/dbraw/zinc/13/37/30/950133730.db2.gz IWSQMQFVODAEOA-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575582942 950133744 /nfs/dbraw/zinc/13/37/44/950133744.db2.gz IWSQMQFVODAEOA-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CC(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574493625 950135317 /nfs/dbraw/zinc/13/53/17/950135317.db2.gz VBDYBHNGGPDBBZ-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574493625 950135325 /nfs/dbraw/zinc/13/53/25/950135325.db2.gz VBDYBHNGGPDBBZ-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734719 950141210 /nfs/dbraw/zinc/14/12/10/950141210.db2.gz OXKGQEXEKWMISY-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734719 950141232 /nfs/dbraw/zinc/14/12/32/950141232.db2.gz OXKGQEXEKWMISY-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCOCC1 ZINC001575583164 950141544 /nfs/dbraw/zinc/14/15/44/950141544.db2.gz KFHCHXVVZRNLOJ-XYYAHUGASA-N -1 1 384.444 0.272 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCOCC1 ZINC001575583164 950141560 /nfs/dbraw/zinc/14/15/60/950141560.db2.gz KFHCHXVVZRNLOJ-XYYAHUGASA-N -1 1 384.444 0.272 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574493993 950147128 /nfs/dbraw/zinc/14/71/28/950147128.db2.gz WHTJFIKNMUWAIL-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574493993 950147139 /nfs/dbraw/zinc/14/71/39/950147139.db2.gz WHTJFIKNMUWAIL-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575583588 950147805 /nfs/dbraw/zinc/14/78/05/950147805.db2.gz MHXGQJNZXSAONN-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575583588 950147820 /nfs/dbraw/zinc/14/78/20/950147820.db2.gz MHXGQJNZXSAONN-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574494120 950152361 /nfs/dbraw/zinc/15/23/61/950152361.db2.gz WWIAVXNEJXZYPG-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574494120 950152371 /nfs/dbraw/zinc/15/23/71/950152371.db2.gz WWIAVXNEJXZYPG-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575898407 950154598 /nfs/dbraw/zinc/15/45/98/950154598.db2.gz SCSNUGZMVJSVGP-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576185050 950156541 /nfs/dbraw/zinc/15/65/41/950156541.db2.gz ZBEJWHWFUYLQCP-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576185050 950156550 /nfs/dbraw/zinc/15/65/50/950156550.db2.gz ZBEJWHWFUYLQCP-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574735041 950159275 /nfs/dbraw/zinc/15/92/75/950159275.db2.gz XYYMSICJCLFVRQ-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574735041 950159281 /nfs/dbraw/zinc/15/92/81/950159281.db2.gz XYYMSICJCLFVRQ-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cncn1C ZINC001574154053 950162019 /nfs/dbraw/zinc/16/20/19/950162019.db2.gz AADZSSXWMCCJNF-LBPRGKRZSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCCC2)CCCOC1 ZINC001575584095 950162966 /nfs/dbraw/zinc/16/29/66/950162966.db2.gz VLTCPURZPUFLCT-QGZVFWFLSA-N -1 1 386.460 0.736 20 0 GCADMM CC(C)(C)CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(N)=O ZINC001573843244 950169430 /nfs/dbraw/zinc/16/94/30/950169430.db2.gz STBJZSVFYXTALT-NSHDSACASA-N -1 1 384.437 0.964 20 0 GCADMM CC(C)(C)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(N)=O ZINC001573843243 950170152 /nfs/dbraw/zinc/17/01/52/950170152.db2.gz STBJZSVFYXTALT-LLVKDONJSA-N -1 1 384.437 0.964 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)CCNC(=O)C1 ZINC001575584567 950173730 /nfs/dbraw/zinc/17/37/30/950173730.db2.gz XSCKBMYFHOMTRN-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)CCNC(=O)C1 ZINC001575584567 950173742 /nfs/dbraw/zinc/17/37/42/950173742.db2.gz XSCKBMYFHOMTRN-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cccn1 ZINC001574155009 950182673 /nfs/dbraw/zinc/18/26/73/950182673.db2.gz HVKNMCNYEOMNAW-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cccn1 ZINC001574155009 950182687 /nfs/dbraw/zinc/18/26/87/950182687.db2.gz HVKNMCNYEOMNAW-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191079 950184540 /nfs/dbraw/zinc/18/45/40/950184540.db2.gz DLWCJIAHSZDRLM-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191079 950184554 /nfs/dbraw/zinc/18/45/54/950184554.db2.gz DLWCJIAHSZDRLM-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574494821 950184788 /nfs/dbraw/zinc/18/47/88/950184788.db2.gz OXQALJYDSCHHIB-RISCZKNCSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574494821 950184805 /nfs/dbraw/zinc/18/48/05/950184805.db2.gz OXQALJYDSCHHIB-RISCZKNCSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575585002 950187557 /nfs/dbraw/zinc/18/75/57/950187557.db2.gz VFGPBAGMPPOOGX-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575585002 950187567 /nfs/dbraw/zinc/18/75/67/950187567.db2.gz VFGPBAGMPPOOGX-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191143 950188519 /nfs/dbraw/zinc/18/85/19/950188519.db2.gz DQALDLNOMQXDRR-NWDGAFQWSA-N -1 1 380.416 0.079 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001574494969 950191380 /nfs/dbraw/zinc/19/13/80/950191380.db2.gz QQDZTSUIAGGSKU-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574494969 950191399 /nfs/dbraw/zinc/19/13/99/950191399.db2.gz QQDZTSUIAGGSKU-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574982935 950193532 /nfs/dbraw/zinc/19/35/32/950193532.db2.gz HWPJRWGGHLRYAH-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574982935 950193549 /nfs/dbraw/zinc/19/35/49/950193549.db2.gz HWPJRWGGHLRYAH-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191358 950193860 /nfs/dbraw/zinc/19/38/60/950193860.db2.gz FOFQDDJOYVLIAV-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191358 950193872 /nfs/dbraw/zinc/19/38/72/950193872.db2.gz FOFQDDJOYVLIAV-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575585423 950193859 /nfs/dbraw/zinc/19/38/59/950193859.db2.gz YRGYVWYVUHPADM-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575585423 950193874 /nfs/dbraw/zinc/19/38/74/950193874.db2.gz YRGYVWYVUHPADM-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CO[C@@H]1CCOC1 ZINC001574155506 950198031 /nfs/dbraw/zinc/19/80/31/950198031.db2.gz MLTAOSTVDTUQRQ-CHWSQXEVSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CO[C@@H]1CCOC1 ZINC001574155506 950198051 /nfs/dbraw/zinc/19/80/51/950198051.db2.gz MLTAOSTVDTUQRQ-CHWSQXEVSA-N -1 1 390.448 0.405 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574495178 950198799 /nfs/dbraw/zinc/19/87/99/950198799.db2.gz RKUAFQLEBQVNNZ-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574495178 950198817 /nfs/dbraw/zinc/19/88/17/950198817.db2.gz RKUAFQLEBQVNNZ-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM C[C@]1(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575585536 950199844 /nfs/dbraw/zinc/19/98/44/950199844.db2.gz AHOWBORATQOKHM-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575585536 950199852 /nfs/dbraw/zinc/19/98/52/950199852.db2.gz AHOWBORATQOKHM-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cccnc1 ZINC001574155601 950200296 /nfs/dbraw/zinc/20/02/96/950200296.db2.gz OPIRXOFRGKDAQQ-CQSZACIVSA-N -1 1 381.444 0.659 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574495456 950201776 /nfs/dbraw/zinc/20/17/76/950201776.db2.gz SQFVBPWCFFSMQH-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574495456 950201788 /nfs/dbraw/zinc/20/17/88/950201788.db2.gz SQFVBPWCFFSMQH-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CN1CCCC1=O ZINC001574155639 950202507 /nfs/dbraw/zinc/20/25/07/950202507.db2.gz PJQBAQGBDADILO-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CN1CCCC1=O ZINC001574155639 950202527 /nfs/dbraw/zinc/20/25/27/950202527.db2.gz PJQBAQGBDADILO-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574155678 950207668 /nfs/dbraw/zinc/20/76/68/950207668.db2.gz PZHSRRVBLLQRQJ-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574155678 950207678 /nfs/dbraw/zinc/20/76/78/950207678.db2.gz PZHSRRVBLLQRQJ-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191798 950210544 /nfs/dbraw/zinc/21/05/44/950210544.db2.gz IJAGWQRRIWETKT-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191798 950210563 /nfs/dbraw/zinc/21/05/63/950210563.db2.gz IJAGWQRRIWETKT-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574155956 950217043 /nfs/dbraw/zinc/21/70/43/950217043.db2.gz SHLIGWVDUQLEQM-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574155956 950217061 /nfs/dbraw/zinc/21/70/61/950217061.db2.gz SHLIGWVDUQLEQM-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001574156002 950218837 /nfs/dbraw/zinc/21/88/37/950218837.db2.gz UALPZULRIKFDRZ-MOKVOYLWSA-N -1 1 388.476 0.573 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901214 950226796 /nfs/dbraw/zinc/22/67/96/950226796.db2.gz MMDPIKFETXQLBL-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901214 950226813 /nfs/dbraw/zinc/22/68/13/950226813.db2.gz MMDPIKFETXQLBL-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CNC(=O)c1cnc[nH]c1=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574983683 950232284 /nfs/dbraw/zinc/23/22/84/950232284.db2.gz QPPUKIYXQSNEBI-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H](CNC(=O)c1cnc[nH]c1=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574983683 950232300 /nfs/dbraw/zinc/23/23/00/950232300.db2.gz QPPUKIYXQSNEBI-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)[C@@H]1CCCO1 ZINC001574497724 950238522 /nfs/dbraw/zinc/23/85/22/950238522.db2.gz BSYFYXRAUZRWGJ-OLZOCXBDSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574741228 950240076 /nfs/dbraw/zinc/24/00/76/950240076.db2.gz ILIDPNFKAHTDRH-QMMMGPOBSA-N -1 1 375.343 0.324 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)n1cncn1 ZINC001574157573 950242804 /nfs/dbraw/zinc/24/28/04/950242804.db2.gz DBNQUHBSNMPZOW-NEPJUHHUSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)n1cncn1 ZINC001574157573 950242821 /nfs/dbraw/zinc/24/28/21/950242821.db2.gz DBNQUHBSNMPZOW-NEPJUHHUSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)n1cncn1 ZINC001574157576 950243336 /nfs/dbraw/zinc/24/33/36/950243336.db2.gz DBNQUHBSNMPZOW-VXGBXAGGSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)n1cncn1 ZINC001574157576 950243349 /nfs/dbraw/zinc/24/33/49/950243349.db2.gz DBNQUHBSNMPZOW-VXGBXAGGSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CNC(=O)C1CC1 ZINC001574157593 950246237 /nfs/dbraw/zinc/24/62/37/950246237.db2.gz DRJAPTLLFMLMBS-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CNC(=O)C1CC1 ZINC001574157593 950246256 /nfs/dbraw/zinc/24/62/56/950246256.db2.gz DRJAPTLLFMLMBS-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574157640 950246659 /nfs/dbraw/zinc/24/66/59/950246659.db2.gz FSUORTVPVHJDIS-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574157640 950246678 /nfs/dbraw/zinc/24/66/78/950246678.db2.gz FSUORTVPVHJDIS-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574157639 950247864 /nfs/dbraw/zinc/24/78/64/950247864.db2.gz FSUORTVPVHJDIS-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574157639 950247878 /nfs/dbraw/zinc/24/78/78/950247878.db2.gz FSUORTVPVHJDIS-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192510 950253568 /nfs/dbraw/zinc/25/35/68/950253568.db2.gz OYCBEIVLTXWHCB-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192510 950253582 /nfs/dbraw/zinc/25/35/82/950253582.db2.gz OYCBEIVLTXWHCB-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575902445 950257716 /nfs/dbraw/zinc/25/77/16/950257716.db2.gz UYTZDYJDDKSFKS-BDAKNGLRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575902445 950257737 /nfs/dbraw/zinc/25/77/37/950257737.db2.gz UYTZDYJDDKSFKS-BDAKNGLRSA-N -1 1 387.429 0.606 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)CC(N)=O ZINC001574157862 950258121 /nfs/dbraw/zinc/25/81/21/950258121.db2.gz KFIVDYMELKOTKM-MNOVXSKESA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)CC(N)=O ZINC001574157862 950258137 /nfs/dbraw/zinc/25/81/37/950258137.db2.gz KFIVDYMELKOTKM-MNOVXSKESA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)CC(N)=O ZINC001574157861 950258662 /nfs/dbraw/zinc/25/86/62/950258662.db2.gz KFIVDYMELKOTKM-GHMZBOCLSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)CC(N)=O ZINC001574157861 950258682 /nfs/dbraw/zinc/25/86/82/950258682.db2.gz KFIVDYMELKOTKM-GHMZBOCLSA-N -1 1 375.437 0.111 20 0 GCADMM C[C@@H](CC(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CC1 ZINC001574498137 950260588 /nfs/dbraw/zinc/26/05/88/950260588.db2.gz KIRZZUBAWPLGHM-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CC1 ZINC001574498137 950260606 /nfs/dbraw/zinc/26/06/06/950260606.db2.gz KIRZZUBAWPLGHM-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCC1 ZINC001573849862 950263596 /nfs/dbraw/zinc/26/35/96/950263596.db2.gz DEAPBJOEXKNRAJ-UHFFFAOYSA-N -1 1 382.446 0.830 20 0 GCADMM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CCC1 ZINC001573849862 950263613 /nfs/dbraw/zinc/26/36/13/950263613.db2.gz DEAPBJOEXKNRAJ-UHFFFAOYSA-N -1 1 382.446 0.830 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574157929 950263715 /nfs/dbraw/zinc/26/37/15/950263715.db2.gz LHRFZAOTSRKCQE-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574157929 950263734 /nfs/dbraw/zinc/26/37/34/950263734.db2.gz LHRFZAOTSRKCQE-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192758 950264180 /nfs/dbraw/zinc/26/41/80/950264180.db2.gz QUVGTSHCQJIUDQ-RYUDHWBXSA-N -1 1 380.416 0.079 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192756 950266371 /nfs/dbraw/zinc/26/63/71/950266371.db2.gz QUVGTSHCQJIUDQ-NEPJUHHUSA-N -1 1 380.416 0.079 20 0 GCADMM CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001573850540 950275351 /nfs/dbraw/zinc/27/53/51/950275351.db2.gz KPWAJUILCUCHRA-JTQLQIEISA-N -1 1 386.416 0.779 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574742281 950277588 /nfs/dbraw/zinc/27/75/88/950277588.db2.gz NJVQMALYZGAGPX-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574742281 950277607 /nfs/dbraw/zinc/27/76/07/950277607.db2.gz NJVQMALYZGAGPX-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193204 950286202 /nfs/dbraw/zinc/28/62/02/950286202.db2.gz SLUCIAOXGFBLSL-CRQFQMBKSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193204 950286214 /nfs/dbraw/zinc/28/62/14/950286214.db2.gz SLUCIAOXGFBLSL-CRQFQMBKSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@]1(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)OCCc2ccccc21 ZINC001575592785 950295064 /nfs/dbraw/zinc/29/50/64/950295064.db2.gz KNAKMISRKZGTMR-SFHVURJKSA-N -1 1 380.412 0.673 20 0 GCADMM C[C@]1(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)OCCc2ccccc21 ZINC001575592785 950295085 /nfs/dbraw/zinc/29/50/85/950295085.db2.gz KNAKMISRKZGTMR-SFHVURJKSA-N -1 1 380.412 0.673 20 0 GCADMM C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193502 950299637 /nfs/dbraw/zinc/29/96/37/950299637.db2.gz VODMDJXENMKLKH-MEBFFEOJSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193502 950299655 /nfs/dbraw/zinc/29/96/55/950299655.db2.gz VODMDJXENMKLKH-MEBFFEOJSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574499213 950300592 /nfs/dbraw/zinc/30/05/92/950300592.db2.gz TZIMRYQUFYWIHV-HIFPTAJRSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)n1cccn1 ZINC001574499726 950304778 /nfs/dbraw/zinc/30/47/78/950304778.db2.gz WKBGVIHYYFXCIP-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)n1cccn1 ZINC001574499726 950304793 /nfs/dbraw/zinc/30/47/93/950304793.db2.gz WKBGVIHYYFXCIP-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574499732 950305214 /nfs/dbraw/zinc/30/52/14/950305214.db2.gz WLCOBCVHFNOEEN-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574499732 950305235 /nfs/dbraw/zinc/30/52/35/950305235.db2.gz WLCOBCVHFNOEEN-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](CO)C1 ZINC001573852416 950309691 /nfs/dbraw/zinc/30/96/91/950309691.db2.gz IBUHZKYTAMLGGM-LBPRGKRZSA-N -1 1 389.416 0.316 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](CO)C1 ZINC001573852416 950309715 /nfs/dbraw/zinc/30/97/15/950309715.db2.gz IBUHZKYTAMLGGM-LBPRGKRZSA-N -1 1 389.416 0.316 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193895 950316102 /nfs/dbraw/zinc/31/61/02/950316102.db2.gz VWCDIYQNFMMORW-NXEZZACHSA-N -1 1 386.445 0.140 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193897 950316707 /nfs/dbraw/zinc/31/67/07/950316707.db2.gz VWCDIYQNFMMORW-VHSXEESVSA-N -1 1 386.445 0.140 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCCO2)CCCC1 ZINC001575593517 950317626 /nfs/dbraw/zinc/31/76/26/950317626.db2.gz GXRUIQFOYROSDY-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCCO2)CCCC1 ZINC001575593517 950317648 /nfs/dbraw/zinc/31/76/48/950317648.db2.gz GXRUIQFOYROSDY-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)n1cncn1 ZINC001574159829 950320425 /nfs/dbraw/zinc/32/04/25/950320425.db2.gz KETYPDNAGZKMCG-NEPJUHHUSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)n1cncn1 ZINC001574159829 950320434 /nfs/dbraw/zinc/32/04/34/950320434.db2.gz KETYPDNAGZKMCG-NEPJUHHUSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573853449 950321067 /nfs/dbraw/zinc/32/10/67/950321067.db2.gz PBXWAZPNXGPGHK-MRXNPFEDSA-N -1 1 392.420 0.680 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573853449 950321092 /nfs/dbraw/zinc/32/10/92/950321092.db2.gz PBXWAZPNXGPGHK-MRXNPFEDSA-N -1 1 392.420 0.680 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193951 950322232 /nfs/dbraw/zinc/32/22/32/950322232.db2.gz WSQYQMWZTYIDQC-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193951 950322255 /nfs/dbraw/zinc/32/22/55/950322255.db2.gz WSQYQMWZTYIDQC-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM CC1(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575594541 950336744 /nfs/dbraw/zinc/33/67/44/950336744.db2.gz UULHXUCFSNKAAI-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575594541 950336766 /nfs/dbraw/zinc/33/67/66/950336766.db2.gz UULHXUCFSNKAAI-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](O)C1 ZINC001573854046 950342437 /nfs/dbraw/zinc/34/24/37/950342437.db2.gz XVBCVDNFQGMGOU-GXFFZTMASA-N -1 1 389.416 0.362 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](O)C1 ZINC001573854046 950342456 /nfs/dbraw/zinc/34/24/56/950342456.db2.gz XVBCVDNFQGMGOU-GXFFZTMASA-N -1 1 389.416 0.362 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194449 950342545 /nfs/dbraw/zinc/34/25/45/950342545.db2.gz ZZPJVSVLYMVQMT-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](O)C1 ZINC001573854047 950343282 /nfs/dbraw/zinc/34/32/82/950343282.db2.gz XVBCVDNFQGMGOU-MFKMUULPSA-N -1 1 389.416 0.362 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](O)C1 ZINC001573854047 950343300 /nfs/dbraw/zinc/34/33/00/950343300.db2.gz XVBCVDNFQGMGOU-MFKMUULPSA-N -1 1 389.416 0.362 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(F)cncc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574744119 950345623 /nfs/dbraw/zinc/34/56/23/950345623.db2.gz XBPFEMPPOWOQOX-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(F)cncc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574744119 950345638 /nfs/dbraw/zinc/34/56/38/950345638.db2.gz XBPFEMPPOWOQOX-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574744122 950346168 /nfs/dbraw/zinc/34/61/68/950346168.db2.gz 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950363130 /nfs/dbraw/zinc/36/31/30/950363130.db2.gz VXROKULDMKEHCS-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574161803 950366363 /nfs/dbraw/zinc/36/63/63/950366363.db2.gz XIRSSNRAUGUCHR-VXGBXAGGSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574161803 950366383 /nfs/dbraw/zinc/36/63/83/950366383.db2.gz XIRSSNRAUGUCHR-VXGBXAGGSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574744816 950369350 /nfs/dbraw/zinc/36/93/50/950369350.db2.gz BUPBQIVPVNRMJT-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574744816 950369369 /nfs/dbraw/zinc/36/93/69/950369369.db2.gz BUPBQIVPVNRMJT-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574745158 950373362 /nfs/dbraw/zinc/37/33/62/950373362.db2.gz 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950384652 /nfs/dbraw/zinc/38/46/52/950384652.db2.gz BNNYGYZPTFOWEZ-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)CC1(C(=O)N(CCO)CCNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574162468 950385733 /nfs/dbraw/zinc/38/57/33/950385733.db2.gz BDENVRKZXNYBNL-UHFFFAOYSA-N -1 1 388.476 0.528 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573856577 950389558 /nfs/dbraw/zinc/38/95/58/950389558.db2.gz DRTWFZDKFXLUBH-WDEREUQCSA-N -1 1 378.389 0.417 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573856577 950389577 /nfs/dbraw/zinc/38/95/77/950389577.db2.gz DRTWFZDKFXLUBH-WDEREUQCSA-N -1 1 378.389 0.417 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573856560 950389722 /nfs/dbraw/zinc/38/97/22/950389722.db2.gz CVWIUNDKJSOPIW-INIZCTEOSA-N -1 1 376.421 0.517 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574502832 950390726 /nfs/dbraw/zinc/39/07/26/950390726.db2.gz 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C[C@@H](CC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CC1 ZINC001574503312 950403112 /nfs/dbraw/zinc/40/31/12/950403112.db2.gz UKNLGRCVZQGKQH-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CC1 ZINC001574503312 950403127 /nfs/dbraw/zinc/40/31/27/950403127.db2.gz UKNLGRCVZQGKQH-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574162841 950404374 /nfs/dbraw/zinc/40/43/74/950404374.db2.gz JXYLPNJRCVSJRQ-VXGBXAGGSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574162841 950404400 /nfs/dbraw/zinc/40/44/00/950404400.db2.gz JXYLPNJRCVSJRQ-VXGBXAGGSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573857682 950409319 /nfs/dbraw/zinc/40/93/19/950409319.db2.gz WUHBHWCAYDENHD-LLVKDONJSA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573857682 950409327 /nfs/dbraw/zinc/40/93/27/950409327.db2.gz WUHBHWCAYDENHD-LLVKDONJSA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C)c1N ZINC001574162926 950409595 /nfs/dbraw/zinc/40/95/95/950409595.db2.gz NFVXUKRUXOKUPL-SNVBAGLBSA-N -1 1 385.436 0.229 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C)c1N ZINC001574162926 950409608 /nfs/dbraw/zinc/40/96/08/950409608.db2.gz NFVXUKRUXOKUPL-SNVBAGLBSA-N -1 1 385.436 0.229 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574747512 950411247 /nfs/dbraw/zinc/41/12/47/950411247.db2.gz SZDXIDNUJNEJCS-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574503386 950411451 /nfs/dbraw/zinc/41/14/51/950411451.db2.gz VDUUIPJMXXEZKF-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574503386 950411458 /nfs/dbraw/zinc/41/14/58/950411458.db2.gz VDUUIPJMXXEZKF-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574503498 950412930 /nfs/dbraw/zinc/41/29/30/950412930.db2.gz XKUIRFAADONERA-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CO1 ZINC001573857728 950414096 /nfs/dbraw/zinc/41/40/96/950414096.db2.gz YEDMUZBJWJYUNE-SECBINFHSA-N -1 1 376.377 0.934 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CO1 ZINC001573857728 950414104 /nfs/dbraw/zinc/41/41/04/950414104.db2.gz YEDMUZBJWJYUNE-SECBINFHSA-N -1 1 376.377 0.934 20 0 GCADMM CC(C)(C)OC(=O)NCC1(O)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573860105 950417222 /nfs/dbraw/zinc/41/72/22/950417222.db2.gz FCLLLCYDYKFRIY-UHFFFAOYSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)NCC1(O)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573860105 950417240 /nfs/dbraw/zinc/41/72/40/950417240.db2.gz FCLLLCYDYKFRIY-UHFFFAOYSA-N -1 1 376.421 0.513 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574750543 950429476 /nfs/dbraw/zinc/42/94/76/950429476.db2.gz CJZVPCZHJDNENN-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574750543 950429487 /nfs/dbraw/zinc/42/94/87/950429487.db2.gz CJZVPCZHJDNENN-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911155 950437998 /nfs/dbraw/zinc/43/79/98/950437998.db2.gz DJGUJKSVJQNZCX-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911155 950438014 /nfs/dbraw/zinc/43/80/14/950438014.db2.gz DJGUJKSVJQNZCX-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001573861328 950443582 /nfs/dbraw/zinc/44/35/82/950443582.db2.gz YOXMEWSDDSGHLN-JDNHERCYSA-N -1 1 392.420 0.748 20 0 GCADMM C[C@@H](CCNC(=O)C[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574507092 950445533 /nfs/dbraw/zinc/44/55/33/950445533.db2.gz CHIMCNKDFCFDBU-RYUDHWBXSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@@H](CCNC(=O)C[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574507092 950445547 /nfs/dbraw/zinc/44/55/47/950445547.db2.gz CHIMCNKDFCFDBU-RYUDHWBXSA-N -1 1 384.448 0.891 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2O)CCC1 ZINC001575604948 950450892 /nfs/dbraw/zinc/45/08/92/950450892.db2.gz HDFFGWRCYMJZTM-SFYZADRCSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2O)CCC1 ZINC001575604948 950450910 /nfs/dbraw/zinc/45/09/10/950450910.db2.gz HDFFGWRCYMJZTM-SFYZADRCSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574508119 950467466 /nfs/dbraw/zinc/46/74/66/950467466.db2.gz IPANNBHXKUENCV-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574508119 950467475 /nfs/dbraw/zinc/46/74/75/950467475.db2.gz IPANNBHXKUENCV-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1nccn1C ZINC001575913159 950476704 /nfs/dbraw/zinc/47/67/04/950476704.db2.gz IWSLSFMWQKYVRD-VXGBXAGGSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1nccn1C ZINC001575913159 950476718 /nfs/dbraw/zinc/47/67/18/950476718.db2.gz IWSLSFMWQKYVRD-VXGBXAGGSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574508270 950478910 /nfs/dbraw/zinc/47/89/10/950478910.db2.gz NAUDQYAXMSXNQK-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574508270 950478928 /nfs/dbraw/zinc/47/89/28/950478928.db2.gz NAUDQYAXMSXNQK-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752348 950483112 /nfs/dbraw/zinc/48/31/12/950483112.db2.gz BDQQTSITZKGLIK-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752348 950483120 /nfs/dbraw/zinc/48/31/20/950483120.db2.gz BDQQTSITZKGLIK-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)[C@@H]1CCCO1 ZINC001574508709 950485625 /nfs/dbraw/zinc/48/56/25/950485625.db2.gz MQMYMTIPOJKLQP-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574508949 950492261 /nfs/dbraw/zinc/49/22/61/950492261.db2.gz REWQRVHFCDLLOL-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574508949 950492277 /nfs/dbraw/zinc/49/22/77/950492277.db2.gz REWQRVHFCDLLOL-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)C[C@H]1C[C@@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574167804 950492597 /nfs/dbraw/zinc/49/25/97/950492597.db2.gz JRVKTFMMSUTODK-RYUDHWBXSA-N -1 1 391.432 0.229 20 0 GCADMM CC(C)C[C@@H]1C[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574167805 950494438 /nfs/dbraw/zinc/49/44/38/950494438.db2.gz JRVKTFMMSUTODK-VXGBXAGGSA-N -1 1 391.432 0.229 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573866418 950501968 /nfs/dbraw/zinc/50/19/68/950501968.db2.gz BIKWADVWDPJOBK-LLVKDONJSA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573866418 950501985 /nfs/dbraw/zinc/50/19/85/950501985.db2.gz BIKWADVWDPJOBK-LLVKDONJSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574509507 950513330 /nfs/dbraw/zinc/51/33/30/950513330.db2.gz WFBRPPROYOZWKW-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574509507 950513353 /nfs/dbraw/zinc/51/33/53/950513353.db2.gz WFBRPPROYOZWKW-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573866767 950514007 /nfs/dbraw/zinc/51/40/07/950514007.db2.gz LSNVASLTPCOKKQ-QGZVFWFLSA-N -1 1 390.448 0.237 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573866767 950514030 /nfs/dbraw/zinc/51/40/30/950514030.db2.gz LSNVASLTPCOKKQ-QGZVFWFLSA-N -1 1 390.448 0.237 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574995692 950514353 /nfs/dbraw/zinc/51/43/53/950514353.db2.gz GUPPXPJFDYZFPB-ZETCQYMHSA-N -1 1 378.347 0.217 20 0 GCADMM C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574996011 950519272 /nfs/dbraw/zinc/51/92/72/950519272.db2.gz JOXNRXOCHYJFBE-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574996011 950519289 /nfs/dbraw/zinc/51/92/89/950519289.db2.gz JOXNRXOCHYJFBE-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574995950 950519474 /nfs/dbraw/zinc/51/94/74/950519474.db2.gz IQYAXEAMQSLEMR-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574995950 950519493 /nfs/dbraw/zinc/51/94/93/950519493.db2.gz IQYAXEAMQSLEMR-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573867069 950519479 /nfs/dbraw/zinc/51/94/79/950519479.db2.gz OZFZUQZHNVFRAJ-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573867069 950519502 /nfs/dbraw/zinc/51/95/02/950519502.db2.gz OZFZUQZHNVFRAJ-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CC(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574509658 950521308 /nfs/dbraw/zinc/52/13/08/950521308.db2.gz UTGBDUZWVXYOJF-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](CC(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574509658 950521327 /nfs/dbraw/zinc/52/13/27/950521327.db2.gz UTGBDUZWVXYOJF-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574996088 950523207 /nfs/dbraw/zinc/52/32/07/950523207.db2.gz KQQRLRRMSFPOTR-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574996088 950523222 /nfs/dbraw/zinc/52/32/22/950523222.db2.gz KQQRLRRMSFPOTR-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753397 950524082 /nfs/dbraw/zinc/52/40/82/950524082.db2.gz MIORTQUBANRJQV-LBPRGKRZSA-N -1 1 381.444 0.717 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753434 950526563 /nfs/dbraw/zinc/52/65/63/950526563.db2.gz NKTNKIRXKVPJOE-LLVKDONJSA-N -1 1 380.412 0.681 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573867392 950534095 /nfs/dbraw/zinc/53/40/95/950534095.db2.gz YIGNYDGCTISNRV-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573867392 950534111 /nfs/dbraw/zinc/53/41/11/950534111.db2.gz YIGNYDGCTISNRV-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)nn1C ZINC001574996996 950535176 /nfs/dbraw/zinc/53/51/76/950535176.db2.gz PNWWTPRJFQZLNQ-NSHDSACASA-N -1 1 384.448 0.414 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574997055 950541934 /nfs/dbraw/zinc/54/19/34/950541934.db2.gz QLXSMTQNCQXOFL-JTQLQIEISA-N -1 1 384.448 0.340 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1ccco1 ZINC001574510864 950546717 /nfs/dbraw/zinc/54/67/17/950546717.db2.gz BUNBJQOFLWKSHM-RTXFEEFZSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1ccco1 ZINC001574510864 950546746 /nfs/dbraw/zinc/54/67/46/950546746.db2.gz BUNBJQOFLWKSHM-RTXFEEFZSA-N -1 1 384.400 0.109 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001573868874 950548185 /nfs/dbraw/zinc/54/81/85/950548185.db2.gz GYQDGAAFYSIWHP-XIKOKIGWSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001573868874 950548202 /nfs/dbraw/zinc/54/82/02/950548202.db2.gz GYQDGAAFYSIWHP-XIKOKIGWSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccn1 ZINC001574511103 950551472 /nfs/dbraw/zinc/55/14/72/950551472.db2.gz GECGGLXPBJJRPP-YRGRVCCFSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccn1 ZINC001574511103 950551491 /nfs/dbraw/zinc/55/14/91/950551491.db2.gz GECGGLXPBJJRPP-YRGRVCCFSA-N -1 1 382.432 0.445 20 0 GCADMM CC(C)CCC(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001574171145 950555092 /nfs/dbraw/zinc/55/50/92/950555092.db2.gz OMGNRLTYNMTWFU-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)COc1cccnc1 ZINC001575917192 950558259 /nfs/dbraw/zinc/55/82/59/950558259.db2.gz VBFKUFCYQZOEDF-WCQYABFASA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)COc1cccnc1 ZINC001575917192 950558276 /nfs/dbraw/zinc/55/82/76/950558276.db2.gz VBFKUFCYQZOEDF-WCQYABFASA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)COc1cccnc1 ZINC001575917188 950559043 /nfs/dbraw/zinc/55/90/43/950559043.db2.gz VBFKUFCYQZOEDF-AAEUAGOBSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)COc1cccnc1 ZINC001575917188 950559086 /nfs/dbraw/zinc/55/90/86/950559086.db2.gz VBFKUFCYQZOEDF-AAEUAGOBSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@]1(C(N)=O)CCN(c2nnc(C3CC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001575614904 950561077 /nfs/dbraw/zinc/56/10/77/950561077.db2.gz VCJAPFGGXJXVRB-QGZVFWFLSA-N -1 1 383.416 0.679 20 0 GCADMM C[C@@]1(C(N)=O)CCN(c2nnc(C3CC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001575614904 950561096 /nfs/dbraw/zinc/56/10/96/950561096.db2.gz VCJAPFGGXJXVRB-QGZVFWFLSA-N -1 1 383.416 0.679 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)C1(C)C ZINC001575615569 950565776 /nfs/dbraw/zinc/56/57/76/950565776.db2.gz BIDNBVVDCMBGRG-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)C1(C)C ZINC001575615569 950565790 /nfs/dbraw/zinc/56/57/90/950565790.db2.gz BIDNBVVDCMBGRG-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)OCC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573869494 950566201 /nfs/dbraw/zinc/56/62/01/950566201.db2.gz PSONBHJFSCGAEA-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C)OCC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573869494 950566217 /nfs/dbraw/zinc/56/62/17/950566217.db2.gz PSONBHJFSCGAEA-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573869625 950571162 /nfs/dbraw/zinc/57/11/62/950571162.db2.gz ANQWHCADEWRKLV-ZETCQYMHSA-N -1 1 389.869 0.681 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573869625 950571175 /nfs/dbraw/zinc/57/11/75/950571175.db2.gz ANQWHCADEWRKLV-ZETCQYMHSA-N -1 1 389.869 0.681 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999277 950573386 /nfs/dbraw/zinc/57/33/86/950573386.db2.gz IJIMWGALFRVNKX-MRVPVSSYSA-N -1 1 390.358 0.639 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574999209 950575567 /nfs/dbraw/zinc/57/55/67/950575567.db2.gz GPKRKHHOCJKWAV-SSDOTTSWSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574999209 950575582 /nfs/dbraw/zinc/57/55/82/950575582.db2.gz GPKRKHHOCJKWAV-SSDOTTSWSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccncn1 ZINC001575917567 950579464 /nfs/dbraw/zinc/57/94/64/950579464.db2.gz ZFQXNSKJLGTPLS-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccncn1 ZINC001575917567 950579481 /nfs/dbraw/zinc/57/94/81/950579481.db2.gz ZFQXNSKJLGTPLS-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575918160 950584610 /nfs/dbraw/zinc/58/46/10/950584610.db2.gz ATFMXXLYXDSVGZ-STQMWFEESA-N -1 1 382.432 0.157 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574999501 950585898 /nfs/dbraw/zinc/58/58/98/950585898.db2.gz KUDNILALFGKRIG-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574999501 950585909 /nfs/dbraw/zinc/58/59/09/950585909.db2.gz KUDNILALFGKRIG-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM CC(C)(C)OCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573870183 950586213 /nfs/dbraw/zinc/58/62/13/950586213.db2.gz GDIFHRWSQQKCSE-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C)OCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573870183 950586225 /nfs/dbraw/zinc/58/62/25/950586225.db2.gz GDIFHRWSQQKCSE-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573870356 950590263 /nfs/dbraw/zinc/59/02/63/950590263.db2.gz VMRDTCTZQVIKDZ-NEPJUHHUSA-N -1 1 386.460 0.733 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001575616915 950590536 /nfs/dbraw/zinc/59/05/36/950590536.db2.gz UJOBWYKQDSHAFQ-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001575616915 950590553 /nfs/dbraw/zinc/59/05/53/950590553.db2.gz UJOBWYKQDSHAFQ-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575000099 950596150 /nfs/dbraw/zinc/59/61/50/950596150.db2.gz AHMZIRGMOUNATL-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575000099 950596167 /nfs/dbraw/zinc/59/61/67/950596167.db2.gz AHMZIRGMOUNATL-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575000101 950596296 /nfs/dbraw/zinc/59/62/96/950596296.db2.gz AHMZIRGMOUNATL-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575000101 950596311 /nfs/dbraw/zinc/59/63/11/950596311.db2.gz AHMZIRGMOUNATL-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575000145 950599801 /nfs/dbraw/zinc/59/98/01/950599801.db2.gz AVECVKULFOBKOG-SECBINFHSA-N -1 1 381.400 0.476 20 0 GCADMM C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575000145 950599818 /nfs/dbraw/zinc/59/98/18/950599818.db2.gz AVECVKULFOBKOG-SECBINFHSA-N -1 1 381.400 0.476 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758399 950607235 /nfs/dbraw/zinc/60/72/35/950607235.db2.gz CAPXQKMQQXKPCL-JTQLQIEISA-N -1 1 380.416 0.319 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575000597 950607379 /nfs/dbraw/zinc/60/73/79/950607379.db2.gz QTZVDGJSEBPHLT-MRVPVSSYSA-N -1 1 392.374 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000583 950608114 /nfs/dbraw/zinc/60/81/14/950608114.db2.gz QSYULKOTZUDPKM-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575919358 950608609 /nfs/dbraw/zinc/60/86/09/950608609.db2.gz GZPUWXMYGWSEBP-KOLCDFICSA-N -1 1 387.835 0.786 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001573871068 950608797 /nfs/dbraw/zinc/60/87/97/950608797.db2.gz MVAJVFDSCXVDQP-KRWDZBQOSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001573871068 950608811 /nfs/dbraw/zinc/60/88/11/950608811.db2.gz MVAJVFDSCXVDQP-KRWDZBQOSA-N -1 1 390.448 0.183 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758400 950608908 /nfs/dbraw/zinc/60/89/08/950608908.db2.gz CAPXQKMQQXKPCL-SNVBAGLBSA-N -1 1 380.416 0.319 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575919334 950609515 /nfs/dbraw/zinc/60/95/15/950609515.db2.gz GRARTDMKVYQHPR-MNOVXSKESA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575919334 950609531 /nfs/dbraw/zinc/60/95/31/950609531.db2.gz GRARTDMKVYQHPR-MNOVXSKESA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575000569 950610127 /nfs/dbraw/zinc/61/01/27/950610127.db2.gz QOZHQAFQQKGHRF-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575000569 950610141 /nfs/dbraw/zinc/61/01/41/950610141.db2.gz QOZHQAFQQKGHRF-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575919584 950615413 /nfs/dbraw/zinc/61/54/13/950615413.db2.gz HXIHFDDQGXYAAO-BXUZGUMPSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574515237 950622320 /nfs/dbraw/zinc/62/23/20/950622320.db2.gz CDMSLFMTPLXZAG-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574515237 950622336 /nfs/dbraw/zinc/62/23/36/950622336.db2.gz CDMSLFMTPLXZAG-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575001185 950623261 /nfs/dbraw/zinc/62/32/61/950623261.db2.gz UZWIZLLNZSZAAF-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575001185 950623278 /nfs/dbraw/zinc/62/32/78/950623278.db2.gz UZWIZLLNZSZAAF-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758777 950623542 /nfs/dbraw/zinc/62/35/42/950623542.db2.gz GWAVUKGZHRTSDY-NSHDSACASA-N -1 1 380.412 0.586 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759048 950626477 /nfs/dbraw/zinc/62/64/77/950626477.db2.gz JXTGUBZCLAIUDO-NSHDSACASA-N -1 1 384.448 0.603 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573871827 950626484 /nfs/dbraw/zinc/62/64/84/950626484.db2.gz XKDNEBDDCHXVSS-KRWDZBQOSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573871827 950626495 /nfs/dbraw/zinc/62/64/95/950626495.db2.gz XKDNEBDDCHXVSS-KRWDZBQOSA-N -1 1 390.448 0.183 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575920622 950631237 /nfs/dbraw/zinc/63/12/37/950631237.db2.gz MRVRVKLOZAPZFX-LDYMZIIASA-N -1 1 387.354 0.467 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759219 950631525 /nfs/dbraw/zinc/63/15/25/950631525.db2.gz LYQDNXFESPPUBE-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759219 950631534 /nfs/dbraw/zinc/63/15/34/950631534.db2.gz LYQDNXFESPPUBE-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574516268 950632489 /nfs/dbraw/zinc/63/24/89/950632489.db2.gz GWINCJLSWMCXSS-RAIGVLPGSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574516268 950632501 /nfs/dbraw/zinc/63/25/01/950632501.db2.gz GWINCJLSWMCXSS-RAIGVLPGSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574516429 950636218 /nfs/dbraw/zinc/63/62/18/950636218.db2.gz ITWAYTAOMXXCFF-RTXFEEFZSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574516429 950636229 /nfs/dbraw/zinc/63/62/29/950636229.db2.gz ITWAYTAOMXXCFF-RTXFEEFZSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2nc[nH]c21 ZINC001575921395 950636232 /nfs/dbraw/zinc/63/62/32/950636232.db2.gz NRYJWFGEZSQBKT-PWSUYJOCSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575923285 950653408 /nfs/dbraw/zinc/65/34/08/950653408.db2.gz QFAWABAVSFFVHQ-GXFFZTMASA-N -1 1 383.391 0.257 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575923278 950653554 /nfs/dbraw/zinc/65/35/54/950653554.db2.gz QDJSQWDCWPLNHI-IUCAKERBSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575923278 950653566 /nfs/dbraw/zinc/65/35/66/950653566.db2.gz QDJSQWDCWPLNHI-IUCAKERBSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574518704 950653978 /nfs/dbraw/zinc/65/39/78/950653978.db2.gz PWIBGCYZIWWMPM-JHJVBQTASA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575923222 950653975 /nfs/dbraw/zinc/65/39/75/950653975.db2.gz PTZUQLFVQDMTLE-JOYOIKCWSA-N -1 1 380.416 0.394 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574518703 950654469 /nfs/dbraw/zinc/65/44/69/950654469.db2.gz PWIBGCYZIWWMPM-AVGNSLFASA-N -1 1 382.432 0.233 20 0 GCADMM CC(C)(C)OC[C@H]1CCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573873703 950657613 /nfs/dbraw/zinc/65/76/13/950657613.db2.gz ZBFYSUOGBJMUEH-LLVKDONJSA-N -1 1 391.432 0.325 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575923344 950660910 /nfs/dbraw/zinc/66/09/10/950660910.db2.gz RBISLSIASWXOFR-SCZZXKLOSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575923661 950664438 /nfs/dbraw/zinc/66/44/38/950664438.db2.gz DAIRQPKBCUHPBV-SCZZXKLOSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575923661 950664447 /nfs/dbraw/zinc/66/44/47/950664447.db2.gz DAIRQPKBCUHPBV-SCZZXKLOSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(F)(F)F ZINC001574518905 950664529 /nfs/dbraw/zinc/66/45/29/950664529.db2.gz AFGUPHSSTOTNKH-REIXXSIJSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(F)(F)F ZINC001574518905 950664539 /nfs/dbraw/zinc/66/45/39/950664539.db2.gz AFGUPHSSTOTNKH-REIXXSIJSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574760530 950668478 /nfs/dbraw/zinc/66/84/78/950668478.db2.gz JAUYJIKSEVUNGZ-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574760530 950668492 /nfs/dbraw/zinc/66/84/92/950668492.db2.gz JAUYJIKSEVUNGZ-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001575924357 950670768 /nfs/dbraw/zinc/67/07/68/950670768.db2.gz FFODHTJVMMGXSU-KOLCDFICSA-N -1 1 391.399 0.643 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575924247 950671924 /nfs/dbraw/zinc/67/19/24/950671924.db2.gz RYFXHRAVOADRBY-KOLCDFICSA-N -1 1 378.387 0.915 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575924239 950673404 /nfs/dbraw/zinc/67/34/04/950673404.db2.gz RYFXHRAVOADRBY-GXSJLCMTSA-N -1 1 378.387 0.915 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001576214515 950674281 /nfs/dbraw/zinc/67/42/81/950674281.db2.gz BIHCRPAAXXZESG-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001576214515 950674291 /nfs/dbraw/zinc/67/42/91/950674291.db2.gz BIHCRPAAXXZESG-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC001575924529 950674772 /nfs/dbraw/zinc/67/47/72/950674772.db2.gz SHSRXZCKKVXBPX-JQWIXIFHSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576214680 950678014 /nfs/dbraw/zinc/67/80/14/950678014.db2.gz BPXBZEFWJYBZDR-MEBBXXQBSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576214680 950678025 /nfs/dbraw/zinc/67/80/25/950678025.db2.gz BPXBZEFWJYBZDR-MEBBXXQBSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575005340 950680028 /nfs/dbraw/zinc/68/00/28/950680028.db2.gz BJHJZIWMJDCIJS-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575005340 950680046 /nfs/dbraw/zinc/68/00/46/950680046.db2.gz BJHJZIWMJDCIJS-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576214679 950680864 /nfs/dbraw/zinc/68/08/64/950680864.db2.gz BPXBZEFWJYBZDR-BONVTDFDSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576214679 950680877 /nfs/dbraw/zinc/68/08/77/950680877.db2.gz BPXBZEFWJYBZDR-BONVTDFDSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575005393 950681230 /nfs/dbraw/zinc/68/12/30/950681230.db2.gz CUUYSTGVKXKYLO-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575005393 950681242 /nfs/dbraw/zinc/68/12/42/950681242.db2.gz CUUYSTGVKXKYLO-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576214835 950682197 /nfs/dbraw/zinc/68/21/97/950682197.db2.gz CPQGOCSJBYUWQC-HZMBPMFUSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575005484 950685324 /nfs/dbraw/zinc/68/53/24/950685324.db2.gz GBNOMAGNDFCRBQ-SECBINFHSA-N -1 1 381.375 0.929 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccn1 ZINC001574519553 950686011 /nfs/dbraw/zinc/68/60/11/950686011.db2.gz FYEMQXHUSUZCRY-PVTKRXDGSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccn1 ZINC001574519553 950686029 /nfs/dbraw/zinc/68/60/29/950686029.db2.gz FYEMQXHUSUZCRY-PVTKRXDGSA-N -1 1 380.416 0.055 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573877517 950691424 /nfs/dbraw/zinc/69/14/24/950691424.db2.gz DLCTYWMFIXTRDO-ZIAGYGMSSA-N -1 1 399.503 0.577 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576215233 950691892 /nfs/dbraw/zinc/69/18/92/950691892.db2.gz DVNOLTIMMOWQBP-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576215233 950691908 /nfs/dbraw/zinc/69/19/08/950691908.db2.gz DVNOLTIMMOWQBP-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@H]1CCCO1 ZINC001574519739 950693087 /nfs/dbraw/zinc/69/30/87/950693087.db2.gz HVNKZUIRQBMCHR-RLPMIEJPSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@H]1CCCO1 ZINC001574519739 950693108 /nfs/dbraw/zinc/69/31/08/950693108.db2.gz HVNKZUIRQBMCHR-RLPMIEJPSA-N -1 1 384.444 0.413 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573877805 950695369 /nfs/dbraw/zinc/69/53/69/950695369.db2.gz GYDIXEAIBTUEHH-FMTVUPSXSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573877805 950695392 /nfs/dbraw/zinc/69/53/92/950695392.db2.gz GYDIXEAIBTUEHH-FMTVUPSXSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574761183 950695782 /nfs/dbraw/zinc/69/57/82/950695782.db2.gz SCYBBAWJSIOKJC-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574761183 950695794 /nfs/dbraw/zinc/69/57/94/950695794.db2.gz SCYBBAWJSIOKJC-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](CO)Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575625668 950697248 /nfs/dbraw/zinc/69/72/48/950697248.db2.gz UOQVKJGPSBKPPD-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](CO)Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575625668 950697262 /nfs/dbraw/zinc/69/72/62/950697262.db2.gz UOQVKJGPSBKPPD-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575005708 950698907 /nfs/dbraw/zinc/69/89/07/950698907.db2.gz LKIQJFPMYJDFNC-GFCCVEGCSA-N -1 1 381.444 0.694 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001574519853 950699296 /nfs/dbraw/zinc/69/92/96/950699296.db2.gz IXIZDOHOXWIBHP-NMKXLXIOSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001574519853 950699316 /nfs/dbraw/zinc/69/93/16/950699316.db2.gz IXIZDOHOXWIBHP-NMKXLXIOSA-N -1 1 380.416 0.055 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573878210 950700109 /nfs/dbraw/zinc/70/01/09/950700109.db2.gz KVDDLIWDCFMONY-SEDUGSJDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573878210 950700123 /nfs/dbraw/zinc/70/01/23/950700123.db2.gz KVDDLIWDCFMONY-SEDUGSJDSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575926224 950703672 /nfs/dbraw/zinc/70/36/72/950703672.db2.gz WPDWKYQAXPAPPD-QWHCGFSZSA-N -1 1 382.432 0.157 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573878370 950704477 /nfs/dbraw/zinc/70/44/77/950704477.db2.gz OANXXRHWLGRIRI-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574762646 950707594 /nfs/dbraw/zinc/70/75/94/950707594.db2.gz ZYAKYEYLPCKRLP-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574762646 950707604 /nfs/dbraw/zinc/70/76/04/950707604.db2.gz ZYAKYEYLPCKRLP-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575926444 950709141 /nfs/dbraw/zinc/70/91/41/950709141.db2.gz KBMOQONUJYZGSS-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575926444 950709158 /nfs/dbraw/zinc/70/91/58/950709158.db2.gz KBMOQONUJYZGSS-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575926443 950710163 /nfs/dbraw/zinc/71/01/63/950710163.db2.gz KBMOQONUJYZGSS-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575926443 950710181 /nfs/dbraw/zinc/71/01/81/950710181.db2.gz KBMOQONUJYZGSS-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2nccn2c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763504 950716835 /nfs/dbraw/zinc/71/68/35/950716835.db2.gz CORJAQWTFOXHOM-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2nccn2c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763504 950716838 /nfs/dbraw/zinc/71/68/38/950716838.db2.gz CORJAQWTFOXHOM-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)S(=O)(=O)c1ccc(F)cc1 ZINC001574520275 950721175 /nfs/dbraw/zinc/72/11/75/950721175.db2.gz OUSKZIVIOQOSND-QMMMGPOBSA-N -1 1 379.377 0.920 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575926814 950724196 /nfs/dbraw/zinc/72/41/96/950724196.db2.gz LZKKSGHEHAJPOK-CABZTGNLSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575926814 950724214 /nfs/dbraw/zinc/72/42/14/950724214.db2.gz LZKKSGHEHAJPOK-CABZTGNLSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)[nH]n1 ZINC001573879519 950724405 /nfs/dbraw/zinc/72/44/05/950724405.db2.gz DEAFTZXTAYIFJA-UHFFFAOYSA-N -1 1 382.432 0.474 20 0 GCADMM CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575628563 950725044 /nfs/dbraw/zinc/72/50/44/950725044.db2.gz FOVHXOMXAPYIIF-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575628563 950725055 /nfs/dbraw/zinc/72/50/55/950725055.db2.gz FOVHXOMXAPYIIF-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2ncccc12)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763663 950725879 /nfs/dbraw/zinc/72/58/79/950725879.db2.gz HQRVZLJSNHTFSB-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2ncccc12)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763663 950725896 /nfs/dbraw/zinc/72/58/96/950725896.db2.gz HQRVZLJSNHTFSB-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575006844 950726715 /nfs/dbraw/zinc/72/67/15/950726715.db2.gz WZOPNYXXXHHISE-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575006844 950726729 /nfs/dbraw/zinc/72/67/29/950726729.db2.gz WZOPNYXXXHHISE-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576216304 950727033 /nfs/dbraw/zinc/72/70/33/950727033.db2.gz DGRGEOMIRBIUPA-KPZWWZAWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576216304 950727043 /nfs/dbraw/zinc/72/70/43/950727043.db2.gz DGRGEOMIRBIUPA-KPZWWZAWSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)no1 ZINC001573879722 950728743 /nfs/dbraw/zinc/72/87/43/950728743.db2.gz IZZCZEHSPUAFRA-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)no1 ZINC001573879722 950728750 /nfs/dbraw/zinc/72/87/50/950728750.db2.gz IZZCZEHSPUAFRA-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H](CNC(=O)c1cc2cccn2cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575006925 950729053 /nfs/dbraw/zinc/72/90/53/950729053.db2.gz XZJMXRSHBBCSHP-LLVKDONJSA-N -1 1 378.400 0.204 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763788 950730042 /nfs/dbraw/zinc/73/00/42/950730042.db2.gz KWGYRWFHHQLGOL-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763788 950730060 /nfs/dbraw/zinc/73/00/60/950730060.db2.gz KWGYRWFHHQLGOL-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575927025 950730309 /nfs/dbraw/zinc/73/03/09/950730309.db2.gz ZSAJGPGQOKCKHS-RKDXNWHRSA-N -1 1 390.358 0.385 20 0 GCADMM CC1(C)CC(C(=O)NC2(CO)CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575629084 950731408 /nfs/dbraw/zinc/73/14/08/950731408.db2.gz KWPLNMSIOGDQLN-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001573879782 950731688 /nfs/dbraw/zinc/73/16/88/950731688.db2.gz MLFUDKYAAFLWNS-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216378 950733522 /nfs/dbraw/zinc/73/35/22/950733522.db2.gz INMCDRJFIQYSBZ-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216378 950733535 /nfs/dbraw/zinc/73/35/35/950733535.db2.gz INMCDRJFIQYSBZ-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575629112 950734567 /nfs/dbraw/zinc/73/45/67/950734567.db2.gz LTVPWFCWQXXFJW-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575629112 950734584 /nfs/dbraw/zinc/73/45/84/950734584.db2.gz LTVPWFCWQXXFJW-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574180946 950736118 /nfs/dbraw/zinc/73/61/18/950736118.db2.gz HBHHENPEJZZFDT-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574180946 950736129 /nfs/dbraw/zinc/73/61/29/950736129.db2.gz HBHHENPEJZZFDT-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574180990 950737008 /nfs/dbraw/zinc/73/70/08/950737008.db2.gz IDZDGJXKEHQRGE-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574180990 950737023 /nfs/dbraw/zinc/73/70/23/950737023.db2.gz IDZDGJXKEHQRGE-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574181026 950739208 /nfs/dbraw/zinc/73/92/08/950739208.db2.gz ITGQUMVTPSILHB-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574181026 950739216 /nfs/dbraw/zinc/73/92/16/950739216.db2.gz ITGQUMVTPSILHB-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2nccn2c1 ZINC001575927306 950740620 /nfs/dbraw/zinc/74/06/20/950740620.db2.gz OXXUAKYVFZDPPG-CMPLNLGQSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2nccn2c1 ZINC001575927306 950740636 /nfs/dbraw/zinc/74/06/36/950740636.db2.gz OXXUAKYVFZDPPG-CMPLNLGQSA-N -1 1 391.399 0.415 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574181046 950740989 /nfs/dbraw/zinc/74/09/89/950740989.db2.gz JEZGWBRTXYTMHB-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574181046 950741002 /nfs/dbraw/zinc/74/10/02/950741002.db2.gz JEZGWBRTXYTMHB-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216627 950741099 /nfs/dbraw/zinc/74/10/99/950741099.db2.gz FAIJBVWWWVYEFI-IUCAKERBSA-N -1 1 382.350 0.680 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccc1 ZINC001574520738 950746981 /nfs/dbraw/zinc/74/69/81/950746981.db2.gz XZCJRZFTEZYFNF-APNQJHFZSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccc1 ZINC001574520738 950746993 /nfs/dbraw/zinc/74/69/93/950746993.db2.gz XZCJRZFTEZYFNF-APNQJHFZSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764180 950748013 /nfs/dbraw/zinc/74/80/13/950748013.db2.gz QRCNUMNYYQEREA-LLVKDONJSA-N -1 1 382.432 0.184 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)O1 ZINC001576217038 950750222 /nfs/dbraw/zinc/75/02/22/950750222.db2.gz GHHFOYHGMDICFP-GTNSWQLSSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)O1 ZINC001576217038 950750231 /nfs/dbraw/zinc/75/02/31/950750231.db2.gz GHHFOYHGMDICFP-GTNSWQLSSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217396 950758908 /nfs/dbraw/zinc/75/89/08/950758908.db2.gz NJOOQPKTWAHMKV-UWVGGRQHSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574182786 950766243 /nfs/dbraw/zinc/76/62/43/950766243.db2.gz YSDFFSXMWLDCCS-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574182786 950766250 /nfs/dbraw/zinc/76/62/50/950766250.db2.gz YSDFFSXMWLDCCS-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574182783 950766688 /nfs/dbraw/zinc/76/66/88/950766688.db2.gz YPTYYKSCQCVXGN-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574182783 950766702 /nfs/dbraw/zinc/76/67/02/950766702.db2.gz YPTYYKSCQCVXGN-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)c2C1 ZINC001576217702 950767069 /nfs/dbraw/zinc/76/70/69/950767069.db2.gz NTUMZZGTZVCKEZ-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)c2C1 ZINC001576217702 950767084 /nfs/dbraw/zinc/76/70/84/950767084.db2.gz NTUMZZGTZVCKEZ-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575929303 950780822 /nfs/dbraw/zinc/78/08/22/950780822.db2.gz BPFHVUKTPADMJB-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575929303 950780844 /nfs/dbraw/zinc/78/08/44/950780844.db2.gz BPFHVUKTPADMJB-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3ccnc(-c4nn[n-]n4)n3)c2C1 ZINC001576218335 950786209 /nfs/dbraw/zinc/78/62/09/950786209.db2.gz QVYLMQPQHPLFTJ-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3ccnc(-c4nn[n-]n4)n3)c2C1 ZINC001576218334 950786680 /nfs/dbraw/zinc/78/66/80/950786680.db2.gz QVYLMQPQHPLFTJ-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)C1 ZINC001575632263 950790844 /nfs/dbraw/zinc/79/08/44/950790844.db2.gz FFTMOPRKDSKQNN-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)C1 ZINC001575632263 950790856 /nfs/dbraw/zinc/79/08/56/950790856.db2.gz FFTMOPRKDSKQNN-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218408 950791479 /nfs/dbraw/zinc/79/14/79/950791479.db2.gz RKKLPCQUSBVFBT-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218408 950791487 /nfs/dbraw/zinc/79/14/87/950791487.db2.gz RKKLPCQUSBVFBT-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218411 950791801 /nfs/dbraw/zinc/79/18/01/950791801.db2.gz RKKLPCQUSBVFBT-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218411 950791820 /nfs/dbraw/zinc/79/18/20/950791820.db2.gz RKKLPCQUSBVFBT-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574765525 950793843 /nfs/dbraw/zinc/79/38/43/950793843.db2.gz DIYGKVRFLZTHDH-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574185226 950799996 /nfs/dbraw/zinc/79/99/96/950799996.db2.gz VBCDVWKWIBHCFJ-ZDUSSCGKSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574185226 950800008 /nfs/dbraw/zinc/80/00/08/950800008.db2.gz VBCDVWKWIBHCFJ-ZDUSSCGKSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884693 950801792 /nfs/dbraw/zinc/80/17/92/950801792.db2.gz IVNWRKKMGGGXHP-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576219129 950802889 /nfs/dbraw/zinc/80/28/89/950802889.db2.gz SOQDAQDPHVDUIS-BMIGLBTASA-N -1 1 382.432 0.298 20 0 GCADMM CC(C)(C)c1ccccc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573884615 950803107 /nfs/dbraw/zinc/80/31/07/950803107.db2.gz NTEIJINRVGBFLG-UHFFFAOYSA-N -1 1 383.412 0.857 20 0 GCADMM CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576219174 950804314 /nfs/dbraw/zinc/80/43/14/950804314.db2.gz NOBJPTWDLXSZAP-ZDUSSCGKSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576219174 950804331 /nfs/dbraw/zinc/80/43/31/950804331.db2.gz NOBJPTWDLXSZAP-ZDUSSCGKSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576219136 950804509 /nfs/dbraw/zinc/80/45/09/950804509.db2.gz SOQDAQDPHVDUIS-BONVTDFDSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575931501 950804686 /nfs/dbraw/zinc/80/46/86/950804686.db2.gz IGHQTDXJJPAOLT-MNOVXSKESA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575931501 950804703 /nfs/dbraw/zinc/80/47/03/950804703.db2.gz IGHQTDXJJPAOLT-MNOVXSKESA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575931477 950805277 /nfs/dbraw/zinc/80/52/77/950805277.db2.gz ICIHGWOXKANVFW-RYUDHWBXSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575931477 950805288 /nfs/dbraw/zinc/80/52/88/950805288.db2.gz ICIHGWOXKANVFW-RYUDHWBXSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575931967 950819535 /nfs/dbraw/zinc/81/95/35/950819535.db2.gz KEGMOUCPEGNPNQ-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575931967 950819552 /nfs/dbraw/zinc/81/95/52/950819552.db2.gz KEGMOUCPEGNPNQ-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)C1 ZINC001575633766 950821731 /nfs/dbraw/zinc/82/17/31/950821731.db2.gz WUTCOLCIVIUJMD-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)C1 ZINC001575633766 950821752 /nfs/dbraw/zinc/82/17/52/950821752.db2.gz WUTCOLCIVIUJMD-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576220225 950826109 /nfs/dbraw/zinc/82/61/09/950826109.db2.gz WKJZXPRWGLALIG-VHSXEESVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576220225 950826132 /nfs/dbraw/zinc/82/61/32/950826132.db2.gz WKJZXPRWGLALIG-VHSXEESVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220282 950833102 /nfs/dbraw/zinc/83/31/02/950833102.db2.gz WXTGGLZYIGWYDS-VHSXEESVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220282 950833123 /nfs/dbraw/zinc/83/31/23/950833123.db2.gz WXTGGLZYIGWYDS-VHSXEESVSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001573885870 950836137 /nfs/dbraw/zinc/83/61/37/950836137.db2.gz VZLHBEMYYHTKHQ-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001573885870 950836148 /nfs/dbraw/zinc/83/61/48/950836148.db2.gz VZLHBEMYYHTKHQ-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1nccn1C ZINC001575932845 950836601 /nfs/dbraw/zinc/83/66/01/950836601.db2.gz NHSVAIRKPVNOAQ-NEPJUHHUSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccn1C ZINC001575932845 950836625 /nfs/dbraw/zinc/83/66/25/950836625.db2.gz NHSVAIRKPVNOAQ-NEPJUHHUSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)c2C1 ZINC001576220888 950839430 /nfs/dbraw/zinc/83/94/30/950839430.db2.gz XPNNAODCOAIVSB-SECBINFHSA-N -1 1 384.448 0.725 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c2C1 ZINC001576220888 950839451 /nfs/dbraw/zinc/83/94/51/950839451.db2.gz XPNNAODCOAIVSB-SECBINFHSA-N -1 1 384.448 0.725 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576220899 950841769 /nfs/dbraw/zinc/84/17/69/950841769.db2.gz XPUJURGGGDBQIK-ZWNOBZJWSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576220899 950841788 /nfs/dbraw/zinc/84/17/88/950841788.db2.gz XPUJURGGGDBQIK-ZWNOBZJWSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@H]1CCc2nc(C(=O)N(C)CCNc3ccc(-c4nnn[n-]4)nn3)cn2C1 ZINC001576220957 950841903 /nfs/dbraw/zinc/84/19/03/950841903.db2.gz YFCHQRYUIXRFDN-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCc2nc(C(=O)N(C)CCNc3ccc(-c4nn[n-]n4)nn3)cn2C1 ZINC001576220957 950841925 /nfs/dbraw/zinc/84/19/25/950841925.db2.gz YFCHQRYUIXRFDN-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576220893 950843378 /nfs/dbraw/zinc/84/33/78/950843378.db2.gz XPUJURGGGDBQIK-GWCFXTLKSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576220893 950843393 /nfs/dbraw/zinc/84/33/93/950843393.db2.gz XPUJURGGGDBQIK-GWCFXTLKSA-N -1 1 382.432 0.616 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573887439 950843591 /nfs/dbraw/zinc/84/35/91/950843591.db2.gz ATQNKQJPKNHQKU-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573887439 950843609 /nfs/dbraw/zinc/84/36/09/950843609.db2.gz ATQNKQJPKNHQKU-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573887430 950845227 /nfs/dbraw/zinc/84/52/27/950845227.db2.gz AQVLNIMXAFSNPE-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573887430 950845246 /nfs/dbraw/zinc/84/52/46/950845246.db2.gz AQVLNIMXAFSNPE-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575934193 950849984 /nfs/dbraw/zinc/84/99/84/950849984.db2.gz QQHRBWJMKDEDHO-GXSJLCMTSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575934193 950850009 /nfs/dbraw/zinc/85/00/09/950850009.db2.gz QQHRBWJMKDEDHO-GXSJLCMTSA-N -1 1 380.416 0.584 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573887681 950850472 /nfs/dbraw/zinc/85/04/72/950850472.db2.gz IKJCEVKGVPEPIN-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573887681 950850489 /nfs/dbraw/zinc/85/04/89/950850489.db2.gz IKJCEVKGVPEPIN-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573887693 950855182 /nfs/dbraw/zinc/85/51/82/950855182.db2.gz JAZOHOIMKXDLHQ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573887693 950855201 /nfs/dbraw/zinc/85/52/01/950855201.db2.gz JAZOHOIMKXDLHQ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576221580 950859383 /nfs/dbraw/zinc/85/93/83/950859383.db2.gz VRQHXMHKLICKLO-UWVGGRQHSA-N -1 1 378.387 0.773 20 0 GCADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575934484 950861459 /nfs/dbraw/zinc/86/14/59/950861459.db2.gz RZDBUQIMKRMAIR-NTSWFWBYSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575934484 950861472 /nfs/dbraw/zinc/86/14/72/950861472.db2.gz RZDBUQIMKRMAIR-NTSWFWBYSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575934488 950861794 /nfs/dbraw/zinc/86/17/94/950861794.db2.gz RZDBUQIMKRMAIR-PHDIDXHHSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575934488 950861811 /nfs/dbraw/zinc/86/18/11/950861811.db2.gz RZDBUQIMKRMAIR-PHDIDXHHSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2nonc2c1 ZINC001575934499 950863476 /nfs/dbraw/zinc/86/34/76/950863476.db2.gz SATDBDCOULHWMC-KOLCDFICSA-N -1 1 392.383 0.908 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2nonc2c1 ZINC001575934499 950863492 /nfs/dbraw/zinc/86/34/92/950863492.db2.gz SATDBDCOULHWMC-KOLCDFICSA-N -1 1 392.383 0.908 20 0 GCADMM CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574189179 950864091 /nfs/dbraw/zinc/86/40/91/950864091.db2.gz DRLWWTHJRRPVGV-SFHVURJKSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574189179 950864105 /nfs/dbraw/zinc/86/41/05/950864105.db2.gz DRLWWTHJRRPVGV-SFHVURJKSA-N -1 1 388.476 0.931 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639558 950868985 /nfs/dbraw/zinc/86/89/85/950868985.db2.gz BYZWTDWWHUQKLV-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639558 950869008 /nfs/dbraw/zinc/86/90/08/950869008.db2.gz BYZWTDWWHUQKLV-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCOC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639434 950871162 /nfs/dbraw/zinc/87/11/62/950871162.db2.gz BNDKRWBMVBMYFH-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCOC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639434 950871179 /nfs/dbraw/zinc/87/11/79/950871179.db2.gz BNDKRWBMVBMYFH-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573888719 950873880 /nfs/dbraw/zinc/87/38/80/950873880.db2.gz ZJEIRGYJOVZKIJ-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001576222417 950874412 /nfs/dbraw/zinc/87/44/12/950874412.db2.gz YXFQKZARAZBWGU-RNFRBKRXSA-N -1 1 384.853 0.358 20 0 GCADMM C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576222417 950874431 /nfs/dbraw/zinc/87/44/31/950874431.db2.gz YXFQKZARAZBWGU-RNFRBKRXSA-N -1 1 384.853 0.358 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575935424 950877163 /nfs/dbraw/zinc/87/71/63/950877163.db2.gz WEMLPVBRXXXCLH-ZYHUDNBSSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575935424 950877177 /nfs/dbraw/zinc/87/71/77/950877177.db2.gz WEMLPVBRXXXCLH-ZYHUDNBSSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575935422 950878596 /nfs/dbraw/zinc/87/85/96/950878596.db2.gz WEMLPVBRXXXCLH-JQWIXIFHSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575935422 950878613 /nfs/dbraw/zinc/87/86/13/950878613.db2.gz WEMLPVBRXXXCLH-JQWIXIFHSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768057 950879279 /nfs/dbraw/zinc/87/92/79/950879279.db2.gz XGXVUQSUFXKLDW-JTQLQIEISA-N -1 1 383.416 0.592 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575935471 950881924 /nfs/dbraw/zinc/88/19/24/950881924.db2.gz WXLJYXMNVXJIJC-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575935471 950881943 /nfs/dbraw/zinc/88/19/43/950881943.db2.gz WXLJYXMNVXJIJC-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576226863 950893124 /nfs/dbraw/zinc/89/31/24/950893124.db2.gz CLHUGDHWOZNVAI-KZULUSFZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575935947 950901340 /nfs/dbraw/zinc/90/13/40/950901340.db2.gz CGVZDUDCDIEHDM-IUCAKERBSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575935947 950901359 /nfs/dbraw/zinc/90/13/59/950901359.db2.gz CGVZDUDCDIEHDM-IUCAKERBSA-N -1 1 383.372 0.064 20 0 GCADMM CC(C)CCCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574190139 950907156 /nfs/dbraw/zinc/90/71/56/950907156.db2.gz VCXYWKMDKFHOGE-UHFFFAOYSA-N -1 1 388.476 0.931 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576227479 950910630 /nfs/dbraw/zinc/91/06/30/950910630.db2.gz DBMAPAOURRHKGD-CHWSQXEVSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576227479 950910650 /nfs/dbraw/zinc/91/06/50/950910650.db2.gz DBMAPAOURRHKGD-CHWSQXEVSA-N -1 1 386.460 0.980 20 0 GCADMM CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574190363 950911411 /nfs/dbraw/zinc/91/14/11/950911411.db2.gz XFPANWMDTZGXTN-GOSISDBHSA-N -1 1 388.476 0.931 20 0 GCADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574527929 950912696 /nfs/dbraw/zinc/91/26/96/950912696.db2.gz IQAFLSBJGWCDJC-UWVGGRQHSA-N -1 1 384.400 0.622 20 0 GCADMM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574527930 950913654 /nfs/dbraw/zinc/91/36/54/950913654.db2.gz IQAFLSBJGWCDJC-VHSXEESVSA-N -1 1 384.400 0.622 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576227521 950915362 /nfs/dbraw/zinc/91/53/62/950915362.db2.gz DKWAJVVUEJGHEC-XIKOKIGWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575936661 950923629 /nfs/dbraw/zinc/92/36/29/950923629.db2.gz HKAUOKWLAYKZKI-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575936661 950923642 /nfs/dbraw/zinc/92/36/42/950923642.db2.gz HKAUOKWLAYKZKI-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC001575936794 950926187 /nfs/dbraw/zinc/92/61/87/950926187.db2.gz IKUMEDCXABIIGR-NWDGAFQWSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC001575936794 950926205 /nfs/dbraw/zinc/92/62/05/950926205.db2.gz IKUMEDCXABIIGR-NWDGAFQWSA-N -1 1 383.420 0.130 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573894426 950926640 /nfs/dbraw/zinc/92/66/40/950926640.db2.gz RPTKZGHCGQXBCE-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573894426 950926650 /nfs/dbraw/zinc/92/66/50/950926650.db2.gz RPTKZGHCGQXBCE-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573894403 950926789 /nfs/dbraw/zinc/92/67/89/950926789.db2.gz RLSOXLVHJAOAOF-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573894403 950926808 /nfs/dbraw/zinc/92/68/08/950926808.db2.gz RLSOXLVHJAOAOF-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573894407 950927268 /nfs/dbraw/zinc/92/72/68/950927268.db2.gz RLSOXLVHJAOAOF-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573894407 950927283 /nfs/dbraw/zinc/92/72/83/950927283.db2.gz RLSOXLVHJAOAOF-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573894415 950929183 /nfs/dbraw/zinc/92/91/83/950929183.db2.gz RPFTYGBZXYBKKZ-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573894415 950929194 /nfs/dbraw/zinc/92/91/94/950929194.db2.gz RPFTYGBZXYBKKZ-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ncccn1 ZINC001575936855 950931897 /nfs/dbraw/zinc/93/18/97/950931897.db2.gz IYERWGXRKLNFBN-RYUDHWBXSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ncccn1 ZINC001575936855 950931913 /nfs/dbraw/zinc/93/19/13/950931913.db2.gz IYERWGXRKLNFBN-RYUDHWBXSA-N -1 1 380.416 0.481 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001573894656 950933170 /nfs/dbraw/zinc/93/31/70/950933170.db2.gz WNRDDRTXXIQDMJ-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001573894656 950933187 /nfs/dbraw/zinc/93/31/87/950933187.db2.gz WNRDDRTXXIQDMJ-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001573894675 950933366 /nfs/dbraw/zinc/93/33/66/950933366.db2.gz XIDDWKJLUOBIIQ-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001573894675 950933382 /nfs/dbraw/zinc/93/33/82/950933382.db2.gz XIDDWKJLUOBIIQ-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001573894697 950939215 /nfs/dbraw/zinc/93/92/15/950939215.db2.gz YPNNGTSXMJTPKO-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001573894697 950939222 /nfs/dbraw/zinc/93/92/22/950939222.db2.gz YPNNGTSXMJTPKO-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C1CC1 ZINC001573895936 950943298 /nfs/dbraw/zinc/94/32/98/950943298.db2.gz FMMBOEDKYDQOQQ-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)C1CC1 ZINC001573895936 950943318 /nfs/dbraw/zinc/94/33/18/950943318.db2.gz FMMBOEDKYDQOQQ-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)CCCC(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574193813 950949347 /nfs/dbraw/zinc/94/93/47/950949347.db2.gz TYPWEBAZWYRZMQ-UHFFFAOYSA-N -1 1 387.492 0.721 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001576228764 950952598 /nfs/dbraw/zinc/95/25/98/950952598.db2.gz KWJSDDXSVAWCGE-KZULUSFZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001576228764 950952617 /nfs/dbraw/zinc/95/26/17/950952617.db2.gz KWJSDDXSVAWCGE-KZULUSFZSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C)C[C@@]1(CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001575643081 950956028 /nfs/dbraw/zinc/95/60/28/950956028.db2.gz XMLUPQRYPVCCNJ-LJQANCHMSA-N -1 1 395.423 0.613 20 0 GCADMM CC1(C)C[C@]1(C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001575643178 950960013 /nfs/dbraw/zinc/96/00/13/950960013.db2.gz ZGGRFBCOXCPUIT-LJQANCHMSA-N -1 1 395.423 0.613 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575938143 950972923 /nfs/dbraw/zinc/97/29/23/950972923.db2.gz NFQHIBXBKTWGQV-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575938143 950972937 /nfs/dbraw/zinc/97/29/37/950972937.db2.gz NFQHIBXBKTWGQV-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576229632 950974917 /nfs/dbraw/zinc/97/49/17/950974917.db2.gz NOJVZWFZFYCWAC-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576229632 950974925 /nfs/dbraw/zinc/97/49/25/950974925.db2.gz NOJVZWFZFYCWAC-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576229642 950978133 /nfs/dbraw/zinc/97/81/33/950978133.db2.gz NOJVZWFZFYCWAC-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576229642 950978147 /nfs/dbraw/zinc/97/81/47/950978147.db2.gz NOJVZWFZFYCWAC-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643790 950981461 /nfs/dbraw/zinc/98/14/61/950981461.db2.gz OYYVMAGAOHIKKM-QWHCGFSZSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643785 950981640 /nfs/dbraw/zinc/98/16/40/950981640.db2.gz OYYVMAGAOHIKKM-CHWSQXEVSA-N -1 1 386.460 0.493 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CC1 ZINC001573899986 950992787 /nfs/dbraw/zinc/99/27/87/950992787.db2.gz NVPXWEQDNVAQFD-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CC1 ZINC001573899986 950992799 /nfs/dbraw/zinc/99/27/99/950992799.db2.gz NVPXWEQDNVAQFD-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573899976 950993872 /nfs/dbraw/zinc/99/38/72/950993872.db2.gz NEZFGWSCRUWMME-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573899976 950993891 /nfs/dbraw/zinc/99/38/91/950993891.db2.gz NEZFGWSCRUWMME-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576230452 951008389 /nfs/dbraw/zinc/00/83/89/951008389.db2.gz RMPQHSRCFBKEBY-KZULUSFZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576230452 951008407 /nfs/dbraw/zinc/00/84/07/951008407.db2.gz RMPQHSRCFBKEBY-KZULUSFZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575023929 951089792 /nfs/dbraw/zinc/08/97/92/951089792.db2.gz SIIPARPWGQKGEM-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575023929 951089812 /nfs/dbraw/zinc/08/98/12/951089812.db2.gz SIIPARPWGQKGEM-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024353 951101944 /nfs/dbraw/zinc/10/19/44/951101944.db2.gz BOVRRZRTDJFMIU-QWRGUYRKSA-N -1 1 380.412 0.632 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024811 951115025 /nfs/dbraw/zinc/11/50/25/951115025.db2.gz NBOXYCUCWVHWHT-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024811 951115033 /nfs/dbraw/zinc/11/50/33/951115033.db2.gz NBOXYCUCWVHWHT-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2[nH]ccc2n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575024755 951115395 /nfs/dbraw/zinc/11/53/95/951115395.db2.gz MCZHWOGZVUFPDO-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2[nH]ccc2n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575024755 951115397 /nfs/dbraw/zinc/11/53/97/951115397.db2.gz MCZHWOGZVUFPDO-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024976 951120002 /nfs/dbraw/zinc/12/00/02/951120002.db2.gz QXBUAOVUBOXLDI-SNVBAGLBSA-N -1 1 385.407 0.514 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024913 951120133 /nfs/dbraw/zinc/12/01/33/951120133.db2.gz PQMSWLSVSQISDF-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024913 951120136 /nfs/dbraw/zinc/12/01/36/951120136.db2.gz PQMSWLSVSQISDF-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025144 951128437 /nfs/dbraw/zinc/12/84/37/951128437.db2.gz VXQQOKPQGQOVPD-VIFPVBQESA-N -1 1 383.372 0.053 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025144 951128440 /nfs/dbraw/zinc/12/84/40/951128440.db2.gz VXQQOKPQGQOVPD-VIFPVBQESA-N -1 1 383.372 0.053 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2nccn21)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575028534 951173880 /nfs/dbraw/zinc/17/38/80/951173880.db2.gz NSNIIZQDBMANBS-LLVKDONJSA-N -1 1 378.400 0.782 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575029002 951180152 /nfs/dbraw/zinc/18/01/52/951180152.db2.gz YEJJGJYJTHJVJC-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575029002 951180158 /nfs/dbraw/zinc/18/01/58/951180158.db2.gz YEJJGJYJTHJVJC-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1ccccc1-n1ccnn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029285 951185373 /nfs/dbraw/zinc/18/53/73/951185373.db2.gz SCHFPBCQQCNTMG-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@H](CNC(=O)c1ccccc1-n1ccnn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029285 951185385 /nfs/dbraw/zinc/18/53/85/951185385.db2.gz SCHFPBCQQCNTMG-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1cccn2nccc12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575031697 951201047 /nfs/dbraw/zinc/20/10/47/951201047.db2.gz HEBDNFLHZHMQNA-NSHDSACASA-N -1 1 378.400 0.559 20 0 GCADMM C[C@H](CNC(=O)c1cccn2ccnc12)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575031749 951203987 /nfs/dbraw/zinc/20/39/87/951203987.db2.gz IAUKSCDRNZMFIA-NSHDSACASA-N -1 1 378.400 0.782 20 0 GCADMM C[C@H](CNC(=O)c1cccn2ccnc12)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575031749 951204000 /nfs/dbraw/zinc/20/40/00/951204000.db2.gz IAUKSCDRNZMFIA-NSHDSACASA-N -1 1 378.400 0.782 20 0 GCADMM CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575031766 951204110 /nfs/dbraw/zinc/20/41/10/951204110.db2.gz ILDDZKDHVGQVEZ-LLVKDONJSA-N -1 1 383.416 0.491 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575034384 951247690 /nfs/dbraw/zinc/24/76/90/951247690.db2.gz MYEXUDLWTDODQF-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575034384 951247702 /nfs/dbraw/zinc/24/77/02/951247702.db2.gz MYEXUDLWTDODQF-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034419 951247799 /nfs/dbraw/zinc/24/77/99/951247799.db2.gz BIFIXTPKADBQSL-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034419 951247808 /nfs/dbraw/zinc/24/78/08/951247808.db2.gz BIFIXTPKADBQSL-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC1CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575034968 951262464 /nfs/dbraw/zinc/26/24/64/951262464.db2.gz RGTYFJGQICVAJG-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575034968 951262475 /nfs/dbraw/zinc/26/24/75/951262475.db2.gz RGTYFJGQICVAJG-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC1CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575034965 951264336 /nfs/dbraw/zinc/26/43/36/951264336.db2.gz RGTYFJGQICVAJG-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575034965 951264353 /nfs/dbraw/zinc/26/43/53/951264353.db2.gz RGTYFJGQICVAJG-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575035105 951267240 /nfs/dbraw/zinc/26/72/40/951267240.db2.gz GGNQJVKBFKDKLR-NSHDSACASA-N -1 1 379.428 0.829 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575035087 951268509 /nfs/dbraw/zinc/26/85/09/951268509.db2.gz URQSYODBDLIPHV-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575035087 951268518 /nfs/dbraw/zinc/26/85/18/951268518.db2.gz URQSYODBDLIPHV-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575035178 951270970 /nfs/dbraw/zinc/27/09/70/951270970.db2.gz HDIYEGDCFRMJPO-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575035178 951270985 /nfs/dbraw/zinc/27/09/85/951270985.db2.gz HDIYEGDCFRMJPO-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575035194 951271873 /nfs/dbraw/zinc/27/18/73/951271873.db2.gz HGVWIXZYORWDGI-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575035194 951271883 /nfs/dbraw/zinc/27/18/83/951271883.db2.gz HGVWIXZYORWDGI-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C)n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575036450 951294492 /nfs/dbraw/zinc/29/44/92/951294492.db2.gz SCTKDYOAWZZMES-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C)n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575036450 951294501 /nfs/dbraw/zinc/29/45/01/951294501.db2.gz SCTKDYOAWZZMES-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575036474 951296059 /nfs/dbraw/zinc/29/60/59/951296059.db2.gz SONVWZZQBHMFJE-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575036474 951296069 /nfs/dbraw/zinc/29/60/69/951296069.db2.gz SONVWZZQBHMFJE-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])[nH]n1 ZINC001592094278 951296786 /nfs/dbraw/zinc/29/67/86/951296786.db2.gz KSZDNVNGAOKXGA-GMSGAONNSA-N -1 1 378.307 0.545 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575036839 951301732 /nfs/dbraw/zinc/30/17/32/951301732.db2.gz XMOWGNZJVMGUIM-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575036839 951301746 /nfs/dbraw/zinc/30/17/46/951301746.db2.gz XMOWGNZJVMGUIM-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575037651 951307050 /nfs/dbraw/zinc/30/70/50/951307050.db2.gz CIBXKXLDOPCKEX-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575037651 951307063 /nfs/dbraw/zinc/30/70/63/951307063.db2.gz CIBXKXLDOPCKEX-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575038854 951324154 /nfs/dbraw/zinc/32/41/54/951324154.db2.gz MIMPZVOGKRJOIV-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575038854 951324168 /nfs/dbraw/zinc/32/41/68/951324168.db2.gz MIMPZVOGKRJOIV-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575040591 951346405 /nfs/dbraw/zinc/34/64/05/951346405.db2.gz ZCFAXTIPCMGGRY-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575040591 951346414 /nfs/dbraw/zinc/34/64/14/951346414.db2.gz ZCFAXTIPCMGGRY-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575041766 951349841 /nfs/dbraw/zinc/34/98/41/951349841.db2.gz BNQNRDXHHBXEAP-RXMQYKEDSA-N -1 1 383.825 0.646 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575041753 951350040 /nfs/dbraw/zinc/35/00/40/951350040.db2.gz BHGNMVNOIGCVBI-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575041753 951350052 /nfs/dbraw/zinc/35/00/52/951350052.db2.gz BHGNMVNOIGCVBI-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575041951 951352215 /nfs/dbraw/zinc/35/22/15/951352215.db2.gz DTMCKDKZPNEZOU-LLVKDONJSA-N -1 1 384.448 0.414 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575042131 951356314 /nfs/dbraw/zinc/35/63/14/951356314.db2.gz GCHXWXNYJCLCRH-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575042131 951356330 /nfs/dbraw/zinc/35/63/30/951356330.db2.gz GCHXWXNYJCLCRH-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575042718 951370639 /nfs/dbraw/zinc/37/06/39/951370639.db2.gz BCWYKUIGARMBSF-WDEREUQCSA-N -1 1 382.432 0.403 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575043491 951391842 /nfs/dbraw/zinc/39/18/42/951391842.db2.gz RZTQXPCGJRBDGH-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575043491 951391852 /nfs/dbraw/zinc/39/18/52/951391852.db2.gz RZTQXPCGJRBDGH-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575043461 951392290 /nfs/dbraw/zinc/39/22/90/951392290.db2.gz JNNUSQGEFSLLAQ-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575043461 951392300 /nfs/dbraw/zinc/39/23/00/951392300.db2.gz JNNUSQGEFSLLAQ-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043562 951397204 /nfs/dbraw/zinc/39/72/04/951397204.db2.gz USEMMKPVFLCCKS-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575043611 951399338 /nfs/dbraw/zinc/39/93/38/951399338.db2.gz KTCBWJDKUZZDGD-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575043611 951399351 /nfs/dbraw/zinc/39/93/51/951399351.db2.gz KTCBWJDKUZZDGD-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043725 951401689 /nfs/dbraw/zinc/40/16/89/951401689.db2.gz MNAAQRIPLOXERN-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043725 951401697 /nfs/dbraw/zinc/40/16/97/951401697.db2.gz MNAAQRIPLOXERN-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575044325 951413610 /nfs/dbraw/zinc/41/36/10/951413610.db2.gz RIORTFFFUBYUFF-LLVKDONJSA-N -1 1 382.432 0.089 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575044588 951415337 /nfs/dbraw/zinc/41/53/37/951415337.db2.gz SMPYOLKSLPPDBT-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575044588 951415343 /nfs/dbraw/zinc/41/53/43/951415343.db2.gz SMPYOLKSLPPDBT-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2[nH]cnc2c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044898 951420104 /nfs/dbraw/zinc/42/01/04/951420104.db2.gz WZDKYHDJRHEFLL-SECBINFHSA-N -1 1 379.388 0.406 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575044932 951420525 /nfs/dbraw/zinc/42/05/25/951420525.db2.gz XQPYJQOQNXONGS-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575044932 951420539 /nfs/dbraw/zinc/42/05/39/951420539.db2.gz XQPYJQOQNXONGS-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044970 951422582 /nfs/dbraw/zinc/42/25/82/951422582.db2.gz YJJJDDUMZTWRDQ-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044970 951422585 /nfs/dbraw/zinc/42/25/85/951422585.db2.gz YJJJDDUMZTWRDQ-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575045606 951429645 /nfs/dbraw/zinc/42/96/45/951429645.db2.gz FFOFFCAPLHJBKI-NSHDSACASA-N -1 1 382.432 0.232 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575046677 951445512 /nfs/dbraw/zinc/44/55/12/951445512.db2.gz QYDDFXZWRLHURS-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575046677 951445530 /nfs/dbraw/zinc/44/55/30/951445530.db2.gz QYDDFXZWRLHURS-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575046841 951448666 /nfs/dbraw/zinc/44/86/66/951448666.db2.gz UNUQRPNDXVWQDQ-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575046841 951448672 /nfs/dbraw/zinc/44/86/72/951448672.db2.gz UNUQRPNDXVWQDQ-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575051960 951456991 /nfs/dbraw/zinc/45/69/91/951456991.db2.gz BZAJNRLFNOSSPW-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575052085 951458376 /nfs/dbraw/zinc/45/83/76/951458376.db2.gz CUVJEMPPZIRRJL-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575052085 951458382 /nfs/dbraw/zinc/45/83/82/951458382.db2.gz CUVJEMPPZIRRJL-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575052121 951459709 /nfs/dbraw/zinc/45/97/09/951459709.db2.gz DIBHEHCLDPCFDF-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575052121 951459715 /nfs/dbraw/zinc/45/97/15/951459715.db2.gz DIBHEHCLDPCFDF-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575052207 951460994 /nfs/dbraw/zinc/46/09/94/951460994.db2.gz GBDMYMSYQAEMAV-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575052207 951461003 /nfs/dbraw/zinc/46/10/03/951461003.db2.gz GBDMYMSYQAEMAV-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575052436 951462994 /nfs/dbraw/zinc/46/29/94/951462994.db2.gz JGTXOBONICGZGW-NSHDSACASA-N -1 1 382.432 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575052436 951463003 /nfs/dbraw/zinc/46/30/03/951463003.db2.gz JGTXOBONICGZGW-NSHDSACASA-N -1 1 382.432 0.518 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052494 951467515 /nfs/dbraw/zinc/46/75/15/951467515.db2.gz KFAXRITULXPPFS-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052494 951467521 /nfs/dbraw/zinc/46/75/21/951467521.db2.gz KFAXRITULXPPFS-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052542 951469185 /nfs/dbraw/zinc/46/91/85/951469185.db2.gz LGANMMPWKHENNR-NSHDSACASA-N -1 1 384.448 0.508 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575052754 951471240 /nfs/dbraw/zinc/47/12/40/951471240.db2.gz NSDXGSMLPDHLLE-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575052754 951471248 /nfs/dbraw/zinc/47/12/48/951471248.db2.gz NSDXGSMLPDHLLE-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575052787 951471459 /nfs/dbraw/zinc/47/14/59/951471459.db2.gz OHRSEFZNSRDWOV-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575052787 951471466 /nfs/dbraw/zinc/47/14/66/951471466.db2.gz OHRSEFZNSRDWOV-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575052897 951473072 /nfs/dbraw/zinc/47/30/72/951473072.db2.gz QAVVMMVRCLMFBP-LLVKDONJSA-N -1 1 382.432 0.518 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575052897 951473076 /nfs/dbraw/zinc/47/30/76/951473076.db2.gz QAVVMMVRCLMFBP-LLVKDONJSA-N -1 1 382.432 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575052862 951474150 /nfs/dbraw/zinc/47/41/50/951474150.db2.gz PGSADAZWDQTAJH-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575052862 951474161 /nfs/dbraw/zinc/47/41/61/951474161.db2.gz PGSADAZWDQTAJH-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1coc(-c2cccnc2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575053389 951478291 /nfs/dbraw/zinc/47/82/91/951478291.db2.gz BWZFBUYIDZUIJP-JTQLQIEISA-N -1 1 392.383 0.359 20 0 GCADMM CC(C)n1ncc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1Cl ZINC001575053661 951480363 /nfs/dbraw/zinc/48/03/63/951480363.db2.gz TUZVDKOPYBUUMI-SECBINFHSA-N -1 1 390.839 0.740 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575054189 951488385 /nfs/dbraw/zinc/48/83/85/951488385.db2.gz XFEADLRWSAGKEJ-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575054189 951488390 /nfs/dbraw/zinc/48/83/90/951488390.db2.gz XFEADLRWSAGKEJ-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575054215 951489788 /nfs/dbraw/zinc/48/97/88/951489788.db2.gz XOQIRKDBCWFFNQ-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575054670 951495840 /nfs/dbraw/zinc/49/58/40/951495840.db2.gz ZVAUSJXEAPFSGS-LLVKDONJSA-N -1 1 382.432 0.518 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575054670 951495847 /nfs/dbraw/zinc/49/58/47/951495847.db2.gz ZVAUSJXEAPFSGS-LLVKDONJSA-N -1 1 382.432 0.518 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575054691 951496661 /nfs/dbraw/zinc/49/66/61/951496661.db2.gz JYSHYJCHCQMOGY-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575055220 951499744 /nfs/dbraw/zinc/49/97/44/951499744.db2.gz OJHQKWSSSVNGGN-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575055220 951499745 /nfs/dbraw/zinc/49/97/45/951499745.db2.gz OJHQKWSSSVNGGN-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2ccncc12)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575055214 951499878 /nfs/dbraw/zinc/49/98/78/951499878.db2.gz OGDLRYIRKLJJDK-SNVBAGLBSA-N -1 1 379.388 0.177 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2ccncc12)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575055214 951499884 /nfs/dbraw/zinc/49/98/84/951499884.db2.gz OGDLRYIRKLJJDK-SNVBAGLBSA-N -1 1 379.388 0.177 20 0 GCADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575056339 951518044 /nfs/dbraw/zinc/51/80/44/951518044.db2.gz HTNVSPAMZUWNMH-VIFPVBQESA-N -1 1 385.457 0.891 20 0 GCADMM C[C@@H](CNC(=O)c1conc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575057400 951528361 /nfs/dbraw/zinc/52/83/61/951528361.db2.gz OYNAXQLFMWSXKU-LURJTMIESA-N -1 1 383.294 0.316 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575057858 951531788 /nfs/dbraw/zinc/53/17/88/951531788.db2.gz RSTDTYUWSJTELH-SNVBAGLBSA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575057858 951531793 /nfs/dbraw/zinc/53/17/93/951531793.db2.gz RSTDTYUWSJTELH-SNVBAGLBSA-N -1 1 383.416 0.852 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575060838 951549050 /nfs/dbraw/zinc/54/90/50/951549050.db2.gz HXAPMTAIGXPFRU-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575060838 951549055 /nfs/dbraw/zinc/54/90/55/951549055.db2.gz HXAPMTAIGXPFRU-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575060863 951549693 /nfs/dbraw/zinc/54/96/93/951549693.db2.gz IJEXFMPFXXMXMV-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575060839 951550715 /nfs/dbraw/zinc/55/07/15/951550715.db2.gz HXAPMTAIGXPFRU-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575060839 951550722 /nfs/dbraw/zinc/55/07/22/951550722.db2.gz HXAPMTAIGXPFRU-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575060973 951552511 /nfs/dbraw/zinc/55/25/11/951552511.db2.gz KKWVSYMSCLKTBU-SNVBAGLBSA-N -1 1 382.432 0.159 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575060965 951552917 /nfs/dbraw/zinc/55/29/17/951552917.db2.gz KKCGGDJOYSHLQS-JTQLQIEISA-N -1 1 382.432 0.737 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575060965 951552928 /nfs/dbraw/zinc/55/29/28/951552928.db2.gz KKCGGDJOYSHLQS-JTQLQIEISA-N -1 1 382.432 0.737 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575060950 951553564 /nfs/dbraw/zinc/55/35/64/951553564.db2.gz KHKUSDNXZMBIJR-SNVBAGLBSA-N -1 1 382.432 0.737 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575064766 951578856 /nfs/dbraw/zinc/57/88/56/951578856.db2.gz DBRSYERLIZSRQU-SSDOTTSWSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575064766 951578863 /nfs/dbraw/zinc/57/88/63/951578863.db2.gz DBRSYERLIZSRQU-SSDOTTSWSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575064854 951579653 /nfs/dbraw/zinc/57/96/53/951579653.db2.gz DULAEUWGOYRJJE-VIFPVBQESA-N -1 1 385.388 0.195 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575064854 951579657 /nfs/dbraw/zinc/57/96/57/951579657.db2.gz DULAEUWGOYRJJE-VIFPVBQESA-N -1 1 385.388 0.195 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575065462 951586199 /nfs/dbraw/zinc/58/61/99/951586199.db2.gz HITOACKWZGOANZ-JTQLQIEISA-N -1 1 384.400 0.800 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575065462 951586203 /nfs/dbraw/zinc/58/62/03/951586203.db2.gz HITOACKWZGOANZ-JTQLQIEISA-N -1 1 384.400 0.800 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065764 951586659 /nfs/dbraw/zinc/58/66/59/951586659.db2.gz INPZUFIKIAVKAR-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065764 951586670 /nfs/dbraw/zinc/58/66/70/951586670.db2.gz INPZUFIKIAVKAR-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575065763 951587277 /nfs/dbraw/zinc/58/72/77/951587277.db2.gz ILQYMEQTCVQQJF-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575065763 951587287 /nfs/dbraw/zinc/58/72/87/951587287.db2.gz ILQYMEQTCVQQJF-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575065464 951587861 /nfs/dbraw/zinc/58/78/61/951587861.db2.gz HITOACKWZGOANZ-SNVBAGLBSA-N -1 1 384.400 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575065464 951587872 /nfs/dbraw/zinc/58/78/72/951587872.db2.gz HITOACKWZGOANZ-SNVBAGLBSA-N -1 1 384.400 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1nccnc1N)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575066568 951597296 /nfs/dbraw/zinc/59/72/96/951597296.db2.gz GWDZNLMEGNKBHL-YFKPBYRVSA-N -1 1 380.825 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1nccnc1N)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575066568 951597303 /nfs/dbraw/zinc/59/73/03/951597303.db2.gz GWDZNLMEGNKBHL-YFKPBYRVSA-N -1 1 380.825 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575067261 951606703 /nfs/dbraw/zinc/60/67/03/951606703.db2.gz POZPNHJLKXZDHT-ZETCQYMHSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067317 951609473 /nfs/dbraw/zinc/60/94/73/951609473.db2.gz REXVXBUNKHMYAD-SNVBAGLBSA-N -1 1 384.400 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067317 951609478 /nfs/dbraw/zinc/60/94/78/951609478.db2.gz REXVXBUNKHMYAD-SNVBAGLBSA-N -1 1 384.400 0.800 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575067479 951614732 /nfs/dbraw/zinc/61/47/32/951614732.db2.gz TUUNZRGVMONMPD-SNVBAGLBSA-N -1 1 383.416 0.566 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C)n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575068033 951630358 /nfs/dbraw/zinc/63/03/58/951630358.db2.gz VUUXUWHVGVBOIL-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C)n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575068033 951630368 /nfs/dbraw/zinc/63/03/68/951630368.db2.gz VUUXUWHVGVBOIL-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575068254 951631837 /nfs/dbraw/zinc/63/18/37/951631837.db2.gz YTMIMZMALGEQKX-LLVKDONJSA-N -1 1 383.416 0.491 20 0 GCADMM C[C@@H](CNC(=O)c1scc2c1OCCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575068587 951635690 /nfs/dbraw/zinc/63/56/90/951635690.db2.gz BNIVLAPYRKGAOP-QMMMGPOBSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@@H](CNC(=O)c1scc2c1OCCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575068587 951635698 /nfs/dbraw/zinc/63/56/98/951635698.db2.gz BNIVLAPYRKGAOP-QMMMGPOBSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575069666 951645441 /nfs/dbraw/zinc/64/54/41/951645441.db2.gz LNMMUWIBEPYQJA-SECBINFHSA-N -1 1 385.457 0.891 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575071356 951659304 /nfs/dbraw/zinc/65/93/04/951659304.db2.gz ZYWXKFQWUPMSJD-MRVPVSSYSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575071356 951659315 /nfs/dbraw/zinc/65/93/15/951659315.db2.gz ZYWXKFQWUPMSJD-MRVPVSSYSA-N -1 1 386.445 0.864 20 0 GCADMM O=C([O-])CN1CCC[C@H](C(=O)N2CCc3nc[nH]c3C23CCOCC3)C1=O ZINC001595082612 951700017 /nfs/dbraw/zinc/70/00/17/951700017.db2.gz HBBRFZQJSIKNAK-LBPRGKRZSA-N -1 1 376.413 0.123 20 0 GCADMM O=C([O-])CNC(=O)CN1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001595097482 951833691 /nfs/dbraw/zinc/83/36/91/951833691.db2.gz MMTYHOSXPLOQKS-LBPRGKRZSA-N -1 1 379.379 0.700 20 0 GCADMM C[C@H]1[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000382027358 971796399 /nfs/dbraw/zinc/79/63/99/971796399.db2.gz QVDPONSHNXNHRW-BBRMVZONSA-N -1 1 378.454 0.909 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575128878 952073063 /nfs/dbraw/zinc/07/30/63/952073063.db2.gz NUHSZHQEALRKED-LSIMKLPESA-N -1 1 384.444 0.921 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575128878 952073071 /nfs/dbraw/zinc/07/30/71/952073071.db2.gz NUHSZHQEALRKED-LSIMKLPESA-N -1 1 384.444 0.921 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575129283 952079172 /nfs/dbraw/zinc/07/91/72/952079172.db2.gz SUWNRDRPBSGOIE-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575129283 952079182 /nfs/dbraw/zinc/07/91/82/952079182.db2.gz SUWNRDRPBSGOIE-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575129282 952079320 /nfs/dbraw/zinc/07/93/20/952079320.db2.gz SUWNRDRPBSGOIE-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575129282 952079328 /nfs/dbraw/zinc/07/93/28/952079328.db2.gz SUWNRDRPBSGOIE-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575129574 952080566 /nfs/dbraw/zinc/08/05/66/952080566.db2.gz VYYOQYVUBLITJR-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575129574 952080577 /nfs/dbraw/zinc/08/05/77/952080577.db2.gz VYYOQYVUBLITJR-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575131739 952088673 /nfs/dbraw/zinc/08/86/73/952088673.db2.gz AWNIMPFRLQRDSX-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575132214 952090871 /nfs/dbraw/zinc/09/08/71/952090871.db2.gz DRZAHBUQWLWJNH-AAEUAGOBSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575132214 952090879 /nfs/dbraw/zinc/09/08/79/952090879.db2.gz DRZAHBUQWLWJNH-AAEUAGOBSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)Nc2ccc3[nH]nnc3c2)C1 ZINC001602891585 971801614 /nfs/dbraw/zinc/80/16/14/971801614.db2.gz AYVGZCKSYWIDDZ-KRWDZBQOSA-N -1 1 391.384 0.987 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCn1ccccc1=O ZINC001575132097 952091907 /nfs/dbraw/zinc/09/19/07/952091907.db2.gz CCLBIYLRWQDEJB-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCn1ccccc1=O ZINC001575132097 952091912 /nfs/dbraw/zinc/09/19/12/952091912.db2.gz CCLBIYLRWQDEJB-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CN1CCCCCC1=O ZINC001575133538 952103519 /nfs/dbraw/zinc/10/35/19/952103519.db2.gz KSNGENRUENRRCV-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CN1CCCCCC1=O ZINC001575133538 952103524 /nfs/dbraw/zinc/10/35/24/952103524.db2.gz KSNGENRUENRRCV-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575134450 952111259 /nfs/dbraw/zinc/11/12/59/952111259.db2.gz IEBBQJBFLLOYOB-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575134450 952111263 /nfs/dbraw/zinc/11/12/63/952111263.db2.gz IEBBQJBFLLOYOB-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575135722 952119697 /nfs/dbraw/zinc/11/96/97/952119697.db2.gz NBGNBSMQWDFBRM-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575135722 952119705 /nfs/dbraw/zinc/11/97/05/952119705.db2.gz NBGNBSMQWDFBRM-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575135618 952119837 /nfs/dbraw/zinc/11/98/37/952119837.db2.gz MGNKFWJHLZNROR-MEBBXXQBSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575136271 952123877 /nfs/dbraw/zinc/12/38/77/952123877.db2.gz OFSIUTZUTMAPPG-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575136271 952123889 /nfs/dbraw/zinc/12/38/89/952123889.db2.gz OFSIUTZUTMAPPG-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[nH]n2)nn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575136741 952127522 /nfs/dbraw/zinc/12/75/22/952127522.db2.gz WCZOAFXHBMLASF-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575139858 952141655 /nfs/dbraw/zinc/14/16/55/952141655.db2.gz CQAKWWHEIJCPEZ-QWHCGFSZSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575141323 952143247 /nfs/dbraw/zinc/14/32/47/952143247.db2.gz GOLJDCGBNITTRA-JTQLQIEISA-N -1 1 390.839 0.278 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575141310 952144257 /nfs/dbraw/zinc/14/42/57/952144257.db2.gz GIWZZVRUTZJLNF-BXUZGUMPSA-N -1 1 380.412 0.341 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575142209 952146748 /nfs/dbraw/zinc/14/67/48/952146748.db2.gz KGUQXHWRMCJTED-JSGCOSHPSA-N -1 1 384.419 0.918 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575142707 952148538 /nfs/dbraw/zinc/14/85/38/952148538.db2.gz LBNHECDIYLZWKJ-GOSISDBHSA-N -1 1 380.412 0.795 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCOc1ccccc1 ZINC001575143210 952150706 /nfs/dbraw/zinc/15/07/06/952150706.db2.gz OMQRBFJEZWWRIK-ZDUSSCGKSA-N -1 1 382.428 0.807 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCOc1ccccc1 ZINC001575143208 952151222 /nfs/dbraw/zinc/15/12/22/952151222.db2.gz OMQRBFJEZWWRIK-CYBMUJFWSA-N -1 1 382.428 0.807 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575143721 952156397 /nfs/dbraw/zinc/15/63/97/952156397.db2.gz CGAXESJXUJMYEI-JTQLQIEISA-N -1 1 385.432 0.937 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@@H](N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001602893224 971807964 /nfs/dbraw/zinc/80/79/64/971807964.db2.gz PMGHYCYENLXPEL-KBPBESRZSA-N -1 1 385.461 0.678 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575144052 952161338 /nfs/dbraw/zinc/16/13/38/952161338.db2.gz FVHMFGUCPZJMMF-MRVPVSSYSA-N -1 1 378.347 0.243 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575144158 952162711 /nfs/dbraw/zinc/16/27/11/952162711.db2.gz UOEODXOIQWQWDI-AAEUAGOBSA-N -1 1 379.428 0.462 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575144317 952164331 /nfs/dbraw/zinc/16/43/31/952164331.db2.gz UZDLRXUVDYHXDT-GFCCVEGCSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575144441 952166053 /nfs/dbraw/zinc/16/60/53/952166053.db2.gz VSESBXJKEZSNTF-GHMZBOCLSA-N -1 1 382.432 0.181 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575144658 952169151 /nfs/dbraw/zinc/16/91/51/952169151.db2.gz XCUKPVCFHHOHGC-KWCYVHTRSA-N -1 1 386.460 0.400 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575144758 952170591 /nfs/dbraw/zinc/17/05/91/952170591.db2.gz XWAWNRJXLPNHQL-SFHVURJKSA-N -1 1 381.444 0.667 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575144830 952171705 /nfs/dbraw/zinc/17/17/05/952171705.db2.gz MNAPWXQJCLZAKL-JTQLQIEISA-N -1 1 380.416 0.319 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575145242 952180529 /nfs/dbraw/zinc/18/05/29/952180529.db2.gz UEEVZMCNDAQUBG-SNVBAGLBSA-N -1 1 385.432 0.937 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CC(N3CCCC3)C2)C1 ZINC001602893439 971810997 /nfs/dbraw/zinc/81/09/97/971810997.db2.gz WRIWVKAQBJRIEB-SFHVURJKSA-N -1 1 383.445 0.384 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CC(N3CCCC3)C2)C1 ZINC001602893438 971811133 /nfs/dbraw/zinc/81/11/33/971811133.db2.gz WRIWVKAQBJRIEB-GOSISDBHSA-N -1 1 383.445 0.384 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575146858 952197483 /nfs/dbraw/zinc/19/74/83/952197483.db2.gz PDFNFEDRAHNBMJ-APPDUMDISA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575146858 952197486 /nfs/dbraw/zinc/19/74/86/952197486.db2.gz PDFNFEDRAHNBMJ-APPDUMDISA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575153395 952207826 /nfs/dbraw/zinc/20/78/26/952207826.db2.gz GVXWGQYHNBEAJK-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CN1CCCCCC1=O ZINC001575153694 952211523 /nfs/dbraw/zinc/21/15/23/952211523.db2.gz JETZLWUTPHGKRK-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CN1CCCCCC1=O ZINC001575153694 952211528 /nfs/dbraw/zinc/21/15/28/952211528.db2.gz JETZLWUTPHGKRK-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCOC1CCOCC1 ZINC001575153940 952214800 /nfs/dbraw/zinc/21/48/00/952214800.db2.gz MLBIUDCAOQHRDC-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCOC1CCOCC1 ZINC001575153940 952214808 /nfs/dbraw/zinc/21/48/08/952214808.db2.gz MLBIUDCAOQHRDC-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575153944 952214953 /nfs/dbraw/zinc/21/49/53/952214953.db2.gz MLWQIQCBZMSHAH-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575154533 952225145 /nfs/dbraw/zinc/22/51/45/952225145.db2.gz RXVMMUGLRZJASJ-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575154503 952225288 /nfs/dbraw/zinc/22/52/88/952225288.db2.gz RSGNKEHQGHZJPP-MNOVXSKESA-N -1 1 382.432 0.759 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575154607 952228126 /nfs/dbraw/zinc/22/81/26/952228126.db2.gz FOEDGKAWYOIKQP-DYZYQPBXSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575154607 952228134 /nfs/dbraw/zinc/22/81/34/952228134.db2.gz FOEDGKAWYOIKQP-DYZYQPBXSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1N(C)C ZINC001575154656 952229434 /nfs/dbraw/zinc/22/94/34/952229434.db2.gz HBMWCKSSNPNQEQ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1N(C)C ZINC001575154656 952229439 /nfs/dbraw/zinc/22/94/39/952229439.db2.gz HBMWCKSSNPNQEQ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575154680 952229743 /nfs/dbraw/zinc/22/97/43/952229743.db2.gz UJUCYWNFCYOMEV-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575154680 952229749 /nfs/dbraw/zinc/22/97/49/952229749.db2.gz UJUCYWNFCYOMEV-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575155485 952240203 /nfs/dbraw/zinc/24/02/03/952240203.db2.gz ZKQWGEJRGFKVGO-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575155485 952240212 /nfs/dbraw/zinc/24/02/12/952240212.db2.gz ZKQWGEJRGFKVGO-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575155743 952243647 /nfs/dbraw/zinc/24/36/47/952243647.db2.gz ABTATOIPBXUZST-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575155743 952243651 /nfs/dbraw/zinc/24/36/51/952243651.db2.gz ABTATOIPBXUZST-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575155740 952244268 /nfs/dbraw/zinc/24/42/68/952244268.db2.gz ABTATOIPBXUZST-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575155740 952244272 /nfs/dbraw/zinc/24/42/72/952244272.db2.gz ABTATOIPBXUZST-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575156137 952248731 /nfs/dbraw/zinc/24/87/31/952248731.db2.gz CSSCJAOJUQCWNQ-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575156137 952248736 /nfs/dbraw/zinc/24/87/36/952248736.db2.gz CSSCJAOJUQCWNQ-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575156161 952248798 /nfs/dbraw/zinc/24/87/98/952248798.db2.gz CVIWVPQMJVUFGH-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575156161 952248804 /nfs/dbraw/zinc/24/88/04/952248804.db2.gz CVIWVPQMJVUFGH-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575156415 952251415 /nfs/dbraw/zinc/25/14/15/952251415.db2.gz FMPGMQCGRHOYKV-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575156415 952251422 /nfs/dbraw/zinc/25/14/22/952251422.db2.gz FMPGMQCGRHOYKV-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc2cccnn21 ZINC001575156380 952251455 /nfs/dbraw/zinc/25/14/55/952251455.db2.gz FCJAIQUFFUHICA-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2cccnn21 ZINC001575156380 952251461 /nfs/dbraw/zinc/25/14/61/952251461.db2.gz FCJAIQUFFUHICA-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575156384 952251620 /nfs/dbraw/zinc/25/16/20/952251620.db2.gz FEWBOCCZAMNEFY-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575156384 952251626 /nfs/dbraw/zinc/25/16/26/952251626.db2.gz FEWBOCCZAMNEFY-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575156516 952253639 /nfs/dbraw/zinc/25/36/39/952253639.db2.gz SWLVZAHZANAOHE-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575156516 952253647 /nfs/dbraw/zinc/25/36/47/952253647.db2.gz SWLVZAHZANAOHE-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COCc1cccnc1 ZINC001575156612 952255042 /nfs/dbraw/zinc/25/50/42/952255042.db2.gz GQNBLSLOWPFBCL-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1cccnc1 ZINC001575156612 952255048 /nfs/dbraw/zinc/25/50/48/952255048.db2.gz GQNBLSLOWPFBCL-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575156601 952255740 /nfs/dbraw/zinc/25/57/40/952255740.db2.gz VQLYOAHGAOLDDP-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575156601 952255744 /nfs/dbraw/zinc/25/57/44/952255744.db2.gz VQLYOAHGAOLDDP-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575156861 952258112 /nfs/dbraw/zinc/25/81/12/952258112.db2.gz WVKWHPVDMXBNEH-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575156861 952258114 /nfs/dbraw/zinc/25/81/14/952258114.db2.gz WVKWHPVDMXBNEH-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575157316 952263881 /nfs/dbraw/zinc/26/38/81/952263881.db2.gz ZIGYLMKPNYMTHQ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575157316 952263886 /nfs/dbraw/zinc/26/38/86/952263886.db2.gz ZIGYLMKPNYMTHQ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575157415 952265448 /nfs/dbraw/zinc/26/54/48/952265448.db2.gz MXXNHTQZKPHSLU-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575157415 952265450 /nfs/dbraw/zinc/26/54/50/952265450.db2.gz MXXNHTQZKPHSLU-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575157703 952266169 /nfs/dbraw/zinc/26/61/69/952266169.db2.gz OXQWLRAUOXKVJC-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575157703 952266177 /nfs/dbraw/zinc/26/61/77/952266177.db2.gz OXQWLRAUOXKVJC-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575157641 952267131 /nfs/dbraw/zinc/26/71/31/952267131.db2.gz NYMAKHFJIPASSL-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575157641 952267133 /nfs/dbraw/zinc/26/71/33/952267133.db2.gz NYMAKHFJIPASSL-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575157847 952268647 /nfs/dbraw/zinc/26/86/47/952268647.db2.gz PUXSBELQGTUGEO-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575157847 952268650 /nfs/dbraw/zinc/26/86/50/952268650.db2.gz PUXSBELQGTUGEO-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cn1ncc2ccccc21 ZINC001575158423 952271363 /nfs/dbraw/zinc/27/13/63/952271363.db2.gz VEYJIXGCMCVKOV-GFCCVEGCSA-N -1 1 392.427 0.965 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1ncc2ccccc21 ZINC001575158423 952271370 /nfs/dbraw/zinc/27/13/70/952271370.db2.gz VEYJIXGCMCVKOV-GFCCVEGCSA-N -1 1 392.427 0.965 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575158396 952271387 /nfs/dbraw/zinc/27/13/87/952271387.db2.gz UREAISJAFTWHDC-GHMZBOCLSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575158396 952271392 /nfs/dbraw/zinc/27/13/92/952271392.db2.gz UREAISJAFTWHDC-GHMZBOCLSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575158665 952272929 /nfs/dbraw/zinc/27/29/29/952272929.db2.gz XAGBJZRTEBBNBF-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575158665 952272937 /nfs/dbraw/zinc/27/29/37/952272937.db2.gz XAGBJZRTEBBNBF-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575158664 952273165 /nfs/dbraw/zinc/27/31/65/952273165.db2.gz XAGBJZRTEBBNBF-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575158664 952273169 /nfs/dbraw/zinc/27/31/69/952273169.db2.gz XAGBJZRTEBBNBF-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COCc1ccncc1 ZINC001575158891 952275181 /nfs/dbraw/zinc/27/51/81/952275181.db2.gz XFJDDFNBZZPLQA-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1ccncc1 ZINC001575158891 952275183 /nfs/dbraw/zinc/27/51/83/952275183.db2.gz XFJDDFNBZZPLQA-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnnn1C ZINC001575164410 952293151 /nfs/dbraw/zinc/29/31/51/952293151.db2.gz DVEKVCBFIMKOOS-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnnn1C ZINC001575164410 952293154 /nfs/dbraw/zinc/29/31/54/952293154.db2.gz DVEKVCBFIMKOOS-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575173800 952357428 /nfs/dbraw/zinc/35/74/28/952357428.db2.gz AILVJCDNCXEZJV-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575173800 952357439 /nfs/dbraw/zinc/35/74/39/952357439.db2.gz AILVJCDNCXEZJV-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575173909 952359046 /nfs/dbraw/zinc/35/90/46/952359046.db2.gz CUQAHYGOLJSVMC-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575173909 952359054 /nfs/dbraw/zinc/35/90/54/952359054.db2.gz CUQAHYGOLJSVMC-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575173984 952362266 /nfs/dbraw/zinc/36/22/66/952362266.db2.gz DTEXVZXAKCXUGL-RISCZKNCSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575173984 952362274 /nfs/dbraw/zinc/36/22/74/952362274.db2.gz DTEXVZXAKCXUGL-RISCZKNCSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575174273 952367758 /nfs/dbraw/zinc/36/77/58/952367758.db2.gz KZEBOVCGENHKKD-LPSAFJIBSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575174273 952367770 /nfs/dbraw/zinc/36/77/70/952367770.db2.gz KZEBOVCGENHKKD-LPSAFJIBSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575174393 952371638 /nfs/dbraw/zinc/37/16/38/952371638.db2.gz NOWBCEANKJTIHA-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575174393 952371643 /nfs/dbraw/zinc/37/16/43/952371643.db2.gz NOWBCEANKJTIHA-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COCc1cccnc1 ZINC001575174620 952376996 /nfs/dbraw/zinc/37/69/96/952376996.db2.gz AQAOAXHNYBZAOR-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COCc1cccnc1 ZINC001575174620 952377002 /nfs/dbraw/zinc/37/70/02/952377002.db2.gz AQAOAXHNYBZAOR-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](COc1ccc(F)cc1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575176473 952394306 /nfs/dbraw/zinc/39/43/06/952394306.db2.gz HNBNOUPDSWJYKQ-JTQLQIEISA-N -1 1 375.368 0.364 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575176586 952396186 /nfs/dbraw/zinc/39/61/86/952396186.db2.gz DUZIJPIMWRZNCG-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575176586 952396193 /nfs/dbraw/zinc/39/61/93/952396193.db2.gz DUZIJPIMWRZNCG-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cn1cncn1 ZINC001575176995 952397561 /nfs/dbraw/zinc/39/75/61/952397561.db2.gz GANRFGKTIJATGY-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cn1cncn1 ZINC001575176995 952397568 /nfs/dbraw/zinc/39/75/68/952397568.db2.gz GANRFGKTIJATGY-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@H](C)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001575177766 952402759 /nfs/dbraw/zinc/40/27/59/952402759.db2.gz JPAJUWKBQDSVRO-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@H](C)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001575177766 952402762 /nfs/dbraw/zinc/40/27/62/952402762.db2.gz JPAJUWKBQDSVRO-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC001602903104 971830396 /nfs/dbraw/zinc/83/03/96/971830396.db2.gz LHQUDJFZTURRDP-CABCVRRESA-N -1 1 399.488 0.972 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1nnn(C)n1 ZINC001575178193 952405074 /nfs/dbraw/zinc/40/50/74/952405074.db2.gz LDHJAMNZNBOHRH-YFKPBYRVSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1nnn(C)n1 ZINC001575178193 952405078 /nfs/dbraw/zinc/40/50/78/952405078.db2.gz LDHJAMNZNBOHRH-YFKPBYRVSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1COCCO1 ZINC001575178735 952408008 /nfs/dbraw/zinc/40/80/08/952408008.db2.gz MAJNYZKLASONMT-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1COCCO1 ZINC001575178735 952408011 /nfs/dbraw/zinc/40/80/11/952408011.db2.gz MAJNYZKLASONMT-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](COCC1CCCCC1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575179074 952410703 /nfs/dbraw/zinc/41/07/03/952410703.db2.gz SMTQNASHXUJCQZ-GFCCVEGCSA-N -1 1 377.453 0.743 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575179457 952411505 /nfs/dbraw/zinc/41/15/05/952411505.db2.gz PFPLPHIIKPNEJH-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575179457 952411508 /nfs/dbraw/zinc/41/15/08/952411508.db2.gz PFPLPHIIKPNEJH-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCNC1=O ZINC001575179766 952414759 /nfs/dbraw/zinc/41/47/59/952414759.db2.gz QVPFSJZYNHAUOW-NKWVEPMBSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCNC1=O ZINC001575179766 952414761 /nfs/dbraw/zinc/41/47/61/952414761.db2.gz QVPFSJZYNHAUOW-NKWVEPMBSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575180512 952418353 /nfs/dbraw/zinc/41/83/53/952418353.db2.gz VBWRHGVXBXFDPP-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575180512 952418363 /nfs/dbraw/zinc/41/83/63/952418363.db2.gz VBWRHGVXBXFDPP-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575188462 952447575 /nfs/dbraw/zinc/44/75/75/952447575.db2.gz ILQNCUUZTUVGOB-NWDGAFQWSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575188462 952447580 /nfs/dbraw/zinc/44/75/80/952447580.db2.gz ILQNCUUZTUVGOB-NWDGAFQWSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575189899 952460558 /nfs/dbraw/zinc/46/05/58/952460558.db2.gz QKBMXBRAGYOCTN-GFCCVEGCSA-N -1 1 384.419 0.967 20 0 GCADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001571116619 952475719 /nfs/dbraw/zinc/47/57/19/952475719.db2.gz ANCZAZNTZRQHBJ-TUAOUCFPSA-N -1 1 375.458 0.990 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575196662 952476843 /nfs/dbraw/zinc/47/68/43/952476843.db2.gz IHNAJRUJMLMOLK-CHWSQXEVSA-N -1 1 382.428 0.953 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](n2ccnn2)CC1 ZINC001571117034 952479651 /nfs/dbraw/zinc/47/96/51/952479651.db2.gz GDONFDAALRVVOG-LLVKDONJSA-N -1 1 375.418 0.269 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](n2ccnn2)CC1 ZINC001571117034 952479654 /nfs/dbraw/zinc/47/96/54/952479654.db2.gz GDONFDAALRVVOG-LLVKDONJSA-N -1 1 375.418 0.269 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197622 952486182 /nfs/dbraw/zinc/48/61/82/952486182.db2.gz XSSJOVRLTUVMFQ-HIFPTAJRSA-N -1 1 382.428 0.857 20 0 GCADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)C2CCOCC2)c1-c1nn[n-]n1 ZINC001571118572 952488758 /nfs/dbraw/zinc/48/87/58/952488758.db2.gz XGBTVTFQRWCRFM-RYUDHWBXSA-N -1 1 375.458 0.848 20 0 GCADMM O=C(CS(=O)(=O)CCCc1ccccc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571118727 952489350 /nfs/dbraw/zinc/48/93/50/952489350.db2.gz ZIWAHNMPCHNEGM-UHFFFAOYSA-N -1 1 375.414 0.576 20 0 GCADMM O=C(CS(=O)(=O)CCCc1ccccc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571118727 952489357 /nfs/dbraw/zinc/48/93/57/952489357.db2.gz ZIWAHNMPCHNEGM-UHFFFAOYSA-N -1 1 375.414 0.576 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC001571119781 952493511 /nfs/dbraw/zinc/49/35/11/952493511.db2.gz FPQPBLJJHGXOLC-CMPLNLGQSA-N -1 1 376.421 0.747 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC001571119781 952493516 /nfs/dbraw/zinc/49/35/16/952493516.db2.gz FPQPBLJJHGXOLC-CMPLNLGQSA-N -1 1 376.421 0.747 20 0 GCADMM CC1(C)C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 ZINC001571119609 952493862 /nfs/dbraw/zinc/49/38/62/952493862.db2.gz DLTZQVLITGJBFG-SNVBAGLBSA-N -1 1 376.421 0.570 20 0 GCADMM CC1(C)C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCO1 ZINC001571119609 952493865 /nfs/dbraw/zinc/49/38/65/952493865.db2.gz DLTZQVLITGJBFG-SNVBAGLBSA-N -1 1 376.421 0.570 20 0 GCADMM O=C(N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)[C@@]1(F)CCOC1 ZINC001571119874 952495526 /nfs/dbraw/zinc/49/55/26/952495526.db2.gz GYOLKCJDQKTDMX-MEDUHNTESA-N -1 1 376.396 0.578 20 0 GCADMM O=C(N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)[C@@]1(F)CCOC1 ZINC001571119874 952495532 /nfs/dbraw/zinc/49/55/32/952495532.db2.gz GYOLKCJDQKTDMX-MEDUHNTESA-N -1 1 376.396 0.578 20 0 GCADMM C[C@@H](Cc1cccs1)N(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575200612 952496724 /nfs/dbraw/zinc/49/67/24/952496724.db2.gz DFVVYHCRNABKPX-JTQLQIEISA-N -1 1 389.441 0.670 20 0 GCADMM O=C(C1CC(F)(F)C1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571120159 952500359 /nfs/dbraw/zinc/50/03/59/952500359.db2.gz IGDJFYASZPGQOC-PHIMTYICSA-N -1 1 376.371 0.882 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001571120392 952502436 /nfs/dbraw/zinc/50/24/36/952502436.db2.gz MCDIKGXLANGGJF-MRXNPFEDSA-N -1 1 376.396 0.578 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001571120392 952502441 /nfs/dbraw/zinc/50/24/41/952502441.db2.gz MCDIKGXLANGGJF-MRXNPFEDSA-N -1 1 376.396 0.578 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001571120404 952503876 /nfs/dbraw/zinc/50/38/76/952503876.db2.gz MMXVGLDWIJAZGV-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM O=C(C1CC(F)(F)C1)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571120788 952508224 /nfs/dbraw/zinc/50/82/24/952508224.db2.gz QBASPHKJQHBWOM-PHIMTYICSA-N -1 1 376.371 0.597 20 0 GCADMM O=C(C1CC(F)(F)C1)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571120788 952508230 /nfs/dbraw/zinc/50/82/30/952508230.db2.gz QBASPHKJQHBWOM-PHIMTYICSA-N -1 1 376.371 0.597 20 0 GCADMM C[C@@H](Cc1cccs1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575202056 952509630 /nfs/dbraw/zinc/50/96/30/952509630.db2.gz MXCQASJESXEBNH-VIFPVBQESA-N -1 1 375.414 0.328 20 0 GCADMM CNS(=O)(=O)Cc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001571120866 952510242 /nfs/dbraw/zinc/51/02/42/952510242.db2.gz RYCPUBVAMWXCNQ-UHFFFAOYSA-N -1 1 376.398 0.439 20 0 GCADMM CNS(=O)(=O)Cc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001571120866 952510251 /nfs/dbraw/zinc/51/02/51/952510251.db2.gz RYCPUBVAMWXCNQ-UHFFFAOYSA-N -1 1 376.398 0.439 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575202008 952510474 /nfs/dbraw/zinc/51/04/74/952510474.db2.gz LQAYSGBDDYAILR-MUYACECFSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(Cl)no1 ZINC001571120951 952511891 /nfs/dbraw/zinc/51/18/91/952511891.db2.gz SGGUZMHIGACETQ-JGVFFNPUSA-N -1 1 375.780 0.435 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC001571121066 952514270 /nfs/dbraw/zinc/51/42/70/952514270.db2.gz VVDFRJCUZBETCB-WCQYABFASA-N -1 1 376.417 0.125 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@@H]1CCC1(F)F ZINC001571121208 952516085 /nfs/dbraw/zinc/51/60/85/952516085.db2.gz YELLACWTLYRZPY-MMWGEVLESA-N -1 1 376.371 0.500 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CCC1(F)F ZINC001571121208 952516103 /nfs/dbraw/zinc/51/61/03/952516103.db2.gz YELLACWTLYRZPY-MMWGEVLESA-N -1 1 376.371 0.500 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(C(F)F)n[nH]1 ZINC001571121237 952518000 /nfs/dbraw/zinc/51/80/00/952518000.db2.gz YWRZLJPCYIDRJW-SSDOTTSWSA-N -1 1 376.331 0.326 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(C(F)F)n[nH]1 ZINC001571121237 952518005 /nfs/dbraw/zinc/51/80/05/952518005.db2.gz YWRZLJPCYIDRJW-SSDOTTSWSA-N -1 1 376.331 0.326 20 0 GCADMM C[C@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571121281 952518278 /nfs/dbraw/zinc/51/82/78/952518278.db2.gz ZTOCRYQLGQPMAM-CBAPKCEASA-N -1 1 375.780 0.871 20 0 GCADMM C[C@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571121281 952518284 /nfs/dbraw/zinc/51/82/84/952518284.db2.gz ZTOCRYQLGQPMAM-CBAPKCEASA-N -1 1 375.780 0.871 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575203070 952518478 /nfs/dbraw/zinc/51/84/78/952518478.db2.gz ZMKBJLMWUKSPPR-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575203070 952518484 /nfs/dbraw/zinc/51/84/84/952518484.db2.gz ZMKBJLMWUKSPPR-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571121333 952519437 /nfs/dbraw/zinc/51/94/37/952519437.db2.gz YOXVTHIAETUJLG-BDJLRTHQSA-N -1 1 376.396 0.070 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575205677 952525839 /nfs/dbraw/zinc/52/58/39/952525839.db2.gz BWBHRVZMZIWITK-NWDGAFQWSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575205677 952525844 /nfs/dbraw/zinc/52/58/44/952525844.db2.gz BWBHRVZMZIWITK-NWDGAFQWSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575206373 952529777 /nfs/dbraw/zinc/52/97/77/952529777.db2.gz JDRJVJRBSFYZMU-RTXFEEFZSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575206373 952529781 /nfs/dbraw/zinc/52/97/81/952529781.db2.gz JDRJVJRBSFYZMU-RTXFEEFZSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575207508 952533172 /nfs/dbraw/zinc/53/31/72/952533172.db2.gz QOOQUEDKODYHBT-LALPHHSUSA-N -1 1 396.459 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575207508 952533175 /nfs/dbraw/zinc/53/31/75/952533175.db2.gz QOOQUEDKODYHBT-LALPHHSUSA-N -1 1 396.459 0.210 20 0 GCADMM COC(=O)[C@@H](Cc1cncs1)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001571124638 952542280 /nfs/dbraw/zinc/54/22/80/952542280.db2.gz PZBNDFIRGZVCLM-SNVBAGLBSA-N -1 1 377.386 0.063 20 0 GCADMM COC(=O)[C@@H](Cc1cncs1)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001571124638 952542285 /nfs/dbraw/zinc/54/22/85/952542285.db2.gz PZBNDFIRGZVCLM-SNVBAGLBSA-N -1 1 377.386 0.063 20 0 GCADMM O=C(N1CCOC[C@H]1c1nn[n-]n1)C(F)(F)c1ccccc1-c1nn[nH]n1 ZINC001571124737 952544072 /nfs/dbraw/zinc/54/40/72/952544072.db2.gz SREIVXRGNYZYQW-JTQLQIEISA-N -1 1 377.315 0.072 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1(c2cccnc2)CC1 ZINC001571126969 952547974 /nfs/dbraw/zinc/54/79/74/952547974.db2.gz AVWNCKDNGODRJY-ZDUSSCGKSA-N -1 1 377.412 0.478 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1(c2cccnc2)CC1 ZINC001571126969 952547977 /nfs/dbraw/zinc/54/79/77/952547977.db2.gz AVWNCKDNGODRJY-ZDUSSCGKSA-N -1 1 377.412 0.478 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)c1cccnc1 ZINC001571127058 952548987 /nfs/dbraw/zinc/54/89/87/952548987.db2.gz DRVUCDFZZAPHGF-YUTCNCBUSA-N -1 1 377.412 0.839 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571127075 952550290 /nfs/dbraw/zinc/55/02/90/952550290.db2.gz FISQGBCVJQLBID-OLZOCXBDSA-N -1 1 377.412 0.480 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571127075 952550294 /nfs/dbraw/zinc/55/02/94/952550294.db2.gz FISQGBCVJQLBID-OLZOCXBDSA-N -1 1 377.412 0.480 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccncc1 ZINC001571127116 952550560 /nfs/dbraw/zinc/55/05/60/952550560.db2.gz GLZFUBTURLRADH-KDOFPFPSSA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccncc1 ZINC001571127116 952550562 /nfs/dbraw/zinc/55/05/62/952550562.db2.gz GLZFUBTURLRADH-KDOFPFPSSA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1scnc1Cl ZINC001571127226 952551100 /nfs/dbraw/zinc/55/11/00/952551100.db2.gz BWMNGJBFUCZYRP-ZETCQYMHSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1scnc1Cl ZINC001571127226 952551104 /nfs/dbraw/zinc/55/11/04/952551104.db2.gz BWMNGJBFUCZYRP-ZETCQYMHSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2cccnc21 ZINC001571127279 952552664 /nfs/dbraw/zinc/55/26/64/952552664.db2.gz ILAXEOQWNMHOKN-CHWSQXEVSA-N -1 1 377.412 0.477 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)c3cnns3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571127332 952553626 /nfs/dbraw/zinc/55/36/26/952553626.db2.gz DIOMCRNXSUZPBK-SFYZADRCSA-N -1 1 377.459 0.880 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571127443 952554980 /nfs/dbraw/zinc/55/49/80/952554980.db2.gz JGMYFZLTDIQDLC-XDQVBPFNSA-N -1 1 377.412 0.336 20 0 GCADMM Cc1nsc(N2CC[C@](C)(NC(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571127586 952558212 /nfs/dbraw/zinc/55/82/12/952558212.db2.gz JGMGFDIIMORAGC-ZDUSSCGKSA-N -1 1 377.459 0.882 20 0 GCADMM O=C([C@@H]1CCc2cccnc21)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571127742 952559607 /nfs/dbraw/zinc/55/96/07/952559607.db2.gz MLJMRWXECPNTPB-CYBMUJFWSA-N -1 1 377.412 0.430 20 0 GCADMM O=C([C@@H]1CCc2cccnc21)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571127742 952559611 /nfs/dbraw/zinc/55/96/11/952559611.db2.gz MLJMRWXECPNTPB-CYBMUJFWSA-N -1 1 377.412 0.430 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001575214174 952562631 /nfs/dbraw/zinc/56/26/31/952562631.db2.gz JWMCQAAABHDNBH-NXEZZACHSA-N -1 1 382.375 0.004 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575214174 952562638 /nfs/dbraw/zinc/56/26/38/952562638.db2.gz JWMCQAAABHDNBH-NXEZZACHSA-N -1 1 382.375 0.004 20 0 GCADMM O=C(c1cccnc1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571128198 952564783 /nfs/dbraw/zinc/56/47/83/952564783.db2.gz QKKLPCBQMCZMAG-OKILXGFUSA-N -1 1 377.412 0.935 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571128153 952564786 /nfs/dbraw/zinc/56/47/86/952564786.db2.gz PDGRCVGGMVSFLL-NXEZZACHSA-N -1 1 377.430 0.598 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575214485 952565612 /nfs/dbraw/zinc/56/56/12/952565612.db2.gz LIMALTJVVDFBHC-UHFFFAOYSA-N -1 1 384.391 0.571 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575214485 952565621 /nfs/dbraw/zinc/56/56/21/952565621.db2.gz LIMALTJVVDFBHC-UHFFFAOYSA-N -1 1 384.391 0.571 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571128457 952566792 /nfs/dbraw/zinc/56/67/92/952566792.db2.gz SZHIPNMVWQHTBD-RFQIPJPRSA-N -1 1 377.412 0.336 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCc2cccnc21 ZINC001571128528 952568151 /nfs/dbraw/zinc/56/81/51/952568151.db2.gz VYYZSZPBZJSHRR-XQQFMLRXSA-N -1 1 377.412 0.841 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCc2cccnc21 ZINC001571128528 952568158 /nfs/dbraw/zinc/56/81/58/952568158.db2.gz VYYZSZPBZJSHRR-XQQFMLRXSA-N -1 1 377.412 0.841 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001571128870 952570893 /nfs/dbraw/zinc/57/08/93/952570893.db2.gz XJWYMKCCIINCKG-AGUYFDCRSA-N -1 1 377.412 0.982 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001571128870 952570897 /nfs/dbraw/zinc/57/08/97/952570897.db2.gz XJWYMKCCIINCKG-AGUYFDCRSA-N -1 1 377.412 0.982 20 0 GCADMM C[C@]12CN(C(=O)Nc3ccnc(-c4nnn[n-]4)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001571129001 952572305 /nfs/dbraw/zinc/57/23/05/952572305.db2.gz YWGYNAAPHFKZRA-GASCZTMLSA-N -1 1 377.430 0.550 20 0 GCADMM C[C@]12CN(C(=O)Nc3ccnc(-c4nn[n-]n4)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001571129001 952572306 /nfs/dbraw/zinc/57/23/06/952572306.db2.gz YWGYNAAPHFKZRA-GASCZTMLSA-N -1 1 377.430 0.550 20 0 GCADMM CC1(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001571129469 952574062 /nfs/dbraw/zinc/57/40/62/952574062.db2.gz DIFHJSZACSLXBY-SNVBAGLBSA-N -1 1 378.387 0.917 20 0 GCADMM CC(C)OC(=O)N1CCC(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001571130757 952581496 /nfs/dbraw/zinc/58/14/96/952581496.db2.gz WRQBPFHWSKFKKX-UHFFFAOYSA-N -1 1 378.393 0.087 20 0 GCADMM O=C([C@H]1CCC1(F)F)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571130681 952582018 /nfs/dbraw/zinc/58/20/18/952582018.db2.gz UJBZHCAAKJBXDK-GHMZBOCLSA-N -1 1 378.387 0.917 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)c1cncnc1 ZINC001571135803 952608937 /nfs/dbraw/zinc/60/89/37/952608937.db2.gz FAAKXJOMUYKCRS-YHWZYXNKSA-N -1 1 378.400 0.377 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)c1cncnc1 ZINC001571135803 952608939 /nfs/dbraw/zinc/60/89/39/952608939.db2.gz FAAKXJOMUYKCRS-YHWZYXNKSA-N -1 1 378.400 0.377 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1COc2ccccc21 ZINC001571135905 952610323 /nfs/dbraw/zinc/61/03/23/952610323.db2.gz HMOMTUZYVOKMDS-NQBHXWOUSA-N -1 1 378.396 0.892 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1COc2ccccc21 ZINC001571135905 952610325 /nfs/dbraw/zinc/61/03/25/952610325.db2.gz HMOMTUZYVOKMDS-NQBHXWOUSA-N -1 1 378.396 0.892 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccc2c1OCC2 ZINC001571135944 952610814 /nfs/dbraw/zinc/61/08/14/952610814.db2.gz IXNFUGZAILAQRI-LBPRGKRZSA-N -1 1 378.396 0.600 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccc2c1OCC2 ZINC001571135944 952610818 /nfs/dbraw/zinc/61/08/18/952610818.db2.gz IXNFUGZAILAQRI-LBPRGKRZSA-N -1 1 378.396 0.600 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571135955 952611230 /nfs/dbraw/zinc/61/12/30/952611230.db2.gz JCUDUFDHKUGDEN-SWHYSGLUSA-N -1 1 378.400 0.295 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571135955 952611233 /nfs/dbraw/zinc/61/12/33/952611233.db2.gz JCUDUFDHKUGDEN-SWHYSGLUSA-N -1 1 378.400 0.295 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)cnn1 ZINC001571136025 952612069 /nfs/dbraw/zinc/61/20/69/952612069.db2.gz KWTUOFTUGVOKPW-AGIUHOORSA-N -1 1 378.400 0.295 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)cnn1 ZINC001571136025 952612073 /nfs/dbraw/zinc/61/20/73/952612073.db2.gz KWTUOFTUGVOKPW-AGIUHOORSA-N -1 1 378.400 0.295 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001571136347 952612751 /nfs/dbraw/zinc/61/27/51/952612751.db2.gz OPWMNPSIWHXNRW-YOGCLGLASA-N -1 1 378.400 0.377 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001571136347 952612755 /nfs/dbraw/zinc/61/27/55/952612755.db2.gz OPWMNPSIWHXNRW-YOGCLGLASA-N -1 1 378.400 0.377 20 0 GCADMM O=C(c1ccnnc1)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571136134 952612936 /nfs/dbraw/zinc/61/29/36/952612936.db2.gz MUVXQHSRYTZZKP-OLZOCXBDSA-N -1 1 378.400 0.188 20 0 GCADMM C[C@]12CN(C(=O)c3cnccn3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571136793 952616410 /nfs/dbraw/zinc/61/64/10/952616410.db2.gz WBYSLUWERUODLC-DIFFPNOSSA-N -1 1 378.400 0.045 20 0 GCADMM C[C@]12CN(C(=O)c3cnccn3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571136793 952616412 /nfs/dbraw/zinc/61/64/12/952616412.db2.gz WBYSLUWERUODLC-DIFFPNOSSA-N -1 1 378.400 0.045 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccnc(C2CC2)n1 ZINC001571136953 952617605 /nfs/dbraw/zinc/61/76/05/952617605.db2.gz YDDBMXJEJZKSQA-LLVKDONJSA-N -1 1 378.400 0.333 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccnc(C2CC2)n1 ZINC001571136953 952617608 /nfs/dbraw/zinc/61/76/08/952617608.db2.gz YDDBMXJEJZKSQA-LLVKDONJSA-N -1 1 378.400 0.333 20 0 GCADMM Cc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)no1 ZINC001571139573 952621596 /nfs/dbraw/zinc/62/15/96/952621596.db2.gz ITBJWKXKTMIFGZ-SECBINFHSA-N -1 1 379.377 0.875 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)c1cnco1 ZINC001571142802 952646425 /nfs/dbraw/zinc/64/64/25/952646425.db2.gz ZDCHGZLQELBEMY-BDINMYNLSA-N -1 1 378.805 0.829 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cc2c([nH]1)CCCC2 ZINC001571146277 952647826 /nfs/dbraw/zinc/64/78/26/952647826.db2.gz FNCUNNFPAQZVFT-LBPRGKRZSA-N -1 1 379.428 0.872 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cc2c([nH]1)CCCC2 ZINC001571146277 952647830 /nfs/dbraw/zinc/64/78/30/952647830.db2.gz FNCUNNFPAQZVFT-LBPRGKRZSA-N -1 1 379.428 0.872 20 0 GCADMM O=C(CCn1cccc1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571146368 952649446 /nfs/dbraw/zinc/64/94/46/952649446.db2.gz GWKVFQDLJJRDIK-UONOGXRCSA-N -1 1 379.428 0.586 20 0 GCADMM O=C(CCn1cccc1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571146368 952649451 /nfs/dbraw/zinc/64/94/51/952649451.db2.gz GWKVFQDLJJRDIK-UONOGXRCSA-N -1 1 379.428 0.586 20 0 GCADMM O=C(Cc1ccc[nH]1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001571146741 952652337 /nfs/dbraw/zinc/65/23/37/952652337.db2.gz MHPBLGYVXDQFHN-UBHSHLNASA-N -1 1 379.428 0.701 20 0 GCADMM O=C(Cc1ccc[nH]1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001571146741 952652338 /nfs/dbraw/zinc/65/23/38/952652338.db2.gz MHPBLGYVXDQFHN-UBHSHLNASA-N -1 1 379.428 0.701 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)c1 ZINC001571146816 952652915 /nfs/dbraw/zinc/65/29/15/952652915.db2.gz MYHGRUFNNFIWSJ-AWEZNQCLSA-N -1 1 379.428 0.784 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)c1 ZINC001571146816 952652918 /nfs/dbraw/zinc/65/29/18/952652918.db2.gz MYHGRUFNNFIWSJ-AWEZNQCLSA-N -1 1 379.428 0.784 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571146841 952653422 /nfs/dbraw/zinc/65/34/22/952653422.db2.gz NSFRZJQQYVBBBA-CQSZACIVSA-N -1 1 379.428 0.945 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571146841 952653424 /nfs/dbraw/zinc/65/34/24/952653424.db2.gz NSFRZJQQYVBBBA-CQSZACIVSA-N -1 1 379.428 0.945 20 0 GCADMM Cn1cccc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571146882 952654459 /nfs/dbraw/zinc/65/44/59/952654459.db2.gz OSYXUKHRUNPCAT-YHWZYXNKSA-N -1 1 379.428 0.925 20 0 GCADMM Cn1cccc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571146882 952654462 /nfs/dbraw/zinc/65/44/62/952654462.db2.gz OSYXUKHRUNPCAT-YHWZYXNKSA-N -1 1 379.428 0.925 20 0 GCADMM CN(C(=O)Cc1cccnc1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571146995 952655408 /nfs/dbraw/zinc/65/54/08/952655408.db2.gz FZFKJUQYXALEIT-UHFFFAOYSA-N -1 1 379.428 0.722 20 0 GCADMM CN(C(=O)Cc1cccnc1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571146995 952655413 /nfs/dbraw/zinc/65/54/13/952655413.db2.gz FZFKJUQYXALEIT-UHFFFAOYSA-N -1 1 379.428 0.722 20 0 GCADMM O=C(CCc1cccnc1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571147063 952656013 /nfs/dbraw/zinc/65/60/13/952656013.db2.gz RTEGMWFYIJHLHL-AWEZNQCLSA-N -1 1 379.428 0.945 20 0 GCADMM O=C(CCc1cccnc1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571147063 952656023 /nfs/dbraw/zinc/65/60/23/952656023.db2.gz RTEGMWFYIJHLHL-AWEZNQCLSA-N -1 1 379.428 0.945 20 0 GCADMM Cc1ncccc1CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571147310 952659591 /nfs/dbraw/zinc/65/95/91/952659591.db2.gz XBDYRKPMAVWPRR-ZDUSSCGKSA-N -1 1 379.428 0.863 20 0 GCADMM Cc1ncccc1CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571147310 952659596 /nfs/dbraw/zinc/65/95/96/952659596.db2.gz XBDYRKPMAVWPRR-ZDUSSCGKSA-N -1 1 379.428 0.863 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)c3ccncc3)C2)n1 ZINC001571147523 952662370 /nfs/dbraw/zinc/66/23/70/952662370.db2.gz NALNPUATSVFWIN-ZDUSSCGKSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)c3ccncc3)C2)n1 ZINC001571147523 952662374 /nfs/dbraw/zinc/66/23/74/952662374.db2.gz NALNPUATSVFWIN-ZDUSSCGKSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1ccc(CC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571147870 952664778 /nfs/dbraw/zinc/66/47/78/952664778.db2.gz RGIBRNMTVJTVGD-OKILXGFUSA-N -1 1 379.428 0.916 20 0 GCADMM CCc1ccc(CC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571147870 952664782 /nfs/dbraw/zinc/66/47/82/952664782.db2.gz RGIBRNMTVJTVGD-OKILXGFUSA-N -1 1 379.428 0.916 20 0 GCADMM CCc1cncc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571148445 952667167 /nfs/dbraw/zinc/66/71/67/952667167.db2.gz ZRAYCRNTRCHVKY-CQSZACIVSA-N -1 1 379.428 0.965 20 0 GCADMM C[C@@H](Sc1nc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cs1)C(N)=O ZINC001571151404 952674384 /nfs/dbraw/zinc/67/43/84/952674384.db2.gz PYMBTGUQQCSMNC-RXMQYKEDSA-N -1 1 379.431 0.193 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571152009 952680187 /nfs/dbraw/zinc/68/01/87/952680187.db2.gz BCWLOYSVSRQQFG-SSDOTTSWSA-N -1 1 379.837 0.637 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571152009 952680190 /nfs/dbraw/zinc/68/01/90/952680190.db2.gz BCWLOYSVSRQQFG-SSDOTTSWSA-N -1 1 379.837 0.637 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571152274 952682439 /nfs/dbraw/zinc/68/24/39/952682439.db2.gz GSIXXRWXMXCCOD-UHFFFAOYSA-N -1 1 379.837 0.971 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571152274 952682441 /nfs/dbraw/zinc/68/24/41/952682441.db2.gz GSIXXRWXMXCCOD-UHFFFAOYSA-N -1 1 379.837 0.971 20 0 GCADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571153330 952684834 /nfs/dbraw/zinc/68/48/34/952684834.db2.gz OFIIHIUESAKTQX-GUBZILKMSA-N -1 1 380.359 0.197 20 0 GCADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571153330 952684836 /nfs/dbraw/zinc/68/48/36/952684836.db2.gz OFIIHIUESAKTQX-GUBZILKMSA-N -1 1 380.359 0.197 20 0 GCADMM O=C(N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1(C(F)F)CC1 ZINC001571153374 952686084 /nfs/dbraw/zinc/68/60/84/952686084.db2.gz QAWQGYTWPRCPMN-SECBINFHSA-N -1 1 380.359 0.341 20 0 GCADMM O=C(N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1(C(F)F)CC1 ZINC001571153374 952686086 /nfs/dbraw/zinc/68/60/86/952686086.db2.gz QAWQGYTWPRCPMN-SECBINFHSA-N -1 1 380.359 0.341 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)c1ccco1 ZINC001571154780 952690458 /nfs/dbraw/zinc/69/04/58/952690458.db2.gz BDTRDFQSWAJHSQ-RWMBFGLXSA-N -1 1 380.412 0.948 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)c1ccco1 ZINC001571154780 952690463 /nfs/dbraw/zinc/69/04/63/952690463.db2.gz BDTRDFQSWAJHSQ-RWMBFGLXSA-N -1 1 380.412 0.948 20 0 GCADMM C[C@H]1CN(C(=O)COc2ccccc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571155183 952693972 /nfs/dbraw/zinc/69/39/72/952693972.db2.gz JXJMXNOLSXDURT-WFASDCNBSA-N -1 1 380.412 0.995 20 0 GCADMM C[C@H]1CN(C(=O)COc2ccccc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571155183 952693977 /nfs/dbraw/zinc/69/39/77/952693977.db2.gz JXJMXNOLSXDURT-WFASDCNBSA-N -1 1 380.412 0.995 20 0 GCADMM Cc1ccc(CC(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)cn1 ZINC001571156607 952701966 /nfs/dbraw/zinc/70/19/66/952701966.db2.gz DVIYNUHMYICMNP-OCCSQVGLSA-N -1 1 379.428 0.686 20 0 GCADMM Cc1ccc(CC(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)cn1 ZINC001571156607 952701968 /nfs/dbraw/zinc/70/19/68/952701968.db2.gz DVIYNUHMYICMNP-OCCSQVGLSA-N -1 1 379.428 0.686 20 0 GCADMM Cc1cnccc1C(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571156708 952703930 /nfs/dbraw/zinc/70/39/30/952703930.db2.gz HLBRKGVSXSMXDD-OLZOCXBDSA-N -1 1 379.428 0.935 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)o1 ZINC001571157921 952708111 /nfs/dbraw/zinc/70/81/11/952708111.db2.gz CTGRRWLBWRHQFU-BETUJISGSA-N -1 1 380.412 0.695 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571158141 952710035 /nfs/dbraw/zinc/71/00/35/952710035.db2.gz SCNVNCDETNPYON-BXUZGUMPSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571158141 952710041 /nfs/dbraw/zinc/71/00/41/952710041.db2.gz SCNVNCDETNPYON-BXUZGUMPSA-N -1 1 379.428 0.862 20 0 GCADMM COc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)cc1 ZINC001571158515 952712293 /nfs/dbraw/zinc/71/22/93/952712293.db2.gz KGCMMCRFPXMCFP-BXUZGUMPSA-N -1 1 380.412 0.802 20 0 GCADMM Cc1cccc(OCC(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571158651 952713411 /nfs/dbraw/zinc/71/34/11/952713411.db2.gz LOBXVAIORQFTOM-UHFFFAOYSA-N -1 1 380.412 0.693 20 0 GCADMM Cc1cccc(OCC(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571158651 952713414 /nfs/dbraw/zinc/71/34/14/952713414.db2.gz LOBXVAIORQFTOM-UHFFFAOYSA-N -1 1 380.412 0.693 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)C[C@H]32)o1 ZINC001571158665 952713941 /nfs/dbraw/zinc/71/39/41/952713941.db2.gz LYLBJRNUCYRCND-VIKVFOODSA-N -1 1 380.412 0.660 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)C[C@H]32)o1 ZINC001571158665 952713944 /nfs/dbraw/zinc/71/39/44/952713944.db2.gz LYLBJRNUCYRCND-VIKVFOODSA-N -1 1 380.412 0.660 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001571159223 952717771 /nfs/dbraw/zinc/71/77/71/952717771.db2.gz RBVMHQMGYWXLCF-ZIAGYGMSSA-N -1 1 380.412 0.599 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001571159223 952717775 /nfs/dbraw/zinc/71/77/75/952717775.db2.gz RBVMHQMGYWXLCF-ZIAGYGMSSA-N -1 1 380.412 0.599 20 0 GCADMM Cc1ccn(C)c1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571159694 952721070 /nfs/dbraw/zinc/72/10/70/952721070.db2.gz VTJMDKMPIVVNFG-XYYAHUGASA-N -1 1 379.428 0.416 20 0 GCADMM Cc1ccn(C)c1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571159694 952721077 /nfs/dbraw/zinc/72/10/77/952721077.db2.gz VTJMDKMPIVVNFG-XYYAHUGASA-N -1 1 379.428 0.416 20 0 GCADMM O=C(Cc1ccoc1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571160788 952728429 /nfs/dbraw/zinc/72/84/29/952728429.db2.gz LZUWURGWWOXTER-UONOGXRCSA-N -1 1 380.412 0.920 20 0 GCADMM Cc1ccnc(N2CCN(C(=O)c3[nH]c(=O)c(-c4nn[n-]n4)cc3C)CC2)c1 ZINC001571161031 952729279 /nfs/dbraw/zinc/72/92/79/952729279.db2.gz PBCFZEZOSSZXRE-UHFFFAOYSA-N -1 1 380.412 0.942 20 0 GCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(CN2CCOCC2)cn1 ZINC001571161028 952729318 /nfs/dbraw/zinc/72/93/18/952729318.db2.gz OYIZCYFGMSUDRS-UHFFFAOYSA-N -1 1 380.412 0.670 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C1C=CC=CC=C1 ZINC001571161283 952732180 /nfs/dbraw/zinc/73/21/80/952732180.db2.gz UFOMIZZZBQRLPI-DZGCQCFKSA-N -1 1 380.412 0.011 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C1C=CC=CC=C1 ZINC001571161283 952732182 /nfs/dbraw/zinc/73/21/82/952732182.db2.gz UFOMIZZZBQRLPI-DZGCQCFKSA-N -1 1 380.412 0.011 20 0 GCADMM O=C(Cc1ccoc1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571161438 952732572 /nfs/dbraw/zinc/73/25/72/952732572.db2.gz VQSKKTUCCVCVLE-IHRRRGAJSA-N -1 1 380.412 0.966 20 0 GCADMM O=C(Cc1ccoc1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571161438 952732575 /nfs/dbraw/zinc/73/25/75/952732575.db2.gz VQSKKTUCCVCVLE-IHRRRGAJSA-N -1 1 380.412 0.966 20 0 GCADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571161649 952734462 /nfs/dbraw/zinc/73/44/62/952734462.db2.gz ZTFPDXCIPMXIQX-FIYWTHMPSA-N -1 1 380.412 0.782 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571161851 952735205 /nfs/dbraw/zinc/73/52/05/952735205.db2.gz CDHKONMLZJMTRS-UONOGXRCSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571161851 952735209 /nfs/dbraw/zinc/73/52/09/952735209.db2.gz CDHKONMLZJMTRS-UONOGXRCSA-N -1 1 380.416 0.572 20 0 GCADMM CCc1nnc(C)cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571161799 952735255 /nfs/dbraw/zinc/73/52/55/952735255.db2.gz AVGCRUBQJBPWBO-LLVKDONJSA-N -1 1 380.416 0.644 20 0 GCADMM CCc1nnc(C)cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571161799 952735261 /nfs/dbraw/zinc/73/52/61/952735261.db2.gz AVGCRUBQJBPWBO-LLVKDONJSA-N -1 1 380.416 0.644 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571161865 952735373 /nfs/dbraw/zinc/73/53/73/952735373.db2.gz CNVWFTJLGDUCBF-LLVKDONJSA-N -1 1 380.416 0.726 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571161865 952735377 /nfs/dbraw/zinc/73/53/77/952735377.db2.gz CNVWFTJLGDUCBF-LLVKDONJSA-N -1 1 380.416 0.726 20 0 GCADMM CN(C)c1ccnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571161816 952735428 /nfs/dbraw/zinc/73/54/28/952735428.db2.gz BEQRRFNOJDTMLG-LLVKDONJSA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1ccnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571161816 952735431 /nfs/dbraw/zinc/73/54/31/952735431.db2.gz BEQRRFNOJDTMLG-LLVKDONJSA-N -1 1 380.416 0.444 20 0 GCADMM Cc1cc(C(=O)NC2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)ncn1 ZINC001571161833 952735706 /nfs/dbraw/zinc/73/57/06/952735706.db2.gz BPAGMIGVVYDIJV-UHFFFAOYSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)NC2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)ncn1 ZINC001571161833 952735707 /nfs/dbraw/zinc/73/57/07/952735707.db2.gz BPAGMIGVVYDIJV-UHFFFAOYSA-N -1 1 380.416 0.462 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccnnc2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571161948 952736057 /nfs/dbraw/zinc/73/60/57/952736057.db2.gz FXDHOVRSUXXRCU-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccnnc2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571161948 952736062 /nfs/dbraw/zinc/73/60/62/952736062.db2.gz FXDHOVRSUXXRCU-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571161942 952736119 /nfs/dbraw/zinc/73/61/19/952736119.db2.gz FTWQHHMCFCPOAI-CMPLNLGQSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571161942 952736125 /nfs/dbraw/zinc/73/61/25/952736125.db2.gz FTWQHHMCFCPOAI-CMPLNLGQSA-N -1 1 380.416 0.575 20 0 GCADMM CCc1nnc(C)cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162028 952737104 /nfs/dbraw/zinc/73/71/04/952737104.db2.gz ICTWZCGKOBTECL-LLVKDONJSA-N -1 1 380.416 0.326 20 0 GCADMM CCc1cc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c(C)nn1 ZINC001571162008 952737373 /nfs/dbraw/zinc/73/73/73/952737373.db2.gz HIZTXUJHVIVWLS-UHFFFAOYSA-N -1 1 380.416 0.280 20 0 GCADMM CCc1cc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c(C)nn1 ZINC001571162008 952737379 /nfs/dbraw/zinc/73/73/79/952737379.db2.gz HIZTXUJHVIVWLS-UHFFFAOYSA-N -1 1 380.416 0.280 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571162072 952738366 /nfs/dbraw/zinc/73/83/66/952738366.db2.gz JGEVQMNJHNYJED-RYUDHWBXSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571162072 952738373 /nfs/dbraw/zinc/73/83/73/952738373.db2.gz JGEVQMNJHNYJED-RYUDHWBXSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571162076 952738974 /nfs/dbraw/zinc/73/89/74/952738974.db2.gz JIGFSTSDJNNFCJ-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571162076 952738976 /nfs/dbraw/zinc/73/89/76/952738976.db2.gz JIGFSTSDJNNFCJ-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)ncn1 ZINC001571162147 952739638 /nfs/dbraw/zinc/73/96/38/952739638.db2.gz LYGDRXNYTPJHTL-VXGBXAGGSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)ncn1 ZINC001571162147 952739641 /nfs/dbraw/zinc/73/96/41/952739641.db2.gz LYGDRXNYTPJHTL-VXGBXAGGSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3ncccn3)[C@@H]2C)n1 ZINC001571162192 952739832 /nfs/dbraw/zinc/73/98/32/952739832.db2.gz NKTOFZJXVMYWGV-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3ncccn3)[C@@H]2C)n1 ZINC001571162192 952739836 /nfs/dbraw/zinc/73/98/36/952739836.db2.gz NKTOFZJXVMYWGV-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)CCc2cncnc2)C1 ZINC001571162167 952739916 /nfs/dbraw/zinc/73/99/16/952739916.db2.gz MPCUQNPIWSTTIG-CYBMUJFWSA-N -1 1 380.416 0.117 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CCc2cncnc2)C1 ZINC001571162167 952739919 /nfs/dbraw/zinc/73/99/19/952739919.db2.gz MPCUQNPIWSTTIG-CYBMUJFWSA-N -1 1 380.416 0.117 20 0 GCADMM Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571162220 952740657 /nfs/dbraw/zinc/74/06/57/952740657.db2.gz OBKGDIRYLCOENG-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571162220 952740664 /nfs/dbraw/zinc/74/06/64/952740664.db2.gz OBKGDIRYLCOENG-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2ccnnc2C)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571162217 952741210 /nfs/dbraw/zinc/74/12/10/952741210.db2.gz OAUZTTWWLMUFRO-QWHCGFSZSA-N -1 1 380.416 0.542 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2ccnnc2C)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571162217 952741212 /nfs/dbraw/zinc/74/12/12/952741212.db2.gz OAUZTTWWLMUFRO-QWHCGFSZSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@@H]2NC(=O)c2ncccn2)n1 ZINC001571162247 952741329 /nfs/dbraw/zinc/74/13/29/952741329.db2.gz OQBUMWIUGRSLDY-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@@H]2NC(=O)c2ncccn2)n1 ZINC001571162247 952741334 /nfs/dbraw/zinc/74/13/34/952741334.db2.gz OQBUMWIUGRSLDY-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cnccn3)[C@H](C)C2)n1 ZINC001571162292 952741666 /nfs/dbraw/zinc/74/16/66/952741666.db2.gz PRMCBZWMHIUEQE-VXGBXAGGSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cnccn3)[C@H](C)C2)n1 ZINC001571162292 952741668 /nfs/dbraw/zinc/74/16/68/952741668.db2.gz PRMCBZWMHIUEQE-VXGBXAGGSA-N -1 1 380.416 0.860 20 0 GCADMM CCN(C(=O)c1cc(C)ncn1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571162351 952741721 /nfs/dbraw/zinc/74/17/21/952741721.db2.gz REHRDSTVXCJOJF-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1cc(C)ncn1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571162351 952741724 /nfs/dbraw/zinc/74/17/24/952741724.db2.gz REHRDSTVXCJOJF-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM CN(CC1CCN(C(=O)c2ccnnc2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571162302 952741880 /nfs/dbraw/zinc/74/18/80/952741880.db2.gz PWCMIKVEQOBKOY-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM CN(CC1CCN(C(=O)c2ccnnc2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571162302 952741883 /nfs/dbraw/zinc/74/18/83/952741883.db2.gz PWCMIKVEQOBKOY-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571162297 952741955 /nfs/dbraw/zinc/74/19/55/952741955.db2.gz PUHUGRGDHCKXHH-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571162297 952741958 /nfs/dbraw/zinc/74/19/58/952741958.db2.gz PUHUGRGDHCKXHH-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571162312 952742169 /nfs/dbraw/zinc/74/21/69/952742169.db2.gz QBRWKOKHUPSYOJ-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571162312 952742175 /nfs/dbraw/zinc/74/21/75/952742175.db2.gz QBRWKOKHUPSYOJ-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)c1ccnnc1 ZINC001571162411 952742956 /nfs/dbraw/zinc/74/29/56/952742956.db2.gz SYHVOWMNVHYONY-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)c1ccnnc1 ZINC001571162411 952742959 /nfs/dbraw/zinc/74/29/59/952742959.db2.gz SYHVOWMNVHYONY-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM CN(C(=O)c1cccnn1)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571162368 952743051 /nfs/dbraw/zinc/74/30/51/952743051.db2.gz RYJFROAPFXJDRB-UHFFFAOYSA-N -1 1 380.416 0.942 20 0 GCADMM CN(C(=O)c1cccnn1)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571162368 952743057 /nfs/dbraw/zinc/74/30/57/952743057.db2.gz RYJFROAPFXJDRB-UHFFFAOYSA-N -1 1 380.416 0.942 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571162374 952743262 /nfs/dbraw/zinc/74/32/62/952743262.db2.gz SGXRPNFQQZMZCA-LBPRGKRZSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571162374 952743265 /nfs/dbraw/zinc/74/32/65/952743265.db2.gz SGXRPNFQQZMZCA-LBPRGKRZSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]2C)n1 ZINC001571162399 952743273 /nfs/dbraw/zinc/74/32/73/952743273.db2.gz STDGZLPDPNHDNG-CMPLNLGQSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]2C)n1 ZINC001571162399 952743277 /nfs/dbraw/zinc/74/32/77/952743277.db2.gz STDGZLPDPNHDNG-CMPLNLGQSA-N -1 1 380.416 0.718 20 0 GCADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ccnnc2)CC1 ZINC001571162372 952743447 /nfs/dbraw/zinc/74/34/47/952743447.db2.gz SEMDEORUFUGSMN-UHFFFAOYSA-N -1 1 380.416 0.944 20 0 GCADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ccnnc2)CC1 ZINC001571162372 952743451 /nfs/dbraw/zinc/74/34/51/952743451.db2.gz SEMDEORUFUGSMN-UHFFFAOYSA-N -1 1 380.416 0.944 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)c1cccnn1 ZINC001571162442 952743998 /nfs/dbraw/zinc/74/39/98/952743998.db2.gz UMEWQUIXBOOSQN-SMDDNHRTSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)c1cccnn1 ZINC001571162442 952744002 /nfs/dbraw/zinc/74/40/02/952744002.db2.gz UMEWQUIXBOOSQN-SMDDNHRTSA-N -1 1 380.416 0.942 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)c3ccncn3)CC2)n1 ZINC001571162612 952744056 /nfs/dbraw/zinc/74/40/56/952744056.db2.gz WDQJEQIDIDVJPW-UHFFFAOYSA-N -1 1 380.416 0.408 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)c3ccncn3)CC2)n1 ZINC001571162612 952744060 /nfs/dbraw/zinc/74/40/60/952744060.db2.gz WDQJEQIDIDVJPW-UHFFFAOYSA-N -1 1 380.416 0.408 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)c1C ZINC001571162590 952744317 /nfs/dbraw/zinc/74/43/17/952744317.db2.gz VZGOOJVYTPIENT-RYUDHWBXSA-N -1 1 380.416 0.285 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)c1C ZINC001571162590 952744323 /nfs/dbraw/zinc/74/43/23/952744323.db2.gz VZGOOJVYTPIENT-RYUDHWBXSA-N -1 1 380.416 0.285 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571162610 952744355 /nfs/dbraw/zinc/74/43/55/952744355.db2.gz WBSJINYGORBTGK-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571162610 952744359 /nfs/dbraw/zinc/74/43/59/952744359.db2.gz WBSJINYGORBTGK-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571162447 952744391 /nfs/dbraw/zinc/74/43/91/952744391.db2.gz UOMXJXPKDZIUBE-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571162447 952744397 /nfs/dbraw/zinc/74/43/97/952744397.db2.gz UOMXJXPKDZIUBE-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)ncn1 ZINC001571162462 952744455 /nfs/dbraw/zinc/74/44/55/952744455.db2.gz USHUSFXYECNSJU-VXGBXAGGSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)ncn1 ZINC001571162462 952744460 /nfs/dbraw/zinc/74/44/60/952744460.db2.gz USHUSFXYECNSJU-VXGBXAGGSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571162680 952745051 /nfs/dbraw/zinc/74/50/51/952745051.db2.gz XTRYGQUEZZDJTD-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571162680 952745055 /nfs/dbraw/zinc/74/50/55/952745055.db2.gz XTRYGQUEZZDJTD-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571162627 952745210 /nfs/dbraw/zinc/74/52/10/952745210.db2.gz WNESVLPVXYFQAQ-GFCCVEGCSA-N -1 1 380.416 0.126 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571162627 952745213 /nfs/dbraw/zinc/74/52/13/952745213.db2.gz WNESVLPVXYFQAQ-GFCCVEGCSA-N -1 1 380.416 0.126 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)n1 ZINC001571162661 952745604 /nfs/dbraw/zinc/74/56/04/952745604.db2.gz XJQXPUJNPPQPPR-SRVKXCTJSA-N -1 1 380.416 0.476 20 0 GCADMM CCc1nc(NCC2CC(NC(=O)c3ncccn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571162725 952746062 /nfs/dbraw/zinc/74/60/62/952746062.db2.gz YMPDJEGNKAWQBC-UHFFFAOYSA-N -1 1 380.416 0.630 20 0 GCADMM CCc1nc(NCC2CC(NC(=O)c3ncccn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571162725 952746067 /nfs/dbraw/zinc/74/60/67/952746067.db2.gz YMPDJEGNKAWQBC-UHFFFAOYSA-N -1 1 380.416 0.630 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162760 952746221 /nfs/dbraw/zinc/74/62/21/952746221.db2.gz ZOWYYGXQQASBLK-LLVKDONJSA-N -1 1 380.416 0.726 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162760 952746223 /nfs/dbraw/zinc/74/62/23/952746223.db2.gz ZOWYYGXQQASBLK-LLVKDONJSA-N -1 1 380.416 0.726 20 0 GCADMM Cc1nccc(C(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571164996 952746327 /nfs/dbraw/zinc/74/63/27/952746327.db2.gz AMUWQVIAFYDNKP-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1nccc(C(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571164996 952746331 /nfs/dbraw/zinc/74/63/31/952746331.db2.gz AMUWQVIAFYDNKP-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571162774 952746612 /nfs/dbraw/zinc/74/66/12/952746612.db2.gz ZWRJWPHKPYEYRS-RYUDHWBXSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571162774 952746620 /nfs/dbraw/zinc/74/66/20/952746620.db2.gz ZWRJWPHKPYEYRS-RYUDHWBXSA-N -1 1 380.416 0.429 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cn2c(n1)CCC2 ZINC001571165026 952746883 /nfs/dbraw/zinc/74/68/83/952746883.db2.gz BBMLVERATALGJQ-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cn2c(n1)CCC2 ZINC001571165026 952746887 /nfs/dbraw/zinc/74/68/87/952746887.db2.gz BBMLVERATALGJQ-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)[nH]1 ZINC001571165061 952747019 /nfs/dbraw/zinc/74/70/19/952747019.db2.gz BRJULMSNHMDQBM-TUAOUCFPSA-N -1 1 380.416 0.476 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)n1 ZINC001571165159 952747958 /nfs/dbraw/zinc/74/79/58/952747958.db2.gz DLOBDYOFOWTGFX-CMPLNLGQSA-N -1 1 380.416 0.282 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001571165194 952748030 /nfs/dbraw/zinc/74/80/30/952748030.db2.gz FPYGVBHEFQSIRS-NEPJUHHUSA-N -1 1 380.416 0.269 20 0 GCADMM Cn1cnc(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)c1 ZINC001571165183 952748170 /nfs/dbraw/zinc/74/81/70/952748170.db2.gz FFEBLOILCBVXTE-UHFFFAOYSA-N -1 1 380.416 0.543 20 0 GCADMM Cn1cnc(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)c1 ZINC001571165183 952748176 /nfs/dbraw/zinc/74/81/76/952748176.db2.gz FFEBLOILCBVXTE-UHFFFAOYSA-N -1 1 380.416 0.543 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC001571165162 952748653 /nfs/dbraw/zinc/74/86/53/952748653.db2.gz DLOBDYOFOWTGFX-ZYHUDNBSSA-N -1 1 380.416 0.282 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)n1 ZINC001571165250 952749400 /nfs/dbraw/zinc/74/94/00/952749400.db2.gz GZQHCDSVTULQLO-JQWIXIFHSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)n1 ZINC001571165250 952749403 /nfs/dbraw/zinc/74/94/03/952749403.db2.gz GZQHCDSVTULQLO-JQWIXIFHSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571165456 952750379 /nfs/dbraw/zinc/75/03/79/952750379.db2.gz HGHQRWJTUUBZMG-DYVFJYSZSA-N -1 1 380.416 0.240 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571165456 952750387 /nfs/dbraw/zinc/75/03/87/952750387.db2.gz HGHQRWJTUUBZMG-DYVFJYSZSA-N -1 1 380.416 0.240 20 0 GCADMM O=C(CCc1cnccn1)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571165512 952751756 /nfs/dbraw/zinc/75/17/56/952751756.db2.gz ITBPTJVESQPPMR-UHFFFAOYSA-N -1 1 380.416 0.118 20 0 GCADMM O=C(CCc1cnccn1)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571165512 952751759 /nfs/dbraw/zinc/75/17/59/952751759.db2.gz ITBPTJVESQPPMR-UHFFFAOYSA-N -1 1 380.416 0.118 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571165770 952755060 /nfs/dbraw/zinc/75/50/60/952755060.db2.gz KARRGMPNJBQHDA-KBPBESRZSA-N -1 1 380.416 0.274 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571165770 952755064 /nfs/dbraw/zinc/75/50/64/952755064.db2.gz KARRGMPNJBQHDA-KBPBESRZSA-N -1 1 380.416 0.274 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC001571165828 952755140 /nfs/dbraw/zinc/75/51/40/952755140.db2.gz LSIOAGJPIIEPQE-NEPJUHHUSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC001571165828 952755141 /nfs/dbraw/zinc/75/51/41/952755141.db2.gz LSIOAGJPIIEPQE-NEPJUHHUSA-N -1 1 380.416 0.860 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571166071 952756807 /nfs/dbraw/zinc/75/68/07/952756807.db2.gz NBBGPKKKCLRJGW-GMTAPVOTSA-N -1 1 380.416 0.559 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571166071 952756810 /nfs/dbraw/zinc/75/68/10/952756810.db2.gz NBBGPKKKCLRJGW-GMTAPVOTSA-N -1 1 380.416 0.559 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn2c1CCCC2 ZINC001571166137 952758663 /nfs/dbraw/zinc/75/86/63/952758663.db2.gz OOLIGESKTTVYBX-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn2c1CCCC2 ZINC001571166137 952758666 /nfs/dbraw/zinc/75/86/66/952758666.db2.gz OOLIGESKTTVYBX-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(CCc1cncnc1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571166111 952758984 /nfs/dbraw/zinc/75/89/84/952758984.db2.gz NZWWGTPMZSFVTJ-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cncnc1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571166111 952758988 /nfs/dbraw/zinc/75/89/88/952758988.db2.gz NZWWGTPMZSFVTJ-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571166176 952759027 /nfs/dbraw/zinc/75/90/27/952759027.db2.gz PIYYTXKMUQGOON-CMPLNLGQSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571166176 952759031 /nfs/dbraw/zinc/75/90/31/952759031.db2.gz PIYYTXKMUQGOON-CMPLNLGQSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ncc(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nn[n-]n4)cn2)C3)[nH]1 ZINC001571166380 952761009 /nfs/dbraw/zinc/76/10/09/952761009.db2.gz RFEVDMJAXYBAIP-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001571166456 952761581 /nfs/dbraw/zinc/76/15/81/952761581.db2.gz RXMVLMRZRXNSST-OLZOCXBDSA-N -1 1 380.416 0.393 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166456 952761589 /nfs/dbraw/zinc/76/15/89/952761589.db2.gz RXMVLMRZRXNSST-OLZOCXBDSA-N -1 1 380.416 0.393 20 0 GCADMM Cc1cnc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)cn1 ZINC001571166517 952761644 /nfs/dbraw/zinc/76/16/44/952761644.db2.gz SUSRFQSFUPDCNR-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cnc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)cn1 ZINC001571166517 952761649 /nfs/dbraw/zinc/76/16/49/952761649.db2.gz SUSRFQSFUPDCNR-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C2CC2)n1 ZINC001571166443 952762101 /nfs/dbraw/zinc/76/21/01/952762101.db2.gz RQDLTEFITGEOMC-LLVKDONJSA-N -1 1 380.416 0.276 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C2CC2)n1 ZINC001571166443 952762105 /nfs/dbraw/zinc/76/21/05/952762105.db2.gz RQDLTEFITGEOMC-LLVKDONJSA-N -1 1 380.416 0.276 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c(C)n1 ZINC001571166449 952762143 /nfs/dbraw/zinc/76/21/43/952762143.db2.gz RUDWYRCOFXLYKC-GFCCVEGCSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c(C)n1 ZINC001571166449 952762146 /nfs/dbraw/zinc/76/21/46/952762146.db2.gz RUDWYRCOFXLYKC-GFCCVEGCSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1ncncc1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571166585 952763446 /nfs/dbraw/zinc/76/34/46/952763446.db2.gz TZKSQHKCSYKRSU-LBPRGKRZSA-N -1 1 380.416 0.544 20 0 GCADMM O=C(c1cnc2n1CCC2)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571166711 952764049 /nfs/dbraw/zinc/76/40/49/952764049.db2.gz ONMLYJJQJQTGBW-UHFFFAOYSA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cnc2n1CCC2)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571166711 952764053 /nfs/dbraw/zinc/76/40/53/952764053.db2.gz ONMLYJJQJQTGBW-UHFFFAOYSA-N -1 1 380.416 0.516 20 0 GCADMM O=C([C@H]1CCc2cncn2C1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166751 952764115 /nfs/dbraw/zinc/76/41/15/952764115.db2.gz VJUDBNYKXLSWAU-NWDGAFQWSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@H]1CCc2cncn2C1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166751 952764122 /nfs/dbraw/zinc/76/41/22/952764122.db2.gz VJUDBNYKXLSWAU-NWDGAFQWSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@@H]1CCc2cncn2C1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166754 952764720 /nfs/dbraw/zinc/76/47/20/952764720.db2.gz VJUDBNYKXLSWAU-VXGBXAGGSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@@H]1CCc2cncn2C1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166754 952764725 /nfs/dbraw/zinc/76/47/25/952764725.db2.gz VJUDBNYKXLSWAU-VXGBXAGGSA-N -1 1 380.416 0.129 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571166845 952766286 /nfs/dbraw/zinc/76/62/86/952766286.db2.gz XUMVRZNQPYEURN-JTQLQIEISA-N -1 1 380.416 0.253 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571166846 952767020 /nfs/dbraw/zinc/76/70/20/952767020.db2.gz XUMVRZNQPYEURN-SNVBAGLBSA-N -1 1 380.416 0.253 20 0 GCADMM COC[C@@]1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC001571167155 952770341 /nfs/dbraw/zinc/77/03/41/952770341.db2.gz WQOBWHQXKNOZII-HNNXBMFYSA-N -1 1 380.430 0.160 20 0 GCADMM CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571169978 952782028 /nfs/dbraw/zinc/78/20/28/952782028.db2.gz BIGSZMBHWOVXNO-SCVCMEIPSA-N -1 1 381.400 0.747 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571170169 952783816 /nfs/dbraw/zinc/78/38/16/952783816.db2.gz FANBVMCVNIAKPM-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571170169 952783818 /nfs/dbraw/zinc/78/38/18/952783818.db2.gz FANBVMCVNIAKPM-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571170377 952784881 /nfs/dbraw/zinc/78/48/81/952784881.db2.gz IEMNCIODDRSTMZ-KRWDZBQOSA-N -1 1 381.400 0.722 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571170377 952784884 /nfs/dbraw/zinc/78/48/84/952784884.db2.gz IEMNCIODDRSTMZ-KRWDZBQOSA-N -1 1 381.400 0.722 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1cncc(F)c1 ZINC001571170652 952788046 /nfs/dbraw/zinc/78/80/46/952788046.db2.gz KDHKMEMAYCIIHD-BZPMIXESSA-N -1 1 381.375 0.731 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1cncc(F)c1 ZINC001571170652 952788047 /nfs/dbraw/zinc/78/80/47/952788047.db2.gz KDHKMEMAYCIIHD-BZPMIXESSA-N -1 1 381.375 0.731 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@H](c1ccccc1)C1CC1 ZINC001571171272 952791887 /nfs/dbraw/zinc/79/18/87/952791887.db2.gz QOKOURHOBBGZGK-CYBMUJFWSA-N -1 1 381.396 0.439 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1cncc(F)c1 ZINC001571171309 952793006 /nfs/dbraw/zinc/79/30/06/952793006.db2.gz QTIIPPZBLGCXNA-UPJWGTAASA-N -1 1 381.375 0.731 20 0 GCADMM Cn1nncc1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571171707 952795690 /nfs/dbraw/zinc/79/56/90/952795690.db2.gz DMNHPBZRAMJTEU-ZCFIWIBFSA-N -1 1 380.825 0.432 20 0 GCADMM Cn1nncc1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571171707 952795693 /nfs/dbraw/zinc/79/56/93/952795693.db2.gz DMNHPBZRAMJTEU-ZCFIWIBFSA-N -1 1 380.825 0.432 20 0 GCADMM Cc1cccc2c1CCC[C@@H]2NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571171659 952796074 /nfs/dbraw/zinc/79/60/74/952796074.db2.gz VHKAAYUXPRVNQP-AWEZNQCLSA-N -1 1 381.396 0.631 20 0 GCADMM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171654 952796260 /nfs/dbraw/zinc/79/62/60/952796260.db2.gz VBUOZBKWHBFANW-GHMZBOCLSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571171654 952796263 /nfs/dbraw/zinc/79/62/63/952796263.db2.gz VBUOZBKWHBFANW-GHMZBOCLSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571171822 952797884 /nfs/dbraw/zinc/79/78/84/952797884.db2.gz XHYZDDGGFUIARF-ZYHUDNBSSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571171822 952797886 /nfs/dbraw/zinc/79/78/86/952797886.db2.gz XHYZDDGGFUIARF-ZYHUDNBSSA-N -1 1 381.400 0.720 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172150 952803027 /nfs/dbraw/zinc/80/30/27/952803027.db2.gz NZNKPFIPJDIIGJ-QMMMGPOBSA-N -1 1 380.821 0.902 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571172150 952803034 /nfs/dbraw/zinc/80/30/34/952803034.db2.gz NZNKPFIPJDIIGJ-QMMMGPOBSA-N -1 1 380.821 0.902 20 0 GCADMM O=C(c1cn[nH]n1)N1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571172396 952806818 /nfs/dbraw/zinc/80/68/18/952806818.db2.gz UWCWHMRGEDTBFS-UHFFFAOYSA-N -1 1 380.825 0.447 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cc(C4CC4)no3)C2)n1 ZINC001571174599 952810715 /nfs/dbraw/zinc/81/07/15/952810715.db2.gz BLLNGGKURWAQAY-NSHDSACASA-N -1 1 381.400 0.839 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cc(C4CC4)no3)C2)n1 ZINC001571174599 952810721 /nfs/dbraw/zinc/81/07/21/952810721.db2.gz BLLNGGKURWAQAY-NSHDSACASA-N -1 1 381.400 0.839 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)n1 ZINC001571174604 952811061 /nfs/dbraw/zinc/81/10/61/952811061.db2.gz BQXCCLDMBGNUDU-LLVKDONJSA-N -1 1 381.400 0.701 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)n1 ZINC001571174604 952811073 /nfs/dbraw/zinc/81/10/73/952811073.db2.gz BQXCCLDMBGNUDU-LLVKDONJSA-N -1 1 381.400 0.701 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)c4cocn4)C[C@@H]3C2)n1 ZINC001571174638 952811160 /nfs/dbraw/zinc/81/11/60/952811160.db2.gz COHDKVFQSZJJLB-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)c4cocn4)C[C@@H]3C2)n1 ZINC001571174638 952811171 /nfs/dbraw/zinc/81/11/71/952811171.db2.gz COHDKVFQSZJJLB-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)c(=O)[nH]1 ZINC001571174630 952811710 /nfs/dbraw/zinc/81/17/10/952811710.db2.gz CHMJFOMKLYFHCH-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)c(=O)[nH]1 ZINC001571174630 952811717 /nfs/dbraw/zinc/81/17/17/952811717.db2.gz CHMJFOMKLYFHCH-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])c1ccc(-c2nn[nH]n2)nn1 ZINC001571174693 952812343 /nfs/dbraw/zinc/81/23/43/952812343.db2.gz FINBMTIEVPRUSY-LLVKDONJSA-N -1 1 381.400 0.498 20 0 GCADMM COc1cccnc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571174737 952812601 /nfs/dbraw/zinc/81/26/01/952812601.db2.gz GSZZPMYIRDZDIN-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccnc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571174737 952812606 /nfs/dbraw/zinc/81/26/06/952812606.db2.gz GSZZPMYIRDZDIN-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571174697 952812883 /nfs/dbraw/zinc/81/28/83/952812883.db2.gz FJRJSYVGNDNGAQ-GFCCVEGCSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571174697 952812888 /nfs/dbraw/zinc/81/28/88/952812888.db2.gz FJRJSYVGNDNGAQ-GFCCVEGCSA-N -1 1 381.400 0.459 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)on1 ZINC001571174707 952813016 /nfs/dbraw/zinc/81/30/16/952813016.db2.gz FXXKJUXYPHBJTI-WCQYABFASA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)on1 ZINC001571174707 952813020 /nfs/dbraw/zinc/81/30/20/952813020.db2.gz FXXKJUXYPHBJTI-WCQYABFASA-N -1 1 381.400 0.694 20 0 GCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001571174759 952814247 /nfs/dbraw/zinc/81/42/47/952814247.db2.gz HNMGARKBGMHXBR-MWLCHTKSSA-N -1 1 381.400 0.777 20 0 GCADMM CN(C(=O)c1cnoc1C1CC1)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174796 952814539 /nfs/dbraw/zinc/81/45/39/952814539.db2.gz IJNHRETXRADPLR-UHFFFAOYSA-N -1 1 381.400 0.659 20 0 GCADMM COc1ccc(CC(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001571174740 952814556 /nfs/dbraw/zinc/81/45/56/952814556.db2.gz GWZQZAGRJVUFPM-HAQNSBGRSA-N -1 1 381.400 0.362 20 0 GCADMM COc1ccc(CC(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001571174740 952814561 /nfs/dbraw/zinc/81/45/61/952814561.db2.gz GWZQZAGRJVUFPM-HAQNSBGRSA-N -1 1 381.400 0.362 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571174771 952814583 /nfs/dbraw/zinc/81/45/83/952814583.db2.gz HVNYGVQLKLJACA-GFCCVEGCSA-N -1 1 381.400 0.498 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571174771 952814589 /nfs/dbraw/zinc/81/45/89/952814589.db2.gz HVNYGVQLKLJACA-GFCCVEGCSA-N -1 1 381.400 0.498 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccon2)n1 ZINC001571174896 952815156 /nfs/dbraw/zinc/81/51/56/952815156.db2.gz LWPGGPMKVMDICW-UONOGXRCSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccon2)n1 ZINC001571174896 952815163 /nfs/dbraw/zinc/81/51/63/952815163.db2.gz LWPGGPMKVMDICW-UONOGXRCSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nnn[n-]4)n2)C3)no1 ZINC001571174887 952815487 /nfs/dbraw/zinc/81/54/87/952815487.db2.gz LRVILCQSEPAMIA-GTNSWQLSSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nn[n-]n4)n2)C3)no1 ZINC001571174887 952815492 /nfs/dbraw/zinc/81/54/92/952815492.db2.gz LRVILCQSEPAMIA-GTNSWQLSSA-N -1 1 381.400 0.742 20 0 GCADMM COc1cc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)ccn1 ZINC001571174938 952816673 /nfs/dbraw/zinc/81/66/73/952816673.db2.gz NQDGNSKLCSGYIV-CMPLNLGQSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)ccn1 ZINC001571174938 952816683 /nfs/dbraw/zinc/81/66/83/952816683.db2.gz NQDGNSKLCSGYIV-CMPLNLGQSA-N -1 1 381.400 0.633 20 0 GCADMM COCc1cncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571175069 952817395 /nfs/dbraw/zinc/81/73/95/952817395.db2.gz ONJUOEQUGBHZRR-CYBMUJFWSA-N -1 1 381.400 0.207 20 0 GCADMM COCc1cncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571175069 952817401 /nfs/dbraw/zinc/81/74/01/952817401.db2.gz ONJUOEQUGBHZRR-CYBMUJFWSA-N -1 1 381.400 0.207 20 0 GCADMM COc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571175265 952819443 /nfs/dbraw/zinc/81/94/43/952819443.db2.gz RHNLOZRVPYHYSB-LBPRGKRZSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571175265 952819449 /nfs/dbraw/zinc/81/94/49/952819449.db2.gz RHNLOZRVPYHYSB-LBPRGKRZSA-N -1 1 381.400 0.459 20 0 GCADMM O=C(NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001571175376 952820465 /nfs/dbraw/zinc/82/04/65/952820465.db2.gz BNKYHWIMOSCSKN-LLVKDONJSA-N -1 1 381.400 0.404 20 0 GCADMM O=C(NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cc[nH]c(=O)c1 ZINC001571175376 952820470 /nfs/dbraw/zinc/82/04/70/952820470.db2.gz BNKYHWIMOSCSKN-LLVKDONJSA-N -1 1 381.400 0.404 20 0 GCADMM COc1cccnc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571175393 952820536 /nfs/dbraw/zinc/82/05/36/952820536.db2.gz UOPJESXMJARGTA-GHMZBOCLSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccnc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571175393 952820541 /nfs/dbraw/zinc/82/05/41/952820541.db2.gz UOPJESXMJARGTA-GHMZBOCLSA-N -1 1 381.400 0.633 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(=O)[nH]1 ZINC001571175388 952821262 /nfs/dbraw/zinc/82/12/62/952821262.db2.gz BUMPZPKPYIWDPT-WDEREUQCSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(=O)[nH]1 ZINC001571175388 952821266 /nfs/dbraw/zinc/82/12/66/952821266.db2.gz BUMPZPKPYIWDPT-WDEREUQCSA-N -1 1 381.400 0.768 20 0 GCADMM Cc1nc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)c(C)o1 ZINC001571175675 952823689 /nfs/dbraw/zinc/82/36/89/952823689.db2.gz DVXGWUISBYURLU-TXEJJXNPSA-N -1 1 381.400 0.470 20 0 GCADMM Cc1nc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)c(C)o1 ZINC001571175675 952823695 /nfs/dbraw/zinc/82/36/95/952823695.db2.gz DVXGWUISBYURLU-TXEJJXNPSA-N -1 1 381.400 0.470 20 0 GCADMM O=C(Cc1cc(C2CC2)no1)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571175734 952824560 /nfs/dbraw/zinc/82/45/60/952824560.db2.gz GRMHKSVVBKBTHT-NSHDSACASA-N -1 1 381.400 0.460 20 0 GCADMM O=C(N[C@H]1CCC[C@H]1CNc1cnc(-c2nn[nH]n2)cn1)c1ncccc1[O-] ZINC001571176151 952829649 /nfs/dbraw/zinc/82/96/49/952829649.db2.gz MSTBBXXUILJDBJ-QWRGUYRKSA-N -1 1 381.400 0.768 20 0 GCADMM Cc1cnoc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571176176 952829750 /nfs/dbraw/zinc/82/97/50/952829750.db2.gz NMQIGNSAVMAGGB-TUAOUCFPSA-N -1 1 381.400 0.740 20 0 GCADMM Cc1cnoc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571176176 952829754 /nfs/dbraw/zinc/82/97/54/952829754.db2.gz NMQIGNSAVMAGGB-TUAOUCFPSA-N -1 1 381.400 0.740 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571176486 952832248 /nfs/dbraw/zinc/83/22/48/952832248.db2.gz RRQIRGAGSLPYEX-CYBMUJFWSA-N -1 1 381.400 0.363 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571176486 952832257 /nfs/dbraw/zinc/83/22/57/952832257.db2.gz RRQIRGAGSLPYEX-CYBMUJFWSA-N -1 1 381.400 0.363 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1coc(CC2CC2)n1 ZINC001571176916 952836630 /nfs/dbraw/zinc/83/66/30/952836630.db2.gz ZOHBYHVDMXKRSX-LLVKDONJSA-N -1 1 381.400 0.606 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1coc(CC2CC2)n1 ZINC001571176916 952836636 /nfs/dbraw/zinc/83/66/36/952836636.db2.gz ZOHBYHVDMXKRSX-LLVKDONJSA-N -1 1 381.400 0.606 20 0 GCADMM O=C(c1ocnc1C1CC1)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178361 952838962 /nfs/dbraw/zinc/83/89/62/952838962.db2.gz GPSXPBSLVUYPER-JTQLQIEISA-N -1 1 381.400 0.518 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2nccnc2N)CC1 ZINC001571178394 952840704 /nfs/dbraw/zinc/84/07/04/952840704.db2.gz HMQZMRFLVMTPFB-UHFFFAOYSA-N -1 1 381.404 0.136 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2nccnc2N)CC1 ZINC001571178394 952840708 /nfs/dbraw/zinc/84/07/08/952840708.db2.gz HMQZMRFLVMTPFB-UHFFFAOYSA-N -1 1 381.404 0.136 20 0 GCADMM COc1ccc([C@@H](O)CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001571182679 952867397 /nfs/dbraw/zinc/86/73/97/952867397.db2.gz BJWPSOXUJYKUQW-NSHDSACASA-N -1 1 381.439 0.949 20 0 GCADMM Cc1c(C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571185265 952900736 /nfs/dbraw/zinc/90/07/36/952900736.db2.gz KGCBEEWYQSWEBP-CYBMUJFWSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1c(C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571185265 952900738 /nfs/dbraw/zinc/90/07/38/952900738.db2.gz KGCBEEWYQSWEBP-CYBMUJFWSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)c(C)[nH]1 ZINC001571185487 952902375 /nfs/dbraw/zinc/90/23/75/952902375.db2.gz MGPVKNVYYARKGC-ZWNOBZJWSA-N -1 1 381.444 0.844 20 0 GCADMM Cc1c[nH]cc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571186655 952907455 /nfs/dbraw/zinc/90/74/55/952907455.db2.gz ZJECGZACLLMEQM-CHWSQXEVSA-N -1 1 381.444 0.925 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571188353 952913347 /nfs/dbraw/zinc/91/33/47/952913347.db2.gz JEVJZLXYLJIXHT-GOSISDBHSA-N -1 1 381.444 0.690 20 0 GCADMM COc1cncc(C(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571194042 952956861 /nfs/dbraw/zinc/95/68/61/952956861.db2.gz HMOBJANFSLGYCI-JOYOIKCWSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cncc(C(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571194042 952956866 /nfs/dbraw/zinc/95/68/66/952956866.db2.gz HMOBJANFSLGYCI-JOYOIKCWSA-N -1 1 382.388 0.028 20 0 GCADMM COc1ncc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)cn1 ZINC001571194229 952959187 /nfs/dbraw/zinc/95/91/87/952959187.db2.gz JZXDSKHKHNXBTE-ONGXEEELSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ncc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)cn1 ZINC001571194229 952959195 /nfs/dbraw/zinc/95/91/95/952959195.db2.gz JZXDSKHKHNXBTE-ONGXEEELSA-N -1 1 382.388 0.170 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571194220 952959593 /nfs/dbraw/zinc/95/95/93/952959593.db2.gz JTQIUFAPKAKDED-ONGXEEELSA-N -1 1 382.388 0.258 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571194220 952959597 /nfs/dbraw/zinc/95/95/97/952959597.db2.gz JTQIUFAPKAKDED-ONGXEEELSA-N -1 1 382.388 0.258 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194271 952961172 /nfs/dbraw/zinc/96/11/72/952961172.db2.gz KXKUQXVCEVNARP-UHFFFAOYSA-N -1 1 382.388 0.081 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194271 952961175 /nfs/dbraw/zinc/96/11/75/952961175.db2.gz KXKUQXVCEVNARP-UHFFFAOYSA-N -1 1 382.388 0.081 20 0 GCADMM COc1ccc([C@@H]2[C@@H](C(=O)Nc3n[nH]cc3-c3nnn[n-]3)CC(=O)N2C)cc1 ZINC001571194417 952962174 /nfs/dbraw/zinc/96/21/74/952962174.db2.gz LVAHVPSVXDKQEY-SMDDNHRTSA-N -1 1 382.384 0.757 20 0 GCADMM COc1ccc([C@@H]2[C@@H](C(=O)Nc3n[nH]cc3-c3nn[n-]n3)CC(=O)N2C)cc1 ZINC001571194417 952962176 /nfs/dbraw/zinc/96/21/76/952962176.db2.gz LVAHVPSVXDKQEY-SMDDNHRTSA-N -1 1 382.384 0.757 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571194570 952964583 /nfs/dbraw/zinc/96/45/83/952964583.db2.gz OYYPWEAFLCUNLK-MGCOHNPYSA-N -1 1 382.388 0.081 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571194570 952964586 /nfs/dbraw/zinc/96/45/86/952964586.db2.gz OYYPWEAFLCUNLK-MGCOHNPYSA-N -1 1 382.388 0.081 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571194608 952966059 /nfs/dbraw/zinc/96/60/59/952966059.db2.gz QBUREZHPQATNEP-SNVBAGLBSA-N -1 1 382.388 0.117 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571194608 952966062 /nfs/dbraw/zinc/96/60/62/952966062.db2.gz QBUREZHPQATNEP-SNVBAGLBSA-N -1 1 382.388 0.117 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571194803 952967758 /nfs/dbraw/zinc/96/77/58/952967758.db2.gz TZXWEETYANVYRJ-WPRPVWTQSA-N -1 1 382.388 0.176 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571194803 952967765 /nfs/dbraw/zinc/96/77/65/952967765.db2.gz TZXWEETYANVYRJ-WPRPVWTQSA-N -1 1 382.388 0.176 20 0 GCADMM COc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)nc1 ZINC001571195161 952975107 /nfs/dbraw/zinc/97/51/07/952975107.db2.gz YMDXCOXXGXGGJY-ONGXEEELSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)nc1 ZINC001571195161 952975111 /nfs/dbraw/zinc/97/51/11/952975111.db2.gz YMDXCOXXGXGGJY-ONGXEEELSA-N -1 1 382.388 0.170 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)Cc3cccc(F)c3)CC2)n1 ZINC001571196090 952980570 /nfs/dbraw/zinc/98/05/70/952980570.db2.gz HGUCORJLAHXJNP-UHFFFAOYSA-N -1 1 382.403 0.996 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)Cc3cccc(F)c3)CC2)n1 ZINC001571196090 952980574 /nfs/dbraw/zinc/98/05/74/952980574.db2.gz HGUCORJLAHXJNP-UHFFFAOYSA-N -1 1 382.403 0.996 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cc1cccc(F)c1 ZINC001571196476 952981737 /nfs/dbraw/zinc/98/17/37/952981737.db2.gz KZXKGQDUZYFROK-BXUZGUMPSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cc1cccc(F)c1 ZINC001571196477 952981908 /nfs/dbraw/zinc/98/19/08/952981908.db2.gz KZXKGQDUZYFROK-FZMZJTMJSA-N -1 1 382.403 0.862 20 0 GCADMM Cc1ccc(F)c(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571196498 952982920 /nfs/dbraw/zinc/98/29/20/952982920.db2.gz LJHRMVLPWJQVDP-ZDUSSCGKSA-N -1 1 382.403 0.782 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571201144 953014959 /nfs/dbraw/zinc/01/49/59/953014959.db2.gz NUVMQPKTMOJQHH-QYGFGANXSA-N -1 1 382.428 0.165 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571201144 953014964 /nfs/dbraw/zinc/01/49/64/953014964.db2.gz NUVMQPKTMOJQHH-QYGFGANXSA-N -1 1 382.428 0.165 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)Cc3ncc[nH]3)C2)n1 ZINC001571204523 953030619 /nfs/dbraw/zinc/03/06/19/953030619.db2.gz ABRINGTZOCEXSE-LLVKDONJSA-N -1 1 382.432 0.222 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)Cc3ncc[nH]3)C2)n1 ZINC001571204523 953030623 /nfs/dbraw/zinc/03/06/23/953030623.db2.gz ABRINGTZOCEXSE-LLVKDONJSA-N -1 1 382.432 0.222 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001571204642 953031240 /nfs/dbraw/zinc/03/12/40/953031240.db2.gz ATRDEPGWVMDNGQ-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001571204642 953031243 /nfs/dbraw/zinc/03/12/43/953031243.db2.gz ATRDEPGWVMDNGQ-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCn1cccn1 ZINC001571204823 953032875 /nfs/dbraw/zinc/03/28/75/953032875.db2.gz CEFVAGZZZAFTFU-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCn1cccn1 ZINC001571204823 953032880 /nfs/dbraw/zinc/03/28/80/953032880.db2.gz CEFVAGZZZAFTFU-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001571204902 953033318 /nfs/dbraw/zinc/03/33/18/953033318.db2.gz FMSXQQYIFNNRFC-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001571204902 953033324 /nfs/dbraw/zinc/03/33/24/953033324.db2.gz FMSXQQYIFNNRFC-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001571204904 953034144 /nfs/dbraw/zinc/03/41/44/953034144.db2.gz FMSXQQYIFNNRFC-RYUDHWBXSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001571204904 953034148 /nfs/dbraw/zinc/03/41/48/953034148.db2.gz FMSXQQYIFNNRFC-RYUDHWBXSA-N -1 1 382.432 0.743 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@]12C[C@H]1COC2 ZINC001571205036 953034697 /nfs/dbraw/zinc/03/46/97/953034697.db2.gz FSMCALCVBGAKBO-SRBZOADZSA-N -1 1 382.428 0.168 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@]12C[C@H]1COC2 ZINC001571205036 953034701 /nfs/dbraw/zinc/03/47/01/953034701.db2.gz FSMCALCVBGAKBO-SRBZOADZSA-N -1 1 382.428 0.168 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571205174 953036092 /nfs/dbraw/zinc/03/60/92/953036092.db2.gz GWLXYGZBDHZJQA-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205174 953036094 /nfs/dbraw/zinc/03/60/94/953036094.db2.gz GWLXYGZBDHZJQA-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571205176 953036172 /nfs/dbraw/zinc/03/61/72/953036172.db2.gz GWLXYGZBDHZJQA-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205176 953036176 /nfs/dbraw/zinc/03/61/76/953036176.db2.gz GWLXYGZBDHZJQA-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM CC(C)n1nccc1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571205128 953036220 /nfs/dbraw/zinc/03/62/20/953036220.db2.gz FXWDPWNERUZCTA-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571205128 953036226 /nfs/dbraw/zinc/03/62/26/953036226.db2.gz FXWDPWNERUZCTA-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)[nH]n1 ZINC001571205424 953038091 /nfs/dbraw/zinc/03/80/91/953038091.db2.gz IAZIWYPLWGMMTO-GFCCVEGCSA-N -1 1 382.432 0.731 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)[nH]n1 ZINC001571205424 953038094 /nfs/dbraw/zinc/03/80/94/953038094.db2.gz IAZIWYPLWGMMTO-GFCCVEGCSA-N -1 1 382.432 0.731 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205455 953038197 /nfs/dbraw/zinc/03/81/97/953038197.db2.gz JFWVUMTXQVBSHF-WDEREUQCSA-N -1 1 382.432 0.905 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)[nH]n1 ZINC001571205425 953038288 /nfs/dbraw/zinc/03/82/88/953038288.db2.gz IAZIWYPLWGMMTO-LBPRGKRZSA-N -1 1 382.432 0.731 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)[nH]n1 ZINC001571205425 953038293 /nfs/dbraw/zinc/03/82/93/953038293.db2.gz IAZIWYPLWGMMTO-LBPRGKRZSA-N -1 1 382.432 0.731 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC001571205434 953038382 /nfs/dbraw/zinc/03/83/82/953038382.db2.gz IFJRUFYNMIRHOL-NSHDSACASA-N -1 1 382.432 0.344 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC001571205434 953038386 /nfs/dbraw/zinc/03/83/86/953038386.db2.gz IFJRUFYNMIRHOL-NSHDSACASA-N -1 1 382.432 0.344 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571205473 953038887 /nfs/dbraw/zinc/03/88/87/953038887.db2.gz JOMRISXSPMCCAW-WCQYABFASA-N -1 1 382.432 0.660 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571205473 953038894 /nfs/dbraw/zinc/03/88/94/953038894.db2.gz JOMRISXSPMCCAW-WCQYABFASA-N -1 1 382.432 0.660 20 0 GCADMM CCCc1n[nH]cc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205487 953039299 /nfs/dbraw/zinc/03/92/99/953039299.db2.gz JZNILLHJFODPIU-LLVKDONJSA-N -1 1 382.432 0.328 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)n1 ZINC001571205499 953039338 /nfs/dbraw/zinc/03/93/38/953039338.db2.gz KHDMWOUDCGNBBK-QMTHXVAHSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)n1 ZINC001571205499 953039342 /nfs/dbraw/zinc/03/93/42/953039342.db2.gz KHDMWOUDCGNBBK-QMTHXVAHSA-N -1 1 382.432 0.754 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)Cn3ccnc3)C2)n1 ZINC001571205501 953039410 /nfs/dbraw/zinc/03/94/10/953039410.db2.gz KHHXNBDVIXVJSH-LBPRGKRZSA-N -1 1 382.432 0.201 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)cc(-c2nnn[n-]2)n1 ZINC001571205586 953039523 /nfs/dbraw/zinc/03/95/23/953039523.db2.gz LGEOLSHNKRUBDO-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)cc(-c2nn[n-]n2)n1 ZINC001571205586 953039527 /nfs/dbraw/zinc/03/95/27/953039527.db2.gz LGEOLSHNKRUBDO-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM CCCn1nccc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571205627 953039979 /nfs/dbraw/zinc/03/99/79/953039979.db2.gz LXZCINZSUFYDAX-NEPJUHHUSA-N -1 1 382.432 0.660 20 0 GCADMM CCCn1nccc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571205627 953039983 /nfs/dbraw/zinc/03/99/83/953039983.db2.gz LXZCINZSUFYDAX-NEPJUHHUSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571205635 953039991 /nfs/dbraw/zinc/03/99/91/953039991.db2.gz MHJSCVNYGWLBED-DGCLKSJQSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571205635 953039993 /nfs/dbraw/zinc/03/99/93/953039993.db2.gz MHJSCVNYGWLBED-DGCLKSJQSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)c1cncn1C ZINC001571205607 953040021 /nfs/dbraw/zinc/04/00/21/953040021.db2.gz LOYVFLSYGJXZIR-WCQYABFASA-N -1 1 382.432 0.886 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)c1cncn1C ZINC001571205607 953040024 /nfs/dbraw/zinc/04/00/24/953040024.db2.gz LOYVFLSYGJXZIR-WCQYABFASA-N -1 1 382.432 0.886 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205610 953040341 /nfs/dbraw/zinc/04/03/41/953040341.db2.gz JXAANLUNTAJOTL-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cncn2C)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205633 953040371 /nfs/dbraw/zinc/04/03/71/953040371.db2.gz MBUXCBGQRNGKDQ-SMDDNHRTSA-N -1 1 382.432 0.282 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)nn1C ZINC001571205713 953041627 /nfs/dbraw/zinc/04/16/27/953041627.db2.gz NIDXUZFFHJLSBP-CMPLNLGQSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)nn1C ZINC001571205713 953041633 /nfs/dbraw/zinc/04/16/33/953041633.db2.gz NIDXUZFFHJLSBP-CMPLNLGQSA-N -1 1 382.432 0.668 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)n1 ZINC001571205694 953041781 /nfs/dbraw/zinc/04/17/81/953041781.db2.gz MZDKWGGQDZOJJF-ZWNOBZJWSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)n1 ZINC001571205694 953041785 /nfs/dbraw/zinc/04/17/85/953041785.db2.gz MZDKWGGQDZOJJF-ZWNOBZJWSA-N -1 1 382.432 0.754 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)nn1C ZINC001571205715 953041875 /nfs/dbraw/zinc/04/18/75/953041875.db2.gz NIDXUZFFHJLSBP-PWSUYJOCSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)nn1C ZINC001571205715 953041877 /nfs/dbraw/zinc/04/18/77/953041877.db2.gz NIDXUZFFHJLSBP-PWSUYJOCSA-N -1 1 382.432 0.668 20 0 GCADMM CCn1ccnc1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571205814 953042030 /nfs/dbraw/zinc/04/20/30/953042030.db2.gz BJNBHUHXMCMYEU-UHFFFAOYSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)n1 ZINC001571205781 953042226 /nfs/dbraw/zinc/04/22/26/953042226.db2.gz ARUNDLHUQSXDMZ-AAEUAGOBSA-N -1 1 382.432 0.517 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)n1 ZINC001571205781 953042233 /nfs/dbraw/zinc/04/22/33/953042233.db2.gz ARUNDLHUQSXDMZ-AAEUAGOBSA-N -1 1 382.432 0.517 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC[C@@H]2C)n1 ZINC001571205818 953042264 /nfs/dbraw/zinc/04/22/64/953042264.db2.gz BMUZPXSBLYDGEX-WCQYABFASA-N -1 1 382.432 0.404 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC[C@@H]2C)n1 ZINC001571205818 953042268 /nfs/dbraw/zinc/04/22/68/953042268.db2.gz BMUZPXSBLYDGEX-WCQYABFASA-N -1 1 382.432 0.404 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC[C@H]2C)n1 ZINC001571205817 953042610 /nfs/dbraw/zinc/04/26/10/953042610.db2.gz BMUZPXSBLYDGEX-DGCLKSJQSA-N -1 1 382.432 0.404 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC[C@H]2C)n1 ZINC001571205817 953042614 /nfs/dbraw/zinc/04/26/14/953042614.db2.gz BMUZPXSBLYDGEX-DGCLKSJQSA-N -1 1 382.432 0.404 20 0 GCADMM CCn1ccc(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)n1 ZINC001571205835 953043142 /nfs/dbraw/zinc/04/31/42/953043142.db2.gz BQSCBCZYQRYFGR-CYBMUJFWSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1ccc(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)n1 ZINC001571205835 953043147 /nfs/dbraw/zinc/04/31/47/953043147.db2.gz BQSCBCZYQRYFGR-CYBMUJFWSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571205862 953043289 /nfs/dbraw/zinc/04/32/89/953043289.db2.gz CIEOHCGGOYIIIO-GFCCVEGCSA-N -1 1 382.432 0.518 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571205862 953043295 /nfs/dbraw/zinc/04/32/95/953043295.db2.gz CIEOHCGGOYIIIO-GFCCVEGCSA-N -1 1 382.432 0.518 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)[C@H](C)C2)n1 ZINC001571205853 953043435 /nfs/dbraw/zinc/04/34/35/953043435.db2.gz CBTZOEYNEVKTOX-VXGBXAGGSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571205853 953043440 /nfs/dbraw/zinc/04/34/40/953043440.db2.gz CBTZOEYNEVKTOX-VXGBXAGGSA-N -1 1 382.432 0.784 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571205963 953044613 /nfs/dbraw/zinc/04/46/13/953044613.db2.gz PDDAOBVDHHAOLH-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571205963 953044617 /nfs/dbraw/zinc/04/46/17/953044617.db2.gz PDDAOBVDHHAOLH-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM CCN(C(=O)c1nc(C)c[nH]1)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205991 953044706 /nfs/dbraw/zinc/04/47/06/953044706.db2.gz QGAUKEAFTNUGPF-LBPRGKRZSA-N -1 1 382.432 0.738 20 0 GCADMM CCN(C(=O)c1nc(C)c[nH]1)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205991 953044710 /nfs/dbraw/zinc/04/47/10/953044710.db2.gz QGAUKEAFTNUGPF-LBPRGKRZSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571205949 953044717 /nfs/dbraw/zinc/04/47/17/953044717.db2.gz OWMVJFOZYFYDNK-WCQYABFASA-N -1 1 382.432 0.139 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571205949 953044721 /nfs/dbraw/zinc/04/47/21/953044721.db2.gz OWMVJFOZYFYDNK-WCQYABFASA-N -1 1 382.432 0.139 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571205982 953044901 /nfs/dbraw/zinc/04/49/01/953044901.db2.gz PUYCHJKFPGQSBJ-NSHDSACASA-N -1 1 382.432 0.683 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571205982 953044907 /nfs/dbraw/zinc/04/49/07/953044907.db2.gz PUYCHJKFPGQSBJ-NSHDSACASA-N -1 1 382.432 0.683 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571205964 953045176 /nfs/dbraw/zinc/04/51/76/953045176.db2.gz PDDAOBVDHHAOLH-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571205964 953045178 /nfs/dbraw/zinc/04/51/78/953045178.db2.gz PDDAOBVDHHAOLH-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571205996 953045708 /nfs/dbraw/zinc/04/57/08/953045708.db2.gz QLNBBZLIANHSJV-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571205996 953045710 /nfs/dbraw/zinc/04/57/10/953045710.db2.gz QLNBBZLIANHSJV-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571206030 953046057 /nfs/dbraw/zinc/04/60/57/953046057.db2.gz RDDYXQABAPCJHI-KRWDZBQOSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571206030 953046062 /nfs/dbraw/zinc/04/60/62/953046062.db2.gz RDDYXQABAPCJHI-KRWDZBQOSA-N -1 1 382.432 0.837 20 0 GCADMM CCc1c(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571206074 953046678 /nfs/dbraw/zinc/04/66/78/953046678.db2.gz RMMKPPDBUPSJPD-LLVKDONJSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1c(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571206074 953046681 /nfs/dbraw/zinc/04/66/81/953046681.db2.gz RMMKPPDBUPSJPD-LLVKDONJSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1c(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571206075 953047031 /nfs/dbraw/zinc/04/70/31/953047031.db2.gz RMMKPPDBUPSJPD-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM CCc1c(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571206075 953047036 /nfs/dbraw/zinc/04/70/36/953047036.db2.gz RMMKPPDBUPSJPD-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)c2ccn(C)n2)n1 ZINC001571206077 953047467 /nfs/dbraw/zinc/04/74/67/953047467.db2.gz CXHMQYIKMBMVHB-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)c2ccn(C)n2)n1 ZINC001571206077 953047470 /nfs/dbraw/zinc/04/74/70/953047470.db2.gz CXHMQYIKMBMVHB-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571206196 953047782 /nfs/dbraw/zinc/04/77/82/953047782.db2.gz SBXZSUZWXPGLIS-ZYHUDNBSSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571206196 953047787 /nfs/dbraw/zinc/04/77/87/953047787.db2.gz SBXZSUZWXPGLIS-ZYHUDNBSSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1cc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n(C)n1 ZINC001571206154 953048308 /nfs/dbraw/zinc/04/83/08/953048308.db2.gz RYGNUJLYRKOUOK-UHFFFAOYSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1cc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n(C)n1 ZINC001571206154 953048311 /nfs/dbraw/zinc/04/83/11/953048311.db2.gz RYGNUJLYRKOUOK-UHFFFAOYSA-N -1 1 382.432 0.351 20 0 GCADMM Cc1c[nH]c(C(=O)N2CCC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571206197 953048335 /nfs/dbraw/zinc/04/83/35/953048335.db2.gz DVGKHAVDDJZUQF-LBPRGKRZSA-N -1 1 382.432 0.677 20 0 GCADMM Cc1c[nH]c(C(=O)N2CCC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571206197 953048338 /nfs/dbraw/zinc/04/83/38/953048338.db2.gz DVGKHAVDDJZUQF-LBPRGKRZSA-N -1 1 382.432 0.677 20 0 GCADMM CCc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)c2cn[nH]c2)cc(-c2nnn[n-]2)n1 ZINC001571206261 953049254 /nfs/dbraw/zinc/04/92/54/953049254.db2.gz SSHPUQVCPHMZBN-JQWIXIFHSA-N -1 1 382.432 0.953 20 0 GCADMM CCc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)c2cn[nH]c2)cc(-c2nn[n-]n2)n1 ZINC001571206261 953049256 /nfs/dbraw/zinc/04/92/56/953049256.db2.gz SSHPUQVCPHMZBN-JQWIXIFHSA-N -1 1 382.432 0.953 20 0 GCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001571206376 953049861 /nfs/dbraw/zinc/04/98/61/953049861.db2.gz UKILAFVNQIVILP-NWDGAFQWSA-N -1 1 382.432 0.804 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001571206376 953049865 /nfs/dbraw/zinc/04/98/65/953049865.db2.gz UKILAFVNQIVILP-NWDGAFQWSA-N -1 1 382.432 0.804 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571206315 953050195 /nfs/dbraw/zinc/05/01/95/953050195.db2.gz FMNSMUDTAOMETJ-QMTHXVAHSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206315 953050199 /nfs/dbraw/zinc/05/01/99/953050199.db2.gz FMNSMUDTAOMETJ-QMTHXVAHSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)cn1 ZINC001571206433 953050836 /nfs/dbraw/zinc/05/08/36/953050836.db2.gz GXGYZJJTOPYFBQ-GFCCVEGCSA-N -1 1 382.432 0.518 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571206471 953050915 /nfs/dbraw/zinc/05/09/15/953050915.db2.gz HEXOIEOPHSHQEX-KRWDZBQOSA-N -1 1 382.432 0.259 20 0 GCADMM CCn1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571206531 953051717 /nfs/dbraw/zinc/05/17/17/953051717.db2.gz HXTPIHWINNOMSJ-UHFFFAOYSA-N -1 1 382.432 0.259 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001571206474 953051887 /nfs/dbraw/zinc/05/18/87/953051887.db2.gz PYGGSKMDFQVRPM-QWHCGFSZSA-N -1 1 382.432 0.187 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206625 953052628 /nfs/dbraw/zinc/05/26/28/953052628.db2.gz VTRBSYRERVRXIA-GHMZBOCLSA-N -1 1 382.432 0.327 20 0 GCADMM CCn1ccc(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571206609 953052922 /nfs/dbraw/zinc/05/29/22/953052922.db2.gz INOFUVPJXNANLI-CYBMUJFWSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1ccc(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571206609 953052926 /nfs/dbraw/zinc/05/29/26/953052926.db2.gz INOFUVPJXNANLI-CYBMUJFWSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1ccnc1C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571206632 953053092 /nfs/dbraw/zinc/05/30/92/953053092.db2.gz IRZYUPDWYPXTCA-LBPRGKRZSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1ccnc1C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571206632 953053094 /nfs/dbraw/zinc/05/30/94/953053094.db2.gz IRZYUPDWYPXTCA-LBPRGKRZSA-N -1 1 382.432 0.520 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206629 953053198 /nfs/dbraw/zinc/05/31/98/953053198.db2.gz VTRBSYRERVRXIA-MNOVXSKESA-N -1 1 382.432 0.327 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[C@]12C[C@H]1COC2 ZINC001571206600 953053275 /nfs/dbraw/zinc/05/32/75/953053275.db2.gz RMFBKBTURXHOJY-GRGQLKNSSA-N -1 1 382.428 0.309 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)[C@]12C[C@H]1COC2 ZINC001571206600 953053277 /nfs/dbraw/zinc/05/32/77/953053277.db2.gz RMFBKBTURXHOJY-GRGQLKNSSA-N -1 1 382.428 0.309 20 0 GCADMM CCN(C(=O)c1ccn(CC)n1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206669 953054189 /nfs/dbraw/zinc/05/41/89/953054189.db2.gz VYUNXEPMPQPZRA-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCN(C(=O)c1ccn(CC)n1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206669 953054191 /nfs/dbraw/zinc/05/41/91/953054191.db2.gz VYUNXEPMPQPZRA-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM C[C@H](NC(=O)c1ccn(C)n1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207025 953057905 /nfs/dbraw/zinc/05/79/05/953057905.db2.gz ZUUCWFGSEHNTFV-RYUDHWBXSA-N -1 1 382.432 0.425 20 0 GCADMM C[C@H](NC(=O)c1ccn(C)n1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207025 953057910 /nfs/dbraw/zinc/05/79/10/953057910.db2.gz ZUUCWFGSEHNTFV-RYUDHWBXSA-N -1 1 382.432 0.425 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571206985 953058474 /nfs/dbraw/zinc/05/84/74/953058474.db2.gz YZDSAZFKODQOAG-LLVKDONJSA-N -1 1 382.432 0.731 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H](CN(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571207086 953059078 /nfs/dbraw/zinc/05/90/78/953059078.db2.gz MTSWINUYOATTJG-LBPRGKRZSA-N -1 1 382.432 0.595 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571207042 953059314 /nfs/dbraw/zinc/05/93/14/953059314.db2.gz LTVCJPMFQGTRHO-ZWNOBZJWSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571207042 953059317 /nfs/dbraw/zinc/05/93/17/953059317.db2.gz LTVCJPMFQGTRHO-ZWNOBZJWSA-N -1 1 382.432 0.754 20 0 GCADMM Cc1c[nH]c(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)n1 ZINC001571207063 953059378 /nfs/dbraw/zinc/05/93/78/953059378.db2.gz MLTWPIFXJYHPDS-GFCCVEGCSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1c[nH]c(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)n1 ZINC001571207063 953059381 /nfs/dbraw/zinc/05/93/81/953059381.db2.gz MLTWPIFXJYHPDS-GFCCVEGCSA-N -1 1 382.432 0.867 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571207045 953059487 /nfs/dbraw/zinc/05/94/87/953059487.db2.gz LVERULFMWFWVKX-LBPRGKRZSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571207045 953059490 /nfs/dbraw/zinc/05/94/90/953059490.db2.gz LVERULFMWFWVKX-LBPRGKRZSA-N -1 1 382.432 0.837 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571207162 953060061 /nfs/dbraw/zinc/06/00/61/953060061.db2.gz NZXDNYQRHVJFBX-BXUZGUMPSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571207162 953060062 /nfs/dbraw/zinc/06/00/62/953060062.db2.gz NZXDNYQRHVJFBX-BXUZGUMPSA-N -1 1 382.432 0.282 20 0 GCADMM Cc1[nH]nc(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)c1C ZINC001571207142 953060092 /nfs/dbraw/zinc/06/00/92/953060092.db2.gz NRRDKWQBLGEBBL-GFCCVEGCSA-N -1 1 382.432 0.786 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571207225 953060801 /nfs/dbraw/zinc/06/08/01/953060801.db2.gz XUELDZSQXSGSKD-PXAZEXFGSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571207225 953060806 /nfs/dbraw/zinc/06/08/06/953060806.db2.gz XUELDZSQXSGSKD-PXAZEXFGSA-N -1 1 382.432 0.765 20 0 GCADMM CCn1ccc(CC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571207233 953060884 /nfs/dbraw/zinc/06/08/84/953060884.db2.gz OUEVLAWKNGSTIM-UHFFFAOYSA-N -1 1 382.432 0.201 20 0 GCADMM CCn1ccc(CC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571207233 953060888 /nfs/dbraw/zinc/06/08/88/953060888.db2.gz OUEVLAWKNGSTIM-UHFFFAOYSA-N -1 1 382.432 0.201 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571207265 953060970 /nfs/dbraw/zinc/06/09/70/953060970.db2.gz PFNOUNVRDIUVPM-RYUDHWBXSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571207265 953060974 /nfs/dbraw/zinc/06/09/74/953060974.db2.gz PFNOUNVRDIUVPM-RYUDHWBXSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571207226 953061049 /nfs/dbraw/zinc/06/10/49/953061049.db2.gz XUELDZSQXSGSKD-SJCJKPOMSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571207226 953061052 /nfs/dbraw/zinc/06/10/52/953061052.db2.gz XUELDZSQXSGSKD-SJCJKPOMSA-N -1 1 382.432 0.765 20 0 GCADMM CCn1nccc1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207261 953061099 /nfs/dbraw/zinc/06/10/99/953061099.db2.gz PDXHBMWMLPPMEJ-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1nccc1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207261 953061102 /nfs/dbraw/zinc/06/11/02/953061102.db2.gz PDXHBMWMLPPMEJ-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207240 953061416 /nfs/dbraw/zinc/06/14/16/953061416.db2.gz OXHPIGJFCNPFCJ-LBPRGKRZSA-N -1 1 382.432 0.438 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571207280 953062153 /nfs/dbraw/zinc/06/21/53/953062153.db2.gz PLIBRMYYEFLAPX-GFCCVEGCSA-N -1 1 382.432 0.406 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571207280 953062155 /nfs/dbraw/zinc/06/21/55/953062155.db2.gz PLIBRMYYEFLAPX-GFCCVEGCSA-N -1 1 382.432 0.406 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207419 953062459 /nfs/dbraw/zinc/06/24/59/953062459.db2.gz RGBZEFYXLQLWHD-NWDGAFQWSA-N -1 1 382.432 0.448 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571207478 953063493 /nfs/dbraw/zinc/06/34/93/953063493.db2.gz SXMDQWNYTINVIS-LBPRGKRZSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571207478 953063497 /nfs/dbraw/zinc/06/34/97/953063497.db2.gz SXMDQWNYTINVIS-LBPRGKRZSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1c(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571207499 953063814 /nfs/dbraw/zinc/06/38/14/953063814.db2.gz URILUKJJKGYIHX-YMTOWFKASA-N -1 1 382.432 0.580 20 0 GCADMM Cc1c(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571207499 953063817 /nfs/dbraw/zinc/06/38/17/953063817.db2.gz URILUKJJKGYIHX-YMTOWFKASA-N -1 1 382.432 0.580 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571207508 953063904 /nfs/dbraw/zinc/06/39/04/953063904.db2.gz VGONJFRPTPJQOU-GFCCVEGCSA-N -1 1 382.432 0.961 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207508 953063908 /nfs/dbraw/zinc/06/39/08/953063908.db2.gz VGONJFRPTPJQOU-GFCCVEGCSA-N -1 1 382.432 0.961 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)n1 ZINC001571207582 953064224 /nfs/dbraw/zinc/06/42/24/953064224.db2.gz XJDXHQYWUDVKPM-CYBMUJFWSA-N -1 1 382.432 0.262 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)n1 ZINC001571207582 953064229 /nfs/dbraw/zinc/06/42/29/953064229.db2.gz XJDXHQYWUDVKPM-CYBMUJFWSA-N -1 1 382.432 0.262 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]2C)n1 ZINC001571207554 953064512 /nfs/dbraw/zinc/06/45/12/953064512.db2.gz WHYVUUBCNDGGGY-YPMHNXCESA-N -1 1 382.432 0.511 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207587 953064741 /nfs/dbraw/zinc/06/47/41/953064741.db2.gz XLZFIOIAUDOBTJ-NWDGAFQWSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207587 953064744 /nfs/dbraw/zinc/06/47/44/953064744.db2.gz XLZFIOIAUDOBTJ-NWDGAFQWSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571207640 953065084 /nfs/dbraw/zinc/06/50/84/953065084.db2.gz YSXYZRAWXYLLAV-JQWIXIFHSA-N -1 1 382.432 0.437 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571207640 953065087 /nfs/dbraw/zinc/06/50/87/953065087.db2.gz YSXYZRAWXYLLAV-JQWIXIFHSA-N -1 1 382.432 0.437 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2C)n1 ZINC001571207645 953065183 /nfs/dbraw/zinc/06/51/83/953065183.db2.gz ZABLDWSWIFUSGB-HZMBPMFUSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1cn(C)nc1C(=O)NC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571207679 953066292 /nfs/dbraw/zinc/06/62/92/953066292.db2.gz ZSARZHGEPAJKOV-UHFFFAOYSA-N -1 1 382.432 0.406 20 0 GCADMM Cc1cn(C)nc1C(=O)NC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571207679 953066293 /nfs/dbraw/zinc/06/62/93/953066293.db2.gz ZSARZHGEPAJKOV-UHFFFAOYSA-N -1 1 382.432 0.406 20 0 GCADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC001571209691 953066350 /nfs/dbraw/zinc/06/63/50/953066350.db2.gz BBFLOMIVOZECEY-SNVBAGLBSA-N -1 1 382.446 0.908 20 0 GCADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC001571209691 953066351 /nfs/dbraw/zinc/06/63/51/953066351.db2.gz BBFLOMIVOZECEY-SNVBAGLBSA-N -1 1 382.446 0.908 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571210889 953074689 /nfs/dbraw/zinc/07/46/89/953074689.db2.gz ZLJZJTORFXHDTF-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571210889 953074693 /nfs/dbraw/zinc/07/46/93/953074693.db2.gz ZLJZJTORFXHDTF-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cnn(C)c1C(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211461 953076318 /nfs/dbraw/zinc/07/63/18/953076318.db2.gz BEUCNRAMVRXMJB-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cnn(C)c1C(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211461 953076320 /nfs/dbraw/zinc/07/63/20/953076320.db2.gz BEUCNRAMVRXMJB-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cnn(C)c1C(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211460 953076467 /nfs/dbraw/zinc/07/64/67/953076467.db2.gz BEUCNRAMVRXMJB-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cnn(C)c1C(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211460 953076470 /nfs/dbraw/zinc/07/64/70/953076470.db2.gz BEUCNRAMVRXMJB-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM Cn1cncc1C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211427 953076623 /nfs/dbraw/zinc/07/66/23/953076623.db2.gz ALPSCLCZTHKHGN-GFCCVEGCSA-N -1 1 382.432 0.887 20 0 GCADMM Cn1cncc1C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211427 953076625 /nfs/dbraw/zinc/07/66/25/953076625.db2.gz ALPSCLCZTHKHGN-GFCCVEGCSA-N -1 1 382.432 0.887 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)n1C ZINC001571211662 953079295 /nfs/dbraw/zinc/07/92/95/953079295.db2.gz FCNWPWTXIFOORG-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)n1C ZINC001571211662 953079299 /nfs/dbraw/zinc/07/92/99/953079299.db2.gz FCNWPWTXIFOORG-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211690 953079574 /nfs/dbraw/zinc/07/95/74/953079574.db2.gz FSMBUVIVUUDQMV-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211690 953079579 /nfs/dbraw/zinc/07/95/79/953079579.db2.gz FSMBUVIVUUDQMV-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211651 953079799 /nfs/dbraw/zinc/07/97/99/953079799.db2.gz DWVXCFHORBKGNO-UHFFFAOYSA-N -1 1 382.432 0.641 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211651 953079802 /nfs/dbraw/zinc/07/98/02/953079802.db2.gz DWVXCFHORBKGNO-UHFFFAOYSA-N -1 1 382.432 0.641 20 0 GCADMM Cn1cncc1CCC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571211678 953079839 /nfs/dbraw/zinc/07/98/39/953079839.db2.gz FIMLNXCZEDLIHP-UHFFFAOYSA-N -1 1 382.432 0.062 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571211680 953079915 /nfs/dbraw/zinc/07/99/15/953079915.db2.gz FMODOEFTICODQT-LBPRGKRZSA-N -1 1 382.432 0.324 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571211680 953079919 /nfs/dbraw/zinc/07/99/19/953079919.db2.gz FMODOEFTICODQT-LBPRGKRZSA-N -1 1 382.432 0.324 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)CC2(C)C)cn1 ZINC001571211861 953081290 /nfs/dbraw/zinc/08/12/90/953081290.db2.gz HOUZMHOAMOXXRP-LBPRGKRZSA-N -1 1 382.432 0.425 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)CC2(C)C)cn1 ZINC001571211861 953081295 /nfs/dbraw/zinc/08/12/95/953081295.db2.gz HOUZMHOAMOXXRP-LBPRGKRZSA-N -1 1 382.432 0.425 20 0 GCADMM Cc1nn(C)cc1C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571211816 953081368 /nfs/dbraw/zinc/08/13/68/953081368.db2.gz GKTMMGXATBWWTF-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1nn(C)cc1C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571211816 953081374 /nfs/dbraw/zinc/08/13/74/953081374.db2.gz GKTMMGXATBWWTF-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571211842 953081501 /nfs/dbraw/zinc/08/15/01/953081501.db2.gz HCFPNJASCGQTFE-WCQYABFASA-N -1 1 382.432 0.641 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571211842 953081505 /nfs/dbraw/zinc/08/15/05/953081505.db2.gz HCFPNJASCGQTFE-WCQYABFASA-N -1 1 382.432 0.641 20 0 GCADMM Cc1ccn([C@@H](C)CC(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571211885 953082656 /nfs/dbraw/zinc/08/26/56/953082656.db2.gz IFKHMHJHOODBDE-ZDUSSCGKSA-N -1 1 382.432 0.462 20 0 GCADMM Cc1ccn([C@@H](C)CC(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571211885 953082660 /nfs/dbraw/zinc/08/26/60/953082660.db2.gz IFKHMHJHOODBDE-ZDUSSCGKSA-N -1 1 382.432 0.462 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571212116 953084240 /nfs/dbraw/zinc/08/42/40/953084240.db2.gz JCVGGEACEYRLIU-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571212149 953084897 /nfs/dbraw/zinc/08/48/97/953084897.db2.gz JYYOIXWNMWUVRT-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571212149 953084902 /nfs/dbraw/zinc/08/49/02/953084902.db2.gz JYYOIXWNMWUVRT-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1C ZINC001571212171 953085004 /nfs/dbraw/zinc/08/50/04/953085004.db2.gz KJQBCEWNEJJZSP-LBPRGKRZSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1C ZINC001571212171 953085007 /nfs/dbraw/zinc/08/50/07/953085007.db2.gz KJQBCEWNEJJZSP-LBPRGKRZSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cn(C)nc1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571212333 953087238 /nfs/dbraw/zinc/08/72/38/953087238.db2.gz LTFFVMCIYOUIQL-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571212389 953087858 /nfs/dbraw/zinc/08/78/58/953087858.db2.gz NMQZFTGUVRTNLX-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571212389 953087862 /nfs/dbraw/zinc/08/78/62/953087862.db2.gz NMQZFTGUVRTNLX-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571212606 953089194 /nfs/dbraw/zinc/08/91/94/953089194.db2.gz NYMGAPJSDHIXAB-PWSUYJOCSA-N -1 1 382.432 0.404 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571212606 953089195 /nfs/dbraw/zinc/08/91/95/953089195.db2.gz NYMGAPJSDHIXAB-PWSUYJOCSA-N -1 1 382.432 0.404 20 0 GCADMM Cn1cc(CC(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571212705 953089833 /nfs/dbraw/zinc/08/98/33/953089833.db2.gz OIYXBEIFGPBDGF-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1cc(CC(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571212705 953089839 /nfs/dbraw/zinc/08/98/39/953089839.db2.gz OIYXBEIFGPBDGF-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)n(C)n1 ZINC001571212730 953090399 /nfs/dbraw/zinc/09/03/99/953090399.db2.gz OPAWELZAYPGXMU-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)n(C)n1 ZINC001571212730 953090405 /nfs/dbraw/zinc/09/04/05/953090405.db2.gz OPAWELZAYPGXMU-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213057 953092137 /nfs/dbraw/zinc/09/21/37/953092137.db2.gz QGAVFQWYRBKARZ-GFCCVEGCSA-N -1 1 382.432 0.297 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213057 953092139 /nfs/dbraw/zinc/09/21/39/953092139.db2.gz QGAVFQWYRBKARZ-GFCCVEGCSA-N -1 1 382.432 0.297 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571213070 953092352 /nfs/dbraw/zinc/09/23/52/953092352.db2.gz QKEYKXNNDXZLKU-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571213070 953092356 /nfs/dbraw/zinc/09/23/56/953092356.db2.gz QKEYKXNNDXZLKU-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)n1C ZINC001571213020 953092513 /nfs/dbraw/zinc/09/25/13/953092513.db2.gz PUFPHMLIMAXZOD-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)n1C ZINC001571213020 953092516 /nfs/dbraw/zinc/09/25/16/953092516.db2.gz PUFPHMLIMAXZOD-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571213486 953095095 /nfs/dbraw/zinc/09/50/95/953095095.db2.gz UYNOVWSBVSPQPD-QGZVFWFLSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571213486 953095099 /nfs/dbraw/zinc/09/50/99/953095099.db2.gz UYNOVWSBVSPQPD-QGZVFWFLSA-N -1 1 382.432 0.663 20 0 GCADMM Cn1ccc(CCC(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571213815 953097513 /nfs/dbraw/zinc/09/75/13/953097513.db2.gz WVUJSXQYEZOXGA-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccc(CCC(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571213815 953097519 /nfs/dbraw/zinc/09/75/19/953097519.db2.gz WVUJSXQYEZOXGA-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cc(CC(=O)NC2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001571213812 953097789 /nfs/dbraw/zinc/09/77/89/953097789.db2.gz WNPIGIHYICQCSK-UHFFFAOYSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1cc(CC(=O)NC2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001571213812 953097793 /nfs/dbraw/zinc/09/77/93/953097793.db2.gz WNPIGIHYICQCSK-UHFFFAOYSA-N -1 1 382.432 0.472 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571213876 953098510 /nfs/dbraw/zinc/09/85/10/953098510.db2.gz YBVGEJLWJBHNIF-NSHDSACASA-N -1 1 382.432 0.343 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571213876 953098515 /nfs/dbraw/zinc/09/85/15/953098515.db2.gz YBVGEJLWJBHNIF-NSHDSACASA-N -1 1 382.432 0.343 20 0 GCADMM Cc1ccnn1CC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571214131 953099984 /nfs/dbraw/zinc/09/99/84/953099984.db2.gz YJMRMKVSAUMSTP-LBPRGKRZSA-N -1 1 382.432 0.193 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571214232 953100285 /nfs/dbraw/zinc/10/02/85/953100285.db2.gz ZQCZBDQZDILSLM-GFCCVEGCSA-N -1 1 382.432 0.358 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571214232 953100288 /nfs/dbraw/zinc/10/02/88/953100288.db2.gz ZQCZBDQZDILSLM-GFCCVEGCSA-N -1 1 382.432 0.358 20 0 GCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001571214308 953100559 /nfs/dbraw/zinc/10/05/59/953100559.db2.gz WZQRLYQKFXTGOK-LLVKDONJSA-N -1 1 382.471 0.593 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571214182 953100809 /nfs/dbraw/zinc/10/08/09/953100809.db2.gz YWADNXXVQZWBQF-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571214182 953100812 /nfs/dbraw/zinc/10/08/12/953100812.db2.gz YWADNXXVQZWBQF-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2cncc(F)c2)CC1 ZINC001571216943 953105686 /nfs/dbraw/zinc/10/56/86/953105686.db2.gz DCOHHKLWEGQFBY-UHFFFAOYSA-N -1 1 383.391 0.720 20 0 GCADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@@H]1CCCCC1(F)F ZINC001571217283 953107550 /nfs/dbraw/zinc/10/75/50/953107550.db2.gz DLTAOHWIDSIJHN-VIFPVBQESA-N -1 1 383.359 0.461 20 0 GCADMM COc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)co1 ZINC001571217580 953108946 /nfs/dbraw/zinc/10/89/46/953108946.db2.gz NZLICNLPGZHDQX-PTRXPTGYSA-N -1 1 383.372 0.193 20 0 GCADMM COc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)co1 ZINC001571217580 953108950 /nfs/dbraw/zinc/10/89/50/953108950.db2.gz NZLICNLPGZHDQX-PTRXPTGYSA-N -1 1 383.372 0.193 20 0 GCADMM CN(C(=O)Cc1ccc(F)cn1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571217847 953110802 /nfs/dbraw/zinc/11/08/02/953110802.db2.gz QFXJOIGVSBNWAO-CYBMUJFWSA-N -1 1 383.391 0.471 20 0 GCADMM CN(C(=O)Cc1ccc(F)cn1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571217847 953110806 /nfs/dbraw/zinc/11/08/06/953110806.db2.gz QFXJOIGVSBNWAO-CYBMUJFWSA-N -1 1 383.391 0.471 20 0 GCADMM O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(F)cn1 ZINC001571218511 953115701 /nfs/dbraw/zinc/11/57/01/953115701.db2.gz ACMRHERKZZZZCQ-LLVKDONJSA-N -1 1 383.391 0.837 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571218530 953115853 /nfs/dbraw/zinc/11/58/53/953115853.db2.gz WPZUNFWONIRBPJ-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571218530 953115857 /nfs/dbraw/zinc/11/58/57/953115857.db2.gz WPZUNFWONIRBPJ-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cncc(F)c1 ZINC001571218805 953119541 /nfs/dbraw/zinc/11/95/41/953119541.db2.gz DWVMODGKKWWHFJ-ZDUSSCGKSA-N -1 1 383.391 0.980 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cncc(F)c1 ZINC001571218805 953119545 /nfs/dbraw/zinc/11/95/45/953119545.db2.gz DWVMODGKKWWHFJ-ZDUSSCGKSA-N -1 1 383.391 0.980 20 0 GCADMM CN(C(=O)c1cncc(F)c1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571218918 953120888 /nfs/dbraw/zinc/12/08/88/953120888.db2.gz GXJYGPRNPIYYHZ-UHFFFAOYSA-N -1 1 383.391 0.932 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)c1cncc(F)c1)c1nccnc1-c1nnn[n-]1 ZINC001571219029 953121640 /nfs/dbraw/zinc/12/16/40/953121640.db2.gz JUTREBGBJHKGTA-CYBMUJFWSA-N -1 1 383.391 0.932 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)c1cncc(F)c1)c1nccnc1-c1nn[n-]n1 ZINC001571219029 953121642 /nfs/dbraw/zinc/12/16/42/953121642.db2.gz JUTREBGBJHKGTA-CYBMUJFWSA-N -1 1 383.391 0.932 20 0 GCADMM O=C(Cc1ccc(F)cn1)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571219217 953124427 /nfs/dbraw/zinc/12/44/27/953124427.db2.gz MHEOTHBJEMZEAF-MJHDQNEOSA-N -1 1 383.391 0.740 20 0 GCADMM O=C(Cc1ccc(F)cn1)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571219217 953124430 /nfs/dbraw/zinc/12/44/30/953124430.db2.gz MHEOTHBJEMZEAF-MJHDQNEOSA-N -1 1 383.391 0.740 20 0 GCADMM O=C(Cc1ccc(F)cn1)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571220243 953129276 /nfs/dbraw/zinc/12/92/76/953129276.db2.gz ZQVAUGPSMAPBLG-UHFFFAOYSA-N -1 1 383.391 0.519 20 0 GCADMM O=C(Cc1ccc(F)cn1)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571220243 953129281 /nfs/dbraw/zinc/12/92/81/953129281.db2.gz ZQVAUGPSMAPBLG-UHFFFAOYSA-N -1 1 383.391 0.519 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)no1 ZINC001571222155 953131214 /nfs/dbraw/zinc/13/12/14/953131214.db2.gz DGRZHVPWYXYLHH-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)no1 ZINC001571222155 953131218 /nfs/dbraw/zinc/13/12/18/953131218.db2.gz DGRZHVPWYXYLHH-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CN(CC1CCN(C(=O)Cc2cnoc2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571222278 953133217 /nfs/dbraw/zinc/13/32/17/953133217.db2.gz CPSJLFILDGFFQV-UHFFFAOYSA-N -1 1 383.416 0.562 20 0 GCADMM CN(CC1CCN(C(=O)Cc2cnoc2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571222278 953133218 /nfs/dbraw/zinc/13/32/18/953133218.db2.gz CPSJLFILDGFFQV-UHFFFAOYSA-N -1 1 383.416 0.562 20 0 GCADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222374 953133799 /nfs/dbraw/zinc/13/37/99/953133799.db2.gz HHAQSCYKNMEEAD-XYPYZODXSA-N -1 1 383.416 0.811 20 0 GCADMM CCn1cccc1C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571222423 953134155 /nfs/dbraw/zinc/13/41/55/953134155.db2.gz FCZHEBUTUSAIQK-GFCCVEGCSA-N -1 1 383.416 0.113 20 0 GCADMM CCn1cccc1C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571222423 953134156 /nfs/dbraw/zinc/13/41/56/953134156.db2.gz FCZHEBUTUSAIQK-GFCCVEGCSA-N -1 1 383.416 0.113 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571222614 953136662 /nfs/dbraw/zinc/13/66/62/953136662.db2.gz HXQYYCLYYZGWKT-GXFFZTMASA-N -1 1 383.416 0.709 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571222614 953136664 /nfs/dbraw/zinc/13/66/64/953136664.db2.gz HXQYYCLYYZGWKT-GXFFZTMASA-N -1 1 383.416 0.709 20 0 GCADMM CCc1nc(N[C@H]2CN(C(=O)Cc3cnoc3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571222612 953136688 /nfs/dbraw/zinc/13/66/88/953136688.db2.gz HXQYYCLYYZGWKT-GWCFXTLKSA-N -1 1 383.416 0.709 20 0 GCADMM CCc1nc(N[C@H]2CN(C(=O)Cc3cnoc3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571222612 953136693 /nfs/dbraw/zinc/13/66/93/953136693.db2.gz HXQYYCLYYZGWKT-GWCFXTLKSA-N -1 1 383.416 0.709 20 0 GCADMM CCc1nc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571222592 953136709 /nfs/dbraw/zinc/13/67/09/953136709.db2.gz JSZYVKYNIZCHDO-PHIMTYICSA-N -1 1 383.416 0.558 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)Cc1ccon1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571222680 953137375 /nfs/dbraw/zinc/13/73/75/953137375.db2.gz IVUNVTXDKGHLCH-CYBMUJFWSA-N -1 1 383.416 0.705 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)Cc1ccon1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571222680 953137378 /nfs/dbraw/zinc/13/73/78/953137378.db2.gz IVUNVTXDKGHLCH-CYBMUJFWSA-N -1 1 383.416 0.705 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222708 953137510 /nfs/dbraw/zinc/13/75/10/953137510.db2.gz JSCZDAHFADOTIN-QGZVFWFLSA-N -1 1 383.416 0.593 20 0 GCADMM CCc1[nH]ccc1C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001571222793 953138262 /nfs/dbraw/zinc/13/82/62/953138262.db2.gz LEGPSBFCABXZJJ-NSHDSACASA-N -1 1 383.416 0.182 20 0 GCADMM CCc1[nH]ccc1C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001571222793 953138265 /nfs/dbraw/zinc/13/82/65/953138265.db2.gz LEGPSBFCABXZJJ-NSHDSACASA-N -1 1 383.416 0.182 20 0 GCADMM CCc1ncoc1C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571222876 953139946 /nfs/dbraw/zinc/13/99/46/953139946.db2.gz NJPJJYFSOXRXKH-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1ncoc1C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571222876 953139948 /nfs/dbraw/zinc/13/99/48/953139948.db2.gz NJPJJYFSOXRXKH-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)co1 ZINC001571222899 953140059 /nfs/dbraw/zinc/14/00/59/953140059.db2.gz NBKZTCZQNMALEM-GHMZBOCLSA-N -1 1 383.416 0.449 20 0 GCADMM CCc1ocnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571223236 953142151 /nfs/dbraw/zinc/14/21/51/953142151.db2.gz QXTHCQUMLDDKBA-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571223579 953145045 /nfs/dbraw/zinc/14/50/45/953145045.db2.gz WFLODFNFFKIXEC-UHFFFAOYSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ncoc1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571223579 953145049 /nfs/dbraw/zinc/14/50/49/953145049.db2.gz WFLODFNFFKIXEC-UHFFFAOYSA-N -1 1 383.416 0.996 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2ccon2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571223783 953146841 /nfs/dbraw/zinc/14/68/41/953146841.db2.gz VLJPFEINBPOQEE-AAEUAGOBSA-N -1 1 383.416 0.926 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2ccon2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571223783 953146844 /nfs/dbraw/zinc/14/68/44/953146844.db2.gz VLJPFEINBPOQEE-AAEUAGOBSA-N -1 1 383.416 0.926 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571223885 953147684 /nfs/dbraw/zinc/14/76/84/953147684.db2.gz ZIKZNSYTUMXCJK-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571223885 953147687 /nfs/dbraw/zinc/14/76/87/953147687.db2.gz ZIKZNSYTUMXCJK-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)co1 ZINC001571224124 953149390 /nfs/dbraw/zinc/14/93/90/953149390.db2.gz YUCJTGHPLIFXOR-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)co1 ZINC001571224124 953149392 /nfs/dbraw/zinc/14/93/92/953149392.db2.gz YUCJTGHPLIFXOR-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCCc1nc(C)c(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571224143 953149617 /nfs/dbraw/zinc/14/96/17/953149617.db2.gz ZDQJWFRXNMKDIR-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCCc1nc(C)c(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571224143 953149620 /nfs/dbraw/zinc/14/96/20/953149620.db2.gz ZDQJWFRXNMKDIR-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)co1 ZINC001571224125 953149673 /nfs/dbraw/zinc/14/96/73/953149673.db2.gz YUCJTGHPLIFXOR-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)co1 ZINC001571224125 953149674 /nfs/dbraw/zinc/14/96/74/953149674.db2.gz YUCJTGHPLIFXOR-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM Cc1ncc(CC(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571224726 953150401 /nfs/dbraw/zinc/15/04/01/953150401.db2.gz FBGCQFIGXFALQY-GFCCVEGCSA-N -1 1 383.416 0.541 20 0 GCADMM Cc1ncc(CC(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571224726 953150403 /nfs/dbraw/zinc/15/04/03/953150403.db2.gz FBGCQFIGXFALQY-GFCCVEGCSA-N -1 1 383.416 0.541 20 0 GCADMM Cc1cc(CCC(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001571224949 953152182 /nfs/dbraw/zinc/15/21/82/953152182.db2.gz HCLFIXQJCUKCGP-LBPRGKRZSA-N -1 1 383.416 0.268 20 0 GCADMM Cc1c[nH]cc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571225288 953153141 /nfs/dbraw/zinc/15/31/41/953153141.db2.gz JJOWATGCXYCHMG-GFCCVEGCSA-N -1 1 383.416 0.319 20 0 GCADMM Cc1c[nH]cc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571225288 953153144 /nfs/dbraw/zinc/15/31/44/953153144.db2.gz JJOWATGCXYCHMG-GFCCVEGCSA-N -1 1 383.416 0.319 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571226404 953155326 /nfs/dbraw/zinc/15/53/26/953155326.db2.gz PWWOLWVMASQKTL-QGZVFWFLSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571226404 953155330 /nfs/dbraw/zinc/15/53/30/953155330.db2.gz PWWOLWVMASQKTL-QGZVFWFLSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571225966 953155438 /nfs/dbraw/zinc/15/54/38/953155438.db2.gz PGQQZMUYXPHOJI-GFCCVEGCSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571225966 953155439 /nfs/dbraw/zinc/15/54/39/953155439.db2.gz PGQQZMUYXPHOJI-GFCCVEGCSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1cc[nH]c1C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571226605 953155838 /nfs/dbraw/zinc/15/58/38/953155838.db2.gz SOBBJTJZKKVTNF-LBPRGKRZSA-N -1 1 383.416 0.636 20 0 GCADMM Cc1cc[nH]c1C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571226605 953155841 /nfs/dbraw/zinc/15/58/41/953155841.db2.gz SOBBJTJZKKVTNF-LBPRGKRZSA-N -1 1 383.416 0.636 20 0 GCADMM Cc1noc(C)c1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226668 953156951 /nfs/dbraw/zinc/15/69/51/953156951.db2.gz VLGYJMBTNCYOQS-LBPRGKRZSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1noc(C)c1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226668 953156953 /nfs/dbraw/zinc/15/69/53/953156953.db2.gz VLGYJMBTNCYOQS-LBPRGKRZSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1cnoc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571227102 953158367 /nfs/dbraw/zinc/15/83/67/953158367.db2.gz YPKLOYGLPWQGMC-NWDGAFQWSA-N -1 1 383.416 0.988 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001571227695 953158767 /nfs/dbraw/zinc/15/87/67/953158767.db2.gz AEEFNLWHUJKHOL-NEPJUHHUSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001571227695 953158770 /nfs/dbraw/zinc/15/87/70/953158770.db2.gz AEEFNLWHUJKHOL-NEPJUHHUSA-N -1 1 383.420 0.302 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001571227703 953158931 /nfs/dbraw/zinc/15/89/31/953158931.db2.gz AILXXWNRYKYPNG-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ncn(C)n3)C2)cc(-c2nnn[n-]2)n1 ZINC001571227788 953159683 /nfs/dbraw/zinc/15/96/83/953159683.db2.gz CAPZLDKTQXCPMQ-JTQLQIEISA-N -1 1 383.420 0.064 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ncn(C)n3)C2)cc(-c2nn[n-]n2)n1 ZINC001571227788 953159684 /nfs/dbraw/zinc/15/96/84/953159684.db2.gz CAPZLDKTQXCPMQ-JTQLQIEISA-N -1 1 383.420 0.064 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)n1 ZINC001571227794 953160144 /nfs/dbraw/zinc/16/01/44/953160144.db2.gz CDKQXAURTNVFFC-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571227794 953160145 /nfs/dbraw/zinc/16/01/45/953160145.db2.gz CDKQXAURTNVFFC-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227799 953160214 /nfs/dbraw/zinc/16/02/14/953160214.db2.gz CHYSUMRGWZWDTJ-QWRGUYRKSA-N -1 1 383.420 0.057 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227871 953160883 /nfs/dbraw/zinc/16/08/83/953160883.db2.gz DROIQWZHICECFQ-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227871 953160884 /nfs/dbraw/zinc/16/08/84/953160884.db2.gz DROIQWZHICECFQ-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM CCn1cc(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)nn1 ZINC001571227867 953160939 /nfs/dbraw/zinc/16/09/39/953160939.db2.gz DRKJPQNSOOEMHV-UHFFFAOYSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1cc(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001571227867 953160941 /nfs/dbraw/zinc/16/09/41/953160941.db2.gz DRKJPQNSOOEMHV-UHFFFAOYSA-N -1 1 383.420 0.232 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228089 953161439 /nfs/dbraw/zinc/16/14/39/953161439.db2.gz HWUOTKWPPOVXEK-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ncn(C)n2)CC1 ZINC001571228220 953163175 /nfs/dbraw/zinc/16/31/75/953163175.db2.gz LBPAMKGOGUGXQI-UHFFFAOYSA-N -1 1 383.420 0.282 20 0 GCADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ncn(C)n2)CC1 ZINC001571228220 953163176 /nfs/dbraw/zinc/16/31/76/953163176.db2.gz LBPAMKGOGUGXQI-UHFFFAOYSA-N -1 1 383.420 0.282 20 0 GCADMM CCn1nncc1C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228235 953163246 /nfs/dbraw/zinc/16/32/46/953163246.db2.gz LNBXKKMQIQCRGX-INIZCTEOSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1nncc1C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228235 953163248 /nfs/dbraw/zinc/16/32/48/953163248.db2.gz LNBXKKMQIQCRGX-INIZCTEOSA-N -1 1 383.420 0.232 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571228300 953163892 /nfs/dbraw/zinc/16/38/92/953163892.db2.gz MXGKFTDJYYTGNU-UNXYVOJBSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571228300 953163895 /nfs/dbraw/zinc/16/38/95/953163895.db2.gz MXGKFTDJYYTGNU-UNXYVOJBSA-N -1 1 383.420 0.349 20 0 GCADMM CCc1nc(NC[C@H]2CCCCN2C(=O)c2cn[nH]n2)cc(-c2nn[n-]n2)n1 ZINC001571228419 953164434 /nfs/dbraw/zinc/16/44/34/953164434.db2.gz OXMCDKYZJPRYKA-SNVBAGLBSA-N -1 1 383.420 0.444 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](NC(=O)c3cnn(CC)n3)C2)cc(-c2nnn[n-]2)n1 ZINC001571228672 953166076 /nfs/dbraw/zinc/16/60/76/953166076.db2.gz VLIKBJWVQCKJAA-MGCOHNPYSA-N -1 1 383.420 0.203 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](NC(=O)c3cnn(CC)n3)C2)cc(-c2nn[n-]n2)n1 ZINC001571228672 953166077 /nfs/dbraw/zinc/16/60/77/953166077.db2.gz VLIKBJWVQCKJAA-MGCOHNPYSA-N -1 1 383.420 0.203 20 0 GCADMM CCn1nncc1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571228845 953166559 /nfs/dbraw/zinc/16/65/59/953166559.db2.gz WKJFZFFEFMGOJA-UHFFFAOYSA-N -1 1 383.420 0.009 20 0 GCADMM CCn1nncc1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571228845 953166560 /nfs/dbraw/zinc/16/65/60/953166560.db2.gz WKJFZFFEFMGOJA-UHFFFAOYSA-N -1 1 383.420 0.009 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)n1 ZINC001571229255 953168704 /nfs/dbraw/zinc/16/87/04/953168704.db2.gz BHJDJBNMVHZVIT-NSHDSACASA-N -1 1 383.420 0.058 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)n1 ZINC001571229255 953168706 /nfs/dbraw/zinc/16/87/06/953168706.db2.gz BHJDJBNMVHZVIT-NSHDSACASA-N -1 1 383.420 0.058 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571230023 953173979 /nfs/dbraw/zinc/17/39/79/953173979.db2.gz QZFFQTHUHMUBQF-ONGXEEELSA-N -1 1 383.420 0.436 20 0 GCADMM C[C@]12CN(C(=O)c3nccs3)C[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571230229 953175296 /nfs/dbraw/zinc/17/52/96/953175296.db2.gz AUNGPHRYBQCORI-HWPZZCPQSA-N -1 1 383.441 0.712 20 0 GCADMM C[C@]12CN(C(=O)c3nccs3)C[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571230229 953175298 /nfs/dbraw/zinc/17/52/98/953175298.db2.gz AUNGPHRYBQCORI-HWPZZCPQSA-N -1 1 383.441 0.712 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3cn(C)nn3)CC2(C)C)n1 ZINC001571230325 953176251 /nfs/dbraw/zinc/17/62/51/953176251.db2.gz VILMPKGQOUIZDQ-GFCCVEGCSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3cn(C)nn3)CC2(C)C)n1 ZINC001571230325 953176253 /nfs/dbraw/zinc/17/62/53/953176253.db2.gz VILMPKGQOUIZDQ-GFCCVEGCSA-N -1 1 383.420 0.056 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1csc(C2CC2)n1 ZINC001571230591 953178395 /nfs/dbraw/zinc/17/83/95/953178395.db2.gz GSSCOPDKHJRBPS-SNVBAGLBSA-N -1 1 383.441 0.999 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1csc(C2CC2)n1 ZINC001571230591 953178397 /nfs/dbraw/zinc/17/83/97/953178397.db2.gz GSSCOPDKHJRBPS-SNVBAGLBSA-N -1 1 383.441 0.999 20 0 GCADMM Cc1c(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)nnn1C ZINC001571230620 953178931 /nfs/dbraw/zinc/17/89/31/953178931.db2.gz YVIZYLFLSDQRCW-LLVKDONJSA-N -1 1 383.420 0.200 20 0 GCADMM Cc1c(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)nnn1C ZINC001571230620 953178933 /nfs/dbraw/zinc/17/89/33/953178933.db2.gz YVIZYLFLSDQRCW-LLVKDONJSA-N -1 1 383.420 0.200 20 0 GCADMM C[C@@H]1C[C@H]1C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571233681 953194321 /nfs/dbraw/zinc/19/43/21/953194321.db2.gz AJPTYPRFEDNNJG-HZSPNIEDSA-N -1 1 383.460 0.036 20 0 GCADMM CO[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C ZINC001571234781 953205256 /nfs/dbraw/zinc/20/52/56/953205256.db2.gz INZUCUVKCQRPGQ-FNCVBFRFSA-N -1 1 383.865 0.952 20 0 GCADMM COc1ccc(F)cc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571234746 953205431 /nfs/dbraw/zinc/20/54/31/953205431.db2.gz HTWOVKOXUXKOQY-NSHDSACASA-N -1 1 384.375 0.813 20 0 GCADMM COc1ccc(F)cc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571234746 953205432 /nfs/dbraw/zinc/20/54/32/953205432.db2.gz HTWOVKOXUXKOQY-NSHDSACASA-N -1 1 384.375 0.813 20 0 GCADMM O=C(CC1CCC1)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001571234751 953205588 /nfs/dbraw/zinc/20/55/88/953205588.db2.gz HWHQRGQWSBPOHF-RKDXNWHRSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1n[nH]cc1F ZINC001571235051 953208511 /nfs/dbraw/zinc/20/85/11/953208511.db2.gz RACQQTHZKCFPJR-YFKPBYRVSA-N -1 1 383.800 0.848 20 0 GCADMM CO[C@H](C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1cccnc1)[C@@H]1CCOC1 ZINC001571235571 953213930 /nfs/dbraw/zinc/21/39/30/953213930.db2.gz IYDPXCMIBQZQAP-RISCZKNCSA-N -1 1 384.400 0.746 20 0 GCADMM CO[C@H](C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1cccnc1)[C@@H]1CCOC1 ZINC001571235571 953213932 /nfs/dbraw/zinc/21/39/32/953213932.db2.gz IYDPXCMIBQZQAP-RISCZKNCSA-N -1 1 384.400 0.746 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001571235883 953216120 /nfs/dbraw/zinc/21/61/20/953216120.db2.gz QSIHSVPKYRLCCG-URLYPYJESA-N -1 1 384.375 0.894 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)[C@H](F)c1ccccc1 ZINC001571236187 953216582 /nfs/dbraw/zinc/21/65/82/953216582.db2.gz ULZAXDTZUOLYNA-JHJVBQTASA-N -1 1 384.375 0.033 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)[C@H](F)c1ccccc1 ZINC001571236187 953216585 /nfs/dbraw/zinc/21/65/85/953216585.db2.gz ULZAXDTZUOLYNA-JHJVBQTASA-N -1 1 384.375 0.033 20 0 GCADMM CO[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1cc(C)c(C)o1 ZINC001571236427 953218023 /nfs/dbraw/zinc/21/80/23/953218023.db2.gz ZOTPQWFNBUELPT-TZMCWYRMSA-N -1 1 384.400 0.500 20 0 GCADMM CO[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1cc(C)c(C)o1 ZINC001571236427 953218028 /nfs/dbraw/zinc/21/80/28/953218028.db2.gz ZOTPQWFNBUELPT-TZMCWYRMSA-N -1 1 384.400 0.500 20 0 GCADMM Cc1occc1C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001571236988 953219764 /nfs/dbraw/zinc/21/97/64/953219764.db2.gz DTCHZDGQKIMNHK-LBPRGKRZSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1occc1C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001571236988 953219766 /nfs/dbraw/zinc/21/97/66/953219766.db2.gz DTCHZDGQKIMNHK-LBPRGKRZSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1ccc(CC(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571237191 953220551 /nfs/dbraw/zinc/22/05/51/953220551.db2.gz GEPVBHITGFHVBM-CYBMUJFWSA-N -1 1 384.400 0.440 20 0 GCADMM Cc1ccc(CC(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571237191 953220558 /nfs/dbraw/zinc/22/05/58/953220558.db2.gz GEPVBHITGFHVBM-CYBMUJFWSA-N -1 1 384.400 0.440 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cnon2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237247 953220626 /nfs/dbraw/zinc/22/06/26/953220626.db2.gz GPNICYGGWIZPGH-JTQLQIEISA-N -1 1 384.404 0.465 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cnon2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237247 953220627 /nfs/dbraw/zinc/22/06/27/953220627.db2.gz GPNICYGGWIZPGH-JTQLQIEISA-N -1 1 384.404 0.465 20 0 GCADMM O=C(c1ccoc1)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571237322 953220632 /nfs/dbraw/zinc/22/06/32/953220632.db2.gz HLGRXDHDAKRIPU-CYBMUJFWSA-N -1 1 384.400 0.353 20 0 GCADMM COc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571237697 953222813 /nfs/dbraw/zinc/22/28/13/953222813.db2.gz MAAIQQSLZJJPDD-QWRGUYRKSA-N -1 1 384.400 0.691 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571237698 953222937 /nfs/dbraw/zinc/22/29/37/953222937.db2.gz MAAIQQSLZJJPDD-WDEREUQCSA-N -1 1 384.400 0.691 20 0 GCADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2nonc2C)CC1 ZINC001571237903 953223030 /nfs/dbraw/zinc/22/30/30/953223030.db2.gz NMESWDFXIICPPN-UHFFFAOYSA-N -1 1 384.404 0.845 20 0 GCADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2nonc2C)CC1 ZINC001571237903 953223031 /nfs/dbraw/zinc/22/30/31/953223031.db2.gz NMESWDFXIICPPN-UHFFFAOYSA-N -1 1 384.404 0.845 20 0 GCADMM CCOc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571238038 953224428 /nfs/dbraw/zinc/22/44/28/953224428.db2.gz RTAAYXXCVZDBAM-JTQLQIEISA-N -1 1 384.404 0.035 20 0 GCADMM CCOc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571238038 953224430 /nfs/dbraw/zinc/22/44/30/953224430.db2.gz RTAAYXXCVZDBAM-JTQLQIEISA-N -1 1 384.404 0.035 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)oc1C ZINC001571238012 953224577 /nfs/dbraw/zinc/22/45/77/953224577.db2.gz QXSOYXUXEXFHMG-GFCCVEGCSA-N -1 1 384.400 0.820 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571238012 953224582 /nfs/dbraw/zinc/22/45/82/953224582.db2.gz QXSOYXUXEXFHMG-GFCCVEGCSA-N -1 1 384.400 0.820 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571238019 953224613 /nfs/dbraw/zinc/22/46/13/953224613.db2.gz RFNBHJNDPVIXEG-QGZVFWFLSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571238019 953224615 /nfs/dbraw/zinc/22/46/15/953224615.db2.gz RFNBHJNDPVIXEG-QGZVFWFLSA-N -1 1 384.400 0.637 20 0 GCADMM COc1c(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)cnn1C ZINC001571238466 953228709 /nfs/dbraw/zinc/22/87/09/953228709.db2.gz DKKRBNPQVXZFPP-SNVBAGLBSA-N -1 1 384.404 0.116 20 0 GCADMM COc1c(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)cnn1C ZINC001571238466 953228713 /nfs/dbraw/zinc/22/87/13/953228713.db2.gz DKKRBNPQVXZFPP-SNVBAGLBSA-N -1 1 384.404 0.116 20 0 GCADMM Cc1c[nH]c(C(=O)N2CCCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571238447 953229257 /nfs/dbraw/zinc/22/92/57/953229257.db2.gz COUKWSRITCMSAN-NSHDSACASA-N -1 1 384.404 0.031 20 0 GCADMM Cc1c[nH]c(C(=O)N2CCCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238447 953229259 /nfs/dbraw/zinc/22/92/59/953229259.db2.gz COUKWSRITCMSAN-NSHDSACASA-N -1 1 384.404 0.031 20 0 GCADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1ccnn1C1CCC1 ZINC001571238496 953229505 /nfs/dbraw/zinc/22/95/05/953229505.db2.gz FHXWGIIDJAYHCU-UHFFFAOYSA-N -1 1 384.404 0.600 20 0 GCADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1ccnn1C1CCC1 ZINC001571238496 953229508 /nfs/dbraw/zinc/22/95/08/953229508.db2.gz FHXWGIIDJAYHCU-UHFFFAOYSA-N -1 1 384.404 0.600 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)nn1C ZINC001571238575 953230674 /nfs/dbraw/zinc/23/06/74/953230674.db2.gz HHZNREZOEKCTLW-NXEZZACHSA-N -1 1 384.404 0.114 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)nn1C ZINC001571238575 953230676 /nfs/dbraw/zinc/23/06/76/953230676.db2.gz HHZNREZOEKCTLW-NXEZZACHSA-N -1 1 384.404 0.114 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)n1 ZINC001571238716 953232635 /nfs/dbraw/zinc/23/26/35/953232635.db2.gz KTAADAAUZLRATJ-MGCOHNPYSA-N -1 1 384.404 0.025 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)NC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571239288 953238163 /nfs/dbraw/zinc/23/81/63/953238163.db2.gz SLDCKRHAVJMKJS-UHFFFAOYSA-N -1 1 384.404 0.101 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)NC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571239288 953238165 /nfs/dbraw/zinc/23/81/65/953238165.db2.gz SLDCKRHAVJMKJS-UHFFFAOYSA-N -1 1 384.404 0.101 20 0 GCADMM Cn1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)[nH]c1=O ZINC001571239774 953243127 /nfs/dbraw/zinc/24/31/27/953243127.db2.gz XQDJJJPNEILHJD-LLVKDONJSA-N -1 1 384.404 0.059 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2)c1csnn1 ZINC001571241546 953247575 /nfs/dbraw/zinc/24/75/75/953247575.db2.gz CPGDHJLDDHGDIQ-GUBZILKMSA-N -1 1 384.429 0.296 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2)c1csnn1 ZINC001571241546 953247576 /nfs/dbraw/zinc/24/75/76/953247576.db2.gz CPGDHJLDDHGDIQ-GUBZILKMSA-N -1 1 384.429 0.296 20 0 GCADMM O=C(c1cnsn1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571241768 953249887 /nfs/dbraw/zinc/24/98/87/953249887.db2.gz KZNXAAZJLNOFGI-GXSJLCMTSA-N -1 1 384.429 0.249 20 0 GCADMM CO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001571242057 953253183 /nfs/dbraw/zinc/25/31/83/953253183.db2.gz AJPSCSTZSOUJRB-HUUCEWRRSA-N -1 1 384.444 0.867 20 0 GCADMM CO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001571242057 953253185 /nfs/dbraw/zinc/25/31/85/953253185.db2.gz AJPSCSTZSOUJRB-HUUCEWRRSA-N -1 1 384.444 0.867 20 0 GCADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571242188 953254076 /nfs/dbraw/zinc/25/40/76/953254076.db2.gz CBANNEFBWLEOJZ-IGQOVBAYSA-N -1 1 384.444 0.413 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571242385 953256265 /nfs/dbraw/zinc/25/62/65/953256265.db2.gz FEAPCVLLHOAUEI-YEGJMSHXSA-N -1 1 384.444 0.562 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571242385 953256268 /nfs/dbraw/zinc/25/62/68/953256268.db2.gz FEAPCVLLHOAUEI-YEGJMSHXSA-N -1 1 384.444 0.562 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571242510 953256955 /nfs/dbraw/zinc/25/69/55/953256955.db2.gz IDVWPGGNZIVXCF-MXOJCPGVSA-N -1 1 384.444 0.270 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571242510 953256959 /nfs/dbraw/zinc/25/69/59/953256959.db2.gz IDVWPGGNZIVXCF-MXOJCPGVSA-N -1 1 384.444 0.270 20 0 GCADMM CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001571242820 953260250 /nfs/dbraw/zinc/26/02/50/953260250.db2.gz OVGPCHSJDKIHOG-STQMWFEESA-N -1 1 384.444 0.653 20 0 GCADMM CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001571242820 953260251 /nfs/dbraw/zinc/26/02/51/953260251.db2.gz OVGPCHSJDKIHOG-STQMWFEESA-N -1 1 384.444 0.653 20 0 GCADMM CO[C@H](C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001571242930 953260815 /nfs/dbraw/zinc/26/08/15/953260815.db2.gz RFJQBPXOQCJKEN-CFVMTHIKSA-N -1 1 384.444 0.427 20 0 GCADMM CO[C@H](C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001571242930 953260819 /nfs/dbraw/zinc/26/08/19/953260819.db2.gz RFJQBPXOQCJKEN-CFVMTHIKSA-N -1 1 384.444 0.427 20 0 GCADMM CN(C(=O)[C@H]1C[C@@]12CCOC2)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571242961 953262069 /nfs/dbraw/zinc/26/20/69/953262069.db2.gz SALQBLHCCNRYCU-FZKQIMNGSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC001571243020 953262428 /nfs/dbraw/zinc/26/24/28/953262428.db2.gz UCKRHTCETJXSQW-STQMWFEESA-N -1 1 384.444 0.812 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC001571243044 953262462 /nfs/dbraw/zinc/26/24/62/953262462.db2.gz UOEAPYOKMVXRLX-JSGCOSHPSA-N -1 1 384.444 0.464 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571243023 953262743 /nfs/dbraw/zinc/26/27/43/953262743.db2.gz UGNXMILBUHWJBZ-BHPKHCPMSA-N -1 1 384.444 0.651 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571243023 953262744 /nfs/dbraw/zinc/26/27/44/953262744.db2.gz UGNXMILBUHWJBZ-BHPKHCPMSA-N -1 1 384.444 0.651 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)n1 ZINC001571243073 953262945 /nfs/dbraw/zinc/26/29/45/953262945.db2.gz VDEDSOLDFQECRL-PWNZVWSESA-N -1 1 384.444 0.475 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)n1 ZINC001571243073 953262949 /nfs/dbraw/zinc/26/29/49/953262949.db2.gz VDEDSOLDFQECRL-PWNZVWSESA-N -1 1 384.444 0.475 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(OC)C2)n1 ZINC001571243204 953263976 /nfs/dbraw/zinc/26/39/76/953263976.db2.gz YXAOAECGHXTFPU-GLZDBZJRSA-N -1 1 384.444 0.195 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(OC)C2)n1 ZINC001571243204 953263978 /nfs/dbraw/zinc/26/39/78/953263978.db2.gz YXAOAECGHXTFPU-GLZDBZJRSA-N -1 1 384.444 0.195 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cn(C)nc1C1CCC1 ZINC001571245013 953268796 /nfs/dbraw/zinc/26/87/96/953268796.db2.gz CHFLPGQFBZIHSP-UHFFFAOYSA-N -1 1 384.448 0.878 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cn(C)nc1C1CCC1 ZINC001571245013 953268801 /nfs/dbraw/zinc/26/88/01/953268801.db2.gz CHFLPGQFBZIHSP-UHFFFAOYSA-N -1 1 384.448 0.878 20 0 GCADMM CCn1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C2CC2)n1 ZINC001571245747 953276957 /nfs/dbraw/zinc/27/69/57/953276957.db2.gz LQSOBWYQRJHWTA-UHFFFAOYSA-N -1 1 384.448 0.971 20 0 GCADMM CCn1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C2CC2)n1 ZINC001571245747 953276961 /nfs/dbraw/zinc/27/69/61/953276961.db2.gz LQSOBWYQRJHWTA-UHFFFAOYSA-N -1 1 384.448 0.971 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571247708 953285055 /nfs/dbraw/zinc/28/50/55/953285055.db2.gz BXJQXPVHYOQUMB-AEGPPILISA-N -1 1 384.444 0.796 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571247708 953285059 /nfs/dbraw/zinc/28/50/59/953285059.db2.gz BXJQXPVHYOQUMB-AEGPPILISA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@H]1CCCOC1)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571247679 953285066 /nfs/dbraw/zinc/28/50/66/953285066.db2.gz BMQUJXAFEZMPMV-SCLBCKFNSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1CCCOC1)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571247679 953285069 /nfs/dbraw/zinc/28/50/69/953285069.db2.gz BMQUJXAFEZMPMV-SCLBCKFNSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571247706 953285297 /nfs/dbraw/zinc/28/52/97/953285297.db2.gz BVQMTDUUSXMHJF-VFVRVIDISA-N -1 1 384.444 0.298 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCOCC1 ZINC001571248050 953288787 /nfs/dbraw/zinc/28/87/87/953288787.db2.gz CQLOAUIZOMWZIQ-XFMPKHEZSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCOCC1 ZINC001571248050 953288791 /nfs/dbraw/zinc/28/87/91/953288791.db2.gz CQLOAUIZOMWZIQ-XFMPKHEZSA-N -1 1 384.444 0.699 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)C3CC4(CC4)C3)CCO2)n1 ZINC001571248537 953294302 /nfs/dbraw/zinc/29/43/02/953294302.db2.gz GAWNADITCPHVPW-ZDUSSCGKSA-N -1 1 384.444 0.795 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)C3CC4(CC4)C3)CCO2)n1 ZINC001571248537 953294305 /nfs/dbraw/zinc/29/43/05/953294305.db2.gz GAWNADITCPHVPW-ZDUSSCGKSA-N -1 1 384.444 0.795 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571248837 953297792 /nfs/dbraw/zinc/29/77/92/953297792.db2.gz JXRGRYPQRSIBMX-FOCJUVANSA-N -1 1 384.444 0.590 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571248837 953297796 /nfs/dbraw/zinc/29/77/96/953297796.db2.gz JXRGRYPQRSIBMX-FOCJUVANSA-N -1 1 384.444 0.590 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1=CCCCCC1 ZINC001571248801 953298254 /nfs/dbraw/zinc/29/82/54/953298254.db2.gz IUXLONRXLCNBOB-DZGCQCFKSA-N -1 1 384.444 0.603 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1=CCCCCC1 ZINC001571248801 953298258 /nfs/dbraw/zinc/29/82/58/953298258.db2.gz IUXLONRXLCNBOB-DZGCQCFKSA-N -1 1 384.444 0.603 20 0 GCADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571248810 953298304 /nfs/dbraw/zinc/29/83/04/953298304.db2.gz JBQMTFBBQNFQJE-DGAVXFQQSA-N -1 1 384.444 0.875 20 0 GCADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571248810 953298309 /nfs/dbraw/zinc/29/83/09/953298309.db2.gz JBQMTFBBQNFQJE-DGAVXFQQSA-N -1 1 384.444 0.875 20 0 GCADMM O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571248940 953298923 /nfs/dbraw/zinc/29/89/23/953298923.db2.gz MIYBFESJZHIPCP-PWNZVWSESA-N -1 1 384.444 0.297 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571248945 953298969 /nfs/dbraw/zinc/29/89/69/953298969.db2.gz MKPASWYQLGQLII-LXIYXOSZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571248945 953298973 /nfs/dbraw/zinc/29/89/73/953298973.db2.gz MKPASWYQLGQLII-LXIYXOSZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(CCC1CCOCC1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571249287 953303207 /nfs/dbraw/zinc/30/32/07/953303207.db2.gz NINYFWRMFALQNM-KBPBESRZSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(CCC1CCOCC1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571249287 953303212 /nfs/dbraw/zinc/30/32/12/953303212.db2.gz NINYFWRMFALQNM-KBPBESRZSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)[C@@H]1CCCCO1 ZINC001571249303 953303356 /nfs/dbraw/zinc/30/33/56/953303356.db2.gz NZTQHSRTQNTKFT-YEWDVWPNSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)[C@@H]1CCCCO1 ZINC001571249303 953303359 /nfs/dbraw/zinc/30/33/59/953303359.db2.gz NZTQHSRTQNTKFT-YEWDVWPNSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571249440 953306095 /nfs/dbraw/zinc/30/60/95/953306095.db2.gz PRDZKNIROTXHBO-MCIONIFRSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571249440 953306100 /nfs/dbraw/zinc/30/61/00/953306100.db2.gz PRDZKNIROTXHBO-MCIONIFRSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1CCCOC1 ZINC001571250362 953310301 /nfs/dbraw/zinc/31/03/01/953310301.db2.gz QZPYXXXBIGCNHG-LXIYXOSZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(CC1(O)CCC1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571251248 953316421 /nfs/dbraw/zinc/31/64/21/953316421.db2.gz SXYHIQSHUYVZKL-GXTWGEPZSA-N -1 1 384.444 0.389 20 0 GCADMM O=C(CC1(O)CCC1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571251248 953316423 /nfs/dbraw/zinc/31/64/23/953316423.db2.gz SXYHIQSHUYVZKL-GXTWGEPZSA-N -1 1 384.444 0.389 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC001571251701 953318987 /nfs/dbraw/zinc/31/89/87/953318987.db2.gz UOTZXLKZMKBVFV-AAEUAGOBSA-N -1 1 384.444 0.688 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC001571251701 953318992 /nfs/dbraw/zinc/31/89/92/953318992.db2.gz UOTZXLKZMKBVFV-AAEUAGOBSA-N -1 1 384.444 0.688 20 0 GCADMM O=C(C[C@H]1CCCCO1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571252167 953324342 /nfs/dbraw/zinc/32/43/42/953324342.db2.gz XPCUEDPTTIFSGD-GZBFAFLISA-N -1 1 384.444 0.653 20 0 GCADMM O=C(C[C@H]1CCCCO1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571252167 953324346 /nfs/dbraw/zinc/32/43/46/953324346.db2.gz XPCUEDPTTIFSGD-GZBFAFLISA-N -1 1 384.444 0.653 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571252187 953325049 /nfs/dbraw/zinc/32/50/49/953325049.db2.gz YBZSHMTWIKXBQN-FZKQIMNGSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1CCO[C@H]1C1CC1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571252196 953325462 /nfs/dbraw/zinc/32/54/62/953325462.db2.gz YOZHZUBTWLKJBV-ZENOOKHLSA-N -1 1 384.444 0.875 20 0 GCADMM O=C([C@@H]1CCO[C@H]1C1CC1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571252196 953325466 /nfs/dbraw/zinc/32/54/66/953325466.db2.gz YOZHZUBTWLKJBV-ZENOOKHLSA-N -1 1 384.444 0.875 20 0 GCADMM O=C([C@H]1CCOC1)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571252411 953327093 /nfs/dbraw/zinc/32/70/93/953327093.db2.gz ZXJFNEFNVZWFLS-SCLBCKFNSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1CCOC1)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571252411 953327097 /nfs/dbraw/zinc/32/70/97/953327097.db2.gz ZXJFNEFNVZWFLS-SCLBCKFNSA-N -1 1 384.444 0.512 20 0 GCADMM COc1nc(C(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)co1 ZINC001571254589 953340158 /nfs/dbraw/zinc/34/01/58/953340158.db2.gz AZPODYOGOLORHF-UHFFFAOYSA-N -1 1 385.388 0.394 20 0 GCADMM COCc1nocc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571255036 953343958 /nfs/dbraw/zinc/34/39/58/953343958.db2.gz FZPOQIRGAFZWBQ-NXEZZACHSA-N -1 1 385.388 0.506 20 0 GCADMM COCc1nocc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571255036 953343963 /nfs/dbraw/zinc/34/39/63/953343963.db2.gz FZPOQIRGAFZWBQ-NXEZZACHSA-N -1 1 385.388 0.506 20 0 GCADMM COc1nc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571255300 953347649 /nfs/dbraw/zinc/34/76/49/953347649.db2.gz HSEXJRVGDYVUDY-NXEZZACHSA-N -1 1 385.388 0.441 20 0 GCADMM Cc1cc(OCC(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)no1 ZINC001571255632 953352849 /nfs/dbraw/zinc/35/28/49/953352849.db2.gz KRUSYAPZTCVXQF-LLVKDONJSA-N -1 1 385.388 0.435 20 0 GCADMM Cc1cc(OCC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)no1 ZINC001571255632 953352855 /nfs/dbraw/zinc/35/28/55/953352855.db2.gz KRUSYAPZTCVXQF-LLVKDONJSA-N -1 1 385.388 0.435 20 0 GCADMM COc1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)co1 ZINC001571255737 953354650 /nfs/dbraw/zinc/35/46/50/953354650.db2.gz MFOIIPDJDAAHTF-NXEZZACHSA-N -1 1 385.388 0.759 20 0 GCADMM COc1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)co1 ZINC001571255737 953354654 /nfs/dbraw/zinc/35/46/54/953354654.db2.gz MFOIIPDJDAAHTF-NXEZZACHSA-N -1 1 385.388 0.759 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ncc(F)cc1F ZINC001571255914 953357474 /nfs/dbraw/zinc/35/74/74/953357474.db2.gz RKIJDJIVCJFQET-GDGBQDQQSA-N -1 1 385.338 0.195 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)co1 ZINC001571256002 953361522 /nfs/dbraw/zinc/36/15/22/953361522.db2.gz NWUKANNPXLTCMZ-ZJUUUORDSA-N -1 1 385.388 0.038 20 0 GCADMM COc1nc(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)co1 ZINC001571256037 953362057 /nfs/dbraw/zinc/36/20/57/953362057.db2.gz ORIKCIQGPFNKBY-NXEZZACHSA-N -1 1 385.388 0.156 20 0 GCADMM COc1nc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)co1 ZINC001571256037 953362067 /nfs/dbraw/zinc/36/20/67/953362067.db2.gz ORIKCIQGPFNKBY-NXEZZACHSA-N -1 1 385.388 0.156 20 0 GCADMM COc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571256020 953362115 /nfs/dbraw/zinc/36/21/15/953362115.db2.gz OIGGNNDLBZACRK-ZJUUUORDSA-N -1 1 385.388 0.441 20 0 GCADMM Cc1cc(OCC(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571256283 953366942 /nfs/dbraw/zinc/36/69/42/953366942.db2.gz RUKJGPREAPDHAF-LLVKDONJSA-N -1 1 385.388 0.069 20 0 GCADMM Cc1cc(OCC(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571256283 953366947 /nfs/dbraw/zinc/36/69/47/953366947.db2.gz RUKJGPREAPDHAF-LLVKDONJSA-N -1 1 385.388 0.069 20 0 GCADMM COCc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571256279 953366989 /nfs/dbraw/zinc/36/69/89/953366989.db2.gz RRIJTKWTDDUIRM-JTQLQIEISA-N -1 1 385.388 0.190 20 0 GCADMM COCc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571256279 953366996 /nfs/dbraw/zinc/36/69/96/953366996.db2.gz RRIJTKWTDDUIRM-JTQLQIEISA-N -1 1 385.388 0.190 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571256307 953367278 /nfs/dbraw/zinc/36/72/78/953367278.db2.gz SPQHCAWWZJWBKF-JTQLQIEISA-N -1 1 385.388 0.252 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571256307 953367283 /nfs/dbraw/zinc/36/72/83/953367283.db2.gz SPQHCAWWZJWBKF-JTQLQIEISA-N -1 1 385.388 0.252 20 0 GCADMM CCc1nc(NC[C@H]2CN(C(=O)c3ccon3)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571256249 953368402 /nfs/dbraw/zinc/36/84/02/953368402.db2.gz RDLZLVCXQSSUCX-JTQLQIEISA-N -1 1 385.388 0.160 20 0 GCADMM CCc1nc(NC[C@H]2CN(C(=O)c3ccon3)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571256249 953368411 /nfs/dbraw/zinc/36/84/11/953368411.db2.gz RDLZLVCXQSSUCX-JTQLQIEISA-N -1 1 385.388 0.160 20 0 GCADMM CCc1cc(CNC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)n[nH]1 ZINC001593630567 953578417 /nfs/dbraw/zinc/57/84/17/953578417.db2.gz FMEDRPMSXHQBBA-KRWDZBQOSA-N -1 1 382.417 0.679 20 0 GCADMM CCc1nnc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001593654378 953737191 /nfs/dbraw/zinc/73/71/91/953737191.db2.gz DRZXZCHDPJSCGV-HTRCEHHLSA-N -1 1 380.348 0.837 20 0 GCADMM C[C@@H]1CCCN1C(=O)CC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589332238 953950195 /nfs/dbraw/zinc/95/01/95/953950195.db2.gz DKRRFTCXNUQHRK-WZRBSPASSA-N -1 1 379.379 0.984 20 0 GCADMM CC(C)[C@H](CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)N1CCN(C)CC1 ZINC001602984403 972010852 /nfs/dbraw/zinc/01/08/52/972010852.db2.gz ZXUVWVFWNNZENG-CVEARBPZSA-N -1 1 397.520 0.023 20 0 GCADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccnc(CO)c1 ZINC001594890570 954518937 /nfs/dbraw/zinc/51/89/37/954518937.db2.gz QEGDWBOFISNCCJ-QWRGUYRKSA-N -1 1 375.303 0.310 20 0 GCADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccnc(CO)c1 ZINC001594890572 954519222 /nfs/dbraw/zinc/51/92/22/954519222.db2.gz QEGDWBOFISNCCJ-WDEREUQCSA-N -1 1 375.303 0.310 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)COc1ccsn1 ZINC001594891203 954528369 /nfs/dbraw/zinc/52/83/69/954528369.db2.gz VEPHSUPRUZWOHM-XCBNKYQSSA-N -1 1 381.332 0.645 20 0 GCADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ncccc1F ZINC001594891828 954537952 /nfs/dbraw/zinc/53/79/52/954537952.db2.gz XMASSMBSVQKWQN-JOYOIKCWSA-N -1 1 377.294 0.886 20 0 GCADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3ccc(Cc4nc[nH]n4)cc3)CC2)C1 ZINC001594897490 954580596 /nfs/dbraw/zinc/58/05/96/954580596.db2.gz MNJGSBZOWMYJMV-OAHLLOKOSA-N -1 1 397.435 0.933 20 0 GCADMM 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MFNMLMPZKLJQQN-SNVBAGLBSA-N -1 1 392.420 0.703 20 0 GCADMM Cc1oc(NC(=O)COC(=O)CN(C)C(=O)C2CC2)c(-c2nn[n-]n2)c1C ZINC000737552828 598846703 /nfs/dbraw/zinc/84/67/03/598846703.db2.gz QZGNDHRQUJOVFF-UHFFFAOYSA-N -1 1 376.373 0.427 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000737201544 598847115 /nfs/dbraw/zinc/84/71/15/598847115.db2.gz UIUBUNKEMGARSL-SECBINFHSA-N -1 1 394.457 0.162 20 0 GCADMM CC(=O)NC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735474033 598873455 /nfs/dbraw/zinc/87/34/55/598873455.db2.gz FORFGBXVFZXWBS-UHFFFAOYSA-N -1 1 384.849 0.809 20 0 GCADMM CC(=O)NC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735474033 598873456 /nfs/dbraw/zinc/87/34/56/598873456.db2.gz FORFGBXVFZXWBS-UHFFFAOYSA-N -1 1 384.849 0.809 20 0 GCADMM CNC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736869615 598874684 /nfs/dbraw/zinc/87/46/84/598874684.db2.gz AQOUGKDDHAIDHP-UHFFFAOYSA-N -1 1 384.849 0.667 20 0 GCADMM CNC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736869615 598874685 /nfs/dbraw/zinc/87/46/85/598874685.db2.gz AQOUGKDDHAIDHP-UHFFFAOYSA-N -1 1 384.849 0.667 20 0 GCADMM COC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736930702 598876234 /nfs/dbraw/zinc/87/62/34/598876234.db2.gz JYBBTGHLJZIORB-UHFFFAOYSA-N -1 1 375.366 0.745 20 0 GCADMM COC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736930702 598876236 /nfs/dbraw/zinc/87/62/36/598876236.db2.gz JYBBTGHLJZIORB-UHFFFAOYSA-N -1 1 375.366 0.745 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC1(O)CCCC1 ZINC000737486202 598894991 /nfs/dbraw/zinc/89/49/91/598894991.db2.gz BXZNMXHPFJWRIP-UHFFFAOYSA-N -1 1 384.444 0.880 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC1(O)CCCC1 ZINC000737486202 598894993 /nfs/dbraw/zinc/89/49/93/598894993.db2.gz BXZNMXHPFJWRIP-UHFFFAOYSA-N -1 1 384.444 0.880 20 0 GCADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000737301088 598929763 /nfs/dbraw/zinc/92/97/63/598929763.db2.gz HKQXJCXBVSVFEZ-UHFFFAOYSA-N -1 1 394.438 0.623 20 0 GCADMM CC(C)(C)NS(=O)(=O)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735622844 598958021 /nfs/dbraw/zinc/95/80/21/598958021.db2.gz HCUCKQDBPYJMEZ-UHFFFAOYSA-N -1 1 376.446 0.940 20 0 GCADMM CC(C)(C)NS(=O)(=O)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735622844 598958023 /nfs/dbraw/zinc/95/80/23/598958023.db2.gz HCUCKQDBPYJMEZ-UHFFFAOYSA-N -1 1 376.446 0.940 20 0 GCADMM O=C(CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)NC1CC1 ZINC000737883298 598957099 /nfs/dbraw/zinc/95/70/99/598957099.db2.gz PHPSNTVXZCINSX-UHFFFAOYSA-N -1 1 379.428 0.211 20 0 GCADMM O=C(CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)NC1CC1 ZINC000737883298 598957100 /nfs/dbraw/zinc/95/71/00/598957100.db2.gz PHPSNTVXZCINSX-UHFFFAOYSA-N -1 1 379.428 0.211 20 0 GCADMM COCCNC(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737007550 598958278 /nfs/dbraw/zinc/95/82/78/598958278.db2.gz VSZCDGFFSMBCRO-UHFFFAOYSA-N -1 1 382.428 0.789 20 0 GCADMM COCCNC(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737007550 598958279 /nfs/dbraw/zinc/95/82/79/598958279.db2.gz VSZCDGFFSMBCRO-UHFFFAOYSA-N -1 1 382.428 0.789 20 0 GCADMM O=S(=O)(CCNc1c2ccccc2nnc1-c1nnn[n-]1)NCC1CCC1 ZINC000738331781 598968547 /nfs/dbraw/zinc/96/85/47/598968547.db2.gz VYUBNTBRXUCDBP-UHFFFAOYSA-N -1 1 388.457 0.941 20 0 GCADMM O=S(=O)(CCNc1c2ccccc2nnc1-c1nn[n-]n1)NCC1CCC1 ZINC000738331781 598968549 /nfs/dbraw/zinc/96/85/49/598968549.db2.gz VYUBNTBRXUCDBP-UHFFFAOYSA-N -1 1 388.457 0.941 20 0 GCADMM Cc1c([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cccc1-c1nn[nH]n1 ZINC000822130859 607256052 /nfs/dbraw/zinc/25/60/52/607256052.db2.gz ZEJLJKFJTNVITO-UHFFFAOYSA-N -1 1 394.438 0.623 20 0 GCADMM CCO[C@H]1C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCC2 ZINC000736610429 598977747 /nfs/dbraw/zinc/97/77/47/598977747.db2.gz HJKYNHBWBRFNKN-RYUDHWBXSA-N -1 1 389.460 0.438 20 0 GCADMM O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738247209 598985893 /nfs/dbraw/zinc/98/58/93/598985893.db2.gz OLSFSISWEVGIAV-UHFFFAOYSA-N -1 1 380.364 0.953 20 0 GCADMM O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738247209 598985895 /nfs/dbraw/zinc/98/58/95/598985895.db2.gz OLSFSISWEVGIAV-UHFFFAOYSA-N -1 1 380.364 0.953 20 0 GCADMM CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736748565 598994054 /nfs/dbraw/zinc/99/40/54/598994054.db2.gz ZNGSVVSOGRHPLU-UHFFFAOYSA-N -1 1 381.396 0.659 20 0 GCADMM CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736748565 598994055 /nfs/dbraw/zinc/99/40/55/598994055.db2.gz ZNGSVVSOGRHPLU-UHFFFAOYSA-N -1 1 381.396 0.659 20 0 GCADMM COc1cccc(N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)CC2=O)c1 ZINC000737140910 599000438 /nfs/dbraw/zinc/00/04/38/599000438.db2.gz SPEDCANOOJAZJT-LBPRGKRZSA-N -1 1 379.380 0.806 20 0 GCADMM COc1cccc(N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)CC2=O)c1 ZINC000737140910 599000440 /nfs/dbraw/zinc/00/04/40/599000440.db2.gz SPEDCANOOJAZJT-LBPRGKRZSA-N -1 1 379.380 0.806 20 0 GCADMM CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735709196 599005887 /nfs/dbraw/zinc/00/58/87/599005887.db2.gz PWMZKROCSZENBS-GXFFZTMASA-N -1 1 375.458 0.938 20 0 GCADMM CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735709196 599005888 /nfs/dbraw/zinc/00/58/88/599005888.db2.gz PWMZKROCSZENBS-GXFFZTMASA-N -1 1 375.458 0.938 20 0 GCADMM CN(c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)S(C)(=O)=O ZINC000736842455 599005977 /nfs/dbraw/zinc/00/59/77/599005977.db2.gz SEMNSDTWJCJQJR-UHFFFAOYSA-N -1 1 387.425 0.588 20 0 GCADMM CN(c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)S(C)(=O)=O ZINC000736842455 599005979 /nfs/dbraw/zinc/00/59/79/599005979.db2.gz SEMNSDTWJCJQJR-UHFFFAOYSA-N -1 1 387.425 0.588 20 0 GCADMM CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000736710691 599006179 /nfs/dbraw/zinc/00/61/79/599006179.db2.gz LMDKMHOTROEVPX-LLVKDONJSA-N -1 1 383.416 0.726 20 0 GCADMM CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000736710691 599006181 /nfs/dbraw/zinc/00/61/81/599006181.db2.gz LMDKMHOTROEVPX-LLVKDONJSA-N -1 1 383.416 0.726 20 0 GCADMM O=C(COC(=O)c1ncccn1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737916537 599018451 /nfs/dbraw/zinc/01/84/51/599018451.db2.gz WKCMFQIAWLRSKH-UHFFFAOYSA-N -1 1 391.351 0.638 20 0 GCADMM O=C(COC(=O)c1ncccn1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737916537 599018453 /nfs/dbraw/zinc/01/84/53/599018453.db2.gz WKCMFQIAWLRSKH-UHFFFAOYSA-N -1 1 391.351 0.638 20 0 GCADMM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OCC(N)=O ZINC000737045652 599023934 /nfs/dbraw/zinc/02/39/34/599023934.db2.gz KAERQOHYKUGVFK-UHFFFAOYSA-N -1 1 383.368 0.064 20 0 GCADMM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OCC(N)=O ZINC000737045652 599023936 /nfs/dbraw/zinc/02/39/36/599023936.db2.gz KAERQOHYKUGVFK-UHFFFAOYSA-N -1 1 383.368 0.064 20 0 GCADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736204920 599028000 /nfs/dbraw/zinc/02/80/00/599028000.db2.gz TWGGTDBXQFLCGK-JTQLQIEISA-N -1 1 387.425 0.742 20 0 GCADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736204920 599028002 /nfs/dbraw/zinc/02/80/02/599028002.db2.gz TWGGTDBXQFLCGK-JTQLQIEISA-N -1 1 387.425 0.742 20 0 GCADMM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736886224 599028341 /nfs/dbraw/zinc/02/83/41/599028341.db2.gz FOIRMWNAMZAZCN-SNVBAGLBSA-N -1 1 387.425 0.661 20 0 GCADMM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736886224 599028342 /nfs/dbraw/zinc/02/83/42/599028342.db2.gz FOIRMWNAMZAZCN-SNVBAGLBSA-N -1 1 387.425 0.661 20 0 GCADMM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737744967 599028423 /nfs/dbraw/zinc/02/84/23/599028423.db2.gz DGPYBPKVUQHVHY-UHFFFAOYSA-N -1 1 380.368 0.119 20 0 GCADMM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737744967 599028425 /nfs/dbraw/zinc/02/84/25/599028425.db2.gz DGPYBPKVUQHVHY-UHFFFAOYSA-N -1 1 380.368 0.119 20 0 GCADMM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735536228 599028731 /nfs/dbraw/zinc/02/87/31/599028731.db2.gz CDTCIZPPWRJPOC-ZDUSSCGKSA-N -1 1 398.471 0.467 20 0 GCADMM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735536228 599028733 /nfs/dbraw/zinc/02/87/33/599028733.db2.gz CDTCIZPPWRJPOC-ZDUSSCGKSA-N -1 1 398.471 0.467 20 0 GCADMM COc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000737039312 599029742 /nfs/dbraw/zinc/02/97/42/599029742.db2.gz DNQDFFSGOBMXHY-UHFFFAOYSA-N -1 1 381.400 0.331 20 0 GCADMM COc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000737039312 599029744 /nfs/dbraw/zinc/02/97/44/599029744.db2.gz DNQDFFSGOBMXHY-UHFFFAOYSA-N -1 1 381.400 0.331 20 0 GCADMM COC(=O)CC(C)(C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736911597 599037110 /nfs/dbraw/zinc/03/71/10/599037110.db2.gz GSBWJIUNMVEMLM-UHFFFAOYSA-N -1 1 376.417 0.975 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](Cn2cccn2)c2ccccc2)n(C)c1=O ZINC000737594861 599044929 /nfs/dbraw/zinc/04/49/29/599044929.db2.gz CKVFULNOUKGYEL-CYBMUJFWSA-N -1 1 393.411 0.314 20 0 GCADMM Cn1cc(S(=O)(=O)N2CCC(Nc3cccc(-c4nnn[n-]4)n3)CC2)cn1 ZINC000737611355 599048095 /nfs/dbraw/zinc/04/80/95/599048095.db2.gz VRWMPHQWAVSYJT-UHFFFAOYSA-N -1 1 389.445 0.260 20 0 GCADMM Cn1cc(S(=O)(=O)N2CCC(Nc3cccc(-c4nn[n-]n4)n3)CC2)cn1 ZINC000737611355 599048098 /nfs/dbraw/zinc/04/80/98/599048098.db2.gz VRWMPHQWAVSYJT-UHFFFAOYSA-N -1 1 389.445 0.260 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000737775540 599055638 /nfs/dbraw/zinc/05/56/38/599055638.db2.gz APADPJIIBWTTDL-GFCCVEGCSA-N -1 1 396.411 0.603 20 0 GCADMM C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1cccc(F)c1 ZINC000820273996 599058733 /nfs/dbraw/zinc/05/87/33/599058733.db2.gz BFOKKCIKXSNFHQ-VIFPVBQESA-N -1 1 375.364 0.283 20 0 GCADMM C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1cccc(F)c1 ZINC000820273995 599059050 /nfs/dbraw/zinc/05/90/50/599059050.db2.gz BFOKKCIKXSNFHQ-SECBINFHSA-N -1 1 375.364 0.283 20 0 GCADMM CO[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(Cl)c1 ZINC000821676794 599090354 /nfs/dbraw/zinc/09/03/54/599090354.db2.gz HHDJIQICBFYDPI-NSHDSACASA-N -1 1 391.819 0.717 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(-n2ccnc2)c1 ZINC000820451313 599094925 /nfs/dbraw/zinc/09/49/25/599094925.db2.gz UULMTDLOWJZPDY-NSHDSACASA-N -1 1 393.411 0.623 20 0 GCADMM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737755646 599106739 /nfs/dbraw/zinc/10/67/39/599106739.db2.gz OFXMUXNFAJZXJS-LLVKDONJSA-N -1 1 380.368 0.269 20 0 GCADMM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737755646 599106740 /nfs/dbraw/zinc/10/67/40/599106740.db2.gz OFXMUXNFAJZXJS-LLVKDONJSA-N -1 1 380.368 0.269 20 0 GCADMM CCO[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCCC2 ZINC000736611891 599119585 /nfs/dbraw/zinc/11/95/85/599119585.db2.gz KPHAWDCQKQIWPC-VXGBXAGGSA-N -1 1 389.460 0.804 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@@H](C)[C@H](C)O)CC2)o1 ZINC000822422898 599131748 /nfs/dbraw/zinc/13/17/48/599131748.db2.gz FYKGAVAQGWOTPA-UWVGGRQHSA-N -1 1 381.462 0.314 20 0 GCADMM CN(C)C(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736752829 599131809 /nfs/dbraw/zinc/13/18/09/599131809.db2.gz DGTQKRVGQJALMT-UHFFFAOYSA-N -1 1 395.379 0.759 20 0 GCADMM CN(C)C(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736752829 599131811 /nfs/dbraw/zinc/13/18/11/599131811.db2.gz DGTQKRVGQJALMT-UHFFFAOYSA-N -1 1 395.379 0.759 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)NC1CCCCC1 ZINC000736158802 599132057 /nfs/dbraw/zinc/13/20/57/599132057.db2.gz SEBXERAUIGLKQT-JTQLQIEISA-N -1 1 387.400 0.966 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)NC1CCCCC1 ZINC000736158802 599132060 /nfs/dbraw/zinc/13/20/60/599132060.db2.gz SEBXERAUIGLKQT-JTQLQIEISA-N -1 1 387.400 0.966 20 0 GCADMM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736326599 599136974 /nfs/dbraw/zinc/13/69/74/599136974.db2.gz BPOOGPKYLCCADS-NOZJJQNGSA-N -1 1 376.373 0.122 20 0 GCADMM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736326599 599136975 /nfs/dbraw/zinc/13/69/75/599136975.db2.gz BPOOGPKYLCCADS-NOZJJQNGSA-N -1 1 376.373 0.122 20 0 GCADMM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736273017 599138997 /nfs/dbraw/zinc/13/89/97/599138997.db2.gz QUFVEMJAJPDKJD-CMPLNLGQSA-N -1 1 387.400 0.823 20 0 GCADMM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736273017 599138999 /nfs/dbraw/zinc/13/89/99/599138999.db2.gz QUFVEMJAJPDKJD-CMPLNLGQSA-N -1 1 387.400 0.823 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000737909732 599139792 /nfs/dbraw/zinc/13/97/92/599139792.db2.gz YHJUPRYSVSKSED-UHFFFAOYSA-N -1 1 380.324 0.639 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000737909732 599139794 /nfs/dbraw/zinc/13/97/94/599139794.db2.gz YHJUPRYSVSKSED-UHFFFAOYSA-N -1 1 380.324 0.639 20 0 GCADMM Cc1cccc(OCCNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737410072 599141662 /nfs/dbraw/zinc/14/16/62/599141662.db2.gz DVBIJGWDRVYQPL-UHFFFAOYSA-N -1 1 382.380 0.922 20 0 GCADMM Cc1cccc(OCCNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737410072 599141664 /nfs/dbraw/zinc/14/16/64/599141664.db2.gz DVBIJGWDRVYQPL-UHFFFAOYSA-N -1 1 382.380 0.922 20 0 GCADMM Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)cn1 ZINC000737603412 599179431 /nfs/dbraw/zinc/17/94/31/599179431.db2.gz KLYFEOAVKVWLLT-SNVBAGLBSA-N -1 1 377.405 0.918 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1nnnn1C1CC1 ZINC000822541313 599202837 /nfs/dbraw/zinc/20/28/37/599202837.db2.gz NIZUAFNDDDJRKH-UHFFFAOYSA-N -1 1 380.372 0.810 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1nnnn1C1CC1 ZINC000822541313 599202838 /nfs/dbraw/zinc/20/28/38/599202838.db2.gz NIZUAFNDDDJRKH-UHFFFAOYSA-N -1 1 380.372 0.810 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000822004881 599207349 /nfs/dbraw/zinc/20/73/49/599207349.db2.gz MBJCMEQYYABFPM-GAJTVXKRSA-N -1 1 399.455 0.642 20 0 GCADMM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])s1 ZINC000738533609 596908430 /nfs/dbraw/zinc/90/84/30/596908430.db2.gz ADZUBXRCKNLGQT-SNVBAGLBSA-N -1 1 377.488 0.582 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000739605953 596909091 /nfs/dbraw/zinc/90/90/91/596909091.db2.gz JGVUUSGBEUKOFP-UHFFFAOYSA-N -1 1 397.375 0.824 20 0 GCADMM CC(=O)N1CCCc2cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])ccc21 ZINC000677643382 596909388 /nfs/dbraw/zinc/90/93/88/596909388.db2.gz OHHVVCBONNDMGJ-UHFFFAOYSA-N -1 1 383.470 0.623 20 0 GCADMM C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)[O-])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000738949711 596918786 /nfs/dbraw/zinc/91/87/86/596918786.db2.gz CHVMOMXSUJSBCP-VXGBXAGGSA-N -1 1 383.470 0.696 20 0 GCADMM O=C([O-])C1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000740370054 596921247 /nfs/dbraw/zinc/92/12/47/596921247.db2.gz RTZCXBVEDAJUKO-UHFFFAOYSA-N -1 1 389.452 0.572 20 0 GCADMM CC(C)n1ncc2cc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)ccc21 ZINC000735964096 599232237 /nfs/dbraw/zinc/23/22/37/599232237.db2.gz VHFCKDBMLZUTTD-UHFFFAOYSA-N -1 1 381.400 0.938 20 0 GCADMM COC(=O)Cc1csc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000821663982 599233410 /nfs/dbraw/zinc/23/34/10/599233410.db2.gz XIWYKCYMJLSWRU-UHFFFAOYSA-N -1 1 395.426 0.259 20 0 GCADMM COC(=O)Cc1csc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821663982 599233412 /nfs/dbraw/zinc/23/34/12/599233412.db2.gz XIWYKCYMJLSWRU-UHFFFAOYSA-N -1 1 395.426 0.259 20 0 GCADMM CNC(=O)Cn1cnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000736878866 599229119 /nfs/dbraw/zinc/22/91/19/599229119.db2.gz JTACIZRLHDIKCY-UHFFFAOYSA-N -1 1 396.371 0.149 20 0 GCADMM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000819130513 597073776 /nfs/dbraw/zinc/07/37/76/597073776.db2.gz AFDWSTDAEFJADS-LBPRGKRZSA-N -1 1 381.454 0.410 20 0 GCADMM Cc1nnc([C@@H]2CN(C(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)CCO2)[nH]1 ZINC000818981242 597144459 /nfs/dbraw/zinc/14/44/59/597144459.db2.gz BTKJUWLPQZGQAC-GJZGRUSLSA-N -1 1 384.396 0.733 20 0 GCADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccccc3CC(=O)[O-])cnc21 ZINC000819057793 597315489 /nfs/dbraw/zinc/31/54/89/597315489.db2.gz AUFLAQWTWSETLA-UHFFFAOYSA-N -1 1 390.377 0.462 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1O ZINC000822458890 607297673 /nfs/dbraw/zinc/29/76/73/607297673.db2.gz IFSNVDFRJGOCSK-LSDHHAIUSA-N -1 1 384.444 0.879 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1O ZINC000822458890 607297674 /nfs/dbraw/zinc/29/76/74/607297674.db2.gz IFSNVDFRJGOCSK-LSDHHAIUSA-N -1 1 384.444 0.879 20 0 GCADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC000818236440 597515862 /nfs/dbraw/zinc/51/58/62/597515862.db2.gz CPJNYIZAOSRMPF-GFCCVEGCSA-N -1 1 378.429 0.365 20 0 GCADMM CC(=O)NCCN(C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)[C@@H](C)C(=O)[O-] ZINC000272659868 597693674 /nfs/dbraw/zinc/69/36/74/597693674.db2.gz SESONXZQDCSFKV-VIFPVBQESA-N -1 1 392.437 0.274 20 0 GCADMM COC(=O)N1CC(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821663625 607324708 /nfs/dbraw/zinc/32/47/08/607324708.db2.gz GTZBXPCFQGZGMR-UHFFFAOYSA-N -1 1 375.389 0.084 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCC(=O)OC(C)C ZINC000822004878 607323525 /nfs/dbraw/zinc/32/35/25/607323525.db2.gz MAXVOZKSWIPGER-UHFFFAOYSA-N -1 1 376.417 0.975 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCSCC3)C2)n(C)c1=O ZINC000822600077 607331462 /nfs/dbraw/zinc/33/14/62/607331462.db2.gz JKYLXODQQYMHCW-SNVBAGLBSA-N -1 1 393.473 0.121 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000823551596 607332351 /nfs/dbraw/zinc/33/23/51/607332351.db2.gz WQAJIHLYPCCODP-NSHDSACASA-N -1 1 392.379 0.158 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000823551596 607332352 /nfs/dbraw/zinc/33/23/52/607332352.db2.gz WQAJIHLYPCCODP-NSHDSACASA-N -1 1 392.379 0.158 20 0 GCADMM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000821470384 598174637 /nfs/dbraw/zinc/17/46/37/598174637.db2.gz OLLJRVWTRRJFDD-UHFFFAOYSA-N -1 1 375.425 0.894 20 0 GCADMM CN1CCN(C[C@@H]2CN(C(=O)NCc3cccc(C(=O)[O-])c3)CCO2)CC1 ZINC000820626538 598191100 /nfs/dbraw/zinc/19/11/00/598191100.db2.gz PRPIBIJFVUEUOZ-QGZVFWFLSA-N -1 1 376.457 0.543 20 0 GCADMM COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736931528 598259145 /nfs/dbraw/zinc/25/91/45/598259145.db2.gz XZFVOJQNRRAKLB-UHFFFAOYSA-N -1 1 375.366 0.745 20 0 GCADMM COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736931528 598259146 /nfs/dbraw/zinc/25/91/46/598259146.db2.gz XZFVOJQNRRAKLB-UHFFFAOYSA-N -1 1 375.366 0.745 20 0 GCADMM CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736791452 598260751 /nfs/dbraw/zinc/26/07/51/598260751.db2.gz NLTKQAYHSXPBKF-LLVKDONJSA-N -1 1 388.409 0.722 20 0 GCADMM CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736791452 598260752 /nfs/dbraw/zinc/26/07/52/598260752.db2.gz NLTKQAYHSXPBKF-LLVKDONJSA-N -1 1 388.409 0.722 20 0 GCADMM CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735835520 598261822 /nfs/dbraw/zinc/26/18/22/598261822.db2.gz JOZGRQISFJSLCR-UHFFFAOYSA-N -1 1 393.473 0.435 20 0 GCADMM CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735835520 598261824 /nfs/dbraw/zinc/26/18/24/598261824.db2.gz JOZGRQISFJSLCR-UHFFFAOYSA-N -1 1 393.473 0.435 20 0 GCADMM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000736913243 598262264 /nfs/dbraw/zinc/26/22/64/598262264.db2.gz ZQRUXSPPTSWSAS-LLVKDONJSA-N -1 1 394.438 0.906 20 0 GCADMM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000736913243 598262266 /nfs/dbraw/zinc/26/22/66/598262266.db2.gz ZQRUXSPPTSWSAS-LLVKDONJSA-N -1 1 394.438 0.906 20 0 GCADMM O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738304551 598262546 /nfs/dbraw/zinc/26/25/46/598262546.db2.gz OPJQRRBXFXCKIF-UHFFFAOYSA-N -1 1 399.436 0.867 20 0 GCADMM O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738304551 598262548 /nfs/dbraw/zinc/26/25/48/598262548.db2.gz OPJQRRBXFXCKIF-UHFFFAOYSA-N -1 1 399.436 0.867 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccco2)CC1 ZINC000738353740 598262968 /nfs/dbraw/zinc/26/29/68/598262968.db2.gz GIUKUVDXOOUXMX-UHFFFAOYSA-N -1 1 375.414 0.361 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccco2)CC1 ZINC000738353740 598262970 /nfs/dbraw/zinc/26/29/70/598262970.db2.gz GIUKUVDXOOUXMX-UHFFFAOYSA-N -1 1 375.414 0.361 20 0 GCADMM CN(C)C(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736752798 598263442 /nfs/dbraw/zinc/26/34/42/598263442.db2.gz CIMVWPKQZZMJNP-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM CN(C)C(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736752798 598263443 /nfs/dbraw/zinc/26/34/43/598263443.db2.gz CIMVWPKQZZMJNP-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM CC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735856161 598264883 /nfs/dbraw/zinc/26/48/83/598264883.db2.gz GDCHQBSGDLTOBD-UHFFFAOYSA-N -1 1 393.473 0.529 20 0 GCADMM CC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735856161 598264885 /nfs/dbraw/zinc/26/48/85/598264885.db2.gz GDCHQBSGDLTOBD-UHFFFAOYSA-N -1 1 393.473 0.529 20 0 GCADMM O=C1OCCN1c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738319432 598266110 /nfs/dbraw/zinc/26/61/10/598266110.db2.gz PZPWFWMGUSZRQL-UHFFFAOYSA-N -1 1 388.365 0.986 20 0 GCADMM O=C1OCCN1c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738319432 598266111 /nfs/dbraw/zinc/26/61/11/598266111.db2.gz PZPWFWMGUSZRQL-UHFFFAOYSA-N -1 1 388.365 0.986 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCN(c2nccs2)CC1 ZINC000738355780 598269396 /nfs/dbraw/zinc/26/93/96/598269396.db2.gz SMBKPWXMMAAKBQ-UHFFFAOYSA-N -1 1 392.470 0.619 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCN(c2nccs2)CC1 ZINC000738355780 598269397 /nfs/dbraw/zinc/26/93/97/598269397.db2.gz SMBKPWXMMAAKBQ-UHFFFAOYSA-N -1 1 392.470 0.619 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCCc2ccccc21 ZINC000737895076 598269502 /nfs/dbraw/zinc/26/95/02/598269502.db2.gz KVNSWCUFRAFPFD-UHFFFAOYSA-N -1 1 399.436 0.519 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCCc2ccccc21 ZINC000737895076 598269504 /nfs/dbraw/zinc/26/95/04/598269504.db2.gz KVNSWCUFRAFPFD-UHFFFAOYSA-N -1 1 399.436 0.519 20 0 GCADMM O=C1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CN1c1ccccc1 ZINC000738302392 598269536 /nfs/dbraw/zinc/26/95/36/598269536.db2.gz VNVYBMPAMUVBFD-NSHDSACASA-N -1 1 385.409 0.346 20 0 GCADMM O=C1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CN1c1ccccc1 ZINC000738302392 598269538 /nfs/dbraw/zinc/26/95/38/598269538.db2.gz VNVYBMPAMUVBFD-NSHDSACASA-N -1 1 385.409 0.346 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NCc1ccccc1 ZINC000737847738 598270379 /nfs/dbraw/zinc/27/03/79/598270379.db2.gz LKQKOXPIUWQQTL-UHFFFAOYSA-N -1 1 387.425 0.247 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NCc1ccccc1 ZINC000737847738 598270381 /nfs/dbraw/zinc/27/03/81/598270381.db2.gz LKQKOXPIUWQQTL-UHFFFAOYSA-N -1 1 387.425 0.247 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cccc(F)c1 ZINC000737894101 598270821 /nfs/dbraw/zinc/27/08/21/598270821.db2.gz DWPDAAJHGVXARY-UHFFFAOYSA-N -1 1 377.361 0.318 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cccc(F)c1 ZINC000737894101 598270823 /nfs/dbraw/zinc/27/08/23/598270823.db2.gz DWPDAAJHGVXARY-UHFFFAOYSA-N -1 1 377.361 0.318 20 0 GCADMM CCc1cccc(NC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736696741 598272252 /nfs/dbraw/zinc/27/22/52/598272252.db2.gz ACLKKCBJZNHLHB-UHFFFAOYSA-N -1 1 387.425 0.741 20 0 GCADMM CCc1cccc(NC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736696741 598272253 /nfs/dbraw/zinc/27/22/53/598272253.db2.gz ACLKKCBJZNHLHB-UHFFFAOYSA-N -1 1 387.425 0.741 20 0 GCADMM O=S(=O)(NCCc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337860 598272341 /nfs/dbraw/zinc/27/23/41/598272341.db2.gz HQPVBJOWXFSZHJ-UHFFFAOYSA-N -1 1 396.436 0.968 20 0 GCADMM O=S(=O)(NCCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337860 598272343 /nfs/dbraw/zinc/27/23/43/598272343.db2.gz HQPVBJOWXFSZHJ-UHFFFAOYSA-N -1 1 396.436 0.968 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C(N)=O)C(C)C ZINC000737488878 598288488 /nfs/dbraw/zinc/28/84/88/598288488.db2.gz ZJTCTDVTFMOCGT-CQSZACIVSA-N -1 1 386.416 0.512 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C(N)=O)C(C)C ZINC000737488878 598288490 /nfs/dbraw/zinc/28/84/90/598288490.db2.gz ZJTCTDVTFMOCGT-CQSZACIVSA-N -1 1 386.416 0.512 20 0 GCADMM CCCNC(=O)[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736481406 598307447 /nfs/dbraw/zinc/30/74/47/598307447.db2.gz PZRFZIPLICPTDL-LLVKDONJSA-N -1 1 376.417 0.975 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCO[C@H](c3ccccc3)C2)n(C)c1=O ZINC000737595120 598311147 /nfs/dbraw/zinc/31/11/47/598311147.db2.gz GTEWHQCQQQAOJZ-ZDUSSCGKSA-N -1 1 383.412 0.232 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)[C@H]2CCCO2)n(C)c1=O ZINC000737596405 598313219 /nfs/dbraw/zinc/31/32/19/598313219.db2.gz NEFUSUZQNIZVNP-OCCSQVGLSA-N -1 1 383.412 0.596 20 0 GCADMM O=C(CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)Nc1ccc(F)cc1 ZINC000737883055 598338140 /nfs/dbraw/zinc/33/81/40/598338140.db2.gz ONLLQBULUAZHPO-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM O=C(CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)Nc1ccc(F)cc1 ZINC000737883055 598338143 /nfs/dbraw/zinc/33/81/43/598338143.db2.gz ONLLQBULUAZHPO-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC000736223099 598339083 /nfs/dbraw/zinc/33/90/83/598339083.db2.gz HLIMATSZTSQBBX-ZIAGYGMSSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC000736223099 598339085 /nfs/dbraw/zinc/33/90/85/598339085.db2.gz HLIMATSZTSQBBX-ZIAGYGMSSA-N -1 1 385.476 0.283 20 0 GCADMM O=c1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc2sccn21 ZINC000738381103 598339440 /nfs/dbraw/zinc/33/94/40/598339440.db2.gz UITRGCNROJWYPZ-UHFFFAOYSA-N -1 1 396.440 0.048 20 0 GCADMM O=c1cc(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc2sccn21 ZINC000738381103 598339441 /nfs/dbraw/zinc/33/94/41/598339441.db2.gz UITRGCNROJWYPZ-UHFFFAOYSA-N -1 1 396.440 0.048 20 0 GCADMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n2ncnc2n1 ZINC000737272146 598339535 /nfs/dbraw/zinc/33/95/35/598339535.db2.gz PZMIGSSONOEUOD-NSHDSACASA-N -1 1 378.404 0.118 20 0 GCADMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n2ncnc2n1 ZINC000737272146 598339537 /nfs/dbraw/zinc/33/95/37/598339537.db2.gz PZMIGSSONOEUOD-NSHDSACASA-N -1 1 378.404 0.118 20 0 GCADMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n2ncnc2n1 ZINC000737272141 598340015 /nfs/dbraw/zinc/34/00/15/598340015.db2.gz PZMIGSSONOEUOD-LLVKDONJSA-N -1 1 378.404 0.118 20 0 GCADMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n2ncnc2n1 ZINC000737272141 598340017 /nfs/dbraw/zinc/34/00/17/598340017.db2.gz PZMIGSSONOEUOD-LLVKDONJSA-N -1 1 378.404 0.118 20 0 GCADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000735563310 598345022 /nfs/dbraw/zinc/34/50/22/598345022.db2.gz SSAIDHLXEKSOHR-LBPRGKRZSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000735563310 598345023 /nfs/dbraw/zinc/34/50/23/598345023.db2.gz SSAIDHLXEKSOHR-LBPRGKRZSA-N -1 1 397.418 0.945 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@@H](Cn3cncn3)C2)c(-c2nn[n-]n2)c1C ZINC000737552331 598353884 /nfs/dbraw/zinc/35/38/84/598353884.db2.gz NIVAXYJDIVWNRV-GFCCVEGCSA-N -1 1 387.404 0.008 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccccc2C1 ZINC000737894555 598356831 /nfs/dbraw/zinc/35/68/31/598356831.db2.gz GPEPTRRZZLINFU-UHFFFAOYSA-N -1 1 399.436 0.125 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccccc2C1 ZINC000737894555 598356833 /nfs/dbraw/zinc/35/68/33/598356833.db2.gz GPEPTRRZZLINFU-UHFFFAOYSA-N -1 1 399.436 0.125 20 0 GCADMM CCc1nn(Cc2cc(=O)n3cc(C)ccc3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706599 598378294 /nfs/dbraw/zinc/37/82/94/598378294.db2.gz MROMVHJYGUXXGQ-UHFFFAOYSA-N -1 1 392.423 0.913 20 0 GCADMM O=S(=O)(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cccs1 ZINC000738342965 598386192 /nfs/dbraw/zinc/38/61/92/598386192.db2.gz NVZVQUYQRRWPCM-UHFFFAOYSA-N -1 1 392.470 0.666 20 0 GCADMM O=S(=O)(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cccs1 ZINC000738342965 598386194 /nfs/dbraw/zinc/38/61/94/598386194.db2.gz NVZVQUYQRRWPCM-UHFFFAOYSA-N -1 1 392.470 0.666 20 0 GCADMM CC[C@@H]1C(=O)NCCN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736395031 598398630 /nfs/dbraw/zinc/39/86/30/598398630.db2.gz GKPLXDZQLRZDNZ-CQSZACIVSA-N -1 1 397.443 0.196 20 0 GCADMM CC[C@@H]1C(=O)NCCN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736395031 598398632 /nfs/dbraw/zinc/39/86/32/598398632.db2.gz GKPLXDZQLRZDNZ-CQSZACIVSA-N -1 1 397.443 0.196 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736609292 598408000 /nfs/dbraw/zinc/40/80/00/598408000.db2.gz FGBBYQRNDIHLQJ-JSGCOSHPSA-N -1 1 397.395 0.959 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736609292 598408002 /nfs/dbraw/zinc/40/80/02/598408002.db2.gz FGBBYQRNDIHLQJ-JSGCOSHPSA-N -1 1 397.395 0.959 20 0 GCADMM O=C(COC(=O)COCC1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737904920 598408533 /nfs/dbraw/zinc/40/85/33/598408533.db2.gz UKLVFZARNXMFIG-UHFFFAOYSA-N -1 1 397.395 0.961 20 0 GCADMM O=C(COC(=O)COCC1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737904920 598408534 /nfs/dbraw/zinc/40/85/34/598408534.db2.gz UKLVFZARNXMFIG-UHFFFAOYSA-N -1 1 397.395 0.961 20 0 GCADMM O=C(COC(=O)Cn1cccn1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737904578 598408613 /nfs/dbraw/zinc/40/86/13/598408613.db2.gz PPSHMRRJUIOCHR-UHFFFAOYSA-N -1 1 393.367 0.431 20 0 GCADMM O=C(COC(=O)Cn1cccn1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737904578 598408617 /nfs/dbraw/zinc/40/86/17/598408617.db2.gz PPSHMRRJUIOCHR-UHFFFAOYSA-N -1 1 393.367 0.431 20 0 GCADMM Cn1cc(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)cn1 ZINC000737605294 598408929 /nfs/dbraw/zinc/40/89/29/598408929.db2.gz LVPTYCMOGHWRCU-UHFFFAOYSA-N -1 1 393.367 0.581 20 0 GCADMM Cn1cc(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)cn1 ZINC000737605294 598408932 /nfs/dbraw/zinc/40/89/32/598408932.db2.gz LVPTYCMOGHWRCU-UHFFFAOYSA-N -1 1 393.367 0.581 20 0 GCADMM O=C(COC(=O)c1cnccn1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737916100 598409131 /nfs/dbraw/zinc/40/91/31/598409131.db2.gz SBZFYNZUKRIGRT-UHFFFAOYSA-N -1 1 391.351 0.638 20 0 GCADMM O=C(COC(=O)c1cnccn1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737916100 598409132 /nfs/dbraw/zinc/40/91/32/598409132.db2.gz SBZFYNZUKRIGRT-UHFFFAOYSA-N -1 1 391.351 0.638 20 0 GCADMM O=C(COC(=O)c1cnsn1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737916074 598409227 /nfs/dbraw/zinc/40/92/27/598409227.db2.gz RDRKENKHOXWBCM-UHFFFAOYSA-N -1 1 397.380 0.699 20 0 GCADMM O=C(COC(=O)c1cnsn1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737916074 598409228 /nfs/dbraw/zinc/40/92/28/598409228.db2.gz RDRKENKHOXWBCM-UHFFFAOYSA-N -1 1 397.380 0.699 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCn1cncn1 ZINC000737488890 598414670 /nfs/dbraw/zinc/41/46/70/598414670.db2.gz ZSIHGUVOHCGVAA-UHFFFAOYSA-N -1 1 382.388 0.294 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCn1cncn1 ZINC000737488890 598414671 /nfs/dbraw/zinc/41/46/71/598414671.db2.gz ZSIHGUVOHCGVAA-UHFFFAOYSA-N -1 1 382.388 0.294 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCN1CCOCC1 ZINC000737547503 598420051 /nfs/dbraw/zinc/42/00/51/598420051.db2.gz KDYSXFPVQDKCMA-UHFFFAOYSA-N -1 1 385.428 0.963 20 0 GCADMM O=S(=O)(CCNc1snc(Cl)c1-c1nnn[n-]1)N1CCSCC1 ZINC000738328900 598426498 /nfs/dbraw/zinc/42/64/98/598426498.db2.gz HJELNMIDOCPIMQ-UHFFFAOYSA-N -1 1 395.923 0.767 20 0 GCADMM O=S(=O)(CCNc1snc(Cl)c1-c1nn[n-]n1)N1CCSCC1 ZINC000738328900 598426501 /nfs/dbraw/zinc/42/65/01/598426501.db2.gz HJELNMIDOCPIMQ-UHFFFAOYSA-N -1 1 395.923 0.767 20 0 GCADMM CCOC(=O)C(C)(C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736584542 598449905 /nfs/dbraw/zinc/44/99/05/598449905.db2.gz IBPNUHSZYNGPRV-UHFFFAOYSA-N -1 1 376.417 0.975 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736909600 598453817 /nfs/dbraw/zinc/45/38/17/598453817.db2.gz QYBZWUGBWIGVBV-WDEREUQCSA-N -1 1 387.400 0.190 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2nccn2CC(F)(F)F)c1 ZINC000736940015 598504190 /nfs/dbraw/zinc/50/41/90/598504190.db2.gz KFLAUSOAKXUCQS-UHFFFAOYSA-N -1 1 383.290 0.622 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(n2cncn2)C1 ZINC000737488194 598505770 /nfs/dbraw/zinc/50/57/70/598505770.db2.gz QTEQRPWPWIZZDM-UHFFFAOYSA-N -1 1 393.415 0.134 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(n2cncn2)C1 ZINC000737488194 598505772 /nfs/dbraw/zinc/50/57/72/598505772.db2.gz QTEQRPWPWIZZDM-UHFFFAOYSA-N -1 1 393.415 0.134 20 0 GCADMM CC(C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccccc1 ZINC000735679057 598509475 /nfs/dbraw/zinc/50/94/75/598509475.db2.gz ZGPZSDAWUSWOLR-UHFFFAOYSA-N -1 1 387.425 0.957 20 0 GCADMM CC(C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccccc1 ZINC000735679057 598509477 /nfs/dbraw/zinc/50/94/77/598509477.db2.gz ZGPZSDAWUSWOLR-UHFFFAOYSA-N -1 1 387.425 0.957 20 0 GCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)nnn1-c1cccc2ncccc21 ZINC000737208811 598561954 /nfs/dbraw/zinc/56/19/54/598561954.db2.gz HCUDGZZCDZGJRF-UHFFFAOYSA-N -1 1 387.367 0.771 20 0 GCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)nnn1-c1cccc2cccnc21 ZINC000737209455 598568426 /nfs/dbraw/zinc/56/84/26/598568426.db2.gz QEQOWABYLIRTLK-UHFFFAOYSA-N -1 1 387.367 0.771 20 0 GCADMM CC(C)NC(=O)C(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000735880780 598570778 /nfs/dbraw/zinc/57/07/78/598570778.db2.gz CJNNGTYFWDJGIQ-UHFFFAOYSA-N -1 1 378.824 0.088 20 0 GCADMM CC(C)NC(=O)C(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000735880780 598570779 /nfs/dbraw/zinc/57/07/79/598570779.db2.gz CJNNGTYFWDJGIQ-UHFFFAOYSA-N -1 1 378.824 0.088 20 0 GCADMM CS(=O)(=O)CCN1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737163586 598592401 /nfs/dbraw/zinc/59/24/01/598592401.db2.gz ZUTVEIBCZDOYLH-UHFFFAOYSA-N -1 1 385.881 0.836 20 0 GCADMM CS(=O)(=O)CCN1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737163586 598592402 /nfs/dbraw/zinc/59/24/02/598592402.db2.gz ZUTVEIBCZDOYLH-UHFFFAOYSA-N -1 1 385.881 0.836 20 0 GCADMM C[C@@H](CO)NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000821994646 607362624 /nfs/dbraw/zinc/36/26/24/607362624.db2.gz BYOBSOQVRZAMEC-JTQLQIEISA-N -1 1 387.400 0.828 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2nc[nH]n2)no1 ZINC000737487487 598609936 /nfs/dbraw/zinc/60/99/36/598609936.db2.gz KHAGVRJSBIXHOH-UHFFFAOYSA-N -1 1 378.360 0.480 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2nc[nH]n2)no1 ZINC000737487487 598609937 /nfs/dbraw/zinc/60/99/37/598609937.db2.gz KHAGVRJSBIXHOH-UHFFFAOYSA-N -1 1 378.360 0.480 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)CCn1cccn1 ZINC000737488786 598626383 /nfs/dbraw/zinc/62/63/83/598626383.db2.gz XHBFUHIYDUUGOD-UHFFFAOYSA-N -1 1 394.443 0.814 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)CCn1cccn1 ZINC000737488786 598626385 /nfs/dbraw/zinc/62/63/85/598626385.db2.gz XHBFUHIYDUUGOD-UHFFFAOYSA-N -1 1 394.443 0.814 20 0 GCADMM CNS(=O)(=O)C1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000736882648 598627040 /nfs/dbraw/zinc/62/70/40/598627040.db2.gz MXSRFGIIKWPQBW-UHFFFAOYSA-N -1 1 397.461 0.029 20 0 GCADMM CCc1nn(Cc2cc(=O)n3ccsc3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706010 598642264 /nfs/dbraw/zinc/64/22/64/598642264.db2.gz FNCVJGBVBCPKOK-UHFFFAOYSA-N -1 1 384.425 0.666 20 0 GCADMM CCc1nn(CC(=O)c2cc(C(=O)OC)co2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706403 598642620 /nfs/dbraw/zinc/64/26/20/598642620.db2.gz VZZALYJKCJKFSN-UHFFFAOYSA-N -1 1 386.368 0.811 20 0 GCADMM CCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000821087580 607363793 /nfs/dbraw/zinc/36/37/93/607363793.db2.gz DDVUQGTZTCODEB-LBPRGKRZSA-N -1 1 396.473 0.914 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccc(C(=O)N3CCCC3)cc2)n(C)c1=O ZINC000737597178 598673533 /nfs/dbraw/zinc/67/35/33/598673533.db2.gz RBTNIGQOLJZUAN-UHFFFAOYSA-N -1 1 397.395 0.292 20 0 GCADMM O=C(NC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC000738032613 598690680 /nfs/dbraw/zinc/69/06/80/598690680.db2.gz PEBOTBRWARFOQS-UHFFFAOYSA-N -1 1 394.432 0.685 20 0 GCADMM O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737833646 598690992 /nfs/dbraw/zinc/69/09/92/598690992.db2.gz ZHJSPGPWWWCVMK-AWEZNQCLSA-N -1 1 399.415 0.529 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCCS(=O)(=O)CC1 ZINC000737548379 598693811 /nfs/dbraw/zinc/69/38/11/598693811.db2.gz PGYMLHARADFXDW-UHFFFAOYSA-N -1 1 390.425 0.820 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCCS(=O)(=O)CC1 ZINC000737548379 598693813 /nfs/dbraw/zinc/69/38/13/598693813.db2.gz PGYMLHARADFXDW-UHFFFAOYSA-N -1 1 390.425 0.820 20 0 GCADMM CC(C)(C)OC(=O)NCC(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735670271 598694554 /nfs/dbraw/zinc/69/45/54/598694554.db2.gz LNCKRVHOEOQMDS-UHFFFAOYSA-N -1 1 397.461 0.843 20 0 GCADMM CC(C)(C)OC(=O)NCC(C)(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735670271 598694555 /nfs/dbraw/zinc/69/45/55/598694555.db2.gz LNCKRVHOEOQMDS-UHFFFAOYSA-N -1 1 397.461 0.843 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(C2OCCO2)CC1 ZINC000738355242 598694577 /nfs/dbraw/zinc/69/45/77/598694577.db2.gz LMCGOMBPVFCOSY-UHFFFAOYSA-N -1 1 383.405 0.779 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCS(C)(=O)=O ZINC000737199007 598706186 /nfs/dbraw/zinc/70/61/86/598706186.db2.gz FITQPGGPRIOKRF-UHFFFAOYSA-N -1 1 383.430 0.495 20 0 GCADMM CC(C)(C)NC(=O)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735622528 598718810 /nfs/dbraw/zinc/71/88/10/598718810.db2.gz ARQLFBZCEUQRNR-UHFFFAOYSA-N -1 1 383.412 0.213 20 0 GCADMM O=C([C@@H](O)c1cccnc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737780247 598719098 /nfs/dbraw/zinc/71/90/98/598719098.db2.gz ALKXAHIFHMZUTQ-AWEZNQCLSA-N -1 1 396.411 0.509 20 0 GCADMM CCn1nc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)ccc1=O ZINC000736729081 598724696 /nfs/dbraw/zinc/72/46/96/598724696.db2.gz TXBVPKXTTTYSNG-UHFFFAOYSA-N -1 1 387.356 0.449 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Br)cn2)c1=O ZINC000736714945 598752094 /nfs/dbraw/zinc/75/20/94/598752094.db2.gz XIMZAYWJIIZXDJ-UHFFFAOYSA-N -1 1 378.190 0.416 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000737548837 598754903 /nfs/dbraw/zinc/75/49/03/598754903.db2.gz SEYDYYXLXYWELJ-SNVBAGLBSA-N -1 1 391.413 0.062 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000737548837 598754905 /nfs/dbraw/zinc/75/49/05/598754905.db2.gz SEYDYYXLXYWELJ-SNVBAGLBSA-N -1 1 391.413 0.062 20 0 GCADMM CC(C)(C)[C@@H](O)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735588611 598761269 /nfs/dbraw/zinc/76/12/69/598761269.db2.gz FGYHTESTJUPWSD-AWEZNQCLSA-N -1 1 399.411 0.941 20 0 GCADMM CC(C)(C)[C@@H](O)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735588611 598761270 /nfs/dbraw/zinc/76/12/70/598761270.db2.gz FGYHTESTJUPWSD-AWEZNQCLSA-N -1 1 399.411 0.941 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1Cn1cncn1 ZINC000738354747 598777514 /nfs/dbraw/zinc/77/75/14/598777514.db2.gz KLFWYNDOTQETKG-SNVBAGLBSA-N -1 1 378.393 0.451 20 0 GCADMM COC[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736967945 598779009 /nfs/dbraw/zinc/77/90/09/598779009.db2.gz OBFPCGOIUHKVGZ-LLVKDONJSA-N -1 1 385.384 0.817 20 0 GCADMM COC[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736967945 598779010 /nfs/dbraw/zinc/77/90/10/598779010.db2.gz OBFPCGOIUHKVGZ-LLVKDONJSA-N -1 1 385.384 0.817 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CCCO[C@H]2C(C)(C)C)n(C)c1=O ZINC000737597163 599305830 /nfs/dbraw/zinc/30/58/30/599305830.db2.gz QRGSQVMTJKNTHA-ZYHUDNBSSA-N -1 1 377.449 0.517 20 0 GCADMM CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821575754 599335509 /nfs/dbraw/zinc/33/55/09/599335509.db2.gz OMYPPYSKALPBDK-UHFFFAOYSA-N -1 1 382.421 0.495 20 0 GCADMM CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821575754 599335512 /nfs/dbraw/zinc/33/55/12/599335512.db2.gz OMYPPYSKALPBDK-UHFFFAOYSA-N -1 1 382.421 0.495 20 0 GCADMM O=C(NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1)C1CC1 ZINC000823155291 599338929 /nfs/dbraw/zinc/33/89/29/599338929.db2.gz QQFLEPVGQAQNQH-UHFFFAOYSA-N -1 1 394.432 0.685 20 0 GCADMM O=C(NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1)C1CC1 ZINC000823155291 599338933 /nfs/dbraw/zinc/33/89/33/599338933.db2.gz QQFLEPVGQAQNQH-UHFFFAOYSA-N -1 1 394.432 0.685 20 0 GCADMM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC000822207336 599338989 /nfs/dbraw/zinc/33/89/89/599338989.db2.gz SAOHAVDJXBRINO-UHFFFAOYSA-N -1 1 395.376 0.561 20 0 GCADMM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)no1 ZINC000822207336 599338992 /nfs/dbraw/zinc/33/89/92/599338992.db2.gz SAOHAVDJXBRINO-UHFFFAOYSA-N -1 1 395.376 0.561 20 0 GCADMM CC(=O)NCC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000819810368 599339784 /nfs/dbraw/zinc/33/97/84/599339784.db2.gz IRNAWSIFWHWCLO-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM CC(=O)NCC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000819810368 599339786 /nfs/dbraw/zinc/33/97/86/599339786.db2.gz IRNAWSIFWHWCLO-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821114461 599340053 /nfs/dbraw/zinc/34/00/53/599340053.db2.gz SRXPUBBGSYFMOE-LLVKDONJSA-N -1 1 396.448 0.933 20 0 GCADMM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821114461 599340056 /nfs/dbraw/zinc/34/00/56/599340056.db2.gz SRXPUBBGSYFMOE-LLVKDONJSA-N -1 1 396.448 0.933 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(CC(F)F)CC1 ZINC000823607058 599341032 /nfs/dbraw/zinc/34/10/32/599341032.db2.gz PQYAZDSJQNGQER-UHFFFAOYSA-N -1 1 376.364 0.577 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(CC(F)F)CC1 ZINC000823607058 599341033 /nfs/dbraw/zinc/34/10/33/599341033.db2.gz PQYAZDSJQNGQER-UHFFFAOYSA-N -1 1 376.364 0.577 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(CCc3ccccc3)no2)c1=O ZINC000821565203 599341713 /nfs/dbraw/zinc/34/17/13/599341713.db2.gz IPUALWXJEQZKRE-UHFFFAOYSA-N -1 1 394.395 0.427 20 0 GCADMM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000822864575 599342777 /nfs/dbraw/zinc/34/27/77/599342777.db2.gz DPJFEGCDMJGFEI-SNVBAGLBSA-N -1 1 382.421 0.672 20 0 GCADMM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000822864575 599342780 /nfs/dbraw/zinc/34/27/80/599342780.db2.gz DPJFEGCDMJGFEI-SNVBAGLBSA-N -1 1 382.421 0.672 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000821656893 599343066 /nfs/dbraw/zinc/34/30/66/599343066.db2.gz BLGMDSUGUWYWTQ-SNVBAGLBSA-N -1 1 387.805 0.083 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCn2c(nnc2C2CC2)C1 ZINC000823606814 599343703 /nfs/dbraw/zinc/34/37/03/599343703.db2.gz NRHVXUZHTKCSHC-UHFFFAOYSA-N -1 1 390.404 0.679 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCn2c(nnc2C2CC2)C1 ZINC000823606814 599343705 /nfs/dbraw/zinc/34/37/05/599343705.db2.gz NRHVXUZHTKCSHC-UHFFFAOYSA-N -1 1 390.404 0.679 20 0 GCADMM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000819933205 599344269 /nfs/dbraw/zinc/34/42/69/599344269.db2.gz JRXIQPSMDCLLNG-UHFFFAOYSA-N -1 1 381.418 0.159 20 0 GCADMM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000819933205 599344271 /nfs/dbraw/zinc/34/42/71/599344271.db2.gz JRXIQPSMDCLLNG-UHFFFAOYSA-N -1 1 381.418 0.159 20 0 GCADMM COCCOC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821691792 599345493 /nfs/dbraw/zinc/34/54/93/599345493.db2.gz FGBQRAVFLFYMTM-UHFFFAOYSA-N -1 1 385.421 0.822 20 0 GCADMM COCCOC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821691792 599345495 /nfs/dbraw/zinc/34/54/95/599345495.db2.gz FGBQRAVFLFYMTM-UHFFFAOYSA-N -1 1 385.421 0.822 20 0 GCADMM COCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC000821691397 599345886 /nfs/dbraw/zinc/34/58/86/599345886.db2.gz SRCGVUMZZMHTET-NSHDSACASA-N -1 1 384.437 0.347 20 0 GCADMM COCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC000821691397 599345887 /nfs/dbraw/zinc/34/58/87/599345887.db2.gz SRCGVUMZZMHTET-NSHDSACASA-N -1 1 384.437 0.347 20 0 GCADMM CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821616912 599349616 /nfs/dbraw/zinc/34/96/16/599349616.db2.gz NMIJFXQTJIKKBX-UHFFFAOYSA-N -1 1 384.425 0.969 20 0 GCADMM CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821616912 599349619 /nfs/dbraw/zinc/34/96/19/599349619.db2.gz NMIJFXQTJIKKBX-UHFFFAOYSA-N -1 1 384.425 0.969 20 0 GCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(-n2cccn2)cc1 ZINC000820449671 599357004 /nfs/dbraw/zinc/35/70/04/599357004.db2.gz ADMLPWKYOYITJX-LLVKDONJSA-N -1 1 393.411 0.623 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000823600638 599373447 /nfs/dbraw/zinc/37/34/47/599373447.db2.gz JKGWSBLTLFFRSE-CYBMUJFWSA-N -1 1 393.473 0.137 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000823600638 599373450 /nfs/dbraw/zinc/37/34/50/599373450.db2.gz JKGWSBLTLFFRSE-CYBMUJFWSA-N -1 1 393.473 0.137 20 0 GCADMM COCCN(CCC(=O)OC)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821689321 599412918 /nfs/dbraw/zinc/41/29/18/599412918.db2.gz WDGXHAQXTZNTCF-UHFFFAOYSA-N -1 1 396.429 0.341 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000822535635 599448702 /nfs/dbraw/zinc/44/87/02/599448702.db2.gz YYYNYPRLCTZJRU-GFCCVEGCSA-N -1 1 382.384 0.756 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000822535635 599448704 /nfs/dbraw/zinc/44/87/04/599448704.db2.gz YYYNYPRLCTZJRU-GFCCVEGCSA-N -1 1 382.384 0.756 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@](C)(O)C(C)C ZINC000822458931 599489255 /nfs/dbraw/zinc/48/92/55/599489255.db2.gz JJVLKLFYNKUXOS-GOSISDBHSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@](C)(O)C(C)C ZINC000822458931 599489258 /nfs/dbraw/zinc/48/92/58/599489258.db2.gz JJVLKLFYNKUXOS-GOSISDBHSA-N -1 1 386.460 0.982 20 0 GCADMM COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821691559 599493078 /nfs/dbraw/zinc/49/30/78/599493078.db2.gz YTBOFIKQVFOQDC-CYBMUJFWSA-N -1 1 376.373 0.962 20 0 GCADMM COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821691559 599493080 /nfs/dbraw/zinc/49/30/80/599493080.db2.gz YTBOFIKQVFOQDC-CYBMUJFWSA-N -1 1 376.373 0.962 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCc2cnc(N(C)C)n2C)cc1-c1nn[n-]n1 ZINC000737187799 599495604 /nfs/dbraw/zinc/49/56/04/599495604.db2.gz VOEWRWAUUXFCHP-UHFFFAOYSA-N -1 1 389.445 0.419 20 0 GCADMM COc1cc(C)ccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000737039497 599506488 /nfs/dbraw/zinc/50/64/88/599506488.db2.gz GOTMFRILZKVDBH-UHFFFAOYSA-N -1 1 399.415 0.177 20 0 GCADMM COc1cc(C)ccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000737039497 599506491 /nfs/dbraw/zinc/50/64/91/599506491.db2.gz GOTMFRILZKVDBH-UHFFFAOYSA-N -1 1 399.415 0.177 20 0 GCADMM C[C@H]1COCCN1c1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000736292157 599535346 /nfs/dbraw/zinc/53/53/46/599535346.db2.gz HAHGCPISZJIJGV-NSHDSACASA-N -1 1 398.427 0.233 20 0 GCADMM COc1ccccc1[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000737149957 599537177 /nfs/dbraw/zinc/53/71/77/599537177.db2.gz ZXLOUWYVQAKMRG-NSHDSACASA-N -1 1 383.412 0.267 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000737486774 599556310 /nfs/dbraw/zinc/55/63/10/599556310.db2.gz DLXGYKTZCAMUTH-LBPRGKRZSA-N -1 1 397.443 0.196 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000737486774 599556312 /nfs/dbraw/zinc/55/63/12/599556312.db2.gz DLXGYKTZCAMUTH-LBPRGKRZSA-N -1 1 397.443 0.196 20 0 GCADMM Cc1cc(S(=O)(=O)NCCNc2nccnc2-c2nnn[n-]2)c(C)s1 ZINC000822211676 607384008 /nfs/dbraw/zinc/38/40/08/607384008.db2.gz KNUBIRRHXHORLZ-UHFFFAOYSA-N -1 1 380.459 0.725 20 0 GCADMM Cc1cc(S(=O)(=O)NCCNc2nccnc2-c2nn[n-]n2)c(C)s1 ZINC000822211676 607384010 /nfs/dbraw/zinc/38/40/10/607384010.db2.gz KNUBIRRHXHORLZ-UHFFFAOYSA-N -1 1 380.459 0.725 20 0 GCADMM O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738077642 599574188 /nfs/dbraw/zinc/57/41/88/599574188.db2.gz IEZJMYLRCBPJCX-UHFFFAOYSA-N -1 1 379.306 0.912 20 0 GCADMM O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738077642 599574190 /nfs/dbraw/zinc/57/41/90/599574190.db2.gz IEZJMYLRCBPJCX-UHFFFAOYSA-N -1 1 379.306 0.912 20 0 GCADMM CCOC(=O)CNC(=O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821330521 607385167 /nfs/dbraw/zinc/38/51/67/607385167.db2.gz MKFSKYKIHGTHLZ-UHFFFAOYSA-N -1 1 393.835 0.811 20 0 GCADMM CCOC(=O)CNC(=O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821330521 607385168 /nfs/dbraw/zinc/38/51/68/607385168.db2.gz MKFSKYKIHGTHLZ-UHFFFAOYSA-N -1 1 393.835 0.811 20 0 GCADMM COc1ccc([C@H](C)CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000821777451 599588110 /nfs/dbraw/zinc/58/81/10/599588110.db2.gz FPFISAKNHKVYQR-LLVKDONJSA-N -1 1 385.428 0.878 20 0 GCADMM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)[C@@H]1CCN(C)C1=O ZINC000736852606 599588972 /nfs/dbraw/zinc/58/89/72/599588972.db2.gz RNHQJPIRSJMGOU-CQSZACIVSA-N -1 1 395.427 0.153 20 0 GCADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)[C@@H]1CCN(C)C1=O ZINC000736852606 599588975 /nfs/dbraw/zinc/58/89/75/599588975.db2.gz RNHQJPIRSJMGOU-CQSZACIVSA-N -1 1 395.427 0.153 20 0 GCADMM CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000735942044 599595565 /nfs/dbraw/zinc/59/55/65/599595565.db2.gz BGYFSGITSGSNDF-SNVBAGLBSA-N -1 1 389.445 0.270 20 0 GCADMM CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000735942044 599595566 /nfs/dbraw/zinc/59/55/66/599595566.db2.gz BGYFSGITSGSNDF-SNVBAGLBSA-N -1 1 389.445 0.270 20 0 GCADMM Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737442236 599597731 /nfs/dbraw/zinc/59/77/31/599597731.db2.gz OHBHTYFPMLXVKQ-UHFFFAOYSA-N -1 1 391.413 0.262 20 0 GCADMM Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737442236 599597733 /nfs/dbraw/zinc/59/77/33/599597733.db2.gz OHBHTYFPMLXVKQ-UHFFFAOYSA-N -1 1 391.413 0.262 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)CN2CCOCC2)cc1-c1nn[n-]n1 ZINC000737186108 599604591 /nfs/dbraw/zinc/60/45/91/599604591.db2.gz HAUCNWWOQJJLCY-SNVBAGLBSA-N -1 1 393.473 0.387 20 0 GCADMM CCN1C[C@H](COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1=O ZINC000736565566 599617756 /nfs/dbraw/zinc/61/77/56/599617756.db2.gz LTEQAMXEYWCWIG-GFCCVEGCSA-N -1 1 388.428 0.928 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)/C=C\C3CC3)CC2)o1 ZINC000822423316 599670146 /nfs/dbraw/zinc/67/01/46/599670146.db2.gz JFTNAPCBSOUXIK-PLNGDYQASA-N -1 1 387.400 0.321 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C(F)(F)F)O1 ZINC000820766878 599683753 /nfs/dbraw/zinc/68/37/53/599683753.db2.gz DPZZRBYCEOCEAQ-GMSGAONNSA-N -1 1 378.336 0.602 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C(F)(F)F)O1 ZINC000820766878 599683754 /nfs/dbraw/zinc/68/37/54/599683754.db2.gz DPZZRBYCEOCEAQ-GMSGAONNSA-N -1 1 378.336 0.602 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C(F)(F)F)O1 ZINC000820766879 599683810 /nfs/dbraw/zinc/68/38/10/599683810.db2.gz DPZZRBYCEOCEAQ-OIBJUYFYSA-N -1 1 378.336 0.602 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C(F)(F)F)O1 ZINC000820766879 599683811 /nfs/dbraw/zinc/68/38/11/599683811.db2.gz DPZZRBYCEOCEAQ-OIBJUYFYSA-N -1 1 378.336 0.602 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](C(F)(F)F)O1 ZINC000820766880 599683957 /nfs/dbraw/zinc/68/39/57/599683957.db2.gz DPZZRBYCEOCEAQ-XCBNKYQSSA-N -1 1 378.336 0.602 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](C(F)(F)F)O1 ZINC000820766880 599683958 /nfs/dbraw/zinc/68/39/58/599683958.db2.gz DPZZRBYCEOCEAQ-XCBNKYQSSA-N -1 1 378.336 0.602 20 0 GCADMM CSc1ccc(F)cc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821983463 599686770 /nfs/dbraw/zinc/68/67/70/599686770.db2.gz HZGQZKVSPBPHQJ-UHFFFAOYSA-N -1 1 377.405 0.737 20 0 GCADMM CN(C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821575618 599689777 /nfs/dbraw/zinc/68/97/77/599689777.db2.gz JEJJTNIRAIELIZ-UHFFFAOYSA-N -1 1 387.425 0.545 20 0 GCADMM CN(C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821575618 599689778 /nfs/dbraw/zinc/68/97/78/599689778.db2.gz JEJJTNIRAIELIZ-UHFFFAOYSA-N -1 1 387.425 0.545 20 0 GCADMM CNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821632849 599694724 /nfs/dbraw/zinc/69/47/24/599694724.db2.gz LUSJGSGPJWGQBL-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM CNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821632849 599694725 /nfs/dbraw/zinc/69/47/25/599694725.db2.gz LUSJGSGPJWGQBL-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM COc1ccc(CN2CCCN(C(=O)COC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000738004743 599702736 /nfs/dbraw/zinc/70/27/36/599702736.db2.gz UNYULHUOPGJEOS-DLBZAZTESA-N -1 1 390.436 0.993 20 0 GCADMM COC(=O)c1cc(NC(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc(C(=O)[O-])c1 ZINC000737664277 599712167 /nfs/dbraw/zinc/71/21/67/599712167.db2.gz ASDRBDRLVFNQBE-QWRGUYRKSA-N -1 1 377.397 0.696 20 0 GCADMM COC(=O)c1cc(NC(=O)CN2C[C@H](C(N)=O)CC[C@@H]2C)cc(C(=O)[O-])c1 ZINC000737664280 599712343 /nfs/dbraw/zinc/71/23/43/599712343.db2.gz ASDRBDRLVFNQBE-WDEREUQCSA-N -1 1 377.397 0.696 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccn(CC(=O)[O-])n3)cc2)[nH]1 ZINC000737626894 599741312 /nfs/dbraw/zinc/74/13/12/599741312.db2.gz AYOSARQXURUYSA-UHFFFAOYSA-N -1 1 399.363 0.415 20 0 GCADMM COc1ccnc(N2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)c1 ZINC000738128366 599801314 /nfs/dbraw/zinc/80/13/14/599801314.db2.gz XEPSFCWHBDYPCW-UHFFFAOYSA-N -1 1 384.458 0.254 20 0 GCADMM CC(C)(O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC000736341192 599818265 /nfs/dbraw/zinc/81/82/65/599818265.db2.gz MVFGBZPYULMUGI-QGZVFWFLSA-N -1 1 375.469 0.413 20 0 GCADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC000737864016 599818797 /nfs/dbraw/zinc/81/87/97/599818797.db2.gz RDNNVMFPPIMBKX-OAHLLOKOSA-N -1 1 382.457 0.522 20 0 GCADMM O=C([O-])CNC(=O)c1ccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000739812371 599837727 /nfs/dbraw/zinc/83/77/27/599837727.db2.gz HUZQRRSCEZWWDO-JKSUJKDBSA-N -1 1 390.440 0.564 20 0 GCADMM CC(C)Oc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1-c1nn[nH]n1 ZINC000820161302 607402155 /nfs/dbraw/zinc/40/21/55/607402155.db2.gz UPMAZQRNTYRWFT-UHFFFAOYSA-N -1 1 385.384 0.533 20 0 GCADMM CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)CCC(=O)[O-])c1 ZINC000737089362 599871921 /nfs/dbraw/zinc/87/19/21/599871921.db2.gz TUBKLJJJOQROBU-UHFFFAOYSA-N -1 1 394.471 0.942 20 0 GCADMM CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000737514757 599877279 /nfs/dbraw/zinc/87/72/79/599877279.db2.gz ASKJOJMEWOAOJY-UHFFFAOYSA-N -1 1 390.484 0.785 20 0 GCADMM CCOC(=O)CNC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821330573 607403689 /nfs/dbraw/zinc/40/36/89/607403689.db2.gz NWWXZOFPOWWSLE-UHFFFAOYSA-N -1 1 392.441 0.460 20 0 GCADMM CCOC(=O)CNC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821330573 607403690 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GCADMM C[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CNC(=O)OC(C)(C)C ZINC000824422184 607559757 /nfs/dbraw/zinc/55/97/57/607559757.db2.gz YLNLTPSYNLERQT-VIFPVBQESA-N -1 1 379.425 0.883 20 0 GCADMM C[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CNC(=O)OC(C)(C)C ZINC000824422184 607559758 /nfs/dbraw/zinc/55/97/58/607559758.db2.gz YLNLTPSYNLERQT-VIFPVBQESA-N -1 1 379.425 0.883 20 0 GCADMM O=C(CN1CCc2c[nH]nc2C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826411546 607567759 /nfs/dbraw/zinc/56/77/59/607567759.db2.gz CNGOXHXAFFHXGK-UHFFFAOYSA-N -1 1 390.411 0.772 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NOCc1cccnc1 ZINC000825000527 607575538 /nfs/dbraw/zinc/57/55/38/607575538.db2.gz RRQLVXHDSDMTOG-GFCCVEGCSA-N -1 1 396.415 0.404 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NOCc1cccnc1 ZINC000825000527 607575540 /nfs/dbraw/zinc/57/55/40/607575540.db2.gz RRQLVXHDSDMTOG-GFCCVEGCSA-N -1 1 396.415 0.404 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)NCc1ccco1 ZINC000826412783 607580732 /nfs/dbraw/zinc/58/07/32/607580732.db2.gz CVCCJZGODLOBFV-UHFFFAOYSA-N -1 1 380.361 0.194 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)NCc1ccco1 ZINC000826412783 607580733 /nfs/dbraw/zinc/58/07/33/607580733.db2.gz CVCCJZGODLOBFV-UHFFFAOYSA-N -1 1 380.361 0.194 20 0 GCADMM O=S(=O)(NCCCOC[C@@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491176 607581110 /nfs/dbraw/zinc/58/11/10/607581110.db2.gz WYYQWYRXQKDRSC-NSHDSACASA-N -1 1 385.421 0.870 20 0 GCADMM O=S(=O)(NCCCOC[C@@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491176 607581112 /nfs/dbraw/zinc/58/11/12/607581112.db2.gz WYYQWYRXQKDRSC-NSHDSACASA-N -1 1 385.421 0.870 20 0 GCADMM C[C@@H]1CN(CCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824984396 607581810 /nfs/dbraw/zinc/58/18/10/607581810.db2.gz JKYMADVJIFHSNG-VXGBXAGGSA-N -1 1 398.464 0.783 20 0 GCADMM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826060917 607585224 /nfs/dbraw/zinc/58/52/24/607585224.db2.gz WQPVKLMZFVWKKI-LLVKDONJSA-N -1 1 384.849 0.809 20 0 GCADMM Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000826330573 607585835 /nfs/dbraw/zinc/58/58/35/607585835.db2.gz ZODSHCFMGMENOP-LBPRGKRZSA-N -1 1 389.416 0.940 20 0 GCADMM Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000826330572 607585901 /nfs/dbraw/zinc/58/59/01/607585901.db2.gz ZODSHCFMGMENOP-GFCCVEGCSA-N -1 1 389.416 0.940 20 0 GCADMM NC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826391519 607590714 /nfs/dbraw/zinc/59/07/14/607590714.db2.gz OPMOIAKTZOFBGI-UHFFFAOYSA-N -1 1 384.849 0.939 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)N1CCCCC1 ZINC000826408124 607592843 /nfs/dbraw/zinc/59/28/43/607592843.db2.gz QJILHVMPCRHSDA-UHFFFAOYSA-N -1 1 382.421 0.687 20 0 GCADMM CC(=O)N(C)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823967839 607597918 /nfs/dbraw/zinc/59/79/18/607597918.db2.gz QPANOVXNNLKMFQ-UHFFFAOYSA-N -1 1 382.421 0.637 20 0 GCADMM CC(=O)N(C)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823967839 607597920 /nfs/dbraw/zinc/59/79/20/607597920.db2.gz QPANOVXNNLKMFQ-UHFFFAOYSA-N -1 1 382.421 0.637 20 0 GCADMM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826388906 607599431 /nfs/dbraw/zinc/59/94/31/607599431.db2.gz LVWVODLRVOEXDX-LBPRGKRZSA-N -1 1 390.400 0.381 20 0 GCADMM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826388906 607599432 /nfs/dbraw/zinc/59/94/32/607599432.db2.gz LVWVODLRVOEXDX-LBPRGKRZSA-N -1 1 390.400 0.381 20 0 GCADMM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825296413 607601386 /nfs/dbraw/zinc/60/13/86/607601386.db2.gz HYHQWEMXNRRRKT-CQSZACIVSA-N -1 1 394.457 0.899 20 0 GCADMM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825296413 607601387 /nfs/dbraw/zinc/60/13/87/607601387.db2.gz HYHQWEMXNRRRKT-CQSZACIVSA-N -1 1 394.457 0.899 20 0 GCADMM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000826328900 607605154 /nfs/dbraw/zinc/60/51/54/607605154.db2.gz IVUNTVPWLCGLLT-SECBINFHSA-N -1 1 378.393 0.199 20 0 GCADMM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000826328900 607605156 /nfs/dbraw/zinc/60/51/56/607605156.db2.gz IVUNTVPWLCGLLT-SECBINFHSA-N -1 1 378.393 0.199 20 0 GCADMM NS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000826394217 607606777 /nfs/dbraw/zinc/60/67/77/607606777.db2.gz BKWATCRNDMHMMM-UHFFFAOYSA-N -1 1 394.800 0.920 20 0 GCADMM NS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000826394217 607606779 /nfs/dbraw/zinc/60/67/79/607606779.db2.gz BKWATCRNDMHMMM-UHFFFAOYSA-N -1 1 394.800 0.920 20 0 GCADMM CC(=O)N1CCC(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823974262 607609496 /nfs/dbraw/zinc/60/94/96/607609496.db2.gz OTUFUKAGVNKWGK-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM CC(=O)N1CCC(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823974262 607609497 /nfs/dbraw/zinc/60/94/97/607609497.db2.gz OTUFUKAGVNKWGK-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)N1CCOCC1 ZINC000824640208 607609884 /nfs/dbraw/zinc/60/98/84/607609884.db2.gz CWSLKGFCQRAENX-GHMZBOCLSA-N -1 1 384.437 0.393 20 0 GCADMM O=C1CCC(=O)N1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826480244 607610639 /nfs/dbraw/zinc/61/06/39/607610639.db2.gz VVXSOEKYSYFFFT-UHFFFAOYSA-N -1 1 398.832 0.338 20 0 GCADMM O=C1CCC(=O)N1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826480244 607610640 /nfs/dbraw/zinc/61/06/40/607610640.db2.gz VVXSOEKYSYFFFT-UHFFFAOYSA-N -1 1 398.832 0.338 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(N)=O ZINC000824198293 607610936 /nfs/dbraw/zinc/61/09/36/607610936.db2.gz AZVOFGORYDZEEP-JTQLQIEISA-N -1 1 392.363 0.674 20 0 GCADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(N)=O ZINC000824198297 607611238 /nfs/dbraw/zinc/61/12/38/607611238.db2.gz AZVOFGORYDZEEP-SNVBAGLBSA-N -1 1 392.363 0.674 20 0 GCADMM CN(CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC(F)(F)F ZINC000825941692 607613352 /nfs/dbraw/zinc/61/33/52/607613352.db2.gz NGKNQRCEUOPCSN-UHFFFAOYSA-N -1 1 382.343 0.778 20 0 GCADMM NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826391499 607614162 /nfs/dbraw/zinc/61/41/62/607614162.db2.gz NZUODLJOHLDUEE-UHFFFAOYSA-N -1 1 390.400 0.682 20 0 GCADMM CN(C)C(=O)C1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCC1 ZINC000825833910 607614617 /nfs/dbraw/zinc/61/46/17/607614617.db2.gz NTBBLXOKECZILX-UHFFFAOYSA-N -1 1 396.448 0.933 20 0 GCADMM CN(C)C(=O)C1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCC1 ZINC000825833910 607614619 /nfs/dbraw/zinc/61/46/19/607614619.db2.gz NTBBLXOKECZILX-UHFFFAOYSA-N -1 1 396.448 0.933 20 0 GCADMM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000825750848 607616552 /nfs/dbraw/zinc/61/65/52/607616552.db2.gz YTFONBGAVQGHEK-SECBINFHSA-N -1 1 392.420 0.453 20 0 GCADMM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000825750848 607616553 /nfs/dbraw/zinc/61/65/53/607616553.db2.gz YTFONBGAVQGHEK-SECBINFHSA-N -1 1 392.420 0.453 20 0 GCADMM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000825750331 607616737 /nfs/dbraw/zinc/61/67/37/607616737.db2.gz QJHWYAVHVBMTBJ-JTQLQIEISA-N -1 1 392.420 0.453 20 0 GCADMM CCN1CCO[C@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000825466264 607616963 /nfs/dbraw/zinc/61/69/63/607616963.db2.gz YISWISLCVGVFFB-SNVBAGLBSA-N -1 1 386.865 0.519 20 0 GCADMM CCN1CCO[C@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000825466264 607616965 /nfs/dbraw/zinc/61/69/65/607616965.db2.gz YISWISLCVGVFFB-SNVBAGLBSA-N -1 1 386.865 0.519 20 0 GCADMM CN1CCN(c2ncccc2CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737530879 603255463 /nfs/dbraw/zinc/25/54/63/603255463.db2.gz YJNWQRMGELECGO-HNNXBMFYSA-N -1 1 376.461 0.775 20 0 GCADMM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824859190 607619798 /nfs/dbraw/zinc/61/97/98/607619798.db2.gz NUUXQEHHMVJMCR-RKDXNWHRSA-N -1 1 389.434 0.202 20 0 GCADMM CN1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1=O ZINC000826029821 607621580 /nfs/dbraw/zinc/62/15/80/607621580.db2.gz XPAXVTPDSAPFLT-VIFPVBQESA-N -1 1 390.347 0.395 20 0 GCADMM O=S(=O)(N[C@H](CO)C1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826487099 607638709 /nfs/dbraw/zinc/63/87/09/607638709.db2.gz CVOBWNSYTYQYPX-SNVBAGLBSA-N -1 1 377.348 0.935 20 0 GCADMM O=S(=O)(NC[C@@H](O)C1CCOCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489343 607640244 /nfs/dbraw/zinc/64/02/44/607640244.db2.gz MVTYDGPNOGRJON-LLVKDONJSA-N -1 1 387.849 0.586 20 0 GCADMM O=S(=O)(NC[C@@H](O)C1CCOCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489343 607640245 /nfs/dbraw/zinc/64/02/45/607640245.db2.gz MVTYDGPNOGRJON-LLVKDONJSA-N -1 1 387.849 0.586 20 0 GCADMM O=S(=O)(NCC1(O)Cc2ccccc2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489964 607640305 /nfs/dbraw/zinc/64/03/05/607640305.db2.gz FVUBJKSOKBVYEV-UHFFFAOYSA-N -1 1 389.412 0.814 20 0 GCADMM CSC[C@H](CCO)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826228524 607642528 /nfs/dbraw/zinc/64/25/28/607642528.db2.gz RSHSLTPTBBAYIY-QMMMGPOBSA-N -1 1 377.879 0.912 20 0 GCADMM CSC[C@H](CCO)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826228524 607642531 /nfs/dbraw/zinc/64/25/31/607642531.db2.gz RSHSLTPTBBAYIY-QMMMGPOBSA-N -1 1 377.879 0.912 20 0 GCADMM COCCCNC(=O)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826156881 607642706 /nfs/dbraw/zinc/64/27/06/607642706.db2.gz XVWRQLNIANVAMZ-UHFFFAOYSA-N -1 1 390.448 0.007 20 0 GCADMM O=S(=O)(NC[C@@H](O)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489265 607643613 /nfs/dbraw/zinc/64/36/13/607643613.db2.gz LHFNCOSJFDFPQF-CYBMUJFWSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(NC[C@@H](O)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489265 607643614 /nfs/dbraw/zinc/64/36/14/607643614.db2.gz LHFNCOSJFDFPQF-CYBMUJFWSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826495490 607653537 /nfs/dbraw/zinc/65/35/37/607653537.db2.gz QYVCDSQLXBUAEZ-LLVKDONJSA-N -1 1 381.311 0.694 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]1CN1CCOCC1 ZINC000826496237 607651682 /nfs/dbraw/zinc/65/16/82/607651682.db2.gz PGOICYWLCRSPFZ-LBPRGKRZSA-N -1 1 396.448 0.491 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]1CN1CCOCC1 ZINC000826496237 607651683 /nfs/dbraw/zinc/65/16/83/607651683.db2.gz PGOICYWLCRSPFZ-LBPRGKRZSA-N -1 1 396.448 0.491 20 0 GCADMM CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCN1C[C@H](C)O ZINC000825209852 607652476 /nfs/dbraw/zinc/65/24/76/607652476.db2.gz DAEDKEBKVLDMHO-RYUDHWBXSA-N -1 1 398.464 0.472 20 0 GCADMM CCc1nncn1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825771275 607654938 /nfs/dbraw/zinc/65/49/38/607654938.db2.gz JDDLKSMVMHASEZ-UHFFFAOYSA-N -1 1 382.837 0.653 20 0 GCADMM CCc1nncn1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825771275 607654941 /nfs/dbraw/zinc/65/49/41/607654941.db2.gz JDDLKSMVMHASEZ-UHFFFAOYSA-N -1 1 382.837 0.653 20 0 GCADMM NC(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000826393538 607661041 /nfs/dbraw/zinc/66/10/41/607661041.db2.gz WXLNVBDUIASCAX-UHFFFAOYSA-N -1 1 382.789 0.691 20 0 GCADMM NC(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000826393538 607661042 /nfs/dbraw/zinc/66/10/42/607661042.db2.gz WXLNVBDUIASCAX-UHFFFAOYSA-N -1 1 382.789 0.691 20 0 GCADMM NC(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826392139 607661615 /nfs/dbraw/zinc/66/16/15/607661615.db2.gz OKTCZKTYRHZPGS-UHFFFAOYSA-N -1 1 385.837 0.342 20 0 GCADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)S(C)(=O)=O ZINC000824158146 607661700 /nfs/dbraw/zinc/66/17/00/607661700.db2.gz SJBPDRNUVLSXKA-UHFFFAOYSA-N -1 1 377.423 0.107 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)c1cccc(F)c1 ZINC000824641634 607662051 /nfs/dbraw/zinc/66/20/51/607662051.db2.gz XXMCBWNDXHSJAW-OTYXRUKQSA-N -1 1 378.389 0.801 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)c1cccc(F)c1 ZINC000824641634 607662053 /nfs/dbraw/zinc/66/20/53/607662053.db2.gz XXMCBWNDXHSJAW-OTYXRUKQSA-N -1 1 378.389 0.801 20 0 GCADMM O=C(NCCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCC1 ZINC000826436885 607662891 /nfs/dbraw/zinc/66/28/91/607662891.db2.gz NAGULCLCIOQYFY-UHFFFAOYSA-N -1 1 382.421 0.591 20 0 GCADMM O=C(NCCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCC1 ZINC000826436885 607662893 /nfs/dbraw/zinc/66/28/93/607662893.db2.gz NAGULCLCIOQYFY-UHFFFAOYSA-N -1 1 382.421 0.591 20 0 GCADMM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826390155 607663085 /nfs/dbraw/zinc/66/30/85/607663085.db2.gz RGKGRNQUVPIYQD-PSASIEDQSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826390155 607663087 /nfs/dbraw/zinc/66/30/87/607663087.db2.gz RGKGRNQUVPIYQD-PSASIEDQSA-N -1 1 384.849 0.843 20 0 GCADMM CS(=O)(=O)CC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826222240 607663107 /nfs/dbraw/zinc/66/31/07/607663107.db2.gz PDXRDXVWRUOFTI-UHFFFAOYSA-N -1 1 389.434 0.109 20 0 GCADMM CS(=O)(=O)CC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826222240 607663109 /nfs/dbraw/zinc/66/31/09/607663109.db2.gz PDXRDXVWRUOFTI-UHFFFAOYSA-N -1 1 389.434 0.109 20 0 GCADMM COC[C@@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC000826148768 607669634 /nfs/dbraw/zinc/66/96/34/607669634.db2.gz QJFQNOVNSNQZMB-CYBMUJFWSA-N -1 1 389.821 0.377 20 0 GCADMM COC[C@@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC000826148768 607669636 /nfs/dbraw/zinc/66/96/36/607669636.db2.gz QJFQNOVNSNQZMB-CYBMUJFWSA-N -1 1 389.821 0.377 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(OCCCO)CC1 ZINC000826495494 607670230 /nfs/dbraw/zinc/67/02/30/607670230.db2.gz RCAIZZHVGXZCAB-UHFFFAOYSA-N -1 1 385.421 0.558 20 0 GCADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1cc(-c2nn[nH]n2)ccc1C ZINC000825564782 607670657 /nfs/dbraw/zinc/67/06/57/607670657.db2.gz FLIKFCDIWMLRKQ-UHFFFAOYSA-N -1 1 378.370 0.843 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]2CCCC[C@@H]2N1 ZINC000826481135 607671464 /nfs/dbraw/zinc/67/14/64/607671464.db2.gz INUSSCIFFXGYEK-QWRGUYRKSA-N -1 1 380.405 0.438 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]2CCCC[C@@H]2N1 ZINC000826481135 607671466 /nfs/dbraw/zinc/67/14/66/607671466.db2.gz INUSSCIFFXGYEK-QWRGUYRKSA-N -1 1 380.405 0.438 20 0 GCADMM C[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[S@@](C)=O ZINC000824400868 607674872 /nfs/dbraw/zinc/67/48/72/607674872.db2.gz LWALJDYKNBYGBI-QSIZCVBASA-N -1 1 377.879 0.956 20 0 GCADMM C[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[S@@](C)=O ZINC000824400868 607674874 /nfs/dbraw/zinc/67/48/74/607674874.db2.gz LWALJDYKNBYGBI-QSIZCVBASA-N -1 1 377.879 0.956 20 0 GCADMM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825581913 607676651 /nfs/dbraw/zinc/67/66/51/607676651.db2.gz GBWKYORKTJCIKW-SNVBAGLBSA-N -1 1 387.393 0.204 20 0 GCADMM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825581913 607676653 /nfs/dbraw/zinc/67/66/53/607676653.db2.gz GBWKYORKTJCIKW-SNVBAGLBSA-N -1 1 387.393 0.204 20 0 GCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000827354343 604299276 /nfs/dbraw/zinc/29/92/76/604299276.db2.gz FMTTZPFLOQJNRH-KGLIPLIRSA-N -1 1 385.461 0.630 20 0 GCADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCN(CCC(=O)N(C)C)CC1 ZINC000833702751 604483568 /nfs/dbraw/zinc/48/35/68/604483568.db2.gz ZGISFENYWVYKCF-KRWDZBQOSA-N -1 1 377.441 0.695 20 0 GCADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c[nH]1 ZINC000833780450 604702796 /nfs/dbraw/zinc/70/27/96/604702796.db2.gz SROPOKLWWLHMBN-GOEBONIOSA-N -1 1 393.465 0.874 20 0 GCADMM C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCC(O)(C(=O)[O-])CC2)CC1 ZINC000833549024 604724547 /nfs/dbraw/zinc/72/45/47/604724547.db2.gz OMGSOLMRAGTSHL-INIZCTEOSA-N -1 1 375.469 0.803 20 0 GCADMM C[C@@H](CN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000828232146 604739834 /nfs/dbraw/zinc/73/98/34/604739834.db2.gz BJTCHKFUWBKOIG-LASWEOPPSA-N -1 1 380.445 0.703 20 0 GCADMM C[C@@H](CN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C1CC1)C(=O)[O-] ZINC000827450630 604739882 /nfs/dbraw/zinc/73/98/82/604739882.db2.gz YWUCFPJFIGWCKS-RYUDHWBXSA-N -1 1 395.481 0.797 20 0 GCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000826295030 607716337 /nfs/dbraw/zinc/71/63/37/607716337.db2.gz NQXCUXKTLFSREA-TXEJJXNPSA-N -1 1 383.412 0.521 20 0 GCADMM Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)n[nH]1 ZINC000832883078 604874002 /nfs/dbraw/zinc/87/40/02/604874002.db2.gz HBUYQTSAJHJCPM-SNVBAGLBSA-N -1 1 387.396 0.218 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000833767627 604897790 /nfs/dbraw/zinc/89/77/90/604897790.db2.gz LIFCXCIDPJRVQG-HOTGVXAUSA-N -1 1 376.388 0.734 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000833768088 604898741 /nfs/dbraw/zinc/89/87/41/604898741.db2.gz ZFBDLUKHOBQVNU-HNNXBMFYSA-N -1 1 387.371 0.839 20 0 GCADMM CCc1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)[O-])n[nH]1 ZINC000833675155 605004750 /nfs/dbraw/zinc/00/47/50/605004750.db2.gz YLUFILCVFOLLRT-QMMMGPOBSA-N -1 1 382.398 0.891 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000833632689 605028947 /nfs/dbraw/zinc/02/89/47/605028947.db2.gz XPPXIFICODSUAM-YJBOKZPZSA-N -1 1 395.525 0.960 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000833632688 605028966 /nfs/dbraw/zinc/02/89/66/605028966.db2.gz XPPXIFICODSUAM-QAPCUYQASA-N -1 1 395.525 0.960 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1nnc2n1CCCCC2 ZINC000833621935 605043855 /nfs/dbraw/zinc/04/38/55/605043855.db2.gz CCABJTDENAGTLQ-AWEZNQCLSA-N -1 1 378.477 0.737 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000833627141 605046567 /nfs/dbraw/zinc/04/65/67/605046567.db2.gz UQDGMPDWGJPFFU-CQSZACIVSA-N -1 1 397.497 0.922 20 0 GCADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833620808 605056109 /nfs/dbraw/zinc/05/61/09/605056109.db2.gz XYTQCZMPTOKMRP-IJEWVQPXSA-N -1 1 380.489 0.824 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000833622032 605057758 /nfs/dbraw/zinc/05/77/58/605057758.db2.gz DNUNPHMGSNNKBL-CYBMUJFWSA-N -1 1 375.491 0.392 20 0 GCADMM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])o1 ZINC000833431460 605074872 /nfs/dbraw/zinc/07/48/72/605074872.db2.gz ZVKWRPMBVFHQIA-JTQLQIEISA-N -1 1 384.414 0.505 20 0 GCADMM C[C@@H]1Cc2cc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])ccc2N1S(C)(=O)=O ZINC000833632831 605076791 /nfs/dbraw/zinc/07/67/91/605076791.db2.gz OXBKNJMNZCYYCR-YGRLFVJLSA-N -1 1 392.437 0.546 20 0 GCADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1nc(-c2nc[nH]n2)no1 ZINC000833472239 605078212 /nfs/dbraw/zinc/07/82/12/605078212.db2.gz WVJQKDHKQVVVQK-SECBINFHSA-N -1 1 382.358 0.822 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000833767360 605082238 /nfs/dbraw/zinc/08/22/38/605082238.db2.gz AOERXUBAXOMXJC-XPTSAGLGSA-N -1 1 378.335 0.853 20 0 GCADMM C[C@H](Oc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1)C(=O)[O-] ZINC000833542595 605094155 /nfs/dbraw/zinc/09/41/55/605094155.db2.gz UYRMWFRDIHAIEW-XKQJLSEDSA-N -1 1 398.481 0.126 20 0 GCADMM CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C2=O ZINC000833610159 605105145 /nfs/dbraw/zinc/10/51/45/605105145.db2.gz JIROWCYIARHOCA-BIWSTMPVSA-N -1 1 394.472 0.495 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000833627441 605135589 /nfs/dbraw/zinc/13/55/89/605135589.db2.gz XMFLIULCOCRXNE-ZDUSSCGKSA-N -1 1 398.485 0.067 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833523886 605203998 /nfs/dbraw/zinc/20/39/98/605203998.db2.gz ZULCAGIDXOXCGR-VXGBXAGGSA-N -1 1 389.499 0.422 20 0 GCADMM O=S(=O)(NC[C@@H](O)C1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489101 607742475 /nfs/dbraw/zinc/74/24/75/607742475.db2.gz HQLIPJVNQATFDC-SNVBAGLBSA-N -1 1 377.348 0.935 20 0 GCADMM C[C@H]1CN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCN1CCC(=O)[O-] ZINC000833620864 605253891 /nfs/dbraw/zinc/25/38/91/605253891.db2.gz YHPNLZNQSVHTLJ-FUHWJXTLSA-N -1 1 375.469 0.895 20 0 GCADMM C[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCN1CCC(=O)[O-] ZINC000833623859 605257139 /nfs/dbraw/zinc/25/71/39/605257139.db2.gz ROVLHAVGJVGZBS-CQSZACIVSA-N -1 1 395.481 0.848 20 0 GCADMM CC(C)[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)N1CCCS1(=O)=O ZINC000833466081 605274851 /nfs/dbraw/zinc/27/48/51/605274851.db2.gz RANUITUIKREXGR-UKRRQHHQSA-N -1 1 375.491 0.054 20 0 GCADMM CC(C)[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)N1CCCS1(=O)=O ZINC000833466079 605274877 /nfs/dbraw/zinc/27/48/77/605274877.db2.gz RANUITUIKREXGR-DZGCQCFKSA-N -1 1 375.491 0.054 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2F)CCN1CCC(=O)[O-] ZINC000833625396 605277761 /nfs/dbraw/zinc/27/77/61/605277761.db2.gz XVUIPDIOFWZCBO-GFCCVEGCSA-N -1 1 378.404 0.976 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1cc(=O)c(O)cn1C ZINC000826340524 607748266 /nfs/dbraw/zinc/74/82/66/607748266.db2.gz BDFKIDRBEHJRHU-UHFFFAOYSA-N -1 1 395.379 0.893 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1cc(=O)c(O)cn1C ZINC000826340524 607748267 /nfs/dbraw/zinc/74/82/67/607748267.db2.gz BDFKIDRBEHJRHU-UHFFFAOYSA-N -1 1 395.379 0.893 20 0 GCADMM C[C@@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1nnc[nH]1 ZINC000833520626 605507057 /nfs/dbraw/zinc/50/70/57/605507057.db2.gz GJOQCCNDGHPDKC-SNVBAGLBSA-N -1 1 381.414 0.365 20 0 GCADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000824192941 607763810 /nfs/dbraw/zinc/76/38/10/607763810.db2.gz PDLRULISDSVARD-QMMMGPOBSA-N -1 1 399.379 0.287 20 0 GCADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(-c2nc[nH]n2)no1 ZINC000824192941 607763811 /nfs/dbraw/zinc/76/38/11/607763811.db2.gz PDLRULISDSVARD-QMMMGPOBSA-N -1 1 399.379 0.287 20 0 GCADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825204478 607764079 /nfs/dbraw/zinc/76/40/79/607764079.db2.gz RGHNJWKTFIUOHQ-GWCFXTLKSA-N -1 1 387.448 0.759 20 0 GCADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825204478 607764080 /nfs/dbraw/zinc/76/40/80/607764080.db2.gz RGHNJWKTFIUOHQ-GWCFXTLKSA-N -1 1 387.448 0.759 20 0 GCADMM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nnn[n-]2)s1 ZINC000826433525 607768182 /nfs/dbraw/zinc/76/81/82/607768182.db2.gz JCFINXIEQZGCQC-QMMMGPOBSA-N -1 1 399.479 0.554 20 0 GCADMM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826433525 607768183 /nfs/dbraw/zinc/76/81/83/607768183.db2.gz JCFINXIEQZGCQC-QMMMGPOBSA-N -1 1 399.479 0.554 20 0 GCADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000833724409 605919719 /nfs/dbraw/zinc/91/97/19/605919719.db2.gz LVUPWEUVRCEDJJ-LBPRGKRZSA-N -1 1 379.413 0.559 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CSC[C@@H](C)CO)CC2)o1 ZINC000822423680 606047414 /nfs/dbraw/zinc/04/74/14/606047414.db2.gz MIDLIDSVBAODQP-JTQLQIEISA-N -1 1 381.462 0.173 20 0 GCADMM O=C(Nc1ccccc1Oc1ncccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](O)C1 ZINC000823373264 606121552 /nfs/dbraw/zinc/12/15/52/606121552.db2.gz VJLYMBAPRPVAHW-LLVKDONJSA-N -1 1 395.379 0.586 20 0 GCADMM O=S(=O)(CCCF)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823557001 606122266 /nfs/dbraw/zinc/12/22/66/606122266.db2.gz DTADOEXBUJPJHO-UHFFFAOYSA-N -1 1 385.425 0.544 20 0 GCADMM COCCCS(=O)(=O)NCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000821688546 606129766 /nfs/dbraw/zinc/12/97/66/606129766.db2.gz PBTXUKGUNNGSLC-UHFFFAOYSA-N -1 1 375.432 0.041 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820507985 606133829 /nfs/dbraw/zinc/13/38/29/606133829.db2.gz KWSCHNKKNRGJEB-MRVPVSSYSA-N -1 1 378.414 0.211 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820507985 606133831 /nfs/dbraw/zinc/13/38/31/606133831.db2.gz KWSCHNKKNRGJEB-MRVPVSSYSA-N -1 1 378.414 0.211 20 0 GCADMM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC000820861922 606135598 /nfs/dbraw/zinc/13/55/98/606135598.db2.gz OPQSXQONPMVNFQ-QPUJVOFHSA-N -1 1 381.414 0.789 20 0 GCADMM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC000820861922 606135599 /nfs/dbraw/zinc/13/55/99/606135599.db2.gz OPQSXQONPMVNFQ-QPUJVOFHSA-N -1 1 381.414 0.789 20 0 GCADMM CCO[C@@H](CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C1CCCC1 ZINC000821351156 606143738 /nfs/dbraw/zinc/14/37/38/606143738.db2.gz MFJSKUOZFJOOSR-LBPRGKRZSA-N -1 1 377.449 0.661 20 0 GCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000820380231 606162006 /nfs/dbraw/zinc/16/20/06/606162006.db2.gz NRVALUSOKMERPS-QMMMGPOBSA-N -1 1 391.417 0.130 20 0 GCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(S(N)(=O)=O)c1 ZINC000820380231 606162010 /nfs/dbraw/zinc/16/20/10/606162010.db2.gz NRVALUSOKMERPS-QMMMGPOBSA-N -1 1 391.417 0.130 20 0 GCADMM Cc1cccc(C)c1OC[C@@H](O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822294147 606163855 /nfs/dbraw/zinc/16/38/55/606163855.db2.gz SMTBXTMIVWFSKN-LBPRGKRZSA-N -1 1 386.416 0.778 20 0 GCADMM Cc1cccc(C)c1OC[C@@H](O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822294147 606163858 /nfs/dbraw/zinc/16/38/58/606163858.db2.gz SMTBXTMIVWFSKN-LBPRGKRZSA-N -1 1 386.416 0.778 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNC(=O)c2c(F)cccc2F)n1 ZINC000822614052 606165586 /nfs/dbraw/zinc/16/55/86/606165586.db2.gz JISTUGSOBLGFMM-UHFFFAOYSA-N -1 1 391.342 0.430 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNC(=O)c2c(F)cccc2F)n1 ZINC000822614052 606165587 /nfs/dbraw/zinc/16/55/87/606165587.db2.gz JISTUGSOBLGFMM-UHFFFAOYSA-N -1 1 391.342 0.430 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(=O)N1c1ccccc1 ZINC000820657086 606168071 /nfs/dbraw/zinc/16/80/71/606168071.db2.gz JEQWGNLCWDXYBU-MFKMUULPSA-N -1 1 381.400 0.916 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(=O)N1c1ccccc1 ZINC000820657086 606168073 /nfs/dbraw/zinc/16/80/73/606168073.db2.gz JEQWGNLCWDXYBU-MFKMUULPSA-N -1 1 381.400 0.916 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(=O)N1c1ccccc1 ZINC000820657085 606168162 /nfs/dbraw/zinc/16/81/62/606168162.db2.gz JEQWGNLCWDXYBU-GXFFZTMASA-N -1 1 381.400 0.916 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(=O)N1c1ccccc1 ZINC000820657085 606168164 /nfs/dbraw/zinc/16/81/64/606168164.db2.gz JEQWGNLCWDXYBU-GXFFZTMASA-N -1 1 381.400 0.916 20 0 GCADMM C[C@H]1CN(c2ccc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)cn2)CCO1 ZINC000820767969 606168312 /nfs/dbraw/zinc/16/83/12/606168312.db2.gz KYIOIQHYJDBTFM-NSHDSACASA-N -1 1 398.431 0.542 20 0 GCADMM C[C@H]1CN(c2ccc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)cn2)CCO1 ZINC000820767969 606168313 /nfs/dbraw/zinc/16/83/13/606168313.db2.gz KYIOIQHYJDBTFM-NSHDSACASA-N -1 1 398.431 0.542 20 0 GCADMM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821574694 606171084 /nfs/dbraw/zinc/17/10/84/606171084.db2.gz SMBSBWCOENYPKK-CYBMUJFWSA-N -1 1 383.416 0.421 20 0 GCADMM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821574694 606171086 /nfs/dbraw/zinc/17/10/86/606171086.db2.gz SMBSBWCOENYPKK-CYBMUJFWSA-N -1 1 383.416 0.421 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](O)COCC(C)C ZINC000822004438 606194521 /nfs/dbraw/zinc/19/45/21/606194521.db2.gz HDPUULVGFURSJC-CYBMUJFWSA-N -1 1 392.460 0.666 20 0 GCADMM CCOC(=O)CCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821326441 606195208 /nfs/dbraw/zinc/19/52/08/606195208.db2.gz XQKMVIQSJVGDEI-UHFFFAOYSA-N -1 1 376.417 0.976 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)[C@H](C)C3CC3)CC2)o1 ZINC000822423812 606227073 /nfs/dbraw/zinc/22/70/73/606227073.db2.gz PBGARUIMTBBGBK-SNVBAGLBSA-N -1 1 389.416 0.401 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000821970146 606286263 /nfs/dbraw/zinc/28/62/63/606286263.db2.gz IZDNRPRRHPJLTL-NXEZZACHSA-N -1 1 393.473 0.216 20 0 GCADMM O=C(CSCC(=O)N1CCOCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823055437 606297177 /nfs/dbraw/zinc/29/71/77/606297177.db2.gz PYLZNZDMGSHLQM-UHFFFAOYSA-N -1 1 378.414 0.103 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(OCCCc3ccccc3)C2)n(C)c1=O ZINC000822601035 606302425 /nfs/dbraw/zinc/30/24/25/606302425.db2.gz SKBQPSIUSLTVPE-UHFFFAOYSA-N -1 1 397.439 0.102 20 0 GCADMM CC[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccccc1C ZINC000820908096 606427379 /nfs/dbraw/zinc/42/73/79/606427379.db2.gz JGHUGNNGSAUUEP-GFCCVEGCSA-N -1 1 385.428 0.842 20 0 GCADMM O=C1CC2(CN1)CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000823525881 606432831 /nfs/dbraw/zinc/43/28/31/606432831.db2.gz VDHPBBJDCLIBBU-UHFFFAOYSA-N -1 1 396.860 0.811 20 0 GCADMM CS(=O)(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821936444 606453720 /nfs/dbraw/zinc/45/37/20/606453720.db2.gz AEXIUCCDQYUCSS-SSDOTTSWSA-N -1 1 377.883 0.742 20 0 GCADMM CS(=O)(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821936444 606453722 /nfs/dbraw/zinc/45/37/22/606453722.db2.gz AEXIUCCDQYUCSS-SSDOTTSWSA-N -1 1 377.883 0.742 20 0 GCADMM C[C@@]1([C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)NC(=O)NC1=O ZINC000820612754 606469941 /nfs/dbraw/zinc/46/99/41/606469941.db2.gz IHFBQEAGEBMCJT-GLEZIHRCSA-N -1 1 376.808 0.730 20 0 GCADMM C[C@@]1([C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)NC(=O)NC1=O ZINC000820612754 606469943 /nfs/dbraw/zinc/46/99/43/606469943.db2.gz IHFBQEAGEBMCJT-GLEZIHRCSA-N -1 1 376.808 0.730 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@H]2Cc2ccccc2)n(C)c1=O ZINC000822601202 606476085 /nfs/dbraw/zinc/47/60/85/606476085.db2.gz VMQMGKHYCMCTGO-AWEZNQCLSA-N -1 1 381.440 0.866 20 0 GCADMM Cc1ccccc1[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H](C)CO1 ZINC000822351617 606476114 /nfs/dbraw/zinc/47/61/14/606476114.db2.gz PLLVKAJSJVTAPR-OCCSQVGLSA-N -1 1 397.439 0.539 20 0 GCADMM CN(Cc1ccc([S@](C)=O)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821610983 606484545 /nfs/dbraw/zinc/48/45/45/606484545.db2.gz MPPVLFAFVCVKOX-VWLOTQADSA-N -1 1 392.466 0.820 20 0 GCADMM CN(Cc1ccc([S@](C)=O)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821610983 606484546 /nfs/dbraw/zinc/48/45/46/606484546.db2.gz MPPVLFAFVCVKOX-VWLOTQADSA-N -1 1 392.466 0.820 20 0 GCADMM COC(=O)[C@@]1(F)CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821653555 606505941 /nfs/dbraw/zinc/50/59/41/606505941.db2.gz DSLCPKLKMOERJG-JDNHERCYSA-N -1 1 380.380 0.991 20 0 GCADMM O=C(CCn1nnc2ccccc2c1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822987224 606519322 /nfs/dbraw/zinc/51/93/22/606519322.db2.gz UBXHGDLOEXTZGM-UHFFFAOYSA-N -1 1 378.352 0.500 20 0 GCADMM O=C(CCn1nnc2ccccc2c1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822987224 606519325 /nfs/dbraw/zinc/51/93/25/606519325.db2.gz UBXHGDLOEXTZGM-UHFFFAOYSA-N -1 1 378.352 0.500 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000823483149 606522471 /nfs/dbraw/zinc/52/24/71/606522471.db2.gz DFECFRSCWSQEBP-NSHDSACASA-N -1 1 376.442 0.639 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000823483149 606522473 /nfs/dbraw/zinc/52/24/73/606522473.db2.gz DFECFRSCWSQEBP-NSHDSACASA-N -1 1 376.442 0.639 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000823005326 606523518 /nfs/dbraw/zinc/52/35/18/606523518.db2.gz MDVVZTDCHWRAMG-UHFFFAOYSA-N -1 1 384.381 0.879 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000823005326 606523520 /nfs/dbraw/zinc/52/35/20/606523520.db2.gz MDVVZTDCHWRAMG-UHFFFAOYSA-N -1 1 384.381 0.879 20 0 GCADMM CNS(=O)(=O)c1ccc(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000821637803 606532165 /nfs/dbraw/zinc/53/21/65/606532165.db2.gz USCQJWLQGGGPSM-UHFFFAOYSA-N -1 1 376.402 0.069 20 0 GCADMM CNS(=O)(=O)c1ccc(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000821637803 606532167 /nfs/dbraw/zinc/53/21/67/606532167.db2.gz USCQJWLQGGGPSM-UHFFFAOYSA-N -1 1 376.402 0.069 20 0 GCADMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821690907 606535212 /nfs/dbraw/zinc/53/52/12/606535212.db2.gz AYPYNDOXAWCEDG-GHMZBOCLSA-N -1 1 378.458 0.932 20 0 GCADMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821690907 606535214 /nfs/dbraw/zinc/53/52/14/606535214.db2.gz AYPYNDOXAWCEDG-GHMZBOCLSA-N -1 1 378.458 0.932 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000823488142 606546861 /nfs/dbraw/zinc/54/68/61/606546861.db2.gz JVGHLNNFURXYQI-UHFFFAOYSA-N -1 1 385.409 0.627 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000823488142 606546863 /nfs/dbraw/zinc/54/68/63/606546863.db2.gz JVGHLNNFURXYQI-UHFFFAOYSA-N -1 1 385.409 0.627 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000822535449 606548955 /nfs/dbraw/zinc/54/89/55/606548955.db2.gz RYJMOSUKNWQIKD-UHFFFAOYSA-N -1 1 399.411 0.488 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000822535449 606548957 /nfs/dbraw/zinc/54/89/57/606548957.db2.gz RYJMOSUKNWQIKD-UHFFFAOYSA-N -1 1 399.411 0.488 20 0 GCADMM CCN(C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)S(C)(=O)=O ZINC000821164517 606556726 /nfs/dbraw/zinc/55/67/26/606556726.db2.gz FWUSSBLORRSGBG-UHFFFAOYSA-N -1 1 384.487 0.814 20 0 GCADMM CCN(C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)S(C)(=O)=O ZINC000821164517 606556727 /nfs/dbraw/zinc/55/67/27/606556727.db2.gz FWUSSBLORRSGBG-UHFFFAOYSA-N -1 1 384.487 0.814 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN(C)[C@@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000822486479 606617711 /nfs/dbraw/zinc/61/77/11/606617711.db2.gz LCIGBFXKVMGJRY-CQSZACIVSA-N -1 1 387.469 0.980 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC000819858137 606626093 /nfs/dbraw/zinc/62/60/93/606626093.db2.gz ZQJVVJQZXDVTMU-LLVKDONJSA-N -1 1 397.443 0.918 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cc(F)c(C)cc2F)c1=O ZINC000821565280 606627248 /nfs/dbraw/zinc/62/72/48/606627248.db2.gz LYQFEPIGVVVXMG-UHFFFAOYSA-N -1 1 376.323 0.680 20 0 GCADMM CCS(=O)(=O)N1CCC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000821440737 606647447 /nfs/dbraw/zinc/64/74/47/606647447.db2.gz AYTTYVWCMWIKRQ-UHFFFAOYSA-N -1 1 380.430 0.367 20 0 GCADMM CCS(=O)(=O)N1CCC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000821440737 606647448 /nfs/dbraw/zinc/64/74/48/606647448.db2.gz AYTTYVWCMWIKRQ-UHFFFAOYSA-N -1 1 380.430 0.367 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820450221 606649498 /nfs/dbraw/zinc/64/94/98/606649498.db2.gz IBCPFWNOEOYMDP-VIFPVBQESA-N -1 1 394.438 0.733 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820450221 606649499 /nfs/dbraw/zinc/64/94/99/606649499.db2.gz IBCPFWNOEOYMDP-VIFPVBQESA-N -1 1 394.438 0.733 20 0 GCADMM COc1cc(C[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1 ZINC000821713421 606658367 /nfs/dbraw/zinc/65/83/67/606658367.db2.gz WLTHKJDPYTYPTR-ZDUSSCGKSA-N -1 1 398.423 0.860 20 0 GCADMM COc1cc(C[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1 ZINC000821713421 606658368 /nfs/dbraw/zinc/65/83/68/606658368.db2.gz WLTHKJDPYTYPTR-ZDUSSCGKSA-N -1 1 398.423 0.860 20 0 GCADMM CC[C@H](CCO)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820903844 606718296 /nfs/dbraw/zinc/71/82/96/606718296.db2.gz YQMJRMFIHXQEBA-CYBMUJFWSA-N -1 1 386.460 0.984 20 0 GCADMM CC[C@H](CCO)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820903844 606718298 /nfs/dbraw/zinc/71/82/98/606718298.db2.gz YQMJRMFIHXQEBA-CYBMUJFWSA-N -1 1 386.460 0.984 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cnn(-c3ccccc3F)c2)n(C)c1=O ZINC000822600421 606734001 /nfs/dbraw/zinc/73/40/01/606734001.db2.gz NYFMJONJWPNPLL-UHFFFAOYSA-N -1 1 383.347 0.333 20 0 GCADMM CN1CCO[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)C[C@@H]21 ZINC000821628971 606739522 /nfs/dbraw/zinc/73/95/22/606739522.db2.gz VQPFKOKHHZATSN-QWRGUYRKSA-N -1 1 384.849 0.224 20 0 GCADMM CN1CCO[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)C[C@@H]21 ZINC000821628971 606739523 /nfs/dbraw/zinc/73/95/23/606739523.db2.gz VQPFKOKHHZATSN-QWRGUYRKSA-N -1 1 384.849 0.224 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000822535255 606752591 /nfs/dbraw/zinc/75/25/91/606752591.db2.gz LFTLQCZFEUWMCS-OLZOCXBDSA-N -1 1 383.412 0.714 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000822535255 606752593 /nfs/dbraw/zinc/75/25/93/606752593.db2.gz LFTLQCZFEUWMCS-OLZOCXBDSA-N -1 1 383.412 0.714 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCC(S(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000822542595 606754263 /nfs/dbraw/zinc/75/42/63/606754263.db2.gz ZZRGGCXZWKONQG-JTQLQIEISA-N -1 1 396.473 0.913 20 0 GCADMM CCC1(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)COC1 ZINC000820943866 606754903 /nfs/dbraw/zinc/75/49/03/606754903.db2.gz CSIGTBMIGGUDMW-UHFFFAOYSA-N -1 1 397.395 0.961 20 0 GCADMM CCC1(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)COC1 ZINC000820943866 606754905 /nfs/dbraw/zinc/75/49/05/606754905.db2.gz CSIGTBMIGGUDMW-UHFFFAOYSA-N -1 1 397.395 0.961 20 0 GCADMM CCOC(=O)C[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821325513 606758285 /nfs/dbraw/zinc/75/82/85/606758285.db2.gz GKHAGBDXTGZDBY-SECBINFHSA-N -1 1 376.417 0.975 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCC(F)(F)F ZINC000820789033 606764491 /nfs/dbraw/zinc/76/44/91/606764491.db2.gz UFCHMSVUQSZUQF-MRVPVSSYSA-N -1 1 387.395 0.604 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCC(F)(F)F ZINC000820789033 606764493 /nfs/dbraw/zinc/76/44/93/606764493.db2.gz UFCHMSVUQSZUQF-MRVPVSSYSA-N -1 1 387.395 0.604 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC1CCOCC1 ZINC000820788353 606764887 /nfs/dbraw/zinc/76/48/87/606764887.db2.gz DTYUFTWUZYHJAP-LLVKDONJSA-N -1 1 389.489 0.221 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC1CCOCC1 ZINC000820788353 606764889 /nfs/dbraw/zinc/76/48/89/606764889.db2.gz DTYUFTWUZYHJAP-LLVKDONJSA-N -1 1 389.489 0.221 20 0 GCADMM CC(=O)c1c[nH]c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000819834062 606767329 /nfs/dbraw/zinc/76/73/29/606767329.db2.gz LJKIGZSFLMXPRD-JTQLQIEISA-N -1 1 381.400 0.538 20 0 GCADMM CC(=O)c1c[nH]c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000819834062 606767331 /nfs/dbraw/zinc/76/73/31/606767331.db2.gz LJKIGZSFLMXPRD-JTQLQIEISA-N -1 1 381.400 0.538 20 0 GCADMM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820705680 606777391 /nfs/dbraw/zinc/77/73/91/606777391.db2.gz WGWHGMKRMMPSTE-KFWWJZLASA-N -1 1 399.503 0.862 20 0 GCADMM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820705680 606777393 /nfs/dbraw/zinc/77/73/93/606777393.db2.gz WGWHGMKRMMPSTE-KFWWJZLASA-N -1 1 399.503 0.862 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)c1ccccc1 ZINC000820788321 606777875 /nfs/dbraw/zinc/77/78/75/606777875.db2.gz DJHFESFAAVCDGI-AWEZNQCLSA-N -1 1 393.455 0.830 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)c1ccccc1 ZINC000820788321 606777877 /nfs/dbraw/zinc/77/78/77/606777877.db2.gz DJHFESFAAVCDGI-AWEZNQCLSA-N -1 1 393.455 0.830 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1cccs1 ZINC000820789030 606778061 /nfs/dbraw/zinc/77/80/61/606778061.db2.gz UBWHIBHLUQTAAR-LBPRGKRZSA-N -1 1 399.484 0.545 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1cccs1 ZINC000820789030 606778062 /nfs/dbraw/zinc/77/80/62/606778062.db2.gz UBWHIBHLUQTAAR-LBPRGKRZSA-N -1 1 399.484 0.545 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)OCc1ccccc1 ZINC000820788901 606779781 /nfs/dbraw/zinc/77/97/81/606779781.db2.gz QZDJRUYMLIOGMP-AWEZNQCLSA-N -1 1 394.439 0.911 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)OCc1ccccc1 ZINC000820788901 606779782 /nfs/dbraw/zinc/77/97/82/606779782.db2.gz QZDJRUYMLIOGMP-AWEZNQCLSA-N -1 1 394.439 0.911 20 0 GCADMM O=S(=O)([N-]c1cc(C2CCOCC2)n[nH]1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823583724 606780088 /nfs/dbraw/zinc/78/00/88/606780088.db2.gz ZHHNYKUOVIKSFJ-UHFFFAOYSA-N -1 1 376.402 0.680 20 0 GCADMM CCCN(CCC)C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821099787 606781196 /nfs/dbraw/zinc/78/11/96/606781196.db2.gz NXNLXTNILFFUJH-AWEZNQCLSA-N -1 1 387.492 0.816 20 0 GCADMM CCCN(CCC)C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821099787 606781197 /nfs/dbraw/zinc/78/11/97/606781197.db2.gz NXNLXTNILFFUJH-AWEZNQCLSA-N -1 1 387.492 0.816 20 0 GCADMM CCOc1nnc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000821442417 606781483 /nfs/dbraw/zinc/78/14/83/606781483.db2.gz RWQZYNSDWXLCQX-JTQLQIEISA-N -1 1 388.461 0.618 20 0 GCADMM CCOc1nnc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000821442417 606781485 /nfs/dbraw/zinc/78/14/85/606781485.db2.gz RWQZYNSDWXLCQX-JTQLQIEISA-N -1 1 388.461 0.618 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCC1CCCCC1 ZINC000820788386 606782144 /nfs/dbraw/zinc/78/21/44/606782144.db2.gz FXYIKUAXBUPLBF-CQSZACIVSA-N -1 1 399.503 0.864 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCC1CCCCC1 ZINC000820788386 606782147 /nfs/dbraw/zinc/78/21/47/606782147.db2.gz FXYIKUAXBUPLBF-CQSZACIVSA-N -1 1 399.503 0.864 20 0 GCADMM COC(=O)c1occc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821671140 606783044 /nfs/dbraw/zinc/78/30/44/606783044.db2.gz JSSFIAHSWRBGTE-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM COC(=O)c1occc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821671140 606783046 /nfs/dbraw/zinc/78/30/46/606783046.db2.gz JSSFIAHSWRBGTE-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM COCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000821696013 606784677 /nfs/dbraw/zinc/78/46/77/606784677.db2.gz RMYYEEZQCZQDAX-NSHDSACASA-N -1 1 387.473 0.970 20 0 GCADMM COCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000821696013 606784678 /nfs/dbraw/zinc/78/46/78/606784678.db2.gz RMYYEEZQCZQDAX-NSHDSACASA-N -1 1 387.473 0.970 20 0 GCADMM CCOCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821378458 606787460 /nfs/dbraw/zinc/78/74/60/606787460.db2.gz OPNAKWQXPRMHSG-GFCCVEGCSA-N -1 1 375.437 0.303 20 0 GCADMM CCOCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821378458 606787461 /nfs/dbraw/zinc/78/74/61/606787461.db2.gz OPNAKWQXPRMHSG-GFCCVEGCSA-N -1 1 375.437 0.303 20 0 GCADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000822237264 606787765 /nfs/dbraw/zinc/78/77/65/606787765.db2.gz MWWLGGBUPQHOPX-ZDUSSCGKSA-N -1 1 394.443 0.780 20 0 GCADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000822237264 606787767 /nfs/dbraw/zinc/78/77/67/606787767.db2.gz MWWLGGBUPQHOPX-ZDUSSCGKSA-N -1 1 394.443 0.780 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1nccs1 ZINC000820788384 606788197 /nfs/dbraw/zinc/78/81/97/606788197.db2.gz FXLJRJMKRHVXKQ-SNVBAGLBSA-N -1 1 386.445 0.534 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1nccs1 ZINC000820788384 606788199 /nfs/dbraw/zinc/78/81/99/606788199.db2.gz FXLJRJMKRHVXKQ-SNVBAGLBSA-N -1 1 386.445 0.534 20 0 GCADMM COC[C@@H](C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821682011 606791023 /nfs/dbraw/zinc/79/10/23/606791023.db2.gz XYOLCCALCAPNJU-NWDGAFQWSA-N -1 1 375.437 0.159 20 0 GCADMM COC[C@@H](C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821682011 606791025 /nfs/dbraw/zinc/79/10/25/606791025.db2.gz XYOLCCALCAPNJU-NWDGAFQWSA-N -1 1 375.437 0.159 20 0 GCADMM CC[C@H](COC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820909116 606792096 /nfs/dbraw/zinc/79/20/96/606792096.db2.gz UABZCRJFKRCVCL-VXGBXAGGSA-N -1 1 375.437 0.302 20 0 GCADMM CC[C@H](COC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820909116 606792097 /nfs/dbraw/zinc/79/20/97/606792097.db2.gz UABZCRJFKRCVCL-VXGBXAGGSA-N -1 1 375.437 0.302 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC(F)(F)F ZINC000820788407 606794102 /nfs/dbraw/zinc/79/41/02/606794102.db2.gz GKWVRZGGENNYKG-SECBINFHSA-N -1 1 385.354 0.829 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC(F)(F)F ZINC000820788407 606794104 /nfs/dbraw/zinc/79/41/04/606794104.db2.gz GKWVRZGGENNYKG-SECBINFHSA-N -1 1 385.354 0.829 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCSC1 ZINC000820788854 606794169 /nfs/dbraw/zinc/79/41/69/606794169.db2.gz PJXSWPLWLZWPDP-WDEREUQCSA-N -1 1 375.462 0.382 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCSC1 ZINC000820788854 606794171 /nfs/dbraw/zinc/79/41/71/606794171.db2.gz PJXSWPLWLZWPDP-WDEREUQCSA-N -1 1 375.462 0.382 20 0 GCADMM CCC(=O)N1CC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000820837016 606804642 /nfs/dbraw/zinc/80/46/42/606804642.db2.gz GHCYPUKXKRKHRI-LBPRGKRZSA-N -1 1 387.444 0.644 20 0 GCADMM COCc1nc(C)cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000821695773 606808953 /nfs/dbraw/zinc/80/89/53/606808953.db2.gz IFBUBPNIRZUEAB-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM COCc1nc(C)cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000821695773 606808955 /nfs/dbraw/zinc/80/89/55/606808955.db2.gz IFBUBPNIRZUEAB-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM CCc1n[nH]c(=O)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1CC ZINC000821505834 606814168 /nfs/dbraw/zinc/81/41/68/606814168.db2.gz UFSPDRMZTLTTSB-UHFFFAOYSA-N -1 1 390.429 0.361 20 0 GCADMM CCc1n[nH]c(=O)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1CC ZINC000821505834 606814170 /nfs/dbraw/zinc/81/41/70/606814170.db2.gz UFSPDRMZTLTTSB-UHFFFAOYSA-N -1 1 390.429 0.361 20 0 GCADMM COc1ccc(C[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1O ZINC000821790005 606817182 /nfs/dbraw/zinc/81/71/82/606817182.db2.gz DQOFJMXWQPXVTJ-LBPRGKRZSA-N -1 1 384.396 0.557 20 0 GCADMM COc1ccc(C[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1O ZINC000821790005 606817184 /nfs/dbraw/zinc/81/71/84/606817184.db2.gz DQOFJMXWQPXVTJ-LBPRGKRZSA-N -1 1 384.396 0.557 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000820788305 606820053 /nfs/dbraw/zinc/82/00/53/606820053.db2.gz CRUBDJXYNNMNNY-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000820788305 606820054 /nfs/dbraw/zinc/82/00/54/606820054.db2.gz CRUBDJXYNNMNNY-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn2cccnc12 ZINC000820788626 606820126 /nfs/dbraw/zinc/82/01/26/606820126.db2.gz KWPOWHVBDUCHCK-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn2cccnc12 ZINC000820788626 606820128 /nfs/dbraw/zinc/82/01/28/606820128.db2.gz KWPOWHVBDUCHCK-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COCC(F)(F)F ZINC000820776942 606820282 /nfs/dbraw/zinc/82/02/82/606820282.db2.gz NXMGRTMZQDCCQO-SECBINFHSA-N -1 1 386.338 0.273 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COCC(F)(F)F ZINC000820776942 606820284 /nfs/dbraw/zinc/82/02/84/606820284.db2.gz NXMGRTMZQDCCQO-SECBINFHSA-N -1 1 386.338 0.273 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1ccsc1 ZINC000820775902 606821595 /nfs/dbraw/zinc/82/15/95/606821595.db2.gz JTIIGWNPGRXNNE-JTQLQIEISA-N -1 1 399.440 0.394 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1ccsc1 ZINC000820775902 606821596 /nfs/dbraw/zinc/82/15/96/606821596.db2.gz JTIIGWNPGRXNNE-JTQLQIEISA-N -1 1 399.440 0.394 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(N(C)C)c1 ZINC000820788628 606821734 /nfs/dbraw/zinc/82/17/34/606821734.db2.gz KXMNSFUBCFBQLF-LBPRGKRZSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(N(C)C)c1 ZINC000820788628 606821735 /nfs/dbraw/zinc/82/17/35/606821735.db2.gz KXMNSFUBCFBQLF-LBPRGKRZSA-N -1 1 394.443 0.469 20 0 GCADMM Cc1noc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822527716 606822716 /nfs/dbraw/zinc/82/27/16/606822716.db2.gz ARNIIHFBJDSSJG-JTQLQIEISA-N -1 1 384.404 0.018 20 0 GCADMM Cc1noc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822527716 606822718 /nfs/dbraw/zinc/82/27/18/606822718.db2.gz ARNIIHFBJDSSJG-JTQLQIEISA-N -1 1 384.404 0.018 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)n1C ZINC000822169161 606822752 /nfs/dbraw/zinc/82/27/52/606822752.db2.gz YTYVBMTYKZDFCY-GFCCVEGCSA-N -1 1 381.444 0.963 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)n1C ZINC000822169161 606822754 /nfs/dbraw/zinc/82/27/54/606822754.db2.gz YTYVBMTYKZDFCY-GFCCVEGCSA-N -1 1 381.444 0.963 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC000819858187 606824502 /nfs/dbraw/zinc/82/45/02/606824502.db2.gz ZXWYIPNMMBYKHD-NEPJUHHUSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC000819858187 606824504 /nfs/dbraw/zinc/82/45/04/606824504.db2.gz ZXWYIPNMMBYKHD-NEPJUHHUSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COCc1ccccc1 ZINC000820778394 606825131 /nfs/dbraw/zinc/82/51/31/606825131.db2.gz WFUJSLBJSXHZOT-AWEZNQCLSA-N -1 1 394.439 0.911 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COCc1ccccc1 ZINC000820778394 606825133 /nfs/dbraw/zinc/82/51/33/606825133.db2.gz WFUJSLBJSXHZOT-AWEZNQCLSA-N -1 1 394.439 0.911 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccnc1 ZINC000820774351 606828992 /nfs/dbraw/zinc/82/89/92/606828992.db2.gz BFXSIXUNMAMLSM-MUBLQREKSA-N -1 1 377.412 0.802 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccnc1 ZINC000820774351 606828994 /nfs/dbraw/zinc/82/89/94/606828994.db2.gz BFXSIXUNMAMLSM-MUBLQREKSA-N -1 1 377.412 0.802 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc2cncn21 ZINC000820788326 606829684 /nfs/dbraw/zinc/82/96/84/606829684.db2.gz DLJNUVBONWHVCI-SNVBAGLBSA-N -1 1 396.440 0.717 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc2cncn21 ZINC000820788326 606829685 /nfs/dbraw/zinc/82/96/85/606829685.db2.gz DLJNUVBONWHVCI-SNVBAGLBSA-N -1 1 396.440 0.717 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(C(N)=O)c1 ZINC000820788983 606829746 /nfs/dbraw/zinc/82/97/46/606829746.db2.gz SRIRVKPXYPRRII-LLVKDONJSA-N -1 1 393.411 0.107 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(C(N)=O)c1 ZINC000820788983 606829747 /nfs/dbraw/zinc/82/97/47/606829747.db2.gz SRIRVKPXYPRRII-LLVKDONJSA-N -1 1 393.411 0.107 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1(O)CCCCC1 ZINC000820777498 606830007 /nfs/dbraw/zinc/83/00/07/606830007.db2.gz RUVHHUWHEWHRBR-CYBMUJFWSA-N -1 1 386.460 0.779 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1(O)CCCCC1 ZINC000820777498 606830008 /nfs/dbraw/zinc/83/00/08/606830008.db2.gz RUVHHUWHEWHRBR-CYBMUJFWSA-N -1 1 386.460 0.779 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822414607 606830444 /nfs/dbraw/zinc/83/04/44/606830444.db2.gz NGBJPWMJYFTRGJ-LLVKDONJSA-N -1 1 396.459 0.667 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822414607 606830446 /nfs/dbraw/zinc/83/04/46/606830446.db2.gz NGBJPWMJYFTRGJ-LLVKDONJSA-N -1 1 396.459 0.667 20 0 GCADMM COc1ccnc(N(C)C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000821903667 606830522 /nfs/dbraw/zinc/83/05/22/606830522.db2.gz JVIYWKOPBQNNQC-UHFFFAOYSA-N -1 1 384.400 0.978 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CSCCS1 ZINC000820776916 606831406 /nfs/dbraw/zinc/83/14/06/606831406.db2.gz NSLQGGQFUZPQLX-MNOVXSKESA-N -1 1 392.514 0.542 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CSCCS1 ZINC000820776916 606831407 /nfs/dbraw/zinc/83/14/07/606831407.db2.gz NSLQGGQFUZPQLX-MNOVXSKESA-N -1 1 392.514 0.542 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(NC=O)cc1 ZINC000820788201 606831533 /nfs/dbraw/zinc/83/15/33/606831533.db2.gz AHTFNCPDNBIHAE-GFCCVEGCSA-N -1 1 393.411 0.576 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(NC=O)cc1 ZINC000820788201 606831535 /nfs/dbraw/zinc/83/15/35/606831535.db2.gz AHTFNCPDNBIHAE-GFCCVEGCSA-N -1 1 393.411 0.576 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000820788807 606831698 /nfs/dbraw/zinc/83/16/98/606831698.db2.gz OVWSXEPYDHDKGI-LLVKDONJSA-N -1 1 393.411 0.107 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000820788807 606831700 /nfs/dbraw/zinc/83/17/00/606831700.db2.gz OVWSXEPYDHDKGI-LLVKDONJSA-N -1 1 393.411 0.107 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000820788769 606831767 /nfs/dbraw/zinc/83/17/67/606831767.db2.gz NRLKCXUVVJIMJU-LLVKDONJSA-N -1 1 394.443 0.610 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000820788769 606831768 /nfs/dbraw/zinc/83/17/68/606831768.db2.gz NRLKCXUVVJIMJU-LLVKDONJSA-N -1 1 394.443 0.610 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(NC=O)cc1 ZINC000820788202 606831807 /nfs/dbraw/zinc/83/18/07/606831807.db2.gz AHTFNCPDNBIHAE-LBPRGKRZSA-N -1 1 393.411 0.576 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(NC=O)cc1 ZINC000820788202 606831808 /nfs/dbraw/zinc/83/18/08/606831808.db2.gz AHTFNCPDNBIHAE-LBPRGKRZSA-N -1 1 393.411 0.576 20 0 GCADMM CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821635041 606840925 /nfs/dbraw/zinc/84/09/25/606840925.db2.gz JFPCPPCDHYQZFB-UHFFFAOYSA-N -1 1 390.400 0.844 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(CC(F)(F)F)CC1 ZINC000823607717 606841364 /nfs/dbraw/zinc/84/13/64/606841364.db2.gz WLSXONFMOXJQHB-UHFFFAOYSA-N -1 1 394.354 0.874 20 0 GCADMM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000822207188 606842617 /nfs/dbraw/zinc/84/26/17/606842617.db2.gz NQXAOAKHBLVCCX-UHFFFAOYSA-N -1 1 395.376 0.561 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(c2cnccn2)CC1 ZINC000823606510 606843200 /nfs/dbraw/zinc/84/32/00/606843200.db2.gz JJRAMSMUOQDHPV-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821440805 606844135 /nfs/dbraw/zinc/84/41/35/606844135.db2.gz CHTYWPMEXXBAFN-SECBINFHSA-N -1 1 391.450 0.450 20 0 GCADMM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821113827 606844185 /nfs/dbraw/zinc/84/41/85/606844185.db2.gz FFVQRNIUGKMZDK-LLVKDONJSA-N -1 1 396.448 0.933 20 0 GCADMM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000823530117 606844590 /nfs/dbraw/zinc/84/45/90/606844590.db2.gz DGBVMDQJJUFXEF-GFCCVEGCSA-N -1 1 394.432 0.781 20 0 GCADMM Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)cn1 ZINC000822674116 606844596 /nfs/dbraw/zinc/84/45/96/606844596.db2.gz LPNAVEKNKXXASV-JTQLQIEISA-N -1 1 377.405 0.918 20 0 GCADMM CC(C)OCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820145719 606844737 /nfs/dbraw/zinc/84/47/37/606844737.db2.gz FCVFKMYIZRZVMA-UHFFFAOYSA-N -1 1 398.464 0.737 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820206438 606854344 /nfs/dbraw/zinc/85/43/44/606854344.db2.gz KMSZTCZXBWDIGW-LBPRGKRZSA-N -1 1 394.443 0.921 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820206438 606854345 /nfs/dbraw/zinc/85/43/45/606854345.db2.gz KMSZTCZXBWDIGW-LBPRGKRZSA-N -1 1 394.443 0.921 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccccc1O ZINC000820774428 606854864 /nfs/dbraw/zinc/85/48/64/606854864.db2.gz COMMFTXWDFSHRL-GFCCVEGCSA-N -1 1 380.412 0.642 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccccc1O ZINC000820774428 606854865 /nfs/dbraw/zinc/85/48/65/606854865.db2.gz COMMFTXWDFSHRL-GFCCVEGCSA-N -1 1 380.412 0.642 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000820788850 606855247 /nfs/dbraw/zinc/85/52/47/606855247.db2.gz PIIZFRXLVFLEOF-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000820788850 606855249 /nfs/dbraw/zinc/85/52/49/606855249.db2.gz PIIZFRXLVFLEOF-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM CCOc1ncccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821436946 606855440 /nfs/dbraw/zinc/85/54/40/606855440.db2.gz HXEWLQWCEJNYOL-GFCCVEGCSA-N -1 1 395.427 0.801 20 0 GCADMM CCOc1ncccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821436946 606855442 /nfs/dbraw/zinc/85/54/42/606855442.db2.gz HXEWLQWCEJNYOL-GFCCVEGCSA-N -1 1 395.427 0.801 20 0 GCADMM CCc1c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cnn1C ZINC000821461125 606855837 /nfs/dbraw/zinc/85/58/37/606855837.db2.gz JYTQMTXLPUPXKA-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cnn1C ZINC000821461125 606855839 /nfs/dbraw/zinc/85/58/39/606855839.db2.gz JYTQMTXLPUPXKA-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735632429 606872505 /nfs/dbraw/zinc/87/25/05/606872505.db2.gz COFZQQPAGRRQAX-SNVBAGLBSA-N -1 1 395.445 0.549 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735632429 606872507 /nfs/dbraw/zinc/87/25/07/606872507.db2.gz COFZQQPAGRRQAX-SNVBAGLBSA-N -1 1 395.445 0.549 20 0 GCADMM COC(=O)c1ccncc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821671255 606873573 /nfs/dbraw/zinc/87/35/73/606873573.db2.gz OMDOIKBFRQEHHH-UHFFFAOYSA-N -1 1 379.329 0.955 20 0 GCADMM O=C1OC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)CCN12 ZINC000823551507 606879042 /nfs/dbraw/zinc/87/90/42/606879042.db2.gz SYPOXRBRUJAWDU-QMMMGPOBSA-N -1 1 384.805 0.345 20 0 GCADMM O=C1OC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)CCN12 ZINC000823551507 606879043 /nfs/dbraw/zinc/87/90/43/606879043.db2.gz SYPOXRBRUJAWDU-QMMMGPOBSA-N -1 1 384.805 0.345 20 0 GCADMM CCOC(=O)[C@H](C)N(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821313149 606914077 /nfs/dbraw/zinc/91/40/77/606914077.db2.gz BCJIQRRALRUPKR-LBPRGKRZSA-N -1 1 398.427 0.874 20 0 GCADMM CCOC(=O)[C@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000821313149 606914079 /nfs/dbraw/zinc/91/40/79/606914079.db2.gz BCJIQRRALRUPKR-LBPRGKRZSA-N -1 1 398.427 0.874 20 0 GCADMM COCCc1noc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000821694406 606944268 /nfs/dbraw/zinc/94/42/68/606944268.db2.gz LRFYVXWBQKPXRR-UHFFFAOYSA-N -1 1 397.392 0.398 20 0 GCADMM COCCc1noc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000821694406 606944271 /nfs/dbraw/zinc/94/42/71/606944271.db2.gz LRFYVXWBQKPXRR-UHFFFAOYSA-N -1 1 397.392 0.398 20 0 GCADMM C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000821995063 606965310 /nfs/dbraw/zinc/96/53/10/606965310.db2.gz YXJCESHIUZAKAG-JTQLQIEISA-N -1 1 383.368 0.490 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccc(F)cn1 ZINC000820788793 606967178 /nfs/dbraw/zinc/96/71/78/606967178.db2.gz OKFWGXQUMLSTEY-LLVKDONJSA-N -1 1 398.406 0.611 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccc(F)cn1 ZINC000820788793 606967180 /nfs/dbraw/zinc/96/71/80/606967180.db2.gz OKFWGXQUMLSTEY-LLVKDONJSA-N -1 1 398.406 0.611 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccc(F)cn1 ZINC000820788794 606967485 /nfs/dbraw/zinc/96/74/85/606967485.db2.gz OKFWGXQUMLSTEY-NSHDSACASA-N -1 1 398.406 0.611 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccc(F)cn1 ZINC000820788794 606967487 /nfs/dbraw/zinc/96/74/87/606967487.db2.gz OKFWGXQUMLSTEY-NSHDSACASA-N -1 1 398.406 0.611 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(C(N)=O)nc1 ZINC000822010102 606969957 /nfs/dbraw/zinc/96/99/57/606969957.db2.gz NLMCXXGOUBEREA-UHFFFAOYSA-N -1 1 382.384 0.649 20 0 GCADMM O=S(=O)(NCC[C@@H]1COc2ccccc2O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572494 607006529 /nfs/dbraw/zinc/00/65/29/607006529.db2.gz IGSXDENMSQJGCI-LLVKDONJSA-N -1 1 388.409 0.770 20 0 GCADMM O=S(=O)(NCC[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572494 607006530 /nfs/dbraw/zinc/00/65/30/607006530.db2.gz IGSXDENMSQJGCI-LLVKDONJSA-N -1 1 388.409 0.770 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821969952 607020564 /nfs/dbraw/zinc/02/05/64/607020564.db2.gz HFVRCAQQTWUEJI-QWRGUYRKSA-N -1 1 389.441 0.572 20 0 GCADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820956690 607033302 /nfs/dbraw/zinc/03/33/02/607033302.db2.gz JVIFYHFCPRUNRJ-WDEREUQCSA-N -1 1 377.449 0.294 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820788755 607062388 /nfs/dbraw/zinc/06/23/88/607062388.db2.gz NNTYNFYLHWTRAL-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820788755 607062390 /nfs/dbraw/zinc/06/23/90/607062390.db2.gz NNTYNFYLHWTRAL-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820994735 607063368 /nfs/dbraw/zinc/06/33/68/607063368.db2.gz KOVUOLRDVATQQA-PWSUYJOCSA-N -1 1 379.446 0.052 20 0 GCADMM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820994735 607063369 /nfs/dbraw/zinc/06/33/69/607063369.db2.gz KOVUOLRDVATQQA-PWSUYJOCSA-N -1 1 379.446 0.052 20 0 GCADMM CCOC(=O)C(C)(C)n1cc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC000821313405 607069751 /nfs/dbraw/zinc/06/97/51/607069751.db2.gz DYMFHYXRHCOYRE-UHFFFAOYSA-N -1 1 388.392 0.739 20 0 GCADMM CCOC(=O)C(C)(C)n1cc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC000821313405 607069753 /nfs/dbraw/zinc/06/97/53/607069753.db2.gz DYMFHYXRHCOYRE-UHFFFAOYSA-N -1 1 388.392 0.739 20 0 GCADMM COc1cc(OC)cc(C(=O)NCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000821723480 607103024 /nfs/dbraw/zinc/10/30/24/607103024.db2.gz ANGNRJAYXKCKOU-UHFFFAOYSA-N -1 1 389.397 0.709 20 0 GCADMM COc1cc(OC)cc(C(=O)NCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000821723480 607103026 /nfs/dbraw/zinc/10/30/26/607103026.db2.gz ANGNRJAYXKCKOU-UHFFFAOYSA-N -1 1 389.397 0.709 20 0 GCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000823521749 607104201 /nfs/dbraw/zinc/10/42/01/607104201.db2.gz ZTTARSGRIWFAFY-JTQLQIEISA-N -1 1 383.393 0.781 20 0 GCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000823521749 607104203 /nfs/dbraw/zinc/10/42/03/607104203.db2.gz ZTTARSGRIWFAFY-JTQLQIEISA-N -1 1 383.393 0.781 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H]1CCCNC1=O ZINC000822458080 607112074 /nfs/dbraw/zinc/11/20/74/607112074.db2.gz CLUMKWBLXUQJFD-CYBMUJFWSA-N -1 1 384.400 0.281 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H]1CCCNC1=O ZINC000822458080 607112076 /nfs/dbraw/zinc/11/20/76/607112076.db2.gz CLUMKWBLXUQJFD-CYBMUJFWSA-N -1 1 384.400 0.281 20 0 GCADMM CS(=O)(=O)CCCCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821927107 607112970 /nfs/dbraw/zinc/11/29/70/607112970.db2.gz PDHSFMHWTHADDH-UHFFFAOYSA-N -1 1 395.489 0.679 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@](C)(c3ccccc3)C2)n(C)c1=O ZINC000822600986 607116940 /nfs/dbraw/zinc/11/69/40/607116940.db2.gz RZPAOMZCBHYTEZ-GOSISDBHSA-N -1 1 383.412 0.016 20 0 GCADMM COC(=O)CCCCCCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821660070 607117620 /nfs/dbraw/zinc/11/76/20/607117620.db2.gz FBZMINXZEGGBFX-UHFFFAOYSA-N -1 1 379.421 0.190 20 0 GCADMM COC(=O)[C@@]1(C)CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821651588 607137798 /nfs/dbraw/zinc/13/77/98/607137798.db2.gz BXTJEFVUBCBSAK-SFHVURJKSA-N -1 1 388.428 0.928 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCS[C@H]2COCC[C@@H]21 ZINC000823607420 607146319 /nfs/dbraw/zinc/14/63/19/607146319.db2.gz UYSHMVWHBGDFPV-QWRGUYRKSA-N -1 1 385.446 0.901 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCS[C@H]2COCC[C@@H]21 ZINC000823607420 607146320 /nfs/dbraw/zinc/14/63/20/607146320.db2.gz UYSHMVWHBGDFPV-QWRGUYRKSA-N -1 1 385.446 0.901 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000823607421 607146638 /nfs/dbraw/zinc/14/66/38/607146638.db2.gz UYSHMVWHBGDFPV-WDEREUQCSA-N -1 1 385.446 0.901 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000823607421 607146640 /nfs/dbraw/zinc/14/66/40/607146640.db2.gz UYSHMVWHBGDFPV-WDEREUQCSA-N -1 1 385.446 0.901 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(CC(F)F)C(C)C)CC2)o1 ZINC000822423328 607148927 /nfs/dbraw/zinc/14/89/27/607148927.db2.gz JOCCYCUQTJIHNT-UHFFFAOYSA-N -1 1 398.418 0.787 20 0 GCADMM Cc1nn(C[C@H](O)COc2cccc3[nH]ccc32)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500974 607150986 /nfs/dbraw/zinc/15/09/86/607150986.db2.gz PGNGKALRPYAJEO-LBPRGKRZSA-N -1 1 381.396 0.961 20 0 GCADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])S(=O)(=O)C1CCOCC1 ZINC000819867988 607157254 /nfs/dbraw/zinc/15/72/54/607157254.db2.gz WRKVDDSSWHAVCQ-SECBINFHSA-N -1 1 381.414 0.493 20 0 GCADMM Cc1nc(N(C)C)nc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000822449819 607173049 /nfs/dbraw/zinc/17/30/49/607173049.db2.gz QHUWSTJADQCATP-UHFFFAOYSA-N -1 1 397.447 0.618 20 0 GCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000821572324 607207350 /nfs/dbraw/zinc/20/73/50/607207350.db2.gz ZWLFQPKOQVUBSU-UHFFFAOYSA-N -1 1 391.436 0.316 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000823136092 607207802 /nfs/dbraw/zinc/20/78/02/607207802.db2.gz JRQXPRDYQPMXMY-GFCCVEGCSA-N -1 1 383.372 0.214 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(OCc2ccccn2)cc1 ZINC000823131130 607209260 /nfs/dbraw/zinc/20/92/60/607209260.db2.gz CFNVGMAXPOMTAY-UHFFFAOYSA-N -1 1 391.395 0.749 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000823131717 607209373 /nfs/dbraw/zinc/20/93/73/607209373.db2.gz MMQLVIBACNLBAQ-UHFFFAOYSA-N -1 1 389.807 0.647 20 0 GCADMM CC1CCN(C(=O)c2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820715722 607209558 /nfs/dbraw/zinc/20/95/58/607209558.db2.gz DQZWLAUPFBCVEP-UHFFFAOYSA-N -1 1 395.427 0.969 20 0 GCADMM CCN(CC)C(=O)C1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCCC1 ZINC000821170771 607209698 /nfs/dbraw/zinc/20/96/98/607209698.db2.gz WGQCLOAFVLETPR-UHFFFAOYSA-N -1 1 375.437 0.146 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000823125704 607209760 /nfs/dbraw/zinc/20/97/60/607209760.db2.gz BKPCAUJWHNVILG-MRXNPFEDSA-N -1 1 375.396 0.892 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1cccc(Br)c1 ZINC000823131546 607209946 /nfs/dbraw/zinc/20/99/46/607209946.db2.gz JDRLHMFWMHMYMD-UHFFFAOYSA-N -1 1 393.205 0.416 20 0 GCADMM COc1cc2c(cc1OC)CCN(C(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000821727174 607210619 /nfs/dbraw/zinc/21/06/19/607210619.db2.gz DNSCZLQSEPTXRP-UHFFFAOYSA-N -1 1 384.400 0.103 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000820335387 607211051 /nfs/dbraw/zinc/21/10/51/607211051.db2.gz XOJWGDNPEYGDKR-NSHDSACASA-N -1 1 381.400 0.462 20 0 GCADMM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822596848 607211523 /nfs/dbraw/zinc/21/15/23/607211523.db2.gz WOOSGIVWYXRAIZ-ZDUSSCGKSA-N -1 1 378.400 0.709 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000823126048 607211897 /nfs/dbraw/zinc/21/18/97/607211897.db2.gz GHHJOUMFIHDCRO-SNVBAGLBSA-N -1 1 389.370 0.379 20 0 GCADMM COc1ccc(Br)cc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821768956 607212022 /nfs/dbraw/zinc/21/20/22/607212022.db2.gz BSRZXRKHWQRQQJ-UHFFFAOYSA-N -1 1 393.205 0.546 20 0 GCADMM Cc1cccc(NC(=O)N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000822323285 607212691 /nfs/dbraw/zinc/21/26/91/607212691.db2.gz CYEYNNOZCVEAPP-UHFFFAOYSA-N -1 1 396.415 0.143 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000823126282 607213822 /nfs/dbraw/zinc/21/38/22/607213822.db2.gz HCAPROKXORDQKE-LBPRGKRZSA-N -1 1 392.782 0.851 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1ccc(Br)cc1F ZINC000823131936 607215508 /nfs/dbraw/zinc/21/55/08/607215508.db2.gz RHZMVRPKTVTZTI-UHFFFAOYSA-N -1 1 395.196 0.719 20 0 GCADMM CC(C)(C)OC(=O)NCC1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC000819940368 607215781 /nfs/dbraw/zinc/21/57/81/607215781.db2.gz YULBLAPITNKZIC-UHFFFAOYSA-N -1 1 391.436 0.412 20 0 GCADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821154063 607216028 /nfs/dbraw/zinc/21/60/28/607216028.db2.gz IFLHUYPJAHJBIH-CYBMUJFWSA-N -1 1 381.400 0.112 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000820735098 607216461 /nfs/dbraw/zinc/21/64/61/607216461.db2.gz QDUGKPLIRZCUPD-QWRGUYRKSA-N -1 1 391.436 0.315 20 0 GCADMM C[S@](=O)Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1Cl ZINC000821941129 607217488 /nfs/dbraw/zinc/21/74/88/607217488.db2.gz CJWLHINJXICWCH-VWLOTQADSA-N -1 1 380.821 0.629 20 0 GCADMM CC(C)n1c(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc2ccccc21 ZINC000820211419 607217921 /nfs/dbraw/zinc/21/79/21/607217921.db2.gz MCQJEYZDWCVLHX-UHFFFAOYSA-N -1 1 380.416 0.748 20 0 GCADMM Cc1ccc(CN2CCOCC2)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822237094 607218594 /nfs/dbraw/zinc/21/85/94/607218594.db2.gz DXSGBBNPRMLHQS-UHFFFAOYSA-N -1 1 383.416 0.238 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000823136131 607219014 /nfs/dbraw/zinc/21/90/14/607219014.db2.gz LJCGNZLGKGIPQW-NSHDSACASA-N -1 1 387.379 0.827 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000823487405 607219250 /nfs/dbraw/zinc/21/92/50/607219250.db2.gz CKASYJGIUVSPTO-LBPRGKRZSA-N -1 1 384.375 0.719 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819939657 607219253 /nfs/dbraw/zinc/21/92/53/607219253.db2.gz HRCUJFUVAYGKNN-WDEREUQCSA-N -1 1 391.436 0.268 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000821596178 607220134 /nfs/dbraw/zinc/22/01/34/607220134.db2.gz BVOTYWOAWDHAOU-NSHDSACASA-N -1 1 391.436 0.316 20 0 GCADMM COc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1Br ZINC000821720030 607221320 /nfs/dbraw/zinc/22/13/20/607221320.db2.gz MHZUDWDVWHVRNZ-UHFFFAOYSA-N -1 1 379.178 0.868 20 0 GCADMM CCN(C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1)CC(F)(F)F ZINC000821197311 607221651 /nfs/dbraw/zinc/22/16/51/607221651.db2.gz ITGROUIFYPSSKE-JTQLQIEISA-N -1 1 387.370 0.191 20 0 GCADMM COc1cc(OC)cc(OCCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821724352 607222301 /nfs/dbraw/zinc/22/23/01/607222301.db2.gz TVPCZAINHYHENR-UHFFFAOYSA-N -1 1 388.388 0.061 20 0 GCADMM CCOc1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1OC(F)F ZINC000821431599 607222726 /nfs/dbraw/zinc/22/27/26/607222726.db2.gz XCJADPZBIKMABM-UHFFFAOYSA-N -1 1 394.342 0.775 20 0 GCADMM COCCOCCN(Cc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821693146 607223178 /nfs/dbraw/zinc/22/31/78/607223178.db2.gz UFNJHLGAVYOKRV-UHFFFAOYSA-N -1 1 386.416 0.150 20 0 GCADMM Cc1cc(-c2noc([C@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)ccc1F ZINC000822151248 607223867 /nfs/dbraw/zinc/22/38/67/607223867.db2.gz AEGRYCBBKFTHCB-VIFPVBQESA-N -1 1 398.362 0.833 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000823126996 607224610 /nfs/dbraw/zinc/22/46/10/607224610.db2.gz QDAPJRKPBMUMGO-JTQLQIEISA-N -1 1 383.199 0.615 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(O)c(Br)c1 ZINC000823131992 607235310 /nfs/dbraw/zinc/23/53/10/607235310.db2.gz UQGSDFVJXYFUMH-UHFFFAOYSA-N -1 1 379.178 0.243 20 0 GCADMM O=C(Nc1ccccc1Oc1ncccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCOC1 ZINC000826457749 607776086 /nfs/dbraw/zinc/77/60/86/607776086.db2.gz OLIFAGLCDANGJF-LLVKDONJSA-N -1 1 395.379 0.898 20 0 GCADMM C[C@H](CC(=O)OCc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824391693 607810863 /nfs/dbraw/zinc/81/08/63/607810863.db2.gz JLMCYQWGQQPTDY-LLVKDONJSA-N -1 1 399.411 0.198 20 0 GCADMM C[C@@H](CC(=O)OCc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824391695 607810898 /nfs/dbraw/zinc/81/08/98/607810898.db2.gz JLMCYQWGQQPTDY-NSHDSACASA-N -1 1 399.411 0.198 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](C[C@H]2CCOC2)c2ccccc2)n(C)c1=O ZINC000826355724 607811265 /nfs/dbraw/zinc/81/12/65/607811265.db2.gz KXERYPNEOCALKD-OCCSQVGLSA-N -1 1 397.439 0.844 20 0 GCADMM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824288742 607811549 /nfs/dbraw/zinc/81/15/49/607811549.db2.gz MEOOLWINHAFMLE-UHFFFAOYSA-N -1 1 391.450 0.450 20 0 GCADMM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824288982 607811633 /nfs/dbraw/zinc/81/16/33/607811633.db2.gz SGTBSZGWACRDQJ-UHFFFAOYSA-N -1 1 391.450 0.450 20 0 GCADMM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824288982 607811634 /nfs/dbraw/zinc/81/16/34/607811634.db2.gz SGTBSZGWACRDQJ-UHFFFAOYSA-N -1 1 391.450 0.450 20 0 GCADMM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826222807 607811880 /nfs/dbraw/zinc/81/18/80/607811880.db2.gz NTUCXSZSMIAKEQ-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOC[C@H](C)C1 ZINC000826328542 607826559 /nfs/dbraw/zinc/82/65/59/607826559.db2.gz VGRHHJLKJRWNDA-LLVKDONJSA-N -1 1 384.444 0.954 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOC[C@H](C)C1 ZINC000826328542 607826560 /nfs/dbraw/zinc/82/65/60/607826560.db2.gz VGRHHJLKJRWNDA-LLVKDONJSA-N -1 1 384.444 0.954 20 0 GCADMM O=C(COC(=O)[C@H]1CCC(=O)O1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826414616 607826832 /nfs/dbraw/zinc/82/68/32/607826832.db2.gz CRIJJWJREGMIGZ-GFCCVEGCSA-N -1 1 397.351 0.240 20 0 GCADMM O=C(COC(=O)[C@H]1CCC(=O)O1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826414616 607826833 /nfs/dbraw/zinc/82/68/33/607826833.db2.gz CRIJJWJREGMIGZ-GFCCVEGCSA-N -1 1 397.351 0.240 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@@H]3CCO[C@@H]3C)CC2)o1 ZINC000826322835 607845530 /nfs/dbraw/zinc/84/55/30/607845530.db2.gz DDERPSQLDYKKAU-ZYHUDNBSSA-N -1 1 393.473 0.722 20 0 GCADMM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000823972458 607851543 /nfs/dbraw/zinc/85/15/43/607851543.db2.gz BPLUPPNRKHSWTQ-NSHDSACASA-N -1 1 382.421 0.495 20 0 GCADMM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000823973078 607852797 /nfs/dbraw/zinc/85/27/97/607852797.db2.gz HUAZONXGEFPOKA-LLVKDONJSA-N -1 1 382.421 0.495 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)[C@H]2C1 ZINC000826145855 607853124 /nfs/dbraw/zinc/85/31/24/607853124.db2.gz MYGSTARSUGNHOH-SWHYSGLUSA-N -1 1 380.430 0.219 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)[C@H]2C1 ZINC000826145855 607853125 /nfs/dbraw/zinc/85/31/25/607853125.db2.gz MYGSTARSUGNHOH-SWHYSGLUSA-N -1 1 380.430 0.219 20 0 GCADMM NS(=O)(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826395218 607867892 /nfs/dbraw/zinc/86/78/92/607867892.db2.gz SADBDUUHVYEZDJ-UHFFFAOYSA-N -1 1 399.385 0.421 20 0 GCADMM NS(=O)(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826395218 607867893 /nfs/dbraw/zinc/86/78/93/607867893.db2.gz SADBDUUHVYEZDJ-UHFFFAOYSA-N -1 1 399.385 0.421 20 0 GCADMM NS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826395267 607867977 /nfs/dbraw/zinc/86/79/77/607867977.db2.gz UTDXJGIGCKLAFJ-UHFFFAOYSA-N -1 1 399.385 0.421 20 0 GCADMM NS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826395267 607867978 /nfs/dbraw/zinc/86/79/78/607867978.db2.gz UTDXJGIGCKLAFJ-UHFFFAOYSA-N -1 1 399.385 0.421 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000824108158 607897002 /nfs/dbraw/zinc/89/70/02/607897002.db2.gz CBCRGFMTBFIUGQ-UHFFFAOYSA-N -1 1 388.432 0.753 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000824108158 607897003 /nfs/dbraw/zinc/89/70/03/607897003.db2.gz CBCRGFMTBFIUGQ-UHFFFAOYSA-N -1 1 388.432 0.753 20 0 GCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc([S@@](C)=O)cc1 ZINC000824650887 607902589 /nfs/dbraw/zinc/90/25/89/607902589.db2.gz VRKWUWLTUOMNEK-IQSLBTHBSA-N -1 1 389.441 0.175 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)co1 ZINC000826090740 607906134 /nfs/dbraw/zinc/90/61/34/607906134.db2.gz NHZHRCBGLLJTRR-VIFPVBQESA-N -1 1 376.398 0.859 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825211598 607907096 /nfs/dbraw/zinc/90/70/96/607907096.db2.gz NMBBUVWOKIGNKL-AAEUAGOBSA-N -1 1 379.446 0.187 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825211598 607907097 /nfs/dbraw/zinc/90/70/97/607907097.db2.gz NMBBUVWOKIGNKL-AAEUAGOBSA-N -1 1 379.446 0.187 20 0 GCADMM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826328877 607910795 /nfs/dbraw/zinc/91/07/95/607910795.db2.gz IDYJNZDBPVNWQZ-ZDUSSCGKSA-N -1 1 392.427 0.808 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)c(-c3nn[nH]n3)c2)co1 ZINC000826090802 607919284 /nfs/dbraw/zinc/91/92/84/607919284.db2.gz PMKQZZNQJQNUHY-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2-c2nn[nH]n2)co1 ZINC000826090183 607919371 /nfs/dbraw/zinc/91/93/71/607919371.db2.gz DBNZKADHIIMZBW-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825658233 607937154 /nfs/dbraw/zinc/93/71/54/607937154.db2.gz BVGVRILZARRQJH-QMMMGPOBSA-N -1 1 393.878 0.622 20 0 GCADMM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825658233 607937155 /nfs/dbraw/zinc/93/71/55/607937155.db2.gz BVGVRILZARRQJH-QMMMGPOBSA-N -1 1 393.878 0.622 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cn[nH]c1 ZINC000824492068 607940675 /nfs/dbraw/zinc/94/06/75/607940675.db2.gz XLUAVSLJJYSMTB-WDEREUQCSA-N -1 1 383.420 0.361 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cn[nH]c1 ZINC000824492068 607940676 /nfs/dbraw/zinc/94/06/76/607940676.db2.gz XLUAVSLJJYSMTB-WDEREUQCSA-N -1 1 383.420 0.361 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000826424847 607958858 /nfs/dbraw/zinc/95/88/58/607958858.db2.gz GKYAHVAZIZXJJS-UHFFFAOYSA-N -1 1 391.798 0.600 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cncc(I)c1 ZINC000826395790 607961353 /nfs/dbraw/zinc/96/13/53/607961353.db2.gz SNDLTBYLVMSVGG-UHFFFAOYSA-N -1 1 382.125 0.334 20 0 GCADMM COC(=O)[C@]1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCSC1 ZINC000826124094 607973382 /nfs/dbraw/zinc/97/33/82/607973382.db2.gz OCCHMUNXSKBDEH-ZDUSSCGKSA-N -1 1 387.418 0.333 20 0 GCADMM C[C@H](Oc1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1)C(N)=O ZINC000824744638 607973928 /nfs/dbraw/zinc/97/39/28/607973928.db2.gz CPQLCQNKGWUNCQ-JTQLQIEISA-N -1 1 389.393 0.887 20 0 GCADMM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824108052 607976033 /nfs/dbraw/zinc/97/60/33/607976033.db2.gz AXBHFRMJUSDRAR-LLVKDONJSA-N -1 1 391.388 0.074 20 0 GCADMM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824108052 607976034 /nfs/dbraw/zinc/97/60/34/607976034.db2.gz AXBHFRMJUSDRAR-LLVKDONJSA-N -1 1 391.388 0.074 20 0 GCADMM COCC(=O)N(C)CC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826147732 607979539 /nfs/dbraw/zinc/97/95/39/607979539.db2.gz JZFPMIREUYRIFV-UHFFFAOYSA-N -1 1 399.411 0.509 20 0 GCADMM COc1ccc(S(=O)(=O)N2CC(Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000826211744 607987155 /nfs/dbraw/zinc/98/71/55/607987155.db2.gz SBLGYIRTUUURAW-UHFFFAOYSA-N -1 1 388.413 0.150 20 0 GCADMM COc1ccc(S(=O)(=O)N2CC(Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000826211744 607987156 /nfs/dbraw/zinc/98/71/56/607987156.db2.gz SBLGYIRTUUURAW-UHFFFAOYSA-N -1 1 388.413 0.150 20 0 GCADMM CC(C)[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])N1CCCS1(=O)=O ZINC000824185340 607997880 /nfs/dbraw/zinc/99/78/80/607997880.db2.gz WNKPLCPSLZEBAG-CYBMUJFWSA-N -1 1 380.430 0.571 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](Cc1ccccc1)n1cnnn1 ZINC000826451215 607998944 /nfs/dbraw/zinc/99/89/44/607998944.db2.gz WBAUWUZKWQNMAW-CQSZACIVSA-N -1 1 377.368 0.981 20 0 GCADMM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825887543 608000663 /nfs/dbraw/zinc/00/06/63/608000663.db2.gz IPFDMHFHSMHESJ-UHFFFAOYSA-N -1 1 384.849 0.939 20 0 GCADMM COC[C@@H](CCO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826149333 608000816 /nfs/dbraw/zinc/00/08/16/608000816.db2.gz FLZKJVVTJVFNES-SECBINFHSA-N -1 1 395.363 0.561 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000825865837 608010000 /nfs/dbraw/zinc/01/00/00/608010000.db2.gz MXDGRZKAMGIDFL-UHFFFAOYSA-N -1 1 388.837 0.157 20 0 GCADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C[C@@H]1O ZINC000825202468 608039729 /nfs/dbraw/zinc/03/97/29/608039729.db2.gz KNEAFIWUKBOOFM-WFASDCNBSA-N -1 1 384.444 0.688 20 0 GCADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C[C@@H]1O ZINC000825202468 608039730 /nfs/dbraw/zinc/03/97/30/608039730.db2.gz KNEAFIWUKBOOFM-WFASDCNBSA-N -1 1 384.444 0.688 20 0 GCADMM COc1ccc(C[C@H](C)CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000826191399 608051953 /nfs/dbraw/zinc/05/19/53/608051953.db2.gz FZYQZVSBAGZZFN-LBPRGKRZSA-N -1 1 399.455 0.588 20 0 GCADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000826104582 608057309 /nfs/dbraw/zinc/05/73/09/608057309.db2.gz ZMAOZVVRXRFJPR-MRVPVSSYSA-N -1 1 379.320 0.481 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H]1CC(=O)N(C2CC2)C1 ZINC000826232809 608076519 /nfs/dbraw/zinc/07/65/19/608076519.db2.gz JGEPZEJRACKJFS-LBPRGKRZSA-N -1 1 386.412 0.823 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC2CCN(C(=O)OC(C)(C)C)CC2)c1=O ZINC000826356646 608095802 /nfs/dbraw/zinc/09/58/02/608095802.db2.gz ZSLRDZQTJGUSGC-UHFFFAOYSA-N -1 1 391.432 0.374 20 0 GCADMM COc1cc(-c2noc(Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)n2)ccc1C ZINC000826176858 608096324 /nfs/dbraw/zinc/09/63/24/608096324.db2.gz HOPAWTHDKRDUHH-UHFFFAOYSA-N -1 1 396.367 0.142 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(F)cc(Br)c2)c1=O ZINC000826356871 608096468 /nfs/dbraw/zinc/09/64/68/608096468.db2.gz JBYUCERKIMUKJJ-UHFFFAOYSA-N -1 1 381.165 0.677 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc3cc(C(F)(F)F)ccc3o2)c1=O ZINC000826357149 608096810 /nfs/dbraw/zinc/09/68/10/608096810.db2.gz SZXQWNBWBIZYGZ-UHFFFAOYSA-N -1 1 393.285 0.935 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@@H](C2CC2)CC1=O ZINC000824999541 608096983 /nfs/dbraw/zinc/09/69/83/608096983.db2.gz HJYZOGIDGACNBG-OCCSQVGLSA-N -1 1 383.460 0.383 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@@H](C2CC2)CC1=O ZINC000824999541 608096984 /nfs/dbraw/zinc/09/69/84/608096984.db2.gz HJYZOGIDGACNBG-OCCSQVGLSA-N -1 1 383.460 0.383 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@@H](C2CC2)CC1=O ZINC000824999540 608097073 /nfs/dbraw/zinc/09/70/73/608097073.db2.gz HJYZOGIDGACNBG-JSGCOSHPSA-N -1 1 383.460 0.383 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@@H](C2CC2)CC1=O ZINC000824999540 608097074 /nfs/dbraw/zinc/09/70/74/608097074.db2.gz HJYZOGIDGACNBG-JSGCOSHPSA-N -1 1 383.460 0.383 20 0 GCADMM CCc1nnc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)[nH]1 ZINC000825740626 608108890 /nfs/dbraw/zinc/10/88/90/608108890.db2.gz WJPGDJWQFCVJHX-ZCFIWIBFSA-N -1 1 375.418 0.861 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccnc(CO)c1 ZINC000826327942 608109110 /nfs/dbraw/zinc/10/91/10/608109110.db2.gz AFTKPYYDCYWTMF-UHFFFAOYSA-N -1 1 393.411 0.985 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccnc(CO)c1 ZINC000826327942 608109111 /nfs/dbraw/zinc/10/91/11/608109111.db2.gz AFTKPYYDCYWTMF-UHFFFAOYSA-N -1 1 393.411 0.985 20 0 GCADMM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)CCN12 ZINC000826483181 608111894 /nfs/dbraw/zinc/11/18/94/608111894.db2.gz DLXRMUUIEKVJIT-JTQLQIEISA-N -1 1 398.832 0.735 20 0 GCADMM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CN1 ZINC000826478829 608111981 /nfs/dbraw/zinc/11/19/81/608111981.db2.gz KHFMIYJCOFCRML-QMTHXVAHSA-N -1 1 394.432 0.685 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[C@H]1CCOC1 ZINC000825000526 608130113 /nfs/dbraw/zinc/13/01/13/608130113.db2.gz RRMWQNSCKKVCDV-STQMWFEESA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[C@H]1CCOC1 ZINC000825000526 608130114 /nfs/dbraw/zinc/13/01/14/608130114.db2.gz RRMWQNSCKKVCDV-STQMWFEESA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[C@@H]1CCOC1 ZINC000825000525 608130318 /nfs/dbraw/zinc/13/03/18/608130318.db2.gz RRMWQNSCKKVCDV-QWHCGFSZSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[C@@H]1CCOC1 ZINC000825000525 608130319 /nfs/dbraw/zinc/13/03/19/608130319.db2.gz RRMWQNSCKKVCDV-QWHCGFSZSA-N -1 1 387.448 0.303 20 0 GCADMM Cc1oc(NC(=O)CN(C)CC(C)(C)S(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000826341933 608169824 /nfs/dbraw/zinc/16/98/24/608169824.db2.gz SYHXUUVBZXKNKX-UHFFFAOYSA-N -1 1 384.462 0.770 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCC1=O ZINC000824865786 608179864 /nfs/dbraw/zinc/17/98/64/608179864.db2.gz JOUXFRLLLFNAHO-AGIUHOORSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCC1=O ZINC000824865786 608179866 /nfs/dbraw/zinc/17/98/66/608179866.db2.gz JOUXFRLLLFNAHO-AGIUHOORSA-N -1 1 384.444 0.699 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](CO)CC(F)(F)F ZINC000826232963 608182447 /nfs/dbraw/zinc/18/24/47/608182447.db2.gz OHZGCFVMIRLMSN-VIFPVBQESA-N -1 1 388.350 0.946 20 0 GCADMM CC(C)(C)[C@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824071184 608192812 /nfs/dbraw/zinc/19/28/12/608192812.db2.gz GSOFDLVCCAXDHK-GFCCVEGCSA-N -1 1 375.433 0.788 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](O)c1c(F)cccc1Cl ZINC000824492445 608202307 /nfs/dbraw/zinc/20/23/07/608202307.db2.gz ZAGZPWYQPHFBCE-JMCQJSRRSA-N -1 1 380.771 0.489 20 0 GCADMM CC[C@H](CO)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)CC1 ZINC000825120460 608205345 /nfs/dbraw/zinc/20/53/45/608205345.db2.gz KHETVAYEDGVIEU-SNVBAGLBSA-N -1 1 393.473 0.218 20 0 GCADMM CCNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000825476531 608210978 /nfs/dbraw/zinc/21/09/78/608210978.db2.gz MUKKAAJDISLKEO-LLVKDONJSA-N -1 1 397.461 0.029 20 0 GCADMM CCC(=O)N1CCCC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825034352 608211045 /nfs/dbraw/zinc/21/10/45/608211045.db2.gz IHEDRFXFDZGHRF-GFCCVEGCSA-N -1 1 389.464 0.354 20 0 GCADMM CCC(=O)N1CCCC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825034352 608211047 /nfs/dbraw/zinc/21/10/47/608211047.db2.gz IHEDRFXFDZGHRF-GFCCVEGCSA-N -1 1 389.464 0.354 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSc1nncs1 ZINC000825930301 608211439 /nfs/dbraw/zinc/21/14/39/608211439.db2.gz RSAACIHRUFAZHF-UHFFFAOYSA-N -1 1 380.463 0.207 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSc1nncs1 ZINC000825930301 608211441 /nfs/dbraw/zinc/21/14/41/608211441.db2.gz RSAACIHRUFAZHF-UHFFFAOYSA-N -1 1 380.463 0.207 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000825923601 608211691 /nfs/dbraw/zinc/21/16/91/608211691.db2.gz OBNULYBJNAWGNM-CYBMUJFWSA-N -1 1 386.391 0.706 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000825923601 608211692 /nfs/dbraw/zinc/21/16/92/608211692.db2.gz OBNULYBJNAWGNM-CYBMUJFWSA-N -1 1 386.391 0.706 20 0 GCADMM CCc1nc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000825746141 608212881 /nfs/dbraw/zinc/21/28/81/608212881.db2.gz SEVLGIZHWHCXLK-UHFFFAOYSA-N -1 1 375.462 0.825 20 0 GCADMM CCc1nc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000825746141 608212882 /nfs/dbraw/zinc/21/28/82/608212882.db2.gz SEVLGIZHWHCXLK-UHFFFAOYSA-N -1 1 375.462 0.825 20 0 GCADMM O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)[C@]1(O)CCSC1 ZINC000826426668 608231371 /nfs/dbraw/zinc/23/13/71/608231371.db2.gz SWKDCVLFVGQSEY-INIZCTEOSA-N -1 1 391.457 0.249 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccccc2)[C@H]2CCOC2)n(C)c1=O ZINC000826355607 608238627 /nfs/dbraw/zinc/23/86/27/608238627.db2.gz HHGLQYBRBKLRQJ-GXTWGEPZSA-N -1 1 383.412 0.454 20 0 GCADMM CC[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)[C@@H](O)C(F)(F)F ZINC000825149455 608239174 /nfs/dbraw/zinc/23/91/74/608239174.db2.gz YOZWTAPWMSCIAF-WCBMZHEXSA-N -1 1 383.327 0.986 20 0 GCADMM COC[C@H](O)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826151915 608245787 /nfs/dbraw/zinc/24/57/87/608245787.db2.gz MIGIQITWTZHDAF-SNVBAGLBSA-N -1 1 378.458 0.988 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1ccn(C)n1 ZINC000826328429 608247141 /nfs/dbraw/zinc/24/71/41/608247141.db2.gz QZDMPAIYLKYOIP-UHFFFAOYSA-N -1 1 380.416 0.509 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1ccn(C)n1 ZINC000826328429 608247143 /nfs/dbraw/zinc/24/71/43/608247143.db2.gz QZDMPAIYLKYOIP-UHFFFAOYSA-N -1 1 380.416 0.509 20 0 GCADMM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824058772 608250522 /nfs/dbraw/zinc/25/05/22/608250522.db2.gz BRITTZYTRUBVMU-LURJTMIESA-N -1 1 378.336 0.380 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826340713 608250560 /nfs/dbraw/zinc/25/05/60/608250560.db2.gz IBLFIKHOVADCAF-LLVKDONJSA-N -1 1 399.411 0.224 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826340713 608250562 /nfs/dbraw/zinc/25/05/62/608250562.db2.gz IBLFIKHOVADCAF-LLVKDONJSA-N -1 1 399.411 0.224 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826425332 608251035 /nfs/dbraw/zinc/25/10/35/608251035.db2.gz YJQFWQKGJUEKAH-OAHLLOKOSA-N -1 1 379.359 0.898 20 0 GCADMM CC(C)Cn1ncc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C(C)C ZINC000824285084 608302411 /nfs/dbraw/zinc/30/24/11/608302411.db2.gz WQFWBPXGOPBXKS-UHFFFAOYSA-N -1 1 387.448 0.984 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCS(=O)(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826332440 608315522 /nfs/dbraw/zinc/31/55/22/608315522.db2.gz UMUPQEIPINDSLN-GFCCVEGCSA-N -1 1 387.469 0.980 20 0 GCADMM COC(=O)CN(CC(=O)OC)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826138526 608316603 /nfs/dbraw/zinc/31/66/03/608316603.db2.gz YHEMDDYDZMCXDX-UHFFFAOYSA-N -1 1 399.411 0.509 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCSC[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826332467 608322259 /nfs/dbraw/zinc/32/22/59/608322259.db2.gz VKLIBVRTEMLKDH-AWEZNQCLSA-N -1 1 384.469 0.764 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCCOCC2CC2)n1 ZINC000824147716 608339535 /nfs/dbraw/zinc/33/95/35/608339535.db2.gz HQGRUADONNZIMQ-UHFFFAOYSA-N -1 1 390.448 0.690 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCCOCC2CC2)n1 ZINC000824147716 608339537 /nfs/dbraw/zinc/33/95/37/608339537.db2.gz HQGRUADONNZIMQ-UHFFFAOYSA-N -1 1 390.448 0.690 20 0 GCADMM CC(C)COCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824270849 608340252 /nfs/dbraw/zinc/34/02/52/608340252.db2.gz HWBZLHHMWRYHDL-UHFFFAOYSA-N -1 1 392.464 0.936 20 0 GCADMM CC(C)COCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824270849 608340254 /nfs/dbraw/zinc/34/02/54/608340254.db2.gz HWBZLHHMWRYHDL-UHFFFAOYSA-N -1 1 392.464 0.936 20 0 GCADMM CCN(C[C@H]1CCOC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825416700 608342627 /nfs/dbraw/zinc/34/26/27/608342627.db2.gz LJUZNZLZIZJDLJ-LLVKDONJSA-N -1 1 390.448 0.642 20 0 GCADMM CCN(C[C@H]1CCOC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825416700 608342629 /nfs/dbraw/zinc/34/26/29/608342629.db2.gz LJUZNZLZIZJDLJ-LLVKDONJSA-N -1 1 390.448 0.642 20 0 GCADMM CO[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826145217 608351550 /nfs/dbraw/zinc/35/15/50/608351550.db2.gz BNDDMTZNQWBQFZ-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM CO[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826145217 608351552 /nfs/dbraw/zinc/35/15/52/608351552.db2.gz BNDDMTZNQWBQFZ-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000824966471 608351789 /nfs/dbraw/zinc/35/17/89/608351789.db2.gz BOMJMWJAVHIPEM-SNVBAGLBSA-N -1 1 390.448 0.783 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000824966471 608351792 /nfs/dbraw/zinc/35/17/92/608351792.db2.gz BOMJMWJAVHIPEM-SNVBAGLBSA-N -1 1 390.448 0.783 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCOc2cccnc2)n1 ZINC000824148504 608352567 /nfs/dbraw/zinc/35/25/67/608352567.db2.gz XLUMVIXTEAEQNN-UHFFFAOYSA-N -1 1 399.415 0.347 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCOc2cccnc2)n1 ZINC000824148504 608352569 /nfs/dbraw/zinc/35/25/69/608352569.db2.gz XLUMVIXTEAEQNN-UHFFFAOYSA-N -1 1 399.415 0.347 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCc3nccn3C2)n1 ZINC000824148534 608352603 /nfs/dbraw/zinc/35/26/03/608352603.db2.gz YVJWXCKUNUTZIH-JTQLQIEISA-N -1 1 398.431 0.084 20 0 GCADMM CC(C)(C)C[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824086539 608352753 /nfs/dbraw/zinc/35/27/53/608352753.db2.gz NDFFPMBGHCQSIC-JTQLQIEISA-N -1 1 392.464 0.670 20 0 GCADMM CC(C)(C)C[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824086539 608352755 /nfs/dbraw/zinc/35/27/55/608352755.db2.gz NDFFPMBGHCQSIC-JTQLQIEISA-N -1 1 392.464 0.670 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCCOC(C)(C)C2)n1 ZINC000824808139 608353568 /nfs/dbraw/zinc/35/35/68/608353568.db2.gz PXZZTPZCYOHTHS-UHFFFAOYSA-N -1 1 390.448 0.784 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCCOC(C)(C)C2)n1 ZINC000824808139 608353571 /nfs/dbraw/zinc/35/35/71/608353571.db2.gz PXZZTPZCYOHTHS-UHFFFAOYSA-N -1 1 390.448 0.784 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@]2(C)CCOC2)n1 ZINC000824824903 608353645 /nfs/dbraw/zinc/35/36/45/608353645.db2.gz YGKGKKMIDGDSNP-MRXNPFEDSA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@]2(C)CCOC2)n1 ZINC000824824903 608353647 /nfs/dbraw/zinc/35/36/47/608353647.db2.gz YGKGKKMIDGDSNP-MRXNPFEDSA-N -1 1 376.421 0.300 20 0 GCADMM CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825061451 608353857 /nfs/dbraw/zinc/35/38/57/608353857.db2.gz XOOZKEFSMFIEOW-KOLCDFICSA-N -1 1 378.437 0.280 20 0 GCADMM CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825061451 608353858 /nfs/dbraw/zinc/35/38/58/608353858.db2.gz XOOZKEFSMFIEOW-KOLCDFICSA-N -1 1 378.437 0.280 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000824469739 608353986 /nfs/dbraw/zinc/35/39/86/608353986.db2.gz BWKFRCQTINJBOW-SECBINFHSA-N -1 1 386.420 0.368 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000824469739 608353988 /nfs/dbraw/zinc/35/39/88/608353988.db2.gz BWKFRCQTINJBOW-SECBINFHSA-N -1 1 386.420 0.368 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)n1 ZINC000824148562 608354046 /nfs/dbraw/zinc/35/40/46/608354046.db2.gz ZXSWEKPFAZTCLK-CMPLNLGQSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)n1 ZINC000824148562 608354048 /nfs/dbraw/zinc/35/40/48/608354048.db2.gz ZXSWEKPFAZTCLK-CMPLNLGQSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824191849 608354183 /nfs/dbraw/zinc/35/41/83/608354183.db2.gz HADCGVAWVABTIZ-INIZCTEOSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824191849 608354185 /nfs/dbraw/zinc/35/41/85/608354185.db2.gz HADCGVAWVABTIZ-INIZCTEOSA-N -1 1 378.437 0.280 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000824469743 608354210 /nfs/dbraw/zinc/35/42/10/608354210.db2.gz BWKFRCQTINJBOW-VIFPVBQESA-N -1 1 386.420 0.368 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000824469743 608354212 /nfs/dbraw/zinc/35/42/12/608354212.db2.gz BWKFRCQTINJBOW-VIFPVBQESA-N -1 1 386.420 0.368 20 0 GCADMM CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825051910 608354576 /nfs/dbraw/zinc/35/45/76/608354576.db2.gz UNVZFGCDEVAZGA-BTDLBPIBSA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825051910 608354577 /nfs/dbraw/zinc/35/45/77/608354577.db2.gz UNVZFGCDEVAZGA-BTDLBPIBSA-N -1 1 392.464 0.670 20 0 GCADMM COC[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826153131 608355667 /nfs/dbraw/zinc/35/56/67/608355667.db2.gz CJPDCXUPXHFTEP-SNVBAGLBSA-N -1 1 376.421 0.252 20 0 GCADMM COC[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826153131 608355669 /nfs/dbraw/zinc/35/56/69/608355669.db2.gz CJPDCXUPXHFTEP-SNVBAGLBSA-N -1 1 376.421 0.252 20 0 GCADMM CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825485153 608356491 /nfs/dbraw/zinc/35/64/91/608356491.db2.gz DDWLDSDZTJDWNG-VIFPVBQESA-N -1 1 392.420 0.072 20 0 GCADMM CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825485153 608356493 /nfs/dbraw/zinc/35/64/93/608356493.db2.gz DDWLDSDZTJDWNG-VIFPVBQESA-N -1 1 392.420 0.072 20 0 GCADMM CC[C@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825081989 608356549 /nfs/dbraw/zinc/35/65/49/608356549.db2.gz OUSZOUDXBOSOSP-GHMZBOCLSA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825081989 608356551 /nfs/dbraw/zinc/35/65/51/608356551.db2.gz OUSZOUDXBOSOSP-GHMZBOCLSA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@@H](CCO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825115155 608356747 /nfs/dbraw/zinc/35/67/47/608356747.db2.gz UVTVFNSTZSEFKM-JTQLQIEISA-N -1 1 378.437 0.282 20 0 GCADMM CC[C@@H](CCO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825115155 608356748 /nfs/dbraw/zinc/35/67/48/608356748.db2.gz UVTVFNSTZSEFKM-JTQLQIEISA-N -1 1 378.437 0.282 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)n1 ZINC000824148265 608357702 /nfs/dbraw/zinc/35/77/02/608357702.db2.gz QLJSQHITPBCULR-JTQLQIEISA-N -1 1 398.431 0.154 20 0 GCADMM C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824698728 608357764 /nfs/dbraw/zinc/35/77/64/608357764.db2.gz NSUQEMZHNIHUNU-QWRGUYRKSA-N -1 1 390.448 0.519 20 0 GCADMM C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824698728 608357766 /nfs/dbraw/zinc/35/77/66/608357766.db2.gz NSUQEMZHNIHUNU-QWRGUYRKSA-N -1 1 390.448 0.519 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCOC(C)(C)C2)n1 ZINC000824790552 608358126 /nfs/dbraw/zinc/35/81/26/608358126.db2.gz OJAVFTWDARQEQF-SNVBAGLBSA-N -1 1 390.448 0.831 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCOC(C)(C)C2)n1 ZINC000824790552 608358129 /nfs/dbraw/zinc/35/81/29/608358129.db2.gz OJAVFTWDARQEQF-SNVBAGLBSA-N -1 1 390.448 0.831 20 0 GCADMM C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824864597 608393645 /nfs/dbraw/zinc/39/36/45/608393645.db2.gz CTWXUDSPQOWQLN-NSHDSACASA-N -1 1 393.411 0.857 20 0 GCADMM C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824864597 608393646 /nfs/dbraw/zinc/39/36/46/608393646.db2.gz CTWXUDSPQOWQLN-NSHDSACASA-N -1 1 393.411 0.857 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1OC ZINC000826187148 608395365 /nfs/dbraw/zinc/39/53/65/608395365.db2.gz BYQJGBJLKPMKEB-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1OC ZINC000826187148 608395367 /nfs/dbraw/zinc/39/53/67/608395367.db2.gz BYQJGBJLKPMKEB-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)ccc1C ZINC000826177151 608400032 /nfs/dbraw/zinc/40/00/32/608400032.db2.gz UNVYTKCFEWDUST-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM COc1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)ccc1C ZINC000826177151 608400034 /nfs/dbraw/zinc/40/00/34/608400034.db2.gz UNVYTKCFEWDUST-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM CCCCCn1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(C)n1 ZINC000825282780 608443804 /nfs/dbraw/zinc/44/38/04/608443804.db2.gz ZYJQKVTVLHVTKZ-UHFFFAOYSA-N -1 1 387.448 0.571 20 0 GCADMM Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826365514 608446637 /nfs/dbraw/zinc/44/66/37/608446637.db2.gz QYMFNPAFALQNSV-GFCCVEGCSA-N -1 1 378.393 0.660 20 0 GCADMM CCN1CCOC[C@@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825465675 608454923 /nfs/dbraw/zinc/45/49/23/608454923.db2.gz PPZSLCDVQGIHCR-LLVKDONJSA-N -1 1 378.389 0.279 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccn1 ZINC000826269988 608473905 /nfs/dbraw/zinc/47/39/05/608473905.db2.gz GIMGXYARCQOLKT-LBPRGKRZSA-N -1 1 380.416 0.525 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccn1 ZINC000826269988 608473906 /nfs/dbraw/zinc/47/39/06/608473906.db2.gz GIMGXYARCQOLKT-LBPRGKRZSA-N -1 1 380.416 0.525 20 0 GCADMM CC[C@@]1(C)CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1=O ZINC000825164849 608485008 /nfs/dbraw/zinc/48/50/08/608485008.db2.gz KSVAEAQCKZYOFN-XIKOKIGWSA-N -1 1 399.459 0.300 20 0 GCADMM CC[C@@]1(C)CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1=O ZINC000825164849 608485009 /nfs/dbraw/zinc/48/50/09/608485009.db2.gz KSVAEAQCKZYOFN-XIKOKIGWSA-N -1 1 399.459 0.300 20 0 GCADMM COc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)n1 ZINC000826209676 608548957 /nfs/dbraw/zinc/54/89/57/608548957.db2.gz LTHLKCPTPWGJML-UHFFFAOYSA-N -1 1 386.420 0.981 20 0 GCADMM COc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)n1 ZINC000826209676 608548959 /nfs/dbraw/zinc/54/89/59/608548959.db2.gz LTHLKCPTPWGJML-UHFFFAOYSA-N -1 1 386.420 0.981 20 0 GCADMM Cc1ccn(C)c(=O)c1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826308946 608549924 /nfs/dbraw/zinc/54/99/24/608549924.db2.gz XOBCMMPJJGXWNG-UHFFFAOYSA-N -1 1 386.420 0.276 20 0 GCADMM Cc1ccn(C)c(=O)c1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826308946 608549926 /nfs/dbraw/zinc/54/99/26/608549926.db2.gz XOBCMMPJJGXWNG-UHFFFAOYSA-N -1 1 386.420 0.276 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000825923330 608555216 /nfs/dbraw/zinc/55/52/16/608555216.db2.gz HDUIETLPGOHLEQ-SNVBAGLBSA-N -1 1 389.464 0.210 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000825923330 608555217 /nfs/dbraw/zinc/55/52/17/608555217.db2.gz HDUIETLPGOHLEQ-SNVBAGLBSA-N -1 1 389.464 0.210 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CNC(=O)CC1CCCC1 ZINC000825930377 608556976 /nfs/dbraw/zinc/55/69/76/608556976.db2.gz VGKXNDACRQISSN-UHFFFAOYSA-N -1 1 389.464 0.260 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CNC(=O)CC1CCCC1 ZINC000825930377 608556977 /nfs/dbraw/zinc/55/69/77/608556977.db2.gz VGKXNDACRQISSN-UHFFFAOYSA-N -1 1 389.464 0.260 20 0 GCADMM Cc1[nH]nc2nc(C)cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)c12 ZINC000826257003 608558539 /nfs/dbraw/zinc/55/85/39/608558539.db2.gz JROVPZUSZXNUJJ-UHFFFAOYSA-N -1 1 395.431 0.765 20 0 GCADMM Cc1[nH]nc2nc(C)cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c12 ZINC000826257003 608558542 /nfs/dbraw/zinc/55/85/42/608558542.db2.gz JROVPZUSZXNUJJ-UHFFFAOYSA-N -1 1 395.431 0.765 20 0 GCADMM Cc1cccc(C)c1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826297121 608558668 /nfs/dbraw/zinc/55/86/68/608558668.db2.gz VZJQLSKANVOGDY-UHFFFAOYSA-N -1 1 397.443 0.819 20 0 GCADMM Cc1cccc(C)c1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826297121 608558670 /nfs/dbraw/zinc/55/86/70/608558670.db2.gz VZJQLSKANVOGDY-UHFFFAOYSA-N -1 1 397.443 0.819 20 0 GCADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826332945 608559708 /nfs/dbraw/zinc/55/97/08/608559708.db2.gz NYNFQEBUTMKRDN-SECBINFHSA-N -1 1 386.464 0.717 20 0 GCADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826332945 608559710 /nfs/dbraw/zinc/55/97/10/608559710.db2.gz NYNFQEBUTMKRDN-SECBINFHSA-N -1 1 386.464 0.717 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(F)cc2nccnc21 ZINC000825933878 608560256 /nfs/dbraw/zinc/56/02/56/608560256.db2.gz HVNGNMSCIXCQOQ-UHFFFAOYSA-N -1 1 396.390 0.959 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(F)cc2nccnc21 ZINC000825933878 608560258 /nfs/dbraw/zinc/56/02/58/608560258.db2.gz HVNGNMSCIXCQOQ-UHFFFAOYSA-N -1 1 396.390 0.959 20 0 GCADMM COC(=O)[C@H]1CCC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826134374 608560308 /nfs/dbraw/zinc/56/03/08/608560308.db2.gz WPWFYGNZGFWDJG-QWRGUYRKSA-N -1 1 390.448 0.542 20 0 GCADMM COC(=O)[C@H]1CCC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826134374 608560310 /nfs/dbraw/zinc/56/03/10/608560310.db2.gz WPWFYGNZGFWDJG-QWRGUYRKSA-N -1 1 390.448 0.542 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cn(C)nc1C(C)(C)C ZINC000825934299 608560387 /nfs/dbraw/zinc/56/03/87/608560387.db2.gz LYZNXQKRALAOEL-UHFFFAOYSA-N -1 1 386.464 0.908 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cn(C)nc1C(C)(C)C ZINC000825934299 608560390 /nfs/dbraw/zinc/56/03/90/608560390.db2.gz LYZNXQKRALAOEL-UHFFFAOYSA-N -1 1 386.464 0.908 20 0 GCADMM COc1cc(C)cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1O ZINC000826177986 608561223 /nfs/dbraw/zinc/56/12/23/608561223.db2.gz DZIRYXMXIBTFMN-UHFFFAOYSA-N -1 1 386.416 0.899 20 0 GCADMM COc1cc(C)cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1O ZINC000826177986 608561224 /nfs/dbraw/zinc/56/12/24/608561224.db2.gz DZIRYXMXIBTFMN-UHFFFAOYSA-N -1 1 386.416 0.899 20 0 GCADMM Cn1cnc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)n1 ZINC000826364845 608562455 /nfs/dbraw/zinc/56/24/55/608562455.db2.gz NVNXUJSFPHVPLE-UHFFFAOYSA-N -1 1 388.335 0.493 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H]1O ZINC000824991378 608563069 /nfs/dbraw/zinc/56/30/69/608563069.db2.gz AGEADLYUZSFHCS-XVKPBYJWSA-N -1 1 377.348 0.887 20 0 GCADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CC[C@@H](CO)C1 ZINC000826494864 608567842 /nfs/dbraw/zinc/56/78/42/608567842.db2.gz SJDLROXNYBZNLL-MRVPVSSYSA-N -1 1 377.348 0.888 20 0 GCADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)[nH]c(=O)n1 ZINC000826269372 608572024 /nfs/dbraw/zinc/57/20/24/608572024.db2.gz JRBDYLDOTABELX-UHFFFAOYSA-N -1 1 394.399 0.902 20 0 GCADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)[nH]c(=O)n1 ZINC000826269372 608572026 /nfs/dbraw/zinc/57/20/26/608572026.db2.gz JRBDYLDOTABELX-UHFFFAOYSA-N -1 1 394.399 0.902 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCNC(=O)N(C)C ZINC000826341158 608591848 /nfs/dbraw/zinc/59/18/48/608591848.db2.gz YKNNXUCYPYZTKS-UHFFFAOYSA-N -1 1 386.416 0.902 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCNC(=O)N(C)C ZINC000826341158 608591850 /nfs/dbraw/zinc/59/18/50/608591850.db2.gz YKNNXUCYPYZTKS-UHFFFAOYSA-N -1 1 386.416 0.902 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(OCc2ccccc2F)CC1 ZINC000826425154 608606800 /nfs/dbraw/zinc/60/68/00/608606800.db2.gz RRTYFXYYPYFOQP-UHFFFAOYSA-N -1 1 386.391 0.805 20 0 GCADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)NC[C@@H](C)O ZINC000826272022 608620916 /nfs/dbraw/zinc/62/09/16/608620916.db2.gz RHICUIAPXUYTIK-LLVKDONJSA-N -1 1 397.395 0.798 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000825499856 608673974 /nfs/dbraw/zinc/67/39/74/608673974.db2.gz VUTRWHRCASZJSO-GFCCVEGCSA-N -1 1 376.417 0.693 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000825499856 608673977 /nfs/dbraw/zinc/67/39/77/608673977.db2.gz VUTRWHRCASZJSO-GFCCVEGCSA-N -1 1 376.417 0.693 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000826483774 608745254 /nfs/dbraw/zinc/74/52/54/608745254.db2.gz ZMBQOAMYMNVHKT-CYBMUJFWSA-N -1 1 394.391 0.957 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000826483774 608745256 /nfs/dbraw/zinc/74/52/56/608745256.db2.gz ZMBQOAMYMNVHKT-CYBMUJFWSA-N -1 1 394.391 0.957 20 0 GCADMM CC(C)OCCS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000824315502 608746426 /nfs/dbraw/zinc/74/64/26/608746426.db2.gz PVBKFLUKZTUWQH-UHFFFAOYSA-N -1 1 384.462 0.332 20 0 GCADMM CC(C)OCCS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000824315502 608746428 /nfs/dbraw/zinc/74/64/28/608746428.db2.gz PVBKFLUKZTUWQH-UHFFFAOYSA-N -1 1 384.462 0.332 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCO1 ZINC000824892324 608761933 /nfs/dbraw/zinc/76/19/33/608761933.db2.gz GTDVEMRMAKYGKY-YNEHKIRRSA-N -1 1 387.448 0.444 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCO1 ZINC000824892324 608761935 /nfs/dbraw/zinc/76/19/35/608761935.db2.gz GTDVEMRMAKYGKY-YNEHKIRRSA-N -1 1 387.448 0.444 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(C(N)=O)cs1 ZINC000825001362 608840037 /nfs/dbraw/zinc/84/00/37/608840037.db2.gz ZVXLZBBBBPUQFV-JTQLQIEISA-N -1 1 385.457 0.528 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(C(N)=O)cs1 ZINC000825001362 608840039 /nfs/dbraw/zinc/84/00/39/608840039.db2.gz ZVXLZBBBBPUQFV-JTQLQIEISA-N -1 1 385.457 0.528 20 0 GCADMM O=S(=O)(Cc1ncn(-c2ccccc2)n1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486606 608886734 /nfs/dbraw/zinc/88/67/34/608886734.db2.gz IUDKUWMSPQONLC-UHFFFAOYSA-N -1 1 382.409 0.957 20 0 GCADMM O=S(=O)(Cc1ncn(-c2ccccc2)n1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486606 608886736 /nfs/dbraw/zinc/88/67/36/608886736.db2.gz IUDKUWMSPQONLC-UHFFFAOYSA-N -1 1 382.409 0.957 20 0 GCADMM CCS(=O)(=O)N1CCc2cc(C(=O)Cn3ccnc3-c3nnn[n-]3)ccc21 ZINC000825663242 608891784 /nfs/dbraw/zinc/89/17/84/608891784.db2.gz KHYKTSQTCWIEKB-UHFFFAOYSA-N -1 1 387.425 0.658 20 0 GCADMM CCS(=O)(=O)N1CCc2cc(C(=O)Cn3ccnc3-c3nn[n-]n3)ccc21 ZINC000825663242 608891785 /nfs/dbraw/zinc/89/17/85/608891785.db2.gz KHYKTSQTCWIEKB-UHFFFAOYSA-N -1 1 387.425 0.658 20 0 GCADMM Cc1ccccc1C(=O)NC1CCN(C(=O)Cn2ccnc2-c2nnn[n-]2)CC1 ZINC000826305630 608892770 /nfs/dbraw/zinc/89/27/70/608892770.db2.gz DMNRTEHBYBNVDJ-UHFFFAOYSA-N -1 1 394.439 0.793 20 0 GCADMM Cc1ccccc1C(=O)NC1CCN(C(=O)Cn2ccnc2-c2nn[n-]n2)CC1 ZINC000826305630 608892775 /nfs/dbraw/zinc/89/27/75/608892775.db2.gz DMNRTEHBYBNVDJ-UHFFFAOYSA-N -1 1 394.439 0.793 20 0 GCADMM CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826224321 608894549 /nfs/dbraw/zinc/89/45/49/608894549.db2.gz ZSEMQOUDDQKLLO-UHFFFAOYSA-N -1 1 381.805 0.759 20 0 GCADMM CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826224321 608894554 /nfs/dbraw/zinc/89/45/54/608894554.db2.gz ZSEMQOUDDQKLLO-UHFFFAOYSA-N -1 1 381.805 0.759 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC[C@@H]2CCCCO2)n1 ZINC000824148045 609138770 /nfs/dbraw/zinc/13/87/70/609138770.db2.gz LEAZZJLUEUHJBL-NSHDSACASA-N -1 1 390.448 0.832 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC[C@@H]2CCCCO2)n1 ZINC000824148045 609138771 /nfs/dbraw/zinc/13/87/71/609138771.db2.gz LEAZZJLUEUHJBL-NSHDSACASA-N -1 1 390.448 0.832 20 0 GCADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C(N)=O ZINC000826270370 609158333 /nfs/dbraw/zinc/15/83/33/609158333.db2.gz XIZVQOMBUMDKBU-UHFFFAOYSA-N -1 1 398.431 0.676 20 0 GCADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C(N)=O ZINC000826270370 609158334 /nfs/dbraw/zinc/15/83/34/609158334.db2.gz XIZVQOMBUMDKBU-UHFFFAOYSA-N -1 1 398.431 0.676 20 0 GCADMM CC1CCC2(CC1)OC[C@H](CNS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)O2 ZINC000824915153 609181841 /nfs/dbraw/zinc/18/18/41/609181841.db2.gz BOKCXBGTLDMZKB-BGMSHATGSA-N -1 1 394.457 0.862 20 0 GCADMM CC1CCC2(CC1)OC[C@H](CNS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)O2 ZINC000824915153 609181843 /nfs/dbraw/zinc/18/18/43/609181843.db2.gz BOKCXBGTLDMZKB-BGMSHATGSA-N -1 1 394.457 0.862 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2nccn21 ZINC000824999352 609235718 /nfs/dbraw/zinc/23/57/18/609235718.db2.gz FURXMQSUHFKPAY-GFCCVEGCSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2nccn21 ZINC000824999352 609235719 /nfs/dbraw/zinc/23/57/19/609235719.db2.gz FURXMQSUHFKPAY-GFCCVEGCSA-N -1 1 390.411 0.655 20 0 GCADMM COCCn1cc2c(n1)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)CCC2 ZINC000826164005 609266929 /nfs/dbraw/zinc/26/69/29/609266929.db2.gz VDZZOEFCTCOCDW-GFCCVEGCSA-N -1 1 386.416 0.742 20 0 GCADMM COCCn1cc2c(n1)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)CCC2 ZINC000826164005 609266930 /nfs/dbraw/zinc/26/69/30/609266930.db2.gz VDZZOEFCTCOCDW-GFCCVEGCSA-N -1 1 386.416 0.742 20 0 GCADMM CCOCCOC1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000825600105 609267166 /nfs/dbraw/zinc/26/71/66/609267166.db2.gz ZWANKBKXBMFCCY-UHFFFAOYSA-N -1 1 380.430 0.567 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000826458267 609289838 /nfs/dbraw/zinc/28/98/38/609289838.db2.gz JUXDLEYRSJGKAV-VIFPVBQESA-N -1 1 391.388 0.565 20 0 GCADMM CCNC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000825471164 609296520 /nfs/dbraw/zinc/29/65/20/609296520.db2.gz OQFKXCOXUYIPLD-UHFFFAOYSA-N -1 1 392.445 0.177 20 0 GCADMM CN(C)c1ncccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825929415 609299199 /nfs/dbraw/zinc/29/91/99/609299199.db2.gz FMCDTUNRTOQMMJ-UHFFFAOYSA-N -1 1 399.463 0.407 20 0 GCADMM Cc1nc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000826326359 609299766 /nfs/dbraw/zinc/29/97/66/609299766.db2.gz MJRHJOUVVYQYKK-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM Cc1nc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000826326359 609299767 /nfs/dbraw/zinc/29/97/67/609299767.db2.gz MJRHJOUVVYQYKK-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM COc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826192347 609299788 /nfs/dbraw/zinc/29/97/88/609299788.db2.gz KCHONSRTFCLTKW-UHFFFAOYSA-N -1 1 399.459 0.997 20 0 GCADMM COc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826192347 609299789 /nfs/dbraw/zinc/29/97/89/609299789.db2.gz KCHONSRTFCLTKW-UHFFFAOYSA-N -1 1 399.459 0.997 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1COc2ccccc21 ZINC000825929268 609300838 /nfs/dbraw/zinc/30/08/38/609300838.db2.gz DYLMBESUNUPSDJ-LBPRGKRZSA-N -1 1 383.416 0.880 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1COc2ccccc21 ZINC000825929268 609300841 /nfs/dbraw/zinc/30/08/41/609300841.db2.gz DYLMBESUNUPSDJ-LBPRGKRZSA-N -1 1 383.416 0.880 20 0 GCADMM Cc1csc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826320788 609301294 /nfs/dbraw/zinc/30/12/94/609301294.db2.gz DNXIEYKTECBZFV-UHFFFAOYSA-N -1 1 390.477 0.754 20 0 GCADMM Cc1csc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826320788 609301296 /nfs/dbraw/zinc/30/12/96/609301296.db2.gz DNXIEYKTECBZFV-UHFFFAOYSA-N -1 1 390.477 0.754 20 0 GCADMM C[C@@H](O)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824707390 609301872 /nfs/dbraw/zinc/30/18/72/609301872.db2.gz RJMCWPKTYQMDTR-LLVKDONJSA-N -1 1 399.459 1.000 20 0 GCADMM C[C@@H](O)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824707390 609301874 /nfs/dbraw/zinc/30/18/74/609301874.db2.gz RJMCWPKTYQMDTR-LLVKDONJSA-N -1 1 399.459 1.000 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC[S@](=O)C(C)(C)C ZINC000825929548 609302999 /nfs/dbraw/zinc/30/29/99/609302999.db2.gz HRUBAWXGBCNXGU-MHZLTWQESA-N -1 1 397.509 0.293 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC[S@](=O)C(C)(C)C ZINC000825929548 609303001 /nfs/dbraw/zinc/30/30/01/609303001.db2.gz HRUBAWXGBCNXGU-MHZLTWQESA-N -1 1 397.509 0.293 20 0 GCADMM COC1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000826145459 609304632 /nfs/dbraw/zinc/30/46/32/609304632.db2.gz GXQFEARNOCLCDP-UHFFFAOYSA-N -1 1 391.480 0.951 20 0 GCADMM COC1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000826145459 609304633 /nfs/dbraw/zinc/30/46/33/609304633.db2.gz GXQFEARNOCLCDP-UHFFFAOYSA-N -1 1 391.480 0.951 20 0 GCADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCOCC1 ZINC000824489640 609309234 /nfs/dbraw/zinc/30/92/34/609309234.db2.gz MHQCXCOCEGHAPI-SNVBAGLBSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCOCC1 ZINC000824489640 609309236 /nfs/dbraw/zinc/30/92/36/609309236.db2.gz MHQCXCOCEGHAPI-SNVBAGLBSA-N -1 1 377.453 0.561 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc2c(c1)COC2 ZINC000825929212 609309807 /nfs/dbraw/zinc/30/98/07/609309807.db2.gz CVNQIMFKEBUEQZ-UHFFFAOYSA-N -1 1 397.443 0.976 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc2c(c1)COC2 ZINC000825929212 609309809 /nfs/dbraw/zinc/30/98/09/609309809.db2.gz CVNQIMFKEBUEQZ-UHFFFAOYSA-N -1 1 397.443 0.976 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000825930732 609309884 /nfs/dbraw/zinc/30/98/84/609309884.db2.gz XNQNIIOMURQZLF-SNVBAGLBSA-N -1 1 377.453 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000825930732 609309886 /nfs/dbraw/zinc/30/98/86/609309886.db2.gz XNQNIIOMURQZLF-SNVBAGLBSA-N -1 1 377.453 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC[C@H]1CCCCO1 ZINC000825930381 609309898 /nfs/dbraw/zinc/30/98/98/609309898.db2.gz VJZCEWAXJLEEPH-LLVKDONJSA-N -1 1 377.453 0.705 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC[C@H]1CCCCO1 ZINC000825930381 609309900 /nfs/dbraw/zinc/30/99/00/609309900.db2.gz VJZCEWAXJLEEPH-LLVKDONJSA-N -1 1 377.453 0.705 20 0 GCADMM C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824650983 609312491 /nfs/dbraw/zinc/31/24/91/609312491.db2.gz WQKHTXBSOYVWPF-MRVPVSSYSA-N -1 1 394.392 0.068 20 0 GCADMM CN(C)C(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825839516 609318287 /nfs/dbraw/zinc/31/82/87/609318287.db2.gz IFNBDSBCRGZOSV-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CN(C)C(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825839516 609318288 /nfs/dbraw/zinc/31/82/88/609318288.db2.gz IFNBDSBCRGZOSV-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825841636 609318480 /nfs/dbraw/zinc/31/84/80/609318480.db2.gz YJNRSLRCKINRGB-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CCC(CC)[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000825106824 609322236 /nfs/dbraw/zinc/32/22/36/609322236.db2.gz JGHXIRFVUFIAHG-NEPJUHHUSA-N -1 1 377.449 0.660 20 0 GCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H]1F ZINC000824949936 609351281 /nfs/dbraw/zinc/35/12/81/609351281.db2.gz ZFBQLIHJOLLIRJ-KOLCDFICSA-N -1 1 378.412 0.963 20 0 GCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824949936 609351283 /nfs/dbraw/zinc/35/12/83/609351283.db2.gz ZFBQLIHJOLLIRJ-KOLCDFICSA-N -1 1 378.412 0.963 20 0 GCADMM C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H]1F ZINC000824949825 609351749 /nfs/dbraw/zinc/35/17/49/609351749.db2.gz ZFBQLIHJOLLIRJ-GXSJLCMTSA-N -1 1 378.412 0.963 20 0 GCADMM C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H]1F ZINC000824949825 609351753 /nfs/dbraw/zinc/35/17/53/609351753.db2.gz ZFBQLIHJOLLIRJ-GXSJLCMTSA-N -1 1 378.412 0.963 20 0 GCADMM COC[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826148462 609353496 /nfs/dbraw/zinc/35/34/96/609353496.db2.gz JBDXMTYMISDBNI-VIFPVBQESA-N -1 1 388.363 0.281 20 0 GCADMM C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824899442 609353501 /nfs/dbraw/zinc/35/35/01/609353501.db2.gz JWKANLZDMDYVEV-ZJUUUORDSA-N -1 1 384.375 0.902 20 0 GCADMM CN1CCC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1=O ZINC000826029154 609356005 /nfs/dbraw/zinc/35/60/05/609356005.db2.gz POPGLWSHMVTDGP-NSHDSACASA-N -1 1 399.390 0.934 20 0 GCADMM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCN(C)C1=O ZINC000826021646 609356573 /nfs/dbraw/zinc/35/65/73/609356573.db2.gz BLUMCPRLWBPRRV-GFCCVEGCSA-N -1 1 399.390 0.886 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC(=O)NCC1CC1 ZINC000826328359 609357633 /nfs/dbraw/zinc/35/76/33/609357633.db2.gz OOVWJKKBPJPXNV-UHFFFAOYSA-N -1 1 397.443 0.101 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC(=O)NCC1CC1 ZINC000826328359 609357635 /nfs/dbraw/zinc/35/76/35/609357635.db2.gz OOVWJKKBPJPXNV-UHFFFAOYSA-N -1 1 397.443 0.101 20 0 GCADMM CCNC(=O)[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825465175 609358898 /nfs/dbraw/zinc/35/88/98/609358898.db2.gz IYMPWRJLDWNAMM-VIFPVBQESA-N -1 1 387.379 0.838 20 0 GCADMM CSCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826229046 609366885 /nfs/dbraw/zinc/36/68/85/609366885.db2.gz MZIYTFAYUFHYSZ-UHFFFAOYSA-N -1 1 390.404 0.609 20 0 GCADMM O=C(Nc1cn[nH]c1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826458982 609369668 /nfs/dbraw/zinc/36/96/68/609369668.db2.gz PIZVEPXHGRHFBN-UHFFFAOYSA-N -1 1 382.319 0.492 20 0 GCADMM O=C(Nc1ccncc1I)c1ccc(-c2nn[n-]n2)nc1 ZINC000826458702 609405859 /nfs/dbraw/zinc/40/58/59/609405859.db2.gz BNNQFVDAAQTETG-UHFFFAOYSA-N -1 1 393.148 0.936 20 0 GCADMM O=C(Nc1ccncc1I)c1ccc(-c2nnn[n-]2)nc1 ZINC000826458702 609405857 /nfs/dbraw/zinc/40/58/57/609405857.db2.gz BNNQFVDAAQTETG-UHFFFAOYSA-N -1 1 393.148 0.936 20 0 GCADMM COc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1-n1cnnn1 ZINC000826187516 609417074 /nfs/dbraw/zinc/41/70/74/609417074.db2.gz UEPQSNVVGQUYMZ-UHFFFAOYSA-N -1 1 379.340 0.809 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)S(N)(=O)=O)c1-c1nn[n-]n1 ZINC000826231752 609418520 /nfs/dbraw/zinc/41/85/20/609418520.db2.gz YGQQRQDJOBACOF-ZETCQYMHSA-N -1 1 397.486 0.268 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2CC(=O)c2ccccc2)n(C)c1=O ZINC000826355665 609430123 /nfs/dbraw/zinc/43/01/23/609430123.db2.gz IYRBKXBVKZYEHA-CYBMUJFWSA-N -1 1 395.423 0.506 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2CC(=O)c2ccccc2)n(C)c1=O ZINC000826355666 609430300 /nfs/dbraw/zinc/43/03/00/609430300.db2.gz IYRBKXBVKZYEHA-ZDUSSCGKSA-N -1 1 395.423 0.506 20 0 GCADMM COCc1nc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)no1 ZINC000826165703 609440595 /nfs/dbraw/zinc/44/05/95/609440595.db2.gz GEAXOUVPIOBISS-UHFFFAOYSA-N -1 1 389.372 0.790 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826495142 609447757 /nfs/dbraw/zinc/44/77/57/609447757.db2.gz DQGCFUUIKJELKS-LLVKDONJSA-N -1 1 392.420 0.698 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(CN3CCOCC3)n2)c1-c1nnn[n-]1 ZINC000826348780 609469539 /nfs/dbraw/zinc/46/95/39/609469539.db2.gz DQKCVUHWBIFVCG-UHFFFAOYSA-N -1 1 384.400 0.572 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(CN3CCOCC3)n2)c1-c1nn[n-]n1 ZINC000826348780 609469541 /nfs/dbraw/zinc/46/95/41/609469541.db2.gz DQKCVUHWBIFVCG-UHFFFAOYSA-N -1 1 384.400 0.572 20 0 GCADMM Cc1nnc2n1C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000826337513 609497888 /nfs/dbraw/zinc/49/78/88/609497888.db2.gz RIABIRBJIYLZRX-SECBINFHSA-N -1 1 378.393 0.199 20 0 GCADMM Cc1nnc2n1C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000826337513 609497891 /nfs/dbraw/zinc/49/78/91/609497891.db2.gz RIABIRBJIYLZRX-SECBINFHSA-N -1 1 378.393 0.199 20 0 GCADMM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCO2)no1 ZINC000826325475 609497991 /nfs/dbraw/zinc/49/79/91/609497991.db2.gz YWRCNGRHSOTFEW-NSHDSACASA-N -1 1 395.376 0.459 20 0 GCADMM CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000824364390 609499030 /nfs/dbraw/zinc/49/90/30/609499030.db2.gz DQRJZSYYONZCSM-SNVBAGLBSA-N -1 1 389.445 0.270 20 0 GCADMM CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000824364390 609499032 /nfs/dbraw/zinc/49/90/32/609499032.db2.gz DQRJZSYYONZCSM-SNVBAGLBSA-N -1 1 389.445 0.270 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cncc(O)c1 ZINC000824999207 609500820 /nfs/dbraw/zinc/50/08/20/609500820.db2.gz DWAHGLGPDDLBAZ-JDGPPOGSSA-N -1 1 393.411 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/nfs/dbraw/zinc/52/06/78/1201520678.db2.gz BUNFKAMKUDOTSI-LSDHHAIUSA-N -1 1 387.444 0.624 20 0 GCADMM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000732091157 1201521107 /nfs/dbraw/zinc/52/11/07/1201521107.db2.gz SXXVBPACVWLVFZ-CYBMUJFWSA-N -1 1 394.457 0.085 20 0 GCADMM CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091386 1201521407 /nfs/dbraw/zinc/52/14/07/1201521407.db2.gz BUNFKAMKUDOTSI-CABCVRRESA-N -1 1 387.444 0.624 20 0 GCADMM CC(=O)N[C@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1c(F)cccc1F ZINC000732090257 1201521416 /nfs/dbraw/zinc/52/14/16/1201521416.db2.gz RGBMJBKVJPWNHU-OLZOCXBDSA-N -1 1 380.355 0.645 20 0 GCADMM Cc1c(C(=O)NCc2nn[n-]n2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000732158029 1201524058 /nfs/dbraw/zinc/52/40/58/1201524058.db2.gz QAYRMZVNSWKERE-UHFFFAOYSA-N -1 1 391.436 0.602 20 0 GCADMM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000733143903 1201575577 /nfs/dbraw/zinc/57/55/77/1201575577.db2.gz FRXCUJVETWLDFP-MRXNPFEDSA-N -1 1 386.452 0.523 20 0 GCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000733130700 1201576386 /nfs/dbraw/zinc/57/63/86/1201576386.db2.gz KJLYLVNFNJQDTN-UHFFFAOYSA-N -1 1 385.449 0.885 20 0 GCADMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1 ZINC000733154318 1201578409 /nfs/dbraw/zinc/57/84/09/1201578409.db2.gz INRYMZKCFCNWBM-SFHVURJKSA-N -1 1 380.445 0.736 20 0 GCADMM COC(=O)c1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)c(OC(F)F)c1 ZINC000733155645 1201578585 /nfs/dbraw/zinc/57/85/85/1201578585.db2.gz QQVOQEHTRPHAAU-UHFFFAOYSA-N -1 1 383.307 0.953 20 0 GCADMM CCN=c1nc2[n-]nc(SCC(=O)NCc3cc(C)[nH]n3)n2c(NCC)n1 ZINC000733285802 1201582645 /nfs/dbraw/zinc/58/26/45/1201582645.db2.gz JRBJBKYPGZMJOE-UHFFFAOYSA-N -1 1 390.477 0.245 20 0 GCADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCN1C(=O)CNC1=O ZINC000733459562 1201590041 /nfs/dbraw/zinc/59/00/41/1201590041.db2.gz TZCIDVIRDGYDRS-UHFFFAOYSA-N -1 1 383.426 0.937 20 0 GCADMM O=C(COC(=O)CN1CCC(=O)NC1=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000733562420 1201596331 /nfs/dbraw/zinc/59/63/31/1201596331.db2.gz UIXYJPPZDZDQIC-UHFFFAOYSA-N -1 1 399.306 0.030 20 0 GCADMM COc1ccccc1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1noc(C)n1 ZINC000733781907 1201606800 /nfs/dbraw/zinc/60/68/00/1201606800.db2.gz LWRPHNNHWRYIEG-HNNXBMFYSA-N -1 1 385.380 0.533 20 0 GCADMM COc1ccccc1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1noc(C)n1 ZINC000733781908 1201607220 /nfs/dbraw/zinc/60/72/20/1201607220.db2.gz LWRPHNNHWRYIEG-OAHLLOKOSA-N -1 1 385.380 0.533 20 0 GCADMM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000733984934 1201635994 /nfs/dbraw/zinc/63/59/94/1201635994.db2.gz BQRSZJPVHDHXTR-SFHVURJKSA-N -1 1 382.461 0.982 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001085244374 1201647005 /nfs/dbraw/zinc/64/70/05/1201647005.db2.gz AAHXMJIQFGGVLP-IQIPOGNMSA-N -1 1 393.366 0.374 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCn2cnc3ccccc3c2=O)o1 ZINC000735343142 1201686922 /nfs/dbraw/zinc/68/69/22/1201686922.db2.gz OZEHTZYXYPJFIC-UHFFFAOYSA-N -1 1 377.378 0.755 20 0 GCADMM CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C)c1nn[n-]n1 ZINC000736431674 1201714674 /nfs/dbraw/zinc/71/46/74/1201714674.db2.gz QKZOSFGCXAYTTB-GFCCVEGCSA-N -1 1 383.478 0.840 20 0 GCADMM C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000737268921 1201726855 /nfs/dbraw/zinc/72/68/55/1201726855.db2.gz VZWXYILFXQBNDW-AOOOYVTPSA-N -1 1 377.380 0.207 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccccc1)CN1CC[NH+](C)CC1 ZINC000737669290 1201729743 /nfs/dbraw/zinc/72/97/43/1201729743.db2.gz PVSNZAKUJHHMGO-QAPCUYQASA-N -1 1 387.484 0.706 20 0 GCADMM CCCS(=O)(=O)Nc1cccc(NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000737924179 1201731375 /nfs/dbraw/zinc/73/13/75/1201731375.db2.gz GRUBYGFVXSPRKB-UHFFFAOYSA-N -1 1 380.426 0.717 20 0 GCADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000739758994 1201742924 /nfs/dbraw/zinc/74/29/24/1201742924.db2.gz NXUYNBHPTBCYMQ-ZDUSSCGKSA-N -1 1 376.800 0.502 20 0 GCADMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740152445 1201744796 /nfs/dbraw/zinc/74/47/96/1201744796.db2.gz IFVJONUKZNEBAM-GFCCVEGCSA-N -1 1 395.799 0.201 20 0 GCADMM Cc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1S(=O)(=O)NC1CC1 ZINC000740850392 1201751116 /nfs/dbraw/zinc/75/11/16/1201751116.db2.gz HPCLDOQHHRLNQX-UHFFFAOYSA-N -1 1 392.437 0.315 20 0 GCADMM C[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740830999 1201751388 /nfs/dbraw/zinc/75/13/88/1201751388.db2.gz BEWFKDLAGOTQLU-QWHCGFSZSA-N -1 1 380.445 0.688 20 0 GCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3C2)o1 ZINC000741144954 1201758786 /nfs/dbraw/zinc/75/87/86/1201758786.db2.gz HKWGRNDKILFCIV-LLVKDONJSA-N -1 1 393.421 0.024 20 0 GCADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741234499 1201766922 /nfs/dbraw/zinc/76/69/22/1201766922.db2.gz OBHFGIGPCYMJBX-DOTOQJQBSA-N -1 1 386.452 0.332 20 0 GCADMM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)cc2=O)n1 ZINC000741747173 1201784236 /nfs/dbraw/zinc/78/42/36/1201784236.db2.gz NISLRLMVUHFIGX-GASCZTMLSA-N -1 1 388.472 0.802 20 0 GCADMM COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1F ZINC000742240234 1201793001 /nfs/dbraw/zinc/79/30/01/1201793001.db2.gz LQSCEOPCCXUPBR-UHFFFAOYSA-N -1 1 399.400 0.463 20 0 GCADMM O=C(CN1CCN(c2ccccn2)CC1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000743316942 1201816039 /nfs/dbraw/zinc/81/60/39/1201816039.db2.gz KXAQRRZPMGMLKU-GOSISDBHSA-N -1 1 378.440 0.623 20 0 GCADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)c1 ZINC000744850509 1201856382 /nfs/dbraw/zinc/85/63/82/1201856382.db2.gz MHUICIPTSAXZJD-UHFFFAOYSA-N -1 1 399.403 0.883 20 0 GCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cn(Cc3ccccn3)nn2)cc1 ZINC000745578373 1201882217 /nfs/dbraw/zinc/88/22/17/1201882217.db2.gz UFNHFZIKYUFOQE-UHFFFAOYSA-N -1 1 395.375 0.843 20 0 GCADMM CC(C)Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)n(C)n1 ZINC000746187869 1201903182 /nfs/dbraw/zinc/90/31/82/1201903182.db2.gz WHMSSTCBQCSSDQ-UHFFFAOYSA-N -1 1 383.430 0.228 20 0 GCADMM Cc1ccc(NC(=O)N2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)cc1 ZINC000746305774 1201906137 /nfs/dbraw/zinc/90/61/37/1201906137.db2.gz ALXYHDOXWFQXSG-UHFFFAOYSA-N -1 1 385.424 0.611 20 0 GCADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000766556974 1201929411 /nfs/dbraw/zinc/92/94/11/1201929411.db2.gz OGDDCAXMNNVJJL-GFCCVEGCSA-N -1 1 384.389 0.539 20 0 GCADMM CN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)C1=O ZINC001169850691 1201957956 /nfs/dbraw/zinc/95/79/56/1201957956.db2.gz CSIKXMOEVGJJMW-UHFFFAOYSA-N -1 1 394.815 0.110 20 0 GCADMM CCOc1cc(NC2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)ncn1 ZINC000767207654 1201967995 /nfs/dbraw/zinc/96/79/95/1201967995.db2.gz XWSSBBJADNQFGT-UHFFFAOYSA-N -1 1 388.428 0.219 20 0 GCADMM O=C(CCC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000768033711 1201997016 /nfs/dbraw/zinc/99/70/16/1201997016.db2.gz MTCFDTZOQJCTHK-HNNXBMFYSA-N -1 1 384.396 0.647 20 0 GCADMM CCN1CCOC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000769078984 1202045481 /nfs/dbraw/zinc/04/54/81/1202045481.db2.gz YUUDDPCCQPOYBC-ZDUSSCGKSA-N -1 1 386.351 0.808 20 0 GCADMM COc1cc(C)c(S(=O)(=O)NNc2nc(=O)c3cnn(C)c3[n-]2)c(C)c1 ZINC000769832062 1202075083 /nfs/dbraw/zinc/07/50/83/1202075083.db2.gz KSVVUIFLGMIRPS-UHFFFAOYSA-N -1 1 378.414 1.000 20 0 GCADMM CC(C)CCNS(=O)(=O)c1ccc(NC(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000770621549 1202106094 /nfs/dbraw/zinc/10/60/94/1202106094.db2.gz KCJKGSSRIZZMHC-UHFFFAOYSA-N -1 1 383.430 0.599 20 0 GCADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@@H](O)c1ccc(F)cc1 ZINC000771675904 1202156193 /nfs/dbraw/zinc/15/61/93/1202156193.db2.gz ZPARHGTUKRNSJU-BJOHPYRUSA-N -1 1 399.400 0.034 20 0 GCADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@@H](O)c1ccc(F)cc1 ZINC000771675909 1202156199 /nfs/dbraw/zinc/15/61/99/1202156199.db2.gz ZPARHGTUKRNSJU-RFAUZJTJSA-N -1 1 399.400 0.034 20 0 GCADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@H](O)c1cccc(F)c1 ZINC000771733842 1202156839 /nfs/dbraw/zinc/15/68/39/1202156839.db2.gz IRUBIPSALSFDSZ-VFZGTOFNSA-N -1 1 399.400 0.034 20 0 GCADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000772196139 1202176965 /nfs/dbraw/zinc/17/69/65/1202176965.db2.gz QKQNNUUISHIEQD-QWHCGFSZSA-N -1 1 380.445 0.831 20 0 GCADMM O=C([C@H](O)[C@H](O)c1nc2ccccc2s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000787902325 1205409046 /nfs/dbraw/zinc/40/90/46/1205409046.db2.gz MJYBEOGWJXYGSD-ZMLRMANQSA-N -1 1 392.466 0.520 20 0 GCADMM Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCSC[C@H]2c2nn[n-]n2)no1 ZINC000788151070 1205415475 /nfs/dbraw/zinc/41/54/75/1205415475.db2.gz YZVSFNVBAUPBTH-ZJUUUORDSA-N -1 1 397.486 0.873 20 0 GCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000788643673 1205426615 /nfs/dbraw/zinc/42/66/15/1205426615.db2.gz WENUPQCDJIPQEV-MRVPVSSYSA-N -1 1 382.398 0.759 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790050529 1205455815 /nfs/dbraw/zinc/45/58/15/1205455815.db2.gz DVWXHAGVIUEPOC-MRVPVSSYSA-N -1 1 398.828 0.845 20 0 GCADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000746944323 1205470448 /nfs/dbraw/zinc/47/04/48/1205470448.db2.gz UOHJKOBSNCPCGO-UHFFFAOYSA-N -1 1 397.387 0.940 20 0 GCADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(CO)COC(C)(C)OC1 ZINC000791237546 1205475043 /nfs/dbraw/zinc/47/50/43/1205475043.db2.gz QCPUIUJWPAKQSD-UHFFFAOYSA-N -1 1 388.424 0.725 20 0 GCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3[nH]2)o1 ZINC000792202898 1205484828 /nfs/dbraw/zinc/48/48/28/1205484828.db2.gz UDPVDOVRPVCXCU-UHFFFAOYSA-N -1 1 378.366 0.277 20 0 GCADMM O=C([C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001170385164 1205491127 /nfs/dbraw/zinc/49/11/27/1205491127.db2.gz ZJSNTXYMBSVQNW-ZFWWWQNUSA-N -1 1 388.403 0.330 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)C1 ZINC001170376318 1205491861 /nfs/dbraw/zinc/49/18/61/1205491861.db2.gz YUXKEDNOPATFCZ-CHWSQXEVSA-N -1 1 396.448 0.516 20 0 GCADMM COc1cc(Br)c(N)c(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)c1 ZINC001170382072 1205491890 /nfs/dbraw/zinc/49/18/90/1205491890.db2.gz BSPIUCMPPMBKCE-SNVBAGLBSA-N -1 1 383.206 0.767 20 0 GCADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000804483613 1205516500 /nfs/dbraw/zinc/51/65/00/1205516500.db2.gz ITVDRISHXISKQV-BDJLRTHQSA-N -1 1 395.437 0.204 20 0 GCADMM C[C@@H](O)c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)ccc1F ZINC000804799215 1205525955 /nfs/dbraw/zinc/52/59/55/1205525955.db2.gz DIQYSJKEAKKGGT-MRVPVSSYSA-N -1 1 385.373 0.488 20 0 GCADMM Cc1cncc(CNC(=O)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000806490589 1205557654 /nfs/dbraw/zinc/55/76/54/1205557654.db2.gz WBHFGTKURLPISG-UHFFFAOYSA-N -1 1 386.374 0.923 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)ccnc1-2 ZINC000806488224 1205558232 /nfs/dbraw/zinc/55/82/32/1205558232.db2.gz NSGWZRYRAURLAS-LJQANCHMSA-N -1 1 393.407 0.718 20 0 GCADMM CCOC(=O)C(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cn1C ZINC000806633436 1205561261 /nfs/dbraw/zinc/56/12/61/1205561261.db2.gz QCIBPTVMIOJQJF-UHFFFAOYSA-N -1 1 396.377 0.976 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCN(Cc4ccsc4)CC3)ccnc1-2 ZINC000806847381 1205567817 /nfs/dbraw/zinc/56/78/17/1205567817.db2.gz OLIBQDFDBHUUPF-UHFFFAOYSA-N -1 1 384.465 0.686 20 0 GCADMM CCn1c(CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)nc2ccccc21 ZINC000806831790 1205568055 /nfs/dbraw/zinc/56/80/55/1205568055.db2.gz ZIIIYTKAPQBXBL-UHFFFAOYSA-N -1 1 377.408 0.966 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC(=O)Nc3ccc(Cl)cc3)ccnc1-2 ZINC000806859908 1205568566 /nfs/dbraw/zinc/56/85/66/1205568566.db2.gz BTVVVHJZNJMESI-UHFFFAOYSA-N -1 1 386.799 0.689 20 0 GCADMM CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806860489 1205568595 /nfs/dbraw/zinc/56/85/95/1205568595.db2.gz PFURXYHGAWFTNH-UHFFFAOYSA-N -1 1 380.408 0.055 20 0 GCADMM COCCOc1ccccc1CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806859367 1205568700 /nfs/dbraw/zinc/56/87/00/1205568700.db2.gz PARKJARJORSDLM-UHFFFAOYSA-N -1 1 383.408 0.622 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCNC(=O)CC3CCCCC3)ccnc1-2 ZINC000806882028 1205568877 /nfs/dbraw/zinc/56/88/77/1205568877.db2.gz RFMLKKGHLYNODM-UHFFFAOYSA-N -1 1 386.456 0.483 20 0 GCADMM COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806918735 1205569097 /nfs/dbraw/zinc/56/90/97/1205569097.db2.gz DZLKMJIAUAUEOY-OAHLLOKOSA-N -1 1 381.392 0.929 20 0 GCADMM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)N=c1ccnc3n(C)[n-]cc1-3)CC2 ZINC000806932855 1205569469 /nfs/dbraw/zinc/56/94/69/1205569469.db2.gz OSZNGZBYCHUYCK-LSDHHAIUSA-N -1 1 387.440 0.059 20 0 GCADMM Cc1ccoc1C(=O)NCCCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806908906 1205569958 /nfs/dbraw/zinc/56/99/58/1205569958.db2.gz SAUUSDSWUBDTSZ-UHFFFAOYSA-N -1 1 384.396 0.118 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@H](O)c3c(F)cccc3F)ccnc1-2 ZINC000806913802 1205570057 /nfs/dbraw/zinc/57/00/57/1205570057.db2.gz GMARVKCGKKESDI-ZDUSSCGKSA-N -1 1 375.335 0.408 20 0 GCADMM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000806934540 1205570838 /nfs/dbraw/zinc/57/08/38/1205570838.db2.gz WXQBCEVCYJXLAC-GUEPYNSDSA-N -1 1 377.470 0.476 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC(OC[C@@H]4CCCO4)CC3)ccnc1-2 ZINC000806935711 1205570901 /nfs/dbraw/zinc/57/09/01/1205570901.db2.gz IUWJPMOCGHDQBO-AWEZNQCLSA-N -1 1 387.440 0.467 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCO1 ZINC000806954739 1205571250 /nfs/dbraw/zinc/57/12/50/1205571250.db2.gz HEFBEUNIPUBNOO-ZYHUDNBSSA-N -1 1 379.379 0.587 20 0 GCADMM CCOC(=O)CC[C@@H]1CCCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000806949366 1205571265 /nfs/dbraw/zinc/57/12/65/1205571265.db2.gz SRXVDRQFVBGSEG-ZDUSSCGKSA-N -1 1 387.440 0.862 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCO[C@]4(CCc5ccccc54)C3)ccnc1-2 ZINC000806950305 1205571388 /nfs/dbraw/zinc/57/13/88/1205571388.db2.gz QSCLRUYWMQWDCR-OAQYLSRUSA-N -1 1 391.431 0.981 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3cccc(CN4CCOC4=O)c3)ccnc1-2 ZINC000807000069 1205572263 /nfs/dbraw/zinc/57/22/63/1205572263.db2.gz IQHOGYSIYOVLET-UHFFFAOYSA-N -1 1 394.391 0.871 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@]3(CO)C[C@H]3c3ccc(F)cc3)ccnc1-2 ZINC000807037429 1205573757 /nfs/dbraw/zinc/57/37/57/1205573757.db2.gz QBQVTJRWNVZOTO-MGPUTAFESA-N -1 1 397.410 0.702 20 0 GCADMM CCCCn1ccnc1-c1cccc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000807061893 1205574120 /nfs/dbraw/zinc/57/41/20/1205574120.db2.gz IBRQJLWHQBAHQY-UHFFFAOYSA-N -1 1 384.396 0.872 20 0 GCADMM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)NN1CC(=O)[N-]C1=O ZINC000807061846 1205574160 /nfs/dbraw/zinc/57/41/60/1205574160.db2.gz FZLARJPXFAMTAR-UHFFFAOYSA-N -1 1 391.384 0.864 20 0 GCADMM CCCc1c(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)cnn1-c1cccc(F)c1 ZINC000807062558 1205574363 /nfs/dbraw/zinc/57/43/63/1205574363.db2.gz GKJFGVIWNWCUCJ-UHFFFAOYSA-N -1 1 388.359 0.485 20 0 GCADMM Cc1cccn2cc(-c3ccc(NC(=O)C(=O)NN4CC(=O)[N-]C4=O)cc3)nc12 ZINC000807061770 1205574365 /nfs/dbraw/zinc/57/43/65/1205574365.db2.gz BJEGTMGKSMLQCF-UHFFFAOYSA-N -1 1 392.375 0.831 20 0 GCADMM Cc1cc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)nn1-c1ccccc1Cl ZINC000807062289 1205574505 /nfs/dbraw/zinc/57/45/05/1205574505.db2.gz RMIVLJLTRNJPIT-UHFFFAOYSA-N -1 1 376.760 0.356 20 0 GCADMM O=C(Nc1cccc(C(=O)OCc2ccccc2)c1)C(=O)NN1CC(=O)[N-]C1=O ZINC000807062213 1205574570 /nfs/dbraw/zinc/57/45/70/1205574570.db2.gz OPJNELWPKUVCJX-UHFFFAOYSA-N -1 1 396.359 0.565 20 0 GCADMM CC(C)(C)OC(=O)CCc1cccc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000807063312 1205574660 /nfs/dbraw/zinc/57/46/60/1205574660.db2.gz RFJXTCFTZBGBCA-UHFFFAOYSA-N -1 1 390.396 0.482 20 0 GCADMM O=C(NCC[C@H]1CCCCO1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000807324395 1205578504 /nfs/dbraw/zinc/57/85/04/1205578504.db2.gz XNCNJRXNXRBBCN-CYBMUJFWSA-N -1 1 393.406 0.979 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC001130969068 1205582640 /nfs/dbraw/zinc/58/26/40/1205582640.db2.gz IIFAHBIDJUNZLQ-GHMZBOCLSA-N -1 1 380.430 0.274 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC001130969070 1205582737 /nfs/dbraw/zinc/58/27/37/1205582737.db2.gz IIFAHBIDJUNZLQ-QWRGUYRKSA-N -1 1 380.430 0.274 20 0 GCADMM Cc1ocnc1CNC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000807548031 1205584045 /nfs/dbraw/zinc/58/40/45/1205584045.db2.gz OTPRTEWUDYBFND-UHFFFAOYSA-N -1 1 376.335 0.516 20 0 GCADMM C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000807599022 1205586476 /nfs/dbraw/zinc/58/64/76/1205586476.db2.gz DDKKIJQPHUXEBR-DGCLKSJQSA-N -1 1 393.406 0.835 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000747469874 1205603875 /nfs/dbraw/zinc/60/38/75/1205603875.db2.gz IZXDWTBIZSZDLN-OAHLLOKOSA-N -1 1 387.425 0.169 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccs1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000747469459 1205603878 /nfs/dbraw/zinc/60/38/78/1205603878.db2.gz DUXZMGISWOFTSZ-AWEZNQCLSA-N -1 1 392.466 0.835 20 0 GCADMM NC(=O)[C@H]1CC(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)=NN1c1ccccc1 ZINC000747474687 1205604572 /nfs/dbraw/zinc/60/45/72/1205604572.db2.gz WOFQWZVWXXZYRP-CVEARBPZSA-N -1 1 390.407 0.526 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)ccnc1-2 ZINC000808861995 1205612956 /nfs/dbraw/zinc/61/29/56/1205612956.db2.gz VPUZVGOELILFJG-LBPRGKRZSA-N -1 1 392.485 0.668 20 0 GCADMM COc1ccc(NC(=O)NC[C@H](O)c2cnn(C)c2)cc1[N-]S(C)(=O)=O ZINC000747545324 1205618663 /nfs/dbraw/zinc/61/86/63/1205618663.db2.gz CKEXZGRBRYOUKR-ZDUSSCGKSA-N -1 1 383.430 0.655 20 0 GCADMM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069318 1205633940 /nfs/dbraw/zinc/63/39/40/1205633940.db2.gz CDJKKLJNGOGMJX-NXEZZACHSA-N -1 1 375.399 0.971 20 0 GCADMM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069323 1205634041 /nfs/dbraw/zinc/63/40/41/1205634041.db2.gz CDJKKLJNGOGMJX-UWVGGRQHSA-N -1 1 375.399 0.971 20 0 GCADMM CCn1nccc1NC(=O)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810457208 1205638220 /nfs/dbraw/zinc/63/82/20/1205638220.db2.gz HILVQYYLPUPOJH-JTQLQIEISA-N -1 1 375.351 0.759 20 0 GCADMM Cn1cccc(NC(=O)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1=O ZINC000810456937 1205638224 /nfs/dbraw/zinc/63/82/24/1205638224.db2.gz BVBNTMUNQPTBNA-SNVBAGLBSA-N -1 1 388.346 0.241 20 0 GCADMM Cc1cc(NC(=O)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n(C)n1 ZINC000810459313 1205638334 /nfs/dbraw/zinc/63/83/34/1205638334.db2.gz GDNISGZMKDZKHD-SNVBAGLBSA-N -1 1 375.351 0.584 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCN(Cc3ncccn3)C2)o1 ZINC000810736235 1205641623 /nfs/dbraw/zinc/64/16/23/1205641623.db2.gz RKXMRMRCSXKFCH-GFCCVEGCSA-N -1 1 380.426 0.799 20 0 GCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCc2nnc3n2CCOC3)o1 ZINC000810812817 1205643219 /nfs/dbraw/zinc/64/32/19/1205643219.db2.gz XUGLVLHVIASLBD-UHFFFAOYSA-N -1 1 384.414 0.835 20 0 GCADMM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000810905568 1205644354 /nfs/dbraw/zinc/64/43/54/1205644354.db2.gz TVYBCXLFSJEFIR-SNVBAGLBSA-N -1 1 393.387 0.865 20 0 GCADMM Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810897627 1205644389 /nfs/dbraw/zinc/64/43/89/1205644389.db2.gz KWOYRLJKKOXZNO-SECBINFHSA-N -1 1 396.391 0.203 20 0 GCADMM CC(C)N1C(=O)C(=O)N(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1=O ZINC000811785517 1205657786 /nfs/dbraw/zinc/65/77/86/1205657786.db2.gz HBTHFLFPXYBBFU-SNVBAGLBSA-N -1 1 378.351 0.534 20 0 GCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000812362343 1205663992 /nfs/dbraw/zinc/66/39/92/1205663992.db2.gz VYSJFFPCLOTHNO-UHFFFAOYSA-N -1 1 382.398 0.381 20 0 GCADMM COCCCn1nc(C(=O)Nc2[n-]c(C(=O)OC)cc2C(C)=O)ccc1=O ZINC001133687985 1205674578 /nfs/dbraw/zinc/67/45/78/1205674578.db2.gz HTNVMWOCRDYBRK-UHFFFAOYSA-N -1 1 376.369 0.849 20 0 GCADMM Cn1cc(S(=O)(=O)[N-]CC2(O)CCC3(CC2)OCCO3)c(C(F)(F)F)n1 ZINC000815026481 1205697518 /nfs/dbraw/zinc/69/75/18/1205697518.db2.gz SKZXSPXQCJJDGK-UHFFFAOYSA-N -1 1 399.391 0.765 20 0 GCADMM 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ZKWWZBWQRZLAAL-VIFPVBQESA-N -1 1 385.413 0.144 20 0 GCADMM NC(=O)c1csc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571258696 945361852 /nfs/dbraw/zinc/36/18/52/945361852.db2.gz ZKWWZBWQRZLAAL-VIFPVBQESA-N -1 1 385.413 0.144 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001571258954 945372083 /nfs/dbraw/zinc/37/20/83/945372083.db2.gz FKNXEMHURBZJBT-LLVKDONJSA-N -1 1 385.432 0.118 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001571258954 945372095 /nfs/dbraw/zinc/37/20/95/945372095.db2.gz FKNXEMHURBZJBT-LLVKDONJSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(CCN1CCCC1=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571259496 945389594 /nfs/dbraw/zinc/38/95/94/945389594.db2.gz HIIPCHOZSWQVPE-UHFFFAOYSA-N -1 1 385.432 0.072 20 0 GCADMM O=C(CCN1CCCC1=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259496 945389605 /nfs/dbraw/zinc/38/96/05/945389605.db2.gz HIIPCHOZSWQVPE-UHFFFAOYSA-N -1 1 385.432 0.072 20 0 GCADMM O=C(CN1CCCCC1=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571259664 945392865 /nfs/dbraw/zinc/39/28/65/945392865.db2.gz IZQAHICIDXIROM-LBPRGKRZSA-N -1 1 385.432 0.072 20 0 GCADMM O=C(CN1CCCCC1=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571259664 945392874 /nfs/dbraw/zinc/39/28/74/945392874.db2.gz IZQAHICIDXIROM-LBPRGKRZSA-N -1 1 385.432 0.072 20 0 GCADMM CC[C@@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)N1CCCC1=O ZINC001571259753 945396248 /nfs/dbraw/zinc/39/62/48/945396248.db2.gz QOHLHKUSSSQJKL-AAEUAGOBSA-N -1 1 385.432 0.071 20 0 GCADMM CC[C@@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)N1CCCC1=O ZINC001571259753 945396255 /nfs/dbraw/zinc/39/62/55/945396255.db2.gz QOHLHKUSSSQJKL-AAEUAGOBSA-N -1 1 385.432 0.071 20 0 GCADMM O=C(C[C@H]1CCC(=O)N1)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571259853 945400745 /nfs/dbraw/zinc/40/07/45/945400745.db2.gz LNZOXWNSVBOVJV-HTAVTVPLSA-N -1 1 385.432 0.165 20 0 GCADMM O=C(C[C@H]1CCC(=O)N1)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259853 945400747 /nfs/dbraw/zinc/40/07/47/945400747.db2.gz LNZOXWNSVBOVJV-HTAVTVPLSA-N -1 1 385.432 0.165 20 0 GCADMM C[C@]12CN(C(=O)CCn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001571259976 945403257 /nfs/dbraw/zinc/40/32/57/945403257.db2.gz UODKIZHBABNQHB-GJPRJAGVSA-N -1 1 385.428 0.414 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CN1CCCC1=O ZINC001571260261 945412443 /nfs/dbraw/zinc/41/24/43/945412443.db2.gz ZFHOTVJRHMKHSB-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCC1=O ZINC001571260261 945412445 /nfs/dbraw/zinc/41/24/45/945412445.db2.gz ZFHOTVJRHMKHSB-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571260368 945414599 /nfs/dbraw/zinc/41/45/99/945414599.db2.gz QQSUSYJTZUZFHU-WHOHXGKFSA-N -1 1 385.432 0.008 20 0 GCADMM NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571260368 945414602 /nfs/dbraw/zinc/41/46/02/945414602.db2.gz QQSUSYJTZUZFHU-WHOHXGKFSA-N -1 1 385.432 0.008 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccns2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571261494 945426591 /nfs/dbraw/zinc/42/65/91/945426591.db2.gz GJVGFHPFXYLQPV-WDEREUQCSA-N -1 1 385.457 0.888 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CCc2cscn2)C1 ZINC001571261824 945431549 /nfs/dbraw/zinc/43/15/49/945431549.db2.gz JNHSZHQKTMOQLT-LBPRGKRZSA-N -1 1 385.457 0.783 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CCc2cscn2)C1 ZINC001571261824 945431555 /nfs/dbraw/zinc/43/15/55/945431555.db2.gz JNHSZHQKTMOQLT-LBPRGKRZSA-N -1 1 385.457 0.783 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571262060 945432856 /nfs/dbraw/zinc/43/28/56/945432856.db2.gz MWNAAZZFAIKSTI-MNOVXSKESA-N -1 1 385.457 0.745 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571262738 945442023 /nfs/dbraw/zinc/44/20/23/945442023.db2.gz WOSZJUDSNJPWDI-NWDGAFQWSA-N -1 1 385.457 0.829 20 0 GCADMM CCc1nc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cs1 ZINC001571262766 945442508 /nfs/dbraw/zinc/44/25/08/945442508.db2.gz XEHUIXFGHROYDW-SNVBAGLBSA-N -1 1 385.457 0.931 20 0 GCADMM CCc1nc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cs1 ZINC001571262766 945442513 /nfs/dbraw/zinc/44/25/13/945442513.db2.gz XEHUIXFGHROYDW-SNVBAGLBSA-N -1 1 385.457 0.931 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)ns1 ZINC001571263635 945462929 /nfs/dbraw/zinc/46/29/29/945462929.db2.gz VLGMCTBJQFZRIU-LLVKDONJSA-N -1 1 385.457 0.950 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001571264983 945497624 /nfs/dbraw/zinc/49/76/24/945497624.db2.gz BTBOSFUJLXFQFR-KOLCDFICSA-N -1 1 385.819 0.842 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001571265862 945524668 /nfs/dbraw/zinc/52/46/68/945524668.db2.gz QRZAIPXOXZCJCG-SKDRFNHKSA-N -1 1 385.819 0.842 20 0 GCADMM O=C(c1ccc(Cl)[nH]1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571265858 945524869 /nfs/dbraw/zinc/52/48/69/945524869.db2.gz QREZDNMQYRVWGF-GXSJLCMTSA-N -1 1 385.819 0.989 20 0 GCADMM O=C(c1ccc(Cl)[nH]1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571265858 945524872 /nfs/dbraw/zinc/52/48/72/945524872.db2.gz QREZDNMQYRVWGF-GXSJLCMTSA-N -1 1 385.819 0.989 20 0 GCADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)cn1 ZINC001571266249 945537519 /nfs/dbraw/zinc/53/75/19/945537519.db2.gz YJNRKMUZAGDYIN-UHFFFAOYSA-N -1 1 385.819 0.748 20 0 GCADMM CC(C)(C)OC(=O)Cn1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1=O ZINC001571266970 945558973 /nfs/dbraw/zinc/55/89/73/945558973.db2.gz DUELKMKUTZUMRR-UHFFFAOYSA-N -1 1 386.372 0.346 20 0 GCADMM O=S(=O)(NCc1ncc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571267226 945565394 /nfs/dbraw/zinc/56/53/94/945565394.db2.gz NDVLKJFBTJNZSW-UHFFFAOYSA-N -1 1 386.319 0.549 20 0 GCADMM O=S(=O)(NCc1ncc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571267226 945565402 /nfs/dbraw/zinc/56/54/02/945565402.db2.gz NDVLKJFBTJNZSW-UHFFFAOYSA-N -1 1 386.319 0.549 20 0 GCADMM O=C(Cc1c(F)cccc1F)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267440 945571773 /nfs/dbraw/zinc/57/17/73/945571773.db2.gz VIXLFCCFHUXULX-JTQLQIEISA-N -1 1 386.366 0.873 20 0 GCADMM O=C(Cc1c(F)cccc1F)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267440 945571779 /nfs/dbraw/zinc/57/17/79/945571779.db2.gz VIXLFCCFHUXULX-JTQLQIEISA-N -1 1 386.366 0.873 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571267825 945578899 /nfs/dbraw/zinc/57/88/99/945578899.db2.gz GCVOXVHJESWAJF-NWDGAFQWSA-N -1 1 386.416 0.177 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571267825 945578905 /nfs/dbraw/zinc/57/89/05/945578905.db2.gz GCVOXVHJESWAJF-NWDGAFQWSA-N -1 1 386.416 0.177 20 0 GCADMM O=C(c1cnn(CCF)c1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267834 945580200 /nfs/dbraw/zinc/58/02/00/945580200.db2.gz GELXYLJTQYQOTD-UHFFFAOYSA-N -1 1 386.395 0.175 20 0 GCADMM O=C(c1cnn(CCF)c1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267834 945580203 /nfs/dbraw/zinc/58/02/03/945580203.db2.gz GELXYLJTQYQOTD-UHFFFAOYSA-N -1 1 386.395 0.175 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001571267915 945580800 /nfs/dbraw/zinc/58/08/00/945580800.db2.gz IVHQKYVUMQZASE-VXGBXAGGSA-N -1 1 386.416 0.037 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001571267915 945580803 /nfs/dbraw/zinc/58/08/03/945580803.db2.gz IVHQKYVUMQZASE-VXGBXAGGSA-N -1 1 386.416 0.037 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001571267875 945580818 /nfs/dbraw/zinc/58/08/18/945580818.db2.gz HIAGEMPCGKSWMH-VXGBXAGGSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001571267875 945580824 /nfs/dbraw/zinc/58/08/24/945580824.db2.gz HIAGEMPCGKSWMH-VXGBXAGGSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC001571267928 945582885 /nfs/dbraw/zinc/58/28/85/945582885.db2.gz JIMOODRHICGLQP-ZJUUUORDSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC001571267928 945582895 /nfs/dbraw/zinc/58/28/95/945582895.db2.gz JIMOODRHICGLQP-ZJUUUORDSA-N -1 1 386.395 0.872 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(CCF)c1 ZINC001571268023 945585176 /nfs/dbraw/zinc/58/51/76/945585176.db2.gz LKULXKZBYDSXAY-LLVKDONJSA-N -1 1 386.395 0.079 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(CCF)c1 ZINC001571268023 945585183 /nfs/dbraw/zinc/58/51/83/945585183.db2.gz LKULXKZBYDSXAY-LLVKDONJSA-N -1 1 386.395 0.079 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(CCF)c1 ZINC001571268024 945585611 /nfs/dbraw/zinc/58/56/11/945585611.db2.gz LKULXKZBYDSXAY-NSHDSACASA-N -1 1 386.395 0.079 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(CCF)c1 ZINC001571268024 945585619 /nfs/dbraw/zinc/58/56/19/945585619.db2.gz LKULXKZBYDSXAY-NSHDSACASA-N -1 1 386.395 0.079 20 0 GCADMM CC1(C)CN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571268037 945586416 /nfs/dbraw/zinc/58/64/16/945586416.db2.gz LTEKFZFMZUTNRU-JQWIXIFHSA-N -1 1 386.416 0.259 20 0 GCADMM CC1(C)CN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571268037 945586418 /nfs/dbraw/zinc/58/64/18/945586418.db2.gz LTEKFZFMZUTNRU-JQWIXIFHSA-N -1 1 386.416 0.259 20 0 GCADMM CC1(C)CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571268036 945586553 /nfs/dbraw/zinc/58/65/53/945586553.db2.gz LTEKFZFMZUTNRU-CMPLNLGQSA-N -1 1 386.416 0.259 20 0 GCADMM CC1(C)CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571268036 945586560 /nfs/dbraw/zinc/58/65/60/945586560.db2.gz LTEKFZFMZUTNRU-CMPLNLGQSA-N -1 1 386.416 0.259 20 0 GCADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001571268084 945587405 /nfs/dbraw/zinc/58/74/05/945587405.db2.gz NODJSBPTJPJBMJ-NSHDSACASA-N -1 1 386.416 0.403 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001571268084 945587410 /nfs/dbraw/zinc/58/74/10/945587410.db2.gz NODJSBPTJPJBMJ-NSHDSACASA-N -1 1 386.416 0.403 20 0 GCADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001571268083 945588004 /nfs/dbraw/zinc/58/80/04/945588004.db2.gz NODJSBPTJPJBMJ-LLVKDONJSA-N -1 1 386.416 0.403 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001571268083 945588010 /nfs/dbraw/zinc/58/80/10/945588010.db2.gz NODJSBPTJPJBMJ-LLVKDONJSA-N -1 1 386.416 0.403 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268415 945596674 /nfs/dbraw/zinc/59/66/74/945596674.db2.gz RFROBTKUVALWJJ-UHFFFAOYSA-N -1 1 386.395 0.458 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268415 945596676 /nfs/dbraw/zinc/59/66/76/945596676.db2.gz RFROBTKUVALWJJ-UHFFFAOYSA-N -1 1 386.395 0.458 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571268623 945599498 /nfs/dbraw/zinc/59/94/98/945599498.db2.gz VBHLMUFKJQRQNZ-JTQLQIEISA-N -1 1 386.395 0.189 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571268623 945599509 /nfs/dbraw/zinc/59/95/09/945599509.db2.gz VBHLMUFKJQRQNZ-JTQLQIEISA-N -1 1 386.395 0.189 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268622 945600189 /nfs/dbraw/zinc/60/01/89/945600189.db2.gz UZYBBSSYOTVTFZ-ZJUUUORDSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268622 945600193 /nfs/dbraw/zinc/60/01/93/945600193.db2.gz UZYBBSSYOTVTFZ-ZJUUUORDSA-N -1 1 386.395 0.872 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@H]2NC(=O)C2=COCCO2)n1 ZINC001571269291 945617743 /nfs/dbraw/zinc/61/77/43/945617743.db2.gz USBKRURNPXJMBO-VXGBXAGGSA-N -1 1 386.416 0.550 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@H]2NC(=O)C2=COCCO2)n1 ZINC001571269291 945617747 /nfs/dbraw/zinc/61/77/47/945617747.db2.gz USBKRURNPXJMBO-VXGBXAGGSA-N -1 1 386.416 0.550 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1csnn1 ZINC001571269657 945622998 /nfs/dbraw/zinc/62/29/98/945622998.db2.gz BQMZYBFBEVWXGL-VHSXEESVSA-N -1 1 386.445 0.909 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1csnn1 ZINC001571269657 945623003 /nfs/dbraw/zinc/62/30/03/945623003.db2.gz BQMZYBFBEVWXGL-VHSXEESVSA-N -1 1 386.445 0.909 20 0 GCADMM Cc1csc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571269626 945623182 /nfs/dbraw/zinc/62/31/82/945623182.db2.gz AVMXTSLVSULQFX-NSHDSACASA-N -1 1 386.441 0.980 20 0 GCADMM Cc1csc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269626 945623186 /nfs/dbraw/zinc/62/31/86/945623186.db2.gz AVMXTSLVSULQFX-NSHDSACASA-N -1 1 386.441 0.980 20 0 GCADMM CCc1nc(NC2CCN(C(=O)c3csnn3)CC2)cc(-c2nnn[n-]2)n1 ZINC001571269876 945624943 /nfs/dbraw/zinc/62/49/43/945624943.db2.gz GDJZTEZMUKPIPF-UHFFFAOYSA-N -1 1 386.445 0.787 20 0 GCADMM CCc1nc(NC2CCN(C(=O)c3csnn3)CC2)cc(-c2nn[n-]n2)n1 ZINC001571269876 945624952 /nfs/dbraw/zinc/62/49/52/945624952.db2.gz GDJZTEZMUKPIPF-UHFFFAOYSA-N -1 1 386.445 0.787 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)c3cnns3)C2)cc(-c2nnn[n-]2)n1 ZINC001571269913 945627600 /nfs/dbraw/zinc/62/76/00/945627600.db2.gz HSEMQIDRIYNBQR-SECBINFHSA-N -1 1 386.445 0.645 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)c3cnns3)C2)cc(-c2nn[n-]n2)n1 ZINC001571269913 945627607 /nfs/dbraw/zinc/62/76/07/945627607.db2.gz HSEMQIDRIYNBQR-SECBINFHSA-N -1 1 386.445 0.645 20 0 GCADMM NS(=O)(=O)c1ccc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001571269947 945627813 /nfs/dbraw/zinc/62/78/13/945627813.db2.gz IODLNFHGUZGGRN-UHFFFAOYSA-N -1 1 386.441 0.688 20 0 GCADMM NS(=O)(=O)c1ccc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001571269947 945627817 /nfs/dbraw/zinc/62/78/17/945627817.db2.gz IODLNFHGUZGGRN-UHFFFAOYSA-N -1 1 386.441 0.688 20 0 GCADMM Cc1nnsc1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571269995 945629696 /nfs/dbraw/zinc/62/96/96/945629696.db2.gz JRPXJJALTGTEIN-UHFFFAOYSA-N -1 1 386.445 0.606 20 0 GCADMM Cc1nnsc1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571269995 945629702 /nfs/dbraw/zinc/62/97/02/945629702.db2.gz JRPXJJALTGTEIN-UHFFFAOYSA-N -1 1 386.445 0.606 20 0 GCADMM C[C@H](c1ccccc1)[C@@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)C(N)=O ZINC001571270096 945631074 /nfs/dbraw/zinc/63/10/74/945631074.db2.gz NADNDWUNQOBRRE-NOZJJQNGSA-N -1 1 386.441 0.780 20 0 GCADMM C[C@H](c1ccccc1)[C@@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)C(N)=O ZINC001571270096 945631079 /nfs/dbraw/zinc/63/10/79/945631079.db2.gz NADNDWUNQOBRRE-NOZJJQNGSA-N -1 1 386.441 0.780 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270247 945632751 /nfs/dbraw/zinc/63/27/51/945632751.db2.gz OCBZNELZRNBMAL-ZJUUUORDSA-N -1 1 386.445 0.140 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270246 945632869 /nfs/dbraw/zinc/63/28/69/945632869.db2.gz OCBZNELZRNBMAL-VHSXEESVSA-N -1 1 386.445 0.140 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](NC(=O)c3cnns3)C2)n1 ZINC001571270291 945632937 /nfs/dbraw/zinc/63/29/37/945632937.db2.gz PICHKHIZKZOLJH-VHSXEESVSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](NC(=O)c3cnns3)C2)n1 ZINC001571270291 945632944 /nfs/dbraw/zinc/63/29/44/945632944.db2.gz PICHKHIZKZOLJH-VHSXEESVSA-N -1 1 386.445 0.970 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571270255 945633558 /nfs/dbraw/zinc/63/35/58/945633558.db2.gz OILPRBLWYGXHKN-ZJUUUORDSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571270255 945633563 /nfs/dbraw/zinc/63/35/63/945633563.db2.gz OILPRBLWYGXHKN-ZJUUUORDSA-N -1 1 386.445 0.861 20 0 GCADMM Cc1cc(C)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)s1 ZINC001571270261 945633605 /nfs/dbraw/zinc/63/36/05/945633605.db2.gz OLSIBASIAYVOTN-MNOVXSKESA-N -1 1 386.441 0.315 20 0 GCADMM Cc1nsc(N[C@H]2CN(C(=O)c3nccnc3N)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571270317 945634512 /nfs/dbraw/zinc/63/45/12/945634512.db2.gz QDKMHMJIVHGVBC-APPZFPTMSA-N -1 1 386.445 0.576 20 0 GCADMM Cc1nsc(N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571270320 945634895 /nfs/dbraw/zinc/63/48/95/945634895.db2.gz QDKMHMJIVHGVBC-VXNVDRBHSA-N -1 1 386.445 0.576 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1)c1cnsn1 ZINC001571270385 945636875 /nfs/dbraw/zinc/63/68/75/945636875.db2.gz RYSNYDJZMKFSBJ-MGCOHNPYSA-N -1 1 386.445 0.909 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1)c1cnsn1 ZINC001571270385 945636878 /nfs/dbraw/zinc/63/68/78/945636878.db2.gz RYSNYDJZMKFSBJ-MGCOHNPYSA-N -1 1 386.445 0.909 20 0 GCADMM COc1ccsc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571270505 945637056 /nfs/dbraw/zinc/63/70/56/945637056.db2.gz UIOPDPOISSXVCJ-UWVGGRQHSA-N -1 1 386.441 0.864 20 0 GCADMM COc1ccsc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571270576 945638877 /nfs/dbraw/zinc/63/88/77/945638877.db2.gz VPDLLMRRCSYYNI-JTQLQIEISA-N -1 1 386.441 0.983 20 0 GCADMM COc1ccsc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571270576 945638886 /nfs/dbraw/zinc/63/88/86/945638886.db2.gz VPDLLMRRCSYYNI-JTQLQIEISA-N -1 1 386.441 0.983 20 0 GCADMM C[C@H]1CN(C(=O)c2cnsn2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270684 945640347 /nfs/dbraw/zinc/64/03/47/945640347.db2.gz YWJQLHCXIRGCCO-UWVGGRQHSA-N -1 1 386.445 0.140 20 0 GCADMM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)c1ncccn1 ZINC001571270726 945642502 /nfs/dbraw/zinc/64/25/02/945642502.db2.gz ZTDNBWPYILADIG-NSHDSACASA-N -1 1 386.441 0.349 20 0 GCADMM COC(=O)c1csc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001571270723 945642982 /nfs/dbraw/zinc/64/29/82/945642982.db2.gz ZSSUNJICRJPTOO-UHFFFAOYSA-N -1 1 386.440 0.650 20 0 GCADMM COC(=O)c1csc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001571270723 945642985 /nfs/dbraw/zinc/64/29/85/945642985.db2.gz ZSSUNJICRJPTOO-UHFFFAOYSA-N -1 1 386.440 0.650 20 0 GCADMM CO[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC001571272187 945656416 /nfs/dbraw/zinc/65/64/16/945656416.db2.gz ASRUXSQLLZUBSD-HNNXBMFYSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC001571272187 945656421 /nfs/dbraw/zinc/65/64/21/945656421.db2.gz ASRUXSQLLZUBSD-HNNXBMFYSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001571272266 945657525 /nfs/dbraw/zinc/65/75/25/945657525.db2.gz CAXMXNVYISNKLV-CJNGLKHVSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001571272266 945657529 /nfs/dbraw/zinc/65/75/29/945657529.db2.gz CAXMXNVYISNKLV-CJNGLKHVSA-N -1 1 386.460 0.899 20 0 GCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)n1 ZINC001571272241 945657733 /nfs/dbraw/zinc/65/77/33/945657733.db2.gz BQTJSPOSOXGWKV-MGPQQGTHSA-N -1 1 386.460 0.601 20 0 GCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)n1 ZINC001571272241 945657741 /nfs/dbraw/zinc/65/77/41/945657741.db2.gz BQTJSPOSOXGWKV-MGPQQGTHSA-N -1 1 386.460 0.601 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001571272435 945661843 /nfs/dbraw/zinc/66/18/43/945661843.db2.gz DRJDDLKQKVMUFW-LRDDRELGSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001571272435 945661849 /nfs/dbraw/zinc/66/18/49/945661849.db2.gz DRJDDLKQKVMUFW-LRDDRELGSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001571272456 945664362 /nfs/dbraw/zinc/66/43/62/945664362.db2.gz FFANDNZBADCULW-DZGCQCFKSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001571272456 945664368 /nfs/dbraw/zinc/66/43/68/945664368.db2.gz FFANDNZBADCULW-DZGCQCFKSA-N -1 1 386.460 0.899 20 0 GCADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCOCC1 ZINC001571272635 945667219 /nfs/dbraw/zinc/66/72/19/945667219.db2.gz GRMYRGBKEIUMBS-AWEZNQCLSA-N -1 1 386.460 0.806 20 0 GCADMM COC1CC(C(=O)N[C@H](C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571272622 945668166 /nfs/dbraw/zinc/66/81/66/945668166.db2.gz GGVMJCDNGBBMOB-LMWSTFAQSA-N -1 1 386.460 0.803 20 0 GCADMM COC1CC(C(=O)N[C@H](C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571272622 945668169 /nfs/dbraw/zinc/66/81/69/945668169.db2.gz GGVMJCDNGBBMOB-LMWSTFAQSA-N -1 1 386.460 0.803 20 0 GCADMM C[C@H](NC(=O)[C@@H]1CCCOC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571272717 945669397 /nfs/dbraw/zinc/66/93/97/945669397.db2.gz IEKDQCBRLNJSSW-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)[C@@H]1CCCOC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571272717 945669399 /nfs/dbraw/zinc/66/93/99/945669399.db2.gz IEKDQCBRLNJSSW-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)C3CCC(O)CC3)C2)n1 ZINC001571272797 945671406 /nfs/dbraw/zinc/67/14/06/945671406.db2.gz IMXXUEXWYJGCRN-HSBZDZAISA-N -1 1 386.460 0.459 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)C3CCC(O)CC3)C2)n1 ZINC001571272797 945671413 /nfs/dbraw/zinc/67/14/13/945671413.db2.gz IMXXUEXWYJGCRN-HSBZDZAISA-N -1 1 386.460 0.459 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)C[C@@H]1CCOC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571272888 945673651 /nfs/dbraw/zinc/67/36/51/945673651.db2.gz KDLMBNYBPMNFSX-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)C[C@@H]1CCOC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571272888 945673656 /nfs/dbraw/zinc/67/36/56/945673656.db2.gz KDLMBNYBPMNFSX-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(C2)CN(C(=O)C(C)C)C[C@@H](C)O3)n1 ZINC001571272866 945673730 /nfs/dbraw/zinc/67/37/30/945673730.db2.gz JRPMKAVGDMJIRN-FZKQIMNGSA-N -1 1 386.460 0.817 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(C2)CN(C(=O)C(C)C)C[C@@H](C)O3)n1 ZINC001571272866 945673734 /nfs/dbraw/zinc/67/37/34/945673734.db2.gz JRPMKAVGDMJIRN-FZKQIMNGSA-N -1 1 386.460 0.817 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)COC3CCCC3)C2)n1 ZINC001571272863 945673926 /nfs/dbraw/zinc/67/39/26/945673926.db2.gz JQNKZRACGZRPOQ-CYBMUJFWSA-N -1 1 386.460 0.961 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)COC3CCCC3)C2)n1 ZINC001571272863 945673930 /nfs/dbraw/zinc/67/39/30/945673930.db2.gz JQNKZRACGZRPOQ-CYBMUJFWSA-N -1 1 386.460 0.961 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)C[C@H]3CCOC3)C2)n1 ZINC001571272936 945675027 /nfs/dbraw/zinc/67/50/27/945675027.db2.gz LHERUVFYUANDSX-YRGRVCCFSA-N -1 1 386.460 0.587 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)C[C@H]3CCOC3)C2)n1 ZINC001571272936 945675035 /nfs/dbraw/zinc/67/50/35/945675035.db2.gz LHERUVFYUANDSX-YRGRVCCFSA-N -1 1 386.460 0.587 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571272930 945676217 /nfs/dbraw/zinc/67/62/17/945676217.db2.gz LADIEZQTMGZEMX-KBPBESRZSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571272930 945676221 /nfs/dbraw/zinc/67/62/21/945676221.db2.gz LADIEZQTMGZEMX-KBPBESRZSA-N -1 1 386.460 0.758 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2CNC(=O)[C@@H]2CCCO2)n1 ZINC001571273059 945677138 /nfs/dbraw/zinc/67/71/38/945677138.db2.gz OEQTYDHIMMWWHA-JSGCOSHPSA-N -1 1 386.460 0.873 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2CNC(=O)[C@@H]2CCCO2)n1 ZINC001571273059 945677144 /nfs/dbraw/zinc/67/71/44/945677144.db2.gz OEQTYDHIMMWWHA-JSGCOSHPSA-N -1 1 386.460 0.873 20 0 GCADMM CO[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571273004 945678140 /nfs/dbraw/zinc/67/81/40/945678140.db2.gz MUUUWOIBHHVKIX-SYQHCUMBSA-N -1 1 386.460 0.591 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273113 945679576 /nfs/dbraw/zinc/67/95/76/945679576.db2.gz PMHPCBMCRJSKTB-ZIAGYGMSSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273113 945679590 /nfs/dbraw/zinc/67/95/90/945679590.db2.gz PMHPCBMCRJSKTB-ZIAGYGMSSA-N -1 1 386.460 0.758 20 0 GCADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)C3CC(OC)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273206 945681715 /nfs/dbraw/zinc/68/17/15/945681715.db2.gz SONCDFYCQMQVAY-RUXNMCCTSA-N -1 1 386.460 0.951 20 0 GCADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)C3CC(OC)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273206 945681721 /nfs/dbraw/zinc/68/17/21/945681721.db2.gz SONCDFYCQMQVAY-RUXNMCCTSA-N -1 1 386.460 0.951 20 0 GCADMM O=C(CC1CCOCC1)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571273160 945681869 /nfs/dbraw/zinc/68/18/69/945681869.db2.gz QWRRSVNVIKDMDY-CQSZACIVSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(CC1CCOCC1)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571273160 945681873 /nfs/dbraw/zinc/68/18/73/945681873.db2.gz QWRRSVNVIKDMDY-CQSZACIVSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(CC1CCOCC1)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571273159 945681911 /nfs/dbraw/zinc/68/19/11/945681911.db2.gz QWRRSVNVIKDMDY-AWEZNQCLSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(CC1CCOCC1)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571273159 945681917 /nfs/dbraw/zinc/68/19/17/945681917.db2.gz QWRRSVNVIKDMDY-AWEZNQCLSA-N -1 1 386.460 0.949 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571273202 945682204 /nfs/dbraw/zinc/68/22/04/945682204.db2.gz SLYVZXBUXKSGRC-UGSOOPFHSA-N -1 1 386.460 0.758 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCO[C@@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571273228 945682487 /nfs/dbraw/zinc/68/24/87/945682487.db2.gz SWVSEVMODLDBHZ-LPWJVIDDSA-N -1 1 386.460 0.951 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCO[C@@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571273228 945682496 /nfs/dbraw/zinc/68/24/96/945682496.db2.gz SWVSEVMODLDBHZ-LPWJVIDDSA-N -1 1 386.460 0.951 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571273313 945683762 /nfs/dbraw/zinc/68/37/62/945683762.db2.gz VJJLNLBAVUWELC-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571273313 945683765 /nfs/dbraw/zinc/68/37/65/945683765.db2.gz VJJLNLBAVUWELC-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCOCC1 ZINC001571273395 945686617 /nfs/dbraw/zinc/68/66/17/945686617.db2.gz WYGSBBZCKCTPFY-KBPBESRZSA-N -1 1 386.460 0.806 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCOCC1 ZINC001571273395 945686627 /nfs/dbraw/zinc/68/66/27/945686627.db2.gz WYGSBBZCKCTPFY-KBPBESRZSA-N -1 1 386.460 0.806 20 0 GCADMM O=C(CC1CCOCC1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273462 945687700 /nfs/dbraw/zinc/68/77/00/945687700.db2.gz XWJIYSMTDRSWHC-KBPBESRZSA-N -1 1 386.460 0.592 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)CC3(O)CCC3)C[C@H]2C)n1 ZINC001571273408 945687804 /nfs/dbraw/zinc/68/78/04/945687804.db2.gz XAWIVOJVTUBUGA-YPMHNXCESA-N -1 1 386.460 0.919 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)CC3(O)CCC3)C[C@H]2C)n1 ZINC001571273408 945687812 /nfs/dbraw/zinc/68/78/12/945687812.db2.gz XAWIVOJVTUBUGA-YPMHNXCESA-N -1 1 386.460 0.919 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ncc(F)cc1F ZINC001571274119 945692463 /nfs/dbraw/zinc/69/24/63/945692463.db2.gz BKKRVAYZAXFVIB-WPRPVWTQSA-N -1 1 387.354 0.467 20 0 GCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@H]1CCCN(CCO)C1=O ZINC001571274125 945692905 /nfs/dbraw/zinc/69/29/05/945692905.db2.gz BXDFNJSWDVLBDK-LURJTMIESA-N -1 1 386.825 0.081 20 0 GCADMM O=C(c1c(F)cncc1F)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571274403 945696606 /nfs/dbraw/zinc/69/66/06/945696606.db2.gz GMSYFRLTUYTVFA-SECBINFHSA-N -1 1 387.354 0.904 20 0 GCADMM O=C(c1c(F)cncc1F)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571274403 945696612 /nfs/dbraw/zinc/69/66/12/945696612.db2.gz GMSYFRLTUYTVFA-SECBINFHSA-N -1 1 387.354 0.904 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2c(F)cncc2F)C1 ZINC001571274387 945696772 /nfs/dbraw/zinc/69/67/72/945696772.db2.gz GJUJWJXUUQBGMN-SECBINFHSA-N -1 1 387.354 0.681 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2c(F)cncc2F)C1 ZINC001571274387 945696776 /nfs/dbraw/zinc/69/67/76/945696776.db2.gz GJUJWJXUUQBGMN-SECBINFHSA-N -1 1 387.354 0.681 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571274806 945701438 /nfs/dbraw/zinc/70/14/38/945701438.db2.gz LNTSSONDONRFRX-INIZCTEOSA-N -1 1 387.379 0.203 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571274806 945701441 /nfs/dbraw/zinc/70/14/41/945701441.db2.gz LNTSSONDONRFRX-INIZCTEOSA-N -1 1 387.379 0.203 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001571275423 945707420 /nfs/dbraw/zinc/70/74/20/945707420.db2.gz TWIHRZFNFVOBNL-UHFFFAOYSA-N -1 1 387.375 0.953 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571275423 945707423 /nfs/dbraw/zinc/70/74/23/945707423.db2.gz TWIHRZFNFVOBNL-UHFFFAOYSA-N -1 1 387.375 0.953 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571275756 945713381 /nfs/dbraw/zinc/71/33/81/945713381.db2.gz BXHRHHRKSUBENZ-CHWSQXEVSA-N -1 1 386.460 0.402 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571275761 945714653 /nfs/dbraw/zinc/71/46/53/945714653.db2.gz BXXWQKPSNXZLFP-IGQOVBAYSA-N -1 1 386.460 0.591 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571275850 945715298 /nfs/dbraw/zinc/71/52/98/945715298.db2.gz DFUGRXAJKSLFBZ-CYBMUJFWSA-N -1 1 386.460 0.493 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571275804 945715998 /nfs/dbraw/zinc/71/59/98/945715998.db2.gz CSTQXVQAXXKFDD-CZXHOFHRSA-N -1 1 386.460 0.951 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571275804 945716005 /nfs/dbraw/zinc/71/60/05/945716005.db2.gz CSTQXVQAXXKFDD-CZXHOFHRSA-N -1 1 386.460 0.951 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571275805 945716169 /nfs/dbraw/zinc/71/61/69/945716169.db2.gz CSTQXVQAXXKFDD-GFQSEFKGSA-N -1 1 386.460 0.951 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571275805 945716172 /nfs/dbraw/zinc/71/61/72/945716172.db2.gz CSTQXVQAXXKFDD-GFQSEFKGSA-N -1 1 386.460 0.951 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571275920 945718735 /nfs/dbraw/zinc/71/87/35/945718735.db2.gz FTACZRBPQHKVEP-DZGCQCFKSA-N -1 1 386.460 0.817 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571275920 945718739 /nfs/dbraw/zinc/71/87/39/945718739.db2.gz FTACZRBPQHKVEP-DZGCQCFKSA-N -1 1 386.460 0.817 20 0 GCADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001571275888 945718815 /nfs/dbraw/zinc/71/88/15/945718815.db2.gz DZQUJJOYLBRKNL-MGPQQGTHSA-N -1 1 386.460 0.804 20 0 GCADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001571275888 945718819 /nfs/dbraw/zinc/71/88/19/945718819.db2.gz DZQUJJOYLBRKNL-MGPQQGTHSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571275874 945718944 /nfs/dbraw/zinc/71/89/44/945718944.db2.gz DWCOZWAWVUWITN-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571275874 945718952 /nfs/dbraw/zinc/71/89/52/945718952.db2.gz DWCOZWAWVUWITN-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@](O)(CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001571275857 945719097 /nfs/dbraw/zinc/71/90/97/945719097.db2.gz DJDOHDAESGMTMH-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@](O)(CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001571275857 945719102 /nfs/dbraw/zinc/71/91/02/945719102.db2.gz DJDOHDAESGMTMH-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCOCC1 ZINC001571276132 945725579 /nfs/dbraw/zinc/72/55/79/945725579.db2.gz HUUCHKSZPSPLQA-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001571276132 945725581 /nfs/dbraw/zinc/72/55/81/945725581.db2.gz HUUCHKSZPSPLQA-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CCOC1CC(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571276552 945732348 /nfs/dbraw/zinc/73/23/48/945732348.db2.gz IDXZQMBJPMUGMQ-AEBJDNRDSA-N -1 1 386.460 0.733 20 0 GCADMM CN(C(=O)c1coc(C(N)=O)c1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571277024 945738851 /nfs/dbraw/zinc/73/88/51/945738851.db2.gz NAFVHJURIVAWRN-UHFFFAOYSA-N -1 1 387.425 0.577 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)[C@H]2CCCO2)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571277458 945742802 /nfs/dbraw/zinc/74/28/02/945742802.db2.gz KOSGESRSLZJGMP-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)[C@H]2CCCO2)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571277458 945742810 /nfs/dbraw/zinc/74/28/10/945742810.db2.gz KOSGESRSLZJGMP-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM COc1ncc(NC(=O)N2CCC3(CNC(=O)N3C)CC2)cc1-c1nn[n-]n1 ZINC001571278104 945748894 /nfs/dbraw/zinc/74/88/94/945748894.db2.gz VXCUYEHQXOXTJI-UHFFFAOYSA-N -1 1 387.404 0.292 20 0 GCADMM CC1CCC(C)(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)CC1 ZINC001571278486 945753368 /nfs/dbraw/zinc/75/33/68/945753368.db2.gz ODOCBSVFZOGSRZ-JWOUMNJPSA-N -1 1 386.460 0.539 20 0 GCADMM CC1CCC(C)(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)CC1 ZINC001571278486 945753374 /nfs/dbraw/zinc/75/33/74/945753374.db2.gz ODOCBSVFZOGSRZ-JWOUMNJPSA-N -1 1 386.460 0.539 20 0 GCADMM CCOC1CC(CC(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001571278539 945755706 /nfs/dbraw/zinc/75/57/06/945755706.db2.gz PDUMKVUBITXFNU-UHFFFAOYSA-N -1 1 386.460 0.947 20 0 GCADMM CCOC1CC(CC(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001571278539 945755712 /nfs/dbraw/zinc/75/57/12/945755712.db2.gz PDUMKVUBITXFNU-UHFFFAOYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571278633 945756337 /nfs/dbraw/zinc/75/63/37/945756337.db2.gz PVAIYCYIUOVSHR-JSGCOSHPSA-N -1 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/nfs/dbraw/zinc/04/66/32/946046632.db2.gz NHXWFRRAXPZSIL-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573471235 946046645 /nfs/dbraw/zinc/04/66/45/946046645.db2.gz NHXWFRRAXPZSIL-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571290579 946047748 /nfs/dbraw/zinc/04/77/48/946047748.db2.gz JFIASGZBBJSZFH-PSASIEDQSA-N -1 1 388.823 0.616 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571290579 946047761 /nfs/dbraw/zinc/04/77/61/946047761.db2.gz JFIASGZBBJSZFH-PSASIEDQSA-N -1 1 388.823 0.616 20 0 GCADMM CCn1ncc(Cl)c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290570 946048155 /nfs/dbraw/zinc/04/81/55/946048155.db2.gz IZMGORQXINQYPN-SECBINFHSA-N -1 1 388.823 0.275 20 0 GCADMM Cn1nc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1Cl ZINC001571290636 946052184 /nfs/dbraw/zinc/05/21/84/946052184.db2.gz KORDXRMOCXOJPE-DTORHVGOSA-N -1 1 388.823 0.086 20 0 GCADMM Cn1ncc(Cl)c1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571290767 946054246 /nfs/dbraw/zinc/05/42/46/946054246.db2.gz OHUMOVPSDDEDOE-UHFFFAOYSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1ncc(Cl)c1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571290767 946054259 /nfs/dbraw/zinc/05/42/59/946054259.db2.gz OHUMOVPSDDEDOE-UHFFFAOYSA-N -1 1 388.823 0.442 20 0 GCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cn(C)nc1Cl ZINC001571290919 946058835 /nfs/dbraw/zinc/05/88/35/946058835.db2.gz UTNCNZJTJFBXJJ-PSASIEDQSA-N -1 1 388.823 0.298 20 0 GCADMM CCn1ncc(Cl)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290879 946061013 /nfs/dbraw/zinc/06/10/13/946061013.db2.gz RXDSFAYEPFZGKH-SECBINFHSA-N -1 1 388.823 0.535 20 0 GCADMM CCn1ncc(Cl)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290879 946061025 /nfs/dbraw/zinc/06/10/25/946061025.db2.gz RXDSFAYEPFZGKH-SECBINFHSA-N -1 1 388.823 0.535 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573472330 946063631 /nfs/dbraw/zinc/06/36/31/946063631.db2.gz VNHNHTNLDHUVSN-AAEUAGOBSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573472330 946063642 /nfs/dbraw/zinc/06/36/42/946063642.db2.gz VNHNHTNLDHUVSN-AAEUAGOBSA-N -1 1 387.448 0.283 20 0 GCADMM Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571291036 946066308 /nfs/dbraw/zinc/06/63/08/946066308.db2.gz YPOGRPMNTWIECK-SECBINFHSA-N -1 1 388.823 0.361 20 0 GCADMM Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571291036 946066324 /nfs/dbraw/zinc/06/63/24/946066324.db2.gz YPOGRPMNTWIECK-SECBINFHSA-N -1 1 388.823 0.361 20 0 GCADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c1 ZINC001571291187 946071002 /nfs/dbraw/zinc/07/10/02/946071002.db2.gz FSWPJROEDQZOGF-CYBMUJFWSA-N -1 1 389.393 0.692 20 0 GCADMM COc1ncc(NC(=O)c2cc(C)ccc2S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC001571291597 946077116 /nfs/dbraw/zinc/07/71/16/946077116.db2.gz MJTKLOPVDNEOPC-UHFFFAOYSA-N -1 1 389.397 0.478 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573473336 946078620 /nfs/dbraw/zinc/07/86/20/946078620.db2.gz BNYWWXNNNJMEAO-WZRBSPASSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573473336 946078633 /nfs/dbraw/zinc/07/86/33/946078633.db2.gz BNYWWXNNNJMEAO-WZRBSPASSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573473490 946078662 /nfs/dbraw/zinc/07/86/62/946078662.db2.gz DMRFFLXAQXVOKO-JQWIXIFHSA-N -1 1 392.489 0.949 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573474609 946090828 /nfs/dbraw/zinc/09/08/28/946090828.db2.gz LQCFJUGOEANFGU-JLLWLGSASA-N -1 1 390.473 0.051 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573474610 946092215 /nfs/dbraw/zinc/09/22/15/946092215.db2.gz LQCFJUGOEANFGU-ZMLRMANQSA-N -1 1 390.473 0.051 20 0 GCADMM COCCc1noc(CN(C)C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)n1 ZINC001571292409 946094961 /nfs/dbraw/zinc/09/49/61/946094961.db2.gz YZYDTDXWJDQDQJ-UHFFFAOYSA-N -1 1 389.376 0.506 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573474799 946095546 /nfs/dbraw/zinc/09/55/46/946095546.db2.gz NSEQDVPDBVEWPG-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM Cc1nnc(Sc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)n1C1CCCCC1 ZINC001571293254 946099151 /nfs/dbraw/zinc/09/91/51/946099151.db2.gz CKTRBZYGERFTCQ-UHFFFAOYSA-N -1 1 389.445 0.810 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571293251 946099265 /nfs/dbraw/zinc/09/92/65/946099265.db2.gz CFOFVPUHIWCPOH-RDBSUJKOSA-N -1 1 389.423 0.256 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571293251 946099275 /nfs/dbraw/zinc/09/92/75/946099275.db2.gz CFOFVPUHIWCPOH-RDBSUJKOSA-N -1 1 389.423 0.256 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573475363 946100683 /nfs/dbraw/zinc/10/06/83/946100683.db2.gz RWFCRJUJDJYDDC-NQBHXWOUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573475363 946100690 /nfs/dbraw/zinc/10/06/90/946100690.db2.gz RWFCRJUJDJYDDC-NQBHXWOUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573475368 946100780 /nfs/dbraw/zinc/10/07/80/946100780.db2.gz SDQCQWZUTJVKBL-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573475368 946100784 /nfs/dbraw/zinc/10/07/84/946100784.db2.gz SDQCQWZUTJVKBL-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM Cc1nsc(N[C@H]2CCCN(C(=O)CCn3cnnn3)C2)c1-c1nn[n-]n1 ZINC001571293351 946103737 /nfs/dbraw/zinc/10/37/37/946103737.db2.gz GCUIWQSBDGOMTM-JTQLQIEISA-N -1 1 389.449 0.111 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573475787 946106765 /nfs/dbraw/zinc/10/67/65/946106765.db2.gz ATHSECUAXYBFOI-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573475787 946106770 /nfs/dbraw/zinc/10/67/70/946106770.db2.gz ATHSECUAXYBFOI-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC[C@H](F)C(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571293514 946108161 /nfs/dbraw/zinc/10/81/61/946108161.db2.gz KBICLJZCIMPSDQ-OLZOCXBDSA-N -1 1 389.439 0.128 20 0 GCADMM CC[C@H](F)C(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571293514 946108169 /nfs/dbraw/zinc/10/81/69/946108169.db2.gz KBICLJZCIMPSDQ-OLZOCXBDSA-N -1 1 389.439 0.128 20 0 GCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001571293601 946110565 /nfs/dbraw/zinc/11/05/65/946110565.db2.gz MHHWMQPXSLFBRH-MGCOHNPYSA-N -1 1 389.434 0.168 20 0 GCADMM CC[C@H](F)C(=O)N1CCN([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571293832 946118274 /nfs/dbraw/zinc/11/82/74/946118274.db2.gz SUISTENYRGIHTP-STQMWFEESA-N -1 1 389.439 0.128 20 0 GCADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)c1-c1nn[n-]n1 ZINC001571294070 946125093 /nfs/dbraw/zinc/12/50/93/946125093.db2.gz ZNIDHYBSFMBYBR-SECBINFHSA-N -1 1 389.445 0.422 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cc(Cl)c[nH]1 ZINC001571294421 946133413 /nfs/dbraw/zinc/13/34/13/946133413.db2.gz FKDGPXNRZHCZMZ-ONGXEEELSA-N -1 1 389.807 0.008 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)CC(C)C ZINC001573477342 946133627 /nfs/dbraw/zinc/13/36/27/946133627.db2.gz OTTQDLNTOJVYNX-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)CC(C)C ZINC001573477342 946133632 /nfs/dbraw/zinc/13/36/32/946133632.db2.gz OTTQDLNTOJVYNX-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 ZINC000822609493 946138166 /nfs/dbraw/zinc/13/81/66/946138166.db2.gz OCADESWKHJUFED-SNVBAGLBSA-N -1 1 375.437 0.759 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 ZINC000822609493 946138174 /nfs/dbraw/zinc/13/81/74/946138174.db2.gz OCADESWKHJUFED-SNVBAGLBSA-N -1 1 375.437 0.759 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573477845 946142518 /nfs/dbraw/zinc/14/25/18/946142518.db2.gz URCUJTIUEDDTQH-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573477845 946142524 /nfs/dbraw/zinc/14/25/24/946142524.db2.gz URCUJTIUEDDTQH-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM O=C(c1ccn(CC(F)F)n1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571294800 946144842 /nfs/dbraw/zinc/14/48/42/946144842.db2.gz MGPNVULETDISDQ-SECBINFHSA-N -1 1 390.358 0.445 20 0 GCADMM O=C(c1ccn(CC(F)F)n1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571294800 946144848 /nfs/dbraw/zinc/14/48/48/946144848.db2.gz MGPNVULETDISDQ-SECBINFHSA-N -1 1 390.358 0.445 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001573478247 946145803 /nfs/dbraw/zinc/14/58/03/946145803.db2.gz WEHHVWMBFLBEBX-GXSJLCMTSA-N -1 1 392.489 0.487 20 0 GCADMM O=C(CC1CC(F)(F)C1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571294865 946147892 /nfs/dbraw/zinc/14/78/92/946147892.db2.gz OCPCLDLGHDYVFN-TXEJJXNPSA-N -1 1 390.398 0.987 20 0 GCADMM O=C(CC1CC(F)(F)C1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571294865 946147897 /nfs/dbraw/zinc/14/78/97/946147897.db2.gz OCPCLDLGHDYVFN-TXEJJXNPSA-N -1 1 390.398 0.987 20 0 GCADMM O=C(c1c(O)cccc1Cl)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571295015 946149440 /nfs/dbraw/zinc/14/94/40/946149440.db2.gz NPEGOQXRMMITSA-UHFFFAOYSA-N -1 1 389.759 0.185 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573478768 946150548 /nfs/dbraw/zinc/15/05/48/946150548.db2.gz YJAHJUAEAHBHFV-NKWVEPMBSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573478768 946150558 /nfs/dbraw/zinc/15/05/58/946150558.db2.gz YJAHJUAEAHBHFV-NKWVEPMBSA-N -1 1 386.869 0.665 20 0 GCADMM O=C(c1csc(Cl)n1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571295188 946156482 /nfs/dbraw/zinc/15/64/82/946156482.db2.gz VLRRDNCMTXRVLU-YUMQZZPRSA-N -1 1 389.832 0.870 20 0 GCADMM O=C(c1csc(Cl)n1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571295188 946156488 /nfs/dbraw/zinc/15/64/88/946156488.db2.gz VLRRDNCMTXRVLU-YUMQZZPRSA-N -1 1 389.832 0.870 20 0 GCADMM COc1cc(F)ccc1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571295388 946162091 /nfs/dbraw/zinc/16/20/91/946162091.db2.gz ZLZYWARYTAKREP-UHFFFAOYSA-N -1 1 390.335 0.098 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001573479641 946166279 /nfs/dbraw/zinc/16/62/79/946166279.db2.gz GOTIRVSXDAUKTA-VIFPVBQESA-N -1 1 378.462 0.607 20 0 GCADMM O=C(NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCC(F)CC1 ZINC001571295645 946168387 /nfs/dbraw/zinc/16/83/87/946168387.db2.gz APFRSDWLFPMMON-BPCQOVAHSA-N -1 1 390.423 0.506 20 0 GCADMM CC[C@@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001571295792 946173716 /nfs/dbraw/zinc/17/37/16/946173716.db2.gz GFLHGXFDCXSZBI-CYBMUJFWSA-N -1 1 390.448 0.787 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573480886 946177001 /nfs/dbraw/zinc/17/70/01/946177001.db2.gz MIQDJYVOCOUDQT-ZCFIWIBFSA-N -1 1 384.853 0.562 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573480886 946177013 /nfs/dbraw/zinc/17/70/13/946177013.db2.gz MIQDJYVOCOUDQT-ZCFIWIBFSA-N -1 1 384.853 0.562 20 0 GCADMM Cc1nsc(NC[C@H]2CN(C(=O)c3cocn3)CCCO2)c1-c1nn[n-]n1 ZINC001571295850 946177788 /nfs/dbraw/zinc/17/77/88/946177788.db2.gz HNKGBGXSKSBONX-JTQLQIEISA-N -1 1 390.429 0.963 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2snc(C)c2-c2nn[n-]n2)on1 ZINC001571296214 946186499 /nfs/dbraw/zinc/18/64/99/946186499.db2.gz QVGWWIHOMXXGJS-SNVBAGLBSA-N -1 1 390.429 0.563 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573481859 946187188 /nfs/dbraw/zinc/18/71/88/946187188.db2.gz SDSCADLXJMZGKU-MWLCHTKSSA-N -1 1 378.462 0.099 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573481858 946187909 /nfs/dbraw/zinc/18/79/09/946187909.db2.gz SDSCADLXJMZGKU-KOLCDFICSA-N -1 1 378.462 0.099 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccc(F)s1 ZINC001571296341 946192659 /nfs/dbraw/zinc/19/26/59/946192659.db2.gz VGGPWRUMSILRST-IUCAKERBSA-N -1 1 390.404 0.227 20 0 GCADMM COc1cn(C)nc1[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001571296352 946192801 /nfs/dbraw/zinc/19/28/01/946192801.db2.gz VLRDRZAUFVGVES-ZETCQYMHSA-N -1 1 390.429 0.922 20 0 GCADMM O=C(N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@]1(F)CCOC1 ZINC001571296403 946194195 /nfs/dbraw/zinc/19/41/95/946194195.db2.gz XAZFQCOFHWGSSM-PXAZEXFGSA-N -1 1 390.423 0.390 20 0 GCADMM CC(=O)N1CC(C(=O)NC2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001571298004 946203274 /nfs/dbraw/zinc/20/32/74/946203274.db2.gz GWKWCRVQHOFYNO-UHFFFAOYSA-N -1 1 390.473 0.195 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571298102 946205438 /nfs/dbraw/zinc/20/54/38/946205438.db2.gz JOJNFGIADARQHE-MXWKQRLJSA-N -1 1 390.473 0.384 20 0 GCADMM NC(=O)c1cccc2c1CCN(S(=O)(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001571298353 946214067 /nfs/dbraw/zinc/21/40/67/946214067.db2.gz FGJVYGZVQRJTEJ-UHFFFAOYSA-N -1 1 390.450 0.774 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573485900 946235130 /nfs/dbraw/zinc/23/51/30/946235130.db2.gz AXXNGTPVFOTTKO-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573485900 946235139 /nfs/dbraw/zinc/23/51/39/946235139.db2.gz AXXNGTPVFOTTKO-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573485895 946235223 /nfs/dbraw/zinc/23/52/23/946235223.db2.gz AXXNGTPVFOTTKO-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573485895 946235234 /nfs/dbraw/zinc/23/52/34/946235234.db2.gz AXXNGTPVFOTTKO-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573485902 946235744 /nfs/dbraw/zinc/23/57/44/946235744.db2.gz AXXNGTPVFOTTKO-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573485902 946235755 /nfs/dbraw/zinc/23/57/55/946235755.db2.gz AXXNGTPVFOTTKO-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001571299071 946238240 /nfs/dbraw/zinc/23/82/40/946238240.db2.gz UEOTVBQBTRGXLW-ZWNOBZJWSA-N -1 1 390.469 0.676 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)c3ccoc3Cl)C2)n1 ZINC001571299087 946239018 /nfs/dbraw/zinc/23/90/18/946239018.db2.gz IKCJWULPDFWDMF-GHMZBOCLSA-N -1 1 390.791 0.191 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)c3ccoc3Cl)C2)n1 ZINC001571299087 946239029 /nfs/dbraw/zinc/23/90/29/946239029.db2.gz IKCJWULPDFWDMF-GHMZBOCLSA-N -1 1 390.791 0.191 20 0 GCADMM O=C([C@@H]1CCc2ccccc2C1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299433 946252016 /nfs/dbraw/zinc/25/20/16/946252016.db2.gz RDCIHXLOBNZLQD-CVEARBPZSA-N -1 1 390.451 0.897 20 0 GCADMM Cc1nsc(N2CC[C@H](CNC(=O)[C@H]3CC(=O)N(C)C3)C2)c1-c1nn[n-]n1 ZINC001571299538 946252861 /nfs/dbraw/zinc/25/28/61/946252861.db2.gz WSLJOIPATNXCSN-MNOVXSKESA-N -1 1 390.473 0.052 20 0 GCADMM Cc1nsc(N[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)NC3)C2)c1-c1nn[n-]n1 ZINC001571299560 946254063 /nfs/dbraw/zinc/25/40/63/946254063.db2.gz XDQUHVRWMYBGAU-WDEREUQCSA-N -1 1 390.473 0.561 20 0 GCADMM Cc1nsc(N(C)C[C@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)c1-c1nn[n-]n1 ZINC001571299596 946256463 /nfs/dbraw/zinc/25/64/63/946256463.db2.gz YIJMLVYHPRCJJV-MNOVXSKESA-N -1 1 390.473 0.337 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573487865 946258424 /nfs/dbraw/zinc/25/84/24/946258424.db2.gz UZQDYVUEEHROAC-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573487865 946258431 /nfs/dbraw/zinc/25/84/31/946258431.db2.gz UZQDYVUEEHROAC-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571299713 946259017 /nfs/dbraw/zinc/25/90/17/946259017.db2.gz ZLJMLCZKPDLRBF-FBIMIBRVSA-N -1 1 390.473 0.417 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488667 946272636 /nfs/dbraw/zinc/27/26/36/946272636.db2.gz HZEMYBVFAOBCPT-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488695 946272747 /nfs/dbraw/zinc/27/27/47/946272747.db2.gz JAENLJXSPFRSMB-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488695 946272752 /nfs/dbraw/zinc/27/27/52/946272752.db2.gz JAENLJXSPFRSMB-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488663 946273117 /nfs/dbraw/zinc/27/31/17/946273117.db2.gz HVFMBWZHCWSTNX-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488663 946273130 /nfs/dbraw/zinc/27/31/30/946273130.db2.gz HVFMBWZHCWSTNX-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573488716 946275794 /nfs/dbraw/zinc/27/57/94/946275794.db2.gz KEMQIFAABXGMNW-SECBINFHSA-N -1 1 392.489 0.997 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488826 946278623 /nfs/dbraw/zinc/27/86/23/946278623.db2.gz NCHBMMZZAKPRIK-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488826 946278633 /nfs/dbraw/zinc/27/86/33/946278633.db2.gz NCHBMMZZAKPRIK-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ocnc2C(F)F)C1 ZINC001571301721 946280082 /nfs/dbraw/zinc/28/00/82/946280082.db2.gz BAQPQTLUVUBHPK-QMMMGPOBSA-N -1 1 391.342 0.933 20 0 GCADMM COCc1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)s1 ZINC001571301705 946281335 /nfs/dbraw/zinc/28/13/35/946281335.db2.gz AHDVAVAZZGLCAQ-UHFFFAOYSA-N -1 1 391.417 0.282 20 0 GCADMM COCc1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)s1 ZINC001571301705 946281341 /nfs/dbraw/zinc/28/13/41/946281341.db2.gz AHDVAVAZZGLCAQ-UHFFFAOYSA-N -1 1 391.417 0.282 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573489015 946282184 /nfs/dbraw/zinc/28/21/84/946282184.db2.gz UFRDHNFKPZBZRQ-WDEREUQCSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573489015 946282191 /nfs/dbraw/zinc/28/21/91/946282191.db2.gz UFRDHNFKPZBZRQ-WDEREUQCSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573488960 946282743 /nfs/dbraw/zinc/28/27/43/946282743.db2.gz RHGKAYHKDKWFRB-CQSZACIVSA-N -1 1 397.374 0.896 20 0 GCADMM CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573488960 946282749 /nfs/dbraw/zinc/28/27/49/946282749.db2.gz RHGKAYHKDKWFRB-CQSZACIVSA-N -1 1 397.374 0.896 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573488969 946282775 /nfs/dbraw/zinc/28/27/75/946282775.db2.gz RPMMYWOYTQPXIR-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573488969 946282782 /nfs/dbraw/zinc/28/27/82/946282782.db2.gz RPMMYWOYTQPXIR-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573489057 946284338 /nfs/dbraw/zinc/28/43/38/946284338.db2.gz VYMBJTFGZGIHKP-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573489057 946284347 /nfs/dbraw/zinc/28/43/47/946284347.db2.gz VYMBJTFGZGIHKP-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001571302034 946290243 /nfs/dbraw/zinc/29/02/43/946290243.db2.gz MDTJNBONTDCZGW-NSHDSACASA-N -1 1 391.413 0.195 20 0 GCADMM Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001571302034 946290254 /nfs/dbraw/zinc/29/02/54/946290254.db2.gz MDTJNBONTDCZGW-NSHDSACASA-N -1 1 391.413 0.195 20 0 GCADMM Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001571302033 946290599 /nfs/dbraw/zinc/29/05/99/946290599.db2.gz MDTJNBONTDCZGW-LLVKDONJSA-N -1 1 391.413 0.195 20 0 GCADMM Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001571302033 946290605 /nfs/dbraw/zinc/29/06/05/946290605.db2.gz MDTJNBONTDCZGW-LLVKDONJSA-N -1 1 391.413 0.195 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CN1CCC(F)(F)F ZINC001571302176 946295527 /nfs/dbraw/zinc/29/55/27/946295527.db2.gz QJMZHZPGYUPWGM-UHFFFAOYSA-N -1 1 391.335 0.005 20 0 GCADMM COC(=O)[C@@H]1[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)C1(F)F ZINC001571302183 946295803 /nfs/dbraw/zinc/29/58/03/946295803.db2.gz QMTBPGZZECLBIR-WPRPVWTQSA-N -1 1 391.331 0.338 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)c1cocn1 ZINC001571302261 946298777 /nfs/dbraw/zinc/29/87/77/946298777.db2.gz SKCXUUIFLXJHPG-SECBINFHSA-N -1 1 391.342 0.536 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)c1cocn1 ZINC001571302261 946298787 /nfs/dbraw/zinc/29/87/87/946298787.db2.gz SKCXUUIFLXJHPG-SECBINFHSA-N -1 1 391.342 0.536 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573494346 946300331 /nfs/dbraw/zinc/30/03/31/946300331.db2.gz LDGCQEBVCZESKA-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573494346 946300345 /nfs/dbraw/zinc/30/03/45/946300345.db2.gz LDGCQEBVCZESKA-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM COC(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(S(C)(=O)=O)c1 ZINC001571302436 946303089 /nfs/dbraw/zinc/30/30/89/946303089.db2.gz XVPUJYJYBTZIDB-UHFFFAOYSA-N -1 1 391.365 0.902 20 0 GCADMM COC(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(S(C)(=O)=O)c1 ZINC001571302436 946303100 /nfs/dbraw/zinc/30/31/00/946303100.db2.gz XVPUJYJYBTZIDB-UHFFFAOYSA-N -1 1 391.365 0.902 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571302560 946308320 /nfs/dbraw/zinc/30/83/20/946308320.db2.gz BEZDGGNZYGFWKK-UONOGXRCSA-N -1 1 391.439 0.870 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571302560 946308328 /nfs/dbraw/zinc/30/83/28/946308328.db2.gz BEZDGGNZYGFWKK-UONOGXRCSA-N -1 1 391.439 0.870 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2cccnc21 ZINC001571302837 946315700 /nfs/dbraw/zinc/31/57/00/946315700.db2.gz HDNOQOPRPCEEIC-YUTCNCBUSA-N -1 1 391.439 0.510 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571302887 946318849 /nfs/dbraw/zinc/31/88/49/946318849.db2.gz IMTYYSZPYVLQTH-SOUVJXGZSA-N -1 1 391.439 0.940 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571302887 946318864 /nfs/dbraw/zinc/31/88/64/946318864.db2.gz IMTYYSZPYVLQTH-SOUVJXGZSA-N -1 1 391.439 0.940 20 0 GCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@H]1CCc2cccnc21 ZINC001571302980 946321058 /nfs/dbraw/zinc/32/10/58/946321058.db2.gz GOEWBVKUFRNMOL-KWCYVHTRSA-N -1 1 391.439 0.723 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000823123190 946325045 /nfs/dbraw/zinc/32/50/45/946325045.db2.gz RGVRTFLHFZASNS-CQSZACIVSA-N -1 1 386.391 0.805 20 0 GCADMM CN(CC1(O)CCCCCC1)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571303133 946325605 /nfs/dbraw/zinc/32/56/05/946325605.db2.gz IDAJNIJOWNYMMF-UHFFFAOYSA-N -1 1 391.432 0.063 20 0 GCADMM CC(=O)NCC(=O)N(C)[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573496858 946332576 /nfs/dbraw/zinc/33/25/76/946332576.db2.gz FBHCDWLXLNAPJD-LLVKDONJSA-N -1 1 378.462 0.417 20 0 GCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@H]1Cc2cccnc2C1 ZINC001571303433 946337387 /nfs/dbraw/zinc/33/73/87/946337387.db2.gz QUSONIVDYAWEBG-UONOGXRCSA-N -1 1 391.439 0.552 20 0 GCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@H]1Cc2cccnc2C1 ZINC001571303433 946337393 /nfs/dbraw/zinc/33/73/93/946337393.db2.gz QUSONIVDYAWEBG-UONOGXRCSA-N -1 1 391.439 0.552 20 0 GCADMM CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573497274 946345928 /nfs/dbraw/zinc/34/59/28/946345928.db2.gz OXHOIHBIGFEHOV-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303750 946347213 /nfs/dbraw/zinc/34/72/13/946347213.db2.gz XAPOAVBTHBBVQT-KGLIPLIRSA-N -1 1 391.439 0.292 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1 ZINC001571304082 946358720 /nfs/dbraw/zinc/35/87/20/946358720.db2.gz XPWMYWUIUBEZJQ-CQSZACIVSA-N -1 1 391.439 0.821 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1 ZINC001571304082 946358728 /nfs/dbraw/zinc/35/87/28/946358728.db2.gz XPWMYWUIUBEZJQ-CQSZACIVSA-N -1 1 391.439 0.821 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573499777 946369381 /nfs/dbraw/zinc/36/93/81/946369381.db2.gz GESVOXXMMNISGN-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573499777 946369390 /nfs/dbraw/zinc/36/93/90/946369390.db2.gz GESVOXXMMNISGN-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573499747 946369590 /nfs/dbraw/zinc/36/95/90/946369590.db2.gz GBLTYYZTVHFJKI-UHFFFAOYSA-N -1 1 386.869 0.397 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573499699 946370236 /nfs/dbraw/zinc/37/02/36/946370236.db2.gz FNEDEJGRBAUNSF-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573499699 946370246 /nfs/dbraw/zinc/37/02/46/946370246.db2.gz FNEDEJGRBAUNSF-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CCC(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC001571305740 946373326 /nfs/dbraw/zinc/37/33/26/946373326.db2.gz BIBIEJVKRGNLQZ-UHFFFAOYSA-N -1 1 391.457 0.820 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573500383 946373724 /nfs/dbraw/zinc/37/37/24/946373724.db2.gz IOADZDRGSXZNOV-SVRRBLITSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573500381 946375044 /nfs/dbraw/zinc/37/50/44/946375044.db2.gz IOADZDRGSXZNOV-POYBYMJQSA-N -1 1 384.853 0.372 20 0 GCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)Nc1cc(Cl)c2c(c1)OCCO2 ZINC001571306002 946384383 /nfs/dbraw/zinc/38/43/83/946384383.db2.gz NOLTVSJCRKYMMO-UHFFFAOYSA-N -1 1 391.779 0.705 20 0 GCADMM O=C(N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O)c1ccccc1 ZINC001571306583 946405499 /nfs/dbraw/zinc/40/54/99/946405499.db2.gz XYJBHMOCRMLCES-NXEZZACHSA-N -1 1 391.844 0.956 20 0 GCADMM O=C(N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O)c1ccccc1 ZINC001571306583 946405506 /nfs/dbraw/zinc/40/55/06/946405506.db2.gz XYJBHMOCRMLCES-NXEZZACHSA-N -1 1 391.844 0.956 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573504613 946410967 /nfs/dbraw/zinc/41/09/67/946410967.db2.gz HTWDCVWETQROJZ-YGRLFVJLSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573504613 946410970 /nfs/dbraw/zinc/41/09/70/946410970.db2.gz HTWDCVWETQROJZ-YGRLFVJLSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC(CCNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573504830 946415812 /nfs/dbraw/zinc/41/58/12/946415812.db2.gz LCLGKKKRMKRQMY-UHFFFAOYSA-N -1 1 392.489 0.808 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573505168 946417617 /nfs/dbraw/zinc/41/76/17/946417617.db2.gz KICJKQDPLILXEG-MRVPVSSYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573505168 946417620 /nfs/dbraw/zinc/41/76/20/946417620.db2.gz KICJKQDPLILXEG-MRVPVSSYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001573505177 946419509 /nfs/dbraw/zinc/41/95/09/946419509.db2.gz KIIFRNDZOYEEHD-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001573505177 946419515 /nfs/dbraw/zinc/41/95/15/946419515.db2.gz KIIFRNDZOYEEHD-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC001571307592 946425628 /nfs/dbraw/zinc/42/56/28/946425628.db2.gz FUXXAYRKPCPKOE-UHFFFAOYSA-N -1 1 392.372 0.666 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@H]1C ZINC001573506324 946429864 /nfs/dbraw/zinc/42/98/64/946429864.db2.gz PMZADQMNLBQVJJ-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]1C ZINC001573506324 946429870 /nfs/dbraw/zinc/42/98/70/946429870.db2.gz PMZADQMNLBQVJJ-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM COC(=O)C1=NO[C@@]2(CCN(C(=O)Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001571308613 946435566 /nfs/dbraw/zinc/43/55/66/946435566.db2.gz SJIJIFBQJLDYEX-AWEZNQCLSA-N -1 1 392.401 0.557 20 0 GCADMM COC(=O)C1=NO[C@@]2(CCN(C(=O)Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571308613 946435569 /nfs/dbraw/zinc/43/55/69/946435569.db2.gz SJIJIFBQJLDYEX-AWEZNQCLSA-N -1 1 392.401 0.557 20 0 GCADMM COC(=O)c1cn(C)nc1NC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571309070 946439217 /nfs/dbraw/zinc/43/92/17/946439217.db2.gz WMKBKCPNTKDDSL-UHFFFAOYSA-N -1 1 392.326 0.987 20 0 GCADMM COC(=O)c1cn(C)nc1NC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571309070 946439231 /nfs/dbraw/zinc/43/92/31/946439231.db2.gz WMKBKCPNTKDDSL-UHFFFAOYSA-N -1 1 392.326 0.987 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2COc3ccccc32)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571309524 946446486 /nfs/dbraw/zinc/44/64/86/946446486.db2.gz CJEVBICTARDXJN-YJYMSZOUSA-N -1 1 392.423 0.918 20 0 GCADMM O=C(NCc1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)C2)[C@H]1CCCO1 ZINC001571309497 946446613 /nfs/dbraw/zinc/44/66/13/946446613.db2.gz BOFXTFYSKJRPIW-MRXNPFEDSA-N -1 1 392.423 0.972 20 0 GCADMM O=C(NCc1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)C2)[C@H]1CCCO1 ZINC001571309497 946446619 /nfs/dbraw/zinc/44/66/19/946446619.db2.gz BOFXTFYSKJRPIW-MRXNPFEDSA-N -1 1 392.423 0.972 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573507458 946447242 /nfs/dbraw/zinc/44/72/42/946447242.db2.gz YAQJBEXGZZFGBF-SKDRFNHKSA-N -1 1 392.489 0.664 20 0 GCADMM O=S(=O)(NC[C@@H](CO)Cc1cccnc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571309772 946452384 /nfs/dbraw/zinc/45/23/84/946452384.db2.gz KGGZBQTUQTUSIP-LBPRGKRZSA-N -1 1 392.416 0.530 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2ccccc2O1 ZINC001571309756 946454055 /nfs/dbraw/zinc/45/40/55/946454055.db2.gz JOQYZWXBZWSGRZ-OSAQELSMSA-N -1 1 392.423 0.389 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC001573508308 946455244 /nfs/dbraw/zinc/45/52/44/946455244.db2.gz ZFDPJFOYPVWGSX-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC001573508308 946455255 /nfs/dbraw/zinc/45/52/55/946455255.db2.gz ZFDPJFOYPVWGSX-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM Cc1cccc(OCC(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571309919 946457142 /nfs/dbraw/zinc/45/71/42/946457142.db2.gz PKYAGXQYFBLCJB-KBPBESRZSA-N -1 1 392.423 0.834 20 0 GCADMM Cc1cccc(OCC(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571309919 946457146 /nfs/dbraw/zinc/45/71/46/946457146.db2.gz PKYAGXQYFBLCJB-KBPBESRZSA-N -1 1 392.423 0.834 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573508961 946457402 /nfs/dbraw/zinc/45/74/02/946457402.db2.gz CSTDJZVETSBREV-FZMZJTMJSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573508961 946457405 /nfs/dbraw/zinc/45/74/05/946457405.db2.gz CSTDJZVETSBREV-FZMZJTMJSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573508962 946457445 /nfs/dbraw/zinc/45/74/45/946457445.db2.gz CSTDJZVETSBREV-RISCZKNCSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573508962 946457450 /nfs/dbraw/zinc/45/74/50/946457450.db2.gz CSTDJZVETSBREV-RISCZKNCSA-N -1 1 387.448 0.283 20 0 GCADMM O=C([C@@H]1Cc2ccccc2O1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571309895 946457781 /nfs/dbraw/zinc/45/77/81/946457781.db2.gz OUQDEDWXUYIMFG-HNNXBMFYSA-N -1 1 392.423 0.699 20 0 GCADMM O=C([C@@H]1Cc2ccccc2O1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571309895 946457800 /nfs/dbraw/zinc/45/78/00/946457800.db2.gz OUQDEDWXUYIMFG-HNNXBMFYSA-N -1 1 392.423 0.699 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001573508930 946458260 /nfs/dbraw/zinc/45/82/60/946458260.db2.gz BHQHEQFIZSINKZ-NWDGAFQWSA-N -1 1 390.473 0.195 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ccc2c(c1)CCO2 ZINC001571309991 946459036 /nfs/dbraw/zinc/45/90/36/946459036.db2.gz RJFOTIKJFKPKJJ-IAQYHMDHSA-N -1 1 392.423 0.846 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1ccc2c(c1)CCO2 ZINC001571309991 946459043 /nfs/dbraw/zinc/45/90/43/946459043.db2.gz RJFOTIKJFKPKJJ-IAQYHMDHSA-N -1 1 392.423 0.846 20 0 GCADMM COc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571310021 946459783 /nfs/dbraw/zinc/45/97/83/946459783.db2.gz SAYHAZQHCZZKAI-KBPBESRZSA-N -1 1 392.423 0.698 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2Cc3ccccc3O2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571310181 946463284 /nfs/dbraw/zinc/46/32/84/946463284.db2.gz XRRLMWDFFSPHQG-LIRRHRJNSA-N -1 1 392.423 0.745 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2Cc3ccccc3O2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571310181 946463294 /nfs/dbraw/zinc/46/32/94/946463294.db2.gz XRRLMWDFFSPHQG-LIRRHRJNSA-N -1 1 392.423 0.745 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2Cc3ccccc3O2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571310179 946463457 /nfs/dbraw/zinc/46/34/57/946463457.db2.gz XRRLMWDFFSPHQG-IFXJQAMLSA-N -1 1 392.423 0.745 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2Cc3ccccc3O2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571310179 946463467 /nfs/dbraw/zinc/46/34/67/946463467.db2.gz XRRLMWDFFSPHQG-IFXJQAMLSA-N -1 1 392.423 0.745 20 0 GCADMM C[C@@H]1Cc2cccc(C(=O)N[C@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)c2O1 ZINC001571310185 946463737 /nfs/dbraw/zinc/46/37/37/946463737.db2.gz XSTZEYUQKOEJEW-YPMHNXCESA-N -1 1 392.423 0.989 20 0 GCADMM C[C@@H]1Cc2cccc(C(=O)N[C@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)c2O1 ZINC001571310185 946463745 /nfs/dbraw/zinc/46/37/45/946463745.db2.gz XSTZEYUQKOEJEW-YPMHNXCESA-N -1 1 392.423 0.989 20 0 GCADMM O=C(N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)c1ccccc1O ZINC001571310261 946466029 /nfs/dbraw/zinc/46/60/29/946466029.db2.gz ZVULYLIOHMGTOW-ZIAGYGMSSA-N -1 1 392.423 0.937 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)c1ccccc1O ZINC001571310258 946466701 /nfs/dbraw/zinc/46/67/01/946466701.db2.gz ZVULYLIOHMGTOW-KBPBESRZSA-N -1 1 392.423 0.937 20 0 GCADMM O=C(c1ncccn1)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571310341 946467951 /nfs/dbraw/zinc/46/79/51/946467951.db2.gz BZHYEGBYRKNIHR-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ncccn1)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571310341 946467954 /nfs/dbraw/zinc/46/79/54/946467954.db2.gz BZHYEGBYRKNIHR-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571310567 946476604 /nfs/dbraw/zinc/47/66/04/946476604.db2.gz JCHJMJYVKNHSQR-BJOHPYRUSA-N -1 1 392.445 0.391 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571310965 946481328 /nfs/dbraw/zinc/48/13/28/946481328.db2.gz OMJKTYDSEVLMQH-TZMCWYRMSA-N -1 1 392.439 0.441 20 0 GCADMM Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571311248 946485341 /nfs/dbraw/zinc/48/53/41/946485341.db2.gz UORIGTUQEWTYOI-IVZWLZJFSA-N -1 1 392.445 0.437 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573511400 946485543 /nfs/dbraw/zinc/48/55/43/946485543.db2.gz PEHWPSAVJOXXAL-SKDRFNHKSA-N -1 1 392.489 0.489 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571312414 946491917 /nfs/dbraw/zinc/49/19/17/946491917.db2.gz CFSLPCJFUUUZNP-QWHCGFSZSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)n1 ZINC001571312477 946493251 /nfs/dbraw/zinc/49/32/51/946493251.db2.gz FEZHEDGQWZOHIC-OLZOCXBDSA-N -1 1 392.427 0.354 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)n1 ZINC001571312477 946493261 /nfs/dbraw/zinc/49/32/61/946493261.db2.gz FEZHEDGQWZOHIC-OLZOCXBDSA-N -1 1 392.427 0.354 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571312490 946493999 /nfs/dbraw/zinc/49/39/99/946493999.db2.gz FUGPIINPZZCOGX-NSHDSACASA-N -1 1 392.427 0.580 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571312490 946494007 /nfs/dbraw/zinc/49/40/07/946494007.db2.gz FUGPIINPZZCOGX-NSHDSACASA-N -1 1 392.427 0.580 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@@H]21 ZINC001571312543 946494606 /nfs/dbraw/zinc/49/46/06/946494606.db2.gz HCXNEKBLIAHPNS-JSGCOSHPSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@@H]21 ZINC001571312543 946494612 /nfs/dbraw/zinc/49/46/12/946494612.db2.gz HCXNEKBLIAHPNS-JSGCOSHPSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cncnc1)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC001571312623 946495248 /nfs/dbraw/zinc/49/52/48/946495248.db2.gz JDQMWPMDIBHULA-UBHSHLNASA-N -1 1 392.427 0.800 20 0 GCADMM O=C(c1cncnc1)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC001571312623 946495256 /nfs/dbraw/zinc/49/52/56/946495256.db2.gz JDQMWPMDIBHULA-UBHSHLNASA-N -1 1 392.427 0.800 20 0 GCADMM O=C([C@H]1CCc2ncncc2C1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571312550 946496892 /nfs/dbraw/zinc/49/68/92/946496892.db2.gz HGOJYIDHZWTIAV-AAEUAGOBSA-N -1 1 392.427 0.265 20 0 GCADMM O=C([C@H]1CCc2ncncc2C1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571312550 946496896 /nfs/dbraw/zinc/49/68/96/946496896.db2.gz HGOJYIDHZWTIAV-AAEUAGOBSA-N -1 1 392.427 0.265 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C12CCC2 ZINC001573512359 946498007 /nfs/dbraw/zinc/49/80/07/946498007.db2.gz FHJAANGDNUCJRY-GHMZBOCLSA-N -1 1 390.473 0.607 20 0 GCADMM O=C(c1cccc2c1OCC2)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571312640 946498171 /nfs/dbraw/zinc/49/81/71/946498171.db2.gz JMEJZCNLKQPBRN-CYBMUJFWSA-N -1 1 392.423 0.730 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573512438 946498172 /nfs/dbraw/zinc/49/81/72/946498172.db2.gz FZHGTVSQLQLTKO-RYUDHWBXSA-N -1 1 392.489 0.855 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCCC[C@@H]1C ZINC001573513218 946507559 /nfs/dbraw/zinc/50/75/59/946507559.db2.gz LSHYYCCEHVAWHW-APPDUMDISA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCCC[C@@H]1C ZINC001573513218 946507566 /nfs/dbraw/zinc/50/75/66/946507566.db2.gz LSHYYCCEHVAWHW-APPDUMDISA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2nccnc2-c2nnn[n-]2)CCCC[C@H]1C ZINC001573513220 946509598 /nfs/dbraw/zinc/50/95/98/946509598.db2.gz LSHYYCCEHVAWHW-DIFFPNOSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2nccnc2-c2nn[n-]n2)CCCC[C@H]1C ZINC001573513220 946509604 /nfs/dbraw/zinc/50/96/04/946509604.db2.gz LSHYYCCEHVAWHW-DIFFPNOSSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001571313079 946510302 /nfs/dbraw/zinc/51/03/02/946510302.db2.gz NBGLZXKJIMHVHF-GXFFZTMASA-N -1 1 392.427 0.461 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2nccnc2-c2nnn[n-]2)CCCC[C@@H]1C ZINC001573513222 946510810 /nfs/dbraw/zinc/51/08/10/946510810.db2.gz LSHYYCCEHVAWHW-GTNSWQLSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2nccnc2-c2nn[n-]n2)CCCC[C@@H]1C ZINC001573513222 946510812 /nfs/dbraw/zinc/51/08/12/946510812.db2.gz LSHYYCCEHVAWHW-GTNSWQLSSA-N -1 1 387.448 0.270 20 0 GCADMM Cc1nccc(C(=O)N[C@@]23CCC[C@@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571313275 946517171 /nfs/dbraw/zinc/51/71/71/946517171.db2.gz PJBWENIXRQETPP-KBXCAEBGSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1nccc(C(=O)N[C@@]23CCC[C@@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571313275 946517181 /nfs/dbraw/zinc/51/71/81/946517181.db2.gz PJBWENIXRQETPP-KBXCAEBGSA-N -1 1 392.427 0.687 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccc2c(c1)CCC2 ZINC001571313353 946519704 /nfs/dbraw/zinc/51/97/04/946519704.db2.gz QBXJVYDINKWEPG-HUUCEWRRSA-N -1 1 392.423 0.125 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccc2c(c1)CCC2 ZINC001571313353 946519712 /nfs/dbraw/zinc/51/97/12/946519712.db2.gz QBXJVYDINKWEPG-HUUCEWRRSA-N -1 1 392.423 0.125 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@@H]1C[C@H]1c1ccccc1 ZINC001571313560 946524664 /nfs/dbraw/zinc/52/46/64/946524664.db2.gz RPVMRULSKLADLQ-SJXGUFTOSA-N -1 1 392.423 0.126 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@@H]1C[C@H]1c1ccccc1 ZINC001571313560 946524668 /nfs/dbraw/zinc/52/46/68/946524668.db2.gz RPVMRULSKLADLQ-SJXGUFTOSA-N -1 1 392.423 0.126 20 0 GCADMM Cc1ccnc(C(=O)N[C@@]23CCC[C@@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571313565 946526206 /nfs/dbraw/zinc/52/62/06/946526206.db2.gz RWCASGVSUXDVSQ-KPZWWZAWSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1ccnc(C(=O)N[C@@]23CCC[C@@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571313565 946526210 /nfs/dbraw/zinc/52/62/10/946526210.db2.gz RWCASGVSUXDVSQ-KPZWWZAWSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571313614 946527508 /nfs/dbraw/zinc/52/75/08/946527508.db2.gz UOZPPRKEXCEGLL-XQQFMLRXSA-N -1 1 392.427 0.542 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571313614 946527515 /nfs/dbraw/zinc/52/75/15/946527515.db2.gz UOZPPRKEXCEGLL-XQQFMLRXSA-N -1 1 392.427 0.542 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccnc(C3CC3)n2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571313595 946527644 /nfs/dbraw/zinc/52/76/44/946527644.db2.gz SMHVTNIXGHHPGS-PWSUYJOCSA-N -1 1 392.427 0.721 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCc2ccccc2O1 ZINC001571313822 946532334 /nfs/dbraw/zinc/53/23/34/946532334.db2.gz WHAOEKKQAUQNPL-XJKSGUPXSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCc2ccccc2O1 ZINC001571313822 946532341 /nfs/dbraw/zinc/53/23/41/946532341.db2.gz WHAOEKKQAUQNPL-XJKSGUPXSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(c1cncnc1C1CC1)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313811 946532724 /nfs/dbraw/zinc/53/27/24/946532724.db2.gz VTVBVRUAAKZFFV-NSHDSACASA-N -1 1 392.427 0.320 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)ncn1 ZINC001571313842 946535835 /nfs/dbraw/zinc/53/58/35/946535835.db2.gz WJGLVLQBERWRRT-STQMWFEESA-N -1 1 392.427 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)ncn1 ZINC001571313842 946535848 /nfs/dbraw/zinc/53/58/48/946535848.db2.gz WJGLVLQBERWRRT-STQMWFEESA-N -1 1 392.427 0.908 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCOC2 ZINC001571313948 946537832 /nfs/dbraw/zinc/53/78/32/946537832.db2.gz XZHCQRWUQGSQID-HNNXBMFYSA-N -1 1 392.423 0.738 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cncnc3C3CC3)C2)n1 ZINC001571313919 946537915 /nfs/dbraw/zinc/53/79/15/946537915.db2.gz XKNCKAUHFDGORL-LBPRGKRZSA-N -1 1 392.427 0.959 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cncnc3C3CC3)C2)n1 ZINC001571313919 946537921 /nfs/dbraw/zinc/53/79/21/946537921.db2.gz XKNCKAUHFDGORL-LBPRGKRZSA-N -1 1 392.427 0.959 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571314011 946538725 /nfs/dbraw/zinc/53/87/25/946538725.db2.gz ZHMJIEVIHVFABC-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571314011 946538733 /nfs/dbraw/zinc/53/87/33/946538733.db2.gz ZHMJIEVIHVFABC-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)[C@H]1C[C@@H]1c1ccccc1 ZINC001571313990 946539989 /nfs/dbraw/zinc/53/99/89/946539989.db2.gz YRJHRFBUAZVASC-LXTVHRRPSA-N -1 1 392.423 0.126 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573515333 946543277 /nfs/dbraw/zinc/54/32/77/946543277.db2.gz KZVCIPZAFOOLLJ-MWLCHTKSSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573515665 946548431 /nfs/dbraw/zinc/54/84/31/946548431.db2.gz OVQHTWHIXXCFNX-KWQFWETISA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573517514 946574412 /nfs/dbraw/zinc/57/44/12/946574412.db2.gz LWUOJLRHZLTJHD-AWEZNQCLSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573517514 946574419 /nfs/dbraw/zinc/57/44/19/946574419.db2.gz LWUOJLRHZLTJHD-AWEZNQCLSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573517598 946577215 /nfs/dbraw/zinc/57/72/15/946577215.db2.gz OGSMNOCZADSTCC-MRVPVSSYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573517598 946577226 /nfs/dbraw/zinc/57/72/26/946577226.db2.gz OGSMNOCZADSTCC-MRVPVSSYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NCC1CC(Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573517713 946579651 /nfs/dbraw/zinc/57/96/51/946579651.db2.gz QABOOFRRUQIVCG-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NCC1CC(Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573517713 946579660 /nfs/dbraw/zinc/57/96/60/946579660.db2.gz QABOOFRRUQIVCG-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NCC1CC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573517896 946584451 /nfs/dbraw/zinc/58/44/51/946584451.db2.gz UHOTYPBABGARPD-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NCC1CC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573517896 946584455 /nfs/dbraw/zinc/58/44/55/946584455.db2.gz UHOTYPBABGARPD-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573518029 946585470 /nfs/dbraw/zinc/58/54/70/946585470.db2.gz WIJKETIOYFCCHA-QMMMGPOBSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573518029 946585478 /nfs/dbraw/zinc/58/54/78/946585478.db2.gz WIJKETIOYFCCHA-QMMMGPOBSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573518084 946586921 /nfs/dbraw/zinc/58/69/21/946586921.db2.gz XFLPIJCOSNYQGA-CYBMUJFWSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573518084 946586927 /nfs/dbraw/zinc/58/69/27/946586927.db2.gz XFLPIJCOSNYQGA-CYBMUJFWSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NCC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573520108 946593455 /nfs/dbraw/zinc/59/34/55/946593455.db2.gz DFHBSBQDJRAMAB-LLVKDONJSA-N -1 1 378.462 0.100 20 0 GCADMM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000824172659 946607708 /nfs/dbraw/zinc/60/77/08/946607708.db2.gz NFJNWAVSVUZJJB-LBPRGKRZSA-N -1 1 383.416 0.943 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573521473 946608966 /nfs/dbraw/zinc/60/89/66/946608966.db2.gz XJZQTIPSTKPPCO-OCAPTIKFSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]1C ZINC001573521816 946613492 /nfs/dbraw/zinc/61/34/92/946613492.db2.gz ICPJAMLADFJSHG-SVRRBLITSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]1C ZINC001573521816 946613498 /nfs/dbraw/zinc/61/34/98/946613498.db2.gz ICPJAMLADFJSHG-SVRRBLITSA-N -1 1 384.853 0.196 20 0 GCADMM CO[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1CCOC1 ZINC001571317669 946615805 /nfs/dbraw/zinc/61/58/05/946615805.db2.gz QINHMCHHADDEAL-SWLSCSKDSA-N -1 1 392.485 0.624 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573521985 946618168 /nfs/dbraw/zinc/61/81/68/946618168.db2.gz RYONFDYMMNKUPY-HLTSFMKQSA-N -1 1 396.864 0.339 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573521985 946618176 /nfs/dbraw/zinc/61/81/76/946618176.db2.gz RYONFDYMMNKUPY-HLTSFMKQSA-N -1 1 396.864 0.339 20 0 GCADMM COC(=O)c1ccc(OCCn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c(Cl)c1 ZINC001571317726 946618669 /nfs/dbraw/zinc/61/86/69/946618669.db2.gz SQDFXKCEHBNFGZ-UHFFFAOYSA-N -1 1 392.759 0.648 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC001573522069 946620065 /nfs/dbraw/zinc/62/00/65/946620065.db2.gz YPRNCQSAMRFSOV-HTRCEHHLSA-N -1 1 384.853 0.054 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC001573522069 946620072 /nfs/dbraw/zinc/62/00/72/946620072.db2.gz YPRNCQSAMRFSOV-HTRCEHHLSA-N -1 1 384.853 0.054 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573522397 946625173 /nfs/dbraw/zinc/62/51/73/946625173.db2.gz FCMIXPCOYKOYMN-GWCFXTLKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573522397 946625178 /nfs/dbraw/zinc/62/51/78/946625178.db2.gz FCMIXPCOYKOYMN-GWCFXTLKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522830 946629421 /nfs/dbraw/zinc/62/94/21/946629421.db2.gz KRXHLXFKUCBYEX-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573522830 946629424 /nfs/dbraw/zinc/62/94/24/946629424.db2.gz KRXHLXFKUCBYEX-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573523460 946637471 /nfs/dbraw/zinc/63/74/71/946637471.db2.gz RVSMQZAZWBDSBT-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573523460 946637475 /nfs/dbraw/zinc/63/74/75/946637475.db2.gz RVSMQZAZWBDSBT-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573523914 946640666 /nfs/dbraw/zinc/64/06/66/946640666.db2.gz XZMDUSZOQLEFAD-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573523914 946640673 /nfs/dbraw/zinc/64/06/73/946640673.db2.gz XZMDUSZOQLEFAD-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573523999 946641081 /nfs/dbraw/zinc/64/10/81/946641081.db2.gz ZFKXFQHHULDQCU-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573523999 946641088 /nfs/dbraw/zinc/64/10/88/946641088.db2.gz ZFKXFQHHULDQCU-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573527561 946642654 /nfs/dbraw/zinc/64/26/54/946642654.db2.gz CQRUCAPLGCFDHR-TXEJJXNPSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573527561 946642660 /nfs/dbraw/zinc/64/26/60/946642660.db2.gz CQRUCAPLGCFDHR-TXEJJXNPSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573527733 946645292 /nfs/dbraw/zinc/64/52/92/946645292.db2.gz GDMMXYSJPHTXFC-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573527733 946645298 /nfs/dbraw/zinc/64/52/98/946645298.db2.gz GDMMXYSJPHTXFC-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573527702 946646363 /nfs/dbraw/zinc/64/63/63/946646363.db2.gz FJKSWVKQJRKKSN-CYBMUJFWSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573527702 946646373 /nfs/dbraw/zinc/64/63/73/946646373.db2.gz FJKSWVKQJRKKSN-CYBMUJFWSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573527760 946648422 /nfs/dbraw/zinc/64/84/22/946648422.db2.gz HGNLVSDRKLILLD-UHFFFAOYSA-N -1 1 392.489 0.855 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573527989 946652413 /nfs/dbraw/zinc/65/24/13/946652413.db2.gz OOGJFCDGSUNOEG-ZDUSSCGKSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573527989 946652420 /nfs/dbraw/zinc/65/24/20/946652420.db2.gz OOGJFCDGSUNOEG-ZDUSSCGKSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573528107 946656745 /nfs/dbraw/zinc/65/67/45/946656745.db2.gz UUIPXPCHTJIIFS-QMMMGPOBSA-N -1 1 380.478 0.711 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573528115 946657624 /nfs/dbraw/zinc/65/76/24/946657624.db2.gz VCXARLJISPOYRO-GFCCVEGCSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573528115 946657632 /nfs/dbraw/zinc/65/76/32/946657632.db2.gz VCXARLJISPOYRO-GFCCVEGCSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)NCc1ccc(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1 ZINC001573533491 946714146 /nfs/dbraw/zinc/71/41/46/946714146.db2.gz RUADRKFUTQITEC-UHFFFAOYSA-N -1 1 381.396 0.842 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573535745 946725872 /nfs/dbraw/zinc/72/58/72/946725872.db2.gz IRIJWCSNYFCFCA-IINYFYTJSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573535745 946725880 /nfs/dbraw/zinc/72/58/80/946725880.db2.gz IRIJWCSNYFCFCA-IINYFYTJSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573535982 946727049 /nfs/dbraw/zinc/72/70/49/946727049.db2.gz MTKJBMIOWBEYNY-WXRRBKDZSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573535982 946727054 /nfs/dbraw/zinc/72/70/54/946727054.db2.gz MTKJBMIOWBEYNY-WXRRBKDZSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C)C(C)C ZINC001573535997 946728388 /nfs/dbraw/zinc/72/83/88/946728388.db2.gz NJJQWFVTWQKKAQ-UKRRQHHQSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C)C(C)C ZINC001573535997 946728393 /nfs/dbraw/zinc/72/83/93/946728393.db2.gz NJJQWFVTWQKKAQ-UKRRQHHQSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCCN(C)c1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573536029 946729634 /nfs/dbraw/zinc/72/96/34/946729634.db2.gz OGIHXYVPTRLWQY-GFCCVEGCSA-N -1 1 380.478 0.345 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573536164 946733129 /nfs/dbraw/zinc/73/31/29/946733129.db2.gz QVTOKEOEKNCLOX-TYNCELHUSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536164 946733138 /nfs/dbraw/zinc/73/31/38/946733138.db2.gz QVTOKEOEKNCLOX-TYNCELHUSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573536174 946733194 /nfs/dbraw/zinc/73/31/94/946733194.db2.gz RBHQWGDZZSVFSB-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573536174 946733202 /nfs/dbraw/zinc/73/32/02/946733202.db2.gz RBHQWGDZZSVFSB-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573536745 946739994 /nfs/dbraw/zinc/73/99/94/946739994.db2.gz BTYPPQQHQQLAQE-CQSZACIVSA-N -1 1 389.464 0.020 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573536745 946739998 /nfs/dbraw/zinc/73/99/98/946739998.db2.gz BTYPPQQHQQLAQE-CQSZACIVSA-N -1 1 389.464 0.020 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573537061 946742373 /nfs/dbraw/zinc/74/23/73/946742373.db2.gz FYQUEHXPRKOFKE-QMTHXVAHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573537061 946742379 /nfs/dbraw/zinc/74/23/79/946742379.db2.gz FYQUEHXPRKOFKE-QMTHXVAHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573537445 946749629 /nfs/dbraw/zinc/74/96/29/946749629.db2.gz BCPKZMQOCJRXFQ-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573537445 946749636 /nfs/dbraw/zinc/74/96/36/946749636.db2.gz BCPKZMQOCJRXFQ-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573537591 946751600 /nfs/dbraw/zinc/75/16/00/946751600.db2.gz GCSIWEXDXNSKLJ-RISCZKNCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573537591 946751606 /nfs/dbraw/zinc/75/16/06/946751606.db2.gz GCSIWEXDXNSKLJ-RISCZKNCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573537590 946753124 /nfs/dbraw/zinc/75/31/24/946753124.db2.gz PKRKUSXRMOWBNS-OAHLLOKOSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573537590 946753132 /nfs/dbraw/zinc/75/31/32/946753132.db2.gz PKRKUSXRMOWBNS-OAHLLOKOSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573537660 946754198 /nfs/dbraw/zinc/75/41/98/946754198.db2.gz ILBBYMRUBXBKPN-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573537660 946754203 /nfs/dbraw/zinc/75/42/03/946754203.db2.gz ILBBYMRUBXBKPN-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573537713 946756908 /nfs/dbraw/zinc/75/69/08/946756908.db2.gz QZDGFKICDULYHY-OAHLLOKOSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573537713 946756915 /nfs/dbraw/zinc/75/69/15/946756915.db2.gz QZDGFKICDULYHY-OAHLLOKOSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573538267 946765128 /nfs/dbraw/zinc/76/51/28/946765128.db2.gz RSRCNJXMLBTGKJ-GWCFXTLKSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573538267 946765131 /nfs/dbraw/zinc/76/51/31/946765131.db2.gz RSRCNJXMLBTGKJ-GWCFXTLKSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573538497 946767726 /nfs/dbraw/zinc/76/77/26/946767726.db2.gz UVQVIBQEOMSNEZ-OCCSQVGLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573538497 946767732 /nfs/dbraw/zinc/76/77/32/946767732.db2.gz UVQVIBQEOMSNEZ-OCCSQVGLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573538503 946769057 /nfs/dbraw/zinc/76/90/57/946769057.db2.gz VDRJMEMZVGKFBJ-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573538503 946769061 /nfs/dbraw/zinc/76/90/61/946769061.db2.gz VDRJMEMZVGKFBJ-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573538558 946770021 /nfs/dbraw/zinc/77/00/21/946770021.db2.gz XBKCLWNFSMBYIX-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573538558 946770033 /nfs/dbraw/zinc/77/00/33/946770033.db2.gz XBKCLWNFSMBYIX-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573538605 946771878 /nfs/dbraw/zinc/77/18/78/946771878.db2.gz YLQCWVTUDJGXEQ-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573538605 946771887 /nfs/dbraw/zinc/77/18/87/946771887.db2.gz YLQCWVTUDJGXEQ-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573538667 946773160 /nfs/dbraw/zinc/77/31/60/946773160.db2.gz ZSBJLIWXYIAFST-KOHJWAIASA-N -1 1 387.448 0.219 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573538667 946773164 /nfs/dbraw/zinc/77/31/64/946773164.db2.gz ZSBJLIWXYIAFST-KOHJWAIASA-N -1 1 387.448 0.219 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573540422 946776092 /nfs/dbraw/zinc/77/60/92/946776092.db2.gz DJOBUOGEFPNCOH-SMDDNHRTSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(C)C ZINC001573540422 946776101 /nfs/dbraw/zinc/77/61/01/946776101.db2.gz DJOBUOGEFPNCOH-SMDDNHRTSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540429 946776820 /nfs/dbraw/zinc/77/68/20/946776820.db2.gz DQCCZJKQYNZQHK-ZWNOBZJWSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573540598 946778845 /nfs/dbraw/zinc/77/88/45/946778845.db2.gz HJVKKLPXFZOYAS-ZWNOBZJWSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573540598 946778853 /nfs/dbraw/zinc/77/88/53/946778853.db2.gz HJVKKLPXFZOYAS-ZWNOBZJWSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573540893 946780392 /nfs/dbraw/zinc/78/03/92/946780392.db2.gz JZPUUTPZPFIOKX-IINYFYTJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540893 946780402 /nfs/dbraw/zinc/78/04/02/946780402.db2.gz JZPUUTPZPFIOKX-IINYFYTJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573540911 946781992 /nfs/dbraw/zinc/78/19/92/946781992.db2.gz KMRZIUMZYNZFIY-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573540911 946781999 /nfs/dbraw/zinc/78/19/99/946781999.db2.gz KMRZIUMZYNZFIY-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541010 946782841 /nfs/dbraw/zinc/78/28/41/946782841.db2.gz MAGIMGKHPKVLHR-NOZJJQNGSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541010 946782853 /nfs/dbraw/zinc/78/28/53/946782853.db2.gz MAGIMGKHPKVLHR-NOZJJQNGSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573541200 946783361 /nfs/dbraw/zinc/78/33/61/946783361.db2.gz OLAFUDDNWFKDQV-CYBMUJFWSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541200 946783365 /nfs/dbraw/zinc/78/33/65/946783365.db2.gz OLAFUDDNWFKDQV-CYBMUJFWSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573541037 946783387 /nfs/dbraw/zinc/78/33/87/946783387.db2.gz MRBDERCAKPHBOC-GFCCVEGCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573541037 946783392 /nfs/dbraw/zinc/78/33/92/946783392.db2.gz MRBDERCAKPHBOC-GFCCVEGCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573541047 946783925 /nfs/dbraw/zinc/78/39/25/946783925.db2.gz MYKNSEOMUIGKAR-CQSZACIVSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541047 946783936 /nfs/dbraw/zinc/78/39/36/946783936.db2.gz MYKNSEOMUIGKAR-CQSZACIVSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573541381 946786049 /nfs/dbraw/zinc/78/60/49/946786049.db2.gz QWLHNEQZNPMPQU-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573541381 946786055 /nfs/dbraw/zinc/78/60/55/946786055.db2.gz QWLHNEQZNPMPQU-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573541659 946788765 /nfs/dbraw/zinc/78/87/65/946788765.db2.gz VDRJMEMZVGKFBJ-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573541659 946788774 /nfs/dbraw/zinc/78/87/74/946788774.db2.gz VDRJMEMZVGKFBJ-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573542218 946792822 /nfs/dbraw/zinc/79/28/22/946792822.db2.gz BFMPDPSXEPCFOD-UHFFFAOYSA-N -1 1 384.404 0.436 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573542218 946792831 /nfs/dbraw/zinc/79/28/31/946792831.db2.gz BFMPDPSXEPCFOD-UHFFFAOYSA-N -1 1 384.404 0.436 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573541941 946793171 /nfs/dbraw/zinc/79/31/71/946793171.db2.gz ZDGTWGLXOCQWLB-WCQYABFASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573542303 946794873 /nfs/dbraw/zinc/79/48/73/946794873.db2.gz FPOCKXYELZQKBW-JHJVBQTASA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573542303 946794886 /nfs/dbraw/zinc/79/48/86/946794886.db2.gz FPOCKXYELZQKBW-JHJVBQTASA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573542355 946797784 /nfs/dbraw/zinc/79/77/84/946797784.db2.gz HXTSWXWLZNAHOY-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573542355 946797792 /nfs/dbraw/zinc/79/77/92/946797792.db2.gz HXTSWXWLZNAHOY-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)ccn1 ZINC001573543298 946806715 /nfs/dbraw/zinc/80/67/15/946806715.db2.gz VKSRMDKZJFEWTN-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)ccn1 ZINC001573543298 946806737 /nfs/dbraw/zinc/80/67/37/946806737.db2.gz VKSRMDKZJFEWTN-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NCCN(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001573546507 946809138 /nfs/dbraw/zinc/80/91/38/946809138.db2.gz BPLSEHAOILLTSS-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NCCN(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001573546507 946809149 /nfs/dbraw/zinc/80/91/49/946809149.db2.gz BPLSEHAOILLTSS-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)c1 ZINC001573546528 946811124 /nfs/dbraw/zinc/81/11/24/946811124.db2.gz CGUGHQYHYGPEOZ-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)c1 ZINC001573546528 946811137 /nfs/dbraw/zinc/81/11/37/946811137.db2.gz CGUGHQYHYGPEOZ-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC001573546773 946821068 /nfs/dbraw/zinc/82/10/68/946821068.db2.gz QGWBRXBCXCPBFU-UHFFFAOYSA-N -1 1 391.388 0.838 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC001573546773 946821079 /nfs/dbraw/zinc/82/10/79/946821079.db2.gz QGWBRXBCXCPBFU-UHFFFAOYSA-N -1 1 391.388 0.838 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573547538 946834857 /nfs/dbraw/zinc/83/48/57/946834857.db2.gz OOZAKDNVWUUDPD-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573547538 946834862 /nfs/dbraw/zinc/83/48/62/946834862.db2.gz OOZAKDNVWUUDPD-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001573547933 946843014 /nfs/dbraw/zinc/84/30/14/946843014.db2.gz YOYSKYGJPLEWIJ-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001573547933 946843023 /nfs/dbraw/zinc/84/30/23/946843023.db2.gz YOYSKYGJPLEWIJ-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NCCN(C)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573547969 946845190 /nfs/dbraw/zinc/84/51/90/946845190.db2.gz ZNJIURJICOGAEI-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NCCN(C)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573547969 946845199 /nfs/dbraw/zinc/84/51/99/946845199.db2.gz ZNJIURJICOGAEI-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573548046 946846590 /nfs/dbraw/zinc/84/65/90/946846590.db2.gz BYNNYAAZYAAJSE-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573548046 946846603 /nfs/dbraw/zinc/84/66/03/946846603.db2.gz BYNNYAAZYAAJSE-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573548160 946847578 /nfs/dbraw/zinc/84/75/78/946847578.db2.gz DWJROJHIAXDNHM-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573548160 946847586 /nfs/dbraw/zinc/84/75/86/946847586.db2.gz DWJROJHIAXDNHM-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc(C2CCC2)n1C ZINC000825000592 947036243 /nfs/dbraw/zinc/03/62/43/947036243.db2.gz SUZUCVORFYLKLP-GFCCVEGCSA-N -1 1 395.475 0.763 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc(C2CCC2)n1C ZINC000825000592 947036257 /nfs/dbraw/zinc/03/62/57/947036257.db2.gz SUZUCVORFYLKLP-GFCCVEGCSA-N -1 1 395.475 0.763 20 0 GCADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825205976 947117828 /nfs/dbraw/zinc/11/78/28/947117828.db2.gz YGEMWQVXWPHWAK-WCQYABFASA-N -1 1 387.444 0.859 20 0 GCADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825205976 947117835 /nfs/dbraw/zinc/11/78/35/947117835.db2.gz YGEMWQVXWPHWAK-WCQYABFASA-N -1 1 387.444 0.859 20 0 GCADMM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825341654 947158243 /nfs/dbraw/zinc/15/82/43/947158243.db2.gz GVKWRNTYGVQWBW-GFCCVEGCSA-N -1 1 380.430 0.715 20 0 GCADMM CCN(CC)C(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825399507 947177084 /nfs/dbraw/zinc/17/70/84/947177084.db2.gz WBJGWSPRLXFWEH-UHFFFAOYSA-N -1 1 375.433 0.813 20 0 GCADMM CCN(CC)C(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825399507 947177088 /nfs/dbraw/zinc/17/70/88/947177088.db2.gz WBJGWSPRLXFWEH-UHFFFAOYSA-N -1 1 375.433 0.813 20 0 GCADMM CCN(CCCn1c(=O)c(-c2nn[n-]n2)cn(CC)c1=O)CC(F)(F)F ZINC000825419671 947185417 /nfs/dbraw/zinc/18/54/17/947185417.db2.gz RHPCRCNRVRALCP-UHFFFAOYSA-N -1 1 375.355 0.484 20 0 GCADMM CCN(Cc1ccccc1)C(=O)CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825439460 947189511 /nfs/dbraw/zinc/18/95/11/947189511.db2.gz CSJRWKDWHRMSRH-UHFFFAOYSA-N -1 1 383.412 0.871 20 0 GCADMM CCN(Cc1ccccc1)C(=O)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825439460 947189523 /nfs/dbraw/zinc/18/95/23/947189523.db2.gz CSJRWKDWHRMSRH-UHFFFAOYSA-N -1 1 383.412 0.871 20 0 GCADMM CCOC(=O)C(C)(C)n1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cn1 ZINC000825486435 947202389 /nfs/dbraw/zinc/20/23/89/947202389.db2.gz SAOULJYPANFTMX-UHFFFAOYSA-N -1 1 388.388 0.839 20 0 GCADMM CCOC(=O)C(C)(C)n1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cn1 ZINC000825486435 947202396 /nfs/dbraw/zinc/20/23/96/947202396.db2.gz SAOULJYPANFTMX-UHFFFAOYSA-N -1 1 388.388 0.839 20 0 GCADMM CCOC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CCOCC1 ZINC000825494571 947206775 /nfs/dbraw/zinc/20/67/75/947206775.db2.gz YMIAXIUSWPDCTC-CQSZACIVSA-N -1 1 378.389 0.180 20 0 GCADMM CCOC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CCOCC1 ZINC000825494571 947206785 /nfs/dbraw/zinc/20/67/85/947206785.db2.gz YMIAXIUSWPDCTC-CQSZACIVSA-N -1 1 378.389 0.180 20 0 GCADMM CCc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1S(N)(=O)=O ZINC000825711791 947297956 /nfs/dbraw/zinc/29/79/56/947297956.db2.gz GMSTYGJOGVMBJA-UHFFFAOYSA-N -1 1 391.413 0.554 20 0 GCADMM CCc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1S(N)(=O)=O ZINC000825711791 947297962 /nfs/dbraw/zinc/29/79/62/947297962.db2.gz GMSTYGJOGVMBJA-UHFFFAOYSA-N -1 1 391.413 0.554 20 0 GCADMM C=C/C(C)=C\CC(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573317709 947299290 /nfs/dbraw/zinc/29/92/90/947299290.db2.gz OQKSBENMWBYSLT-CPSFFCFKSA-N -1 1 383.460 0.417 20 0 GCADMM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573591501 947311773 /nfs/dbraw/zinc/31/17/73/947311773.db2.gz BXZINDIDAHLNFX-ZWNOBZJWSA-N -1 1 389.485 0.486 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573591684 947318090 /nfs/dbraw/zinc/31/80/90/947318090.db2.gz DHLUMWLNOVQONO-VXGBXAGGSA-N -1 1 386.416 0.309 20 0 GCADMM CCn1nccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825807068 947337696 /nfs/dbraw/zinc/33/76/96/947337696.db2.gz MNXUSIUXHJVHGJ-LLVKDONJSA-N -1 1 383.420 0.616 20 0 GCADMM CCn1nccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825807068 947337710 /nfs/dbraw/zinc/33/77/10/947337710.db2.gz MNXUSIUXHJVHGJ-LLVKDONJSA-N -1 1 383.420 0.616 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573592563 947340462 /nfs/dbraw/zinc/34/04/62/947340462.db2.gz KKHCLYQHCUZQEA-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573592563 947340476 /nfs/dbraw/zinc/34/04/76/947340476.db2.gz KKHCLYQHCUZQEA-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573592615 947343518 /nfs/dbraw/zinc/34/35/18/947343518.db2.gz LESSSSBRBYNZJC-ZJUUUORDSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573592615 947343533 /nfs/dbraw/zinc/34/35/33/947343533.db2.gz LESSSSBRBYNZJC-ZJUUUORDSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573592612 947344090 /nfs/dbraw/zinc/34/40/90/947344090.db2.gz LESSSSBRBYNZJC-NXEZZACHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573592612 947344105 /nfs/dbraw/zinc/34/41/05/947344105.db2.gz LESSSSBRBYNZJC-NXEZZACHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573592886 947352020 /nfs/dbraw/zinc/35/20/20/947352020.db2.gz ODPAXSJYEGYLPF-UWVGGRQHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573592886 947352033 /nfs/dbraw/zinc/35/20/33/947352033.db2.gz ODPAXSJYEGYLPF-UWVGGRQHSA-N -1 1 384.391 0.204 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2nsnc2c1 ZINC000825934183 947375000 /nfs/dbraw/zinc/37/50/00/947375000.db2.gz KPCHSVBDBOPJAG-UHFFFAOYSA-N -1 1 384.429 0.882 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2nsnc2c1 ZINC000825934183 947375012 /nfs/dbraw/zinc/37/50/12/947375012.db2.gz KPCHSVBDBOPJAG-UHFFFAOYSA-N -1 1 384.429 0.882 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cn(C)nc1C(F)F ZINC000825935273 947379273 /nfs/dbraw/zinc/37/92/73/947379273.db2.gz YKRXSQGZIMPIGO-UHFFFAOYSA-N -1 1 380.363 0.548 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cn(C)nc1C(F)F ZINC000825935273 947379284 /nfs/dbraw/zinc/37/92/84/947379284.db2.gz YKRXSQGZIMPIGO-UHFFFAOYSA-N -1 1 380.363 0.548 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573593970 947383395 /nfs/dbraw/zinc/38/33/95/947383395.db2.gz WFNHUIMSZQWBFY-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573593970 947383409 /nfs/dbraw/zinc/38/34/09/947383409.db2.gz WFNHUIMSZQWBFY-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573594373 947391135 /nfs/dbraw/zinc/39/11/35/947391135.db2.gz AJEQKJSSWNNSBL-ZYHUDNBSSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573594373 947391146 /nfs/dbraw/zinc/39/11/46/947391146.db2.gz AJEQKJSSWNNSBL-ZYHUDNBSSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573594385 947391565 /nfs/dbraw/zinc/39/15/65/947391565.db2.gz YMIJITJYIKALFF-WFASDCNBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573594385 947391578 /nfs/dbraw/zinc/39/15/78/947391578.db2.gz YMIJITJYIKALFF-WFASDCNBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573594575 947400320 /nfs/dbraw/zinc/40/03/20/947400320.db2.gz QRVCGUOBZWGRRI-ZWNOBZJWSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573594575 947400325 /nfs/dbraw/zinc/40/03/25/947400325.db2.gz QRVCGUOBZWGRRI-ZWNOBZJWSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573594889 947411210 /nfs/dbraw/zinc/41/12/10/947411210.db2.gz DKFBVWQQOFCFML-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573594889 947411216 /nfs/dbraw/zinc/41/12/16/947411216.db2.gz DKFBVWQQOFCFML-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573594982 947413008 /nfs/dbraw/zinc/41/30/08/947413008.db2.gz VMAIEELUOZWUSY-PKSQDBQZSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573594982 947413012 /nfs/dbraw/zinc/41/30/12/947413012.db2.gz VMAIEELUOZWUSY-PKSQDBQZSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573595051 947415081 /nfs/dbraw/zinc/41/50/81/947415081.db2.gz FHGZZIXDIYMHDS-JSGCOSHPSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573595051 947415084 /nfs/dbraw/zinc/41/50/84/947415084.db2.gz FHGZZIXDIYMHDS-JSGCOSHPSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573595469 947420244 /nfs/dbraw/zinc/42/02/44/947420244.db2.gz GIXPRSAIMHGCLN-RYUDHWBXSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573595469 947420247 /nfs/dbraw/zinc/42/02/47/947420247.db2.gz GIXPRSAIMHGCLN-RYUDHWBXSA-N -1 1 386.416 0.309 20 0 GCADMM COC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000826103453 947426881 /nfs/dbraw/zinc/42/68/81/947426881.db2.gz HFIIUKMPBASQOB-OAHLLOKOSA-N -1 1 386.368 0.745 20 0 GCADMM COC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000826103453 947426890 /nfs/dbraw/zinc/42/68/90/947426890.db2.gz HFIIUKMPBASQOB-OAHLLOKOSA-N -1 1 386.368 0.745 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573596522 947429159 /nfs/dbraw/zinc/42/91/59/947429159.db2.gz KVSFGAWIZLALSA-QWRGUYRKSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573596522 947429166 /nfs/dbraw/zinc/42/91/66/947429166.db2.gz KVSFGAWIZLALSA-QWRGUYRKSA-N -1 1 388.457 0.753 20 0 GCADMM COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc2ccccc2c1 ZINC000826104295 947429955 /nfs/dbraw/zinc/42/99/55/947429955.db2.gz UCCCAVWNYMEUKO-OAHLLOKOSA-N -1 1 392.379 0.642 20 0 GCADMM COC(=O)CNC(=O)c1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826138371 947449592 /nfs/dbraw/zinc/44/95/92/947449592.db2.gz RHTYVWVCPUZNBK-UHFFFAOYSA-N -1 1 399.367 0.247 20 0 GCADMM COC(=O)CNC(=O)c1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826138371 947449599 /nfs/dbraw/zinc/44/95/99/947449599.db2.gz RHTYVWVCPUZNBK-UHFFFAOYSA-N -1 1 399.367 0.247 20 0 GCADMM CO[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000826145166 947462722 /nfs/dbraw/zinc/46/27/22/947462722.db2.gz ATADEHNBJVUOKM-NSHDSACASA-N -1 1 390.448 0.784 20 0 GCADMM CO[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000826145166 947462731 /nfs/dbraw/zinc/46/27/31/947462731.db2.gz ATADEHNBJVUOKM-NSHDSACASA-N -1 1 390.448 0.784 20 0 GCADMM C[C@@H](C(=O)N(C)CCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573602686 947470458 /nfs/dbraw/zinc/47/04/58/947470458.db2.gz GYFRJMLLIXKIDW-CYBMUJFWSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@H](C(=O)N(C)CCOCCNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573604265 947507880 /nfs/dbraw/zinc/50/78/80/947507880.db2.gz NDFUNDLUCBZLMC-LBPRGKRZSA-N -1 1 386.416 0.940 20 0 GCADMM C[C@H](C(=O)N(C)CCOCCNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573604265 947507889 /nfs/dbraw/zinc/50/78/89/947507889.db2.gz NDFUNDLUCBZLMC-LBPRGKRZSA-N -1 1 386.416 0.940 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573604699 947514978 /nfs/dbraw/zinc/51/49/78/947514978.db2.gz PVJHGHMAIMKUNR-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573604699 947514985 /nfs/dbraw/zinc/51/49/85/947514985.db2.gz PVJHGHMAIMKUNR-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(C)CCOCCNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001573604748 947516174 /nfs/dbraw/zinc/51/61/74/947516174.db2.gz QVLFNJSZWBVMIN-JSGCOSHPSA-N -1 1 390.448 0.359 20 0 GCADMM C[C@H](C(=O)N(C)CCOCCNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001573604748 947516177 /nfs/dbraw/zinc/51/61/77/947516177.db2.gz QVLFNJSZWBVMIN-JSGCOSHPSA-N -1 1 390.448 0.359 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@H](C)C(C)(C)C ZINC001573607519 947549049 /nfs/dbraw/zinc/54/90/49/947549049.db2.gz OHSIQLHMAYAEKR-STQMWFEESA-N -1 1 390.492 0.630 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573607634 947551013 /nfs/dbraw/zinc/55/10/13/947551013.db2.gz QBMASIUYNSSQIW-GFCCVEGCSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573607634 947551019 /nfs/dbraw/zinc/55/10/19/947551019.db2.gz QBMASIUYNSSQIW-GFCCVEGCSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573613549 947565027 /nfs/dbraw/zinc/56/50/27/947565027.db2.gz CFIHEPCNJNYDJU-YIYPIFLZSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573613917 947575064 /nfs/dbraw/zinc/57/50/64/947575064.db2.gz BQLSESZHLXQPCL-SECBINFHSA-N -1 1 384.366 0.928 20 0 GCADMM C[C@H](C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615004 947598150 /nfs/dbraw/zinc/59/81/50/947598150.db2.gz PAXDHGHEOYKQSP-SNVBAGLBSA-N -1 1 389.420 0.099 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573615191 947599876 /nfs/dbraw/zinc/59/98/76/947599876.db2.gz IWCXBWPUXBBEOZ-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573615191 947599887 /nfs/dbraw/zinc/59/98/87/947599887.db2.gz IWCXBWPUXBBEOZ-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)n1cccn1 ZINC001573616454 947623726 /nfs/dbraw/zinc/62/37/26/947623726.db2.gz WKNXFTZJVDCASR-DGCLKSJQSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)n1cccn1 ZINC001573616454 947623736 /nfs/dbraw/zinc/62/37/36/947623736.db2.gz WKNXFTZJVDCASR-DGCLKSJQSA-N -1 1 382.432 0.763 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001573354631 947633481 /nfs/dbraw/zinc/63/34/81/947633481.db2.gz GIBVZYPSUCFXDO-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001573354631 947633487 /nfs/dbraw/zinc/63/34/87/947633487.db2.gz GIBVZYPSUCFXDO-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1 ZINC001573355365 947643735 /nfs/dbraw/zinc/64/37/35/947643735.db2.gz OJLIOFCYXWNUHI-CABCVRRESA-N -1 1 392.423 0.669 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573619359 947664352 /nfs/dbraw/zinc/66/43/52/947664352.db2.gz VOYHHTSQRHOMRN-QWHCGFSZSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573619359 947664356 /nfs/dbraw/zinc/66/43/56/947664356.db2.gz VOYHHTSQRHOMRN-QWHCGFSZSA-N -1 1 382.432 0.399 20 0 GCADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnccn1 ZINC001573363425 947710469 /nfs/dbraw/zinc/71/04/69/947710469.db2.gz NVHVIUNAJXXSFI-KIWPFMIBSA-N -1 1 392.427 0.587 20 0 GCADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnccn1 ZINC001573363425 947710472 /nfs/dbraw/zinc/71/04/72/947710472.db2.gz NVHVIUNAJXXSFI-KIWPFMIBSA-N -1 1 392.427 0.587 20 0 GCADMM C/C(=C/C(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573363981 947716327 /nfs/dbraw/zinc/71/63/27/947716327.db2.gz OSFQJEXITFCFKP-WQLSENKSSA-N -1 1 384.444 0.461 20 0 GCADMM C/C(=C/C(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573363981 947716333 /nfs/dbraw/zinc/71/63/33/947716333.db2.gz OSFQJEXITFCFKP-WQLSENKSSA-N -1 1 384.444 0.461 20 0 GCADMM Cc1cc(C(=O)N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)c(C)o1 ZINC000826257494 947742498 /nfs/dbraw/zinc/74/24/98/947742498.db2.gz FEEIQWPKKZWCFD-UHFFFAOYSA-N -1 1 399.411 0.900 20 0 GCADMM Cc1cc(C(=O)N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)c(C)o1 ZINC000826257494 947742508 /nfs/dbraw/zinc/74/25/08/947742508.db2.gz FEEIQWPKKZWCFD-UHFFFAOYSA-N -1 1 399.411 0.900 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573628211 947747930 /nfs/dbraw/zinc/74/79/30/947747930.db2.gz GKQTYHUOSAHBIB-KZULUSFZSA-N -1 1 388.476 0.526 20 0 GCADMM CC(=CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cnccn1 ZINC001573367054 947752423 /nfs/dbraw/zinc/75/24/23/947752423.db2.gz ZVYACFHGDNYGOL-NTMALXAHSA-N -1 1 382.388 0.258 20 0 GCADMM CC(=CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1cnccn1 ZINC001573367054 947752430 /nfs/dbraw/zinc/75/24/30/947752430.db2.gz ZVYACFHGDNYGOL-NTMALXAHSA-N -1 1 382.388 0.258 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573628619 947759407 /nfs/dbraw/zinc/75/94/07/947759407.db2.gz JBCXSZUHISGZJQ-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573628619 947759413 /nfs/dbraw/zinc/75/94/13/947759413.db2.gz JBCXSZUHISGZJQ-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573629257 947775820 /nfs/dbraw/zinc/77/58/20/947775820.db2.gz NAWDCTXIWIWBEW-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573629257 947775825 /nfs/dbraw/zinc/77/58/25/947775825.db2.gz NAWDCTXIWIWBEW-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM CC(=O)CCCC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573373404 947792907 /nfs/dbraw/zinc/79/29/07/947792907.db2.gz CAGSXKVQUVHLLN-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM CC(=O)CCCC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573373404 947792915 /nfs/dbraw/zinc/79/29/15/947792915.db2.gz CAGSXKVQUVHLLN-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573630688 947795833 /nfs/dbraw/zinc/79/58/33/947795833.db2.gz RQBWAKIFKMDIAF-JSGCOSHPSA-N -1 1 386.460 0.493 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573373695 947797237 /nfs/dbraw/zinc/79/72/37/947797237.db2.gz KHIJIAJWUPSMDL-TZMCWYRMSA-N -1 1 386.460 0.734 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573373955 947801687 /nfs/dbraw/zinc/80/16/87/947801687.db2.gz HGKDXOIRAXCWRN-KBPBESRZSA-N -1 1 386.460 0.925 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573631798 947805432 /nfs/dbraw/zinc/80/54/32/947805432.db2.gz WXUAPVDXPSGVFP-TZMCWYRMSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573631798 947805442 /nfs/dbraw/zinc/80/54/42/947805442.db2.gz WXUAPVDXPSGVFP-TZMCWYRMSA-N -1 1 386.460 0.493 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375722 947825018 /nfs/dbraw/zinc/82/50/18/947825018.db2.gz UOCUWTJWOJIIJW-HIFRSBDPSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375722 947825026 /nfs/dbraw/zinc/82/50/26/947825026.db2.gz UOCUWTJWOJIIJW-HIFRSBDPSA-N -1 1 384.444 0.843 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573637937 947828125 /nfs/dbraw/zinc/82/81/25/947828125.db2.gz WNXVFCAVOJZWNI-NEPJUHHUSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573637937 947828127 /nfs/dbraw/zinc/82/81/27/947828127.db2.gz WNXVFCAVOJZWNI-NEPJUHHUSA-N -1 1 383.420 0.302 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376084 947830169 /nfs/dbraw/zinc/83/01/69/947830169.db2.gz WILPSTLCESOOHW-KBPBESRZSA-N -1 1 386.460 0.877 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376407 947836452 /nfs/dbraw/zinc/83/64/52/947836452.db2.gz ZTKVTDVXLZZLLJ-UONOGXRCSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573376507 947838033 /nfs/dbraw/zinc/83/80/33/947838033.db2.gz WCWHGFLLCMPGMD-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM CC(=O)CCCC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573376507 947838042 /nfs/dbraw/zinc/83/80/42/947838042.db2.gz WCWHGFLLCMPGMD-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1-c1nnn[n-]1 ZINC000826289918 947841856 /nfs/dbraw/zinc/84/18/56/947841856.db2.gz RMMJEQQTSDBHTP-ZDUSSCGKSA-N -1 1 397.443 0.931 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1-c1nn[n-]n1 ZINC000826289918 947841865 /nfs/dbraw/zinc/84/18/65/947841865.db2.gz RMMJEQQTSDBHTP-ZDUSSCGKSA-N -1 1 397.443 0.931 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573376903 947844433 /nfs/dbraw/zinc/84/44/33/947844433.db2.gz DQCRABLBUJNCHX-KGLIPLIRSA-N -1 1 384.444 0.701 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573377109 947846766 /nfs/dbraw/zinc/84/67/66/947846766.db2.gz IGTPCAQUMUOOCU-QWHCGFSZSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573377109 947846771 /nfs/dbraw/zinc/84/67/71/947846771.db2.gz IGTPCAQUMUOOCU-QWHCGFSZSA-N -1 1 388.432 0.444 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826291238 947846890 /nfs/dbraw/zinc/84/68/90/947846890.db2.gz VVIQJRRKBWRCCH-UHFFFAOYSA-N -1 1 377.386 0.300 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826291238 947846893 /nfs/dbraw/zinc/84/68/93/947846893.db2.gz VVIQJRRKBWRCCH-UHFFFAOYSA-N -1 1 377.386 0.300 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573639746 947848811 /nfs/dbraw/zinc/84/88/11/947848811.db2.gz CBWSXDXQDRSNDG-VHSXEESVSA-N -1 1 382.375 0.009 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573377660 947850705 /nfs/dbraw/zinc/85/07/05/947850705.db2.gz PVUPZQAGGDFKMX-ACJLOTCBSA-N -1 1 384.444 0.701 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573377595 947850919 /nfs/dbraw/zinc/85/09/19/947850919.db2.gz OYPCURYLNSUHOU-CYBMUJFWSA-N -1 1 388.432 0.445 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573377595 947850924 /nfs/dbraw/zinc/85/09/24/947850924.db2.gz OYPCURYLNSUHOU-CYBMUJFWSA-N -1 1 388.432 0.445 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573377724 947852719 /nfs/dbraw/zinc/85/27/19/947852719.db2.gz RGGGOCMBVGJYGJ-DZGCQCFKSA-N -1 1 384.444 0.762 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573377724 947852724 /nfs/dbraw/zinc/85/27/24/947852724.db2.gz RGGGOCMBVGJYGJ-DZGCQCFKSA-N -1 1 384.444 0.762 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573641780 947860152 /nfs/dbraw/zinc/86/01/52/947860152.db2.gz NFDCGKNHKBHFGR-VHSXEESVSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573641780 947860156 /nfs/dbraw/zinc/86/01/56/947860156.db2.gz NFDCGKNHKBHFGR-VHSXEESVSA-N -1 1 382.375 0.587 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573381215 947871312 /nfs/dbraw/zinc/87/13/12/947871312.db2.gz QSIVFHYUEFUPKU-QMMMGPOBSA-N -1 1 387.853 0.625 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573381215 947871320 /nfs/dbraw/zinc/87/13/20/947871320.db2.gz QSIVFHYUEFUPKU-QMMMGPOBSA-N -1 1 387.853 0.625 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001573645878 947872325 /nfs/dbraw/zinc/87/23/25/947872325.db2.gz CAXYMCNTWUORKZ-MBNYWOFBSA-N -1 1 380.416 0.152 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001573645878 947872333 /nfs/dbraw/zinc/87/23/33/947872333.db2.gz CAXYMCNTWUORKZ-MBNYWOFBSA-N -1 1 380.416 0.152 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C(F)(F)F ZINC001573647305 947888867 /nfs/dbraw/zinc/88/88/67/947888867.db2.gz HLMLCLFOGNGXGU-LPEHRKFASA-N -1 1 382.350 0.750 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)n1cccn1 ZINC001573647405 947891471 /nfs/dbraw/zinc/89/14/71/947891471.db2.gz KFJUMHCWNIYDPK-RWMBFGLXSA-N -1 1 380.416 0.009 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)n1cccn1 ZINC001573647405 947891476 /nfs/dbraw/zinc/89/14/76/947891476.db2.gz KFJUMHCWNIYDPK-RWMBFGLXSA-N -1 1 380.416 0.009 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001573383815 947895640 /nfs/dbraw/zinc/89/56/40/947895640.db2.gz XSIBVFTXJRNYAC-CYBMUJFWSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001573383815 947895649 /nfs/dbraw/zinc/89/56/49/947895649.db2.gz XSIBVFTXJRNYAC-CYBMUJFWSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573384189 947898727 /nfs/dbraw/zinc/89/87/27/947898727.db2.gz IPYAQAPVRJBOQP-MNOVXSKESA-N -1 1 379.446 0.057 20 0 GCADMM C[C@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573651190 947918279 /nfs/dbraw/zinc/91/82/79/947918279.db2.gz JRTFOOIDRGJZIV-GMTAPVOTSA-N -1 1 376.421 0.740 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)n1cccn1 ZINC001573651734 947925673 /nfs/dbraw/zinc/92/56/73/947925673.db2.gz QCKYEGDRIIKWAI-MCIONIFRSA-N -1 1 394.443 0.399 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)n1cccn1 ZINC001573651734 947925682 /nfs/dbraw/zinc/92/56/82/947925682.db2.gz QCKYEGDRIIKWAI-MCIONIFRSA-N -1 1 394.443 0.399 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573391441 947935522 /nfs/dbraw/zinc/93/55/22/947935522.db2.gz IITZVTOYCDAKHA-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573391441 947935529 /nfs/dbraw/zinc/93/55/29/947935529.db2.gz IITZVTOYCDAKHA-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573391746 947935943 /nfs/dbraw/zinc/93/59/43/947935943.db2.gz IZSKUCDUWLGPLT-SMDDNHRTSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573391746 947935948 /nfs/dbraw/zinc/93/59/48/947935948.db2.gz IZSKUCDUWLGPLT-SMDDNHRTSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392017 947940894 /nfs/dbraw/zinc/94/08/94/947940894.db2.gz PBWBTCNOSRKFIK-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392017 947940898 /nfs/dbraw/zinc/94/08/98/947940898.db2.gz PBWBTCNOSRKFIK-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573392136 947941412 /nfs/dbraw/zinc/94/14/12/947941412.db2.gz UKSAFXPEMXBQDZ-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573392136 947941417 /nfs/dbraw/zinc/94/14/17/947941417.db2.gz UKSAFXPEMXBQDZ-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573392097 947941552 /nfs/dbraw/zinc/94/15/52/947941552.db2.gz RWLDUMHZTSHBDN-UHFFFAOYSA-N -1 1 384.853 0.104 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573392121 947941925 /nfs/dbraw/zinc/94/19/25/947941925.db2.gz STYVWKBBRKQEHN-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573392121 947941932 /nfs/dbraw/zinc/94/19/32/947941932.db2.gz STYVWKBBRKQEHN-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573392687 947950377 /nfs/dbraw/zinc/95/03/77/947950377.db2.gz FAPHUCSWWMOFNC-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573392687 947950381 /nfs/dbraw/zinc/95/03/81/947950381.db2.gz FAPHUCSWWMOFNC-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573392670 947950701 /nfs/dbraw/zinc/95/07/01/947950701.db2.gz DKQCZMPUISSOGZ-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573392670 947950707 /nfs/dbraw/zinc/95/07/07/947950707.db2.gz DKQCZMPUISSOGZ-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573392700 947950993 /nfs/dbraw/zinc/95/09/93/947950993.db2.gz FICQJTLDCCNJJL-ZDUSSCGKSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573392700 947950998 /nfs/dbraw/zinc/95/09/98/947950998.db2.gz FICQJTLDCCNJJL-ZDUSSCGKSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573392890 947952972 /nfs/dbraw/zinc/95/29/72/947952972.db2.gz HLTYSMMURBOIOI-ZDUSSCGKSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573392890 947952977 /nfs/dbraw/zinc/95/29/77/947952977.db2.gz HLTYSMMURBOIOI-ZDUSSCGKSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573392883 947953300 /nfs/dbraw/zinc/95/33/00/947953300.db2.gz HKWPWDHRJMYYQF-BXUZGUMPSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573392883 947953304 /nfs/dbraw/zinc/95/33/04/947953304.db2.gz HKWPWDHRJMYYQF-BXUZGUMPSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573393891 947960862 /nfs/dbraw/zinc/96/08/62/947960862.db2.gz QHKHSYGKJFIKSD-CYBMUJFWSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573393891 947960870 /nfs/dbraw/zinc/96/08/70/947960870.db2.gz QHKHSYGKJFIKSD-CYBMUJFWSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573393726 947960889 /nfs/dbraw/zinc/96/08/89/947960889.db2.gz PJCLCHRPPCURTF-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573393726 947960896 /nfs/dbraw/zinc/96/08/96/947960896.db2.gz PJCLCHRPPCURTF-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573394342 947962305 /nfs/dbraw/zinc/96/23/05/947962305.db2.gz SIQYMURDANEAHD-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573394342 947962310 /nfs/dbraw/zinc/96/23/10/947962310.db2.gz SIQYMURDANEAHD-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)n1cccn1 ZINC001573654243 947963112 /nfs/dbraw/zinc/96/31/12/947963112.db2.gz QCYYICSPVHAZNO-VXGBXAGGSA-N -1 1 384.448 0.479 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573394693 947966713 /nfs/dbraw/zinc/96/67/13/947966713.db2.gz VBFVNCASVLXWLC-DGCLKSJQSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573394693 947966716 /nfs/dbraw/zinc/96/67/16/947966716.db2.gz VBFVNCASVLXWLC-DGCLKSJQSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573395645 947969851 /nfs/dbraw/zinc/96/98/51/947969851.db2.gz ZOYOCPSBZIPNEV-BXKDBHETSA-N -1 1 392.489 0.759 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573395571 947970517 /nfs/dbraw/zinc/97/05/17/947970517.db2.gz ZEWSRNLNLKCXRP-MFKMUULPSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573395571 947970521 /nfs/dbraw/zinc/97/05/21/947970521.db2.gz ZEWSRNLNLKCXRP-MFKMUULPSA-N -1 1 387.448 0.092 20 0 GCADMM 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CC(=O)N1CC(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC(C)C)C1 ZINC001573417754 948113861 /nfs/dbraw/zinc/11/38/61/948113861.db2.gz BBAZVYLGVCVNPB-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573419632 948125791 /nfs/dbraw/zinc/12/57/91/948125791.db2.gz NWIUPYQYFKCHJR-RKDXNWHRSA-N -1 1 392.489 0.805 20 0 GCADMM C[C@@H](C(=O)NCC(=O)c1cc2c(s1)CCCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573677367 948135816 /nfs/dbraw/zinc/13/58/16/948135816.db2.gz CYGLFMCMUZORFL-VIFPVBQESA-N -1 1 386.441 0.959 20 0 GCADMM CC(=O)N1CC(C(=O)NCC2CC(Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573422210 948139702 /nfs/dbraw/zinc/13/97/02/948139702.db2.gz IQCZEGMVFMTDPF-UHFFFAOYSA-N -1 1 390.473 0.417 20 0 GCADMM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000826364236 948140180 /nfs/dbraw/zinc/14/01/80/948140180.db2.gz PFHWJIAKDCKQEI-SNVBAGLBSA-N -1 1 386.441 0.583 20 0 GCADMM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000826364236 948140185 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CC(=O)N1CCC(C(=O)N(C)CCNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573430482 948176221 /nfs/dbraw/zinc/17/62/21/948176221.db2.gz PAAKEULQIRHHCT-UHFFFAOYSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)CCNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573430482 948176224 /nfs/dbraw/zinc/17/62/24/948176224.db2.gz PAAKEULQIRHHCT-UHFFFAOYSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573431021 948178890 /nfs/dbraw/zinc/17/88/90/948178890.db2.gz UIWQIZLYTQWBTO-NSHDSACASA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573431021 948178895 /nfs/dbraw/zinc/17/88/95/948178895.db2.gz UIWQIZLYTQWBTO-NSHDSACASA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573431092 948179535 /nfs/dbraw/zinc/17/95/35/948179535.db2.gz VGSOUDWIIVEJJA-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573431092 948179540 /nfs/dbraw/zinc/17/95/40/948179540.db2.gz VGSOUDWIIVEJJA-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573431857 948181787 /nfs/dbraw/zinc/18/17/87/948181787.db2.gz AGUAYLUMISCDKE-INIZCTEOSA-N -1 1 392.489 0.443 20 0 GCADMM C[C@H](C(=O)NCC(=O)c1cc(Cl)ccc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573680562 948182570 /nfs/dbraw/zinc/18/25/70/948182570.db2.gz QYJCQHVVBDXXFD-SSDOTTSWSA-N -1 1 378.755 0.811 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573432498 948189237 /nfs/dbraw/zinc/18/92/37/948189237.db2.gz GNSVLZVICSPLAI-PIGZYNQJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573432498 948189244 /nfs/dbraw/zinc/18/92/44/948189244.db2.gz GNSVLZVICSPLAI-PIGZYNQJSA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573681224 948197166 /nfs/dbraw/zinc/19/71/66/948197166.db2.gz 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CC(=O)N1CC[C@](C)(C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434556 948216061 /nfs/dbraw/zinc/21/60/61/948216061.db2.gz QJAOXMCMZLRDDU-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434556 948216068 /nfs/dbraw/zinc/21/60/68/948216068.db2.gz QJAOXMCMZLRDDU-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573434989 948224278 /nfs/dbraw/zinc/22/42/78/948224278.db2.gz UMTBASHJEMSQHT-INIZCTEOSA-N -1 1 392.489 0.760 20 0 GCADMM C[C@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573690304 948225552 /nfs/dbraw/zinc/22/55/52/948225552.db2.gz CVCLXIZXWHMXTQ-SECBINFHSA-N -1 1 377.409 0.193 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573435394 948228205 /nfs/dbraw/zinc/22/82/05/948228205.db2.gz WNHNFHCBYNSSKF-QGZVFWFLSA-N -1 1 389.485 0.487 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 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386.460 0.592 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573694713 948298182 /nfs/dbraw/zinc/29/81/82/948298182.db2.gz DCUXOZDMAWATMZ-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573694713 948298190 /nfs/dbraw/zinc/29/81/90/948298190.db2.gz DCUXOZDMAWATMZ-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573695141 948299813 /nfs/dbraw/zinc/29/98/13/948299813.db2.gz FFJXMAVBLLXBAA-APPDUMDISA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573695141 948299827 /nfs/dbraw/zinc/29/98/27/948299827.db2.gz FFJXMAVBLLXBAA-APPDUMDISA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCC1 ZINC001573695606 948306705 /nfs/dbraw/zinc/30/67/05/948306705.db2.gz XXWLDFNNWSPHQG-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCC1 ZINC001573695606 948306714 /nfs/dbraw/zinc/30/67/14/948306714.db2.gz XXWLDFNNWSPHQG-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573443808 948307821 /nfs/dbraw/zinc/30/78/21/948307821.db2.gz PROVWDZBBXPFKF-BXKDBHETSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573443896 948309887 /nfs/dbraw/zinc/30/98/87/948309887.db2.gz QHELLRFKZOZUDS-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573443896 948309894 /nfs/dbraw/zinc/30/98/94/948309894.db2.gz QHELLRFKZOZUDS-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573443895 948310893 /nfs/dbraw/zinc/31/08/93/948310893.db2.gz QHELLRFKZOZUDS-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573443895 948310898 /nfs/dbraw/zinc/31/08/98/948310898.db2.gz QHELLRFKZOZUDS-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)n1cccn1 ZINC001573695807 948311933 /nfs/dbraw/zinc/31/19/33/948311933.db2.gz IVIOMWMWCYTWQF-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)n1cccn1 ZINC001573695807 948311941 /nfs/dbraw/zinc/31/19/41/948311941.db2.gz IVIOMWMWCYTWQF-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM CC(=O)N1CCC[C@@H](N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2=O)C1 ZINC001573444658 948316658 /nfs/dbraw/zinc/31/66/58/948316658.db2.gz VFHJUSNFPQXYFB-GFCCVEGCSA-N -1 1 390.473 0.291 20 0 GCADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573696222 948319847 /nfs/dbraw/zinc/31/98/47/948319847.db2.gz MGJRDLCRMZDLIZ-LLVKDONJSA-N -1 1 388.457 0.049 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573444852 948320050 /nfs/dbraw/zinc/32/00/50/948320050.db2.gz WNFIGALKQJTIIL-AAEUAGOBSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573444852 948320059 /nfs/dbraw/zinc/32/00/59/948320059.db2.gz WNFIGALKQJTIIL-AAEUAGOBSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573444856 948320206 /nfs/dbraw/zinc/32/02/06/948320206.db2.gz WNFIGALKQJTIIL-WCQYABFASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573444856 948320217 /nfs/dbraw/zinc/32/02/17/948320217.db2.gz WNFIGALKQJTIIL-WCQYABFASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573444854 948320418 /nfs/dbraw/zinc/32/04/18/948320418.db2.gz WNFIGALKQJTIIL-DGCLKSJQSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573444854 948320433 /nfs/dbraw/zinc/32/04/33/948320433.db2.gz WNFIGALKQJTIIL-DGCLKSJQSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573446244 948327003 /nfs/dbraw/zinc/32/70/03/948327003.db2.gz BPYIWTBKOVHSHB-ORHYLEIMSA-N -1 1 385.432 0.069 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573446244 948327011 /nfs/dbraw/zinc/32/70/11/948327011.db2.gz BPYIWTBKOVHSHB-ORHYLEIMSA-N -1 1 385.432 0.069 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573696575 948327967 /nfs/dbraw/zinc/32/79/67/948327967.db2.gz SGGOBHGDLSLMKN-PIGZYNQJSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573696575 948327976 /nfs/dbraw/zinc/32/79/76/948327976.db2.gz SGGOBHGDLSLMKN-PIGZYNQJSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573696572 948328123 /nfs/dbraw/zinc/32/81/23/948328123.db2.gz SGGOBHGDLSLMKN-APPDUMDISA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573696572 948328134 /nfs/dbraw/zinc/32/81/34/948328134.db2.gz SGGOBHGDLSLMKN-APPDUMDISA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)[C@H]1CCC(=O)N1 ZINC001573696545 948329308 /nfs/dbraw/zinc/32/93/08/948329308.db2.gz RVVVMLPIGXZRBP-WDEREUQCSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573696545 948329316 /nfs/dbraw/zinc/32/93/16/948329316.db2.gz RVVVMLPIGXZRBP-WDEREUQCSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573696737 948331878 /nfs/dbraw/zinc/33/18/78/948331878.db2.gz WPIWXUYVAALCFN-PSLIRLAXSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573696737 948331886 /nfs/dbraw/zinc/33/18/86/948331886.db2.gz WPIWXUYVAALCFN-PSLIRLAXSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)(F)F ZINC001573696766 948334867 /nfs/dbraw/zinc/33/48/67/948334867.db2.gz WWLFLZKWGKKKLG-SECBINFHSA-N -1 1 386.428 0.882 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573446835 948336945 /nfs/dbraw/zinc/33/69/45/948336945.db2.gz PDJOBJDSXCFDPX-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573446835 948336950 /nfs/dbraw/zinc/33/69/50/948336950.db2.gz PDJOBJDSXCFDPX-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573447073 948339752 /nfs/dbraw/zinc/33/97/52/948339752.db2.gz TXPJIUYTWYJZGX-QWHCGFSZSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573447073 948339761 /nfs/dbraw/zinc/33/97/61/948339761.db2.gz TXPJIUYTWYJZGX-QWHCGFSZSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573447060 948340644 /nfs/dbraw/zinc/34/06/44/948340644.db2.gz SYYMFFGIVGSKKR-IINYFYTJSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573447060 948340652 /nfs/dbraw/zinc/34/06/52/948340652.db2.gz SYYMFFGIVGSKKR-IINYFYTJSA-N -1 1 387.448 0.140 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573702018 948342562 /nfs/dbraw/zinc/34/25/62/948342562.db2.gz CNDZPCUQFWTMTM-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573702321 948344438 /nfs/dbraw/zinc/34/44/38/948344438.db2.gz DTCJAZABVDVGHA-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573702321 948344448 /nfs/dbraw/zinc/34/44/48/948344448.db2.gz DTCJAZABVDVGHA-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573703208 948354192 /nfs/dbraw/zinc/35/41/92/948354192.db2.gz IWBGCAGOSBMSNT-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573703208 948354201 /nfs/dbraw/zinc/35/42/01/948354201.db2.gz IWBGCAGOSBMSNT-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573703417 948355229 /nfs/dbraw/zinc/35/52/29/948355229.db2.gz JYUJDTUEEOIDBS-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573703417 948355237 /nfs/dbraw/zinc/35/52/37/948355237.db2.gz JYUJDTUEEOIDBS-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573704501 948373704 /nfs/dbraw/zinc/37/37/04/948373704.db2.gz BHQJQBVFPULXDY-VHSXEESVSA-N -1 1 384.487 0.052 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)C1CCC1 ZINC001573705057 948389142 /nfs/dbraw/zinc/38/91/42/948389142.db2.gz COKGEFAYKUXXEP-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573705188 948393604 /nfs/dbraw/zinc/39/36/04/948393604.db2.gz DCFQQNJIMNEUOM-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573705188 948393608 /nfs/dbraw/zinc/39/36/08/948393608.db2.gz DCFQQNJIMNEUOM-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CCCC1 ZINC001573705357 948398870 /nfs/dbraw/zinc/39/88/70/948398870.db2.gz DYWACJSSPBXEPW-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CCCC1 ZINC001573705357 948398878 /nfs/dbraw/zinc/39/88/78/948398878.db2.gz DYWACJSSPBXEPW-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CCC1 ZINC001573705913 948409162 /nfs/dbraw/zinc/40/91/62/948409162.db2.gz HJBYUGZONVPTCC-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CCC1 ZINC001573705913 948409166 /nfs/dbraw/zinc/40/91/66/948409166.db2.gz HJBYUGZONVPTCC-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCCC1 ZINC001573706400 948418470 /nfs/dbraw/zinc/41/84/70/948418470.db2.gz IYHHAGLSSCAQTF-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573706793 948424539 /nfs/dbraw/zinc/42/45/39/948424539.db2.gz LFBFGFGUAVAATE-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573706946 948425993 /nfs/dbraw/zinc/42/59/93/948425993.db2.gz LRXRTLYUQLLTCS-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573706946 948426001 /nfs/dbraw/zinc/42/60/01/948426001.db2.gz LRXRTLYUQLLTCS-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573706873 948426328 /nfs/dbraw/zinc/42/63/28/948426328.db2.gz LKVQYJJIMOATPM-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573706873 948426335 /nfs/dbraw/zinc/42/63/35/948426335.db2.gz LKVQYJJIMOATPM-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573706950 948427075 /nfs/dbraw/zinc/42/70/75/948427075.db2.gz LRXRTLYUQLLTCS-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573706950 948427079 /nfs/dbraw/zinc/42/70/79/948427079.db2.gz LRXRTLYUQLLTCS-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(C)(F)F ZINC001573707093 948428379 /nfs/dbraw/zinc/42/83/79/948428379.db2.gz MICSFAXQLUTUHP-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(C)(F)F ZINC001573707093 948428384 /nfs/dbraw/zinc/42/83/84/948428384.db2.gz MICSFAXQLUTUHP-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573707591 948437174 /nfs/dbraw/zinc/43/71/74/948437174.db2.gz OULJBSPSFARIEC-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1ccco1 ZINC001573707833 948439619 /nfs/dbraw/zinc/43/96/19/948439619.db2.gz QCFNJKOKMRUHPY-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1ccco1 ZINC001573707833 948439627 /nfs/dbraw/zinc/43/96/27/948439627.db2.gz QCFNJKOKMRUHPY-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573707901 948441697 /nfs/dbraw/zinc/44/16/97/948441697.db2.gz QHWDVDMTTADPLQ-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573707901 948441698 /nfs/dbraw/zinc/44/16/98/948441698.db2.gz QHWDVDMTTADPLQ-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(F)(F)F ZINC001573708259 948445957 /nfs/dbraw/zinc/44/59/57/948445957.db2.gz SHKSOTFALUTQQF-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573708269 948445995 /nfs/dbraw/zinc/44/59/95/948445995.db2.gz SNYZEIPKUSNSOG-CHWSQXEVSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573708531 948452139 /nfs/dbraw/zinc/45/21/39/948452139.db2.gz WITVDXUPALVBTK-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573708531 948452142 /nfs/dbraw/zinc/45/21/42/948452142.db2.gz WITVDXUPALVBTK-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(C)(F)F ZINC001573708856 948460235 /nfs/dbraw/zinc/46/02/35/948460235.db2.gz XXCDVDLWKHQGRP-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(C)(F)F ZINC001573708856 948460239 /nfs/dbraw/zinc/46/02/39/948460239.db2.gz XXCDVDLWKHQGRP-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NCCNC(=O)OCc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573717539 948509507 /nfs/dbraw/zinc/50/95/07/948509507.db2.gz FKCMLYUGQVLHFK-LLVKDONJSA-N -1 1 385.388 0.062 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)n1cncn1 ZINC001573718746 948519852 /nfs/dbraw/zinc/51/98/52/948519852.db2.gz KCHWLIGENRQODM-SSDOTTSWSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)n1cncn1 ZINC001573718746 948519856 /nfs/dbraw/zinc/51/98/56/948519856.db2.gz KCHWLIGENRQODM-SSDOTTSWSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573719256 948525396 /nfs/dbraw/zinc/52/53/96/948525396.db2.gz MITWHHTZNRRXIN-SECBINFHSA-N -1 1 387.370 0.092 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573729063 948565679 /nfs/dbraw/zinc/56/56/79/948565679.db2.gz FVTMUPBBZXOKDF-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573729063 948565692 /nfs/dbraw/zinc/56/56/92/948565692.db2.gz FVTMUPBBZXOKDF-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NCc1sncc1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573729081 948566370 /nfs/dbraw/zinc/56/63/70/948566370.db2.gz GARSTHXCUCDWBB-YFKPBYRVSA-N -1 1 384.223 0.555 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573732096 948600286 /nfs/dbraw/zinc/60/02/86/948600286.db2.gz LAZCYMKKVVTPSM-VHSXEESVSA-N -1 1 390.429 0.300 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1)n1cncn1 ZINC001573732646 948606165 /nfs/dbraw/zinc/60/61/65/948606165.db2.gz TZKGRTXCAMKGDY-NKWVEPMBSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1)n1cncn1 ZINC001573732646 948606168 /nfs/dbraw/zinc/60/61/68/948606168.db2.gz TZKGRTXCAMKGDY-NKWVEPMBSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)N(C)CC(F)(F)F ZINC001573732836 948609694 /nfs/dbraw/zinc/60/96/94/948609694.db2.gz ZEUFJISNJHWKFF-DTWKUNHWSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)N(C)CC(F)(F)F ZINC001573732836 948609697 /nfs/dbraw/zinc/60/96/97/948609697.db2.gz ZEUFJISNJHWKFF-DTWKUNHWSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573736076 948612844 /nfs/dbraw/zinc/61/28/44/948612844.db2.gz GOFJEWADMLDDDT-YNEHKIRRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573736076 948612847 /nfs/dbraw/zinc/61/28/47/948612847.db2.gz GOFJEWADMLDDDT-YNEHKIRRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573739647 948621284 /nfs/dbraw/zinc/62/12/84/948621284.db2.gz FWESVWMJHUKCRS-UHIISALHSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573739647 948621290 /nfs/dbraw/zinc/62/12/90/948621290.db2.gz FWESVWMJHUKCRS-UHIISALHSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573740054 948627491 /nfs/dbraw/zinc/62/74/91/948627491.db2.gz CTOXWNQUSZCQNL-NQBHXWOUSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccsc1 ZINC001573741157 948651339 /nfs/dbraw/zinc/65/13/39/948651339.db2.gz UBLYBGNMZJVHJE-WQAKAFBOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccsc1 ZINC001573741157 948651345 /nfs/dbraw/zinc/65/13/45/948651345.db2.gz UBLYBGNMZJVHJE-WQAKAFBOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)c1cnn(C)c1 ZINC001573745686 948674751 /nfs/dbraw/zinc/67/47/51/948674751.db2.gz GSSHEITWHGEPAC-WZRBSPASSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573746094 948678573 /nfs/dbraw/zinc/67/85/73/948678573.db2.gz ITDXCYDJIUVSAW-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573746094 948678579 /nfs/dbraw/zinc/67/85/79/948678579.db2.gz ITDXCYDJIUVSAW-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573746539 948684799 /nfs/dbraw/zinc/68/47/99/948684799.db2.gz NWXWGGXJHOYLLG-AVGNSLFASA-N -1 1 382.432 0.376 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573751908 948706481 /nfs/dbraw/zinc/70/64/81/948706481.db2.gz HPNWNLSHDRVOIX-RFHZTLPTSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573751908 948706485 /nfs/dbraw/zinc/70/64/85/948706485.db2.gz HPNWNLSHDRVOIX-RFHZTLPTSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573751909 948706846 /nfs/dbraw/zinc/70/68/46/948706846.db2.gz HPNWNLSHDRVOIX-XCCSTKFXSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573751909 948706849 /nfs/dbraw/zinc/70/68/49/948706849.db2.gz HPNWNLSHDRVOIX-XCCSTKFXSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573753608 948719618 /nfs/dbraw/zinc/71/96/18/948719618.db2.gz VXOGYKBQXYPUQN-NMKXLXIOSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573753608 948719625 /nfs/dbraw/zinc/71/96/25/948719625.db2.gz VXOGYKBQXYPUQN-NMKXLXIOSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)S(=O)(=O)c1ccc(F)cc1 ZINC001573754505 948740799 /nfs/dbraw/zinc/74/07/99/948740799.db2.gz GGKRSYVETYBZLX-MRVPVSSYSA-N -1 1 379.377 0.540 20 0 GCADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)S(=O)(=O)c1ccc(F)cc1 ZINC001573754505 948740805 /nfs/dbraw/zinc/74/08/05/948740805.db2.gz GGKRSYVETYBZLX-MRVPVSSYSA-N -1 1 379.377 0.540 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574678354 948748299 /nfs/dbraw/zinc/74/82/99/948748299.db2.gz DOHSETWMTQCTMA-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574678354 948748307 /nfs/dbraw/zinc/74/83/07/948748307.db2.gz DOHSETWMTQCTMA-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574678410 948749836 /nfs/dbraw/zinc/74/98/36/948749836.db2.gz FPBRHODXGLXXGH-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574678410 948749844 /nfs/dbraw/zinc/74/98/44/948749844.db2.gz FPBRHODXGLXXGH-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nn(C)cc1Cl ZINC001574678516 948752979 /nfs/dbraw/zinc/75/29/79/948752979.db2.gz GNWOKHPIVPSHPA-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nn(C)cc1Cl ZINC001574678516 948752993 /nfs/dbraw/zinc/75/29/93/948752993.db2.gz GNWOKHPIVPSHPA-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C(N)=O)cs1 ZINC001574678677 948755887 /nfs/dbraw/zinc/75/58/87/948755887.db2.gz HZGCBCSNFXQSPM-QMMMGPOBSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C(N)=O)cs1 ZINC001574678677 948755894 /nfs/dbraw/zinc/75/58/94/948755894.db2.gz HZGCBCSNFXQSPM-QMMMGPOBSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@@H](C(=O)Nc1nccc(Br)c1[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001573755246 948757453 /nfs/dbraw/zinc/75/74/53/948757453.db2.gz NCUHJNJLCFOFFH-YFKPBYRVSA-N -1 1 380.166 0.521 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001574416659 948757512 /nfs/dbraw/zinc/75/75/12/948757512.db2.gz BTMQSTGFZZFJMR-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001574416659 948757525 /nfs/dbraw/zinc/75/75/25/948757525.db2.gz BTMQSTGFZZFJMR-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574914903 948761402 /nfs/dbraw/zinc/76/14/02/948761402.db2.gz OVTMTSHRRBSYQG-NSHDSACASA-N -1 1 383.416 0.554 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574914903 948761412 /nfs/dbraw/zinc/76/14/12/948761412.db2.gz OVTMTSHRRBSYQG-NSHDSACASA-N -1 1 383.416 0.554 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cncnc1C1CC1 ZINC001574679002 948762553 /nfs/dbraw/zinc/76/25/53/948762553.db2.gz LPZJDVUWRUGXJN-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cncnc1C1CC1 ZINC001574679002 948762562 /nfs/dbraw/zinc/76/25/62/948762562.db2.gz LPZJDVUWRUGXJN-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccn(CC(F)F)n1 ZINC001574678880 948763763 /nfs/dbraw/zinc/76/37/63/948763763.db2.gz KTTDMYCEOGNXSD-SECBINFHSA-N -1 1 392.374 0.739 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccn(CC(F)F)n1 ZINC001574678880 948763778 /nfs/dbraw/zinc/76/37/78/948763778.db2.gz KTTDMYCEOGNXSD-SECBINFHSA-N -1 1 392.374 0.739 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574417175 948766431 /nfs/dbraw/zinc/76/64/31/948766431.db2.gz MWBZCGKCKACTAH-AWEZNQCLSA-N -1 1 382.428 0.405 20 0 GCADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001574079709 948776697 /nfs/dbraw/zinc/77/66/97/948776697.db2.gz FPBRLWYHGGBQBW-PRJMDXOYSA-N -1 1 389.844 0.636 20 0 GCADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001574079709 948776703 /nfs/dbraw/zinc/77/67/03/948776703.db2.gz FPBRLWYHGGBQBW-PRJMDXOYSA-N -1 1 389.844 0.636 20 0 GCADMM CC(C)c1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574418476 948777482 /nfs/dbraw/zinc/77/74/82/948777482.db2.gz WUBKMBYJYMBKBS-GFCCVEGCSA-N -1 1 379.428 0.924 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574679399 948779697 /nfs/dbraw/zinc/77/96/97/948779697.db2.gz UTVVTGQODVLVJB-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574679399 948779709 /nfs/dbraw/zinc/77/97/09/948779709.db2.gz UTVVTGQODVLVJB-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574679501 948784470 /nfs/dbraw/zinc/78/44/70/948784470.db2.gz WISSXAHKQNMBFW-VIFPVBQESA-N -1 1 386.424 0.019 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574679501 948784480 /nfs/dbraw/zinc/78/44/80/948784480.db2.gz WISSXAHKQNMBFW-VIFPVBQESA-N -1 1 386.424 0.019 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574419611 948787195 /nfs/dbraw/zinc/78/71/95/948787195.db2.gz GVSZKQNMSKVYAT-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574419611 948787207 /nfs/dbraw/zinc/78/72/07/948787207.db2.gz GVSZKQNMSKVYAT-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574679571 948787335 /nfs/dbraw/zinc/78/73/35/948787335.db2.gz YDXYQRPGHDXIGH-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574679571 948787353 /nfs/dbraw/zinc/78/73/53/948787353.db2.gz YDXYQRPGHDXIGH-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncc(F)cc1F ZINC001574679601 948789789 /nfs/dbraw/zinc/78/97/89/948789789.db2.gz YMGDTYPWKOTCEP-QMMMGPOBSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncc(F)cc1F ZINC001574679601 948789800 /nfs/dbraw/zinc/78/98/00/948789800.db2.gz YMGDTYPWKOTCEP-QMMMGPOBSA-N -1 1 375.343 0.950 20 0 GCADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224720 948790965 /nfs/dbraw/zinc/79/09/65/948790965.db2.gz XPQKIYQHZVXCBT-SNVBAGLBSA-N -1 1 378.387 0.917 20 0 GCADMM CC(C)c1cccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)n1 ZINC001574420458 948798873 /nfs/dbraw/zinc/79/88/73/948798873.db2.gz VDNALYLHHNMGIT-CABCVRRESA-N -1 1 395.427 0.155 20 0 GCADMM CC(C)c1cccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)n1 ZINC001574420458 948798884 /nfs/dbraw/zinc/79/88/84/948798884.db2.gz VDNALYLHHNMGIT-CABCVRRESA-N -1 1 395.427 0.155 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cccnc1 ZINC001573756185 948803573 /nfs/dbraw/zinc/80/35/73/948803573.db2.gz NIEFJLRZSCGIPH-KBNOKHGBSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cccnc1 ZINC001573756185 948803591 /nfs/dbraw/zinc/80/35/91/948803591.db2.gz NIEFJLRZSCGIPH-KBNOKHGBSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cccnc1 ZINC001573756380 948809874 /nfs/dbraw/zinc/80/98/74/948809874.db2.gz PRJGJQHJMIVTFN-CNXAATOLSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cccnc1 ZINC001573756380 948809892 /nfs/dbraw/zinc/80/98/92/948809892.db2.gz PRJGJQHJMIVTFN-CNXAATOLSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001574680872 948810516 /nfs/dbraw/zinc/81/05/16/948810516.db2.gz JHNDZEIEWGBGGZ-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001574680872 948810535 /nfs/dbraw/zinc/81/05/35/948810535.db2.gz JHNDZEIEWGBGGZ-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cccnc1 ZINC001573756563 948821534 /nfs/dbraw/zinc/82/15/34/948821534.db2.gz SXUOFLHPVXQQKI-ZZVYKPCYSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cccnc1 ZINC001573756563 948821554 /nfs/dbraw/zinc/82/15/54/948821554.db2.gz SXUOFLHPVXQQKI-ZZVYKPCYSA-N -1 1 377.412 0.406 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001574421748 948822245 /nfs/dbraw/zinc/82/22/45/948822245.db2.gz NYZAOXAFLHSPIH-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001574421748 948822257 /nfs/dbraw/zinc/82/22/57/948822257.db2.gz NYZAOXAFLHSPIH-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001574081320 948825931 /nfs/dbraw/zinc/82/59/31/948825931.db2.gz RZEOJRRPWCYXNM-CSMHCCOUSA-N -1 1 389.844 0.636 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574683100 948842410 /nfs/dbraw/zinc/84/24/10/948842410.db2.gz UNBYHABUIUNYKM-JUFZMCDQSA-N -1 1 388.432 0.015 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574683100 948842425 /nfs/dbraw/zinc/84/24/25/948842425.db2.gz UNBYHABUIUNYKM-JUFZMCDQSA-N -1 1 388.432 0.015 20 0 GCADMM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574918280 948842893 /nfs/dbraw/zinc/84/28/93/948842893.db2.gz IEBVXDFESOUWBF-LBPRGKRZSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574918280 948842913 /nfs/dbraw/zinc/84/29/13/948842913.db2.gz IEBVXDFESOUWBF-LBPRGKRZSA-N -1 1 383.416 0.215 20 0 GCADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001574082040 948844164 /nfs/dbraw/zinc/84/41/64/948844164.db2.gz ZUMREFCWEVVCQN-FJXKBIBVSA-N -1 1 389.844 0.636 20 0 GCADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001574082040 948844180 /nfs/dbraw/zinc/84/41/80/948844180.db2.gz ZUMREFCWEVVCQN-FJXKBIBVSA-N -1 1 389.844 0.636 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccn(C(F)F)n1 ZINC001574683258 948847341 /nfs/dbraw/zinc/84/73/41/948847341.db2.gz WQOGYRWMDDJPIN-QMMMGPOBSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccn(C(F)F)n1 ZINC001574683258 948847356 /nfs/dbraw/zinc/84/73/56/948847356.db2.gz WQOGYRWMDDJPIN-QMMMGPOBSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@@H](CNC(=O)CCCc1cccnc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574918567 948848205 /nfs/dbraw/zinc/84/82/05/948848205.db2.gz NPSBGMMJHULIOM-CYBMUJFWSA-N -1 1 381.444 0.661 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574424365 948848967 /nfs/dbraw/zinc/84/89/67/948848967.db2.gz MKJFEZSPKBEIGA-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574424365 948848974 /nfs/dbraw/zinc/84/89/74/948848974.db2.gz MKJFEZSPKBEIGA-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)CCCC(N)=O ZINC001574684047 948854856 /nfs/dbraw/zinc/85/48/56/948854856.db2.gz ANVSRYPOLMQBFN-ZETCQYMHSA-N -1 1 386.869 0.939 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)CCCC(N)=O ZINC001574684047 948854872 /nfs/dbraw/zinc/85/48/72/948854872.db2.gz ANVSRYPOLMQBFN-ZETCQYMHSA-N -1 1 386.869 0.939 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ncn(C)n1 ZINC001574684277 948866185 /nfs/dbraw/zinc/86/61/85/948866185.db2.gz CUONUTLOBKEWAD-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ncn(C)n1 ZINC001574684277 948866201 /nfs/dbraw/zinc/86/62/01/948866201.db2.gz CUONUTLOBKEWAD-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cn(C)nn1 ZINC001574684407 948867231 /nfs/dbraw/zinc/86/72/31/948867231.db2.gz FSDKPFSNLNMOKL-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cn(C)nn1 ZINC001574684407 948867250 /nfs/dbraw/zinc/86/72/50/948867250.db2.gz FSDKPFSNLNMOKL-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1COCCO1 ZINC001574684644 948876727 /nfs/dbraw/zinc/87/67/27/948876727.db2.gz JPYFHVDNJMZBNJ-SFYZADRCSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1COCCO1 ZINC001574684644 948876752 /nfs/dbraw/zinc/87/67/52/948876752.db2.gz JPYFHVDNJMZBNJ-SFYZADRCSA-N -1 1 387.853 0.699 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575233799 948891429 /nfs/dbraw/zinc/89/14/29/948891429.db2.gz LXHJPQWGLYQWNI-RXMQYKEDSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575233799 948891444 /nfs/dbraw/zinc/89/14/44/948891444.db2.gz LXHJPQWGLYQWNI-RXMQYKEDSA-N -1 1 381.796 0.911 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001574427205 948900461 /nfs/dbraw/zinc/90/04/61/948900461.db2.gz BPLUIWHNDZXHBV-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001574427205 948900469 /nfs/dbraw/zinc/90/04/69/948900469.db2.gz BPLUIWHNDZXHBV-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cs1 ZINC001574427083 948900898 /nfs/dbraw/zinc/90/08/98/948900898.db2.gz YXDWTHUZXHAPGA-UHFFFAOYSA-N -1 1 376.402 0.139 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1COC(=O)N1 ZINC001574685233 948903253 /nfs/dbraw/zinc/90/32/53/948903253.db2.gz UBMCFLRMBUOTFP-PHDIDXHHSA-N -1 1 386.825 0.392 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1COC(=O)N1 ZINC001574685233 948903261 /nfs/dbraw/zinc/90/32/61/948903261.db2.gz UBMCFLRMBUOTFP-PHDIDXHHSA-N -1 1 386.825 0.392 20 0 GCADMM CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001574427400 948903558 /nfs/dbraw/zinc/90/35/58/948903558.db2.gz DXJSPCRUSFKEKI-SNVBAGLBSA-N -1 1 385.457 0.985 20 0 GCADMM CC(C)(C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573765363 948906528 /nfs/dbraw/zinc/90/65/28/948906528.db2.gz ZTXUUGHGPBWUTL-UHFFFAOYSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001573765363 948906536 /nfs/dbraw/zinc/90/65/36/948906536.db2.gz ZTXUUGHGPBWUTL-UHFFFAOYSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCCO1 ZINC001573765418 948910155 /nfs/dbraw/zinc/91/01/55/948910155.db2.gz DLGCHSOTQQEQSG-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCCO1 ZINC001573765418 948910166 /nfs/dbraw/zinc/91/01/66/948910166.db2.gz DLGCHSOTQQEQSG-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCCO1 ZINC001573765431 948911092 /nfs/dbraw/zinc/91/10/92/948911092.db2.gz FISGIEQINDGQIE-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCCO1 ZINC001573765431 948911105 /nfs/dbraw/zinc/91/11/05/948911105.db2.gz FISGIEQINDGQIE-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088276 948917286 /nfs/dbraw/zinc/91/72/86/948917286.db2.gz AHPIHTHAYGIVDQ-OLZOCXBDSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088276 948917301 /nfs/dbraw/zinc/91/73/01/948917301.db2.gz AHPIHTHAYGIVDQ-OLZOCXBDSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)(C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cccnc1 ZINC001573765582 948917500 /nfs/dbraw/zinc/91/75/00/948917500.db2.gz PGJPDCIHQFGMTA-UHFFFAOYSA-N -1 1 379.428 0.678 20 0 GCADMM CC(C)(C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001573765582 948917517 /nfs/dbraw/zinc/91/75/17/948917517.db2.gz PGJPDCIHQFGMTA-UHFFFAOYSA-N -1 1 379.428 0.678 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088309 948918655 /nfs/dbraw/zinc/91/86/55/948918655.db2.gz ATFFSPHHBHIUNG-CHWSQXEVSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088309 948918669 /nfs/dbraw/zinc/91/86/69/948918669.db2.gz ATFFSPHHBHIUNG-CHWSQXEVSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574921507 948923741 /nfs/dbraw/zinc/92/37/41/948923741.db2.gz YYKGWSVPYMNKHL-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574921507 948923746 /nfs/dbraw/zinc/92/37/46/948923746.db2.gz YYKGWSVPYMNKHL-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574431804 948926313 /nfs/dbraw/zinc/92/63/13/948926313.db2.gz BUAQIWNMIGIHCV-UHFFFAOYSA-N -1 1 380.416 0.533 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574432232 948927768 /nfs/dbraw/zinc/92/77/68/948927768.db2.gz FZBACMFNAYVQQS-NSHDSACASA-N -1 1 380.416 0.319 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574431877 948928900 /nfs/dbraw/zinc/92/89/00/948928900.db2.gz DATOEJVSAUTUMN-DGCLKSJQSA-N -1 1 394.443 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574431877 948928907 /nfs/dbraw/zinc/92/89/07/948928907.db2.gz DATOEJVSAUTUMN-DGCLKSJQSA-N -1 1 394.443 0.825 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574923014 948932766 /nfs/dbraw/zinc/93/27/66/948932766.db2.gz BGHQKSVZGPOIBL-SNVBAGLBSA-N -1 1 390.839 0.183 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574432552 948935027 /nfs/dbraw/zinc/93/50/27/948935027.db2.gz MTERREKHAHPGFX-PHIMTYICSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574432552 948935040 /nfs/dbraw/zinc/93/50/40/948935040.db2.gz MTERREKHAHPGFX-PHIMTYICSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574432758 948938448 /nfs/dbraw/zinc/93/84/48/948938448.db2.gz CZPTWNDSRNXYFX-NSHDSACASA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574432758 948938459 /nfs/dbraw/zinc/93/84/59/948938459.db2.gz CZPTWNDSRNXYFX-NSHDSACASA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573771438 948939297 /nfs/dbraw/zinc/93/92/97/948939297.db2.gz HMWVHQMYWUCJOR-UHFFFAOYSA-N -1 1 384.366 0.974 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1c[nH]cn1 ZINC001573771283 948939916 /nfs/dbraw/zinc/93/99/16/948939916.db2.gz FDZQZADHIKCSJL-NSHDSACASA-N -1 1 382.432 0.443 20 0 GCADMM CC(C)c1ncsc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574432711 948940022 /nfs/dbraw/zinc/94/00/22/948940022.db2.gz BGHDWLCWKBCMLY-UHFFFAOYSA-N -1 1 376.402 0.139 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574432930 948941845 /nfs/dbraw/zinc/94/18/45/948941845.db2.gz PTOUEHALLSHKKP-UHFFFAOYSA-N -1 1 380.416 0.945 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574432930 948941856 /nfs/dbraw/zinc/94/18/56/948941856.db2.gz PTOUEHALLSHKKP-UHFFFAOYSA-N -1 1 380.416 0.945 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001575237314 948943443 /nfs/dbraw/zinc/94/34/43/948943443.db2.gz DTDFZMNKNKABBO-KOLCDFICSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001575237314 948943455 /nfs/dbraw/zinc/94/34/55/948943455.db2.gz DTDFZMNKNKABBO-KOLCDFICSA-N -1 1 382.375 0.148 20 0 GCADMM C[C@@H](CNC(=O)CCn1ccnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923370 948944298 /nfs/dbraw/zinc/94/42/98/948944298.db2.gz KVUIWSHLTGRSMO-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@@H](CNC(=O)CCn1ccnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923370 948944310 /nfs/dbraw/zinc/94/43/10/948944310.db2.gz KVUIWSHLTGRSMO-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575237395 948945725 /nfs/dbraw/zinc/94/57/25/948945725.db2.gz FTWDDOWEDVMMGL-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575237395 948945736 /nfs/dbraw/zinc/94/57/36/948945736.db2.gz FTWDDOWEDVMMGL-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573771717 948946394 /nfs/dbraw/zinc/94/63/94/948946394.db2.gz LVLZVOCSCVQPEG-LLVKDONJSA-N -1 1 382.432 0.086 20 0 GCADMM C[C@@H](CNC(=O)CCn1cncn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923328 948947040 /nfs/dbraw/zinc/94/70/40/948947040.db2.gz JVBJAUBOFOJHBO-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@@H](CNC(=O)CCn1cncn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923328 948947048 /nfs/dbraw/zinc/94/70/48/948947048.db2.gz JVBJAUBOFOJHBO-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574433112 948947444 /nfs/dbraw/zinc/94/74/44/948947444.db2.gz HNXRGJFLWJWMEU-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574433112 948947453 /nfs/dbraw/zinc/94/74/53/948947453.db2.gz HNXRGJFLWJWMEU-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575238343 948950378 /nfs/dbraw/zinc/95/03/78/948950378.db2.gz KVVIUBYRRURJHX-MWLCHTKSSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575238343 948950395 /nfs/dbraw/zinc/95/03/95/948950395.db2.gz KVVIUBYRRURJHX-MWLCHTKSSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433344 948951813 /nfs/dbraw/zinc/95/18/13/948951813.db2.gz VKQCZNVOQOFLJQ-NSHDSACASA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433344 948951827 /nfs/dbraw/zinc/95/18/27/948951827.db2.gz VKQCZNVOQOFLJQ-NSHDSACASA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574923514 948952886 /nfs/dbraw/zinc/95/28/86/948952886.db2.gz OTBINEKKIJNJFE-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574923514 948952895 /nfs/dbraw/zinc/95/28/95/948952895.db2.gz OTBINEKKIJNJFE-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433326 948954261 /nfs/dbraw/zinc/95/42/61/948954261.db2.gz UPSDRCPYLMTRIN-NSHDSACASA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433326 948954273 /nfs/dbraw/zinc/95/42/73/948954273.db2.gz UPSDRCPYLMTRIN-NSHDSACASA-N -1 1 380.416 0.579 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001575238422 948954840 /nfs/dbraw/zinc/95/48/40/948954840.db2.gz MXTYWGWNKGHAGB-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001575238422 948954849 /nfs/dbraw/zinc/95/48/49/948954849.db2.gz MXTYWGWNKGHAGB-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574433428 948955442 /nfs/dbraw/zinc/95/54/42/948955442.db2.gz NCKJSNJHFSKACM-UHFFFAOYSA-N -1 1 382.432 0.476 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574433428 948955456 /nfs/dbraw/zinc/95/54/56/948955456.db2.gz NCKJSNJHFSKACM-UHFFFAOYSA-N -1 1 382.432 0.476 20 0 GCADMM CC(C)[C@H]1C[C@H](CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574089567 948959415 /nfs/dbraw/zinc/95/94/15/948959415.db2.gz FKSLUMMFCYKBFZ-DGCLKSJQSA-N -1 1 391.432 0.087 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574433631 948960878 /nfs/dbraw/zinc/96/08/78/948960878.db2.gz ZKASGZDMIOHTOL-NSHDSACASA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574433631 948960892 /nfs/dbraw/zinc/96/08/92/948960892.db2.gz ZKASGZDMIOHTOL-NSHDSACASA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)(C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1c[nH]cn1 ZINC001573772543 948961337 /nfs/dbraw/zinc/96/13/37/948961337.db2.gz UPAIJGODEHKSDD-UHFFFAOYSA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574433844 948968170 /nfs/dbraw/zinc/96/81/70/948968170.db2.gz SHVPTARPYFLSHJ-LLVKDONJSA-N -1 1 384.448 0.508 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573772882 948971529 /nfs/dbraw/zinc/97/15/29/948971529.db2.gz XPWSDJHENVTNCQ-LLVKDONJSA-N -1 1 382.432 0.443 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574925557 948974271 /nfs/dbraw/zinc/97/42/71/948974271.db2.gz BBEKNWRRNZWKNQ-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574925557 948974280 /nfs/dbraw/zinc/97/42/80/948974280.db2.gz BBEKNWRRNZWKNQ-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM CC(C)(C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573773113 948976894 /nfs/dbraw/zinc/97/68/94/948976894.db2.gz HDPARHUKCGVFMB-UHFFFAOYSA-N -1 1 384.487 0.052 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574925708 948977793 /nfs/dbraw/zinc/97/77/93/948977793.db2.gz CCFLWVPNQOPGGA-GFCCVEGCSA-N -1 1 387.448 0.224 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574925708 948977807 /nfs/dbraw/zinc/97/78/07/948977807.db2.gz CCFLWVPNQOPGGA-GFCCVEGCSA-N -1 1 387.448 0.224 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574090501 948985770 /nfs/dbraw/zinc/98/57/70/948985770.db2.gz KRFFXSKNWZSDPY-UONOGXRCSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574090501 948985774 /nfs/dbraw/zinc/98/57/74/948985774.db2.gz KRFFXSKNWZSDPY-UONOGXRCSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574090496 948988051 /nfs/dbraw/zinc/98/80/51/948988051.db2.gz KRFFXSKNWZSDPY-KBPBESRZSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574090496 948988061 /nfs/dbraw/zinc/98/80/61/948988061.db2.gz KRFFXSKNWZSDPY-KBPBESRZSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435451 948993190 /nfs/dbraw/zinc/99/31/90/948993190.db2.gz VILCOPNEAKWVAL-QGZVFWFLSA-N -1 1 385.432 0.925 20 0 GCADMM CC(C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435451 948993200 /nfs/dbraw/zinc/99/32/00/948993200.db2.gz VILCOPNEAKWVAL-QGZVFWFLSA-N -1 1 385.432 0.925 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574689981 948997067 /nfs/dbraw/zinc/99/70/67/948997067.db2.gz MYUVMTHCFHEJHW-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574689981 948997086 /nfs/dbraw/zinc/99/70/86/948997086.db2.gz MYUVMTHCFHEJHW-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 ZINC001574090892 948999022 /nfs/dbraw/zinc/99/90/22/948999022.db2.gz JUSAWHTWZYIESM-RYUDHWBXSA-N -1 1 390.448 0.816 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCO1 ZINC001574090892 948999035 /nfs/dbraw/zinc/99/90/35/948999035.db2.gz JUSAWHTWZYIESM-RYUDHWBXSA-N -1 1 390.448 0.816 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574691058 949010115 /nfs/dbraw/zinc/01/01/15/949010115.db2.gz SRAAHDMHVCEHHR-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574691058 949010131 /nfs/dbraw/zinc/01/01/31/949010131.db2.gz SRAAHDMHVCEHHR-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCO1 ZINC001573774660 949016284 /nfs/dbraw/zinc/01/62/84/949016284.db2.gz PZFWDYNPHRALJR-DGCLKSJQSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCO1 ZINC001573774660 949016300 /nfs/dbraw/zinc/01/63/00/949016300.db2.gz PZFWDYNPHRALJR-DGCLKSJQSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001573774579 949016921 /nfs/dbraw/zinc/01/69/21/949016921.db2.gz OGGZQIYSPDANJN-NWDGAFQWSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001573774579 949016937 /nfs/dbraw/zinc/01/69/37/949016937.db2.gz OGGZQIYSPDANJN-NWDGAFQWSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574440128 949025497 /nfs/dbraw/zinc/02/54/97/949025497.db2.gz OASOKOZKHRKRCW-SECBINFHSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@@H](c1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC001575502549 949026902 /nfs/dbraw/zinc/02/69/02/949026902.db2.gz HHFOSUBHOQMRQE-NSHDSACASA-N -1 1 381.396 0.917 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574091799 949028864 /nfs/dbraw/zinc/02/88/64/949028864.db2.gz PAZMIRUQZLVXSK-QWHCGFSZSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574091799 949028886 /nfs/dbraw/zinc/02/88/86/949028886.db2.gz PAZMIRUQZLVXSK-QWHCGFSZSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573775053 949029563 /nfs/dbraw/zinc/02/95/63/949029563.db2.gz SQQSROLNEHBBTD-ZDUSSCGKSA-N -1 1 388.476 0.574 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575246360 949032345 /nfs/dbraw/zinc/03/23/45/949032345.db2.gz GEROSUZPYJHABP-LLVKDONJSA-N -1 1 389.464 0.102 20 0 GCADMM CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574440590 949032697 /nfs/dbraw/zinc/03/26/97/949032697.db2.gz UCGWYAYUOKKJCD-VIFPVBQESA-N -1 1 388.461 0.674 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575246366 949032766 /nfs/dbraw/zinc/03/27/66/949032766.db2.gz GEROSUZPYJHABP-NSHDSACASA-N -1 1 389.464 0.102 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575246002 949034783 /nfs/dbraw/zinc/03/47/83/949034783.db2.gz FZOWRDGFQNEDOA-JTQLQIEISA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574927155 949034757 /nfs/dbraw/zinc/03/47/57/949034757.db2.gz GHCHRBCMUCJCCZ-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574927155 949034779 /nfs/dbraw/zinc/03/47/79/949034779.db2.gz GHCHRBCMUCJCCZ-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575246002 949034803 /nfs/dbraw/zinc/03/48/03/949034803.db2.gz FZOWRDGFQNEDOA-JTQLQIEISA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575503047 949035677 /nfs/dbraw/zinc/03/56/77/949035677.db2.gz NMZOLGZJFYLKPG-LLVKDONJSA-N -1 1 381.400 0.580 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575503047 949035697 /nfs/dbraw/zinc/03/56/97/949035697.db2.gz NMZOLGZJFYLKPG-LLVKDONJSA-N -1 1 381.400 0.580 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575503048 949039078 /nfs/dbraw/zinc/03/90/78/949039078.db2.gz NMZOLGZJFYLKPG-NSHDSACASA-N -1 1 381.400 0.580 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575503048 949039097 /nfs/dbraw/zinc/03/90/97/949039097.db2.gz NMZOLGZJFYLKPG-NSHDSACASA-N -1 1 381.400 0.580 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574927206 949040732 /nfs/dbraw/zinc/04/07/32/949040732.db2.gz HFPOGPMHMTVLLV-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574927206 949040749 /nfs/dbraw/zinc/04/07/49/949040749.db2.gz HFPOGPMHMTVLLV-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575247117 949044463 /nfs/dbraw/zinc/04/44/63/949044463.db2.gz IJDMSDHJYCIEPE-GHMZBOCLSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575247117 949044445 /nfs/dbraw/zinc/04/44/45/949044445.db2.gz IJDMSDHJYCIEPE-GHMZBOCLSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247561 949046048 /nfs/dbraw/zinc/04/60/48/949046048.db2.gz JQEQTVARXAQMTQ-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247561 949046027 /nfs/dbraw/zinc/04/60/27/949046027.db2.gz JQEQTVARXAQMTQ-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574927551 949046888 /nfs/dbraw/zinc/04/68/88/949046888.db2.gz KBLZZCHJXDKDHC-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574927551 949046867 /nfs/dbraw/zinc/04/68/67/949046867.db2.gz KBLZZCHJXDKDHC-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574693174 949049088 /nfs/dbraw/zinc/04/90/88/949049088.db2.gz BINLTRMFIVNYTJ-NSHDSACASA-N -1 1 383.416 0.697 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574693174 949049100 /nfs/dbraw/zinc/04/91/00/949049100.db2.gz BINLTRMFIVNYTJ-NSHDSACASA-N -1 1 383.416 0.697 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247563 949049654 /nfs/dbraw/zinc/04/96/54/949049654.db2.gz JQEQTVARXAQMTQ-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247563 949049634 /nfs/dbraw/zinc/04/96/34/949049634.db2.gz JQEQTVARXAQMTQ-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CNC(=O)C(C)(C)C ZINC001574693161 949052875 /nfs/dbraw/zinc/05/28/75/949052875.db2.gz BGLRSNMXQGFANA-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CNC(=O)C(C)(C)C ZINC001574693161 949052896 /nfs/dbraw/zinc/05/28/96/949052896.db2.gz BGLRSNMXQGFANA-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574092247 949055838 /nfs/dbraw/zinc/05/58/38/949055838.db2.gz MVYRYFDSSYLWSB-CHWSQXEVSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574092247 949055869 /nfs/dbraw/zinc/05/58/69/949055869.db2.gz MVYRYFDSSYLWSB-CHWSQXEVSA-N -1 1 386.460 0.714 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574928630 949060462 /nfs/dbraw/zinc/06/04/62/949060462.db2.gz PUACPFLFGBBMJI-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574928630 949060449 /nfs/dbraw/zinc/06/04/49/949060449.db2.gz PUACPFLFGBBMJI-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574928710 949063403 /nfs/dbraw/zinc/06/34/03/949063403.db2.gz RIBYDVZKVIOOMO-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574928710 949063423 /nfs/dbraw/zinc/06/34/23/949063423.db2.gz RIBYDVZKVIOOMO-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574928952 949066991 /nfs/dbraw/zinc/06/69/91/949066991.db2.gz UHVMRUZIAPPURL-LBPRGKRZSA-N -1 1 379.428 0.636 20 0 GCADMM C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574928952 949066973 /nfs/dbraw/zinc/06/69/73/949066973.db2.gz UHVMRUZIAPPURL-LBPRGKRZSA-N -1 1 379.428 0.636 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574694267 949069838 /nfs/dbraw/zinc/06/98/38/949069838.db2.gz MOHFZOXOSBNXGA-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574694267 949069854 /nfs/dbraw/zinc/06/98/54/949069854.db2.gz MOHFZOXOSBNXGA-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cn1cncn1 ZINC001574694109 949069997 /nfs/dbraw/zinc/06/99/97/949069997.db2.gz LBHBZQHJLLNLNR-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cn1cncn1 ZINC001574694109 949070013 /nfs/dbraw/zinc/07/00/13/949070013.db2.gz LBHBZQHJLLNLNR-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@H](CNC(=O)CN1CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574928977 949070303 /nfs/dbraw/zinc/07/03/03/949070303.db2.gz UWTUAFYPYURXJL-GFCCVEGCSA-N -1 1 379.428 0.636 20 0 GCADMM C[C@H](CNC(=O)CN1CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574928977 949070323 /nfs/dbraw/zinc/07/03/23/949070323.db2.gz UWTUAFYPYURXJL-GFCCVEGCSA-N -1 1 379.428 0.636 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574441726 949071821 /nfs/dbraw/zinc/07/18/21/949071821.db2.gz UWAQMYZDYOJYGV-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574441726 949071838 /nfs/dbraw/zinc/07/18/38/949071838.db2.gz UWAQMYZDYOJYGV-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575248663 949072764 /nfs/dbraw/zinc/07/27/64/949072764.db2.gz UXNVVVCYXNSELU-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575248663 949072785 /nfs/dbraw/zinc/07/27/85/949072785.db2.gz UXNVVVCYXNSELU-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001574694509 949080409 /nfs/dbraw/zinc/08/04/09/949080409.db2.gz QGQFGSLNDCFWLN-VIFPVBQESA-N -1 1 385.384 0.828 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574694674 949085919 /nfs/dbraw/zinc/08/59/19/949085919.db2.gz UGSOOIBXACEBCP-GFCCVEGCSA-N -1 1 388.476 0.790 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574441953 949086745 /nfs/dbraw/zinc/08/67/45/949086745.db2.gz GTGJTYWTRSHFAN-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574441953 949086765 /nfs/dbraw/zinc/08/67/65/949086765.db2.gz GTGJTYWTRSHFAN-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574441938 949086803 /nfs/dbraw/zinc/08/68/03/949086803.db2.gz GHGNBDZNWGZCOU-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574441938 949086823 /nfs/dbraw/zinc/08/68/23/949086823.db2.gz GHGNBDZNWGZCOU-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1ccccc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249180 949087337 /nfs/dbraw/zinc/08/73/37/949087337.db2.gz XCGDXJQUXWNCMU-WDEREUQCSA-N -1 1 381.400 0.601 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1ccccc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249180 949087316 /nfs/dbraw/zinc/08/73/16/949087316.db2.gz XCGDXJQUXWNCMU-WDEREUQCSA-N -1 1 381.400 0.601 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574441937 949088254 /nfs/dbraw/zinc/08/82/54/949088254.db2.gz GHGNBDZNWGZCOU-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574441937 949088263 /nfs/dbraw/zinc/08/82/63/949088263.db2.gz GHGNBDZNWGZCOU-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573780360 949090928 /nfs/dbraw/zinc/09/09/28/949090928.db2.gz WXWUIQDRTOXGPC-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573780360 949090947 /nfs/dbraw/zinc/09/09/47/949090947.db2.gz WXWUIQDRTOXGPC-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574442108 949091070 /nfs/dbraw/zinc/09/10/70/949091070.db2.gz KSHSZAUGBXDZGI-GFCCVEGCSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575504920 949092967 /nfs/dbraw/zinc/09/29/67/949092967.db2.gz YZKCEUCPLLXLRF-LBPRGKRZSA-N -1 1 383.416 0.462 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575504920 949092994 /nfs/dbraw/zinc/09/29/94/949092994.db2.gz YZKCEUCPLLXLRF-LBPRGKRZSA-N -1 1 383.416 0.462 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575504899 949095612 /nfs/dbraw/zinc/09/56/12/949095612.db2.gz YKYRLCPNXOOAFU-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575504899 949095630 /nfs/dbraw/zinc/09/56/30/949095630.db2.gz YKYRLCPNXOOAFU-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575504953 949096851 /nfs/dbraw/zinc/09/68/51/949096851.db2.gz ZVQLNZISYWGGSW-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575504953 949096866 /nfs/dbraw/zinc/09/68/66/949096866.db2.gz ZVQLNZISYWGGSW-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM CC(C)(C(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1cc(C(F)(F)F)ccn1 ZINC001573781158 949099416 /nfs/dbraw/zinc/09/94/16/949099416.db2.gz DDGDQHAINWKZPP-UHFFFAOYSA-N -1 1 395.349 0.966 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574929730 949100895 /nfs/dbraw/zinc/10/08/95/949100895.db2.gz GZXWTOGKCNVAPE-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574929730 949100881 /nfs/dbraw/zinc/10/08/81/949100881.db2.gz GZXWTOGKCNVAPE-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574695237 949106873 /nfs/dbraw/zinc/10/68/73/949106873.db2.gz FVOHARLTRYKZRY-NSHDSACASA-N -1 1 389.464 0.516 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574695237 949106887 /nfs/dbraw/zinc/10/68/87/949106887.db2.gz FVOHARLTRYKZRY-NSHDSACASA-N -1 1 389.464 0.516 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001574446027 949115597 /nfs/dbraw/zinc/11/55/97/949115597.db2.gz FZIQRHUQROGBPS-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001574446027 949115609 /nfs/dbraw/zinc/11/56/09/949115609.db2.gz FZIQRHUQROGBPS-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574695599 949115621 /nfs/dbraw/zinc/11/56/21/949115621.db2.gz ISPAOYPCIKYYNK-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574695599 949115633 /nfs/dbraw/zinc/11/56/33/949115633.db2.gz ISPAOYPCIKYYNK-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM CC(C)(C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001573782334 949118607 /nfs/dbraw/zinc/11/86/07/949118607.db2.gz SACPYAVGPYCODO-UHFFFAOYSA-N -1 1 375.433 0.852 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001574695868 949120132 /nfs/dbraw/zinc/12/01/32/949120132.db2.gz KOKGNFQNTLGPPW-ZCFIWIBFSA-N -1 1 387.857 0.342 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001574695868 949120147 /nfs/dbraw/zinc/12/01/47/949120147.db2.gz KOKGNFQNTLGPPW-ZCFIWIBFSA-N -1 1 387.857 0.342 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1noc2c1COCC2 ZINC001574696029 949121759 /nfs/dbraw/zinc/12/17/59/949121759.db2.gz MARMFHUBCGEDIX-VIFPVBQESA-N -1 1 385.388 0.338 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1noc2c1COCC2 ZINC001574696029 949121773 /nfs/dbraw/zinc/12/17/73/949121773.db2.gz MARMFHUBCGEDIX-VIFPVBQESA-N -1 1 385.388 0.338 20 0 GCADMM CC(C)c1ocnc1C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574446373 949129329 /nfs/dbraw/zinc/12/93/29/949129329.db2.gz NPMAYUAAUHDJOM-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1ocnc1C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574446373 949129347 /nfs/dbraw/zinc/12/93/47/949129347.db2.gz NPMAYUAAUHDJOM-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM C[C@H](CNC(=O)CO[C@H]1CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574932176 949129682 /nfs/dbraw/zinc/12/96/82/949129682.db2.gz VMCLJCSEIYWAGA-SFYZADRCSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575251200 949134751 /nfs/dbraw/zinc/13/47/51/949134751.db2.gz MCDOJZREPIPEII-DCAQKATOSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575251200 949134772 /nfs/dbraw/zinc/13/47/72/949134772.db2.gz MCDOJZREPIPEII-DCAQKATOSA-N -1 1 387.448 0.267 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574094439 949136216 /nfs/dbraw/zinc/13/62/16/949136216.db2.gz WBXLXWFGUWTEBR-KGLIPLIRSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251407 949139210 /nfs/dbraw/zinc/13/92/10/949139210.db2.gz MVMJDYAOTDWKTQ-RYUDHWBXSA-N -1 1 381.444 0.757 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1c[nH]cn1 ZINC001573783150 949141388 /nfs/dbraw/zinc/14/13/88/949141388.db2.gz UKQTUFRZIZMVJW-XYPYZODXSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COCc1ccncc1 ZINC001574696791 949142331 /nfs/dbraw/zinc/14/23/31/949142331.db2.gz UMIQZRDBVQIONN-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COCc1ccncc1 ZINC001574696791 949142341 /nfs/dbraw/zinc/14/23/41/949142341.db2.gz UMIQZRDBVQIONN-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COCc1ccncc1 ZINC001574696790 949142756 /nfs/dbraw/zinc/14/27/56/949142756.db2.gz UMIQZRDBVQIONN-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COCc1ccncc1 ZINC001574696790 949142763 /nfs/dbraw/zinc/14/27/63/949142763.db2.gz UMIQZRDBVQIONN-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COCc1cccnc1 ZINC001574696819 949142825 /nfs/dbraw/zinc/14/28/25/949142825.db2.gz VAZPWIPPYFZTKG-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COCc1cccnc1 ZINC001574696819 949142838 /nfs/dbraw/zinc/14/28/38/949142838.db2.gz VAZPWIPPYFZTKG-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(CN(C)C)on1 ZINC001574696866 949142977 /nfs/dbraw/zinc/14/29/77/949142977.db2.gz WIEALEGBVYYTRK-JTQLQIEISA-N -1 1 386.420 0.327 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C)c1Cl ZINC001574696995 949146658 /nfs/dbraw/zinc/14/66/58/949146658.db2.gz WRISNVKKNFUFPJ-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C)c1Cl ZINC001574696995 949146666 /nfs/dbraw/zinc/14/66/66/949146666.db2.gz WRISNVKKNFUFPJ-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1occ2c1CCOC2 ZINC001574697010 949147175 /nfs/dbraw/zinc/14/71/75/949147175.db2.gz XBJCPQISBJMDFD-SNVBAGLBSA-N -1 1 384.400 0.943 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1occ2c1CCOC2 ZINC001574697010 949147187 /nfs/dbraw/zinc/14/71/87/949147187.db2.gz XBJCPQISBJMDFD-SNVBAGLBSA-N -1 1 384.400 0.943 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C)c1Cl ZINC001574696994 949147970 /nfs/dbraw/zinc/14/79/70/949147970.db2.gz WRISNVKKNFUFPJ-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C)c1Cl ZINC001574696994 949147982 /nfs/dbraw/zinc/14/79/82/949147982.db2.gz WRISNVKKNFUFPJ-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934361 949156083 /nfs/dbraw/zinc/15/60/83/949156083.db2.gz GFEZKCBHUQUMRN-SNVBAGLBSA-N -1 1 388.819 0.728 20 0 GCADMM C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934527 949165122 /nfs/dbraw/zinc/16/51/22/949165122.db2.gz KGDGIIMUHRSXFM-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934527 949165144 /nfs/dbraw/zinc/16/51/44/949165144.db2.gz KGDGIIMUHRSXFM-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934785 949178840 /nfs/dbraw/zinc/17/88/40/949178840.db2.gz QUAPMQXJJIXJAO-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934785 949178854 /nfs/dbraw/zinc/17/88/54/949178854.db2.gz QUAPMQXJJIXJAO-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1ccccc1 ZINC001573787401 949179848 /nfs/dbraw/zinc/17/98/48/949179848.db2.gz XBZOSNYZSUXFSJ-HUUCEWRRSA-N -1 1 394.439 0.300 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1ccccc1 ZINC001573787401 949179861 /nfs/dbraw/zinc/17/98/61/949179861.db2.gz XBZOSNYZSUXFSJ-HUUCEWRRSA-N -1 1 394.439 0.300 20 0 GCADMM C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934784 949180562 /nfs/dbraw/zinc/18/05/62/949180562.db2.gz QUAPMQXJJIXJAO-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934784 949180575 /nfs/dbraw/zinc/18/05/75/949180575.db2.gz QUAPMQXJJIXJAO-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)c1oncc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574448201 949181726 /nfs/dbraw/zinc/18/17/26/949181726.db2.gz GAISEEWYQFBUEW-LLVKDONJSA-N -1 1 383.416 0.764 20 0 GCADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001573787552 949182669 /nfs/dbraw/zinc/18/26/69/949182669.db2.gz WEAVHUYKJDJVNS-JOCQHMNTSA-N -1 1 386.460 0.591 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575253410 949186921 /nfs/dbraw/zinc/18/69/21/949186921.db2.gz TVPVMCNYKDONPB-NEPJUHHUSA-N -1 1 388.476 0.837 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574448450 949188226 /nfs/dbraw/zinc/18/82/26/949188226.db2.gz LWHPINIKIKJWSN-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574448450 949188241 /nfs/dbraw/zinc/18/82/41/949188241.db2.gz LWHPINIKIKJWSN-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698522 949195781 /nfs/dbraw/zinc/19/57/81/949195781.db2.gz MGXUOERGZFHGCB-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698522 949195800 /nfs/dbraw/zinc/19/58/00/949195800.db2.gz MGXUOERGZFHGCB-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2ncccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574935584 949198230 /nfs/dbraw/zinc/19/82/30/949198230.db2.gz CLAIMVVLNVGJAL-JTQLQIEISA-N -1 1 378.400 0.692 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2ncccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574935584 949198243 /nfs/dbraw/zinc/19/82/43/949198243.db2.gz CLAIMVVLNVGJAL-JTQLQIEISA-N -1 1 378.400 0.692 20 0 GCADMM CC(C)(C(N)=O)C(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573788565 949201181 /nfs/dbraw/zinc/20/11/81/949201181.db2.gz MREQCMKKAAIBFY-UHFFFAOYSA-N -1 1 387.448 0.209 20 0 GCADMM CC(C)(C(N)=O)C(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573788565 949201195 /nfs/dbraw/zinc/20/11/95/949201195.db2.gz MREQCMKKAAIBFY-UHFFFAOYSA-N -1 1 387.448 0.209 20 0 GCADMM CC(C)c1oncc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001574449887 949201505 /nfs/dbraw/zinc/20/15/05/949201505.db2.gz UUILDYLUCBUNJH-JQWIXIFHSA-N -1 1 383.416 0.763 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001574102796 949207097 /nfs/dbraw/zinc/20/70/97/949207097.db2.gz BNNZWSKRTDIZEQ-ACJLOTCBSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001574102796 949207115 /nfs/dbraw/zinc/20/71/15/949207115.db2.gz BNNZWSKRTDIZEQ-ACJLOTCBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698875 949212303 /nfs/dbraw/zinc/21/23/03/949212303.db2.gz PSGGKGWMJAOYOW-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698875 949212321 /nfs/dbraw/zinc/21/23/21/949212321.db2.gz PSGGKGWMJAOYOW-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2cnccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574936274 949217233 /nfs/dbraw/zinc/21/72/33/949217233.db2.gz JDLICFOMNQGOGH-JTQLQIEISA-N -1 1 378.400 0.692 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2cnccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574936274 949217252 /nfs/dbraw/zinc/21/72/52/949217252.db2.gz JDLICFOMNQGOGH-JTQLQIEISA-N -1 1 378.400 0.692 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1nccnc1-c1nnn[n-]1 ZINC001574936860 949222726 /nfs/dbraw/zinc/22/27/26/949222726.db2.gz LQQPTAKDMFKNEP-SNVBAGLBSA-N -1 1 383.416 0.929 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1nccnc1-c1nn[n-]n1 ZINC001574936860 949222756 /nfs/dbraw/zinc/22/27/56/949222756.db2.gz LQQPTAKDMFKNEP-SNVBAGLBSA-N -1 1 383.416 0.929 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001575853914 949225895 /nfs/dbraw/zinc/22/58/95/949225895.db2.gz OSOSAXNPBPCRSV-UHFFFAOYSA-N -1 1 387.429 0.926 20 0 GCADMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC001589604752 949229741 /nfs/dbraw/zinc/22/97/41/949229741.db2.gz GTHVSXSACIBVBK-GOSISDBHSA-N -1 1 380.445 0.947 20 0 GCADMM C[C@@H]1CCC[C@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576151637 949230905 /nfs/dbraw/zinc/23/09/05/949230905.db2.gz HTOJXAONJFZTFJ-MNOVXSKESA-N -1 1 376.421 0.255 20 0 GCADMM C[C@@H]1CCC[C@@H](OCC(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576152307 949247534 /nfs/dbraw/zinc/24/75/34/949247534.db2.gz INDRYEYHZZIYJE-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCC[C@@H](OCC(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576152307 949247556 /nfs/dbraw/zinc/24/75/56/949247556.db2.gz INDRYEYHZZIYJE-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574938703 949250907 /nfs/dbraw/zinc/25/09/07/949250907.db2.gz ZIAYSBPHXLJTIJ-JTQLQIEISA-N -1 1 388.382 0.764 20 0 GCADMM CC(C)n1cc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452204 949254772 /nfs/dbraw/zinc/25/47/72/949254772.db2.gz GCKODDMZKDLAHL-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452204 949254788 /nfs/dbraw/zinc/25/47/88/949254788.db2.gz GCKODDMZKDLAHL-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001574452835 949267656 /nfs/dbraw/zinc/26/76/56/949267656.db2.gz NSTKBRDHIGGWAJ-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001574452835 949267685 /nfs/dbraw/zinc/26/76/85/949267685.db2.gz NSTKBRDHIGGWAJ-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@]1(C(=O)N2CCC(C)(Nc3nccnc3-c3nnn[n-]3)CC2)CCC(=O)N1 ZINC001575857706 949268535 /nfs/dbraw/zinc/26/85/35/949268535.db2.gz UBTWWCYDXUVZLS-KRWDZBQOSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@]1(C(=O)N2CCC(C)(Nc3nccnc3-c3nn[n-]n3)CC2)CCC(=O)N1 ZINC001575857706 949268555 /nfs/dbraw/zinc/26/85/55/949268555.db2.gz UBTWWCYDXUVZLS-KRWDZBQOSA-N -1 1 385.432 0.118 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452899 949274517 /nfs/dbraw/zinc/27/45/17/949274517.db2.gz QQIVSOGSPZYNDG-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452899 949274536 /nfs/dbraw/zinc/27/45/36/949274536.db2.gz QQIVSOGSPZYNDG-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574453139 949276970 /nfs/dbraw/zinc/27/69/70/949276970.db2.gz XBKWWCIWIRCPHQ-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940868 949278184 /nfs/dbraw/zinc/27/81/84/949278184.db2.gz LDVHPAHSIHPMQP-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940868 949278207 /nfs/dbraw/zinc/27/82/07/949278207.db2.gz LDVHPAHSIHPMQP-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM CC(C)(C)C(=O)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573793065 949280829 /nfs/dbraw/zinc/28/08/29/949280829.db2.gz JTMWIDGMWCYVRW-RYUDHWBXSA-N -1 1 384.444 0.842 20 0 GCADMM CC(C)n1cc(Cl)c(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001574454717 949287051 /nfs/dbraw/zinc/28/70/51/949287051.db2.gz AYBSQDUKGXUGJI-UHFFFAOYSA-N -1 1 379.768 0.199 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)cn1 ZINC001574455293 949301124 /nfs/dbraw/zinc/30/11/24/949301124.db2.gz NRIGBMWFBNZQDL-YPMHNXCESA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)cn1 ZINC001574455293 949301149 /nfs/dbraw/zinc/30/11/49/949301149.db2.gz NRIGBMWFBNZQDL-YPMHNXCESA-N -1 1 382.432 0.831 20 0 GCADMM CC1=C(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)SCCO1 ZINC001575860707 949311351 /nfs/dbraw/zinc/31/13/51/949311351.db2.gz LFTOJUCDRZCQFF-UHFFFAOYSA-N -1 1 378.418 0.360 20 0 GCADMM CC1=C(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)SCCO1 ZINC001575860707 949311370 /nfs/dbraw/zinc/31/13/70/949311370.db2.gz LFTOJUCDRZCQFF-UHFFFAOYSA-N -1 1 378.418 0.360 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457241 949313556 /nfs/dbraw/zinc/31/35/56/949313556.db2.gz DGVQKHWWMAROHQ-LBPRGKRZSA-N -1 1 382.432 0.430 20 0 GCADMM CC(C)(C)C(=O)N1CCOC2(CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573794615 949316515 /nfs/dbraw/zinc/31/65/15/949316515.db2.gz GISAZOAXGQBJIE-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)C(=O)N1CCOC2(CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573794615 949316535 /nfs/dbraw/zinc/31/65/35/949316535.db2.gz GISAZOAXGQBJIE-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1ccc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001574457316 949321932 /nfs/dbraw/zinc/32/19/32/949321932.db2.gz GFDNYBCAOGFSOE-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001574457316 949321957 /nfs/dbraw/zinc/32/19/57/949321957.db2.gz GFDNYBCAOGFSOE-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457386 949326348 /nfs/dbraw/zinc/32/63/48/949326348.db2.gz JYJGALKEZPDORZ-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457386 949326373 /nfs/dbraw/zinc/32/63/73/949326373.db2.gz JYJGALKEZPDORZ-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457760 949329668 /nfs/dbraw/zinc/32/96/68/949329668.db2.gz NQOAIHDEWYDOCY-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457760 949329692 /nfs/dbraw/zinc/32/96/92/949329692.db2.gz NQOAIHDEWYDOCY-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)CC(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001574109978 949345710 /nfs/dbraw/zinc/34/57/10/949345710.db2.gz KPOUWUWBFJTNQQ-CQSZACIVSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575260122 949346600 /nfs/dbraw/zinc/34/66/00/949346600.db2.gz UWOURTWIZIMDPC-VXGBXAGGSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575260122 949346626 /nfs/dbraw/zinc/34/66/26/949346626.db2.gz UWOURTWIZIMDPC-VXGBXAGGSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@H]1CCC[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001576154588 949349750 /nfs/dbraw/zinc/34/97/50/949349750.db2.gz QDXYLZUVDCMDSW-WDEREUQCSA-N -1 1 376.421 0.397 20 0 GCADMM C[C@H]1CCC[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001576154587 949350063 /nfs/dbraw/zinc/35/00/63/949350063.db2.gz QDXYLZUVDCMDSW-QWRGUYRKSA-N -1 1 376.421 0.397 20 0 GCADMM CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CCCC(=O)[O-])C1=O ZINC001589613853 949351494 /nfs/dbraw/zinc/35/14/94/949351494.db2.gz YTVFTTNMRRMMSO-GOSISDBHSA-N -1 1 376.413 0.672 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001574459815 949360615 /nfs/dbraw/zinc/36/06/15/949360615.db2.gz LHFMPSGKRQINHR-UHFFFAOYSA-N -1 1 382.432 0.325 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001574459815 949360632 /nfs/dbraw/zinc/36/06/32/949360632.db2.gz LHFMPSGKRQINHR-UHFFFAOYSA-N -1 1 382.432 0.325 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001574459482 949362771 /nfs/dbraw/zinc/36/27/71/949362771.db2.gz IGUKFUNDAMBIRV-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001574459482 949362795 /nfs/dbraw/zinc/36/27/95/949362795.db2.gz IGUKFUNDAMBIRV-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574459898 949365706 /nfs/dbraw/zinc/36/57/06/949365706.db2.gz ONARPQKPZDDYAK-BETUJISGSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574459898 949365728 /nfs/dbraw/zinc/36/57/28/949365728.db2.gz ONARPQKPZDDYAK-BETUJISGSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001574460174 949369922 /nfs/dbraw/zinc/36/99/22/949369922.db2.gz RKOCDUWKCOXVLV-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001574460174 949369945 /nfs/dbraw/zinc/36/99/45/949369945.db2.gz RKOCDUWKCOXVLV-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573799384 949371187 /nfs/dbraw/zinc/37/11/87/949371187.db2.gz LZVXIYDJMHOMRF-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573799384 949371206 /nfs/dbraw/zinc/37/12/06/949371206.db2.gz LZVXIYDJMHOMRF-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574942956 949371716 /nfs/dbraw/zinc/37/17/16/949371716.db2.gz UCLQEQHEIYSPBW-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574942956 949371737 /nfs/dbraw/zinc/37/17/37/949371737.db2.gz UCLQEQHEIYSPBW-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001574460173 949373238 /nfs/dbraw/zinc/37/32/38/949373238.db2.gz RJIZLIRSLIYRTA-UHFFFAOYSA-N -1 1 382.432 0.325 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001574460173 949373260 /nfs/dbraw/zinc/37/32/60/949373260.db2.gz RJIZLIRSLIYRTA-UHFFFAOYSA-N -1 1 382.432 0.325 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001576154980 949376344 /nfs/dbraw/zinc/37/63/44/949376344.db2.gz RYPOXFAQEOTJEF-MNOVXSKESA-N -1 1 388.432 0.664 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574460683 949376706 /nfs/dbraw/zinc/37/67/06/949376706.db2.gz XFXCLOZCTHIKIJ-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574460683 949376725 /nfs/dbraw/zinc/37/67/25/949376725.db2.gz XFXCLOZCTHIKIJ-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575527821 949381990 /nfs/dbraw/zinc/38/19/90/949381990.db2.gz HYAINRUSFQPCHO-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575527821 949382017 /nfs/dbraw/zinc/38/20/17/949382017.db2.gz HYAINRUSFQPCHO-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574460940 949385247 /nfs/dbraw/zinc/38/52/47/949385247.db2.gz ZKLZIWRUAWABEA-ZDUSSCGKSA-N -1 1 382.432 0.112 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573800251 949387114 /nfs/dbraw/zinc/38/71/14/949387114.db2.gz VFQXXOXVBGZYNE-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573800251 949387135 /nfs/dbraw/zinc/38/71/35/949387135.db2.gz VFQXXOXVBGZYNE-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575263300 949394207 /nfs/dbraw/zinc/39/42/07/949394207.db2.gz FUIBDGNSXAXVKO-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575263300 949394226 /nfs/dbraw/zinc/39/42/26/949394226.db2.gz FUIBDGNSXAXVKO-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)n1cnc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)c1 ZINC001574464132 949397985 /nfs/dbraw/zinc/39/79/85/949397985.db2.gz GOUMCGIKVCFLNM-UHFFFAOYSA-N -1 1 382.432 0.621 20 0 GCADMM C[C@H](CNC(=O)Cc1n[nH]c2ccccc12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574944810 949401736 /nfs/dbraw/zinc/40/17/36/949401736.db2.gz GRMTWRGRHCFBMC-NSHDSACASA-N -1 1 392.427 0.362 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574464609 949421249 /nfs/dbraw/zinc/42/12/49/949421249.db2.gz ODHLAFJJTLHCNH-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574464609 949421264 /nfs/dbraw/zinc/42/12/64/949421264.db2.gz ODHLAFJJTLHCNH-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575866958 949424967 /nfs/dbraw/zinc/42/49/67/949424967.db2.gz IRKUAYFPJSCEQP-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575866958 949424976 /nfs/dbraw/zinc/42/49/76/949424976.db2.gz IRKUAYFPJSCEQP-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574464692 949425646 /nfs/dbraw/zinc/42/56/46/949425646.db2.gz RTXKYYKQGXZHMD-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574464692 949425654 /nfs/dbraw/zinc/42/56/54/949425654.db2.gz RTXKYYKQGXZHMD-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574946142 949429706 /nfs/dbraw/zinc/42/97/06/949429706.db2.gz RXEQCFCYHJEGHG-VIFPVBQESA-N -1 1 385.457 0.572 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001574465413 949432477 /nfs/dbraw/zinc/43/24/77/949432477.db2.gz XUKSBILIRCIVCJ-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574946607 949433025 /nfs/dbraw/zinc/43/30/25/949433025.db2.gz WOYXUNJZAPNNEX-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574946607 949433044 /nfs/dbraw/zinc/43/30/44/949433044.db2.gz WOYXUNJZAPNNEX-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573803230 949434105 /nfs/dbraw/zinc/43/41/05/949434105.db2.gz OHXLMVXBHJTRLP-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573803230 949434120 /nfs/dbraw/zinc/43/41/20/949434120.db2.gz OHXLMVXBHJTRLP-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1nccnc1-c1nnn[n-]1 ZINC001574705829 949438286 /nfs/dbraw/zinc/43/82/86/949438286.db2.gz JTIKUNSQEYSFCG-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1nccnc1-c1nn[n-]n1 ZINC001574705829 949438293 /nfs/dbraw/zinc/43/82/93/949438293.db2.gz JTIKUNSQEYSFCG-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573803403 949442773 /nfs/dbraw/zinc/44/27/73/949442773.db2.gz OFOVTLKKPNNDDF-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573803403 949442783 /nfs/dbraw/zinc/44/27/83/949442783.db2.gz OFOVTLKKPNNDDF-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC1(C(=O)N2CC[C@H](N3CCN(c4cnc(-c5nn[n-]n5)cn4)CC3)C2)CC1 ZINC001575535369 949445177 /nfs/dbraw/zinc/44/51/77/949445177.db2.gz VWNFULMCWHGVNR-ZDUSSCGKSA-N -1 1 383.460 0.180 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574467968 949446844 /nfs/dbraw/zinc/44/68/44/949446844.db2.gz BGBRKVWCKXALLR-LBPRGKRZSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575265534 949448808 /nfs/dbraw/zinc/44/88/08/949448808.db2.gz ULZCNNGYIWHOHH-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575265534 949448834 /nfs/dbraw/zinc/44/88/34/949448834.db2.gz ULZCNNGYIWHOHH-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1F ZINC001574947533 949449851 /nfs/dbraw/zinc/44/98/51/949449851.db2.gz BUWLIYUZQBDUCQ-MRVPVSSYSA-N -1 1 391.338 0.327 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H]1C ZINC001576156551 949451407 /nfs/dbraw/zinc/45/14/07/949451407.db2.gz XCHBKOZYANLXIP-JFGNBEQYSA-N -1 1 376.421 0.253 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575535626 949452644 /nfs/dbraw/zinc/45/26/44/949452644.db2.gz ZYNBCZQKHWDYJJ-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575535626 949452656 /nfs/dbraw/zinc/45/26/56/949452656.db2.gz ZYNBCZQKHWDYJJ-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574947816 949453575 /nfs/dbraw/zinc/45/35/75/949453575.db2.gz DMXPURHZVKMNIT-VIFPVBQESA-N -1 1 376.812 0.148 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574947816 949453601 /nfs/dbraw/zinc/45/36/01/949453601.db2.gz DMXPURHZVKMNIT-VIFPVBQESA-N -1 1 376.812 0.148 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574468089 949455711 /nfs/dbraw/zinc/45/57/11/949455711.db2.gz ISRLDJDRKVNUFB-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574468115 949457330 /nfs/dbraw/zinc/45/73/30/949457330.db2.gz KGVFACXTRRKPEI-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574468115 949457344 /nfs/dbraw/zinc/45/73/44/949457344.db2.gz KGVFACXTRRKPEI-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575265968 949461934 /nfs/dbraw/zinc/46/19/34/949461934.db2.gz WHOFGDASANLJNN-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575265968 949461940 /nfs/dbraw/zinc/46/19/40/949461940.db2.gz WHOFGDASANLJNN-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Sc1ccccc1 ZINC001574948478 949462411 /nfs/dbraw/zinc/46/24/11/949462411.db2.gz JKTXKXQTBNXHMZ-SNVBAGLBSA-N -1 1 387.425 0.426 20 0 GCADMM CC(C)n1ncc(C(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)c1Cl ZINC001574468554 949463492 /nfs/dbraw/zinc/46/34/92/949463492.db2.gz PONPSEVCHMGQIE-UHFFFAOYSA-N -1 1 390.839 0.694 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574468819 949466108 /nfs/dbraw/zinc/46/61/08/949466108.db2.gz SPDSINPWTDFVCE-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574707188 949466151 /nfs/dbraw/zinc/46/61/51/949466151.db2.gz NXYWAMFDMLVZPP-GHMZBOCLSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574707188 949466167 /nfs/dbraw/zinc/46/61/67/949466167.db2.gz NXYWAMFDMLVZPP-GHMZBOCLSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574948566 949467099 /nfs/dbraw/zinc/46/70/99/949467099.db2.gz LGLRYFHVSWCCKC-ZETCQYMHSA-N -1 1 382.841 0.433 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574948566 949467114 /nfs/dbraw/zinc/46/71/14/949467114.db2.gz LGLRYFHVSWCCKC-ZETCQYMHSA-N -1 1 382.841 0.433 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001573804487 949472224 /nfs/dbraw/zinc/47/22/24/949472224.db2.gz WDDFKVKMGCALRZ-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001573804487 949472238 /nfs/dbraw/zinc/47/22/38/949472238.db2.gz WDDFKVKMGCALRZ-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573804602 949472265 /nfs/dbraw/zinc/47/22/65/949472265.db2.gz XOXZVNCIRRHOAC-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573804602 949472280 /nfs/dbraw/zinc/47/22/80/949472280.db2.gz XOXZVNCIRRHOAC-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC1(C(=O)N2CC[C@@]3(C2)CN(c2ccnc(-c4nn[n-]n4)n2)CCO3)CCC1 ZINC001575536543 949472800 /nfs/dbraw/zinc/47/28/00/949472800.db2.gz JGSNRESVUJKFRY-SFHVURJKSA-N -1 1 384.444 0.655 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001574468914 949472779 /nfs/dbraw/zinc/47/27/79/949472779.db2.gz UZNHPQHMPJQUNW-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001574468914 949472796 /nfs/dbraw/zinc/47/27/96/949472796.db2.gz UZNHPQHMPJQUNW-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574469311 949476760 /nfs/dbraw/zinc/47/67/60/949476760.db2.gz AWIRZLNLWRUZIZ-SWLSCSKDSA-N -1 1 394.443 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574469311 949476770 /nfs/dbraw/zinc/47/67/70/949476770.db2.gz AWIRZLNLWRUZIZ-SWLSCSKDSA-N -1 1 394.443 0.785 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574949078 949480763 /nfs/dbraw/zinc/48/07/63/949480763.db2.gz QKLXXXLYGITPEW-VIFPVBQESA-N -1 1 392.374 0.655 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574949078 949480774 /nfs/dbraw/zinc/48/07/74/949480774.db2.gz QKLXXXLYGITPEW-VIFPVBQESA-N -1 1 392.374 0.655 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574949071 949482036 /nfs/dbraw/zinc/48/20/36/949482036.db2.gz QGZBNSAIZJQMGX-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574949071 949482049 /nfs/dbraw/zinc/48/20/49/949482049.db2.gz QGZBNSAIZJQMGX-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)Cn1cccn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949141 949484862 /nfs/dbraw/zinc/48/48/62/949484862.db2.gz REBRPWRGLVRHLK-QMMMGPOBSA-N -1 1 381.853 0.814 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574117985 949487089 /nfs/dbraw/zinc/48/70/89/949487089.db2.gz CNFXDWIIKCUMFV-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574117985 949487101 /nfs/dbraw/zinc/48/71/01/949487101.db2.gz CNFXDWIIKCUMFV-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC1(C(=O)N2CCC(O)(CNc3cncc(-c4nnn[n-]4)n3)CC2)CC=CC1 ZINC001575537213 949487489 /nfs/dbraw/zinc/48/74/89/949487489.db2.gz TWXKZYSOILPIPA-UHFFFAOYSA-N -1 1 384.444 0.778 20 0 GCADMM CC1(C(=O)N2CCC(O)(CNc3cncc(-c4nn[n-]n4)n3)CC2)CC=CC1 ZINC001575537213 949487503 /nfs/dbraw/zinc/48/75/03/949487503.db2.gz TWXKZYSOILPIPA-UHFFFAOYSA-N -1 1 384.444 0.778 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574118476 949491985 /nfs/dbraw/zinc/49/19/85/949491985.db2.gz GLFUUKXJWMDFKY-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574118476 949491999 /nfs/dbraw/zinc/49/19/99/949491999.db2.gz GLFUUKXJWMDFKY-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC1(C(=O)N2CCC3(CC2)CN(c2cnc(-c4nnn[n-]4)cn2)CCO3)CC1 ZINC001575537727 949497693 /nfs/dbraw/zinc/49/76/93/949497693.db2.gz WWNUAMCMAFBHAU-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CCC3(CC2)CN(c2cnc(-c4nn[n-]n4)cn2)CCO3)CC1 ZINC001575537727 949497707 /nfs/dbraw/zinc/49/77/07/949497707.db2.gz WWNUAMCMAFBHAU-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574708598 949499199 /nfs/dbraw/zinc/49/91/99/949499199.db2.gz XAXOSLGVFONJDS-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574708598 949499215 /nfs/dbraw/zinc/49/92/15/949499215.db2.gz XAXOSLGVFONJDS-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccn[nH]1 ZINC001576158501 949502664 /nfs/dbraw/zinc/50/26/64/949502664.db2.gz TXAACAOXCHQUNB-PIGZYNQJSA-N -1 1 382.432 0.593 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574470488 949503244 /nfs/dbraw/zinc/50/32/44/949503244.db2.gz SNQJSVKQNCCKEJ-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574470488 949503260 /nfs/dbraw/zinc/50/32/60/949503260.db2.gz SNQJSVKQNCCKEJ-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574949654 949503889 /nfs/dbraw/zinc/50/38/89/949503889.db2.gz ZVYJPTROJNGQNG-MRVPVSSYSA-N -1 1 378.347 0.408 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574949654 949503907 /nfs/dbraw/zinc/50/39/07/949503907.db2.gz ZVYJPTROJNGQNG-MRVPVSSYSA-N -1 1 378.347 0.408 20 0 GCADMM C[C@@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)CC(F)(F)F ZINC001574949880 949519934 /nfs/dbraw/zinc/51/99/34/949519934.db2.gz GCULOOKTYVUTBL-SSDOTTSWSA-N -1 1 390.326 0.017 20 0 GCADMM C[C@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)CC(F)(F)F ZINC001574949881 949520532 /nfs/dbraw/zinc/52/05/32/949520532.db2.gz GCULOOKTYVUTBL-ZETCQYMHSA-N -1 1 390.326 0.017 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574122051 949522983 /nfs/dbraw/zinc/52/29/83/949522983.db2.gz UFBGHMHWOPFVCN-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574122051 949522993 /nfs/dbraw/zinc/52/29/93/949522993.db2.gz UFBGHMHWOPFVCN-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574122632 949529455 /nfs/dbraw/zinc/52/94/55/949529455.db2.gz ZGEDWCVSSNPVIB-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574122632 949529471 /nfs/dbraw/zinc/52/94/71/949529471.db2.gz ZGEDWCVSSNPVIB-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163391 949531735 /nfs/dbraw/zinc/53/17/35/949531735.db2.gz ASGNGILJACCBLN-QWHCGFSZSA-N -1 1 386.460 0.423 20 0 GCADMM CC1(C(=O)N2CCC[C@H](N(CCO)c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001575538923 949535864 /nfs/dbraw/zinc/53/58/64/949535864.db2.gz LFIRJOQVHOVPMV-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC[C@H](N(CCO)c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001575538923 949535879 /nfs/dbraw/zinc/53/58/79/949535879.db2.gz LFIRJOQVHOVPMV-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575269135 949539690 /nfs/dbraw/zinc/53/96/90/949539690.db2.gz RIATWURRLZXJJG-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575269135 949539713 /nfs/dbraw/zinc/53/97/13/949539713.db2.gz RIATWURRLZXJJG-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872347 949543100 /nfs/dbraw/zinc/54/31/00/949543100.db2.gz IFTKAJLJRYRTQB-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872347 949543116 /nfs/dbraw/zinc/54/31/16/949543116.db2.gz IFTKAJLJRYRTQB-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872394 949547434 /nfs/dbraw/zinc/54/74/34/949547434.db2.gz IUWYKGSLBDDZJX-NWDGAFQWSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872393 949547548 /nfs/dbraw/zinc/54/75/48/949547548.db2.gz IUWYKGSLBDDZJX-NEPJUHHUSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711631 949548607 /nfs/dbraw/zinc/54/86/07/949548607.db2.gz JQOBCVMMKTVXTM-HZMBPMFUSA-N -1 1 382.403 0.816 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575269486 949550120 /nfs/dbraw/zinc/55/01/20/949550120.db2.gz VFIOEHWYXGRZTC-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575269486 949550136 /nfs/dbraw/zinc/55/01/36/949550136.db2.gz VFIOEHWYXGRZTC-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](N(CCO)c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001575539572 949553697 /nfs/dbraw/zinc/55/36/97/949553697.db2.gz QXNPIZHLMTYAAM-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](N(CCO)c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001575539572 949553708 /nfs/dbraw/zinc/55/37/08/949553708.db2.gz QXNPIZHLMTYAAM-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575539732 949557501 /nfs/dbraw/zinc/55/75/01/949557501.db2.gz SHSLUIBRRQHLMP-ACJLOTCBSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576165361 949567291 /nfs/dbraw/zinc/56/72/91/949567291.db2.gz JXEROZMTZKCQOT-FQUUOJAGSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576165370 949570311 /nfs/dbraw/zinc/57/03/11/949570311.db2.gz JXEROZMTZKCQOT-XDQVBPFNSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575270064 949572971 /nfs/dbraw/zinc/57/29/71/949572971.db2.gz ANEXRBHLBBBXOM-RQJHMYQMSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575270064 949572991 /nfs/dbraw/zinc/57/29/91/949572991.db2.gz ANEXRBHLBBBXOM-RQJHMYQMSA-N -1 1 386.869 0.937 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](N(CCO)c3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001575540675 949573436 /nfs/dbraw/zinc/57/34/36/949573436.db2.gz ZBQPXHPMGPRMSC-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712694 949584931 /nfs/dbraw/zinc/58/49/31/949584931.db2.gz SYGWWLHQPHGWSI-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712694 949584944 /nfs/dbraw/zinc/58/49/44/949584944.db2.gz SYGWWLHQPHGWSI-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270331 949586709 /nfs/dbraw/zinc/58/67/09/949586709.db2.gz ZHUIZZFFCIJVQR-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270331 949586730 /nfs/dbraw/zinc/58/67/30/949586730.db2.gz ZHUIZZFFCIJVQR-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM CC(C)C[C@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125561 949591382 /nfs/dbraw/zinc/59/13/82/949591382.db2.gz STVVWVRHLNOBJH-QWHCGFSZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712939 949595949 /nfs/dbraw/zinc/59/59/49/949595949.db2.gz VJGWHOACFCFUQL-DGCLKSJQSA-N -1 1 379.428 0.147 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873945 949597486 /nfs/dbraw/zinc/59/74/86/949597486.db2.gz CSLMYJJNDOSWKF-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575545342 949602080 /nfs/dbraw/zinc/60/20/80/949602080.db2.gz KWFLLNQUDKUYAP-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575545342 949602091 /nfs/dbraw/zinc/60/20/91/949602091.db2.gz KWFLLNQUDKUYAP-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574957356 949606910 /nfs/dbraw/zinc/60/69/10/949606910.db2.gz WANFJXFWDFXCTB-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574957356 949606920 /nfs/dbraw/zinc/60/69/20/949606920.db2.gz WANFJXFWDFXCTB-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713583 949607499 /nfs/dbraw/zinc/60/74/99/949607499.db2.gz YFCARANRLIZYKJ-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713583 949607511 /nfs/dbraw/zinc/60/75/11/949607511.db2.gz YFCARANRLIZYKJ-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713826 949613668 /nfs/dbraw/zinc/61/36/68/949613668.db2.gz YFCARANRLIZYKJ-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713826 949613686 /nfs/dbraw/zinc/61/36/86/949613686.db2.gz YFCARANRLIZYKJ-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM CC1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575546456 949614839 /nfs/dbraw/zinc/61/48/39/949614839.db2.gz QLAJQYQCKVYUDU-ZDUSSCGKSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874790 949617403 /nfs/dbraw/zinc/61/74/03/949617403.db2.gz GYHCSLAXDWXRKC-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874790 949617419 /nfs/dbraw/zinc/61/74/19/949617419.db2.gz GYHCSLAXDWXRKC-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM CC(C)CC(C)(C)C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574127791 949619427 /nfs/dbraw/zinc/61/94/27/949619427.db2.gz KGKHYLUFHFOUCD-CYBMUJFWSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874732 949619934 /nfs/dbraw/zinc/61/99/34/949619934.db2.gz UKVGMXCPDFRSGX-NWDGAFQWSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874732 949619938 /nfs/dbraw/zinc/61/99/38/949619938.db2.gz UKVGMXCPDFRSGX-NWDGAFQWSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874762 949619955 /nfs/dbraw/zinc/61/99/55/949619955.db2.gz GOAHPNSFTFTQQU-WCQYABFASA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874762 949619960 /nfs/dbraw/zinc/61/99/60/949619960.db2.gz GOAHPNSFTFTQQU-WCQYABFASA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001574476839 949623621 /nfs/dbraw/zinc/62/36/21/949623621.db2.gz HZDXAQZAUCLPLV-OCCSQVGLSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001574476839 949623638 /nfs/dbraw/zinc/62/36/38/949623638.db2.gz HZDXAQZAUCLPLV-OCCSQVGLSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574476859 949626642 /nfs/dbraw/zinc/62/66/42/949626642.db2.gz IEQGJJWVDCCPCP-LBPRGKRZSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574476859 949626658 /nfs/dbraw/zinc/62/66/58/949626658.db2.gz IEQGJJWVDCCPCP-LBPRGKRZSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574714562 949634213 /nfs/dbraw/zinc/63/42/13/949634213.db2.gz FKYAMGDKNVEOGE-NWDGAFQWSA-N -1 1 384.448 0.265 20 0 GCADMM CC1(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575547671 949634157 /nfs/dbraw/zinc/63/41/57/949634157.db2.gz BVGQZSYYSWGRGO-ZDUSSCGKSA-N -1 1 386.460 0.688 20 0 GCADMM CC1(C(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575547646 949634992 /nfs/dbraw/zinc/63/49/92/949634992.db2.gz AMBTXWAYIMPHPQ-GFCCVEGCSA-N -1 1 388.432 0.113 20 0 GCADMM CC1(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575547646 949635000 /nfs/dbraw/zinc/63/50/00/949635000.db2.gz AMBTXWAYIMPHPQ-GFCCVEGCSA-N -1 1 388.432 0.113 20 0 GCADMM CC1(C(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575547647 949635197 /nfs/dbraw/zinc/63/51/97/949635197.db2.gz AMBTXWAYIMPHPQ-LBPRGKRZSA-N -1 1 388.432 0.113 20 0 GCADMM CC1(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575547647 949635207 /nfs/dbraw/zinc/63/52/07/949635207.db2.gz AMBTXWAYIMPHPQ-LBPRGKRZSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574477109 949639982 /nfs/dbraw/zinc/63/99/82/949639982.db2.gz ORFOVYMPAYKSDI-BDAKNGLRSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574477109 949639988 /nfs/dbraw/zinc/63/99/88/949639988.db2.gz ORFOVYMPAYKSDI-BDAKNGLRSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575547698 949640333 /nfs/dbraw/zinc/64/03/33/949640333.db2.gz DRNHICVLOMHEFQ-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575547698 949640343 /nfs/dbraw/zinc/64/03/43/949640343.db2.gz DRNHICVLOMHEFQ-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575547701 949640553 /nfs/dbraw/zinc/64/05/53/949640553.db2.gz DRNHICVLOMHEFQ-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575547701 949640563 /nfs/dbraw/zinc/64/05/63/949640563.db2.gz DRNHICVLOMHEFQ-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574477149 949642428 /nfs/dbraw/zinc/64/24/28/949642428.db2.gz KKAFEMLZDGYBNK-GFCCVEGCSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574477149 949642441 /nfs/dbraw/zinc/64/24/41/949642441.db2.gz KKAFEMLZDGYBNK-GFCCVEGCSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574477253 949647494 /nfs/dbraw/zinc/64/74/94/949647494.db2.gz PKHCCKXMHYKFRH-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477253 949647513 /nfs/dbraw/zinc/64/75/13/949647513.db2.gz PKHCCKXMHYKFRH-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1ccnc1 ZINC001573815255 949651934 /nfs/dbraw/zinc/65/19/34/949651934.db2.gz HMOOGZRUFDPAGN-LBPRGKRZSA-N -1 1 384.448 0.308 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576168867 949653284 /nfs/dbraw/zinc/65/32/84/949653284.db2.gz CTUCCXJETRTPPM-DGCLKSJQSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576168867 949653296 /nfs/dbraw/zinc/65/32/96/949653296.db2.gz CTUCCXJETRTPPM-DGCLKSJQSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575272982 949654383 /nfs/dbraw/zinc/65/43/83/949654383.db2.gz UFJSVDNWULEPNH-CHWSQXEVSA-N -1 1 381.444 0.802 20 0 GCADMM C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272956 949657205 /nfs/dbraw/zinc/65/72/05/949657205.db2.gz SNVDIDLIWXBHGS-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575272956 949657227 /nfs/dbraw/zinc/65/72/27/949657227.db2.gz SNVDIDLIWXBHGS-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169022 949657224 /nfs/dbraw/zinc/65/72/24/949657224.db2.gz DOHNULNWFJZDCV-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169022 949657239 /nfs/dbraw/zinc/65/72/39/949657239.db2.gz DOHNULNWFJZDCV-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575548175 949660919 /nfs/dbraw/zinc/66/09/19/949660919.db2.gz SXHSXTZNPJIBDW-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575548175 949660934 /nfs/dbraw/zinc/66/09/34/949660934.db2.gz SXHSXTZNPJIBDW-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001573815966 949664827 /nfs/dbraw/zinc/66/48/27/949664827.db2.gz MZEBGYCAACQGSA-HWPZZCPQSA-N -1 1 378.412 0.150 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573815931 949665240 /nfs/dbraw/zinc/66/52/40/949665240.db2.gz LZLLHMBWNNOUBU-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573815931 949665260 /nfs/dbraw/zinc/66/52/60/949665260.db2.gz LZLLHMBWNNOUBU-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574958404 949669293 /nfs/dbraw/zinc/66/92/93/949669293.db2.gz QPZSAOPMQSHDAE-KXEKKFMESA-N -1 1 383.865 0.954 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CNC(=O)C1CC1 ZINC001573816122 949670358 /nfs/dbraw/zinc/67/03/58/949670358.db2.gz OMRPXKHOWLTRJX-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CNC(=O)C1CC1 ZINC001573816122 949670375 /nfs/dbraw/zinc/67/03/75/949670375.db2.gz OMRPXKHOWLTRJX-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CNC(=O)C1CC1 ZINC001573816123 949671130 /nfs/dbraw/zinc/67/11/30/949671130.db2.gz OMRPXKHOWLTRJX-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CNC(=O)C1CC1 ZINC001573816123 949671146 /nfs/dbraw/zinc/67/11/46/949671146.db2.gz OMRPXKHOWLTRJX-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169269 949672156 /nfs/dbraw/zinc/67/21/56/949672156.db2.gz GBVPKYMSNFDNID-PWSUYJOCSA-N -1 1 383.420 0.057 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001574477776 949673664 /nfs/dbraw/zinc/67/36/64/949673664.db2.gz RKKDCKLNBCSSNX-OLZOCXBDSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001574477776 949673679 /nfs/dbraw/zinc/67/36/79/949673679.db2.gz RKKDCKLNBCSSNX-OLZOCXBDSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574477784 949678050 /nfs/dbraw/zinc/67/80/50/949678050.db2.gz RPFRTXCIJYCGSC-VIFPVBQESA-N -1 1 388.354 0.478 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574477784 949678061 /nfs/dbraw/zinc/67/80/61/949678061.db2.gz RPFRTXCIJYCGSC-VIFPVBQESA-N -1 1 388.354 0.478 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575273861 949678268 /nfs/dbraw/zinc/67/82/68/949678268.db2.gz YOLWTUJKMNQGPF-BQBZGAKWSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575273861 949678276 /nfs/dbraw/zinc/67/82/76/949678276.db2.gz YOLWTUJKMNQGPF-BQBZGAKWSA-N -1 1 386.869 0.937 20 0 GCADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001575552238 949678459 /nfs/dbraw/zinc/67/84/59/949678459.db2.gz FCCZDLBWBPLMJU-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575552238 949678470 /nfs/dbraw/zinc/67/84/70/949678470.db2.gz FCCZDLBWBPLMJU-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878738 949679982 /nfs/dbraw/zinc/67/99/82/949679982.db2.gz OPNAEHOMLLEEIG-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878738 949679998 /nfs/dbraw/zinc/67/99/98/949679998.db2.gz OPNAEHOMLLEEIG-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575878805 949680660 /nfs/dbraw/zinc/68/06/60/949680660.db2.gz PGKWKHJAHGJGJM-AAEUAGOBSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H](CCNC(=O)C(=O)N1CCC[C@H](C)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576169526 949682101 /nfs/dbraw/zinc/68/21/01/949682101.db2.gz YNRYAMRDCIOAHG-NWDGAFQWSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CCNC(=O)C(=O)N1CCC[C@H](C)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576169526 949682114 /nfs/dbraw/zinc/68/21/14/949682114.db2.gz YNRYAMRDCIOAHG-NWDGAFQWSA-N -1 1 387.448 0.222 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCOCC1 ZINC001575552916 949688750 /nfs/dbraw/zinc/68/87/50/949688750.db2.gz KZARNAJQMJIJGE-BETUJISGSA-N -1 1 384.444 0.368 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCOCC1 ZINC001575552916 949688769 /nfs/dbraw/zinc/68/87/69/949688769.db2.gz KZARNAJQMJIJGE-BETUJISGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCn1cc(Cl)cn1 ZINC001575274569 949688901 /nfs/dbraw/zinc/68/89/01/949688901.db2.gz AMCVXUYVBYEPHE-ZJUUUORDSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCn1cc(Cl)cn1 ZINC001575274569 949688920 /nfs/dbraw/zinc/68/89/20/949688920.db2.gz AMCVXUYVBYEPHE-ZJUUUORDSA-N -1 1 390.839 0.902 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574132282 949689560 /nfs/dbraw/zinc/68/95/60/949689560.db2.gz UTEQTPUDSACXPR-SFHVURJKSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574958694 949691316 /nfs/dbraw/zinc/69/13/16/949691316.db2.gz MNYHVKOKMOFZTP-KGYLQXTDSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574958694 949691327 /nfs/dbraw/zinc/69/13/27/949691327.db2.gz MNYHVKOKMOFZTP-KGYLQXTDSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574958695 949691433 /nfs/dbraw/zinc/69/14/33/949691433.db2.gz MNYHVKOKMOFZTP-WCFLWFBJSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574958695 949691443 /nfs/dbraw/zinc/69/14/43/949691443.db2.gz MNYHVKOKMOFZTP-WCFLWFBJSA-N -1 1 382.432 0.135 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)CCOCC1 ZINC001575554306 949694063 /nfs/dbraw/zinc/69/40/63/949694063.db2.gz REWLHXMVJAXPCN-BETUJISGSA-N -1 1 384.444 0.368 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)CCOCC1 ZINC001575554306 949694078 /nfs/dbraw/zinc/69/40/78/949694078.db2.gz REWLHXMVJAXPCN-BETUJISGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879843 949694321 /nfs/dbraw/zinc/69/43/21/949694321.db2.gz RXLCMVJECSDPJB-DGCLKSJQSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879843 949694332 /nfs/dbraw/zinc/69/43/32/949694332.db2.gz RXLCMVJECSDPJB-DGCLKSJQSA-N -1 1 382.432 0.486 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574132678 949698627 /nfs/dbraw/zinc/69/86/27/949698627.db2.gz APJGAYRQGJWAAY-STQMWFEESA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574132678 949698639 /nfs/dbraw/zinc/69/86/39/949698639.db2.gz APJGAYRQGJWAAY-STQMWFEESA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cccnc1 ZINC001573817762 949703261 /nfs/dbraw/zinc/70/32/61/949703261.db2.gz AUUHWKNWWPDSMW-CYBMUJFWSA-N -1 1 381.444 0.659 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001573817710 949705136 /nfs/dbraw/zinc/70/51/36/949705136.db2.gz AJVRGRNZNWQMGB-VIFPVBQESA-N -1 1 391.823 0.977 20 0 GCADMM C[C@@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170231 949707700 /nfs/dbraw/zinc/70/77/00/949707700.db2.gz LBYQWHVBQPOFAN-KGLIPLIRSA-N -1 1 388.476 0.528 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(F)CCOC1 ZINC001573817996 949711663 /nfs/dbraw/zinc/71/16/63/949711663.db2.gz DKZIFESLYDILJB-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(F)CCOC1 ZINC001573817996 949711680 /nfs/dbraw/zinc/71/16/80/949711680.db2.gz DKZIFESLYDILJB-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@]1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)CCOC1 ZINC001575557381 949723314 /nfs/dbraw/zinc/72/33/14/949723314.db2.gz INBZSCHQPLUXNI-UGSOOPFHSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574960945 949728088 /nfs/dbraw/zinc/72/80/88/949728088.db2.gz YPOUONYAIVZXJB-KGYLQXTDSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574960945 949728099 /nfs/dbraw/zinc/72/80/99/949728099.db2.gz YPOUONYAIVZXJB-KGYLQXTDSA-N -1 1 382.432 0.358 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573818236 949728293 /nfs/dbraw/zinc/72/82/93/949728293.db2.gz IRWVFBPGBGGDTA-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573818236 949728312 /nfs/dbraw/zinc/72/83/12/949728312.db2.gz IRWVFBPGBGGDTA-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574961030 949733295 /nfs/dbraw/zinc/73/32/95/949733295.db2.gz ZSSZXFZFCLQBLH-KWCYVHTRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574961030 949733311 /nfs/dbraw/zinc/73/33/11/949733311.db2.gz ZSSZXFZFCLQBLH-KWCYVHTRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881860 949739363 /nfs/dbraw/zinc/73/93/63/949739363.db2.gz CMDGFKRDHKELEG-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881860 949739376 /nfs/dbraw/zinc/73/93/76/949739376.db2.gz CMDGFKRDHKELEG-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881825 949739678 /nfs/dbraw/zinc/73/96/78/949739678.db2.gz BMAAFNKBRHVOJF-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881825 949739696 /nfs/dbraw/zinc/73/96/96/949739696.db2.gz BMAAFNKBRHVOJF-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574962556 949741548 /nfs/dbraw/zinc/74/15/48/949741548.db2.gz BKHALMSKVAGBNJ-RNFRBKRXSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574962556 949741564 /nfs/dbraw/zinc/74/15/64/949741564.db2.gz BKHALMSKVAGBNJ-RNFRBKRXSA-N -1 1 384.853 0.562 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001573818694 949741823 /nfs/dbraw/zinc/74/18/23/949741823.db2.gz OIDHADYDOIPGEI-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001573818694 949741834 /nfs/dbraw/zinc/74/18/34/949741834.db2.gz OIDHADYDOIPGEI-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881941 949743157 /nfs/dbraw/zinc/74/31/57/949743157.db2.gz DHFKMXKUGGMTJJ-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881941 949743173 /nfs/dbraw/zinc/74/31/73/949743173.db2.gz DHFKMXKUGGMTJJ-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM CC1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575558873 949747039 /nfs/dbraw/zinc/74/70/39/949747039.db2.gz SWGJBTKGRLDMDU-JTQLQIEISA-N -1 1 378.387 0.821 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574480245 949747274 /nfs/dbraw/zinc/74/72/74/949747274.db2.gz HYBABHNNTIUFTK-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574480245 949747285 /nfs/dbraw/zinc/74/72/85/949747285.db2.gz HYBABHNNTIUFTK-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574963362 949748666 /nfs/dbraw/zinc/74/86/66/949748666.db2.gz ITNRZPCHPPAZIL-RNFRBKRXSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882086 949751605 /nfs/dbraw/zinc/75/16/05/949751605.db2.gz GCEFGYUMMFCQIQ-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882086 949751627 /nfs/dbraw/zinc/75/16/27/949751627.db2.gz GCEFGYUMMFCQIQ-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882160 949757643 /nfs/dbraw/zinc/75/76/43/949757643.db2.gz HDEPXXCWZAPJOC-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882160 949757655 /nfs/dbraw/zinc/75/76/55/949757655.db2.gz HDEPXXCWZAPJOC-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882163 949757883 /nfs/dbraw/zinc/75/78/83/949757883.db2.gz HDEPXXCWZAPJOC-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882163 949757900 /nfs/dbraw/zinc/75/79/00/949757900.db2.gz HDEPXXCWZAPJOC-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001573819843 949759231 /nfs/dbraw/zinc/75/92/31/949759231.db2.gz WLKQCWNBFFJCGP-AAEUAGOBSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001573819843 949759252 /nfs/dbraw/zinc/75/92/52/949759252.db2.gz WLKQCWNBFFJCGP-AAEUAGOBSA-N -1 1 390.448 0.405 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882297 949764729 /nfs/dbraw/zinc/76/47/29/949764729.db2.gz ILMQHANWZOLQCO-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171485 949765858 /nfs/dbraw/zinc/76/58/58/949765858.db2.gz REAZHLPRLMDEOR-NWDGAFQWSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171485 949765869 /nfs/dbraw/zinc/76/58/69/949765869.db2.gz REAZHLPRLMDEOR-NWDGAFQWSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171484 949768402 /nfs/dbraw/zinc/76/84/02/949768402.db2.gz REAZHLPRLMDEOR-NEPJUHHUSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171484 949768419 /nfs/dbraw/zinc/76/84/19/949768419.db2.gz REAZHLPRLMDEOR-NEPJUHHUSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H](C)c1ccccc1 ZINC001575278791 949770360 /nfs/dbraw/zinc/77/03/60/949770360.db2.gz VNOYUTMYTVXGLZ-NWDGAFQWSA-N -1 1 383.412 0.828 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718276 949773046 /nfs/dbraw/zinc/77/30/46/949773046.db2.gz UVECPQKTSHUWCB-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718276 949773058 /nfs/dbraw/zinc/77/30/58/949773058.db2.gz UVECPQKTSHUWCB-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574481381 949774408 /nfs/dbraw/zinc/77/44/08/949774408.db2.gz PAMFORQMTGTWTD-KGLIPLIRSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574481442 949777443 /nfs/dbraw/zinc/77/74/43/949777443.db2.gz PWEOZMFTINREHL-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574481442 949777462 /nfs/dbraw/zinc/77/74/62/949777462.db2.gz PWEOZMFTINREHL-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575279278 949777972 /nfs/dbraw/zinc/77/79/72/949777972.db2.gz YBLXTPWKHJFHKU-MNOVXSKESA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575279278 949777988 /nfs/dbraw/zinc/77/79/88/949777988.db2.gz YBLXTPWKHJFHKU-MNOVXSKESA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718371 949777992 /nfs/dbraw/zinc/77/79/92/949777992.db2.gz VQDWIOBSQOCSQW-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718371 949778007 /nfs/dbraw/zinc/77/80/07/949778007.db2.gz VQDWIOBSQOCSQW-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171827 949783708 /nfs/dbraw/zinc/78/37/08/949783708.db2.gz SZKKXQYKACNNEH-OLZOCXBDSA-N -1 1 382.432 0.014 20 0 GCADMM O=C([O-])c1cnc(C(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)cn1 ZINC001595268204 949785681 /nfs/dbraw/zinc/78/56/81/949785681.db2.gz SROZCFKKSBEKHA-NSHDSACASA-N -1 1 377.723 1.000 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718560 949786736 /nfs/dbraw/zinc/78/67/36/949786736.db2.gz ZDGRBNRLRJPLJI-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718560 949786757 /nfs/dbraw/zinc/78/67/57/949786757.db2.gz ZDGRBNRLRJPLJI-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574138451 949789086 /nfs/dbraw/zinc/78/90/86/949789086.db2.gz CMKBKJWFDMQNOB-UGSOOPFHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574138451 949789100 /nfs/dbraw/zinc/78/91/00/949789100.db2.gz CMKBKJWFDMQNOB-UGSOOPFHSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@]1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575560495 949789330 /nfs/dbraw/zinc/78/93/30/949789330.db2.gz QOVNLCZGHVMBHQ-INIZCTEOSA-N -1 1 392.485 0.408 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)CCOC1 ZINC001575560571 949792350 /nfs/dbraw/zinc/79/23/50/949792350.db2.gz SDUDLYNSUTXCAI-SJKOYZFVSA-N -1 1 384.444 0.558 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1OCCCO1 ZINC001573822580 949795976 /nfs/dbraw/zinc/79/59/76/949795976.db2.gz KALSCVUBTSCWIT-NSHDSACASA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1OCCCO1 ZINC001573822580 949795988 /nfs/dbraw/zinc/79/59/88/949795988.db2.gz KALSCVUBTSCWIT-NSHDSACASA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1OCCCO1 ZINC001573822579 949796444 /nfs/dbraw/zinc/79/64/44/949796444.db2.gz KALSCVUBTSCWIT-LLVKDONJSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1OCCCO1 ZINC001573822579 949796460 /nfs/dbraw/zinc/79/64/60/949796460.db2.gz KALSCVUBTSCWIT-LLVKDONJSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCNC1=O ZINC001573822617 949797138 /nfs/dbraw/zinc/79/71/38/949797138.db2.gz KSDIJRBQKYWNTB-GHMZBOCLSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCNC1=O ZINC001573822617 949797152 /nfs/dbraw/zinc/79/71/52/949797152.db2.gz KSDIJRBQKYWNTB-GHMZBOCLSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281310 949806212 /nfs/dbraw/zinc/80/62/12/949806212.db2.gz FOEPFRDLUATGRF-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281310 949806235 /nfs/dbraw/zinc/80/62/35/949806235.db2.gz FOEPFRDLUATGRF-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574481908 949807589 /nfs/dbraw/zinc/80/75/89/949807589.db2.gz XIQNZHZZUUMKLL-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574481908 949807609 /nfs/dbraw/zinc/80/76/09/949807609.db2.gz XIQNZHZZUUMKLL-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574965675 949807767 /nfs/dbraw/zinc/80/77/67/949807767.db2.gz JBYCXOVJICRUQI-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574965675 949807788 /nfs/dbraw/zinc/80/77/88/949807788.db2.gz JBYCXOVJICRUQI-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575561541 949808531 /nfs/dbraw/zinc/80/85/31/949808531.db2.gz BDKOBLVTDOKMIZ-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575561541 949808553 /nfs/dbraw/zinc/80/85/53/949808553.db2.gz BDKOBLVTDOKMIZ-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCOCC1 ZINC001575561563 949809605 /nfs/dbraw/zinc/80/96/05/949809605.db2.gz BGPBYKMLLPKDIG-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCOCC1 ZINC001575561563 949809634 /nfs/dbraw/zinc/80/96/34/949809634.db2.gz BGPBYKMLLPKDIG-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001574482071 949819606 /nfs/dbraw/zinc/81/96/06/949819606.db2.gz ZZHBTQGMGZNDKT-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001574482071 949819626 /nfs/dbraw/zinc/81/96/26/949819626.db2.gz ZZHBTQGMGZNDKT-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM CC(C)(C)[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(F)(F)F ZINC001573823333 949823390 /nfs/dbraw/zinc/82/33/90/949823390.db2.gz UZRRWIBKYKSQNF-LLVKDONJSA-N -1 1 389.338 0.612 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575883655 949824847 /nfs/dbraw/zinc/82/48/47/949824847.db2.gz SCBSITHUHVGBFI-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H](CN(C)C(=O)CCOC1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574722131 949825284 /nfs/dbraw/zinc/82/52/84/949825284.db2.gz PTTVUWYIMCVWGV-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CN(C)C(=O)CCOC1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574722131 949825310 /nfs/dbraw/zinc/82/53/10/949825310.db2.gz PTTVUWYIMCVWGV-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574965977 949828740 /nfs/dbraw/zinc/82/87/40/949828740.db2.gz QPWUVBASTNPQNU-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574966241 949838407 /nfs/dbraw/zinc/83/84/07/949838407.db2.gz VIKDMDMYUHOHAG-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574966241 949838426 /nfs/dbraw/zinc/83/84/26/949838426.db2.gz VIKDMDMYUHOHAG-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574483691 949838588 /nfs/dbraw/zinc/83/85/88/949838588.db2.gz IPFCTOONVGRNPP-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574483691 949838608 /nfs/dbraw/zinc/83/86/08/949838608.db2.gz IPFCTOONVGRNPP-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573823825 949841266 /nfs/dbraw/zinc/84/12/66/949841266.db2.gz ZJTPHVDQZPJIKT-QWRGUYRKSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573823825 949841280 /nfs/dbraw/zinc/84/12/80/949841280.db2.gz ZJTPHVDQZPJIKT-QWRGUYRKSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574966304 949847014 /nfs/dbraw/zinc/84/70/14/949847014.db2.gz WUNWWEOAIRJGPZ-SNVBAGLBSA-N -1 1 382.432 0.310 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575563929 949848259 /nfs/dbraw/zinc/84/82/59/949848259.db2.gz NDIUTNCRBGWREU-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575563929 949848286 /nfs/dbraw/zinc/84/82/86/949848286.db2.gz NDIUTNCRBGWREU-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574966411 949850389 /nfs/dbraw/zinc/85/03/89/949850389.db2.gz YOGVNMSSYKDHAL-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574966411 949850408 /nfs/dbraw/zinc/85/04/08/949850408.db2.gz YOGVNMSSYKDHAL-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575283028 949856868 /nfs/dbraw/zinc/85/68/68/949856868.db2.gz MQQJTGLQYOMSAF-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575283028 949856894 /nfs/dbraw/zinc/85/68/94/949856894.db2.gz MQQJTGLQYOMSAF-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177755 949857506 /nfs/dbraw/zinc/85/75/06/949857506.db2.gz BIIBRLZZTFOLQU-NWDGAFQWSA-N -1 1 380.416 0.221 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccncc1 ZINC001574484064 949858634 /nfs/dbraw/zinc/85/86/34/949858634.db2.gz SLYGRYNYGLUKSH-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccncc1 ZINC001574484064 949858657 /nfs/dbraw/zinc/85/86/57/949858657.db2.gz SLYGRYNYGLUKSH-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574142186 949860341 /nfs/dbraw/zinc/86/03/41/949860341.db2.gz XALQNUBALIVDGZ-ACJLOTCBSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575885531 949864270 /nfs/dbraw/zinc/86/42/70/949864270.db2.gz WYXDWHMLYJUMCT-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575885531 949864290 /nfs/dbraw/zinc/86/42/90/949864290.db2.gz WYXDWHMLYJUMCT-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3cnc(-c4nnn[n-]4)cn3)(C1)C2 ZINC001573825186 949865161 /nfs/dbraw/zinc/86/51/61/949865161.db2.gz LZUYLMMJAQFHSZ-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3cnc(-c4nn[n-]n4)cn3)(C1)C2 ZINC001573825186 949865179 /nfs/dbraw/zinc/86/51/79/949865179.db2.gz LZUYLMMJAQFHSZ-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573825282 949869397 /nfs/dbraw/zinc/86/93/97/949869397.db2.gz PRTBKFDNGLXOMM-LBPRGKRZSA-N -1 1 392.489 0.312 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C(=O)N1CCC(C)CC1 ZINC001576177967 949870316 /nfs/dbraw/zinc/87/03/16/949870316.db2.gz FCKXKEJVRNROQY-NEPJUHHUSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C(=O)N1CCC(C)CC1 ZINC001576177967 949870342 /nfs/dbraw/zinc/87/03/42/949870342.db2.gz FCKXKEJVRNROQY-NEPJUHHUSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576177980 949871339 /nfs/dbraw/zinc/87/13/39/949871339.db2.gz FIADZRQKIMIEOQ-GHMZBOCLSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576177980 949871363 /nfs/dbraw/zinc/87/13/63/949871363.db2.gz FIADZRQKIMIEOQ-GHMZBOCLSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576177982 949871451 /nfs/dbraw/zinc/87/14/51/949871451.db2.gz FIADZRQKIMIEOQ-MNOVXSKESA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576177982 949871476 /nfs/dbraw/zinc/87/14/76/949871476.db2.gz FIADZRQKIMIEOQ-MNOVXSKESA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574484231 949872388 /nfs/dbraw/zinc/87/23/88/949872388.db2.gz FXTFOJCJUMABIW-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574484231 949872410 /nfs/dbraw/zinc/87/24/10/949872410.db2.gz FXTFOJCJUMABIW-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574967286 949872732 /nfs/dbraw/zinc/87/27/32/949872732.db2.gz GMNUXIFFTRWPFT-SNVBAGLBSA-N -1 1 382.432 0.134 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574967286 949872754 /nfs/dbraw/zinc/87/27/54/949872754.db2.gz GMNUXIFFTRWPFT-SNVBAGLBSA-N -1 1 382.432 0.134 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574967585 949873087 /nfs/dbraw/zinc/87/30/87/949873087.db2.gz HZKOXBHLOAPDNS-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574967585 949873111 /nfs/dbraw/zinc/87/31/11/949873111.db2.gz HZKOXBHLOAPDNS-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178011 949874129 /nfs/dbraw/zinc/87/41/29/949874129.db2.gz AMJYELFXAQJVCZ-AAEUAGOBSA-N -1 1 383.416 0.810 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178039 949875775 /nfs/dbraw/zinc/87/57/75/949875775.db2.gz AOYHQWIBIYTSMX-UWVGGRQHSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574484292 949876087 /nfs/dbraw/zinc/87/60/87/949876087.db2.gz XZGPDKBKBXEOOF-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574484292 949876109 /nfs/dbraw/zinc/87/61/09/949876109.db2.gz XZGPDKBKBXEOOF-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576178511 949891957 /nfs/dbraw/zinc/89/19/57/949891957.db2.gz BVFXFGOIQOQKAK-ZYHUDNBSSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576178511 949891974 /nfs/dbraw/zinc/89/19/74/949891974.db2.gz BVFXFGOIQOQKAK-ZYHUDNBSSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179006 949907576 /nfs/dbraw/zinc/90/75/76/949907576.db2.gz DIEPFBRLXUBPQY-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179006 949907591 /nfs/dbraw/zinc/90/75/91/949907591.db2.gz DIEPFBRLXUBPQY-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284477 949907953 /nfs/dbraw/zinc/90/79/53/949907953.db2.gz ISDOXORCKHILCS-VXGBXAGGSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284477 949907974 /nfs/dbraw/zinc/90/79/74/949907974.db2.gz ISDOXORCKHILCS-VXGBXAGGSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575284474 949908439 /nfs/dbraw/zinc/90/84/39/949908439.db2.gz ISDOXORCKHILCS-NWDGAFQWSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575284474 949908464 /nfs/dbraw/zinc/90/84/64/949908464.db2.gz ISDOXORCKHILCS-NWDGAFQWSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1ccnc1 ZINC001574484859 949910009 /nfs/dbraw/zinc/91/00/09/949910009.db2.gz QDJBDEMJFSOEPP-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1ccnc1 ZINC001574484859 949910028 /nfs/dbraw/zinc/91/00/28/949910028.db2.gz QDJBDEMJFSOEPP-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574484924 949911503 /nfs/dbraw/zinc/91/15/03/949911503.db2.gz RXXPDLGWMUUWAD-OLZOCXBDSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575284605 949913134 /nfs/dbraw/zinc/91/31/34/949913134.db2.gz KAHOQDMRACOUDU-RYUDHWBXSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575284605 949913151 /nfs/dbraw/zinc/91/31/51/949913151.db2.gz KAHOQDMRACOUDU-RYUDHWBXSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574725876 949915777 /nfs/dbraw/zinc/91/57/77/949915777.db2.gz CVYAERGFYVNUSN-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574725876 949915800 /nfs/dbraw/zinc/91/58/00/949915800.db2.gz CVYAERGFYVNUSN-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576179506 949916768 /nfs/dbraw/zinc/91/67/68/949916768.db2.gz AGBZAFMPYRWCEJ-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574968908 949917570 /nfs/dbraw/zinc/91/75/70/949917570.db2.gz VJFXFKPZSVCFER-SNVBAGLBSA-N -1 1 382.432 0.134 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574968908 949917588 /nfs/dbraw/zinc/91/75/88/949917588.db2.gz VJFXFKPZSVCFER-SNVBAGLBSA-N -1 1 382.432 0.134 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180022 949932840 /nfs/dbraw/zinc/93/28/40/949932840.db2.gz GRBJVWFLQOBZII-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180022 949932862 /nfs/dbraw/zinc/93/28/62/949932862.db2.gz GRBJVWFLQOBZII-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180069 949934043 /nfs/dbraw/zinc/93/40/43/949934043.db2.gz HDAHPHWWOBSYTH-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180069 949934053 /nfs/dbraw/zinc/93/40/53/949934053.db2.gz HDAHPHWWOBSYTH-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180071 949934602 /nfs/dbraw/zinc/93/46/02/949934602.db2.gz HDAHPHWWOBSYTH-RYUDHWBXSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180071 949934626 /nfs/dbraw/zinc/93/46/26/949934626.db2.gz HDAHPHWWOBSYTH-RYUDHWBXSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001574487689 949938230 /nfs/dbraw/zinc/93/82/30/949938230.db2.gz BDOIPMJPUZMXDD-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001574487689 949938248 /nfs/dbraw/zinc/93/82/48/949938248.db2.gz BDOIPMJPUZMXDD-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575285253 949940552 /nfs/dbraw/zinc/94/05/52/949940552.db2.gz LYUHVWFEJKUYQJ-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575285253 949940569 /nfs/dbraw/zinc/94/05/69/949940569.db2.gz LYUHVWFEJKUYQJ-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575285300 949941180 /nfs/dbraw/zinc/94/11/80/949941180.db2.gz MMXMDOZGPXSDGT-VXGBXAGGSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575285300 949941205 /nfs/dbraw/zinc/94/12/05/949941205.db2.gz MMXMDOZGPXSDGT-VXGBXAGGSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574488443 949950952 /nfs/dbraw/zinc/95/09/52/949950952.db2.gz GFRADVRQLVGJDK-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574488443 949950980 /nfs/dbraw/zinc/95/09/80/949950980.db2.gz GFRADVRQLVGJDK-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574488932 949951161 /nfs/dbraw/zinc/95/11/61/949951161.db2.gz HGLQXCHCCAACHH-MBNYWOFBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574488932 949951183 /nfs/dbraw/zinc/95/11/83/949951183.db2.gz HGLQXCHCCAACHH-MBNYWOFBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574488448 949954153 /nfs/dbraw/zinc/95/41/53/949954153.db2.gz GHLBQSLXSNIYOP-OPRDCNLKSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575285780 949957185 /nfs/dbraw/zinc/95/71/85/949957185.db2.gz QONDPFKGFCQLLU-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575285780 949957201 /nfs/dbraw/zinc/95/72/01/949957201.db2.gz QONDPFKGFCQLLU-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180553 949959028 /nfs/dbraw/zinc/95/90/28/949959028.db2.gz FDAFUCACPAIZPZ-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180553 949959048 /nfs/dbraw/zinc/95/90/48/949959048.db2.gz FDAFUCACPAIZPZ-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727443 949964376 /nfs/dbraw/zinc/96/43/76/949964376.db2.gz SWLZPVGLLUFCAD-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727443 949964394 /nfs/dbraw/zinc/96/43/94/949964394.db2.gz SWLZPVGLLUFCAD-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890766 949964338 /nfs/dbraw/zinc/96/43/38/949964338.db2.gz ZNTZZCGHSHDFSN-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890766 949964353 /nfs/dbraw/zinc/96/43/53/949964353.db2.gz ZNTZZCGHSHDFSN-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180597 949967859 /nfs/dbraw/zinc/96/78/59/949967859.db2.gz FLHLQCMBKAPNFB-NEPJUHHUSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180597 949967872 /nfs/dbraw/zinc/96/78/72/949967872.db2.gz FLHLQCMBKAPNFB-NEPJUHHUSA-N -1 1 383.416 0.784 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573829996 949971012 /nfs/dbraw/zinc/97/10/12/949971012.db2.gz GZNIQDFWGQHWCI-CYBMUJFWSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573829996 949971027 /nfs/dbraw/zinc/97/10/27/949971027.db2.gz GZNIQDFWGQHWCI-CYBMUJFWSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573830012 949971632 /nfs/dbraw/zinc/97/16/32/949971632.db2.gz HHVHASGTUDUQRT-CYBMUJFWSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC001575572359 949971882 /nfs/dbraw/zinc/97/18/82/949971882.db2.gz GMNAOTJFJGDMIM-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC001575572359 949971901 /nfs/dbraw/zinc/97/19/01/949971901.db2.gz GMNAOTJFJGDMIM-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575286257 949971915 /nfs/dbraw/zinc/97/19/15/949971915.db2.gz VAROEHJHYAMFHA-RYUDHWBXSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575286257 949971932 /nfs/dbraw/zinc/97/19/32/949971932.db2.gz VAROEHJHYAMFHA-RYUDHWBXSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575286255 949972229 /nfs/dbraw/zinc/97/22/29/949972229.db2.gz VAROEHJHYAMFHA-NEPJUHHUSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575286255 949972249 /nfs/dbraw/zinc/97/22/49/949972249.db2.gz VAROEHJHYAMFHA-NEPJUHHUSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890931 949972573 /nfs/dbraw/zinc/97/25/73/949972573.db2.gz BMZGHLFBGKUJCE-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890931 949972586 /nfs/dbraw/zinc/97/25/86/949972586.db2.gz BMZGHLFBGKUJCE-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575286258 949976172 /nfs/dbraw/zinc/97/61/72/949976172.db2.gz VAROEHJHYAMFHA-VXGBXAGGSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575286258 949976191 /nfs/dbraw/zinc/97/61/91/949976191.db2.gz VAROEHJHYAMFHA-VXGBXAGGSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180903 949977647 /nfs/dbraw/zinc/97/76/47/949977647.db2.gz FYZQUUIBUOZQRT-JSGCOSHPSA-N -1 1 384.444 0.669 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180955 949980538 /nfs/dbraw/zinc/98/05/38/949980538.db2.gz KJZBWLRGSOUQAE-UWVGGRQHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180955 949980564 /nfs/dbraw/zinc/98/05/64/949980564.db2.gz KJZBWLRGSOUQAE-UWVGGRQHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727759 949983250 /nfs/dbraw/zinc/98/32/50/949983250.db2.gz YYRWTVJXRJMWBR-NSHDSACASA-N -1 1 386.391 0.556 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181010 949984405 /nfs/dbraw/zinc/98/44/05/949984405.db2.gz RDPYXKZNPIRWLV-CMPLNLGQSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181010 949984426 /nfs/dbraw/zinc/98/44/26/949984426.db2.gz RDPYXKZNPIRWLV-CMPLNLGQSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727758 949986251 /nfs/dbraw/zinc/98/62/51/949986251.db2.gz YYRWTVJXRJMWBR-LLVKDONJSA-N -1 1 386.391 0.556 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574490353 949989553 /nfs/dbraw/zinc/98/95/53/949989553.db2.gz QENRAVFNBHCPIN-BXUZGUMPSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574490353 949989583 /nfs/dbraw/zinc/98/95/83/949989583.db2.gz QENRAVFNBHCPIN-BXUZGUMPSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181202 949989654 /nfs/dbraw/zinc/98/96/54/949989654.db2.gz KOSRECPKCCLVCU-GXFFZTMASA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181202 949989676 /nfs/dbraw/zinc/98/96/76/949989676.db2.gz KOSRECPKCCLVCU-GXFFZTMASA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574490400 949989892 /nfs/dbraw/zinc/98/98/92/949989892.db2.gz RBOQIWYQRNMVGE-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574490400 949989912 /nfs/dbraw/zinc/98/99/12/949989912.db2.gz RBOQIWYQRNMVGE-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575289664 949998045 /nfs/dbraw/zinc/99/80/45/949998045.db2.gz BFPDDFLKTDAYOK-NEPJUHHUSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575289664 949998069 /nfs/dbraw/zinc/99/80/69/949998069.db2.gz BFPDDFLKTDAYOK-NEPJUHHUSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001575289658 949998427 /nfs/dbraw/zinc/99/84/27/949998427.db2.gz BAEONCMOBBFRBZ-RYUDHWBXSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001575289658 949998449 /nfs/dbraw/zinc/99/84/49/949998449.db2.gz BAEONCMOBBFRBZ-RYUDHWBXSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575289665 950000707 /nfs/dbraw/zinc/00/07/07/950000707.db2.gz BFPDDFLKTDAYOK-NWDGAFQWSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575289665 950000727 /nfs/dbraw/zinc/00/07/27/950000727.db2.gz BFPDDFLKTDAYOK-NWDGAFQWSA-N -1 1 384.448 0.982 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574490573 950001527 /nfs/dbraw/zinc/00/15/27/950001527.db2.gz VJUPLKOPZXKBGH-WCQYABFASA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181462 950006744 /nfs/dbraw/zinc/00/67/44/950006744.db2.gz UPZKOPKEDYWUMY-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181462 950006760 /nfs/dbraw/zinc/00/67/60/950006760.db2.gz UPZKOPKEDYWUMY-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574728741 950007373 /nfs/dbraw/zinc/00/73/73/950007373.db2.gz IVDXJTVTYCPZMT-JTQLQIEISA-N -1 1 388.382 0.858 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574728922 950009414 /nfs/dbraw/zinc/00/94/14/950009414.db2.gz LBCRVSMNUWYBSQ-GFCCVEGCSA-N -1 1 384.448 0.358 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574728923 950012073 /nfs/dbraw/zinc/01/20/73/950012073.db2.gz LBCRVSMNUWYBSQ-LBPRGKRZSA-N -1 1 384.448 0.358 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181777 950019794 /nfs/dbraw/zinc/01/97/94/950019794.db2.gz JORFWGQKGTYHKA-GXTWGEPZSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181777 950019815 /nfs/dbraw/zinc/01/98/15/950019815.db2.gz JORFWGQKGTYHKA-GXTWGEPZSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181868 950021127 /nfs/dbraw/zinc/02/11/27/950021127.db2.gz NAHJABJIJIFDLC-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181868 950021149 /nfs/dbraw/zinc/02/11/49/950021149.db2.gz NAHJABJIJIFDLC-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181867 950022757 /nfs/dbraw/zinc/02/27/57/950022757.db2.gz NAHJABJIJIFDLC-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181867 950022778 /nfs/dbraw/zinc/02/27/78/950022778.db2.gz NAHJABJIJIFDLC-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574491614 950038657 /nfs/dbraw/zinc/03/86/57/950038657.db2.gz DXMWAMKWCFLYQW-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182314 950042237 /nfs/dbraw/zinc/04/22/37/950042237.db2.gz NWNNTPQEUZKJRS-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182314 950042259 /nfs/dbraw/zinc/04/22/59/950042259.db2.gz NWNNTPQEUZKJRS-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC001575575402 950050744 /nfs/dbraw/zinc/05/07/44/950050744.db2.gz ISRNWWYJPIHGSP-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC001575575402 950050766 /nfs/dbraw/zinc/05/07/66/950050766.db2.gz ISRNWWYJPIHGSP-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182664 950059944 /nfs/dbraw/zinc/05/99/44/950059944.db2.gz OUQWGSHKCORTDJ-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182664 950059969 /nfs/dbraw/zinc/05/99/69/950059969.db2.gz OUQWGSHKCORTDJ-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182589 950060374 /nfs/dbraw/zinc/06/03/74/950060374.db2.gz ORSNZGKOCAEHEG-NEPJUHHUSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@@H](CC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574492105 950063664 /nfs/dbraw/zinc/06/36/64/950063664.db2.gz JFTTVGYFUHOBNS-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574492105 950063682 /nfs/dbraw/zinc/06/36/82/950063682.db2.gz JFTTVGYFUHOBNS-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574492160 950068017 /nfs/dbraw/zinc/06/80/17/950068017.db2.gz KAFTVTQQIISMMV-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574492160 950068037 /nfs/dbraw/zinc/06/80/37/950068037.db2.gz KAFTVTQQIISMMV-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574732857 950079236 /nfs/dbraw/zinc/07/92/36/950079236.db2.gz LGPWKFXAILBQEW-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574732857 950079259 /nfs/dbraw/zinc/07/92/59/950079259.db2.gz LGPWKFXAILBQEW-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574732919 950079608 /nfs/dbraw/zinc/07/96/08/950079608.db2.gz MSONRKKCZTYRHI-NSHDSACASA-N -1 1 382.432 0.112 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574492442 950082597 /nfs/dbraw/zinc/08/25/97/950082597.db2.gz MURMWPKOQKMLLL-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574492442 950082618 /nfs/dbraw/zinc/08/26/18/950082618.db2.gz MURMWPKOQKMLLL-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574492418 950084614 /nfs/dbraw/zinc/08/46/14/950084614.db2.gz AWEBJPLNQRNDHG-AAEUAGOBSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183419 950084815 /nfs/dbraw/zinc/08/48/15/950084815.db2.gz RPSSRVLQEVUQAY-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183419 950084841 /nfs/dbraw/zinc/08/48/41/950084841.db2.gz RPSSRVLQEVUQAY-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574492466 950088171 /nfs/dbraw/zinc/08/81/71/950088171.db2.gz MZPMAMFIQQZODT-IDKOKCKLSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183422 950089513 /nfs/dbraw/zinc/08/95/13/950089513.db2.gz RPSSRVLQEVUQAY-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183422 950089538 /nfs/dbraw/zinc/08/95/38/950089538.db2.gz RPSSRVLQEVUQAY-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574492751 950103148 /nfs/dbraw/zinc/10/31/48/950103148.db2.gz CIAQIJYKENVGDU-WPRPVWTQSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574492968 950106825 /nfs/dbraw/zinc/10/68/25/950106825.db2.gz PWIBGCYZIWWMPM-PNESKVBLSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733527 950113505 /nfs/dbraw/zinc/11/35/05/950113505.db2.gz DBSRSYXDDWCWMZ-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733527 950113514 /nfs/dbraw/zinc/11/35/14/950113514.db2.gz DBSRSYXDDWCWMZ-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733479 950113535 /nfs/dbraw/zinc/11/35/35/950113535.db2.gz CDRMIRKTWBIUEP-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574493025 950113472 /nfs/dbraw/zinc/11/34/72/950113472.db2.gz QSGXTKHSTSOMNL-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575582476 950117145 /nfs/dbraw/zinc/11/71/45/950117145.db2.gz DELVGUQODJDJFL-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575582476 950117155 /nfs/dbraw/zinc/11/71/55/950117155.db2.gz DELVGUQODJDJFL-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574733971 950122002 /nfs/dbraw/zinc/12/20/02/950122002.db2.gz IIOCYJXNVLEERW-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574733971 950122032 /nfs/dbraw/zinc/12/20/32/950122032.db2.gz IIOCYJXNVLEERW-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493513 950130543 /nfs/dbraw/zinc/13/05/43/950130543.db2.gz SZADYCBSRFRSLZ-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493513 950130554 /nfs/dbraw/zinc/13/05/54/950130554.db2.gz SZADYCBSRFRSLZ-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573839325 950131323 /nfs/dbraw/zinc/13/13/23/950131323.db2.gz QMYARFSMAQBLFD-NSHDSACASA-N -1 1 376.465 0.430 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493519 950132269 /nfs/dbraw/zinc/13/22/69/950132269.db2.gz SZADYCBSRFRSLZ-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493519 950132284 /nfs/dbraw/zinc/13/22/84/950132284.db2.gz SZADYCBSRFRSLZ-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184460 950132357 /nfs/dbraw/zinc/13/23/57/950132357.db2.gz VTZKOSVWOVWUPW-OCCSQVGLSA-N -1 1 384.444 0.322 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575583061 950137982 /nfs/dbraw/zinc/13/79/82/950137982.db2.gz JTODFYBPEAQGLP-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575583061 950137995 /nfs/dbraw/zinc/13/79/95/950137995.db2.gz JTODFYBPEAQGLP-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734720 950142065 /nfs/dbraw/zinc/14/20/65/950142065.db2.gz OXKGQEXEKWMISY-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734720 950142076 /nfs/dbraw/zinc/14/20/76/950142076.db2.gz OXKGQEXEKWMISY-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184936 950145507 /nfs/dbraw/zinc/14/55/07/950145507.db2.gz YRJUSZRKJMPHPJ-NEPJUHHUSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184936 950145528 /nfs/dbraw/zinc/14/55/28/950145528.db2.gz YRJUSZRKJMPHPJ-NEPJUHHUSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184938 950146847 /nfs/dbraw/zinc/14/68/47/950146847.db2.gz YRJUSZRKJMPHPJ-RYUDHWBXSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184938 950146852 /nfs/dbraw/zinc/14/68/52/950146852.db2.gz YRJUSZRKJMPHPJ-RYUDHWBXSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574493989 950147036 /nfs/dbraw/zinc/14/70/36/950147036.db2.gz WGLZSQBPARECFA-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574493989 950147044 /nfs/dbraw/zinc/14/70/44/950147044.db2.gz WGLZSQBPARECFA-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCOCC1 ZINC001575583620 950150028 /nfs/dbraw/zinc/15/00/28/950150028.db2.gz MRAHKQNCHRASIA-XYYAHUGASA-N -1 1 384.444 0.272 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCOCC1 ZINC001575583620 950150052 /nfs/dbraw/zinc/15/00/52/950150052.db2.gz MRAHKQNCHRASIA-XYYAHUGASA-N -1 1 384.444 0.272 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184984 950151106 /nfs/dbraw/zinc/15/11/06/950151106.db2.gz YAPCVFYRRABCNX-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184984 950151117 /nfs/dbraw/zinc/15/11/17/950151117.db2.gz YAPCVFYRRABCNX-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575898402 950153854 /nfs/dbraw/zinc/15/38/54/950153854.db2.gz SCSNUGZMVJSVGP-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCOCC2)CCOC1 ZINC001575583747 950155030 /nfs/dbraw/zinc/15/50/30/950155030.db2.gz UEXQWESSDOEYLX-INIZCTEOSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCOCC2)CCOC1 ZINC001575583747 950155038 /nfs/dbraw/zinc/15/50/38/950155038.db2.gz UEXQWESSDOEYLX-INIZCTEOSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001574494194 950155100 /nfs/dbraw/zinc/15/51/00/950155100.db2.gz JHKFXRKZUHRASD-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001574494194 950155117 /nfs/dbraw/zinc/15/51/17/950155117.db2.gz JHKFXRKZUHRASD-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)CCC(=O)NC1 ZINC001575583791 950155342 /nfs/dbraw/zinc/15/53/42/950155342.db2.gz UPFHDFGXYJLMRM-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)CCC(=O)NC1 ZINC001575583791 950155357 /nfs/dbraw/zinc/15/53/57/950155357.db2.gz UPFHDFGXYJLMRM-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574494179 950157465 /nfs/dbraw/zinc/15/74/65/950157465.db2.gz JEWABWDVDFDFTL-RYUDHWBXSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574494179 950157479 /nfs/dbraw/zinc/15/74/79/950157479.db2.gz JEWABWDVDFDFTL-RYUDHWBXSA-N -1 1 384.448 0.525 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cncn1C ZINC001574154052 950160420 /nfs/dbraw/zinc/16/04/20/950160420.db2.gz AADZSSXWMCCJNF-GFCCVEGCSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190536 950164525 /nfs/dbraw/zinc/16/45/25/950164525.db2.gz AKRDXNTXEOMCIF-VXGBXAGGSA-N -1 1 382.432 0.022 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574154123 950165788 /nfs/dbraw/zinc/16/57/88/950165788.db2.gz BQJYDXJIHUVVKR-WCQYABFASA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574154123 950165802 /nfs/dbraw/zinc/16/58/02/950165802.db2.gz BQJYDXJIHUVVKR-WCQYABFASA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899051 950166208 /nfs/dbraw/zinc/16/62/08/950166208.db2.gz VOFRBVICEZSWIM-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899051 950166220 /nfs/dbraw/zinc/16/62/20/950166220.db2.gz VOFRBVICEZSWIM-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899056 950166874 /nfs/dbraw/zinc/16/68/74/950166874.db2.gz VOFRBVICEZSWIM-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899056 950166882 /nfs/dbraw/zinc/16/68/82/950166882.db2.gz VOFRBVICEZSWIM-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CNC(=O)c1cc(-c2ccco2)n[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574982489 950167327 /nfs/dbraw/zinc/16/73/27/950167327.db2.gz DHIBNKYBIANRDM-SECBINFHSA-N -1 1 380.372 0.870 20 0 GCADMM C[C@H](CNC(=O)c1cc(-c2ccco2)n[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574982489 950167343 /nfs/dbraw/zinc/16/73/43/950167343.db2.gz DHIBNKYBIANRDM-SECBINFHSA-N -1 1 380.372 0.870 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574154336 950168573 /nfs/dbraw/zinc/16/85/73/950168573.db2.gz DHUAPIVCDGBBSH-ACJLOTCBSA-N -1 1 388.476 0.573 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899452 950168639 /nfs/dbraw/zinc/16/86/39/950168639.db2.gz WGXASYQJCJUDII-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899452 950168657 /nfs/dbraw/zinc/16/86/57/950168657.db2.gz WGXASYQJCJUDII-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575584398 950168728 /nfs/dbraw/zinc/16/87/28/950168728.db2.gz QMFDEYGVGMCTPM-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899453 950169785 /nfs/dbraw/zinc/16/97/85/950169785.db2.gz WGXASYQJCJUDII-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899453 950169798 /nfs/dbraw/zinc/16/97/98/950169798.db2.gz WGXASYQJCJUDII-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)(C)CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(N)=O ZINC001573843415 950176585 /nfs/dbraw/zinc/17/65/85/950176585.db2.gz XFKAYNTVTDLUCN-SNVBAGLBSA-N -1 1 384.437 0.964 20 0 GCADMM CC(C)(C)CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC001573843415 950176590 /nfs/dbraw/zinc/17/65/90/950176590.db2.gz XFKAYNTVTDLUCN-SNVBAGLBSA-N -1 1 384.437 0.964 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573843428 950177677 /nfs/dbraw/zinc/17/76/77/950177677.db2.gz XRMQUJHAHMWJAW-VXGBXAGGSA-N -1 1 388.476 0.785 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575584964 950182833 /nfs/dbraw/zinc/18/28/33/950182833.db2.gz UMFLSJIRXYBUJQ-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575584964 950182845 /nfs/dbraw/zinc/18/28/45/950182845.db2.gz UMFLSJIRXYBUJQ-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1-c1ccoc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574982770 950183392 /nfs/dbraw/zinc/18/33/92/950183392.db2.gz GSJLDCIWTARILN-VIFPVBQESA-N -1 1 380.372 0.870 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574494777 950184961 /nfs/dbraw/zinc/18/49/61/950184961.db2.gz ODFDFCIDMIYKSZ-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574494777 950184974 /nfs/dbraw/zinc/18/49/74/950184974.db2.gz ODFDFCIDMIYKSZ-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575585379 950189826 /nfs/dbraw/zinc/18/98/26/950189826.db2.gz YMMLPGUTAVEKOD-ACJLOTCBSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575585379 950189836 /nfs/dbraw/zinc/18/98/36/950189836.db2.gz YMMLPGUTAVEKOD-ACJLOTCBSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575585253 950190756 /nfs/dbraw/zinc/19/07/56/950190756.db2.gz XYVHDJVEZONELZ-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575585253 950190770 /nfs/dbraw/zinc/19/07/70/950190770.db2.gz XYVHDJVEZONELZ-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CCCOC1 ZINC001575585230 950191030 /nfs/dbraw/zinc/19/10/30/950191030.db2.gz XWZKWUDAKMQERA-JWXAPSBJSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CCCOC1 ZINC001575585230 950191054 /nfs/dbraw/zinc/19/10/54/950191054.db2.gz XWZKWUDAKMQERA-JWXAPSBJSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575585385 950191521 /nfs/dbraw/zinc/19/15/21/950191521.db2.gz YMMLPGUTAVEKOD-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575585385 950191536 /nfs/dbraw/zinc/19/15/36/950191536.db2.gz YMMLPGUTAVEKOD-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001574494970 950191604 /nfs/dbraw/zinc/19/16/04/950191604.db2.gz QQDZTSUIAGGSKU-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574494970 950191618 /nfs/dbraw/zinc/19/16/18/950191618.db2.gz QQDZTSUIAGGSKU-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575585257 950191884 /nfs/dbraw/zinc/19/18/84/950191884.db2.gz XYVHDJVEZONELZ-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575585257 950191896 /nfs/dbraw/zinc/19/18/96/950191896.db2.gz XYVHDJVEZONELZ-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574982952 950192944 /nfs/dbraw/zinc/19/29/44/950192944.db2.gz IKHQVMDSADNVGZ-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574982952 950192952 /nfs/dbraw/zinc/19/29/52/950192952.db2.gz IKHQVMDSADNVGZ-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191354 950193238 /nfs/dbraw/zinc/19/32/38/950193238.db2.gz FOFQDDJOYVLIAV-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191354 950193252 /nfs/dbraw/zinc/19/32/52/950193252.db2.gz FOFQDDJOYVLIAV-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575900265 950194224 /nfs/dbraw/zinc/19/42/24/950194224.db2.gz CZDSOQJTIVNOCN-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575900314 950195052 /nfs/dbraw/zinc/19/50/52/950195052.db2.gz DNUUIADYANEYLR-ZJUUUORDSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574495174 950195664 /nfs/dbraw/zinc/19/56/64/950195664.db2.gz RKUAFQLEBQVNNZ-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574495174 950195680 /nfs/dbraw/zinc/19/56/80/950195680.db2.gz RKUAFQLEBQVNNZ-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191577 950201260 /nfs/dbraw/zinc/20/12/60/950201260.db2.gz IMRDUMMORSHWPP-QWRGUYRKSA-N -1 1 385.407 0.756 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574495454 950203733 /nfs/dbraw/zinc/20/37/33/950203733.db2.gz SQFVBPWCFFSMQH-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574495454 950203750 /nfs/dbraw/zinc/20/37/50/950203750.db2.gz SQFVBPWCFFSMQH-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574155631 950203683 /nfs/dbraw/zinc/20/36/83/950203683.db2.gz PHISUOLRBQNZEH-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574155631 950203696 /nfs/dbraw/zinc/20/36/96/950203696.db2.gz PHISUOLRBQNZEH-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574155679 950207756 /nfs/dbraw/zinc/20/77/56/950207756.db2.gz PZHSRRVBLLQRQJ-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574155679 950207770 /nfs/dbraw/zinc/20/77/70/950207770.db2.gz PZHSRRVBLLQRQJ-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574155683 950208960 /nfs/dbraw/zinc/20/89/60/950208960.db2.gz QBTVGPYTXCWTFS-KGLIPLIRSA-N -1 1 388.476 0.838 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574155748 950212226 /nfs/dbraw/zinc/21/22/26/950212226.db2.gz REEDBBVCHSZODB-VXGBXAGGSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574155748 950212243 /nfs/dbraw/zinc/21/22/43/950212243.db2.gz REEDBBVCHSZODB-VXGBXAGGSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191902 950214810 /nfs/dbraw/zinc/21/48/10/950214810.db2.gz IXAPLPNCJBKTNY-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191902 950214834 /nfs/dbraw/zinc/21/48/34/950214834.db2.gz IXAPLPNCJBKTNY-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1ccnc1 ZINC001574496505 950216154 /nfs/dbraw/zinc/21/61/54/950216154.db2.gz WYCPNMFJMTWVQE-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1ccnc1 ZINC001574496505 950216176 /nfs/dbraw/zinc/21/61/76/950216176.db2.gz WYCPNMFJMTWVQE-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574497294 950228512 /nfs/dbraw/zinc/22/85/12/950228512.db2.gz ZCFSVCSAPKRVMB-RYUDHWBXSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574497294 950228524 /nfs/dbraw/zinc/22/85/24/950228524.db2.gz ZCFSVCSAPKRVMB-RYUDHWBXSA-N -1 1 384.448 0.525 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573845501 950230072 /nfs/dbraw/zinc/23/00/72/950230072.db2.gz GDMWNRCQWCKCFN-QWHCGFSZSA-N -1 1 388.476 0.962 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573845501 950230090 /nfs/dbraw/zinc/23/00/90/950230090.db2.gz GDMWNRCQWCKCFN-QWHCGFSZSA-N -1 1 388.476 0.962 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574497357 950230723 /nfs/dbraw/zinc/23/07/23/950230723.db2.gz ZQUFQRDTVNQJTC-VXGBXAGGSA-N -1 1 376.465 0.430 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574740290 950231584 /nfs/dbraw/zinc/23/15/84/950231584.db2.gz DUEMXQHBFGRLKS-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574740290 950231604 /nfs/dbraw/zinc/23/16/04/950231604.db2.gz DUEMXQHBFGRLKS-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001574157544 950241064 /nfs/dbraw/zinc/24/10/64/950241064.db2.gz CQNRVANCOJKFBR-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001574157544 950241077 /nfs/dbraw/zinc/24/10/77/950241077.db2.gz CQNRVANCOJKFBR-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157539 950241394 /nfs/dbraw/zinc/24/13/94/950241394.db2.gz CPTVVDMMWWLQSZ-LLVKDONJSA-N -1 1 383.416 0.436 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)n1cncn1 ZINC001574157575 950241966 /nfs/dbraw/zinc/24/19/66/950241966.db2.gz DBNQUHBSNMPZOW-RYUDHWBXSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)n1cncn1 ZINC001574157575 950241981 /nfs/dbraw/zinc/24/19/81/950241981.db2.gz DBNQUHBSNMPZOW-RYUDHWBXSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574157543 950242936 /nfs/dbraw/zinc/24/29/36/950242936.db2.gz CQNRVANCOJKFBR-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574157543 950242954 /nfs/dbraw/zinc/24/29/54/950242954.db2.gz CQNRVANCOJKFBR-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192351 950243460 /nfs/dbraw/zinc/24/34/60/950243460.db2.gz LZVZGJBUSDWWNQ-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192351 950243479 /nfs/dbraw/zinc/24/34/79/950243479.db2.gz LZVZGJBUSDWWNQ-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192460 950246848 /nfs/dbraw/zinc/24/68/48/950246848.db2.gz NFEYHPBHFYUMQS-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192460 950246873 /nfs/dbraw/zinc/24/68/73/950246873.db2.gz NFEYHPBHFYUMQS-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192508 950247087 /nfs/dbraw/zinc/24/70/87/950247087.db2.gz OYCBEIVLTXWHCB-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192508 950247102 /nfs/dbraw/zinc/24/71/02/950247102.db2.gz OYCBEIVLTXWHCB-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574157641 950246968 /nfs/dbraw/zinc/24/69/68/950246968.db2.gz FSUORTVPVHJDIS-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574157641 950246985 /nfs/dbraw/zinc/24/69/85/950246985.db2.gz FSUORTVPVHJDIS-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574983962 950253413 /nfs/dbraw/zinc/25/34/13/950253413.db2.gz UBIRFEWJSVMBJJ-YFKPBYRVSA-N -1 1 381.809 0.290 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574983962 950253429 /nfs/dbraw/zinc/25/34/29/950253429.db2.gz UBIRFEWJSVMBJJ-YFKPBYRVSA-N -1 1 381.809 0.290 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575902280 950256049 /nfs/dbraw/zinc/25/60/49/950256049.db2.gz UGRBPLVFTICBMT-RKDXNWHRSA-N -1 1 387.429 0.606 20 0 GCADMM CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001573849763 950257379 /nfs/dbraw/zinc/25/73/79/950257379.db2.gz AVUUKPUGENHPPB-UHFFFAOYSA-N -1 1 390.429 0.791 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192592 950257839 /nfs/dbraw/zinc/25/78/39/950257839.db2.gz NTZWLOHANYYYQU-VXGBXAGGSA-N -1 1 382.432 0.022 20 0 GCADMM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001573849767 950259873 /nfs/dbraw/zinc/25/98/73/950259873.db2.gz BBVHAKHKHQPRPU-VIFPVBQESA-N -1 1 388.388 0.892 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575902448 950260840 /nfs/dbraw/zinc/26/08/40/950260840.db2.gz UYTZDYJDDKSFKS-RKDXNWHRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575902448 950260848 /nfs/dbraw/zinc/26/08/48/950260848.db2.gz UYTZDYJDDKSFKS-RKDXNWHRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574498081 950262636 /nfs/dbraw/zinc/26/26/36/950262636.db2.gz JQIQRYOAJZDHPC-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574498081 950262654 /nfs/dbraw/zinc/26/26/54/950262654.db2.gz JQIQRYOAJZDHPC-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1=O ZINC001573850047 950262558 /nfs/dbraw/zinc/26/25/58/950262558.db2.gz DZHXGRMQLLYCAI-LLVKDONJSA-N -1 1 388.432 0.213 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192804 950264816 /nfs/dbraw/zinc/26/48/16/950264816.db2.gz PFBKONLZIOHFIG-WCQYABFASA-N -1 1 380.416 0.079 20 0 GCADMM CC(C)(C)OC(=O)COCCOCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001573850222 950268311 /nfs/dbraw/zinc/26/83/11/950268311.db2.gz HHKDAEYHXLKIIZ-UHFFFAOYSA-N -1 1 392.416 0.366 20 0 GCADMM CC(C)(C)OC(=O)COCCOCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001573850222 950268328 /nfs/dbraw/zinc/26/83/28/950268328.db2.gz HHKDAEYHXLKIIZ-UHFFFAOYSA-N -1 1 392.416 0.366 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001575902875 950268911 /nfs/dbraw/zinc/26/89/11/950268911.db2.gz XOKCUPJFHJPHPS-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM CC(C)(C)OC(=O)Cn1cnc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001573850083 950269195 /nfs/dbraw/zinc/26/91/95/950269195.db2.gz FQXZUBJAHPGUES-UHFFFAOYSA-N -1 1 385.388 0.376 20 0 GCADMM CC(C)(C)OC(=O)Cn1cnc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001573850083 950269211 /nfs/dbraw/zinc/26/92/11/950269211.db2.gz FQXZUBJAHPGUES-UHFFFAOYSA-N -1 1 385.388 0.376 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574498372 950270521 /nfs/dbraw/zinc/27/05/21/950270521.db2.gz MUHZVMAFNNRQGS-PNESKVBLSA-N -1 1 382.432 0.233 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574158236 950272166 /nfs/dbraw/zinc/27/21/66/950272166.db2.gz PJDRJSWSHYUDNQ-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574158236 950272185 /nfs/dbraw/zinc/27/21/85/950272185.db2.gz PJDRJSWSHYUDNQ-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM C[C@]1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575592020 950274359 /nfs/dbraw/zinc/27/43/59/950274359.db2.gz AHAORJVZFCAKKH-ACJLOTCBSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575592020 950274380 /nfs/dbraw/zinc/27/43/80/950274380.db2.gz AHAORJVZFCAKKH-ACJLOTCBSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1F ZINC001574158317 950277903 /nfs/dbraw/zinc/27/79/03/950277903.db2.gz QTIBCXIAIWMFBG-NSHDSACASA-N -1 1 385.407 0.869 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574158492 950280035 /nfs/dbraw/zinc/28/00/35/950280035.db2.gz BNSLXJGHGXCVMO-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574158492 950280062 /nfs/dbraw/zinc/28/00/62/950280062.db2.gz BNSLXJGHGXCVMO-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001574498667 950285886 /nfs/dbraw/zinc/28/58/86/950285886.db2.gz PFLPEKBFBUKYHZ-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001574498667 950285901 /nfs/dbraw/zinc/28/59/01/950285901.db2.gz PFLPEKBFBUKYHZ-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cscn1 ZINC001574158779 950287888 /nfs/dbraw/zinc/28/78/88/950287888.db2.gz SKYPCSTWCLFYDX-NSHDSACASA-N -1 1 387.473 0.721 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)CC(N)=O ZINC001574158826 950289633 /nfs/dbraw/zinc/28/96/33/950289633.db2.gz CLVTXYOUCUBHAE-MNOVXSKESA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)CC(N)=O ZINC001574158826 950289652 /nfs/dbraw/zinc/28/96/52/950289652.db2.gz CLVTXYOUCUBHAE-MNOVXSKESA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCN(C)C1=O ZINC001574158808 950292874 /nfs/dbraw/zinc/29/28/74/950292874.db2.gz TUYIASJMIXEKLU-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCN(C)C1=O ZINC001574158808 950292892 /nfs/dbraw/zinc/29/28/92/950292892.db2.gz TUYIASJMIXEKLU-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)CO1 ZINC001573851370 950294310 /nfs/dbraw/zinc/29/43/10/950294310.db2.gz WIBGWIQKOIXJKM-UWVGGRQHSA-N -1 1 377.405 0.813 20 0 GCADMM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001573851844 950297635 /nfs/dbraw/zinc/29/76/35/950297635.db2.gz ADHOLFSWUZTCFF-UHFFFAOYSA-N -1 1 392.420 0.680 20 0 GCADMM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001573851844 950297655 /nfs/dbraw/zinc/29/76/55/950297655.db2.gz ADHOLFSWUZTCFF-UHFFFAOYSA-N -1 1 392.420 0.680 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574159229 950297979 /nfs/dbraw/zinc/29/79/79/950297979.db2.gz UMDYWBVBCGXFFE-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574159229 950297999 /nfs/dbraw/zinc/29/79/99/950297999.db2.gz UMDYWBVBCGXFFE-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)n1cccn1 ZINC001574499725 950302904 /nfs/dbraw/zinc/30/29/04/950302904.db2.gz WKBGVIHYYFXCIP-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)n1cccn1 ZINC001574499725 950302924 /nfs/dbraw/zinc/30/29/24/950302924.db2.gz WKBGVIHYYFXCIP-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193608 950307172 /nfs/dbraw/zinc/30/71/72/950307172.db2.gz UTTJXKSFNZKXQJ-VHSXEESVSA-N -1 1 386.395 0.151 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574500023 950308613 /nfs/dbraw/zinc/30/86/13/950308613.db2.gz XWSLVHYFHVCMPH-IDKOKCKLSA-N -1 1 384.366 0.974 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001574159666 950310547 /nfs/dbraw/zinc/31/05/47/950310547.db2.gz XSQNPKSQABDCME-GFCCVEGCSA-N -1 1 385.407 0.869 20 0 GCADMM C[C@]1(C(=O)NCCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCOC1 ZINC001575593818 950316598 /nfs/dbraw/zinc/31/65/98/950316598.db2.gz OOSVWKVVNNNRHE-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCOC1 ZINC001575593818 950316625 /nfs/dbraw/zinc/31/66/25/950316625.db2.gz OOSVWKVVNNNRHE-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001573853463 950323067 /nfs/dbraw/zinc/32/30/67/950323067.db2.gz PMHZESRZMBWWTE-GFCCVEGCSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001573853463 950323089 /nfs/dbraw/zinc/32/30/89/950323089.db2.gz PMHZESRZMBWWTE-GFCCVEGCSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1ccnn1 ZINC001574159803 950324153 /nfs/dbraw/zinc/32/41/53/950324153.db2.gz JIMXSQWEWLNISN-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1ccnn1 ZINC001574159803 950324176 /nfs/dbraw/zinc/32/41/76/950324176.db2.gz JIMXSQWEWLNISN-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Cn1cc(-c3nn[n-]n3)nn1)OC2=O ZINC001573853507 950325465 /nfs/dbraw/zinc/32/54/65/950325465.db2.gz QKMFCTXLOWBQBU-VIFPVBQESA-N -1 1 376.377 0.011 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574501472 950335993 /nfs/dbraw/zinc/33/59/93/950335993.db2.gz DPRPTZVKQRKKPO-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574501472 950336012 /nfs/dbraw/zinc/33/60/12/950336012.db2.gz DPRPTZVKQRKKPO-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573854009 950338843 /nfs/dbraw/zinc/33/88/43/950338843.db2.gz WOEKHYKEBPMZEL-HNNXBMFYSA-N -1 1 378.393 0.290 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573854009 950338863 /nfs/dbraw/zinc/33/88/63/950338863.db2.gz WOEKHYKEBPMZEL-HNNXBMFYSA-N -1 1 378.393 0.290 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574501891 950344647 /nfs/dbraw/zinc/34/46/47/950344647.db2.gz HEIBWJCTEGFIMT-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574501891 950344668 /nfs/dbraw/zinc/34/46/68/950344668.db2.gz HEIBWJCTEGFIMT-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575595031 950347298 /nfs/dbraw/zinc/34/72/98/950347298.db2.gz XAPFTEUUZYLTQO-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575595031 950347318 /nfs/dbraw/zinc/34/73/18/950347318.db2.gz XAPFTEUUZYLTQO-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574161241 950353689 /nfs/dbraw/zinc/35/36/89/950353689.db2.gz SDHUDXRUKAMAOH-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574161241 950353708 /nfs/dbraw/zinc/35/37/08/950353708.db2.gz SDHUDXRUKAMAOH-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001573855182 950356077 /nfs/dbraw/zinc/35/60/77/950356077.db2.gz KUOPNVSIYYJSTP-GFCCVEGCSA-N -1 1 379.446 0.330 20 0 GCADMM CC(C)(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001573855182 950356095 /nfs/dbraw/zinc/35/60/95/950356095.db2.gz KUOPNVSIYYJSTP-GFCCVEGCSA-N -1 1 379.446 0.330 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574162430 950380728 /nfs/dbraw/zinc/38/07/28/950380728.db2.gz ALEGAYAEPAOHQM-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574162430 950380747 /nfs/dbraw/zinc/38/07/47/950380747.db2.gz ALEGAYAEPAOHQM-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573855573 950384646 /nfs/dbraw/zinc/38/46/46/950384646.db2.gz YKVPFVBMKBAZFC-LOWDOPEQSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574746142 950392697 /nfs/dbraw/zinc/39/26/97/950392697.db2.gz LZRJGJRNXGRGLF-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574746142 950392719 /nfs/dbraw/zinc/39/27/19/950392719.db2.gz LZRJGJRNXGRGLF-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2ncncc2-c2nn[n-]n2)C[C@H]1CCO ZINC001573856801 950394398 /nfs/dbraw/zinc/39/43/98/950394398.db2.gz JIDKMWPFURDOGM-LLVKDONJSA-N -1 1 376.421 0.465 20 0 GCADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nn1C ZINC001574746305 950396078 /nfs/dbraw/zinc/39/60/78/950396078.db2.gz NJCRWOAOPVOKIM-LLVKDONJSA-N -1 1 384.448 0.508 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574162712 950401731 /nfs/dbraw/zinc/40/17/31/950401731.db2.gz HJZQRYYCIUTRMQ-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574162712 950401738 /nfs/dbraw/zinc/40/17/38/950401738.db2.gz HJZQRYYCIUTRMQ-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@]1(F)CCOC1 ZINC001574162802 950404994 /nfs/dbraw/zinc/40/49/94/950404994.db2.gz JKGUKNLOFNNTFQ-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574162802 950405012 /nfs/dbraw/zinc/40/50/12/950405012.db2.gz JKGUKNLOFNNTFQ-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001573857508 950407423 /nfs/dbraw/zinc/40/74/23/950407423.db2.gz SWHDNYCUFIVYEP-SECBINFHSA-N -1 1 378.393 0.554 20 0 GCADMM CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001573860056 950416302 /nfs/dbraw/zinc/41/63/02/950416302.db2.gz CBOQGZKUOOLQBF-LLVKDONJSA-N -1 1 391.436 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574163126 950418157 /nfs/dbraw/zinc/41/81/57/950418157.db2.gz PUCQRRRYPNTCSS-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574163126 950418168 /nfs/dbraw/zinc/41/81/68/950418168.db2.gz PUCQRRRYPNTCSS-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001574163219 950419089 /nfs/dbraw/zinc/41/90/89/950419089.db2.gz RDIIGOPIFMDROJ-VXGBXAGGSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001574163219 950419104 /nfs/dbraw/zinc/41/91/04/950419104.db2.gz RDIIGOPIFMDROJ-VXGBXAGGSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574504039 950424043 /nfs/dbraw/zinc/42/40/43/950424043.db2.gz ZPKIXMXBGDRDMG-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573860632 950425981 /nfs/dbraw/zinc/42/59/81/950425981.db2.gz KCZSMJUWKNDFNG-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910722 950429007 /nfs/dbraw/zinc/42/90/07/950429007.db2.gz BGYZRAQZJXQRNY-SKDRFNHKSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910722 950429020 /nfs/dbraw/zinc/42/90/20/950429020.db2.gz BGYZRAQZJXQRNY-SKDRFNHKSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574750582 950430353 /nfs/dbraw/zinc/43/03/53/950430353.db2.gz DDBGOWQRCLWYRF-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574750582 950430365 /nfs/dbraw/zinc/43/03/65/950430365.db2.gz DDBGOWQRCLWYRF-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574750581 950430707 /nfs/dbraw/zinc/43/07/07/950430707.db2.gz DDBGOWQRCLWYRF-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574750581 950430716 /nfs/dbraw/zinc/43/07/16/950430716.db2.gz DDBGOWQRCLWYRF-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cccc(F)c1 ZINC001574506703 950440669 /nfs/dbraw/zinc/44/06/69/950440669.db2.gz BWFMGTYCIOZOLT-JTQLQIEISA-N -1 1 387.375 0.578 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574163860 950442936 /nfs/dbraw/zinc/44/29/36/950442936.db2.gz ZRJONQTUKKRKJT-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574163860 950442947 /nfs/dbraw/zinc/44/29/47/950442947.db2.gz ZRJONQTUKKRKJT-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574750791 950445923 /nfs/dbraw/zinc/44/59/23/950445923.db2.gz IAEDHXMTMKTGOJ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574750791 950445940 /nfs/dbraw/zinc/44/59/40/950445940.db2.gz IAEDHXMTMKTGOJ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)CC1(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574165544 950449416 /nfs/dbraw/zinc/44/94/16/950449416.db2.gz GXFGLOAULYXZGZ-CYBMUJFWSA-N -1 1 388.476 0.574 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574507326 950456363 /nfs/dbraw/zinc/45/63/63/950456363.db2.gz HWOGJYWPSWYDKJ-MELADBBJSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574751939 950469893 /nfs/dbraw/zinc/46/98/93/950469893.db2.gz RTODIVGHGRZGTJ-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574751939 950469901 /nfs/dbraw/zinc/46/99/01/950469901.db2.gz RTODIVGHGRZGTJ-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM CC(C)CC1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCC1 ZINC001574166722 950476311 /nfs/dbraw/zinc/47/63/11/950476311.db2.gz WWNKMRZAJVOXGE-UHFFFAOYSA-N -1 1 375.433 0.852 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575913140 950477125 /nfs/dbraw/zinc/47/71/25/950477125.db2.gz IUYMULSETHVJPS-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575913140 950477141 /nfs/dbraw/zinc/47/71/41/950477141.db2.gz IUYMULSETHVJPS-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575605856 950484906 /nfs/dbraw/zinc/48/49/06/950484906.db2.gz XKWSTZXPLIAIHH-IUWMUCMRSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575605856 950484934 /nfs/dbraw/zinc/48/49/34/950484934.db2.gz XKWSTZXPLIAIHH-IUWMUCMRSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1nccnc1-c1nnn[n-]1 ZINC001574752536 950485295 /nfs/dbraw/zinc/48/52/95/950485295.db2.gz XSWSDQVZARXQQO-SNVBAGLBSA-N -1 1 386.420 0.279 20 0 GCADMM CC(C)(C)OC(=O)c1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001573863962 950493306 /nfs/dbraw/zinc/49/33/06/950493306.db2.gz VDYFNCQMEBUUFN-UHFFFAOYSA-N -1 1 384.400 0.730 20 0 GCADMM CC(C)(C)OC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573863955 950493743 /nfs/dbraw/zinc/49/37/43/950493743.db2.gz UXTZBXCMYKAAEC-MGCOHNPYSA-N -1 1 380.430 0.660 20 0 GCADMM CC(C)(C)OC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573863955 950493755 /nfs/dbraw/zinc/49/37/55/950493755.db2.gz UXTZBXCMYKAAEC-MGCOHNPYSA-N -1 1 380.430 0.660 20 0 GCADMM CC(C)CC1(CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001574167753 950493873 /nfs/dbraw/zinc/49/38/73/950493873.db2.gz IKJDRGBUPCQELU-UHFFFAOYSA-N -1 1 376.421 0.255 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574509234 950499501 /nfs/dbraw/zinc/49/95/01/950499501.db2.gz TZIMRYQUFYWIHV-JHJVBQTASA-N -1 1 382.432 0.233 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)nn1C ZINC001574995014 950500963 /nfs/dbraw/zinc/50/09/63/950500963.db2.gz CAFNATXKKLRDPK-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)nn1C ZINC001574995014 950500978 /nfs/dbraw/zinc/50/09/78/950500978.db2.gz CAFNATXKKLRDPK-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM C[C@@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001574509296 950505500 /nfs/dbraw/zinc/50/55/00/950505500.db2.gz PVIDRXIYSDBQPA-NSHDSACASA-N -1 1 375.433 0.852 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc2nncn2c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753159 950508141 /nfs/dbraw/zinc/50/81/41/950508141.db2.gz IZQHFOCPYQLOPH-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc2nncn2c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753159 950508148 /nfs/dbraw/zinc/50/81/48/950508148.db2.gz IZQHFOCPYQLOPH-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866923 950513357 /nfs/dbraw/zinc/51/33/57/950513357.db2.gz NSILMCTZIXEAJH-OCCSQVGLSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866923 950513380 /nfs/dbraw/zinc/51/33/80/950513380.db2.gz NSILMCTZIXEAJH-OCCSQVGLSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573866934 950519542 /nfs/dbraw/zinc/51/95/42/950519542.db2.gz NZMVAOUZHPLXLC-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573866934 950519558 /nfs/dbraw/zinc/51/95/58/950519558.db2.gz NZMVAOUZHPLXLC-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ncccn1 ZINC001575915766 950520220 /nfs/dbraw/zinc/52/02/20/950520220.db2.gz ODPXRKZIKWTPMA-VXGBXAGGSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ncccn1 ZINC001575915766 950520238 /nfs/dbraw/zinc/52/02/38/950520238.db2.gz ODPXRKZIKWTPMA-VXGBXAGGSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574995971 950520361 /nfs/dbraw/zinc/52/03/61/950520361.db2.gz IZHCXBHRGRBGKX-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574995971 950520378 /nfs/dbraw/zinc/52/03/78/950520378.db2.gz IZHCXBHRGRBGKX-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574996014 950522049 /nfs/dbraw/zinc/52/20/49/950522049.db2.gz JQCRFKXMOXJKRA-ZETCQYMHSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574996014 950522053 /nfs/dbraw/zinc/52/20/53/950522053.db2.gz JQCRFKXMOXJKRA-ZETCQYMHSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753400 950522815 /nfs/dbraw/zinc/52/28/15/950522815.db2.gz MJCAXQBWGZQOLQ-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753400 950522831 /nfs/dbraw/zinc/52/28/31/950522831.db2.gz MJCAXQBWGZQOLQ-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)[C@H]1CCCO1 ZINC001574509693 950527933 /nfs/dbraw/zinc/52/79/33/950527933.db2.gz VVCWKHNPIWTLCA-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)[C@H]1CCCO1 ZINC001574509693 950527948 /nfs/dbraw/zinc/52/79/48/950527948.db2.gz VVCWKHNPIWTLCA-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C1 ZINC001575614394 950528200 /nfs/dbraw/zinc/52/82/00/950528200.db2.gz APQUPASITHRBPV-OAHLLOKOSA-N -1 1 392.466 0.967 20 0 GCADMM C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574996686 950528336 /nfs/dbraw/zinc/52/83/36/950528336.db2.gz OIZYVZUFWVHGHI-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574996686 950528360 /nfs/dbraw/zinc/52/83/60/950528360.db2.gz OIZYVZUFWVHGHI-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CC(F)(F)C1 ZINC001575614517 950536485 /nfs/dbraw/zinc/53/64/85/950536485.db2.gz GOEOCHXXYWRHFD-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CC(F)(F)C1 ZINC001575614517 950536499 /nfs/dbraw/zinc/53/64/99/950536499.db2.gz GOEOCHXXYWRHFD-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753842 950545860 /nfs/dbraw/zinc/54/58/60/950545860.db2.gz UFJXETQFRKTRNG-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753842 950545879 /nfs/dbraw/zinc/54/58/79/950545879.db2.gz UFJXETQFRKTRNG-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574997351 950547054 /nfs/dbraw/zinc/54/70/54/950547054.db2.gz UDRYBQZOGQONHG-JTQLQIEISA-N -1 1 385.432 0.842 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)n(C)n1 ZINC001574997672 950549254 /nfs/dbraw/zinc/54/92/54/950549254.db2.gz VSRGIJPZZBZRJX-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)n(C)n1 ZINC001574997672 950549270 /nfs/dbraw/zinc/54/92/70/950549270.db2.gz VSRGIJPZZBZRJX-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)CC(C)(C)C ZINC001574510902 950550085 /nfs/dbraw/zinc/55/00/85/950550085.db2.gz DIBPLYIMJQYKQC-XQQFMLRXSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574998832 950557649 /nfs/dbraw/zinc/55/76/49/950557649.db2.gz BDYMBTUHAQTNAK-MRVPVSSYSA-N -1 1 390.358 0.639 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574998832 950557663 /nfs/dbraw/zinc/55/76/63/950557663.db2.gz BDYMBTUHAQTNAK-MRVPVSSYSA-N -1 1 390.358 0.639 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)COc1cccnc1 ZINC001575917194 950558146 /nfs/dbraw/zinc/55/81/46/950558146.db2.gz VBFKUFCYQZOEDF-YPMHNXCESA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)COc1cccnc1 ZINC001575917194 950558164 /nfs/dbraw/zinc/55/81/64/950558164.db2.gz VBFKUFCYQZOEDF-YPMHNXCESA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc2nccn2c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574754097 950560837 /nfs/dbraw/zinc/56/08/37/950560837.db2.gz XTTNSIIETFLGTH-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc2nccn2c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574754097 950560855 /nfs/dbraw/zinc/56/08/55/950560855.db2.gz XTTNSIIETFLGTH-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)C1(C)C ZINC001575615568 950564090 /nfs/dbraw/zinc/56/40/90/950564090.db2.gz BIDNBVVDCMBGRG-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)C1(C)C ZINC001575615568 950564107 /nfs/dbraw/zinc/56/41/07/950564107.db2.gz BIDNBVVDCMBGRG-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574999215 950572343 /nfs/dbraw/zinc/57/23/43/950572343.db2.gz GUEUBOAVHZGYHC-MRVPVSSYSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574999215 950572362 /nfs/dbraw/zinc/57/23/62/950572362.db2.gz GUEUBOAVHZGYHC-MRVPVSSYSA-N -1 1 390.358 0.862 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573869917 950574968 /nfs/dbraw/zinc/57/49/68/950574968.db2.gz RKUJHLGTCKRHAO-XQQFMLRXSA-N -1 1 386.460 0.945 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574172740 950581694 /nfs/dbraw/zinc/58/16/94/950581694.db2.gz BDIBSPMMOHENBK-CQSZACIVSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574172740 950581713 /nfs/dbraw/zinc/58/17/13/950581713.db2.gz BDIBSPMMOHENBK-CQSZACIVSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)n1cccn1 ZINC001574512813 950585058 /nfs/dbraw/zinc/58/50/58/950585058.db2.gz DAAZHSUBWBCNAF-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)n1cccn1 ZINC001574512813 950585076 /nfs/dbraw/zinc/58/50/76/950585076.db2.gz DAAZHSUBWBCNAF-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)n1cccn1 ZINC001574512810 950585344 /nfs/dbraw/zinc/58/53/44/950585344.db2.gz DAAZHSUBWBCNAF-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)n1cccn1 ZINC001574512810 950585361 /nfs/dbraw/zinc/58/53/61/950585361.db2.gz DAAZHSUBWBCNAF-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccsc1 ZINC001575918176 950588867 /nfs/dbraw/zinc/58/88/67/950588867.db2.gz AWDJJRHTCPWSCS-ZYHUDNBSSA-N -1 1 386.441 0.620 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575000083 950593248 /nfs/dbraw/zinc/59/32/48/950593248.db2.gz OVZXYCMKGCLMKN-VIFPVBQESA-N -1 1 381.400 0.287 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575000054 950594153 /nfs/dbraw/zinc/59/41/53/950594153.db2.gz ORLHQJAIVVCEJZ-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575000054 950594176 /nfs/dbraw/zinc/59/41/76/950594176.db2.gz ORLHQJAIVVCEJZ-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001575918502 950597575 /nfs/dbraw/zinc/59/75/75/950597575.db2.gz CVHFYGURWDODBS-NWDGAFQWSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000133 950599108 /nfs/dbraw/zinc/59/91/08/950599108.db2.gz PFPFBSWMLWDGHG-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000133 950599131 /nfs/dbraw/zinc/59/91/31/950599131.db2.gz PFPFBSWMLWDGHG-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575000156 950600295 /nfs/dbraw/zinc/60/02/95/950600295.db2.gz PHMQOJHVWSUSKI-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575000156 950600304 /nfs/dbraw/zinc/60/03/04/950600304.db2.gz PHMQOJHVWSUSKI-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)n1cccn1 ZINC001574513334 950606001 /nfs/dbraw/zinc/60/60/01/950606001.db2.gz OTZXGHOEVBRWCZ-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)n1cccn1 ZINC001574513334 950606011 /nfs/dbraw/zinc/60/60/11/950606011.db2.gz OTZXGHOEVBRWCZ-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758320 950607117 /nfs/dbraw/zinc/60/71/17/950607117.db2.gz ATDGCXIWDKIPGM-VIFPVBQESA-N -1 1 389.370 0.984 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573870951 950610816 /nfs/dbraw/zinc/61/08/16/950610816.db2.gz LACUFBUDRZOACW-ZETCQYMHSA-N -1 1 389.869 0.681 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)n1cccn1 ZINC001574513535 950610954 /nfs/dbraw/zinc/61/09/54/950610954.db2.gz SCZSIYQCMCORHG-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758563 950613637 /nfs/dbraw/zinc/61/36/37/950613637.db2.gz DHTPKHRKTORJEB-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758563 950613663 /nfs/dbraw/zinc/61/36/63/950613663.db2.gz DHTPKHRKTORJEB-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM CC1(C)C(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575618593 950614868 /nfs/dbraw/zinc/61/48/68/950614868.db2.gz KTPAUOCYPKBQOQ-GOSISDBHSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575618593 950614880 /nfs/dbraw/zinc/61/48/80/950614880.db2.gz KTPAUOCYPKBQOQ-GOSISDBHSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575919412 950616542 /nfs/dbraw/zinc/61/65/42/950616542.db2.gz HTYSHVCYMZGOFR-TZMCWYRMSA-N -1 1 386.460 0.687 20 0 GCADMM CC1(C)C(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575619839 950622897 /nfs/dbraw/zinc/62/28/97/950622897.db2.gz QMPROJGXYSNOJF-SFHVURJKSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575619839 950622918 /nfs/dbraw/zinc/62/29/18/950622918.db2.gz QMPROJGXYSNOJF-SFHVURJKSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccco1 ZINC001574515187 950623319 /nfs/dbraw/zinc/62/33/19/950623319.db2.gz BVVKGLZEGLJHPB-YMEQNVIZSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001575001122 950624211 /nfs/dbraw/zinc/62/42/11/950624211.db2.gz SRZGQDZBKMIGJE-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001575001122 950624225 /nfs/dbraw/zinc/62/42/25/950624225.db2.gz SRZGQDZBKMIGJE-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575001190 950628057 /nfs/dbraw/zinc/62/80/57/950628057.db2.gz VCUGOOMXCKTGSS-QMMMGPOBSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575001190 950628071 /nfs/dbraw/zinc/62/80/71/950628071.db2.gz VCUGOOMXCKTGSS-QMMMGPOBSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575920596 950631893 /nfs/dbraw/zinc/63/18/93/950631893.db2.gz MQDTXHULKPNRFM-RKDXNWHRSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574759309 950634475 /nfs/dbraw/zinc/63/44/75/950634475.db2.gz MRVWQQDPWZNRGO-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574759309 950634487 /nfs/dbraw/zinc/63/44/87/950634487.db2.gz MRVWQQDPWZNRGO-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](CO)Nc1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575622307 950640090 /nfs/dbraw/zinc/64/00/90/950640090.db2.gz CAEVYUHPFKDJPL-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](CO)Nc1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575622307 950640105 /nfs/dbraw/zinc/64/01/05/950640105.db2.gz CAEVYUHPFKDJPL-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575921679 950641414 /nfs/dbraw/zinc/64/14/14/950641414.db2.gz OEHXAGHBPLVPMD-PWSUYJOCSA-N -1 1 392.427 0.461 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574759610 950641935 /nfs/dbraw/zinc/64/19/35/950641935.db2.gz PPZQRBPBXHPGCP-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574759610 950641947 /nfs/dbraw/zinc/64/19/47/950641947.db2.gz PPZQRBPBXHPGCP-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001575922532 950644003 /nfs/dbraw/zinc/64/40/03/950644003.db2.gz PPWMFIYOVSXKNR-ZYHUDNBSSA-N -1 1 390.411 0.670 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759730 950644502 /nfs/dbraw/zinc/64/45/02/950644502.db2.gz DKIGVKQBKOVUNS-LLVKDONJSA-N -1 1 384.448 0.508 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574518264 950649473 /nfs/dbraw/zinc/64/94/73/950649473.db2.gz MZPMAMFIQQZODT-OPRDCNLKSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575923264 950653175 /nfs/dbraw/zinc/65/31/75/950653175.db2.gz QCOUVJGLXXXAPE-GXSJLCMTSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575002171 950653186 /nfs/dbraw/zinc/65/31/86/950653186.db2.gz ZWGJRNZIEXIUQG-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575002171 950653202 /nfs/dbraw/zinc/65/32/02/950653202.db2.gz ZWGJRNZIEXIUQG-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575623563 950653300 /nfs/dbraw/zinc/65/33/00/950653300.db2.gz CPHFXFJRCUTTNN-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575623563 950653313 /nfs/dbraw/zinc/65/33/13/950653313.db2.gz CPHFXFJRCUTTNN-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575923263 950653932 /nfs/dbraw/zinc/65/39/32/950653932.db2.gz PZWMQCRDPVSVKZ-ONGXEEELSA-N -1 1 380.416 0.394 20 0 GCADMM CC1(C)C(c2cc(NC(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)n[nH]2)C1(C)C ZINC001575623918 950657013 /nfs/dbraw/zinc/65/70/13/950657013.db2.gz LRRBNSOJSHOWGF-UHFFFAOYSA-N -1 1 399.415 0.640 20 0 GCADMM CCN1CCN(CC(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)CC1 ZINC001589744509 950657320 /nfs/dbraw/zinc/65/73/20/950657320.db2.gz UKEYLUIYKYFQHS-AEFFLSMTSA-N -1 1 388.468 0.167 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760200 950659005 /nfs/dbraw/zinc/65/90/05/950659005.db2.gz HEYDIENMCKNJGI-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760200 950659021 /nfs/dbraw/zinc/65/90/21/950659021.db2.gz HEYDIENMCKNJGI-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575923345 950659508 /nfs/dbraw/zinc/65/95/08/950659508.db2.gz RBISLSIASWXOFR-WCBMZHEXSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760228 950660082 /nfs/dbraw/zinc/66/00/82/950660082.db2.gz HSSMSFWVGAPWCL-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760228 950660105 /nfs/dbraw/zinc/66/01/05/950660105.db2.gz HSSMSFWVGAPWCL-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@@](CO)(Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575624492 950665414 /nfs/dbraw/zinc/66/54/14/950665414.db2.gz JSBAJTKSNMZFSA-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@@](CO)(Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575624492 950665427 /nfs/dbraw/zinc/66/54/27/950665427.db2.gz JSBAJTKSNMZFSA-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924412 950673148 /nfs/dbraw/zinc/67/31/48/950673148.db2.gz FIFQCSLSEAYCMQ-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924412 950673156 /nfs/dbraw/zinc/67/31/56/950673156.db2.gz FIFQCSLSEAYCMQ-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574519402 950678386 /nfs/dbraw/zinc/67/83/86/950678386.db2.gz USVYFCFNEYIMJP-XFMPKHEZSA-N -1 1 394.443 0.730 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574519402 950678398 /nfs/dbraw/zinc/67/83/98/950678398.db2.gz USVYFCFNEYIMJP-XFMPKHEZSA-N -1 1 394.443 0.730 20 0 GCADMM CC(C)(C)Oc1cccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001573876692 950678773 /nfs/dbraw/zinc/67/87/73/950678773.db2.gz RTVILWCCAIYOIC-UHFFFAOYSA-N -1 1 399.411 0.736 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576214811 950682931 /nfs/dbraw/zinc/68/29/31/950682931.db2.gz CJCBQQYJTXSQBN-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576214811 950682937 /nfs/dbraw/zinc/68/29/37/950682937.db2.gz CJCBQQYJTXSQBN-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575005464 950685874 /nfs/dbraw/zinc/68/58/74/950685874.db2.gz FVBUWSZYIFLHLH-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575005464 950685892 /nfs/dbraw/zinc/68/58/92/950685892.db2.gz FVBUWSZYIFLHLH-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM CC1(C)CC(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575625437 950687288 /nfs/dbraw/zinc/68/72/88/950687288.db2.gz TXUFXMQPKQSCQY-ZDUSSCGKSA-N -1 1 386.460 0.544 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](O)CNc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575625610 950690981 /nfs/dbraw/zinc/69/09/81/950690981.db2.gz SMUPQRURCKPCGS-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](O)CNc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575625610 950690996 /nfs/dbraw/zinc/69/09/96/950690996.db2.gz SMUPQRURCKPCGS-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001575925756 950691365 /nfs/dbraw/zinc/69/13/65/950691365.db2.gz USPYBLVXXCWVEF-SFYZADRCSA-N -1 1 391.848 0.904 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576215218 950691563 /nfs/dbraw/zinc/69/15/63/950691563.db2.gz DRWPTXOEDGHPCV-VHSXEESVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)c2C1 ZINC001576215211 950691852 /nfs/dbraw/zinc/69/18/52/950691852.db2.gz DRIMGPCIGYQWRO-SNVBAGLBSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)c2C1 ZINC001576215211 950691864 /nfs/dbraw/zinc/69/18/64/950691864.db2.gz DRIMGPCIGYQWRO-SNVBAGLBSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)N(C)CCNc3cnc(-c4nnn[n-]4)cn3)c2C1 ZINC001576215309 950694385 /nfs/dbraw/zinc/69/43/85/950694385.db2.gz FFVTXAVOOJXIPO-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)N(C)CCNc3cnc(-c4nn[n-]n4)cn3)c2C1 ZINC001576215309 950694394 /nfs/dbraw/zinc/69/43/94/950694394.db2.gz FFVTXAVOOJXIPO-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573877806 950696553 /nfs/dbraw/zinc/69/65/53/950696553.db2.gz GYDIXEAIBTUEHH-SEDUGSJDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573877806 950696569 /nfs/dbraw/zinc/69/65/69/950696569.db2.gz GYDIXEAIBTUEHH-SEDUGSJDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573878180 950699064 /nfs/dbraw/zinc/69/90/64/950699064.db2.gz KNUPLFSIVGIDRK-SEDUGSJDSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001574519852 950699541 /nfs/dbraw/zinc/69/95/41/950699541.db2.gz IXIZDOHOXWIBHP-CIQGVGRVSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001574519852 950699555 /nfs/dbraw/zinc/69/95/55/950699555.db2.gz IXIZDOHOXWIBHP-CIQGVGRVSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1cccnc1 ZINC001575926109 950701554 /nfs/dbraw/zinc/70/15/54/950701554.db2.gz IUAKKXOOWOWGRO-YPMHNXCESA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1cccnc1 ZINC001575926109 950701567 /nfs/dbraw/zinc/70/15/67/950701567.db2.gz IUAKKXOOWOWGRO-YPMHNXCESA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1cccnc1 ZINC001575926104 950702686 /nfs/dbraw/zinc/70/26/86/950702686.db2.gz IUAKKXOOWOWGRO-DGCLKSJQSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1cccnc1 ZINC001575926104 950702698 /nfs/dbraw/zinc/70/26/98/950702698.db2.gz IUAKKXOOWOWGRO-DGCLKSJQSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215662 950703555 /nfs/dbraw/zinc/70/35/55/950703555.db2.gz FSEGCLBLPPAXSX-GHMZBOCLSA-N -1 1 382.432 0.088 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574179538 950705845 /nfs/dbraw/zinc/70/58/45/950705845.db2.gz DJXZMJIMUBJUKT-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574179538 950705857 /nfs/dbraw/zinc/70/58/57/950705857.db2.gz DJXZMJIMUBJUKT-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccnn1C ZINC001575926390 950708622 /nfs/dbraw/zinc/70/86/22/950708622.db2.gz JQODYTNWNYZZRH-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccnn1C ZINC001575926390 950708639 /nfs/dbraw/zinc/70/86/39/950708639.db2.gz JQODYTNWNYZZRH-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926378 950709233 /nfs/dbraw/zinc/70/92/33/950709233.db2.gz JOHOEWURIXDNOA-WDEREUQCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926378 950709249 /nfs/dbraw/zinc/70/92/49/950709249.db2.gz JOHOEWURIXDNOA-WDEREUQCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575926441 950709806 /nfs/dbraw/zinc/70/98/06/950709806.db2.gz KBMOQONUJYZGSS-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575926441 950709823 /nfs/dbraw/zinc/70/98/23/950709823.db2.gz KBMOQONUJYZGSS-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926376 950710112 /nfs/dbraw/zinc/71/01/12/950710112.db2.gz JOHOEWURIXDNOA-QWRGUYRKSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926376 950710128 /nfs/dbraw/zinc/71/01/28/950710128.db2.gz JOHOEWURIXDNOA-QWRGUYRKSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926374 950710291 /nfs/dbraw/zinc/71/02/91/950710291.db2.gz JOHOEWURIXDNOA-MNOVXSKESA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926374 950710303 /nfs/dbraw/zinc/71/03/03/950710303.db2.gz JOHOEWURIXDNOA-MNOVXSKESA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576215752 950711000 /nfs/dbraw/zinc/71/10/00/950711000.db2.gz GFQSUUDIBVVEFW-VHSXEESVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1ccncc1 ZINC001574520124 950711144 /nfs/dbraw/zinc/71/11/44/950711144.db2.gz MKQRBBVDGZIGMS-IUWMUCMRSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1ccncc1 ZINC001574520124 950711163 /nfs/dbraw/zinc/71/11/63/950711163.db2.gz MKQRBBVDGZIGMS-IUWMUCMRSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)N(C)CCNc3cncc(-c4nnn[n-]4)n3)c2C1 ZINC001576215890 950712406 /nfs/dbraw/zinc/71/24/06/950712406.db2.gz HADDKHOBVUFUJW-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)N(C)CCNc3cncc(-c4nn[n-]n4)n3)c2C1 ZINC001576215890 950712427 /nfs/dbraw/zinc/71/24/27/950712427.db2.gz HADDKHOBVUFUJW-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576215903 950712618 /nfs/dbraw/zinc/71/26/18/950712618.db2.gz HDFIFAJPQVTMHI-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576215903 950712648 /nfs/dbraw/zinc/71/26/48/950712648.db2.gz HDFIFAJPQVTMHI-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575926549 950715962 /nfs/dbraw/zinc/71/59/62/950715962.db2.gz XOCJZNMSJGPUEK-KGLIPLIRSA-N -1 1 381.444 0.762 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1ccnc1 ZINC001574520186 950718204 /nfs/dbraw/zinc/71/82/04/950718204.db2.gz NKJBBNHYDYFYQH-CIQGVGRVSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1ccnc1 ZINC001574520186 950718217 /nfs/dbraw/zinc/71/82/17/950718217.db2.gz NKJBBNHYDYFYQH-CIQGVGRVSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763501 950719467 /nfs/dbraw/zinc/71/94/67/950719467.db2.gz CNZJHYSPYCPASG-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763501 950719482 /nfs/dbraw/zinc/71/94/82/950719482.db2.gz CNZJHYSPYCPASG-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575006532 950719530 /nfs/dbraw/zinc/71/95/30/950719530.db2.gz VJTOMKIZLOJSJU-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575006532 950719541 /nfs/dbraw/zinc/71/95/41/950719541.db2.gz VJTOMKIZLOJSJU-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)no1 ZINC001573879513 950723056 /nfs/dbraw/zinc/72/30/56/950723056.db2.gz DBZWSHWCWPCHNE-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)no1 ZINC001573879513 950723070 /nfs/dbraw/zinc/72/30/70/950723070.db2.gz DBZWSHWCWPCHNE-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575926807 950724656 /nfs/dbraw/zinc/72/46/56/950724656.db2.gz LZFRYMRWLZUVOT-GHMZBOCLSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575926807 950724674 /nfs/dbraw/zinc/72/46/74/950724674.db2.gz LZFRYMRWLZUVOT-GHMZBOCLSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)no1 ZINC001573879470 950725230 /nfs/dbraw/zinc/72/52/30/950725230.db2.gz CBUAFDWDIKCKBF-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)no1 ZINC001573879470 950725242 /nfs/dbraw/zinc/72/52/42/950725242.db2.gz CBUAFDWDIKCKBF-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763644 950726927 /nfs/dbraw/zinc/72/69/27/950726927.db2.gz HDWKLMXKAQTNHZ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763644 950726936 /nfs/dbraw/zinc/72/69/36/950726936.db2.gz HDWKLMXKAQTNHZ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576216292 950729054 /nfs/dbraw/zinc/72/90/54/950729054.db2.gz DGJLPSHNTFYFPS-NXEZZACHSA-N -1 1 380.403 0.876 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575927057 950729547 /nfs/dbraw/zinc/72/95/47/950729547.db2.gz ZWJXQOJCSZFDIC-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575927057 950729563 /nfs/dbraw/zinc/72/95/63/950729563.db2.gz ZWJXQOJCSZFDIC-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CNC(=O)c1cc2cccn2cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575006927 950731160 /nfs/dbraw/zinc/73/11/60/950731160.db2.gz XZJMXRSHBBCSHP-NSHDSACASA-N -1 1 378.400 0.204 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575927023 950732136 /nfs/dbraw/zinc/73/21/36/950732136.db2.gz ZSAJGPGQOKCKHS-IUCAKERBSA-N -1 1 390.358 0.385 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccncc1 ZINC001574520484 950732647 /nfs/dbraw/zinc/73/26/47/950732647.db2.gz SUUKMJYKPHRYSD-UYHMYPTGSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccncc1 ZINC001574520484 950732664 /nfs/dbraw/zinc/73/26/64/950732664.db2.gz SUUKMJYKPHRYSD-UYHMYPTGSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763823 950733480 /nfs/dbraw/zinc/73/34/80/950733480.db2.gz LRDBUCOQWYYMIS-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763823 950733492 /nfs/dbraw/zinc/73/34/92/950733492.db2.gz LRDBUCOQWYYMIS-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575629391 950738920 /nfs/dbraw/zinc/73/89/20/950738920.db2.gz NZWMPILKLGIQIB-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575629391 950738932 /nfs/dbraw/zinc/73/89/32/950738932.db2.gz NZWMPILKLGIQIB-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C)c1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)n[nH]1 ZINC001573880124 950739755 /nfs/dbraw/zinc/73/97/55/950739755.db2.gz SPOFAPQGAWYWRG-UHFFFAOYSA-N -1 1 386.420 0.699 20 0 GCADMM CC(C)(C)c1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)n[nH]1 ZINC001573880124 950739773 /nfs/dbraw/zinc/73/97/73/950739773.db2.gz SPOFAPQGAWYWRG-UHFFFAOYSA-N -1 1 386.420 0.699 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574181049 950739719 /nfs/dbraw/zinc/73/97/19/950739719.db2.gz JGWLVCWPCYWCRC-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574181049 950739735 /nfs/dbraw/zinc/73/97/35/950739735.db2.gz JGWLVCWPCYWCRC-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763886 950740645 /nfs/dbraw/zinc/74/06/45/950740645.db2.gz MYSUNZUHCYSPTE-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763886 950740661 /nfs/dbraw/zinc/74/06/61/950740661.db2.gz MYSUNZUHCYSPTE-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001573880227 950741956 /nfs/dbraw/zinc/74/19/56/950741956.db2.gz UMRFBSZLAJZESM-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2ccccc12)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764146 950741901 /nfs/dbraw/zinc/74/19/01/950741901.db2.gz PYAOUULINIADPA-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2ccccc12)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764146 950741909 /nfs/dbraw/zinc/74/19/09/950741909.db2.gz PYAOUULINIADPA-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001573880227 950741971 /nfs/dbraw/zinc/74/19/71/950741971.db2.gz UMRFBSZLAJZESM-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001573880226 950742179 /nfs/dbraw/zinc/74/21/79/950742179.db2.gz UMRFBSZLAJZESM-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001573880226 950742192 /nfs/dbraw/zinc/74/21/92/950742192.db2.gz UMRFBSZLAJZESM-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764024 950742753 /nfs/dbraw/zinc/74/27/53/950742753.db2.gz PHFNTQNUQRNYFP-MRVPVSSYSA-N -1 1 378.347 0.243 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574181302 950743936 /nfs/dbraw/zinc/74/39/36/950743936.db2.gz LGNJHPLRYYBUJL-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574181302 950743962 /nfs/dbraw/zinc/74/39/62/950743962.db2.gz LGNJHPLRYYBUJL-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216971 950749165 /nfs/dbraw/zinc/74/91/65/950749165.db2.gz LEWWWWQUSXIEMW-VHSXEESVSA-N -1 1 382.432 0.157 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574181962 950751450 /nfs/dbraw/zinc/75/14/50/950751450.db2.gz QYUFYYRAZWCUPO-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574181962 950751465 /nfs/dbraw/zinc/75/14/65/950751465.db2.gz QYUFYYRAZWCUPO-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)O1 ZINC001576217039 950751806 /nfs/dbraw/zinc/75/18/06/950751806.db2.gz GHHFOYHGMDICFP-PIGZYNQJSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)O1 ZINC001576217039 950751823 /nfs/dbraw/zinc/75/18/23/950751823.db2.gz GHHFOYHGMDICFP-PIGZYNQJSA-N -1 1 390.423 0.601 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574181979 950752241 /nfs/dbraw/zinc/75/22/41/950752241.db2.gz RCQVSTBPPKADHT-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574182074 950758694 /nfs/dbraw/zinc/75/86/94/950758694.db2.gz UBEXXPIWNOTSHE-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764787 950760055 /nfs/dbraw/zinc/76/00/55/950760055.db2.gz YLAPFSYIZVVZJR-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764787 950760080 /nfs/dbraw/zinc/76/00/80/950760080.db2.gz YLAPFSYIZVVZJR-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217393 950760699 /nfs/dbraw/zinc/76/06/99/950760699.db2.gz NJOOQPKTWAHMKV-NXEZZACHSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)c1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001573882033 950762106 /nfs/dbraw/zinc/76/21/06/950762106.db2.gz OQIIOOGXFLUVHZ-UHFFFAOYSA-N -1 1 389.441 0.918 20 0 GCADMM C[C@@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765024 950770492 /nfs/dbraw/zinc/77/04/92/950770492.db2.gz CAHZNQBEGFYYQI-JTQLQIEISA-N -1 1 385.432 0.937 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765055 950774650 /nfs/dbraw/zinc/77/46/50/950774650.db2.gz CQTJXLZLOUKCKD-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765055 950774666 /nfs/dbraw/zinc/77/46/66/950774666.db2.gz CQTJXLZLOUKCKD-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575928144 950776229 /nfs/dbraw/zinc/77/62/29/950776229.db2.gz ZCZXCYTXXJQEPV-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575928144 950776244 /nfs/dbraw/zinc/77/62/44/950776244.db2.gz ZCZXCYTXXJQEPV-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575929285 950782832 /nfs/dbraw/zinc/78/28/32/950782832.db2.gz BLAYNJCPCQMRRY-ONGXEEELSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575929285 950782858 /nfs/dbraw/zinc/78/28/58/950782858.db2.gz BLAYNJCPCQMRRY-ONGXEEELSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573884145 950785508 /nfs/dbraw/zinc/78/55/08/950785508.db2.gz AGKGLOVADDIUJI-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573884145 950785523 /nfs/dbraw/zinc/78/55/23/950785523.db2.gz AGKGLOVADDIUJI-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573884236 950792130 /nfs/dbraw/zinc/79/21/30/950792130.db2.gz BMPPDLUPCJMSAC-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573884236 950792146 /nfs/dbraw/zinc/79/21/46/950792146.db2.gz BMPPDLUPCJMSAC-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576218781 950794354 /nfs/dbraw/zinc/79/43/54/950794354.db2.gz RNXBRLKJDVLQLN-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576218781 950794375 /nfs/dbraw/zinc/79/43/75/950794375.db2.gz RNXBRLKJDVLQLN-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)co1 ZINC001573884423 950795807 /nfs/dbraw/zinc/79/58/07/950795807.db2.gz MODOMTBATWAIOG-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)co1 ZINC001573884423 950795819 /nfs/dbraw/zinc/79/58/19/950795819.db2.gz MODOMTBATWAIOG-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576218919 950798952 /nfs/dbraw/zinc/79/89/52/950798952.db2.gz RWWKNMCATWBVQB-WDEREUQCSA-N -1 1 382.432 0.088 20 0 GCADMM CC(C)(C)c1[nH]cnc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573884716 950802042 /nfs/dbraw/zinc/80/20/42/950802042.db2.gz JQYZJMRFMZGZSW-UHFFFAOYSA-N -1 1 386.420 0.699 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219116 950802337 /nfs/dbraw/zinc/80/23/37/950802337.db2.gz SKHNDIATIIZLTO-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219116 950802359 /nfs/dbraw/zinc/80/23/59/950802359.db2.gz SKHNDIATIIZLTO-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575931475 950805474 /nfs/dbraw/zinc/80/54/74/950805474.db2.gz ICIHGWOXKANVFW-NWDGAFQWSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575931475 950805479 /nfs/dbraw/zinc/80/54/79/950805479.db2.gz ICIHGWOXKANVFW-NWDGAFQWSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575931499 950806838 /nfs/dbraw/zinc/80/68/38/950806838.db2.gz IGHQTDXJJPAOLT-GHMZBOCLSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575931499 950806857 /nfs/dbraw/zinc/80/68/57/950806857.db2.gz IGHQTDXJJPAOLT-GHMZBOCLSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574186688 950819188 /nfs/dbraw/zinc/81/91/88/950819188.db2.gz ILDYGHYAXHCVSZ-KBPBESRZSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766344 950820303 /nfs/dbraw/zinc/82/03/03/950820303.db2.gz IOAOECLDBCFDGV-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766344 950820324 /nfs/dbraw/zinc/82/03/24/950820324.db2.gz IOAOECLDBCFDGV-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575932285 950827806 /nfs/dbraw/zinc/82/78/06/950827806.db2.gz LNVPAODOIIGZJU-SCZZXKLOSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575932285 950827823 /nfs/dbraw/zinc/82/78/23/950827823.db2.gz LNVPAODOIIGZJU-SCZZXKLOSA-N -1 1 383.372 0.064 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)co1 ZINC001573885527 950831446 /nfs/dbraw/zinc/83/14/46/950831446.db2.gz TUFQCILEYLPQND-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)co1 ZINC001573885527 950831466 /nfs/dbraw/zinc/83/14/66/950831466.db2.gz TUFQCILEYLPQND-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)co1 ZINC001573885793 950832117 /nfs/dbraw/zinc/83/21/17/950832117.db2.gz UPPDLZQYBNAFPQ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)co1 ZINC001573885793 950832140 /nfs/dbraw/zinc/83/21/40/950832140.db2.gz UPPDLZQYBNAFPQ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)co1 ZINC001573885791 950835004 /nfs/dbraw/zinc/83/50/04/950835004.db2.gz UPPDLZQYBNAFPQ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)co1 ZINC001573885791 950835017 /nfs/dbraw/zinc/83/50/17/950835017.db2.gz UPPDLZQYBNAFPQ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576220629 950836156 /nfs/dbraw/zinc/83/61/56/950836156.db2.gz RYATVVGPOOLJRD-MNOVXSKESA-N -1 1 387.448 0.065 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576220629 950836174 /nfs/dbraw/zinc/83/61/74/950836174.db2.gz RYATVVGPOOLJRD-MNOVXSKESA-N -1 1 387.448 0.065 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576220626 950837453 /nfs/dbraw/zinc/83/74/53/950837453.db2.gz RYATVVGPOOLJRD-GHMZBOCLSA-N -1 1 387.448 0.065 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576220626 950837469 /nfs/dbraw/zinc/83/74/69/950837469.db2.gz RYATVVGPOOLJRD-GHMZBOCLSA-N -1 1 387.448 0.065 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)cn2C1 ZINC001576221336 950850952 /nfs/dbraw/zinc/85/09/52/950850952.db2.gz ZXWUIEWIKUZAJO-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)cn2C1 ZINC001576221336 950850976 /nfs/dbraw/zinc/85/09/76/950850976.db2.gz ZXWUIEWIKUZAJO-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ncccn1 ZINC001575934224 950852414 /nfs/dbraw/zinc/85/24/14/950852414.db2.gz QTGBPFKXTHYZMF-NEPJUHHUSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ncccn1 ZINC001575934224 950852438 /nfs/dbraw/zinc/85/24/38/950852438.db2.gz QTGBPFKXTHYZMF-NEPJUHHUSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575934134 950852491 /nfs/dbraw/zinc/85/24/91/950852491.db2.gz QILGVTDLIVVNHC-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575934134 950852512 /nfs/dbraw/zinc/85/25/12/950852512.db2.gz QILGVTDLIVVNHC-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575934200 950852831 /nfs/dbraw/zinc/85/28/31/950852831.db2.gz QQHRBWJMKDEDHO-MWLCHTKSSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575934200 950852852 /nfs/dbraw/zinc/85/28/52/950852852.db2.gz QQHRBWJMKDEDHO-MWLCHTKSSA-N -1 1 380.416 0.584 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573887692 950855980 /nfs/dbraw/zinc/85/59/80/950855980.db2.gz JAZOHOIMKXDLHQ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573887692 950856009 /nfs/dbraw/zinc/85/60/09/950856009.db2.gz JAZOHOIMKXDLHQ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576222148 950862545 /nfs/dbraw/zinc/86/25/45/950862545.db2.gz XIELPHDWARVQCQ-ZJUUUORDSA-N -1 1 378.387 0.773 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2nonc2c1 ZINC001575934503 950863694 /nfs/dbraw/zinc/86/36/94/950863694.db2.gz SATDBDCOULHWMC-ONGXEEELSA-N -1 1 392.383 0.908 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2nonc2c1 ZINC001575934503 950863712 /nfs/dbraw/zinc/86/37/12/950863712.db2.gz SATDBDCOULHWMC-ONGXEEELSA-N -1 1 392.383 0.908 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575934747 950866991 /nfs/dbraw/zinc/86/69/91/950866991.db2.gz TVIRKMZQNGLVHR-CMPLNLGQSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575934747 950867009 /nfs/dbraw/zinc/86/70/09/950867009.db2.gz TVIRKMZQNGLVHR-CMPLNLGQSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575935470 950881445 /nfs/dbraw/zinc/88/14/45/950881445.db2.gz WXLJYXMNVXJIJC-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575935470 950881453 /nfs/dbraw/zinc/88/14/53/950881453.db2.gz WXLJYXMNVXJIJC-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cn[nH]c2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640022 950885521 /nfs/dbraw/zinc/88/55/21/950885521.db2.gz GHUKIXZPNHDLCD-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cn[nH]c2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640022 950885537 /nfs/dbraw/zinc/88/55/37/950885537.db2.gz GHUKIXZPNHDLCD-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573893453 950886707 /nfs/dbraw/zinc/88/67/07/950886707.db2.gz GQUXZWUJYRLWQP-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573893453 950886718 /nfs/dbraw/zinc/88/67/18/950886718.db2.gz GQUXZWUJYRLWQP-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573893596 950893419 /nfs/dbraw/zinc/89/34/19/950893419.db2.gz MPAKTNNAIZMUIC-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893596 950893435 /nfs/dbraw/zinc/89/34/35/950893435.db2.gz MPAKTNNAIZMUIC-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574189703 950896732 /nfs/dbraw/zinc/89/67/32/950896732.db2.gz QHXDSHPWQXKDPG-SFHVURJKSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574189703 950896747 /nfs/dbraw/zinc/89/67/47/950896747.db2.gz QHXDSHPWQXKDPG-SFHVURJKSA-N -1 1 388.476 0.931 20 0 GCADMM C[C@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768745 950902338 /nfs/dbraw/zinc/90/23/38/950902338.db2.gz WMLGFDJJMSBEHF-MRVPVSSYSA-N -1 1 386.445 0.380 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768919 950906789 /nfs/dbraw/zinc/90/67/89/950906789.db2.gz XPKBHIWWZNUXMO-SNVBAGLBSA-N -1 1 385.432 0.937 20 0 GCADMM CC(C)(C)n1ccc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001573893877 950910881 /nfs/dbraw/zinc/91/08/81/950910881.db2.gz AEQFAALRUJSXJZ-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1ccc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001573893877 950910905 /nfs/dbraw/zinc/91/09/05/950910905.db2.gz AEQFAALRUJSXJZ-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227471 950911695 /nfs/dbraw/zinc/91/16/95/950911695.db2.gz CYLDSVDZZWWEPJ-NEPJUHHUSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227471 950911708 /nfs/dbraw/zinc/91/17/08/950911708.db2.gz CYLDSVDZZWWEPJ-NEPJUHHUSA-N -1 1 390.423 0.824 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001573893953 950912132 /nfs/dbraw/zinc/91/21/32/950912132.db2.gz FGEVKYJDIJDBHQ-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001573893953 950912144 /nfs/dbraw/zinc/91/21/44/950912144.db2.gz FGEVKYJDIJDBHQ-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227548 950916361 /nfs/dbraw/zinc/91/63/61/950916361.db2.gz DSVSEJHXZOLCFK-RYUDHWBXSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227548 950916384 /nfs/dbraw/zinc/91/63/84/950916384.db2.gz DSVSEJHXZOLCFK-RYUDHWBXSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]n1 ZINC001575936518 950916976 /nfs/dbraw/zinc/91/69/76/950916976.db2.gz GBZDGHHTDMQEDR-PHDIDXHHSA-N -1 1 380.825 0.810 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573894034 950918892 /nfs/dbraw/zinc/91/88/92/950918892.db2.gz JPVPQNREAMMGMD-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573894034 950918903 /nfs/dbraw/zinc/91/89/03/950918903.db2.gz JPVPQNREAMMGMD-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001573894013 950919007 /nfs/dbraw/zinc/91/90/07/950919007.db2.gz ITSJZLKMOZXPMJ-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1ccc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001573894013 950919021 /nfs/dbraw/zinc/91/90/21/950919021.db2.gz ITSJZLKMOZXPMJ-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001573894007 950919102 /nfs/dbraw/zinc/91/91/02/950919102.db2.gz INZRTWXXAAIIBQ-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001573894007 950919117 /nfs/dbraw/zinc/91/91/17/950919117.db2.gz INZRTWXXAAIIBQ-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001573894144 950921718 /nfs/dbraw/zinc/92/17/18/950921718.db2.gz NLQYUDNPTXGIBF-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001573894144 950921732 /nfs/dbraw/zinc/92/17/32/950921732.db2.gz NLQYUDNPTXGIBF-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001573894475 950926837 /nfs/dbraw/zinc/92/68/37/950926837.db2.gz SMBFMXSWZXYZSS-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001573894475 950926849 /nfs/dbraw/zinc/92/68/49/950926849.db2.gz SMBFMXSWZXYZSS-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001573894499 950927804 /nfs/dbraw/zinc/92/78/04/950927804.db2.gz SQSBMTMDHFVLIB-LBPRGKRZSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001573894499 950927821 /nfs/dbraw/zinc/92/78/21/950927821.db2.gz SQSBMTMDHFVLIB-LBPRGKRZSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573894522 950931008 /nfs/dbraw/zinc/93/10/08/950931008.db2.gz UPEVJMRCSVBOGD-UHFFFAOYSA-N -1 1 382.432 0.405 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001573894661 950932892 /nfs/dbraw/zinc/93/28/92/950932892.db2.gz WUNXZQJDAKMSBV-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001573894661 950932911 /nfs/dbraw/zinc/93/29/11/950932911.db2.gz WUNXZQJDAKMSBV-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228141 950934578 /nfs/dbraw/zinc/93/45/78/950934578.db2.gz JFZFVGHBLYIQCE-WBMJQRKESA-N -1 1 390.451 0.752 20 0 GCADMM CC(C)CCCC(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574192734 950938776 /nfs/dbraw/zinc/93/87/76/950938776.db2.gz NGAUKUYRCYFVLT-UHFFFAOYSA-N -1 1 387.492 0.721 20 0 GCADMM CC(C)CCCC(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574192734 950938791 /nfs/dbraw/zinc/93/87/91/950938791.db2.gz NGAUKUYRCYFVLT-UHFFFAOYSA-N -1 1 387.492 0.721 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573896077 950942907 /nfs/dbraw/zinc/94/29/07/950942907.db2.gz FXLVPKFOCOMGKK-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573896077 950942925 /nfs/dbraw/zinc/94/29/25/950942925.db2.gz FXLVPKFOCOMGKK-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C1CC1 ZINC001573897245 950955174 /nfs/dbraw/zinc/95/51/74/950955174.db2.gz NJCRKFPASVCURC-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C1CC1 ZINC001573897245 950955197 /nfs/dbraw/zinc/95/51/97/950955197.db2.gz NJCRKFPASVCURC-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573898057 950969500 /nfs/dbraw/zinc/96/95/00/950969500.db2.gz VZPBGSWWTGFQAO-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573898057 950969506 /nfs/dbraw/zinc/96/95/06/950969506.db2.gz VZPBGSWWTGFQAO-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576230009 950983956 /nfs/dbraw/zinc/98/39/56/950983956.db2.gz KXXYJWPJTXKTQV-NEPJUHHUSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576230009 950983973 /nfs/dbraw/zinc/98/39/73/950983973.db2.gz KXXYJWPJTXKTQV-NEPJUHHUSA-N -1 1 390.423 0.682 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)CC(F)F ZINC001573899605 950985814 /nfs/dbraw/zinc/98/58/14/950985814.db2.gz HSSMFRIUUWRFIP-GHMZBOCLSA-N -1 1 396.402 0.394 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)CC(F)F ZINC001573899605 950985828 /nfs/dbraw/zinc/98/58/28/950985828.db2.gz HSSMFRIUUWRFIP-GHMZBOCLSA-N -1 1 396.402 0.394 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573899949 950988123 /nfs/dbraw/zinc/98/81/23/950988123.db2.gz LRJMAJHUCBUVDM-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573899949 950988137 /nfs/dbraw/zinc/98/81/37/950988137.db2.gz LRJMAJHUCBUVDM-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001575644688 950992532 /nfs/dbraw/zinc/99/25/32/950992532.db2.gz WKDIBYTUDNLTDK-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001575644688 950992554 /nfs/dbraw/zinc/99/25/54/950992554.db2.gz WKDIBYTUDNLTDK-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CC1 ZINC001573899987 950993721 /nfs/dbraw/zinc/99/37/21/950993721.db2.gz NVPXWEQDNVAQFD-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CC1 ZINC001573899987 950993734 /nfs/dbraw/zinc/99/37/34/950993734.db2.gz NVPXWEQDNVAQFD-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001575939025 951002613 /nfs/dbraw/zinc/00/26/13/951002613.db2.gz OEQQCVIXNQVTQR-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001575939025 951002631 /nfs/dbraw/zinc/00/26/31/951002631.db2.gz OEQQCVIXNQVTQR-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001575939016 951003605 /nfs/dbraw/zinc/00/36/05/951003605.db2.gz OEQQCVIXNQVTQR-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001575939016 951003619 /nfs/dbraw/zinc/00/36/19/951003619.db2.gz OEQQCVIXNQVTQR-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001575939109 951005787 /nfs/dbraw/zinc/00/57/87/951005787.db2.gz PAEILLRMZMTILC-STQMWFEESA-N -1 1 388.476 0.790 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1nccnc1-c1nnn[n-]1 ZINC001575023595 951081752 /nfs/dbraw/zinc/08/17/52/951081752.db2.gz OKXALIGNTAQWAZ-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1nccnc1-c1nn[n-]n1 ZINC001575023595 951081764 /nfs/dbraw/zinc/08/17/64/951081764.db2.gz OKXALIGNTAQWAZ-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024294 951099082 /nfs/dbraw/zinc/09/90/82/951099082.db2.gz AAOOUGOCBAMQRD-VIFPVBQESA-N -1 1 383.372 0.053 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024294 951099095 /nfs/dbraw/zinc/09/90/95/951099095.db2.gz AAOOUGOCBAMQRD-VIFPVBQESA-N -1 1 383.372 0.053 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024922 951120027 /nfs/dbraw/zinc/12/00/27/951120027.db2.gz PTTOHBOWNMVQOG-SNVBAGLBSA-N -1 1 382.384 0.080 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575025493 951130534 /nfs/dbraw/zinc/13/05/34/951130534.db2.gz ZPUPFZZIJNPYCD-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2cnccc2n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025794 951132377 /nfs/dbraw/zinc/13/23/77/951132377.db2.gz ANAKFIJDURGGEX-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2cnccc2n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025794 951132385 /nfs/dbraw/zinc/13/23/85/951132385.db2.gz ANAKFIJDURGGEX-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575026894 951148370 /nfs/dbraw/zinc/14/83/70/951148370.db2.gz NLZDBZFUOJADMS-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575026894 951148380 /nfs/dbraw/zinc/14/83/80/951148380.db2.gz NLZDBZFUOJADMS-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2n[nH]cc21)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027169 951152451 /nfs/dbraw/zinc/15/24/51/951152451.db2.gz CUTZAPUMAFWVDQ-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575028056 951167914 /nfs/dbraw/zinc/16/79/14/951167914.db2.gz TZCMCFGSOHGWAX-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575028056 951167917 /nfs/dbraw/zinc/16/79/17/951167917.db2.gz TZCMCFGSOHGWAX-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028181 951169664 /nfs/dbraw/zinc/16/96/64/951169664.db2.gz LXQSZIYLJKPIIR-MNOVXSKESA-N -1 1 380.412 0.632 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028182 951170599 /nfs/dbraw/zinc/17/05/99/951170599.db2.gz LXQSZIYLJKPIIR-QWRGUYRKSA-N -1 1 380.412 0.632 20 0 GCADMM C[C@H](CNC(=O)c1cccc2nccn21)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575028535 951175218 /nfs/dbraw/zinc/17/52/18/951175218.db2.gz NSNIIZQDBMANBS-NSHDSACASA-N -1 1 378.400 0.782 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029378 951187158 /nfs/dbraw/zinc/18/71/58/951187158.db2.gz TYCMNHMIVPPHAR-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029378 951187165 /nfs/dbraw/zinc/18/71/65/951187165.db2.gz TYCMNHMIVPPHAR-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCCO2)Nc1nccnc1-c1nnn[n-]1 ZINC001575030149 951193791 /nfs/dbraw/zinc/19/37/91/951193791.db2.gz ZXAUQWZAFVZQCJ-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCCO2)Nc1nccnc1-c1nn[n-]n1 ZINC001575030149 951193800 /nfs/dbraw/zinc/19/38/00/951193800.db2.gz ZXAUQWZAFVZQCJ-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575031795 951204071 /nfs/dbraw/zinc/20/40/71/951204071.db2.gz JCNICOROGFPFHE-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575031795 951204086 /nfs/dbraw/zinc/20/40/86/951204086.db2.gz JCNICOROGFPFHE-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575031817 951205015 /nfs/dbraw/zinc/20/50/15/951205015.db2.gz JOHCPJRVSATSAF-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575031817 951205026 /nfs/dbraw/zinc/20/50/26/951205026.db2.gz JOHCPJRVSATSAF-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnc2ccnn21)CNc1nccnc1-c1nnn[n-]1 ZINC001575034312 951245489 /nfs/dbraw/zinc/24/54/89/951245489.db2.gz LZFZSZQWSJKGFS-JTQLQIEISA-N -1 1 379.388 0.177 20 0 GCADMM C[C@H](CNC(=O)c1ccnc2ccnn21)CNc1nccnc1-c1nn[n-]n1 ZINC001575034312 951245505 /nfs/dbraw/zinc/24/55/05/951245505.db2.gz LZFZSZQWSJKGFS-JTQLQIEISA-N -1 1 379.388 0.177 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575034714 951253070 /nfs/dbraw/zinc/25/30/70/951253070.db2.gz CGIRULJANKGSEY-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575034714 951253084 /nfs/dbraw/zinc/25/30/84/951253084.db2.gz CGIRULJANKGSEY-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575035015 951263924 /nfs/dbraw/zinc/26/39/24/951263924.db2.gz SIROTZIXVIQKHG-NSHDSACASA-N -1 1 382.432 0.306 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575036000 951289735 /nfs/dbraw/zinc/28/97/35/951289735.db2.gz OKRNYGVXAZBXCM-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575036000 951289749 /nfs/dbraw/zinc/28/97/49/951289749.db2.gz OKRNYGVXAZBXCM-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C)n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575036451 951295235 /nfs/dbraw/zinc/29/52/35/951295235.db2.gz SCTKDYOAWZZMES-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C)n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575036451 951295244 /nfs/dbraw/zinc/29/52/44/951295244.db2.gz SCTKDYOAWZZMES-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])[nH]n1 ZINC001592094280 951297435 /nfs/dbraw/zinc/29/74/35/951297435.db2.gz KSZDNVNGAOKXGA-XCBNKYQSSA-N -1 1 378.307 0.545 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575036902 951302061 /nfs/dbraw/zinc/30/20/61/951302061.db2.gz YPPPADNOFBMWSG-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575036934 951303576 /nfs/dbraw/zinc/30/35/76/951303576.db2.gz YYSVYRHZYHNIGL-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575036934 951303583 /nfs/dbraw/zinc/30/35/83/951303583.db2.gz YYSVYRHZYHNIGL-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575036955 951303767 /nfs/dbraw/zinc/30/37/67/951303767.db2.gz ZCWHPJKMMNUIND-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575036955 951303779 /nfs/dbraw/zinc/30/37/79/951303779.db2.gz ZCWHPJKMMNUIND-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575036942 951305160 /nfs/dbraw/zinc/30/51/60/951305160.db2.gz ZAGYUZYRSHRDKS-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575036942 951305178 /nfs/dbraw/zinc/30/51/78/951305178.db2.gz ZAGYUZYRSHRDKS-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575041935 951353473 /nfs/dbraw/zinc/35/34/73/951353473.db2.gz CZSPMIVCUTVSDT-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575041935 951353484 /nfs/dbraw/zinc/35/34/84/951353484.db2.gz CZSPMIVCUTVSDT-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575042736 951369579 /nfs/dbraw/zinc/36/95/79/951369579.db2.gz BGSWAMSOHVJGOT-SNVBAGLBSA-N -1 1 382.432 0.975 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575042736 951369593 /nfs/dbraw/zinc/36/95/93/951369593.db2.gz BGSWAMSOHVJGOT-SNVBAGLBSA-N -1 1 382.432 0.975 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575042712 951370594 /nfs/dbraw/zinc/37/05/94/951370594.db2.gz BCWYKUIGARMBSF-GHMZBOCLSA-N -1 1 382.432 0.403 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575043074 951379204 /nfs/dbraw/zinc/37/92/04/951379204.db2.gz ODHFHRQHIBDWAJ-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575043074 951379216 /nfs/dbraw/zinc/37/92/16/951379216.db2.gz ODHFHRQHIBDWAJ-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001575043198 951383848 /nfs/dbraw/zinc/38/38/48/951383848.db2.gz GQJFYQKPDCNBRX-ONGXEEELSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001575043198 951383856 /nfs/dbraw/zinc/38/38/56/951383856.db2.gz GQJFYQKPDCNBRX-ONGXEEELSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575043439 951394376 /nfs/dbraw/zinc/39/43/76/951394376.db2.gz JFGOSNXJGSZOIL-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575043439 951394388 /nfs/dbraw/zinc/39/43/88/951394388.db2.gz JFGOSNXJGSZOIL-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575043508 951396888 /nfs/dbraw/zinc/39/68/88/951396888.db2.gz SHYSYMUPIKUBNA-JTQLQIEISA-N -1 1 382.432 0.310 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575043896 951405222 /nfs/dbraw/zinc/40/52/22/951405222.db2.gz MVBCFVUUTQZZMQ-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575043896 951405229 /nfs/dbraw/zinc/40/52/29/951405229.db2.gz MVBCFVUUTQZZMQ-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575044368 951413317 /nfs/dbraw/zinc/41/33/17/951413317.db2.gz ZGHVTAGRGVNQRB-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575044368 951413323 /nfs/dbraw/zinc/41/33/23/951413323.db2.gz ZGHVTAGRGVNQRB-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575044648 951417983 /nfs/dbraw/zinc/41/79/83/951417983.db2.gz UJMBLVKNGBAPPN-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575044648 951417990 /nfs/dbraw/zinc/41/79/90/951417990.db2.gz UJMBLVKNGBAPPN-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575044929 951421004 /nfs/dbraw/zinc/42/10/04/951421004.db2.gz XQPYJQOQNXONGS-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575044929 951421008 /nfs/dbraw/zinc/42/10/08/951421008.db2.gz XQPYJQOQNXONGS-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575045563 951428056 /nfs/dbraw/zinc/42/80/56/951428056.db2.gz DIKAYGXPQRVNRB-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575045563 951428065 /nfs/dbraw/zinc/42/80/65/951428065.db2.gz DIKAYGXPQRVNRB-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnc2nccnc2c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575045402 951428417 /nfs/dbraw/zinc/42/84/17/951428417.db2.gz BSDVZVCNFLUWNF-JTQLQIEISA-N -1 1 391.399 0.473 20 0 GCADMM C[C@H](CNC(=O)c1cnc2nccnc2c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575045402 951428422 /nfs/dbraw/zinc/42/84/22/951428422.db2.gz BSDVZVCNFLUWNF-JTQLQIEISA-N -1 1 391.399 0.473 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575045601 951429350 /nfs/dbraw/zinc/42/93/50/951429350.db2.gz FDRHZGSQFKSDND-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575045601 951429367 /nfs/dbraw/zinc/42/93/67/951429367.db2.gz FDRHZGSQFKSDND-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575045605 951431146 /nfs/dbraw/zinc/43/11/46/951431146.db2.gz FFOFFCAPLHJBKI-LLVKDONJSA-N -1 1 382.432 0.232 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575051963 951457242 /nfs/dbraw/zinc/45/72/42/951457242.db2.gz CCCMIRGPEMVTCV-YFKPBYRVSA-N -1 1 382.841 0.523 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575052148 951459613 /nfs/dbraw/zinc/45/96/13/951459613.db2.gz DWZHBNLNMQSZKK-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575052148 951459619 /nfs/dbraw/zinc/45/96/19/951459619.db2.gz DWZHBNLNMQSZKK-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575052192 951459729 /nfs/dbraw/zinc/45/97/29/951459729.db2.gz FTAOCJJOWOETOI-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575052192 951459732 /nfs/dbraw/zinc/45/97/32/951459732.db2.gz FTAOCJJOWOETOI-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052448 951463057 /nfs/dbraw/zinc/46/30/57/951463057.db2.gz JOKHOEHDUPQZOM-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052448 951463064 /nfs/dbraw/zinc/46/30/64/951463064.db2.gz JOKHOEHDUPQZOM-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575052526 951467190 /nfs/dbraw/zinc/46/71/90/951467190.db2.gz LABNENBIHVICJS-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575052526 951467195 /nfs/dbraw/zinc/46/71/95/951467195.db2.gz LABNENBIHVICJS-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575053284 951475727 /nfs/dbraw/zinc/47/57/27/951475727.db2.gz SCVLTSGTMCLKCQ-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575053652 951481033 /nfs/dbraw/zinc/48/10/33/951481033.db2.gz SXNSUMVJYPTZPT-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575053652 951481037 /nfs/dbraw/zinc/48/10/37/951481037.db2.gz SXNSUMVJYPTZPT-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575054118 951485905 /nfs/dbraw/zinc/48/59/05/951485905.db2.gz VTXGJJNRFWQKTD-MRVPVSSYSA-N -1 1 392.374 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575054125 951487367 /nfs/dbraw/zinc/48/73/67/951487367.db2.gz VWGOFUJWYQQFGZ-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnoc1-c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575054311 951492329 /nfs/dbraw/zinc/49/23/29/951492329.db2.gz IMTSJANSTRFLDU-LLVKDONJSA-N -1 1 391.395 0.964 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575054556 951494132 /nfs/dbraw/zinc/49/41/32/951494132.db2.gz YFEMFIQCAAEPNE-NSHDSACASA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575054556 951494140 /nfs/dbraw/zinc/49/41/40/951494140.db2.gz YFEMFIQCAAEPNE-NSHDSACASA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnn2ccncc12)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575055213 951499235 /nfs/dbraw/zinc/49/92/35/951499235.db2.gz OGDLRYIRKLJJDK-JTQLQIEISA-N -1 1 379.388 0.177 20 0 GCADMM C[C@H](CNC(=O)c1cnn2ccncc12)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575055213 951499245 /nfs/dbraw/zinc/49/92/45/951499245.db2.gz OGDLRYIRKLJJDK-JTQLQIEISA-N -1 1 379.388 0.177 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575060641 951542834 /nfs/dbraw/zinc/54/28/34/951542834.db2.gz BQLRUBJXIGJVCI-SNVBAGLBSA-N -1 1 382.432 0.737 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575060672 951544893 /nfs/dbraw/zinc/54/48/93/951544893.db2.gz CPVFHZUAHDXJLT-JTQLQIEISA-N -1 1 382.432 0.513 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575060672 951544899 /nfs/dbraw/zinc/54/48/99/951544899.db2.gz CPVFHZUAHDXJLT-JTQLQIEISA-N -1 1 382.432 0.513 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575062470 951569054 /nfs/dbraw/zinc/56/90/54/951569054.db2.gz WLTJXRBIELBGKI-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575062470 951569070 /nfs/dbraw/zinc/56/90/70/951569070.db2.gz WLTJXRBIELBGKI-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575062857 951573758 /nfs/dbraw/zinc/57/37/58/951573758.db2.gz ZRAQOVFVBGJYSO-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575062857 951573766 /nfs/dbraw/zinc/57/37/66/951573766.db2.gz ZRAQOVFVBGJYSO-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575064583 951574307 /nfs/dbraw/zinc/57/43/07/951574307.db2.gz AAJWJSICRGUCLY-ZCFIWIBFSA-N -1 1 383.294 0.316 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575064753 951576907 /nfs/dbraw/zinc/57/69/07/951576907.db2.gz CVXLPQFTXUVJIE-UWVGGRQHSA-N -1 1 385.388 0.149 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575064666 951577365 /nfs/dbraw/zinc/57/73/65/951577365.db2.gz CCVYDSGPKGZQAE-MWLCHTKSSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575064666 951577376 /nfs/dbraw/zinc/57/73/76/951577376.db2.gz CCVYDSGPKGZQAE-MWLCHTKSSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575065493 951587612 /nfs/dbraw/zinc/58/76/12/951587612.db2.gz HRFVNUDRSUHZDU-SNVBAGLBSA-N -1 1 384.400 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575065493 951587623 /nfs/dbraw/zinc/58/76/23/951587623.db2.gz HRFVNUDRSUHZDU-SNVBAGLBSA-N -1 1 384.400 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1nncc2ccccc21)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575065837 951590392 /nfs/dbraw/zinc/59/03/92/951590392.db2.gz IWHCHQFQEJVHBK-NSHDSACASA-N -1 1 390.411 0.855 20 0 GCADMM C[C@@H](CNC(=O)c1nncc2ccccc21)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575065837 951590402 /nfs/dbraw/zinc/59/04/02/951590402.db2.gz IWHCHQFQEJVHBK-NSHDSACASA-N -1 1 390.411 0.855 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575066005 951591722 /nfs/dbraw/zinc/59/17/22/951591722.db2.gz JNAVLELSHVHTOT-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575066005 951591729 /nfs/dbraw/zinc/59/17/29/951591729.db2.gz JNAVLELSHVHTOT-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575066333 951595343 /nfs/dbraw/zinc/59/53/43/951595343.db2.gz KBHARFBTPZXVFH-JTQLQIEISA-N -1 1 384.400 0.800 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575066333 951595352 /nfs/dbraw/zinc/59/53/52/951595352.db2.gz KBHARFBTPZXVFH-JTQLQIEISA-N -1 1 384.400 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575066849 951600211 /nfs/dbraw/zinc/60/02/11/951600211.db2.gz MZKDXNGNQAHBAX-SECBINFHSA-N -1 1 385.457 0.891 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575066939 951602668 /nfs/dbraw/zinc/60/26/68/951602668.db2.gz NUKAZVZTQMEPSY-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575067746 951621670 /nfs/dbraw/zinc/62/16/70/951621670.db2.gz XOAMOLAPNXYYMZ-GXSJLCMTSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575067746 951621677 /nfs/dbraw/zinc/62/16/77/951621677.db2.gz XOAMOLAPNXYYMZ-GXSJLCMTSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067903 951625154 /nfs/dbraw/zinc/62/51/54/951625154.db2.gz RJMJVBUXUBOEAO-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067903 951625160 /nfs/dbraw/zinc/62/51/60/951625160.db2.gz RJMJVBUXUBOEAO-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068294 951634304 /nfs/dbraw/zinc/63/43/04/951634304.db2.gz ZMYDLQGTSGWUNL-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068294 951634310 /nfs/dbraw/zinc/63/43/10/951634310.db2.gz ZMYDLQGTSGWUNL-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575071197 951657167 /nfs/dbraw/zinc/65/71/67/951657167.db2.gz YDRPNJMVRAHTLY-MRVPVSSYSA-N -1 1 386.445 0.286 20 0 GCADMM O=C([O-])CN1CCC[C@@H](C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)C1=O ZINC001595082957 951703815 /nfs/dbraw/zinc/70/38/15/951703815.db2.gz IGTPWBBDTRSEEI-HZPDHXFCSA-N -1 1 377.416 0.492 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)c2ncc(Br)cc2O)C1=O ZINC001595097093 951826584 /nfs/dbraw/zinc/82/65/84/951826584.db2.gz VTJPLEYTCSOFGK-VIFPVBQESA-N -1 1 386.202 0.745 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NC(=O)c2ncc(Br)cc2O)C1=O ZINC001595097091 951826765 /nfs/dbraw/zinc/82/67/65/951826765.db2.gz VTJPLEYTCSOFGK-SECBINFHSA-N -1 1 386.202 0.745 20 0 GCADMM O=C([O-])COCC(=O)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 ZINC001595105370 951874939 /nfs/dbraw/zinc/87/49/39/951874939.db2.gz BCJIYJJWBFZECH-UHFFFAOYSA-N -1 1 392.393 0.268 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575132098 952090663 /nfs/dbraw/zinc/09/06/63/952090663.db2.gz CICNSTZDHQNTLK-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575132098 952090667 /nfs/dbraw/zinc/09/06/67/952090667.db2.gz CICNSTZDHQNTLK-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)Nc2ccc3[nH]nnc3c2)C1 ZINC001602891589 971801870 /nfs/dbraw/zinc/80/18/70/971801870.db2.gz AYVGZCKSYWIDDZ-QGZVFWFLSA-N -1 1 391.384 0.987 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575134130 952109562 /nfs/dbraw/zinc/10/95/62/952109562.db2.gz MITAWMXKYBSREJ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575134645 952112821 /nfs/dbraw/zinc/11/28/21/952112821.db2.gz NRZHKJVEDSZWOX-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575134645 952112823 /nfs/dbraw/zinc/11/28/23/952112823.db2.gz NRZHKJVEDSZWOX-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575134995 952114218 /nfs/dbraw/zinc/11/42/18/952114218.db2.gz JJEIDTZKLYXRIC-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575134995 952114228 /nfs/dbraw/zinc/11/42/28/952114228.db2.gz JJEIDTZKLYXRIC-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575135567 952118853 /nfs/dbraw/zinc/11/88/53/952118853.db2.gz LKHSQBFXIRHJLW-KZULUSFZSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575135616 952118878 /nfs/dbraw/zinc/11/88/78/952118878.db2.gz MGNKFWJHLZNROR-BONVTDFDSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575135614 952120076 /nfs/dbraw/zinc/12/00/76/952120076.db2.gz MGNKFWJHLZNROR-BMIGLBTASA-N -1 1 378.387 0.821 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575136331 952124694 /nfs/dbraw/zinc/12/46/94/952124694.db2.gz ONWRDUBFLOJVRX-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575136331 952124697 /nfs/dbraw/zinc/12/46/97/952124697.db2.gz ONWRDUBFLOJVRX-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575136762 952128255 /nfs/dbraw/zinc/12/82/55/952128255.db2.gz WNIMSIZOZZDKLW-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575136762 952128259 /nfs/dbraw/zinc/12/82/59/952128259.db2.gz WNIMSIZOZZDKLW-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575136955 952130710 /nfs/dbraw/zinc/13/07/10/952130710.db2.gz YHACZQUKVIOXNV-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575136955 952130714 /nfs/dbraw/zinc/13/07/14/952130714.db2.gz YHACZQUKVIOXNV-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575137135 952134630 /nfs/dbraw/zinc/13/46/30/952134630.db2.gz UXMMDVWNVKIICP-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575137135 952134637 /nfs/dbraw/zinc/13/46/37/952134637.db2.gz UXMMDVWNVKIICP-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575137250 952135598 /nfs/dbraw/zinc/13/55/98/952135598.db2.gz VWMMAXDJGFZYNA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575137250 952135603 /nfs/dbraw/zinc/13/56/03/952135603.db2.gz VWMMAXDJGFZYNA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575137437 952138587 /nfs/dbraw/zinc/13/85/87/952138587.db2.gz ZFDOCBSZNXLFHA-KPZWWZAWSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575137439 952139460 /nfs/dbraw/zinc/13/94/60/952139460.db2.gz ZFDOCBSZNXLFHA-SGTLLEGYSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575140622 952142670 /nfs/dbraw/zinc/14/26/70/952142670.db2.gz DZGUSGMRYKLGTG-VIFPVBQESA-N -1 1 392.374 0.172 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575140713 952143679 /nfs/dbraw/zinc/14/36/79/952143679.db2.gz FMKWVGKUOUNXOP-SDFXEEBMSA-N -1 1 384.444 0.343 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575142708 952147780 /nfs/dbraw/zinc/14/77/80/952147780.db2.gz LBNHECDIYLZWKJ-SFHVURJKSA-N -1 1 380.412 0.795 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575142780 952148205 /nfs/dbraw/zinc/14/82/05/952148205.db2.gz LQAQKMKOJNOGAZ-OAHLLOKOSA-N -1 1 389.807 0.731 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575142726 952148394 /nfs/dbraw/zinc/14/83/94/952148394.db2.gz LESOBEQOOHVWBP-OLZOCXBDSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575143651 952156624 /nfs/dbraw/zinc/15/66/24/952156624.db2.gz QKSVFAALTHAVPS-QGZVFWFLSA-N -1 1 381.400 0.190 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575143657 952156713 /nfs/dbraw/zinc/15/67/13/952156713.db2.gz QPXTUNOINXKLGR-LBPRGKRZSA-N -1 1 378.440 0.752 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575143794 952157409 /nfs/dbraw/zinc/15/74/09/952157409.db2.gz RVRXGPUXBRKLRV-SNVBAGLBSA-N -1 1 388.382 0.858 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575143804 952157526 /nfs/dbraw/zinc/15/75/26/952157526.db2.gz RYUYNYINKCIZPW-JTQLQIEISA-N -1 1 388.382 0.858 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575143807 952157708 /nfs/dbraw/zinc/15/77/08/952157708.db2.gz RYUYNYINKCIZPW-SNVBAGLBSA-N -1 1 388.382 0.858 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575143916 952159488 /nfs/dbraw/zinc/15/94/88/952159488.db2.gz DQDUMNWGWPXQIF-LLVKDONJSA-N -1 1 381.444 0.858 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575143884 952159800 /nfs/dbraw/zinc/15/98/00/952159800.db2.gz DIXXYIWISRKLGG-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575143996 952160812 /nfs/dbraw/zinc/16/08/12/952160812.db2.gz FFCRNLGHPKLELP-SNVBAGLBSA-N -1 1 380.416 0.319 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575144102 952162676 /nfs/dbraw/zinc/16/26/76/952162676.db2.gz GCJLZQPPBFMWAW-LBPRGKRZSA-N -1 1 381.444 0.717 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575144172 952162687 /nfs/dbraw/zinc/16/26/87/952162687.db2.gz GWLYRURQIAVSHU-JTQLQIEISA-N -1 1 384.400 0.317 20 0 GCADMM O=C([O-])Cn1cccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)c1=O ZINC001595155769 952166414 /nfs/dbraw/zinc/16/64/14/952166414.db2.gz WLEIDYRIBJPYFW-UHFFFAOYSA-N -1 1 391.468 0.945 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575144586 952167767 /nfs/dbraw/zinc/16/77/67/952167767.db2.gz JDDRIZUFRNGGJO-NSHDSACASA-N -1 1 380.412 0.586 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575144612 952169471 /nfs/dbraw/zinc/16/94/71/952169471.db2.gz JNBWVMYLVLCXRN-SSDOTTSWSA-N -1 1 378.347 0.312 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575144655 952169512 /nfs/dbraw/zinc/16/95/12/952169512.db2.gz XCUKPVCFHHOHGC-FPMFFAJLSA-N -1 1 386.460 0.400 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575144619 952169575 /nfs/dbraw/zinc/16/95/75/952169575.db2.gz JPHVADIAWCKDKW-QMMMGPOBSA-N -1 1 378.347 0.243 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2nonc2c1 ZINC001575144794 952172806 /nfs/dbraw/zinc/17/28/06/952172806.db2.gz LOZJMHZGZUAWFA-VIFPVBQESA-N -1 1 380.372 0.187 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575144892 952173169 /nfs/dbraw/zinc/17/31/69/952173169.db2.gz NESRIFQAPVHLAX-SNVBAGLBSA-N -1 1 383.416 0.518 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575144880 952174182 /nfs/dbraw/zinc/17/41/82/952174182.db2.gz YXGHGIFCVOWTRX-SNVBAGLBSA-N -1 1 388.382 0.858 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575144952 952175311 /nfs/dbraw/zinc/17/53/11/952175311.db2.gz ZOOBWPJMIUJFBD-IINYFYTJSA-N -1 1 382.403 0.816 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575145084 952176817 /nfs/dbraw/zinc/17/68/17/952176817.db2.gz PILMDYNJLFREKM-NSHDSACASA-N -1 1 379.428 0.924 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575145104 952179059 /nfs/dbraw/zinc/17/90/59/952179059.db2.gz PYXGBKUFWJANQK-NSHDSACASA-N -1 1 382.432 0.573 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575145389 952183231 /nfs/dbraw/zinc/18/32/31/952183231.db2.gz WXYZBHWXENFMHW-LLVKDONJSA-N -1 1 382.432 0.184 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575145357 952183540 /nfs/dbraw/zinc/18/35/40/952183540.db2.gz WGPFVPGYUAWUNM-SECBINFHSA-N -1 1 375.824 0.643 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC2(CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)C1 ZINC001602893448 971811081 /nfs/dbraw/zinc/81/10/81/971811081.db2.gz WVWXBJHPDSMPMO-AWEZNQCLSA-N -1 1 397.472 0.774 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575146202 952191372 /nfs/dbraw/zinc/19/13/72/952191372.db2.gz HYDYAFUUNGPNSB-CVEARBPZSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575146202 952191380 /nfs/dbraw/zinc/19/13/80/952191380.db2.gz HYDYAFUUNGPNSB-CVEARBPZSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c(F)cncc1F ZINC001575153187 952206409 /nfs/dbraw/zinc/20/64/09/952206409.db2.gz DUDLDIJAFAFASL-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c(F)cncc1F ZINC001575153187 952206414 /nfs/dbraw/zinc/20/64/14/952206414.db2.gz DUDLDIJAFAFASL-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c(F)cncc1F ZINC001575153189 952206534 /nfs/dbraw/zinc/20/65/34/952206534.db2.gz DUDLDIJAFAFASL-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c(F)cncc1F ZINC001575153189 952206539 /nfs/dbraw/zinc/20/65/39/952206539.db2.gz DUDLDIJAFAFASL-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCOCC(F)(F)F ZINC001575153311 952208768 /nfs/dbraw/zinc/20/87/68/952208768.db2.gz GHNBMVNGLFCFBI-VIFPVBQESA-N -1 1 388.354 0.885 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCOCC(F)(F)F ZINC001575153311 952208773 /nfs/dbraw/zinc/20/87/73/952208773.db2.gz GHNBMVNGLFCFBI-VIFPVBQESA-N -1 1 388.354 0.885 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575153612 952211793 /nfs/dbraw/zinc/21/17/93/952211793.db2.gz IUSLZDPWAUMSFQ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575153612 952211797 /nfs/dbraw/zinc/21/17/97/952211797.db2.gz IUSLZDPWAUMSFQ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575153902 952213472 /nfs/dbraw/zinc/21/34/72/952213472.db2.gz LXPCWWKKEMMGAS-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575153902 952213475 /nfs/dbraw/zinc/21/34/75/952213475.db2.gz LXPCWWKKEMMGAS-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575153805 952213651 /nfs/dbraw/zinc/21/36/51/952213651.db2.gz LBNREGRNMUIVAT-KRWDZBQOSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575153805 952213656 /nfs/dbraw/zinc/21/36/56/952213656.db2.gz LBNREGRNMUIVAT-KRWDZBQOSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575153997 952215051 /nfs/dbraw/zinc/21/50/51/952215051.db2.gz NEYGGCAUZZYOKZ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575153997 952215053 /nfs/dbraw/zinc/21/50/53/952215053.db2.gz NEYGGCAUZZYOKZ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1ccc(N2CCC[NH+]=C2[O-])cc1 ZINC001595169120 952217084 /nfs/dbraw/zinc/21/70/84/952217084.db2.gz BPDLLWVXDQEHAM-AWEZNQCLSA-N -1 1 382.442 0.490 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575154174 952218423 /nfs/dbraw/zinc/21/84/23/952218423.db2.gz PNJIDGYBONOFFE-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575154912 952231601 /nfs/dbraw/zinc/23/16/01/952231601.db2.gz IGYIVTCQBFLFFP-OAHLLOKOSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575154912 952231609 /nfs/dbraw/zinc/23/16/09/952231609.db2.gz IGYIVTCQBFLFFP-OAHLLOKOSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575155181 952237441 /nfs/dbraw/zinc/23/74/41/952237441.db2.gz XJDDQMVYCVDQIE-GOSISDBHSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575155181 952237447 /nfs/dbraw/zinc/23/74/47/952237447.db2.gz XJDDQMVYCVDQIE-GOSISDBHSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575155590 952242300 /nfs/dbraw/zinc/24/23/00/952242300.db2.gz OCMBVOZTCHYMLH-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575155590 952242308 /nfs/dbraw/zinc/24/23/08/952242308.db2.gz OCMBVOZTCHYMLH-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575155551 952242523 /nfs/dbraw/zinc/24/25/23/952242523.db2.gz NCRDTWDGGDDKHJ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575155551 952242532 /nfs/dbraw/zinc/24/25/32/952242532.db2.gz NCRDTWDGGDDKHJ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575155552 952242564 /nfs/dbraw/zinc/24/25/64/952242564.db2.gz NCRDTWDGGDDKHJ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575155552 952242573 /nfs/dbraw/zinc/24/25/73/952242573.db2.gz NCRDTWDGGDDKHJ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575155642 952243043 /nfs/dbraw/zinc/24/30/43/952243043.db2.gz OUQYVDHFGVCGTM-HOTGVXAUSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575155642 952243048 /nfs/dbraw/zinc/24/30/48/952243048.db2.gz OUQYVDHFGVCGTM-HOTGVXAUSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575155646 952243519 /nfs/dbraw/zinc/24/35/19/952243519.db2.gz OUQYVDHFGVCGTM-JKSUJKDBSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575155646 952243525 /nfs/dbraw/zinc/24/35/25/952243525.db2.gz OUQYVDHFGVCGTM-JKSUJKDBSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575155728 952243806 /nfs/dbraw/zinc/24/38/06/952243806.db2.gz OYKUFUPERNOQMO-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575155728 952243815 /nfs/dbraw/zinc/24/38/15/952243815.db2.gz OYKUFUPERNOQMO-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575156022 952247731 /nfs/dbraw/zinc/24/77/31/952247731.db2.gz BMHFNBKJJMMJOR-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575156022 952247733 /nfs/dbraw/zinc/24/77/33/952247733.db2.gz BMHFNBKJJMMJOR-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575156194 952249086 /nfs/dbraw/zinc/24/90/86/952249086.db2.gz DLCYNTOGTMQOBU-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575156194 952249090 /nfs/dbraw/zinc/24/90/90/952249090.db2.gz DLCYNTOGTMQOBU-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575156299 952252222 /nfs/dbraw/zinc/25/22/22/952252222.db2.gz SPPBWHGYEOAFPB-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575156299 952252227 /nfs/dbraw/zinc/25/22/27/952252227.db2.gz SPPBWHGYEOAFPB-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575156580 952255445 /nfs/dbraw/zinc/25/54/45/952255445.db2.gz VDKRVIMNAONFBH-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575156580 952255454 /nfs/dbraw/zinc/25/54/54/952255454.db2.gz VDKRVIMNAONFBH-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575157315 952263345 /nfs/dbraw/zinc/26/33/45/952263345.db2.gz LDLOMJPEYFVNLA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575157315 952263352 /nfs/dbraw/zinc/26/33/52/952263352.db2.gz LDLOMJPEYFVNLA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575157416 952265121 /nfs/dbraw/zinc/26/51/21/952265121.db2.gz MXXNHTQZKPHSLU-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575157416 952265128 /nfs/dbraw/zinc/26/51/28/952265128.db2.gz MXXNHTQZKPHSLU-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575157947 952268011 /nfs/dbraw/zinc/26/80/11/952268011.db2.gz QKIIQQSKQATFPX-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575157947 952268015 /nfs/dbraw/zinc/26/80/15/952268015.db2.gz QKIIQQSKQATFPX-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575158275 952270435 /nfs/dbraw/zinc/27/04/35/952270435.db2.gz SJLDAZDEPALBJT-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575158275 952270440 /nfs/dbraw/zinc/27/04/40/952270440.db2.gz SJLDAZDEPALBJT-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575158269 952270538 /nfs/dbraw/zinc/27/05/38/952270538.db2.gz SHQGVWYDVPMLGF-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575158269 952270542 /nfs/dbraw/zinc/27/05/42/952270542.db2.gz SHQGVWYDVPMLGF-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575158414 952271423 /nfs/dbraw/zinc/27/14/23/952271423.db2.gz VBABAPAKWZPDBE-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575158414 952271427 /nfs/dbraw/zinc/27/14/27/952271427.db2.gz VBABAPAKWZPDBE-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575158430 952271583 /nfs/dbraw/zinc/27/15/83/952271583.db2.gz VFSWMTFOMJCXBO-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575158430 952271588 /nfs/dbraw/zinc/27/15/88/952271588.db2.gz VFSWMTFOMJCXBO-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575158407 952272141 /nfs/dbraw/zinc/27/21/41/952272141.db2.gz UVALAGSIKXAFMA-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575158407 952272148 /nfs/dbraw/zinc/27/21/48/952272148.db2.gz UVALAGSIKXAFMA-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@](CNc1nc(-c2nn[n-]n2)c(Cl)s1)(NC(=O)CC(N)=O)C1CC1 ZINC001575164251 952289651 /nfs/dbraw/zinc/28/96/51/952289651.db2.gz CKWTUPLRFGPBNH-ZDUSSCGKSA-N -1 1 384.853 0.549 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cn1cncn1 ZINC001575166761 952327538 /nfs/dbraw/zinc/32/75/38/952327538.db2.gz YMJRMHHDZIQMIV-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cn1cncn1 ZINC001575166760 952328743 /nfs/dbraw/zinc/32/87/43/952328743.db2.gz YMJRMHHDZIQMIV-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575173908 952359966 /nfs/dbraw/zinc/35/99/66/952359966.db2.gz CUQAHYGOLJSVMC-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575173908 952359976 /nfs/dbraw/zinc/35/99/76/952359976.db2.gz CUQAHYGOLJSVMC-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575174458 952372964 /nfs/dbraw/zinc/37/29/64/952372964.db2.gz OPFDLRWFGBNACE-KRWDZBQOSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575174458 952372970 /nfs/dbraw/zinc/37/29/70/952372970.db2.gz OPFDLRWFGBNACE-KRWDZBQOSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575174466 952373632 /nfs/dbraw/zinc/37/36/32/952373632.db2.gz ORYOYFDGWJATGD-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575174466 952373642 /nfs/dbraw/zinc/37/36/42/952373642.db2.gz ORYOYFDGWJATGD-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1nnc[nH]1 ZINC001575174646 952377293 /nfs/dbraw/zinc/37/72/93/952377293.db2.gz BOZGJURPSXUVOI-LURJTMIESA-N -1 1 382.841 0.596 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575174738 952377978 /nfs/dbraw/zinc/37/79/78/952377978.db2.gz RVAYHLHTTGJVOG-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575174738 952377984 /nfs/dbraw/zinc/37/79/84/952377984.db2.gz RVAYHLHTTGJVOG-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575174891 952379774 /nfs/dbraw/zinc/37/97/74/952379774.db2.gz TVIWIDDITORYCS-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575174891 952379782 /nfs/dbraw/zinc/37/97/82/952379782.db2.gz TVIWIDDITORYCS-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575174894 952380715 /nfs/dbraw/zinc/38/07/15/952380715.db2.gz TVIWIDDITORYCS-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575174894 952380721 /nfs/dbraw/zinc/38/07/21/952380721.db2.gz TVIWIDDITORYCS-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnc2[nH]cnc21 ZINC001575176449 952393800 /nfs/dbraw/zinc/39/38/00/952393800.db2.gz DIWMRIRNLCHHKG-SECBINFHSA-N -1 1 379.388 0.501 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnc2[nH]cnc21 ZINC001575176449 952393806 /nfs/dbraw/zinc/39/38/06/952393806.db2.gz DIWMRIRNLCHHKG-SECBINFHSA-N -1 1 379.388 0.501 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575176555 952394574 /nfs/dbraw/zinc/39/45/74/952394574.db2.gz DSFPYCLDOZNLDD-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575176555 952394578 /nfs/dbraw/zinc/39/45/78/952394578.db2.gz DSFPYCLDOZNLDD-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575177705 952402526 /nfs/dbraw/zinc/40/25/26/952402526.db2.gz JBUYRIWIZSQBIH-ZETCQYMHSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575177705 952402529 /nfs/dbraw/zinc/40/25/29/952402529.db2.gz JBUYRIWIZSQBIH-ZETCQYMHSA-N -1 1 378.347 0.890 20 0 GCADMM CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC001602903107 971830566 /nfs/dbraw/zinc/83/05/66/971830566.db2.gz LHQUDJFZTURRDP-LSDHHAIUSA-N -1 1 399.488 0.972 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575178750 952407319 /nfs/dbraw/zinc/40/73/19/952407319.db2.gz MGNLEJCEBDNIAS-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575178750 952407325 /nfs/dbraw/zinc/40/73/25/952407325.db2.gz MGNLEJCEBDNIAS-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575178756 952408120 /nfs/dbraw/zinc/40/81/20/952408120.db2.gz MNJHCPUBIJMRMY-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575178756 952408124 /nfs/dbraw/zinc/40/81/24/952408124.db2.gz MNJHCPUBIJMRMY-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575178873 952409359 /nfs/dbraw/zinc/40/93/59/952409359.db2.gz OKVHFQKGDNITKR-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575178873 952409363 /nfs/dbraw/zinc/40/93/63/952409363.db2.gz OKVHFQKGDNITKR-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575178841 952409401 /nfs/dbraw/zinc/40/94/01/952409401.db2.gz OBZPIZWCXQTHIA-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575178841 952409404 /nfs/dbraw/zinc/40/94/04/952409404.db2.gz OBZPIZWCXQTHIA-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575179522 952411872 /nfs/dbraw/zinc/41/18/72/952411872.db2.gz PYAKSFDDUUCWBN-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575179522 952411876 /nfs/dbraw/zinc/41/18/76/952411876.db2.gz PYAKSFDDUUCWBN-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575180231 952417084 /nfs/dbraw/zinc/41/70/84/952417084.db2.gz UEYDWFAXRPVXDW-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575180231 952417087 /nfs/dbraw/zinc/41/70/87/952417087.db2.gz UEYDWFAXRPVXDW-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575180513 952417841 /nfs/dbraw/zinc/41/78/41/952417841.db2.gz VCEQBZBXOMZVAA-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575180513 952417846 /nfs/dbraw/zinc/41/78/46/952417846.db2.gz VCEQBZBXOMZVAA-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CC1 ZINC001575185254 952430401 /nfs/dbraw/zinc/43/04/01/952430401.db2.gz OAKNFCOUGYQDFJ-NWDGAFQWSA-N -1 1 392.489 0.543 20 0 GCADMM C[C@@H](CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CC1 ZINC001575185254 952430404 /nfs/dbraw/zinc/43/04/04/952430404.db2.gz OAKNFCOUGYQDFJ-NWDGAFQWSA-N -1 1 392.489 0.543 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575187466 952441220 /nfs/dbraw/zinc/44/12/20/952441220.db2.gz BSOLOKCTGLGXRY-HIFPTAJRSA-N -1 1 382.428 0.952 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575187896 952443520 /nfs/dbraw/zinc/44/35/20/952443520.db2.gz FEDHJOGXXAWMLE-LBPRGKRZSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575187896 952443524 /nfs/dbraw/zinc/44/35/24/952443524.db2.gz FEDHJOGXXAWMLE-LBPRGKRZSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575188048 952446540 /nfs/dbraw/zinc/44/65/40/952446540.db2.gz GVIFDNPJRVQDQN-GFCCVEGCSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575188048 952446544 /nfs/dbraw/zinc/44/65/44/952446544.db2.gz GVIFDNPJRVQDQN-GFCCVEGCSA-N -1 1 386.416 0.361 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(CC(F)F)C1CCS(=O)(=O)CC1 ZINC001571114165 952450594 /nfs/dbraw/zinc/45/05/94/952450594.db2.gz CJORQCQFXIZWGT-UHFFFAOYSA-N -1 1 375.357 0.744 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(CC(F)F)C1CCS(=O)(=O)CC1 ZINC001571114165 952450598 /nfs/dbraw/zinc/45/05/98/952450598.db2.gz CJORQCQFXIZWGT-UHFFFAOYSA-N -1 1 375.357 0.744 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575189340 952456244 /nfs/dbraw/zinc/45/62/44/952456244.db2.gz NMTLQROAMRQIQM-RYUDHWBXSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575189340 952456249 /nfs/dbraw/zinc/45/62/49/952456249.db2.gz NMTLQROAMRQIQM-RYUDHWBXSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccsc1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571116931 952479222 /nfs/dbraw/zinc/47/92/22/952479222.db2.gz FUNVOJRMZOLFIA-SECBINFHSA-N -1 1 375.414 0.328 20 0 GCADMM Cc1nsc(N2CCC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)c1-c1nn[n-]n1 ZINC001571117348 952480748 /nfs/dbraw/zinc/48/07/48/952480748.db2.gz JTIWOJWLWMAAGS-PJXYFTJBSA-N -1 1 375.458 0.609 20 0 GCADMM CS(=O)(=O)CC[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1 ZINC001571117524 952482137 /nfs/dbraw/zinc/48/21/37/952482137.db2.gz MBZFAYKWMJNJIB-NSHDSACASA-N -1 1 375.414 0.747 20 0 GCADMM CC[C@H](C)[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(N)=O ZINC001571117532 952482172 /nfs/dbraw/zinc/48/21/72/952482172.db2.gz MHTLROCKONIVFY-RTHLEPHNSA-N -1 1 375.433 0.533 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CC[C@@H](CO)[C@@H]3C)CC2)o1 ZINC001571118390 952487865 /nfs/dbraw/zinc/48/78/65/952487865.db2.gz WTSLBPUUVDCNIQ-GWCFXTLKSA-N -1 1 375.433 0.609 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(C(F)F)n[nH]1 ZINC001571119364 952490593 /nfs/dbraw/zinc/49/05/93/952490593.db2.gz ADNYZWPTYYOPKY-SSDOTTSWSA-N -1 1 376.331 0.326 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(C(F)F)n[nH]1 ZINC001571119364 952490598 /nfs/dbraw/zinc/49/05/98/952490598.db2.gz ADNYZWPTYYOPKY-SSDOTTSWSA-N -1 1 376.331 0.326 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575199996 952491411 /nfs/dbraw/zinc/49/14/11/952491411.db2.gz GNDVAQQBNLKZTI-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575199996 952491414 /nfs/dbraw/zinc/49/14/14/952491414.db2.gz GNDVAQQBNLKZTI-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM CC(C)C(NC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)C(C)C ZINC001571119617 952493818 /nfs/dbraw/zinc/49/38/18/952493818.db2.gz DMEBXSCCLOZKCI-UHFFFAOYSA-N -1 1 376.421 0.376 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC001571119790 952495608 /nfs/dbraw/zinc/49/56/08/952495608.db2.gz FPQPBLJJHGXOLC-ZYHUDNBSSA-N -1 1 376.421 0.747 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC001571119790 952495612 /nfs/dbraw/zinc/49/56/12/952495612.db2.gz FPQPBLJJHGXOLC-ZYHUDNBSSA-N -1 1 376.421 0.747 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571120423 952503986 /nfs/dbraw/zinc/50/39/86/952503986.db2.gz LFTJAOHYCUXOOL-SFYZADRCSA-N -1 1 375.780 0.695 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571120423 952503990 /nfs/dbraw/zinc/50/39/90/952503990.db2.gz LFTJAOHYCUXOOL-SFYZADRCSA-N -1 1 375.780 0.695 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccn(C(F)F)n1 ZINC001571120478 952504109 /nfs/dbraw/zinc/50/41/09/952504109.db2.gz LYGGAMKMNFKOPQ-MRVPVSSYSA-N -1 1 376.331 0.257 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccn(C(F)F)n1 ZINC001571120478 952504111 /nfs/dbraw/zinc/50/41/11/952504111.db2.gz LYGGAMKMNFKOPQ-MRVPVSSYSA-N -1 1 376.331 0.257 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571120529 952504984 /nfs/dbraw/zinc/50/49/84/952504984.db2.gz MZGPXOGVOSPITQ-DLOVCJGASA-N -1 1 376.371 0.882 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571120529 952504989 /nfs/dbraw/zinc/50/49/89/952504989.db2.gz MZGPXOGVOSPITQ-DLOVCJGASA-N -1 1 376.371 0.882 20 0 GCADMM CCN(C)C(=O)[C@@H](NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)C(C)C ZINC001571120652 952506854 /nfs/dbraw/zinc/50/68/54/952506854.db2.gz OVCHCVUNXYWOAZ-LBPRGKRZSA-N -1 1 376.421 0.895 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC001571121065 952514454 /nfs/dbraw/zinc/51/44/54/952514454.db2.gz VVDFRJCUZBETCB-DGCLKSJQSA-N -1 1 376.417 0.125 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1-c1nnn[n-]1 ZINC001571121108 952514744 /nfs/dbraw/zinc/51/47/44/952514744.db2.gz WLCVOSGUVHJDCW-WFASDCNBSA-N -1 1 376.417 0.532 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1-c1nn[n-]n1 ZINC001571121108 952514749 /nfs/dbraw/zinc/51/47/49/952514749.db2.gz WLCVOSGUVHJDCW-WFASDCNBSA-N -1 1 376.417 0.532 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571121360 952519043 /nfs/dbraw/zinc/51/90/43/952519043.db2.gz ZSDHLPOJFBCFFU-MGPLVRAMSA-N -1 1 376.396 0.043 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571121360 952519045 /nfs/dbraw/zinc/51/90/45/952519045.db2.gz ZSDHLPOJFBCFFU-MGPLVRAMSA-N -1 1 376.396 0.043 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571121338 952519378 /nfs/dbraw/zinc/51/93/78/952519378.db2.gz YTMUFWTXLIQMRZ-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571121338 952519384 /nfs/dbraw/zinc/51/93/84/952519384.db2.gz YTMUFWTXLIQMRZ-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM O=C(C1Cc2ccccc2C1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571121374 952520266 /nfs/dbraw/zinc/52/02/66/952520266.db2.gz ZVVBGSPQVWHTKE-OAHLLOKOSA-N -1 1 376.424 0.506 20 0 GCADMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2cccc(Br)c2)c(=O)n1C ZINC001571121963 952524092 /nfs/dbraw/zinc/52/40/92/952524092.db2.gz GKPJKRCNLDHMLG-UHFFFAOYSA-N -1 1 377.202 0.846 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575206364 952529162 /nfs/dbraw/zinc/52/91/62/952529162.db2.gz JDRJVJRBSFYZMU-DRZSPHRISA-N -1 1 382.432 0.328 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575206364 952529169 /nfs/dbraw/zinc/52/91/69/952529169.db2.gz JDRJVJRBSFYZMU-DRZSPHRISA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575206368 952529364 /nfs/dbraw/zinc/52/93/64/952529364.db2.gz JDRJVJRBSFYZMU-RAIGVLPGSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575206368 952529371 /nfs/dbraw/zinc/52/93/71/952529371.db2.gz JDRJVJRBSFYZMU-RAIGVLPGSA-N -1 1 382.432 0.328 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571123477 952531022 /nfs/dbraw/zinc/53/10/22/952531022.db2.gz SJINVLBUGGHQLW-ZJUUUORDSA-N -1 1 376.446 0.171 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575207122 952532254 /nfs/dbraw/zinc/53/22/54/952532254.db2.gz NUTKVVDMYFGGEI-RYUDHWBXSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575207122 952532258 /nfs/dbraw/zinc/53/22/58/952532258.db2.gz NUTKVVDMYFGGEI-RYUDHWBXSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575207076 952532612 /nfs/dbraw/zinc/53/26/12/952532612.db2.gz NMVXFYSBHPCWOD-SCRDCRAPSA-N -1 1 396.459 0.352 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575207076 952532619 /nfs/dbraw/zinc/53/26/19/952532619.db2.gz NMVXFYSBHPCWOD-SCRDCRAPSA-N -1 1 396.459 0.352 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575207478 952533002 /nfs/dbraw/zinc/53/30/02/952533002.db2.gz QHENPSNCLFXONW-VXGBXAGGSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575207478 952533004 /nfs/dbraw/zinc/53/30/04/952533004.db2.gz QHENPSNCLFXONW-VXGBXAGGSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575207474 952533013 /nfs/dbraw/zinc/53/30/13/952533013.db2.gz QHENPSNCLFXONW-NWDGAFQWSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575207474 952533017 /nfs/dbraw/zinc/53/30/17/952533017.db2.gz QHENPSNCLFXONW-NWDGAFQWSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575208020 952538172 /nfs/dbraw/zinc/53/81/72/952538172.db2.gz ZCUYLIOQTHQPRS-LLVKDONJSA-N -1 1 382.432 0.330 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575208020 952538175 /nfs/dbraw/zinc/53/81/75/952538175.db2.gz ZCUYLIOQTHQPRS-LLVKDONJSA-N -1 1 382.432 0.330 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1(c2cccnc2)CC1 ZINC001571126968 952548382 /nfs/dbraw/zinc/54/83/82/952548382.db2.gz AVWNCKDNGODRJY-CYBMUJFWSA-N -1 1 377.412 0.478 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1(c2cccnc2)CC1 ZINC001571126968 952548384 /nfs/dbraw/zinc/54/83/84/952548384.db2.gz AVWNCKDNGODRJY-CYBMUJFWSA-N -1 1 377.412 0.478 20 0 GCADMM O=C(c1ccnc(C2CC2)c1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571127131 952550341 /nfs/dbraw/zinc/55/03/41/952550341.db2.gz GXPQVDYZXVIRMR-UHFFFAOYSA-N -1 1 377.412 0.892 20 0 GCADMM O=C(c1ccnc(C2CC2)c1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571127131 952550346 /nfs/dbraw/zinc/55/03/46/952550346.db2.gz GXPQVDYZXVIRMR-UHFFFAOYSA-N -1 1 377.412 0.892 20 0 GCADMM O=C(CCc1ccccn1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571127228 952551541 /nfs/dbraw/zinc/55/15/41/952551541.db2.gz IADRMDJRHGJDQK-KBPBESRZSA-N -1 1 377.412 0.474 20 0 GCADMM O=C(CCc1ccccn1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571127228 952551544 /nfs/dbraw/zinc/55/15/44/952551544.db2.gz IADRMDJRHGJDQK-KBPBESRZSA-N -1 1 377.412 0.474 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1csc(Cl)n1 ZINC001571127621 952557798 /nfs/dbraw/zinc/55/77/98/952557798.db2.gz KAGMZKKIXQHGRO-SSDOTTSWSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1csc(Cl)n1 ZINC001571127621 952557804 /nfs/dbraw/zinc/55/78/04/952557804.db2.gz KAGMZKKIXQHGRO-SSDOTTSWSA-N -1 1 377.821 0.775 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575213563 952558687 /nfs/dbraw/zinc/55/86/87/952558687.db2.gz ASSIKIHYTLUVHC-JZYVYDRUSA-N -1 1 378.387 0.889 20 0 GCADMM O=C(c1cncnc1)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571127875 952560642 /nfs/dbraw/zinc/56/06/42/952560642.db2.gz LIVJVKLYSOBWBK-UHFFFAOYSA-N -1 1 377.821 0.729 20 0 GCADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571128178 952564749 /nfs/dbraw/zinc/56/47/49/952564749.db2.gz QAEDLRZBARGWJD-UONOGXRCSA-N -1 1 377.412 0.504 20 0 GCADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571128178 952564751 /nfs/dbraw/zinc/56/47/51/952564751.db2.gz QAEDLRZBARGWJD-UONOGXRCSA-N -1 1 377.412 0.504 20 0 GCADMM O=C(c1ccncc1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571128151 952564780 /nfs/dbraw/zinc/56/47/80/952564780.db2.gz PBDCQTGPQLXZMO-ZIAGYGMSSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(c1cccnc1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571128206 952564973 /nfs/dbraw/zinc/56/49/73/952564973.db2.gz QWVSOTRPHQJZSK-KGLIPLIRSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1cccnc1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571128206 952564976 /nfs/dbraw/zinc/56/49/76/952564976.db2.gz QWVSOTRPHQJZSK-KGLIPLIRSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1C1CC1 ZINC001571128525 952568368 /nfs/dbraw/zinc/56/83/68/952568368.db2.gz VWIGJUQKPBRQJX-GFCCVEGCSA-N -1 1 377.412 0.938 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1C1CC1 ZINC001571128525 952568372 /nfs/dbraw/zinc/56/83/72/952568372.db2.gz VWIGJUQKPBRQJX-GFCCVEGCSA-N -1 1 377.412 0.938 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575215505 952568832 /nfs/dbraw/zinc/56/88/32/952568832.db2.gz VAVFMDQNPDSZFD-GDGBQDQQSA-N -1 1 378.387 0.889 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575215505 952568834 /nfs/dbraw/zinc/56/88/34/952568834.db2.gz VAVFMDQNPDSZFD-GDGBQDQQSA-N -1 1 378.387 0.889 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c(C)c1 ZINC001571128743 952570315 /nfs/dbraw/zinc/57/03/15/952570315.db2.gz WFAROQDSSRBSFN-ATCWAGBWSA-N -1 1 377.412 0.533 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c(C)c1 ZINC001571128743 952570320 /nfs/dbraw/zinc/57/03/20/952570320.db2.gz WFAROQDSSRBSFN-ATCWAGBWSA-N -1 1 377.412 0.533 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575221663 952570737 /nfs/dbraw/zinc/57/07/37/952570737.db2.gz APJHFENBTNJDOZ-JTQLQIEISA-N -1 1 378.387 0.821 20 0 GCADMM CC1(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001571129468 952574011 /nfs/dbraw/zinc/57/40/11/952574011.db2.gz DIFHJSZACSLXBY-JTQLQIEISA-N -1 1 378.387 0.917 20 0 GCADMM C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571129522 952575253 /nfs/dbraw/zinc/57/52/53/952575253.db2.gz FXWMXTBSIOHOBR-KOLCDFICSA-N -1 1 378.387 0.773 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccc2c1OCC2 ZINC001571129543 952575524 /nfs/dbraw/zinc/57/55/24/952575524.db2.gz GOTCGXARRNEVDL-GFCCVEGCSA-N -1 1 378.396 0.600 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccc2c1OCC2 ZINC001571129543 952575532 /nfs/dbraw/zinc/57/55/32/952575532.db2.gz GOTCGXARRNEVDL-GFCCVEGCSA-N -1 1 378.396 0.600 20 0 GCADMM O=C(C1CCC(F)(F)CC1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130468 952579325 /nfs/dbraw/zinc/57/93/25/952579325.db2.gz RGSHCRPWWSKMCQ-NSHDSACASA-N -1 1 378.387 0.917 20 0 GCADMM COC(=O)C1(NCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCOCC1 ZINC001571130475 952579478 /nfs/dbraw/zinc/57/94/78/952579478.db2.gz RKRIZGNSMTWLHD-UHFFFAOYSA-N -1 1 378.389 0.327 20 0 GCADMM C[C@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC001571130226 952579652 /nfs/dbraw/zinc/57/96/52/952579652.db2.gz QDOANMJNEGFARP-HNNXBMFYSA-N -1 1 378.389 0.587 20 0 GCADMM C[C@](O)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC001571130226 952579655 /nfs/dbraw/zinc/57/96/55/952579655.db2.gz QDOANMJNEGFARP-HNNXBMFYSA-N -1 1 378.389 0.587 20 0 GCADMM O=S(=O)(NC[C@@H](O)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001571130520 952580681 /nfs/dbraw/zinc/58/06/81/952580681.db2.gz SDRKJXFGZHQIQK-NSHDSACASA-N -1 1 378.389 0.283 20 0 GCADMM O=S(=O)(NC[C@@H](O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001571130520 952580683 /nfs/dbraw/zinc/58/06/83/952580683.db2.gz SDRKJXFGZHQIQK-NSHDSACASA-N -1 1 378.389 0.283 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001571130696 952581623 /nfs/dbraw/zinc/58/16/23/952581623.db2.gz UQTUWKCOOUUGCA-KOLCDFICSA-N -1 1 378.387 0.773 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001571130695 952582039 /nfs/dbraw/zinc/58/20/39/952582039.db2.gz UQTUWKCOOUUGCA-GXSJLCMTSA-N -1 1 378.387 0.773 20 0 GCADMM COC(=O)c1oc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)cc1C ZINC001571130767 952582439 /nfs/dbraw/zinc/58/24/39/952582439.db2.gz XBASRXQTFHOIBZ-UHFFFAOYSA-N -1 1 378.370 0.428 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1COc2ccccc21 ZINC001571130770 952583005 /nfs/dbraw/zinc/58/30/05/952583005.db2.gz XCKDWFOWKGXALJ-WCQYABFASA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1COc2ccccc21 ZINC001571130770 952583011 /nfs/dbraw/zinc/58/30/11/952583011.db2.gz XCKDWFOWKGXALJ-WCQYABFASA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccncn1 ZINC001571135737 952607974 /nfs/dbraw/zinc/60/79/74/952607974.db2.gz CJTNDPVGCLDIPC-CXAGYDPISA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccncn1 ZINC001571135737 952607977 /nfs/dbraw/zinc/60/79/77/952607977.db2.gz CJTNDPVGCLDIPC-CXAGYDPISA-N -1 1 378.400 0.378 20 0 GCADMM Cc1nsc(NCC2CC(NC(=O)[C@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571135768 952608106 /nfs/dbraw/zinc/60/81/06/952608106.db2.gz DAGKMECLVNOEJP-AMDVSUOASA-N -1 1 378.418 0.047 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135808 952608969 /nfs/dbraw/zinc/60/89/69/952608969.db2.gz FDXOJNUIOXLOCR-NSHDSACASA-N -1 1 378.400 0.651 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135808 952608972 /nfs/dbraw/zinc/60/89/72/952608972.db2.gz FDXOJNUIOXLOCR-NSHDSACASA-N -1 1 378.400 0.651 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571135861 952610298 /nfs/dbraw/zinc/61/02/98/952610298.db2.gz GOBAHLIVXYPQCM-GXTWGEPZSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571135861 952610299 /nfs/dbraw/zinc/61/02/99/952610299.db2.gz GOBAHLIVXYPQCM-GXTWGEPZSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1ccncn1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571135859 952610331 /nfs/dbraw/zinc/61/03/31/952610331.db2.gz GJXDYAZFIIGCLY-NEPJUHHUSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1ccncn1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571135859 952610332 /nfs/dbraw/zinc/61/03/32/952610332.db2.gz GJXDYAZFIIGCLY-NEPJUHHUSA-N -1 1 378.400 0.330 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)[C@H](F)C(C)C)CCO2)n1 ZINC001571135940 952610608 /nfs/dbraw/zinc/61/06/08/952610608.db2.gz IQIOIALHKLCRDF-WCQYABFASA-N -1 1 378.412 0.599 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)[C@H](F)C(C)C)CCO2)n1 ZINC001571135940 952610613 /nfs/dbraw/zinc/61/06/13/952610613.db2.gz IQIOIALHKLCRDF-WCQYABFASA-N -1 1 378.412 0.599 20 0 GCADMM O=C(c1ccnnc1)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571136138 952612876 /nfs/dbraw/zinc/61/28/76/952612876.db2.gz MUVXQHSRYTZZKP-STQMWFEESA-N -1 1 378.400 0.188 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)c1ncccn1 ZINC001571136573 952615136 /nfs/dbraw/zinc/61/51/36/952615136.db2.gz RFMODINFFVGIQN-UHFFFAOYSA-N -1 1 378.400 0.600 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)c1ncccn1 ZINC001571136573 952615139 /nfs/dbraw/zinc/61/51/39/952615139.db2.gz RFMODINFFVGIQN-UHFFFAOYSA-N -1 1 378.400 0.600 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@H](F)CC)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571136642 952615695 /nfs/dbraw/zinc/61/56/95/952615695.db2.gz UFPPABYVQAZCIY-NQBHXWOUSA-N -1 1 378.412 0.680 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@H](F)CC)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571136642 952615697 /nfs/dbraw/zinc/61/56/97/952615697.db2.gz UFPPABYVQAZCIY-NQBHXWOUSA-N -1 1 378.412 0.680 20 0 GCADMM O=C(c1ncccn1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136761 952615893 /nfs/dbraw/zinc/61/58/93/952615893.db2.gz UXCVZFWSFLDONW-WCQYABFASA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1ncccn1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136761 952615898 /nfs/dbraw/zinc/61/58/98/952615898.db2.gz UXCVZFWSFLDONW-WCQYABFASA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571136807 952616106 /nfs/dbraw/zinc/61/61/06/952616106.db2.gz WRCSYZLHLGMSAO-KBPBESRZSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571136807 952616119 /nfs/dbraw/zinc/61/61/19/952616119.db2.gz WRCSYZLHLGMSAO-KBPBESRZSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ocnc1C1CC1 ZINC001571140175 952623402 /nfs/dbraw/zinc/62/34/02/952623402.db2.gz OTKBAOJIIUCRFY-MSRIBSCDSA-N -1 1 379.384 0.387 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ocnc1C1CC1 ZINC001571140175 952623404 /nfs/dbraw/zinc/62/34/04/952623404.db2.gz OTKBAOJIIUCRFY-MSRIBSCDSA-N -1 1 379.384 0.387 20 0 GCADMM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)c(=O)[nH]1 ZINC001571140656 952627955 /nfs/dbraw/zinc/62/79/55/952627955.db2.gz RKIZAQUJAOZSCJ-QWRGUYRKSA-N -1 1 379.384 0.169 20 0 GCADMM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)c(=O)[nH]1 ZINC001571140656 952627958 /nfs/dbraw/zinc/62/79/58/952627958.db2.gz RKIZAQUJAOZSCJ-QWRGUYRKSA-N -1 1 379.384 0.169 20 0 GCADMM Cc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(F)c3)C2)no1 ZINC001571140866 952629641 /nfs/dbraw/zinc/62/96/41/952629641.db2.gz UULBXJMIJBIZNG-SECBINFHSA-N -1 1 379.377 0.875 20 0 GCADMM Cc1[nH]nc(NC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c1-c1nn[n-]n1 ZINC001571141364 952633959 /nfs/dbraw/zinc/63/39/59/952633959.db2.gz XVTHLVNCMNGAJB-NTSWFWBYSA-N -1 1 379.324 0.060 20 0 GCADMM Cc1[nH]nc(NC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)c1-c1nn[n-]n1 ZINC001571141633 952635187 /nfs/dbraw/zinc/63/51/87/952635187.db2.gz XVTHLVNCMNGAJB-WDSKDSINSA-N -1 1 379.324 0.060 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571142776 952646158 /nfs/dbraw/zinc/64/61/58/952646158.db2.gz YAPUSQRAPYZFCP-ZUZCIYMTSA-N -1 1 378.462 0.174 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571142776 952646161 /nfs/dbraw/zinc/64/61/61/952646161.db2.gz YAPUSQRAPYZFCP-ZUZCIYMTSA-N -1 1 378.462 0.174 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571142774 952646214 /nfs/dbraw/zinc/64/62/14/952646214.db2.gz YAPUSQRAPYZFCP-BONVTDFDSA-N -1 1 378.462 0.174 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571142774 952646217 /nfs/dbraw/zinc/64/62/17/952646217.db2.gz YAPUSQRAPYZFCP-BONVTDFDSA-N -1 1 378.462 0.174 20 0 GCADMM O=C(Cc1cccnc1)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571146231 952648121 /nfs/dbraw/zinc/64/81/21/952648121.db2.gz DTZGXKRIISLZJW-KGLIPLIRSA-N -1 1 379.428 0.991 20 0 GCADMM O=C(Cc1cccnc1)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571146231 952648124 /nfs/dbraw/zinc/64/81/24/952648124.db2.gz DTZGXKRIISLZJW-KGLIPLIRSA-N -1 1 379.428 0.991 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571146567 952650305 /nfs/dbraw/zinc/65/03/05/952650305.db2.gz ISKDREQCLXANRW-HUUCEWRRSA-N -1 1 379.428 0.879 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571146567 952650309 /nfs/dbraw/zinc/65/03/09/952650309.db2.gz ISKDREQCLXANRW-HUUCEWRRSA-N -1 1 379.428 0.879 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc2n(c1)CCCC2 ZINC001571146612 952650402 /nfs/dbraw/zinc/65/04/02/952650402.db2.gz JVUGSUFVWZPUSX-CYBMUJFWSA-N -1 1 379.428 0.803 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc2n(c1)CCCC2 ZINC001571146612 952650403 /nfs/dbraw/zinc/65/04/03/952650403.db2.gz JVUGSUFVWZPUSX-CYBMUJFWSA-N -1 1 379.428 0.803 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571146968 952655713 /nfs/dbraw/zinc/65/57/13/952655713.db2.gz DXWHVIAVICAXQH-TZMCWYRMSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571146968 952655716 /nfs/dbraw/zinc/65/57/16/952655716.db2.gz DXWHVIAVICAXQH-TZMCWYRMSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001571147169 952657648 /nfs/dbraw/zinc/65/76/48/952657648.db2.gz HZDZWPWQTFHBGH-LPEHRKFASA-N -1 1 379.425 0.437 20 0 GCADMM CCc1c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)ccn1C ZINC001571147151 952657914 /nfs/dbraw/zinc/65/79/14/952657914.db2.gz HNJFLOZUZCYLKF-ATCWAGBWSA-N -1 1 379.428 0.422 20 0 GCADMM CCc1c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)ccn1C ZINC001571147151 952657917 /nfs/dbraw/zinc/65/79/17/952657917.db2.gz HNJFLOZUZCYLKF-ATCWAGBWSA-N -1 1 379.428 0.422 20 0 GCADMM Cn1ccc(C(=O)N[C@]23CCC[C@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)c1 ZINC001571147490 952661604 /nfs/dbraw/zinc/66/16/04/952661604.db2.gz ZVTRCBUIDASNEI-ACJLOTCBSA-N -1 1 379.428 0.927 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cccnc2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571147879 952664561 /nfs/dbraw/zinc/66/45/61/952664561.db2.gz RNXJSQUFXJRKNF-OCCSQVGLSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cccnc2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571147879 952664563 /nfs/dbraw/zinc/66/45/63/952664563.db2.gz RNXJSQUFXJRKNF-OCCSQVGLSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571147985 952664611 /nfs/dbraw/zinc/66/46/11/952664611.db2.gz SJWDKYRUVHYJOU-GXTWGEPZSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571147985 952664612 /nfs/dbraw/zinc/66/46/12/952664612.db2.gz SJWDKYRUVHYJOU-GXTWGEPZSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccncc1 ZINC001571148054 952665330 /nfs/dbraw/zinc/66/53/30/952665330.db2.gz UDDFEECCDDRODG-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccncc1 ZINC001571148054 952665331 /nfs/dbraw/zinc/66/53/31/952665331.db2.gz UDDFEECCDDRODG-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)c3ccncc3C)CC2)n1 ZINC001571148102 952665814 /nfs/dbraw/zinc/66/58/14/952665814.db2.gz VBUUUQPVEQKHBP-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)c3ccncc3C)CC2)n1 ZINC001571148102 952665818 /nfs/dbraw/zinc/66/58/18/952665818.db2.gz VBUUUQPVEQKHBP-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3ccc(C)c(C)n3)C2)n1 ZINC001571148414 952667229 /nfs/dbraw/zinc/66/72/29/952667229.db2.gz YYSAUJFWZGRXNM-CYBMUJFWSA-N -1 1 379.428 0.986 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3ccc(C)c(C)n3)C2)n1 ZINC001571148414 952667230 /nfs/dbraw/zinc/66/72/30/952667230.db2.gz YYSAUJFWZGRXNM-CYBMUJFWSA-N -1 1 379.428 0.986 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC001571148405 952667301 /nfs/dbraw/zinc/66/73/01/952667301.db2.gz YPPBHIMDJKDISH-OCCSQVGLSA-N -1 1 379.428 0.969 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153370 952686203 /nfs/dbraw/zinc/68/62/03/952686203.db2.gz PZJBGISCTSNHBQ-ZETCQYMHSA-N -1 1 379.837 0.719 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153370 952686206 /nfs/dbraw/zinc/68/62/06/952686206.db2.gz PZJBGISCTSNHBQ-ZETCQYMHSA-N -1 1 379.837 0.719 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571153947 952688433 /nfs/dbraw/zinc/68/84/33/952688433.db2.gz WUMIHFUZIZSIRW-QMMMGPOBSA-N -1 1 379.837 0.568 20 0 GCADMM COCc1ccc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001571155509 952697649 /nfs/dbraw/zinc/69/76/49/952697649.db2.gz UXXNAOVRENJWLP-UHFFFAOYSA-N -1 1 380.412 0.766 20 0 GCADMM COCc1ccc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571155509 952697650 /nfs/dbraw/zinc/69/76/50/952697650.db2.gz UXXNAOVRENJWLP-UHFFFAOYSA-N -1 1 380.412 0.766 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571155992 952699979 /nfs/dbraw/zinc/69/99/79/952699979.db2.gz AFHXZUUFDFZGES-IAQYHMDHSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571155992 952699982 /nfs/dbraw/zinc/69/99/82/952699982.db2.gz AFHXZUUFDFZGES-IAQYHMDHSA-N -1 1 379.428 0.862 20 0 GCADMM COCC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571155771 952700009 /nfs/dbraw/zinc/70/00/09/952700009.db2.gz ZSFANYGFEMWVQS-UONOGXRCSA-N -1 1 380.412 0.132 20 0 GCADMM Cc1cnc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571156676 952703914 /nfs/dbraw/zinc/70/39/14/952703914.db2.gz GVZPPWGKDDIDST-ZDUSSCGKSA-N -1 1 379.428 0.807 20 0 GCADMM Cc1cccnc1C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571157074 952706209 /nfs/dbraw/zinc/70/62/09/952706209.db2.gz MAEACKMPDXGOGW-CYBMUJFWSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1cccnc1C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571157074 952706211 /nfs/dbraw/zinc/70/62/11/952706211.db2.gz MAEACKMPDXGOGW-CYBMUJFWSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)cc1 ZINC001571157931 952709131 /nfs/dbraw/zinc/70/91/31/952709131.db2.gz DAWGJQNYSVAHMM-DZGCQCFKSA-N -1 1 380.412 0.335 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)cc1 ZINC001571157931 952709135 /nfs/dbraw/zinc/70/91/35/952709135.db2.gz DAWGJQNYSVAHMM-DZGCQCFKSA-N -1 1 380.412 0.335 20 0 GCADMM Cc1ccc(C)c(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)c1 ZINC001571158472 952712851 /nfs/dbraw/zinc/71/28/51/952712851.db2.gz ISWMPIQUHBSFHY-ZIAGYGMSSA-N -1 1 380.412 0.253 20 0 GCADMM Cc1ccc(C)c(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)c1 ZINC001571158472 952712854 /nfs/dbraw/zinc/71/28/54/952712854.db2.gz ISWMPIQUHBSFHY-ZIAGYGMSSA-N -1 1 380.412 0.253 20 0 GCADMM COc1cccc(CC(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571158690 952713988 /nfs/dbraw/zinc/71/39/88/952713988.db2.gz MNQNLIXXUVBRGZ-BETUJISGSA-N -1 1 380.412 0.967 20 0 GCADMM COc1cccc(CC(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571158690 952713989 /nfs/dbraw/zinc/71/39/89/952713989.db2.gz MNQNLIXXUVBRGZ-BETUJISGSA-N -1 1 380.412 0.967 20 0 GCADMM COc1cccc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571158993 952715593 /nfs/dbraw/zinc/71/55/93/952715593.db2.gz OTOMUFMVDHDRQP-LBPRGKRZSA-N -1 1 380.412 0.922 20 0 GCADMM O=C(Cc1ccoc1)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571160089 952724384 /nfs/dbraw/zinc/72/43/84/952724384.db2.gz DLNDZHHANSOJCQ-CQSZACIVSA-N -1 1 380.412 0.968 20 0 GCADMM O=C(Cc1ccoc1)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571160089 952724387 /nfs/dbraw/zinc/72/43/87/952724387.db2.gz DLNDZHHANSOJCQ-CQSZACIVSA-N -1 1 380.412 0.968 20 0 GCADMM Cc1cnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571160339 952725150 /nfs/dbraw/zinc/72/51/50/952725150.db2.gz ZELUNNMYXXGGGA-ZDUSSCGKSA-N -1 1 379.428 0.925 20 0 GCADMM Cc1cnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571160339 952725155 /nfs/dbraw/zinc/72/51/55/952725155.db2.gz ZELUNNMYXXGGGA-ZDUSSCGKSA-N -1 1 379.428 0.925 20 0 GCADMM Cc1cc[nH]c1C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571160347 952726259 /nfs/dbraw/zinc/72/62/59/952726259.db2.gz ZFGICEVYUBETIX-OLZOCXBDSA-N -1 1 379.428 0.892 20 0 GCADMM Cc1cc[nH]c1C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571160347 952726262 /nfs/dbraw/zinc/72/62/62/952726262.db2.gz ZFGICEVYUBETIX-OLZOCXBDSA-N -1 1 379.428 0.892 20 0 GCADMM O=C(c1ccccc1)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571161212 952731173 /nfs/dbraw/zinc/73/11/73/952731173.db2.gz RFGWXPKGOUVQLY-AWEZNQCLSA-N -1 1 380.412 0.422 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C1C=CC=CC=C1 ZINC001571161386 952732116 /nfs/dbraw/zinc/73/21/16/952732116.db2.gz UFOMIZZZBQRLPI-ZFWWWQNUSA-N -1 1 380.412 0.011 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C1C=CC=CC=C1 ZINC001571161386 952732119 /nfs/dbraw/zinc/73/21/19/952732119.db2.gz UFOMIZZZBQRLPI-ZFWWWQNUSA-N -1 1 380.412 0.011 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nnn[n-]3)n2)n(C)n1 ZINC001571161864 952735241 /nfs/dbraw/zinc/73/52/41/952735241.db2.gz CNLWVPQTYUNPDI-RYUDHWBXSA-N -1 1 380.416 0.110 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571161864 952735247 /nfs/dbraw/zinc/73/52/47/952735247.db2.gz CNLWVPQTYUNPDI-RYUDHWBXSA-N -1 1 380.416 0.110 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571161866 952735718 /nfs/dbraw/zinc/73/57/18/952735718.db2.gz CNVWFTJLGDUCBF-NSHDSACASA-N -1 1 380.416 0.726 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571161866 952735720 /nfs/dbraw/zinc/73/57/20/952735720.db2.gz CNVWFTJLGDUCBF-NSHDSACASA-N -1 1 380.416 0.726 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)ncn1 ZINC001571161823 952735724 /nfs/dbraw/zinc/73/57/24/952735724.db2.gz BHFWUBXBQASITG-CYBMUJFWSA-N -1 1 380.416 0.400 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)ncn1 ZINC001571161823 952735726 /nfs/dbraw/zinc/73/57/26/952735726.db2.gz BHFWUBXBQASITG-CYBMUJFWSA-N -1 1 380.416 0.400 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccnnc2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571161947 952736070 /nfs/dbraw/zinc/73/60/70/952736070.db2.gz FXDHOVRSUXXRCU-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccnnc2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571161947 952736076 /nfs/dbraw/zinc/73/60/76/952736076.db2.gz FXDHOVRSUXXRCU-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnccn2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571161928 952736511 /nfs/dbraw/zinc/73/65/11/952736511.db2.gz FJWXBBAXRLTPGN-NWDGAFQWSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnccn2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571161928 952736516 /nfs/dbraw/zinc/73/65/16/952736516.db2.gz FJWXBBAXRLTPGN-NWDGAFQWSA-N -1 1 380.416 0.800 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](C)[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571161943 952736655 /nfs/dbraw/zinc/73/66/55/952736655.db2.gz FTWQHHMCFCPOAI-JQWIXIFHSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571161943 952736658 /nfs/dbraw/zinc/73/66/58/952736658.db2.gz FTWQHHMCFCPOAI-JQWIXIFHSA-N -1 1 380.416 0.575 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571161894 952736672 /nfs/dbraw/zinc/73/66/72/952736672.db2.gz DOJQJHWCRWLMKH-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571161894 952736675 /nfs/dbraw/zinc/73/66/75/952736675.db2.gz DOJQJHWCRWLMKH-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cnn1 ZINC001571162003 952737645 /nfs/dbraw/zinc/73/76/45/952737645.db2.gz HGLDWFKFZUGFFJ-DGCLKSJQSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cnn1 ZINC001571162003 952737647 /nfs/dbraw/zinc/73/76/47/952737647.db2.gz HGLDWFKFZUGFFJ-DGCLKSJQSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)cnn1 ZINC001571162004 952737675 /nfs/dbraw/zinc/73/76/75/952737675.db2.gz HGLDWFKFZUGFFJ-WCQYABFASA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)cnn1 ZINC001571162004 952737682 /nfs/dbraw/zinc/73/76/82/952737682.db2.gz HGLDWFKFZUGFFJ-WCQYABFASA-N -1 1 380.416 0.860 20 0 GCADMM C[C@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571161984 952737732 /nfs/dbraw/zinc/73/77/32/952737732.db2.gz GWPJZECFSJMWQC-QWRGUYRKSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571161984 952737738 /nfs/dbraw/zinc/73/77/38/952737738.db2.gz GWPJZECFSJMWQC-QWRGUYRKSA-N -1 1 380.416 0.372 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571161988 952737771 /nfs/dbraw/zinc/73/77/71/952737771.db2.gz GWVPCQBBZYSJDQ-QGZVFWFLSA-N -1 1 380.416 0.431 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571161988 952737774 /nfs/dbraw/zinc/73/77/74/952737774.db2.gz GWVPCQBBZYSJDQ-QGZVFWFLSA-N -1 1 380.416 0.431 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1c[nH]nc1C1CC1 ZINC001571162098 952738254 /nfs/dbraw/zinc/73/82/54/952738254.db2.gz JYVKRQHSWTZPCR-GXSJLCMTSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1c[nH]nc1C1CC1 ZINC001571162098 952738257 /nfs/dbraw/zinc/73/82/57/952738257.db2.gz JYVKRQHSWTZPCR-GXSJLCMTSA-N -1 1 380.416 0.972 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571162104 952738474 /nfs/dbraw/zinc/73/84/74/952738474.db2.gz KBDZXWFLNYDKRA-LBPRGKRZSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162104 952738481 /nfs/dbraw/zinc/73/84/81/952738481.db2.gz KBDZXWFLNYDKRA-LBPRGKRZSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)c3ccnc(C)n3)C2)n1 ZINC001571162117 952738610 /nfs/dbraw/zinc/73/86/10/952738610.db2.gz KOICFEDFBGCARH-HAQNSBGRSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)c3ccnc(C)n3)C2)n1 ZINC001571162117 952738614 /nfs/dbraw/zinc/73/86/14/952738614.db2.gz KOICFEDFBGCARH-HAQNSBGRSA-N -1 1 380.416 0.684 20 0 GCADMM CCCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571162049 952738745 /nfs/dbraw/zinc/73/87/45/952738745.db2.gz IUBQPHXSLXSQJT-RYUDHWBXSA-N -1 1 380.416 0.436 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001571162062 952739047 /nfs/dbraw/zinc/73/90/47/952739047.db2.gz IYMYCTHBKDVGCP-YPMHNXCESA-N -1 1 380.416 0.942 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001571162062 952739053 /nfs/dbraw/zinc/73/90/53/952739053.db2.gz IYMYCTHBKDVGCP-YPMHNXCESA-N -1 1 380.416 0.942 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cnc(C)nc3C)C2)n1 ZINC001571162139 952739392 /nfs/dbraw/zinc/73/93/92/952739392.db2.gz LTBXZSYKMSQEAX-LBPRGKRZSA-N -1 1 380.416 0.381 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cnc(C)nc3C)C2)n1 ZINC001571162139 952739395 /nfs/dbraw/zinc/73/93/95/952739395.db2.gz LTBXZSYKMSQEAX-LBPRGKRZSA-N -1 1 380.416 0.381 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2nccc(C)n2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571162127 952739404 /nfs/dbraw/zinc/73/94/04/952739404.db2.gz LGTIZUGARPSHQB-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)NC2(C)CCN(c3nccnc3-c3nnn[n-]3)CC2)cnn1 ZINC001571162124 952739534 /nfs/dbraw/zinc/73/95/34/952739534.db2.gz LAAVGQYYKXEBTC-UHFFFAOYSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1cc(C(=O)NC2(C)CCN(c3nccnc3-c3nn[n-]n3)CC2)cnn1 ZINC001571162124 952739538 /nfs/dbraw/zinc/73/95/38/952739538.db2.gz LAAVGQYYKXEBTC-UHFFFAOYSA-N -1 1 380.416 0.544 20 0 GCADMM C[C@H](NC(=O)c1cncnc1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162162 952739773 /nfs/dbraw/zinc/73/97/73/952739773.db2.gz MLCKNFBVESMATO-NWDGAFQWSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@H](NC(=O)c1cncnc1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162162 952739778 /nfs/dbraw/zinc/73/97/78/952739778.db2.gz MLCKNFBVESMATO-NWDGAFQWSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@]1(NC(=O)c2c[nH]nc2C2CC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571162180 952740107 /nfs/dbraw/zinc/74/01/07/952740107.db2.gz MXPYRWGTZNRFNC-KRWDZBQOSA-N -1 1 380.416 0.656 20 0 GCADMM C[C@]1(NC(=O)c2c[nH]nc2C2CC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571162180 952740110 /nfs/dbraw/zinc/74/01/10/952740110.db2.gz MXPYRWGTZNRFNC-KRWDZBQOSA-N -1 1 380.416 0.656 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571162269 952740459 /nfs/dbraw/zinc/74/04/59/952740459.db2.gz PJBQEZNJUBQKSP-SMDDNHRTSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571162269 952740462 /nfs/dbraw/zinc/74/04/62/952740462.db2.gz PJBQEZNJUBQKSP-SMDDNHRTSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(N(C)C(=O)c3cccnn3)CC2)n1 ZINC001571162253 952740470 /nfs/dbraw/zinc/74/04/70/952740470.db2.gz OSVUXSNWNYKNSC-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(N(C)C(=O)c3cccnn3)CC2)n1 ZINC001571162253 952740474 /nfs/dbraw/zinc/74/04/74/952740474.db2.gz OSVUXSNWNYKNSC-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)nn1 ZINC001571162257 952740840 /nfs/dbraw/zinc/74/08/40/952740840.db2.gz OWMPNTYEVRWEEG-GFCCVEGCSA-N -1 1 380.416 0.326 20 0 GCADMM CCN(C(=O)c1ccnnc1)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571162251 952741096 /nfs/dbraw/zinc/74/10/96/952741096.db2.gz ORBVSAOUSUNRNZ-CYBMUJFWSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1ccnnc1)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571162251 952741100 /nfs/dbraw/zinc/74/11/00/952741100.db2.gz ORBVSAOUSUNRNZ-CYBMUJFWSA-N -1 1 380.416 0.496 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1cccnn1)c1cncc(-c2nnn[n-]2)n1 ZINC001571162265 952741149 /nfs/dbraw/zinc/74/11/49/952741149.db2.gz PCSLQAPHCJDRFI-GFCCVEGCSA-N -1 1 380.416 0.578 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1cccnn1)c1cncc(-c2nn[n-]n2)n1 ZINC001571162265 952741153 /nfs/dbraw/zinc/74/11/53/952741153.db2.gz PCSLQAPHCJDRFI-GFCCVEGCSA-N -1 1 380.416 0.578 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)n1 ZINC001571162337 952741733 /nfs/dbraw/zinc/74/17/33/952741733.db2.gz QRHCZKRDQTZKAM-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)n1 ZINC001571162337 952741735 /nfs/dbraw/zinc/74/17/35/952741735.db2.gz QRHCZKRDQTZKAM-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM Cc1ccnc(C(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571162309 952741752 /nfs/dbraw/zinc/74/17/52/952741752.db2.gz PYKCMIYUJOQXAI-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ccnc(C(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571162309 952741753 /nfs/dbraw/zinc/74/17/53/952741753.db2.gz PYKCMIYUJOQXAI-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)CCc2ncccn2)C1 ZINC001571162329 952742009 /nfs/dbraw/zinc/74/20/09/952742009.db2.gz QKQANBNRMJZOEJ-GFCCVEGCSA-N -1 1 380.416 0.117 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CCc2ncccn2)C1 ZINC001571162329 952742015 /nfs/dbraw/zinc/74/20/15/952742015.db2.gz QKQANBNRMJZOEJ-GFCCVEGCSA-N -1 1 380.416 0.117 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571162331 952742090 /nfs/dbraw/zinc/74/20/90/952742090.db2.gz QLXGUNIYVBPVGT-NEPJUHHUSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571162331 952742095 /nfs/dbraw/zinc/74/20/95/952742095.db2.gz QLXGUNIYVBPVGT-NEPJUHHUSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571162415 952742837 /nfs/dbraw/zinc/74/28/37/952742837.db2.gz TVXWSFFWYXVPLI-APPDUMDISA-N -1 1 380.416 0.620 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571162415 952742845 /nfs/dbraw/zinc/74/28/45/952742845.db2.gz TVXWSFFWYXVPLI-APPDUMDISA-N -1 1 380.416 0.620 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)ncn1 ZINC001571162392 952743407 /nfs/dbraw/zinc/74/34/07/952743407.db2.gz SQGIZNBNMHTUJW-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)ncn1 ZINC001571162392 952743411 /nfs/dbraw/zinc/74/34/11/952743411.db2.gz SQGIZNBNMHTUJW-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)C2)n1 ZINC001571162455 952743874 /nfs/dbraw/zinc/74/38/74/952743874.db2.gz URBQPWSNFHISRY-JTQLQIEISA-N -1 1 380.416 0.186 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnnc(C)c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571162613 952744197 /nfs/dbraw/zinc/74/41/97/952744197.db2.gz WGBCFUHXBCOBKH-QWHCGFSZSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571162449 952744222 /nfs/dbraw/zinc/74/42/22/952744222.db2.gz UOMXJXPKDZIUBE-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571162449 952744230 /nfs/dbraw/zinc/74/42/30/952744230.db2.gz UOMXJXPKDZIUBE-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571162619 952745080 /nfs/dbraw/zinc/74/50/80/952745080.db2.gz WJLNIIRKRCMKJQ-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571162619 952745085 /nfs/dbraw/zinc/74/50/85/952745085.db2.gz WJLNIIRKRCMKJQ-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571162681 952745312 /nfs/dbraw/zinc/74/53/12/952745312.db2.gz XTRYGQUEZZDJTD-LBPRGKRZSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571162681 952745315 /nfs/dbraw/zinc/74/53/15/952745315.db2.gz XTRYGQUEZZDJTD-LBPRGKRZSA-N -1 1 380.416 0.780 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001571162632 952745330 /nfs/dbraw/zinc/74/53/30/952745330.db2.gz WSIBLOPLJWHVIA-KOLCDFICSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H](NC(=O)c1cccnn1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571162656 952745362 /nfs/dbraw/zinc/74/53/62/952745362.db2.gz XHURHCITRBGELJ-VXGBXAGGSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@@H](NC(=O)c1cccnn1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571162656 952745364 /nfs/dbraw/zinc/74/53/64/952745364.db2.gz XHURHCITRBGELJ-VXGBXAGGSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571162683 952745440 /nfs/dbraw/zinc/74/54/40/952745440.db2.gz XVHFUWLNXMXHTE-WXHSDQCUSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571162683 952745444 /nfs/dbraw/zinc/74/54/44/952745444.db2.gz XVHFUWLNXMXHTE-WXHSDQCUSA-N -1 1 380.416 0.238 20 0 GCADMM CCn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571162628 952745460 /nfs/dbraw/zinc/74/54/60/952745460.db2.gz WPAJAGAXOAICMG-TXEJJXNPSA-N -1 1 380.416 0.367 20 0 GCADMM CCn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571162628 952745465 /nfs/dbraw/zinc/74/54/65/952745465.db2.gz WPAJAGAXOAICMG-TXEJJXNPSA-N -1 1 380.416 0.367 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571162657 952745552 /nfs/dbraw/zinc/74/55/52/952745552.db2.gz XJBBVJOCFNRWKE-LKFCYVNXSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571162657 952745555 /nfs/dbraw/zinc/74/55/55/952745555.db2.gz XJBBVJOCFNRWKE-LKFCYVNXSA-N -1 1 380.416 0.636 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)c1ncccn1 ZINC001571164954 952745847 /nfs/dbraw/zinc/74/58/47/952745847.db2.gz ADQRFSILTAYCKZ-GFCCVEGCSA-N -1 1 380.416 0.626 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c(C)nn1 ZINC001571162738 952745956 /nfs/dbraw/zinc/74/59/56/952745956.db2.gz YZNBOJIQVNRAFB-YPMHNXCESA-N -1 1 380.416 0.461 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)cnn1 ZINC001571162732 952746147 /nfs/dbraw/zinc/74/61/47/952746147.db2.gz YQIPRLSTTATUDF-ZDUSSCGKSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)cnn1 ZINC001571162732 952746155 /nfs/dbraw/zinc/74/61/55/952746155.db2.gz YQIPRLSTTATUDF-ZDUSSCGKSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571162772 952746238 /nfs/dbraw/zinc/74/62/38/952746238.db2.gz ZWRJWPHKPYEYRS-NWDGAFQWSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571162772 952746241 /nfs/dbraw/zinc/74/62/41/952746241.db2.gz ZWRJWPHKPYEYRS-NWDGAFQWSA-N -1 1 380.416 0.429 20 0 GCADMM C[C@@]12CN(C(=O)c3cn[nH]c3)C[C@]1(C)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571162753 952746262 /nfs/dbraw/zinc/74/62/62/952746262.db2.gz ZECHIRQVLMBFIK-CALCHBBNSA-N -1 1 380.416 0.368 20 0 GCADMM C[C@@]12CN(C(=O)c3cn[nH]c3)C[C@]1(C)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571162753 952746265 /nfs/dbraw/zinc/74/62/65/952746265.db2.gz ZECHIRQVLMBFIK-CALCHBBNSA-N -1 1 380.416 0.368 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)cnn1 ZINC001571162731 952746312 /nfs/dbraw/zinc/74/63/12/952746312.db2.gz YQIPRLSTTATUDF-CYBMUJFWSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)cnn1 ZINC001571162731 952746314 /nfs/dbraw/zinc/74/63/14/952746314.db2.gz YQIPRLSTTATUDF-CYBMUJFWSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571162762 952746378 /nfs/dbraw/zinc/74/63/78/952746378.db2.gz ZRRKYUXWIBPTDV-KRWDZBQOSA-N -1 1 380.416 0.431 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571162762 952746381 /nfs/dbraw/zinc/74/63/81/952746381.db2.gz ZRRKYUXWIBPTDV-KRWDZBQOSA-N -1 1 380.416 0.431 20 0 GCADMM CCc1ncncc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162737 952746479 /nfs/dbraw/zinc/74/64/79/952746479.db2.gz YXCOHOYDLBFSFK-XYPYZODXSA-N -1 1 380.416 0.052 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccncn1 ZINC001571162783 952746494 /nfs/dbraw/zinc/74/64/94/952746494.db2.gz ZXKHFEKEGYSTCN-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccncn1 ZINC001571162783 952746499 /nfs/dbraw/zinc/74/64/99/952746499.db2.gz ZXKHFEKEGYSTCN-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM O=C(CCc1cncnc1)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571165140 952747382 /nfs/dbraw/zinc/74/73/82/952747382.db2.gz CYJVSKYNFCLMCT-UHFFFAOYSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cncnc1)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571165140 952747386 /nfs/dbraw/zinc/74/73/86/952747386.db2.gz CYJVSKYNFCLMCT-UHFFFAOYSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165225 952747976 /nfs/dbraw/zinc/74/79/76/952747976.db2.gz GOTHPMPPCJLKPJ-PWSUYJOCSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165225 952747981 /nfs/dbraw/zinc/74/79/81/952747981.db2.gz GOTHPMPPCJLKPJ-PWSUYJOCSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1ncncc1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165154 952748082 /nfs/dbraw/zinc/74/80/82/952748082.db2.gz DJHXJYJUQLZXTF-LBPRGKRZSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1ncncc1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165154 952748088 /nfs/dbraw/zinc/74/80/88/952748088.db2.gz DJHXJYJUQLZXTF-LBPRGKRZSA-N -1 1 380.416 0.402 20 0 GCADMM Cn1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nnn[n-]2)C3)n1 ZINC001571165219 952748544 /nfs/dbraw/zinc/74/85/44/952748544.db2.gz GLBHIYQDRSFVHJ-GTNSWQLSSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nn[n-]n2)C3)n1 ZINC001571165219 952748554 /nfs/dbraw/zinc/74/85/54/952748554.db2.gz GLBHIYQDRSFVHJ-GTNSWQLSSA-N -1 1 380.416 0.179 20 0 GCADMM Cc1ncncc1C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165153 952748867 /nfs/dbraw/zinc/74/88/67/952748867.db2.gz DJHXJYJUQLZXTF-GFCCVEGCSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1ncncc1C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165153 952748869 /nfs/dbraw/zinc/74/88/69/952748869.db2.gz DJHXJYJUQLZXTF-GFCCVEGCSA-N -1 1 380.416 0.402 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(C2CC2)n[nH]1 ZINC001571165166 952748920 /nfs/dbraw/zinc/74/89/20/952748920.db2.gz DRMGLMQVVGZARU-JTQLQIEISA-N -1 1 380.416 0.514 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(C2CC2)n[nH]1 ZINC001571165166 952748922 /nfs/dbraw/zinc/74/89/22/952748922.db2.gz DRMGLMQVVGZARU-JTQLQIEISA-N -1 1 380.416 0.514 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571165471 952750296 /nfs/dbraw/zinc/75/02/96/952750296.db2.gz HOFJCXDYXMGSIL-CYBMUJFWSA-N -1 1 380.416 0.126 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571165471 952750302 /nfs/dbraw/zinc/75/03/02/952750302.db2.gz HOFJCXDYXMGSIL-CYBMUJFWSA-N -1 1 380.416 0.126 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571165479 952750871 /nfs/dbraw/zinc/75/08/71/952750871.db2.gz HVJNPONBIKKVLB-NSHDSACASA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571165479 952750876 /nfs/dbraw/zinc/75/08/76/952750876.db2.gz HVJNPONBIKKVLB-NSHDSACASA-N -1 1 380.416 0.516 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1n[nH]c2c1CCC2 ZINC001571165515 952752577 /nfs/dbraw/zinc/75/25/77/952752577.db2.gz IUBOBOWAIJVFCM-MGCOHNPYSA-N -1 1 380.416 0.489 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571165772 952754502 /nfs/dbraw/zinc/75/45/02/952754502.db2.gz KARRGMPNJBQHDA-UONOGXRCSA-N -1 1 380.416 0.274 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571165772 952754506 /nfs/dbraw/zinc/75/45/06/952754506.db2.gz KARRGMPNJBQHDA-UONOGXRCSA-N -1 1 380.416 0.274 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571165777 952754640 /nfs/dbraw/zinc/75/46/40/952754640.db2.gz KEDHYIMBUIIIJZ-WCQYABFASA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nccc(CCC(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571165758 952754706 /nfs/dbraw/zinc/75/47/06/952754706.db2.gz JSLBXWNBLUMGHT-UHFFFAOYSA-N -1 1 380.416 0.037 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccnnc1 ZINC001571165767 952755048 /nfs/dbraw/zinc/75/50/48/952755048.db2.gz JZANIYVHYRZRFX-YPMHNXCESA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccnnc1 ZINC001571165767 952755053 /nfs/dbraw/zinc/75/50/53/952755053.db2.gz JZANIYVHYRZRFX-YPMHNXCESA-N -1 1 380.416 0.847 20 0 GCADMM Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)cn1 ZINC001571165779 952755120 /nfs/dbraw/zinc/75/51/20/952755120.db2.gz KFJKPULCNFCIOQ-DRZSPHRISA-N -1 1 380.416 0.178 20 0 GCADMM Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)cn1 ZINC001571165779 952755122 /nfs/dbraw/zinc/75/51/22/952755122.db2.gz KFJKPULCNFCIOQ-DRZSPHRISA-N -1 1 380.416 0.178 20 0 GCADMM O=C(CCc1cnccn1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165805 952755285 /nfs/dbraw/zinc/75/52/85/952755285.db2.gz LHQAOSJRGXOEIP-GFCCVEGCSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(CCc1cnccn1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165805 952755288 /nfs/dbraw/zinc/75/52/88/952755288.db2.gz LHQAOSJRGXOEIP-GFCCVEGCSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166117 952758467 /nfs/dbraw/zinc/75/84/67/952758467.db2.gz ODORMZRBOJRBJO-NSHDSACASA-N -1 1 380.416 0.974 20 0 GCADMM O=C(Cn1cccn1)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571166151 952758928 /nfs/dbraw/zinc/75/89/28/952758928.db2.gz OVMDVEYFOIUWTJ-YHWZYXNKSA-N -1 1 380.416 0.169 20 0 GCADMM Cn1cncc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571166215 952759735 /nfs/dbraw/zinc/75/97/35/952759735.db2.gz QDSWLFIMKYFKRB-YOGCLGLASA-N -1 1 380.416 0.320 20 0 GCADMM Cn1cncc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571166215 952759740 /nfs/dbraw/zinc/75/97/40/952759740.db2.gz QDSWLFIMKYFKRB-YOGCLGLASA-N -1 1 380.416 0.320 20 0 GCADMM O=C([C@@H]1CCc2nccn2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166350 952760703 /nfs/dbraw/zinc/76/07/03/952760703.db2.gz QZAGPQHDTKPWFR-NEPJUHHUSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@@H]1CCc2nccn2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166350 952760707 /nfs/dbraw/zinc/76/07/07/952760707.db2.gz QZAGPQHDTKPWFR-NEPJUHHUSA-N -1 1 380.416 0.129 20 0 GCADMM Cc1cnc(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571166438 952761497 /nfs/dbraw/zinc/76/14/97/952761497.db2.gz ROWUWJKPDYPOBV-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ncc(C(=O)N[C@]23CCC[C@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)[nH]1 ZINC001571166493 952761871 /nfs/dbraw/zinc/76/18/71/952761871.db2.gz SRPJFVAUAFMHAU-DYVFJYSZSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571166639 952763296 /nfs/dbraw/zinc/76/32/96/952763296.db2.gz UJPMYXLSYAQFSC-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571166639 952763298 /nfs/dbraw/zinc/76/32/98/952763298.db2.gz UJPMYXLSYAQFSC-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM O=C(c1cn[nH]c1)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571166758 952764582 /nfs/dbraw/zinc/76/45/82/952764582.db2.gz VKXPOLBSQDMILD-KRWDZBQOSA-N -1 1 380.416 0.513 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)c1ccncn1 ZINC001571166783 952765122 /nfs/dbraw/zinc/76/51/22/952765122.db2.gz VVWATZGXQBABMC-RYUDHWBXSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)c1ccncn1 ZINC001571166783 952765128 /nfs/dbraw/zinc/76/51/28/952765128.db2.gz VVWATZGXQBABMC-RYUDHWBXSA-N -1 1 380.416 0.847 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C)n1 ZINC001571166765 952765272 /nfs/dbraw/zinc/76/52/72/952765272.db2.gz VRDQGGQFAVTXKB-HAQNSBGRSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C)n1 ZINC001571166765 952765277 /nfs/dbraw/zinc/76/52/77/952765277.db2.gz VRDQGGQFAVTXKB-HAQNSBGRSA-N -1 1 380.416 0.684 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnc2n1CCCC2 ZINC001571166836 952765574 /nfs/dbraw/zinc/76/55/74/952765574.db2.gz XKQDPMHBHNRXGX-PHIMTYICSA-N -1 1 380.416 0.562 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnc2n1CCCC2 ZINC001571166836 952765577 /nfs/dbraw/zinc/76/55/77/952765577.db2.gz XKQDPMHBHNRXGX-PHIMTYICSA-N -1 1 380.416 0.562 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1n[nH]c2c1CCC2 ZINC001571166806 952765613 /nfs/dbraw/zinc/76/56/13/952765613.db2.gz WIRUIJHAYIYAQN-SNVBAGLBSA-N -1 1 380.416 0.267 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCn2ccnc2C1 ZINC001571166861 952766895 /nfs/dbraw/zinc/76/68/95/952766895.db2.gz YHTFITGHZUSQTP-UTUOFQBUSA-N -1 1 380.416 0.175 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCn2ccnc2C1 ZINC001571166861 952766897 /nfs/dbraw/zinc/76/68/97/952766897.db2.gz YHTFITGHZUSQTP-UTUOFQBUSA-N -1 1 380.416 0.175 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166946 952767447 /nfs/dbraw/zinc/76/74/47/952767447.db2.gz YYHWIOQSECYXFN-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166946 952767453 /nfs/dbraw/zinc/76/74/53/952767453.db2.gz YYHWIOQSECYXFN-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cn1cncc1C(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001571166973 952768013 /nfs/dbraw/zinc/76/80/13/952768013.db2.gz ZSGHGKQOTFAJBB-QWHCGFSZSA-N -1 1 380.416 0.543 20 0 GCADMM Cn1cncc1C(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166973 952768017 /nfs/dbraw/zinc/76/80/17/952768017.db2.gz ZSGHGKQOTFAJBB-QWHCGFSZSA-N -1 1 380.416 0.543 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C1CC1 ZINC001571166960 952768170 /nfs/dbraw/zinc/76/81/70/952768170.db2.gz ZGELUJGPNCVHIR-LLVKDONJSA-N -1 1 380.416 0.594 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C1CC1 ZINC001571166960 952768172 /nfs/dbraw/zinc/76/81/72/952768172.db2.gz ZGELUJGPNCVHIR-LLVKDONJSA-N -1 1 380.416 0.594 20 0 GCADMM Cc1cccc(C2(NC(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)CCC2)c1 ZINC001571169968 952781487 /nfs/dbraw/zinc/78/14/87/952781487.db2.gz AYISXLDPNMRGME-UHFFFAOYSA-N -1 1 381.396 0.633 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571170171 952783901 /nfs/dbraw/zinc/78/39/01/952783901.db2.gz FANBVMCVNIAKPM-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571170171 952783903 /nfs/dbraw/zinc/78/39/03/952783903.db2.gz FANBVMCVNIAKPM-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571170234 952784761 /nfs/dbraw/zinc/78/47/61/952784761.db2.gz GMZLXOZGSHUYMQ-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571170234 952784763 /nfs/dbraw/zinc/78/47/63/952784763.db2.gz GMZLXOZGSHUYMQ-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1coc(C2CC2)n1 ZINC001571170414 952786308 /nfs/dbraw/zinc/78/63/08/952786308.db2.gz JCLPNMMMQKZCIS-GXSJLCMTSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571171042 952790501 /nfs/dbraw/zinc/79/05/01/952790501.db2.gz MJBLRCSWPBZGIZ-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571171042 952790507 /nfs/dbraw/zinc/79/05/07/952790507.db2.gz MJBLRCSWPBZGIZ-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)on2)n1 ZINC001571171076 952790966 /nfs/dbraw/zinc/79/09/66/952790966.db2.gz NKKWLSKPZRRTQA-QWRGUYRKSA-N -1 1 381.400 0.619 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)on2)n1 ZINC001571171076 952790969 /nfs/dbraw/zinc/79/09/69/952790969.db2.gz NKKWLSKPZRRTQA-QWRGUYRKSA-N -1 1 381.400 0.619 20 0 GCADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571171258 952791385 /nfs/dbraw/zinc/79/13/85/952791385.db2.gz QMFGBQHQOGLEMB-CMPLNLGQSA-N -1 1 381.400 0.863 20 0 GCADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571171258 952791387 /nfs/dbraw/zinc/79/13/87/952791387.db2.gz QMFGBQHQOGLEMB-CMPLNLGQSA-N -1 1 381.400 0.863 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@@H](c1ccccc1)C1CC1 ZINC001571171273 952791505 /nfs/dbraw/zinc/79/15/05/952791505.db2.gz QOKOURHOBBGZGK-ZDUSSCGKSA-N -1 1 381.396 0.439 20 0 GCADMM CCc1ocnc1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571171336 952793026 /nfs/dbraw/zinc/79/30/26/952793026.db2.gz QXGYPIQXIMNTLC-RTCCRHLQSA-N -1 1 381.400 0.319 20 0 GCADMM CCc1ocnc1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571171336 952793028 /nfs/dbraw/zinc/79/30/28/952793028.db2.gz QXGYPIQXIMNTLC-RTCCRHLQSA-N -1 1 381.400 0.319 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571171819 952797909 /nfs/dbraw/zinc/79/79/09/952797909.db2.gz XHYZDDGGFUIARF-CMPLNLGQSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571171819 952797911 /nfs/dbraw/zinc/79/79/11/952797911.db2.gz XHYZDDGGFUIARF-CMPLNLGQSA-N -1 1 381.400 0.720 20 0 GCADMM CCOc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571171825 952798137 /nfs/dbraw/zinc/79/81/37/952798137.db2.gz XJSWFUPNSAUPCN-HAQNSBGRSA-N -1 1 381.400 0.245 20 0 GCADMM CCOc1ncccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571171832 952798308 /nfs/dbraw/zinc/79/83/08/952798308.db2.gz XUMZJYQEPNAJSB-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM CCOc1ncccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571171832 952798314 /nfs/dbraw/zinc/79/83/14/952798314.db2.gz XUMZJYQEPNAJSB-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM C[C@@H]1CN(C(=O)c2ncccc2O)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171834 952798336 /nfs/dbraw/zinc/79/83/36/952798336.db2.gz XYVLCRWPGZMSDD-GHMZBOCLSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1nccnc1-c1nn[nH]n1 ZINC001571171834 952798341 /nfs/dbraw/zinc/79/83/41/952798341.db2.gz XYVLCRWPGZMSDD-GHMZBOCLSA-N -1 1 381.400 0.720 20 0 GCADMM CCCc1nc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)co1 ZINC001571171848 952798372 /nfs/dbraw/zinc/79/83/72/952798372.db2.gz YGZZOSPCYSOCHK-RTUWITSCSA-N -1 1 381.400 0.462 20 0 GCADMM CCCc1nc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)co1 ZINC001571171848 952798375 /nfs/dbraw/zinc/79/83/75/952798375.db2.gz YGZZOSPCYSOCHK-RTUWITSCSA-N -1 1 381.400 0.462 20 0 GCADMM Cn1cnc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571171894 952799285 /nfs/dbraw/zinc/79/92/85/952799285.db2.gz HVIUUCVHJWQNHJ-LURJTMIESA-N -1 1 380.825 0.114 20 0 GCADMM Cn1cnc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571171894 952799296 /nfs/dbraw/zinc/79/92/96/952799296.db2.gz HVIUUCVHJWQNHJ-LURJTMIESA-N -1 1 380.825 0.114 20 0 GCADMM O=C([C@@H]1CC12CC2)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571172062 952801187 /nfs/dbraw/zinc/80/11/87/952801187.db2.gz LKFGUMBGPIPKBZ-JMERFSKESA-N -1 1 380.456 0.919 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571172147 952802634 /nfs/dbraw/zinc/80/26/34/952802634.db2.gz NXGAHWYTQICSAK-BGUYFVEKSA-N -1 1 380.456 0.677 20 0 GCADMM C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571172820 952807892 /nfs/dbraw/zinc/80/78/92/952807892.db2.gz YJLMPAAPTFAAFO-PHDIDXHHSA-N -1 1 380.825 0.667 20 0 GCADMM C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571172820 952807897 /nfs/dbraw/zinc/80/78/97/952807897.db2.gz YJLMPAAPTFAAFO-PHDIDXHHSA-N -1 1 380.825 0.667 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571174564 952809918 /nfs/dbraw/zinc/80/99/18/952809918.db2.gz AKICUJGKCUOUDA-PHIMTYICSA-N -1 1 381.400 0.686 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571174564 952809923 /nfs/dbraw/zinc/80/99/23/952809923.db2.gz AKICUJGKCUOUDA-PHIMTYICSA-N -1 1 381.400 0.686 20 0 GCADMM COc1cc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571174717 952812759 /nfs/dbraw/zinc/81/27/59/952812759.db2.gz GASNMADGXXLGSZ-LBPRGKRZSA-N -1 1 381.400 0.411 20 0 GCADMM COc1cccnc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571174736 952812794 /nfs/dbraw/zinc/81/27/94/952812794.db2.gz GSZZPMYIRDZDIN-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccnc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571174736 952812798 /nfs/dbraw/zinc/81/27/98/952812798.db2.gz GSZZPMYIRDZDIN-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)ccn1 ZINC001571174662 952813034 /nfs/dbraw/zinc/81/30/34/952813034.db2.gz DNLFXJZQSGQGLX-PWSUYJOCSA-N -1 1 381.400 0.458 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)ccn1 ZINC001571174662 952813043 /nfs/dbraw/zinc/81/30/43/952813043.db2.gz DNLFXJZQSGQGLX-PWSUYJOCSA-N -1 1 381.400 0.458 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccon2)n1 ZINC001571174897 952815364 /nfs/dbraw/zinc/81/53/64/952815364.db2.gz LWPGGPMKVMDICW-ZIAGYGMSSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccon2)n1 ZINC001571174897 952815366 /nfs/dbraw/zinc/81/53/66/952815366.db2.gz LWPGGPMKVMDICW-ZIAGYGMSSA-N -1 1 381.400 0.837 20 0 GCADMM COc1ccnc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571175050 952816524 /nfs/dbraw/zinc/81/65/24/952816524.db2.gz OBAXCISMYGTOBQ-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)ccn1 ZINC001571174939 952817007 /nfs/dbraw/zinc/81/70/07/952817007.db2.gz NQDGNSKLCSGYIV-JQWIXIFHSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)ccn1 ZINC001571174939 952817012 /nfs/dbraw/zinc/81/70/12/952817012.db2.gz NQDGNSKLCSGYIV-JQWIXIFHSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccnc1CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571175105 952817568 /nfs/dbraw/zinc/81/75/68/952817568.db2.gz PMWNPAPJEMCJFQ-PHIMTYICSA-N -1 1 381.400 0.362 20 0 GCADMM COc1cccnc1CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571175105 952817571 /nfs/dbraw/zinc/81/75/71/952817571.db2.gz PMWNPAPJEMCJFQ-PHIMTYICSA-N -1 1 381.400 0.362 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571175261 952819348 /nfs/dbraw/zinc/81/93/48/952819348.db2.gz RGCFYKFFWSTYBG-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571175261 952819354 /nfs/dbraw/zinc/81/93/54/952819354.db2.gz RGCFYKFFWSTYBG-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571175300 952819843 /nfs/dbraw/zinc/81/98/43/952819843.db2.gz RXARVGNWHKYVLJ-GXFFZTMASA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571175300 952819847 /nfs/dbraw/zinc/81/98/47/952819847.db2.gz RXARVGNWHKYVLJ-GXFFZTMASA-N -1 1 381.400 0.633 20 0 GCADMM COc1ncccc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571175269 952819924 /nfs/dbraw/zinc/81/99/24/952819924.db2.gz RHQVELVIILEGSU-PWSUYJOCSA-N -1 1 381.400 0.633 20 0 GCADMM COc1ncccc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571175269 952819927 /nfs/dbraw/zinc/81/99/27/952819927.db2.gz RHQVELVIILEGSU-PWSUYJOCSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccnc1C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571175377 952820852 /nfs/dbraw/zinc/82/08/52/952820852.db2.gz UKYXZEHCUUXDEZ-QGZVFWFLSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccnc1C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571175377 952820855 /nfs/dbraw/zinc/82/08/55/952820855.db2.gz UKYXZEHCUUXDEZ-QGZVFWFLSA-N -1 1 381.400 0.459 20 0 GCADMM CN(C(=O)c1ocnc1C1CC1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571175594 952822188 /nfs/dbraw/zinc/82/21/88/952822188.db2.gz WGYLWHYCRYVSOH-LLVKDONJSA-N -1 1 381.400 0.873 20 0 GCADMM CN(C(=O)c1ocnc1C1CC1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571175594 952822193 /nfs/dbraw/zinc/82/21/93/952822193.db2.gz WGYLWHYCRYVSOH-LLVKDONJSA-N -1 1 381.400 0.873 20 0 GCADMM COc1cccc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571175579 952822529 /nfs/dbraw/zinc/82/25/29/952822529.db2.gz VPLSNJUNEUONAY-XYPYZODXSA-N -1 1 381.400 0.103 20 0 GCADMM CN(C(=O)c1conc1C1CC1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571175610 952823267 /nfs/dbraw/zinc/82/32/67/952823267.db2.gz XDCQWBJCSCRBBW-NSHDSACASA-N -1 1 381.400 0.873 20 0 GCADMM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(=O)[nH]1 ZINC001571175619 952823327 /nfs/dbraw/zinc/82/33/27/952823327.db2.gz XHWWOJYLOZDMTN-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(=O)[nH]1 ZINC001571175619 952823330 /nfs/dbraw/zinc/82/33/30/952823330.db2.gz XHWWOJYLOZDMTN-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM Cc1ocnc1C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571175652 952823650 /nfs/dbraw/zinc/82/36/50/952823650.db2.gz DECYPTKVEUXACK-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1ocnc1C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571175652 952823655 /nfs/dbraw/zinc/82/36/55/952823655.db2.gz DECYPTKVEUXACK-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1nn(C)c(NC(=O)c2ccc(N3CCNC3=O)c(C)c2)c1-c1nnn[n-]1 ZINC001571175611 952824069 /nfs/dbraw/zinc/82/40/69/952824069.db2.gz XDKNGOIOCXEJTJ-UHFFFAOYSA-N -1 1 381.400 0.999 20 0 GCADMM Cc1nn(C)c(NC(=O)c2ccc(N3CCNC3=O)c(C)c2)c1-c1nn[n-]n1 ZINC001571175611 952824075 /nfs/dbraw/zinc/82/40/75/952824075.db2.gz XDKNGOIOCXEJTJ-UHFFFAOYSA-N -1 1 381.400 0.999 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnoc1C1CC1 ZINC001571175732 952825010 /nfs/dbraw/zinc/82/50/10/952825010.db2.gz GQXQCVYLXLBTQQ-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM Cc1cc(C2(C(=O)N3CC[C@H](Nc4cnc(-c5nnn[n-]5)cn4)C3)CC2)on1 ZINC001571175737 952825363 /nfs/dbraw/zinc/82/53/63/952825363.db2.gz YIDKDCRKEIRMKK-NSHDSACASA-N -1 1 381.400 0.698 20 0 GCADMM Cc1cc(C2(C(=O)N3CC[C@H](Nc4cnc(-c5nn[n-]n5)cn4)C3)CC2)on1 ZINC001571175737 952825365 /nfs/dbraw/zinc/82/53/65/952825365.db2.gz YIDKDCRKEIRMKK-NSHDSACASA-N -1 1 381.400 0.698 20 0 GCADMM COc1cccnc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571175786 952826257 /nfs/dbraw/zinc/82/62/57/952826257.db2.gz ZZJDFNNXGJOZQL-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccnc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571175786 952826266 /nfs/dbraw/zinc/82/62/66/952826266.db2.gz ZZJDFNNXGJOZQL-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)co1 ZINC001571175763 952826305 /nfs/dbraw/zinc/82/63/05/952826305.db2.gz GVOOHNKOOAWEEK-CYBMUJFWSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)co1 ZINC001571175763 952826308 /nfs/dbraw/zinc/82/63/08/952826308.db2.gz GVOOHNKOOAWEEK-CYBMUJFWSA-N -1 1 381.400 0.742 20 0 GCADMM O=C(COc1cccnc1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571175929 952826912 /nfs/dbraw/zinc/82/69/12/952826912.db2.gz INRBCYQCTXOSEY-GFCCVEGCSA-N -1 1 381.400 0.534 20 0 GCADMM O=C(COc1cccnc1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571175929 952826920 /nfs/dbraw/zinc/82/69/20/952826920.db2.gz INRBCYQCTXOSEY-GFCCVEGCSA-N -1 1 381.400 0.534 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1coc(C2CC2)n1 ZINC001571175955 952827938 /nfs/dbraw/zinc/82/79/38/952827938.db2.gz JMLFZHHQQRWZBM-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1coc(C2CC2)n1 ZINC001571175955 952827944 /nfs/dbraw/zinc/82/79/44/952827944.db2.gz JMLFZHHQQRWZBM-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM Cc1conc1C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571175964 952828004 /nfs/dbraw/zinc/82/80/04/952828004.db2.gz KBAQYZOHISCIGE-GHMZBOCLSA-N -1 1 381.400 0.528 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1)c1cocn1 ZINC001571176158 952829569 /nfs/dbraw/zinc/82/95/69/952829569.db2.gz MUARFUCNFZNIRE-SDDRHHMPSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(Cc1cnoc1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571176493 952831564 /nfs/dbraw/zinc/83/15/64/952831564.db2.gz RUMCHCHRHWBPLE-ZIAGYGMSSA-N -1 1 381.400 0.457 20 0 GCADMM O=C(Cc1cnoc1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571176493 952831567 /nfs/dbraw/zinc/83/15/67/952831567.db2.gz RUMCHCHRHWBPLE-ZIAGYGMSSA-N -1 1 381.400 0.457 20 0 GCADMM Cc1nocc1C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571176609 952833442 /nfs/dbraw/zinc/83/34/42/952833442.db2.gz VSIXKSZQWKLFMF-CYBMUJFWSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1nocc1C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571176609 952833449 /nfs/dbraw/zinc/83/34/49/952833449.db2.gz VSIXKSZQWKLFMF-CYBMUJFWSA-N -1 1 381.400 0.742 20 0 GCADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnc(C2CC2)o1 ZINC001571176589 952833457 /nfs/dbraw/zinc/83/34/57/952833457.db2.gz VKGRHJHBUCDPTI-JTQLQIEISA-N -1 1 381.400 0.778 20 0 GCADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnc(C2CC2)o1 ZINC001571176589 952833462 /nfs/dbraw/zinc/83/34/62/952833462.db2.gz VKGRHJHBUCDPTI-JTQLQIEISA-N -1 1 381.400 0.778 20 0 GCADMM Cc1conc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571176582 952833734 /nfs/dbraw/zinc/83/37/34/952833734.db2.gz VGYXUMRPGOUIIU-NWDGAFQWSA-N -1 1 381.400 0.837 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1cocn1 ZINC001571176552 952833852 /nfs/dbraw/zinc/83/38/52/952833852.db2.gz USTJWTUWDNRICU-CXAGYDPISA-N -1 1 381.400 0.824 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1cocn1 ZINC001571176552 952833856 /nfs/dbraw/zinc/83/38/56/952833856.db2.gz USTJWTUWDNRICU-CXAGYDPISA-N -1 1 381.400 0.824 20 0 GCADMM Cc1nocc1C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571176658 952834304 /nfs/dbraw/zinc/83/43/04/952834304.db2.gz WXLGAYAVLRUDKY-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1cnoc1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571176707 952834938 /nfs/dbraw/zinc/83/49/38/952834938.db2.gz XPYUKZJGXDIBNM-SJKOYZFVSA-N -1 1 381.400 0.885 20 0 GCADMM Cc1cnoc1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571176707 952834942 /nfs/dbraw/zinc/83/49/42/952834942.db2.gz XPYUKZJGXDIBNM-SJKOYZFVSA-N -1 1 381.400 0.885 20 0 GCADMM O=C(c1ccon1)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571178163 952835816 /nfs/dbraw/zinc/83/58/16/952835816.db2.gz AFIKGJDUGKMTIF-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(c1ccon1)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571178163 952835820 /nfs/dbraw/zinc/83/58/20/952835820.db2.gz AFIKGJDUGKMTIF-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(c1cn(C2CCC2)nn1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178184 952836121 /nfs/dbraw/zinc/83/61/21/952836121.db2.gz ARYUACMZQGUVLY-SNVBAGLBSA-N -1 1 381.404 0.300 20 0 GCADMM O=C(c1cn(C2CCC2)nn1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178184 952836127 /nfs/dbraw/zinc/83/61/27/952836127.db2.gz ARYUACMZQGUVLY-SNVBAGLBSA-N -1 1 381.404 0.300 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001571178401 952839909 /nfs/dbraw/zinc/83/99/09/952839909.db2.gz HQBDUBFDUFKTMZ-DCAQKATOSA-N -1 1 381.404 0.128 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001571178401 952839914 /nfs/dbraw/zinc/83/99/14/952839914.db2.gz HQBDUBFDUFKTMZ-DCAQKATOSA-N -1 1 381.404 0.128 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571178862 952849701 /nfs/dbraw/zinc/84/97/01/952849701.db2.gz WSOJHTWQHVLNTL-UHFFFAOYSA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571178862 952849704 /nfs/dbraw/zinc/84/97/04/952849704.db2.gz WSOJHTWQHVLNTL-UHFFFAOYSA-N -1 1 381.400 0.722 20 0 GCADMM CC1(C)CN(C(=O)CCn2cccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571183452 952878267 /nfs/dbraw/zinc/87/82/67/952878267.db2.gz AJPPKTONAIMPJE-ZDUSSCGKSA-N -1 1 381.444 0.619 20 0 GCADMM CCc1c(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571183492 952878608 /nfs/dbraw/zinc/87/86/08/952878608.db2.gz BWMKVMBVSSIFHI-DGCLKSJQSA-N -1 1 381.444 0.552 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)CCn1cccc1)c1cncc(-c2nnn[n-]2)n1 ZINC001571184591 952895883 /nfs/dbraw/zinc/89/58/83/952895883.db2.gz AQHNVUJCXPPEMD-CQSZACIVSA-N -1 1 381.444 0.976 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)CCn1cccc1)c1cncc(-c2nn[n-]n2)n1 ZINC001571184591 952895892 /nfs/dbraw/zinc/89/58/92/952895892.db2.gz AQHNVUJCXPPEMD-CQSZACIVSA-N -1 1 381.444 0.976 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccn2C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184840 952897994 /nfs/dbraw/zinc/89/79/94/952897994.db2.gz FBWOKABFZKOMAI-OLZOCXBDSA-N -1 1 381.444 0.770 20 0 GCADMM Cc1ccc(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n1C ZINC001571188704 952917928 /nfs/dbraw/zinc/91/79/28/952917928.db2.gz MSNMNYSVZUUEQA-UHFFFAOYSA-N -1 1 381.444 0.832 20 0 GCADMM Cc1ccn(C)c1C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571188889 952921596 /nfs/dbraw/zinc/92/15/96/952921596.db2.gz PARRQJZPBBCVJR-ZDUSSCGKSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1ccn(C)c1C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571188889 952921597 /nfs/dbraw/zinc/92/15/97/952921597.db2.gz PARRQJZPBBCVJR-ZDUSSCGKSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1ccc(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1C ZINC001571189108 952925743 /nfs/dbraw/zinc/92/57/43/952925743.db2.gz SFYADRXYTROIEX-UHFFFAOYSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1ccc(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1C ZINC001571189108 952925747 /nfs/dbraw/zinc/92/57/47/952925747.db2.gz SFYADRXYTROIEX-UHFFFAOYSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1ccn(C)c1C(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571189305 952928452 /nfs/dbraw/zinc/92/84/52/952928452.db2.gz URZDVWZEOAIPBM-OLZOCXBDSA-N -1 1 381.444 0.546 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)c1cnon1 ZINC001571192167 952947407 /nfs/dbraw/zinc/94/74/07/952947407.db2.gz SIXOQLRPYBTGOD-OLQVQODUSA-N -1 1 381.809 0.980 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)c1cnon1 ZINC001571192167 952947415 /nfs/dbraw/zinc/94/74/15/952947415.db2.gz SIXOQLRPYBTGOD-OLQVQODUSA-N -1 1 381.809 0.980 20 0 GCADMM Cc1n[nH]c(=O)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571193791 952953583 /nfs/dbraw/zinc/95/35/83/952953583.db2.gz CIUZZEHMFVQVEP-SNVBAGLBSA-N -1 1 382.388 0.096 20 0 GCADMM Cc1n[nH]c(=O)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571193791 952953587 /nfs/dbraw/zinc/95/35/87/952953587.db2.gz CIUZZEHMFVQVEP-SNVBAGLBSA-N -1 1 382.388 0.096 20 0 GCADMM Cc1cc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)ccc1N1CCCC1=O ZINC001571193877 952954684 /nfs/dbraw/zinc/95/46/84/952954684.db2.gz AGLKDKIOJSAMSW-UHFFFAOYSA-N -1 1 382.384 0.845 20 0 GCADMM Cc1cc(=O)oc(C)c1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571194055 952956821 /nfs/dbraw/zinc/95/68/21/952956821.db2.gz FLTNWUNDVWUCBL-XYPYZODXSA-N -1 1 382.384 0.600 20 0 GCADMM Cc1cc(=O)oc(C)c1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571194055 952956825 /nfs/dbraw/zinc/95/68/25/952956825.db2.gz FLTNWUNDVWUCBL-XYPYZODXSA-N -1 1 382.384 0.600 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cn[nH]c(=O)c1 ZINC001571194152 952958288 /nfs/dbraw/zinc/95/82/88/952958288.db2.gz JEISZUMYKPUZKM-XYPYZODXSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cn[nH]c(=O)c1 ZINC001571194152 952958292 /nfs/dbraw/zinc/95/82/92/952958292.db2.gz JEISZUMYKPUZKM-XYPYZODXSA-N -1 1 382.388 0.305 20 0 GCADMM COCc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)o1 ZINC001571194129 952958391 /nfs/dbraw/zinc/95/83/91/952958391.db2.gz GUBKAOLYNDVFTJ-PJXYFTJBSA-N -1 1 382.384 0.261 20 0 GCADMM COCc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)o1 ZINC001571194129 952958392 /nfs/dbraw/zinc/95/83/92/952958392.db2.gz GUBKAOLYNDVFTJ-PJXYFTJBSA-N -1 1 382.384 0.261 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571194113 952958758 /nfs/dbraw/zinc/95/87/58/952958758.db2.gz ITIBXXMUFRMAGO-MWLCHTKSSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571194113 952958763 /nfs/dbraw/zinc/95/87/63/952958763.db2.gz ITIBXXMUFRMAGO-MWLCHTKSSA-N -1 1 382.388 0.028 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C1 ZINC001571194369 952961699 /nfs/dbraw/zinc/96/16/99/952961699.db2.gz MSWQCLVRLDNQQU-GARJFASQSA-N -1 1 382.388 0.393 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C1 ZINC001571194369 952961701 /nfs/dbraw/zinc/96/17/01/952961701.db2.gz MSWQCLVRLDNQQU-GARJFASQSA-N -1 1 382.388 0.393 20 0 GCADMM O=C(Nc1ccnnc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001571194485 952963375 /nfs/dbraw/zinc/96/33/75/952963375.db2.gz NOPRXLZFLIQEDD-UHFFFAOYSA-N -1 1 382.388 0.876 20 0 GCADMM O=C(c1cnon1)N1CCC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001571194560 952964002 /nfs/dbraw/zinc/96/40/02/952964002.db2.gz OLUPHWGYOITTSJ-MFKMUULPSA-N -1 1 382.388 0.171 20 0 GCADMM O=C(c1cnon1)N1CCC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571194560 952964007 /nfs/dbraw/zinc/96/40/07/952964007.db2.gz OLUPHWGYOITTSJ-MFKMUULPSA-N -1 1 382.388 0.171 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cn[nH]c(=O)c1 ZINC001571194511 952964857 /nfs/dbraw/zinc/96/48/57/952964857.db2.gz NRECJHLZEXHGMT-GHMZBOCLSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cn[nH]c(=O)c1 ZINC001571194511 952964865 /nfs/dbraw/zinc/96/48/65/952964865.db2.gz NRECJHLZEXHGMT-GHMZBOCLSA-N -1 1 382.388 0.305 20 0 GCADMM Cc1n[nH]c(=O)c(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571194609 952965529 /nfs/dbraw/zinc/96/55/29/952965529.db2.gz QCNLFSPMINPIGK-JTQLQIEISA-N -1 1 382.388 0.096 20 0 GCADMM Cc1n[nH]c(=O)c(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571194609 952965534 /nfs/dbraw/zinc/96/55/34/952965534.db2.gz QCNLFSPMINPIGK-JTQLQIEISA-N -1 1 382.388 0.096 20 0 GCADMM C[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571194631 952966277 /nfs/dbraw/zinc/96/62/77/952966277.db2.gz PFMQMNIFBHCJRK-INIZCTEOSA-N -1 1 382.388 0.117 20 0 GCADMM C[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571194631 952966281 /nfs/dbraw/zinc/96/62/81/952966281.db2.gz PFMQMNIFBHCJRK-INIZCTEOSA-N -1 1 382.388 0.117 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194755 952968101 /nfs/dbraw/zinc/96/81/01/952968101.db2.gz RYQIFBTZAFZWKG-SNVBAGLBSA-N -1 1 382.388 0.117 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194755 952968104 /nfs/dbraw/zinc/96/81/04/952968104.db2.gz RYQIFBTZAFZWKG-SNVBAGLBSA-N -1 1 382.388 0.117 20 0 GCADMM COc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)nn1 ZINC001571194810 952968158 /nfs/dbraw/zinc/96/81/58/952968158.db2.gz UBFSZCPKWWMUDI-NXEZZACHSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)nn1 ZINC001571194810 952968160 /nfs/dbraw/zinc/96/81/60/952968160.db2.gz UBFSZCPKWWMUDI-NXEZZACHSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)nn1 ZINC001571194812 952968545 /nfs/dbraw/zinc/96/85/45/952968545.db2.gz UBFSZCPKWWMUDI-VHSXEESVSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)nn1 ZINC001571194812 952968553 /nfs/dbraw/zinc/96/85/53/952968553.db2.gz UBFSZCPKWWMUDI-VHSXEESVSA-N -1 1 382.388 0.170 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194833 952969367 /nfs/dbraw/zinc/96/93/67/952969367.db2.gz SJODTJJSXBKCPN-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194833 952969372 /nfs/dbraw/zinc/96/93/72/952969372.db2.gz SJODTJJSXBKCPN-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(C)(C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001571194872 952969792 /nfs/dbraw/zinc/96/97/92/952969792.db2.gz UMOPLPKBUKDOTG-VIFPVBQESA-N -1 1 382.375 0.587 20 0 GCADMM CC(C)(C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001571194872 952969800 /nfs/dbraw/zinc/96/98/00/952969800.db2.gz UMOPLPKBUKDOTG-VIFPVBQESA-N -1 1 382.375 0.587 20 0 GCADMM O=C(NC1CC(CNC(=O)c2ncccc2[O-])C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571195042 952972914 /nfs/dbraw/zinc/97/29/14/952972914.db2.gz WTYHMVNIHMINRR-UHFFFAOYSA-N -1 1 382.384 0.234 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)ncn1 ZINC001571195181 952975370 /nfs/dbraw/zinc/97/53/70/952975370.db2.gz YXRFNIAUOOGNIN-NXEZZACHSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)ncn1 ZINC001571195181 952975377 /nfs/dbraw/zinc/97/53/77/952975377.db2.gz YXRFNIAUOOGNIN-NXEZZACHSA-N -1 1 382.388 0.170 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001571199488 953001025 /nfs/dbraw/zinc/00/10/25/953001025.db2.gz SPDAKXWGSKSYEK-FYPHCDFOSA-N -1 1 382.428 0.083 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001571199488 953001028 /nfs/dbraw/zinc/00/10/28/953001028.db2.gz SPDAKXWGSKSYEK-FYPHCDFOSA-N -1 1 382.428 0.083 20 0 GCADMM CCCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571204558 953029917 /nfs/dbraw/zinc/02/99/17/953029917.db2.gz AZTPPGLKJBBWPV-BXUZGUMPSA-N -1 1 382.432 0.836 20 0 GCADMM CCCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571204558 953029920 /nfs/dbraw/zinc/02/99/20/953029920.db2.gz AZTPPGLKJBBWPV-BXUZGUMPSA-N -1 1 382.432 0.836 20 0 GCADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2cncn2C)CC1 ZINC001571204593 953030011 /nfs/dbraw/zinc/03/00/11/953030011.db2.gz BKZUIVDCQSMQTL-UHFFFAOYSA-N -1 1 382.432 0.887 20 0 GCADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2cncn2C)CC1 ZINC001571204593 953030016 /nfs/dbraw/zinc/03/00/16/953030016.db2.gz BKZUIVDCQSMQTL-UHFFFAOYSA-N -1 1 382.432 0.887 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571204540 953030187 /nfs/dbraw/zinc/03/01/87/953030187.db2.gz AOVQXPZGVFRKKQ-XYPYZODXSA-N -1 1 382.432 0.634 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571204540 953030189 /nfs/dbraw/zinc/03/01/89/953030189.db2.gz AOVQXPZGVFRKKQ-XYPYZODXSA-N -1 1 382.432 0.634 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001571204532 953030287 /nfs/dbraw/zinc/03/02/87/953030287.db2.gz AHKOLXMVERXXEZ-PWSUYJOCSA-N -1 1 382.432 0.586 20 0 GCADMM CCc1c[nH]c(CC(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571204605 953031085 /nfs/dbraw/zinc/03/10/85/953031085.db2.gz BMOMFIFCRCGXON-UHFFFAOYSA-N -1 1 382.432 0.270 20 0 GCADMM CCc1c[nH]c(CC(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571204605 953031089 /nfs/dbraw/zinc/03/10/89/953031089.db2.gz BMOMFIFCRCGXON-UHFFFAOYSA-N -1 1 382.432 0.270 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571204849 953032068 /nfs/dbraw/zinc/03/20/68/953032068.db2.gz CXBQJUYKBNWOPO-YPMHNXCESA-N -1 1 382.432 0.165 20 0 GCADMM CCCc1n[nH]cc1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571204894 953033598 /nfs/dbraw/zinc/03/35/98/953033598.db2.gz FHJUVMOEAILNDN-UHFFFAOYSA-N -1 1 382.432 0.685 20 0 GCADMM CCCc1n[nH]cc1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571204894 953033603 /nfs/dbraw/zinc/03/36/03/953033603.db2.gz FHJUVMOEAILNDN-UHFFFAOYSA-N -1 1 382.432 0.685 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)c3cn(C)cn3)C2)n1 ZINC001571204920 953033928 /nfs/dbraw/zinc/03/39/28/953033928.db2.gz FULWHVZUQQDTJW-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)c3cn(C)cn3)C2)n1 ZINC001571204920 953033933 /nfs/dbraw/zinc/03/39/33/953033933.db2.gz FULWHVZUQQDTJW-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM CCc1c(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571204873 953034208 /nfs/dbraw/zinc/03/42/08/953034208.db2.gz DMRCWNCWYQKSMX-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM CCc1c(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571204873 953034209 /nfs/dbraw/zinc/03/42/09/953034209.db2.gz DMRCWNCWYQKSMX-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571205015 953035361 /nfs/dbraw/zinc/03/53/61/953035361.db2.gz FNJMYMLMYJHHEK-ROVZXEPSSA-N -1 1 382.428 0.119 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571205015 953035364 /nfs/dbraw/zinc/03/53/64/953035364.db2.gz FNJMYMLMYJHHEK-ROVZXEPSSA-N -1 1 382.428 0.119 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205147 953035654 /nfs/dbraw/zinc/03/56/54/953035654.db2.gz GMOHFIUKCRZMMQ-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205147 953035660 /nfs/dbraw/zinc/03/56/60/953035660.db2.gz GMOHFIUKCRZMMQ-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571205134 953035717 /nfs/dbraw/zinc/03/57/17/953035717.db2.gz FYZGAAPMSPANHG-ZDUSSCGKSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571205134 953035722 /nfs/dbraw/zinc/03/57/22/953035722.db2.gz FYZGAAPMSPANHG-ZDUSSCGKSA-N -1 1 382.432 0.690 20 0 GCADMM CCCc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571205138 953035864 /nfs/dbraw/zinc/03/58/64/953035864.db2.gz FZQNMQMJRZKSON-YGRLFVJLSA-N -1 1 382.432 0.905 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205148 953036118 /nfs/dbraw/zinc/03/61/18/953036118.db2.gz GMOHFIUKCRZMMQ-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205148 953036123 /nfs/dbraw/zinc/03/61/23/953036123.db2.gz GMOHFIUKCRZMMQ-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205200 953037324 /nfs/dbraw/zinc/03/73/24/953037324.db2.gz HIGXPUDMLNJZCF-LLVKDONJSA-N -1 1 382.432 0.683 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571205449 953037991 /nfs/dbraw/zinc/03/79/91/953037991.db2.gz JDMZMKOBLOUBCN-NWDGAFQWSA-N -1 1 382.432 0.400 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571205450 953038153 /nfs/dbraw/zinc/03/81/53/953038153.db2.gz JDMZMKOBLOUBCN-RYUDHWBXSA-N -1 1 382.432 0.400 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cn1 ZINC001571205468 953038852 /nfs/dbraw/zinc/03/88/52/953038852.db2.gz JMJXBRIBSRUBRQ-DGCLKSJQSA-N -1 1 382.432 0.978 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cn1 ZINC001571205468 953038858 /nfs/dbraw/zinc/03/88/58/953038858.db2.gz JMJXBRIBSRUBRQ-DGCLKSJQSA-N -1 1 382.432 0.978 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571205464 953039126 /nfs/dbraw/zinc/03/91/26/953039126.db2.gz JLQSLVSRKHIQPS-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CN(C(=O)c2cncn2C)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205652 953039999 /nfs/dbraw/zinc/03/99/99/953039999.db2.gz MMVONTGYISVJJI-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CN(C(=O)c2cncn2C)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205652 953040001 /nfs/dbraw/zinc/04/00/01/953040001.db2.gz MMVONTGYISVJJI-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571205638 953040442 /nfs/dbraw/zinc/04/04/42/953040442.db2.gz MHJSCVNYGWLBED-YPMHNXCESA-N -1 1 382.432 0.884 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571205638 953040446 /nfs/dbraw/zinc/04/04/46/953040446.db2.gz MHJSCVNYGWLBED-YPMHNXCESA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001571205803 953042685 /nfs/dbraw/zinc/04/26/85/953042685.db2.gz MFVHVOSBDZRVBC-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001571205803 953042687 /nfs/dbraw/zinc/04/26/87/953042687.db2.gz MFVHVOSBDZRVBC-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H]1CN(C(=O)Cn2ccnc2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205989 953045077 /nfs/dbraw/zinc/04/50/77/953045077.db2.gz QEPCWDOWESCWRP-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571205969 953045309 /nfs/dbraw/zinc/04/53/09/953045309.db2.gz PHAVBDHTTAVECI-LBPRGKRZSA-N -1 1 382.432 0.756 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571205969 953045311 /nfs/dbraw/zinc/04/53/11/953045311.db2.gz PHAVBDHTTAVECI-LBPRGKRZSA-N -1 1 382.432 0.756 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205997 953045781 /nfs/dbraw/zinc/04/57/81/953045781.db2.gz QNYQBOAEIKZIJM-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205997 953045786 /nfs/dbraw/zinc/04/57/86/953045786.db2.gz QNYQBOAEIKZIJM-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206008 953046018 /nfs/dbraw/zinc/04/60/18/953046018.db2.gz QSNBEFIMDACFJO-GHMZBOCLSA-N -1 1 382.432 0.517 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571206026 953046163 /nfs/dbraw/zinc/04/61/63/953046163.db2.gz QYHSVABTGPIHLR-KRWDZBQOSA-N -1 1 382.432 0.663 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571206026 953046165 /nfs/dbraw/zinc/04/61/65/953046165.db2.gz QYHSVABTGPIHLR-KRWDZBQOSA-N -1 1 382.432 0.663 20 0 GCADMM CCc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205995 953046246 /nfs/dbraw/zinc/04/62/46/953046246.db2.gz QKVQWUPXWUYPGG-NSHDSACASA-N -1 1 382.432 0.351 20 0 GCADMM CCn1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c(C)n1 ZINC001571206223 953047910 /nfs/dbraw/zinc/04/79/10/953047910.db2.gz SFKXLTBZGBWCSG-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c(C)n1 ZINC001571206223 953047915 /nfs/dbraw/zinc/04/79/15/953047915.db2.gz SFKXLTBZGBWCSG-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)n(C)n1 ZINC001571206163 953047962 /nfs/dbraw/zinc/04/79/62/953047962.db2.gz RYMZOEOGPZNEMF-PWSUYJOCSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)n(C)n1 ZINC001571206163 953047968 /nfs/dbraw/zinc/04/79/68/953047968.db2.gz RYMZOEOGPZNEMF-PWSUYJOCSA-N -1 1 382.432 0.668 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206156 953048152 /nfs/dbraw/zinc/04/81/52/953048152.db2.gz DQAAKLXTHRMFBC-PWSUYJOCSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206156 953048154 /nfs/dbraw/zinc/04/81/54/953048154.db2.gz DQAAKLXTHRMFBC-PWSUYJOCSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3cnn(C)c3)CC[C@@H]2C)n1 ZINC001571206182 953048271 /nfs/dbraw/zinc/04/82/71/953048271.db2.gz DTBOBCBPEBWFLT-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3cnn(C)c3)CC[C@@H]2C)n1 ZINC001571206182 953048273 /nfs/dbraw/zinc/04/82/73/953048273.db2.gz DTBOBCBPEBWFLT-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM Cc1c[nH]c(C(=O)N2CCC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571206194 953048429 /nfs/dbraw/zinc/04/84/29/953048429.db2.gz DVGKHAVDDJZUQF-GFCCVEGCSA-N -1 1 382.432 0.677 20 0 GCADMM Cc1c[nH]c(C(=O)N2CCC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571206194 953048431 /nfs/dbraw/zinc/04/84/31/953048431.db2.gz DVGKHAVDDJZUQF-GFCCVEGCSA-N -1 1 382.432 0.677 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206257 953049455 /nfs/dbraw/zinc/04/94/55/953049455.db2.gz SQCSFRJFMLDHBY-ZYHUDNBSSA-N -1 1 382.432 0.730 20 0 GCADMM CCN(C(=O)c1cc(C)nn1C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206446 953050957 /nfs/dbraw/zinc/05/09/57/953050957.db2.gz UQTXGWYQIYWLLY-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CCc2cnn(C)c2)C1 ZINC001571206425 953051248 /nfs/dbraw/zinc/05/12/48/953051248.db2.gz GUXMWEDFOXHHOB-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)CCc2cnn(C)c2)C1 ZINC001571206425 953051250 /nfs/dbraw/zinc/05/12/50/953051250.db2.gz GUXMWEDFOXHHOB-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206442 953051348 /nfs/dbraw/zinc/05/13/48/953051348.db2.gz GZCUFVQRSBHMLB-NEPJUHHUSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206442 953051351 /nfs/dbraw/zinc/05/13/51/953051351.db2.gz GZCUFVQRSBHMLB-NEPJUHHUSA-N -1 1 382.432 0.884 20 0 GCADMM CC(C)c1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)nn1C ZINC001571206521 953052283 /nfs/dbraw/zinc/05/22/83/953052283.db2.gz QOSJAMBGZYEMSP-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)nn1C ZINC001571206521 953052285 /nfs/dbraw/zinc/05/22/85/953052285.db2.gz QOSJAMBGZYEMSP-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571206577 953052972 /nfs/dbraw/zinc/05/29/72/953052972.db2.gz IIBIYLGDWYBGJG-PWSUYJOCSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571206577 953052977 /nfs/dbraw/zinc/05/29/77/953052977.db2.gz IIBIYLGDWYBGJG-PWSUYJOCSA-N -1 1 382.432 0.899 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1=CCOCC1 ZINC001571206589 953053028 /nfs/dbraw/zinc/05/30/28/953053028.db2.gz RETKPOJFWVGVTM-CQSZACIVSA-N -1 1 382.428 0.479 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1=CCOCC1 ZINC001571206589 953053032 /nfs/dbraw/zinc/05/30/32/953053032.db2.gz RETKPOJFWVGVTM-CQSZACIVSA-N -1 1 382.428 0.479 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206698 953053629 /nfs/dbraw/zinc/05/36/29/953053629.db2.gz JLNKWFIEGCEJJU-NEPJUHHUSA-N -1 1 382.432 0.306 20 0 GCADMM CCn1nccc1C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206686 953053764 /nfs/dbraw/zinc/05/37/64/953053764.db2.gz JDOSUKMNOZVSGY-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1nccc1C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206686 953053766 /nfs/dbraw/zinc/05/37/66/953053766.db2.gz JDOSUKMNOZVSGY-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCc1nn(C)cc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571206660 953054276 /nfs/dbraw/zinc/05/42/76/953054276.db2.gz VXHJEGWKXIOPOO-GHMZBOCLSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571206660 953054280 /nfs/dbraw/zinc/05/42/80/953054280.db2.gz VXHJEGWKXIOPOO-GHMZBOCLSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571206676 953054395 /nfs/dbraw/zinc/05/43/95/953054395.db2.gz WBNIXADYHPNEKW-ZYHUDNBSSA-N -1 1 382.432 0.375 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1ccn(C)n1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571206838 953056079 /nfs/dbraw/zinc/05/60/79/953056079.db2.gz LFXUHDNFPKVITP-LBPRGKRZSA-N -1 1 382.432 0.521 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1ccn(C)n1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571206838 953056083 /nfs/dbraw/zinc/05/60/83/953056083.db2.gz LFXUHDNFPKVITP-LBPRGKRZSA-N -1 1 382.432 0.521 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206828 953056089 /nfs/dbraw/zinc/05/60/89/953056089.db2.gz XRBYQTCUSBUCGL-LLVKDONJSA-N -1 1 382.432 0.541 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)[nH]n1 ZINC001571206843 953056466 /nfs/dbraw/zinc/05/64/66/953056466.db2.gz XXWMKBVMNGNISX-CMPLNLGQSA-N -1 1 382.432 0.953 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001571206843 953056468 /nfs/dbraw/zinc/05/64/68/953056468.db2.gz XXWMKBVMNGNISX-CMPLNLGQSA-N -1 1 382.432 0.953 20 0 GCADMM CC(C)Cn1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571206917 953057672 /nfs/dbraw/zinc/05/76/72/953057672.db2.gz SYZQGCBIPNGJPQ-GFCCVEGCSA-N -1 1 382.432 0.836 20 0 GCADMM CC(C)Cn1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571206917 953057675 /nfs/dbraw/zinc/05/76/75/953057675.db2.gz SYZQGCBIPNGJPQ-GFCCVEGCSA-N -1 1 382.432 0.836 20 0 GCADMM CCc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207027 953057843 /nfs/dbraw/zinc/05/78/43/953057843.db2.gz ZXHQVVKMAHGZEC-WDEREUQCSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206989 953058008 /nfs/dbraw/zinc/05/80/08/953058008.db2.gz YZQZYCWJCFNRAE-OCCSQVGLSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccnn2C)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571207004 953058316 /nfs/dbraw/zinc/05/83/16/953058316.db2.gz ZOIUWUQRUGBXGG-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccnn2C)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571207004 953058320 /nfs/dbraw/zinc/05/83/20/953058320.db2.gz ZOIUWUQRUGBXGG-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1=COCCC1 ZINC001571206953 953058426 /nfs/dbraw/zinc/05/84/26/953058426.db2.gz USPVCADCQXFEPN-OLZOCXBDSA-N -1 1 382.428 0.612 20 0 GCADMM Cc1[nH]nc(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)c1C ZINC001571207143 953059778 /nfs/dbraw/zinc/05/97/78/953059778.db2.gz NRRDKWQBLGEBBL-LBPRGKRZSA-N -1 1 382.432 0.786 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1=CCOCC1 ZINC001571207119 953060135 /nfs/dbraw/zinc/06/01/35/953060135.db2.gz VZEZUYRIMQXAGR-AGUYFDCRSA-N -1 1 382.428 0.619 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1=CCOCC1 ZINC001571207119 953060136 /nfs/dbraw/zinc/06/01/36/953060136.db2.gz VZEZUYRIMQXAGR-AGUYFDCRSA-N -1 1 382.428 0.619 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207169 953060242 /nfs/dbraw/zinc/06/02/42/953060242.db2.gz WPWIBPHWHQSBOE-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001571207159 953060331 /nfs/dbraw/zinc/06/03/31/953060331.db2.gz WJYOAWXZPUCFRK-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001571207159 953060334 /nfs/dbraw/zinc/06/03/34/953060334.db2.gz WJYOAWXZPUCFRK-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571207266 953060741 /nfs/dbraw/zinc/06/07/41/953060741.db2.gz PFNOUNVRDIUVPM-VXGBXAGGSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571207266 953060743 /nfs/dbraw/zinc/06/07/43/953060743.db2.gz PFNOUNVRDIUVPM-VXGBXAGGSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1nccc1C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571207258 953061425 /nfs/dbraw/zinc/06/14/25/953061425.db2.gz PDHGORUQWJBBFX-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1nccc1C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571207258 953061427 /nfs/dbraw/zinc/06/14/27/953061427.db2.gz PDHGORUQWJBBFX-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571207288 953061897 /nfs/dbraw/zinc/06/18/97/953061897.db2.gz PNTJWQYHOOOHDF-MFKMUULPSA-N -1 1 382.432 0.463 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571207308 953062010 /nfs/dbraw/zinc/06/20/10/953062010.db2.gz QGCIZXMXXCFYPN-UHFFFAOYSA-N -1 1 382.432 0.677 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571207300 953062056 /nfs/dbraw/zinc/06/20/56/953062056.db2.gz PYOAYTBAHMUEJI-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571207300 953062059 /nfs/dbraw/zinc/06/20/59/953062059.db2.gz PYOAYTBAHMUEJI-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CC(C)c1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1C ZINC001571207384 953062781 /nfs/dbraw/zinc/06/27/81/953062781.db2.gz ZDWHFLZGJCGRSQ-NSHDSACASA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1C ZINC001571207384 953062784 /nfs/dbraw/zinc/06/27/84/953062784.db2.gz ZDWHFLZGJCGRSQ-NSHDSACASA-N -1 1 382.432 0.840 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571207422 953062855 /nfs/dbraw/zinc/06/28/55/953062855.db2.gz RGNRHUIPTMRZDP-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571207422 953062857 /nfs/dbraw/zinc/06/28/57/953062857.db2.gz RGNRHUIPTMRZDP-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571207423 953062915 /nfs/dbraw/zinc/06/29/15/953062915.db2.gz RGNRHUIPTMRZDP-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571207423 953062918 /nfs/dbraw/zinc/06/29/18/953062918.db2.gz RGNRHUIPTMRZDP-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM Cc1c(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)cnn1C ZINC001571207406 953063011 /nfs/dbraw/zinc/06/30/11/953063011.db2.gz QXXZVIBUSJZYDP-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1c(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)cnn1C ZINC001571207406 953063015 /nfs/dbraw/zinc/06/30/15/953063015.db2.gz QXXZVIBUSJZYDP-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1cc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(C)n1 ZINC001571207481 953063426 /nfs/dbraw/zinc/06/34/26/953063426.db2.gz UADHHSQGGMAPMU-UHFFFAOYSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1cc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(C)n1 ZINC001571207481 953063430 /nfs/dbraw/zinc/06/34/30/953063430.db2.gz UADHHSQGGMAPMU-UHFFFAOYSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@@H](NC(=O)c3cnn(C)c3)C2)n1 ZINC001571207511 953063894 /nfs/dbraw/zinc/06/38/94/953063894.db2.gz VHDDAZMKASMVNS-DGCLKSJQSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@@H](NC(=O)c3cnn(C)c3)C2)n1 ZINC001571207511 953063897 /nfs/dbraw/zinc/06/38/97/953063897.db2.gz VHDDAZMKASMVNS-DGCLKSJQSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@H](NC(=O)c3cnn(C)c3)C2)n1 ZINC001571207513 953064151 /nfs/dbraw/zinc/06/41/51/953064151.db2.gz VHDDAZMKASMVNS-YPMHNXCESA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@H](NC(=O)c3cnn(C)c3)C2)n1 ZINC001571207513 953064154 /nfs/dbraw/zinc/06/41/54/953064154.db2.gz VHDDAZMKASMVNS-YPMHNXCESA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207566 953064198 /nfs/dbraw/zinc/06/41/98/953064198.db2.gz WZINHUFSWVBAOQ-GFCCVEGCSA-N -1 1 382.432 0.581 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207566 953064201 /nfs/dbraw/zinc/06/42/01/953064201.db2.gz WZINHUFSWVBAOQ-GFCCVEGCSA-N -1 1 382.432 0.581 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)c1C ZINC001571207529 953064418 /nfs/dbraw/zinc/06/44/18/953064418.db2.gz VRCAIZQDTKJCDK-LBPRGKRZSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)c1C ZINC001571207529 953064421 /nfs/dbraw/zinc/06/44/21/953064421.db2.gz VRCAIZQDTKJCDK-LBPRGKRZSA-N -1 1 382.432 0.738 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571207518 953064555 /nfs/dbraw/zinc/06/45/55/953064555.db2.gz VJXSRBCPRHABTA-GFCCVEGCSA-N -1 1 382.432 0.472 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571207518 953064557 /nfs/dbraw/zinc/06/45/57/953064557.db2.gz VJXSRBCPRHABTA-GFCCVEGCSA-N -1 1 382.432 0.472 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1C ZINC001571207665 953065031 /nfs/dbraw/zinc/06/50/31/953065031.db2.gz ZLBBWZUUUMLYPC-NEPJUHHUSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1C ZINC001571207665 953065034 /nfs/dbraw/zinc/06/50/34/953065034.db2.gz ZLBBWZUUUMLYPC-NEPJUHHUSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1c(CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)cnn1C ZINC001571207662 953065039 /nfs/dbraw/zinc/06/50/39/953065039.db2.gz ZHZBYMJWQNPPDR-CYBMUJFWSA-N -1 1 382.432 0.344 20 0 GCADMM Cc1c(CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)cnn1C ZINC001571207662 953065042 /nfs/dbraw/zinc/06/50/42/953065042.db2.gz ZHZBYMJWQNPPDR-CYBMUJFWSA-N -1 1 382.432 0.344 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)c1C ZINC001571207605 953065238 /nfs/dbraw/zinc/06/52/38/953065238.db2.gz XUHFHRVYLYHRGM-YPMHNXCESA-N -1 1 382.432 0.897 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)c1C ZINC001571207605 953065240 /nfs/dbraw/zinc/06/52/40/953065240.db2.gz XUHFHRVYLYHRGM-YPMHNXCESA-N -1 1 382.432 0.897 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cn1 ZINC001571207653 953065477 /nfs/dbraw/zinc/06/54/77/953065477.db2.gz ZBFQGLMTPHQHQT-YPMHNXCESA-N -1 1 382.432 0.517 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cn1 ZINC001571207653 953065479 /nfs/dbraw/zinc/06/54/79/953065479.db2.gz ZBFQGLMTPHQHQT-YPMHNXCESA-N -1 1 382.432 0.517 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)c1C ZINC001571207666 953065545 /nfs/dbraw/zinc/06/55/45/953065545.db2.gz ZLBBWZUUUMLYPC-NWDGAFQWSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)c1C ZINC001571207666 953065547 /nfs/dbraw/zinc/06/55/47/953065547.db2.gz ZLBBWZUUUMLYPC-NWDGAFQWSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001571207630 953065597 /nfs/dbraw/zinc/06/55/97/953065597.db2.gz YJKFOZUBUGQCOF-JQWIXIFHSA-N -1 1 382.432 0.722 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571209642 953065854 /nfs/dbraw/zinc/06/58/54/953065854.db2.gz ADSYZHCIFLUTSC-JOCQHMNTSA-N -1 1 382.432 0.640 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571209642 953065857 /nfs/dbraw/zinc/06/58/57/953065857.db2.gz ADSYZHCIFLUTSC-JOCQHMNTSA-N -1 1 382.432 0.640 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001571207675 953066129 /nfs/dbraw/zinc/06/61/29/953066129.db2.gz ZOWQEKBLRJXNTC-DGCLKSJQSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001571207675 953066131 /nfs/dbraw/zinc/06/61/31/953066131.db2.gz ZOWQEKBLRJXNTC-DGCLKSJQSA-N -1 1 382.432 0.660 20 0 GCADMM CN(CCNC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571209761 953066724 /nfs/dbraw/zinc/06/67/24/953066724.db2.gz CXCWPBSENRPZNX-UHFFFAOYSA-N -1 1 382.450 0.989 20 0 GCADMM CN(CCNC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571209761 953066725 /nfs/dbraw/zinc/06/67/25/953066725.db2.gz CXCWPBSENRPZNX-UHFFFAOYSA-N -1 1 382.450 0.989 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571209835 953068059 /nfs/dbraw/zinc/06/80/59/953068059.db2.gz GFGUQUWZQNMPCH-GFCCVEGCSA-N -1 1 382.432 0.085 20 0 GCADMM Cn1nccc1CCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571209948 953069809 /nfs/dbraw/zinc/06/98/09/953069809.db2.gz JYHQTMCQRUJKGE-GFCCVEGCSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1nccc1CCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571209948 953069812 /nfs/dbraw/zinc/06/98/12/953069812.db2.gz JYHQTMCQRUJKGE-GFCCVEGCSA-N -1 1 382.432 0.426 20 0 GCADMM O=C(Cn1ccnc1)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571210218 953071258 /nfs/dbraw/zinc/07/12/58/953071258.db2.gz ONGRSDDGPXWAJX-QWHCGFSZSA-N -1 1 382.432 0.640 20 0 GCADMM Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211459 953076055 /nfs/dbraw/zinc/07/60/55/953076055.db2.gz BEUCNRAMVRXMJB-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211459 953076061 /nfs/dbraw/zinc/07/60/61/953076061.db2.gz BEUCNRAMVRXMJB-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3nccnc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571211421 953076156 /nfs/dbraw/zinc/07/61/56/953076156.db2.gz AKMKDWWLBHXFOO-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3nccnc3-c3nn[n-]n3)C2)n(C)n1 ZINC001571211421 953076161 /nfs/dbraw/zinc/07/61/61/953076161.db2.gz AKMKDWWLBHXFOO-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cn1ccc(CC(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571211414 953076254 /nfs/dbraw/zinc/07/62/54/953076254.db2.gz AIHFZDJINJSPCI-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1ccc(CC(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571211414 953076259 /nfs/dbraw/zinc/07/62/59/953076259.db2.gz AIHFZDJINJSPCI-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1nn(C)cc1C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571211423 953076664 /nfs/dbraw/zinc/07/66/64/953076664.db2.gz AKQAOIGNBVRLAO-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1nn(C)cc1C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571211423 953076666 /nfs/dbraw/zinc/07/66/66/953076666.db2.gz AKQAOIGNBVRLAO-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571211458 953076690 /nfs/dbraw/zinc/07/66/90/953076690.db2.gz BEOOAWLDPCRZPY-LBPRGKRZSA-N -1 1 382.432 0.745 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571211458 953076693 /nfs/dbraw/zinc/07/66/93/953076693.db2.gz BEOOAWLDPCRZPY-LBPRGKRZSA-N -1 1 382.432 0.745 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571211436 953076753 /nfs/dbraw/zinc/07/67/53/953076753.db2.gz AOCJLXDAXVPOIT-ZDUSSCGKSA-N -1 1 382.432 0.255 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571211436 953076756 /nfs/dbraw/zinc/07/67/56/953076756.db2.gz AOCJLXDAXVPOIT-ZDUSSCGKSA-N -1 1 382.432 0.255 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001571211504 953077096 /nfs/dbraw/zinc/07/70/96/953077096.db2.gz BYSHCWKVBVMIJA-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)n1 ZINC001571211489 953077768 /nfs/dbraw/zinc/07/77/68/953077768.db2.gz BSADETGJCQKCIB-CYBMUJFWSA-N -1 1 382.432 0.425 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)n1 ZINC001571211489 953077771 /nfs/dbraw/zinc/07/77/71/953077771.db2.gz BSADETGJCQKCIB-CYBMUJFWSA-N -1 1 382.432 0.425 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571211645 953079187 /nfs/dbraw/zinc/07/91/87/953079187.db2.gz DPXBXEYFZDUQMC-HAQNSBGRSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571211645 953079191 /nfs/dbraw/zinc/07/91/91/953079191.db2.gz DPXBXEYFZDUQMC-HAQNSBGRSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211658 953079656 /nfs/dbraw/zinc/07/96/56/953079656.db2.gz DYGCYKKOIXUFBH-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211658 953079659 /nfs/dbraw/zinc/07/96/59/953079659.db2.gz DYGCYKKOIXUFBH-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211675 953079773 /nfs/dbraw/zinc/07/97/73/953079773.db2.gz FIJSZIRLOOFHLB-NWDGAFQWSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211675 953079775 /nfs/dbraw/zinc/07/97/75/953079775.db2.gz FIJSZIRLOOFHLB-NWDGAFQWSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001571211843 953081868 /nfs/dbraw/zinc/08/18/68/953081868.db2.gz HCFPNJASCGQTFE-YPMHNXCESA-N -1 1 382.432 0.641 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001571211843 953081875 /nfs/dbraw/zinc/08/18/75/953081875.db2.gz HCFPNJASCGQTFE-YPMHNXCESA-N -1 1 382.432 0.641 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212125 953084324 /nfs/dbraw/zinc/08/43/24/953084324.db2.gz JJCWVQBYIOHMIU-HAQNSBGRSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212125 953084328 /nfs/dbraw/zinc/08/43/28/953084328.db2.gz JJCWVQBYIOHMIU-HAQNSBGRSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571212337 953086583 /nfs/dbraw/zinc/08/65/83/953086583.db2.gz MALJKMAHGDLNGF-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571212337 953086585 /nfs/dbraw/zinc/08/65/85/953086585.db2.gz MALJKMAHGDLNGF-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571212345 953086792 /nfs/dbraw/zinc/08/67/92/953086792.db2.gz MBLOTGYLEHBQNS-LBPRGKRZSA-N -1 1 382.432 0.227 20 0 GCADMM Cn1cncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571212362 953086963 /nfs/dbraw/zinc/08/69/63/953086963.db2.gz MNLUMZINQQUKOL-CYBMUJFWSA-N -1 1 382.432 0.425 20 0 GCADMM Cn1cncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571212362 953086967 /nfs/dbraw/zinc/08/69/67/953086967.db2.gz MNLUMZINQQUKOL-CYBMUJFWSA-N -1 1 382.432 0.425 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212343 953087108 /nfs/dbraw/zinc/08/71/08/953087108.db2.gz MBDMBYYUPXHRLE-YGRLFVJLSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212343 953087110 /nfs/dbraw/zinc/08/71/10/953087110.db2.gz MBDMBYYUPXHRLE-YGRLFVJLSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571212340 953087492 /nfs/dbraw/zinc/08/74/92/953087492.db2.gz MBDMBYYUPXHRLE-HZMBPMFUSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571212340 953087496 /nfs/dbraw/zinc/08/74/96/953087496.db2.gz MBDMBYYUPXHRLE-HZMBPMFUSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571212404 953088131 /nfs/dbraw/zinc/08/81/31/953088131.db2.gz NWZATGNZVPVBII-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571212404 953088135 /nfs/dbraw/zinc/08/81/35/953088135.db2.gz NWZATGNZVPVBII-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1ccnn1CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571212375 953088267 /nfs/dbraw/zinc/08/82/67/953088267.db2.gz MXMUBRPTLTWFFJ-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1ccnn1CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571212375 953088273 /nfs/dbraw/zinc/08/82/73/953088273.db2.gz MXMUBRPTLTWFFJ-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cnn(CC(=O)N2C[C@H](C)[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571212790 953090210 /nfs/dbraw/zinc/09/02/10/953090210.db2.gz PCOBZFFSBTYWHP-STQMWFEESA-N -1 1 382.432 0.368 20 0 GCADMM Cc1cnn(CC(=O)N2C[C@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571212790 953090213 /nfs/dbraw/zinc/09/02/13/953090213.db2.gz PCOBZFFSBTYWHP-STQMWFEESA-N -1 1 382.432 0.368 20 0 GCADMM Cc1cnn(CC(=O)NC2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571212739 953090252 /nfs/dbraw/zinc/09/02/52/953090252.db2.gz OSMVFCGFMSRETA-UHFFFAOYSA-N -1 1 382.432 0.701 20 0 GCADMM Cc1cnn(CC(=O)NC2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571212739 953090254 /nfs/dbraw/zinc/09/02/54/953090254.db2.gz OSMVFCGFMSRETA-UHFFFAOYSA-N -1 1 382.432 0.701 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571212809 953090806 /nfs/dbraw/zinc/09/08/06/953090806.db2.gz PIYDYLFHAYORGU-UHFFFAOYSA-N -1 1 382.432 0.383 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571213051 953092298 /nfs/dbraw/zinc/09/22/98/953092298.db2.gz QEZILWVFPVCRGG-NEPJUHHUSA-N -1 1 382.432 0.791 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571213051 953092300 /nfs/dbraw/zinc/09/23/00/953092300.db2.gz QEZILWVFPVCRGG-NEPJUHHUSA-N -1 1 382.432 0.791 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)n1C ZINC001571213018 953092784 /nfs/dbraw/zinc/09/27/84/953092784.db2.gz PUFPHMLIMAXZOD-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)n1C ZINC001571213018 953092789 /nfs/dbraw/zinc/09/27/89/953092789.db2.gz PUFPHMLIMAXZOD-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cnn(CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571213193 953093073 /nfs/dbraw/zinc/09/30/73/953093073.db2.gz RTGVOGDDEUVTCT-CYBMUJFWSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1cnn(CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571213193 953093075 /nfs/dbraw/zinc/09/30/75/953093075.db2.gz RTGVOGDDEUVTCT-CYBMUJFWSA-N -1 1 382.432 0.655 20 0 GCADMM Cn1ccc(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)n1 ZINC001571213421 953093897 /nfs/dbraw/zinc/09/38/97/953093897.db2.gz SMQVFPWDUXCQDW-GFCCVEGCSA-N -1 1 382.432 0.569 20 0 GCADMM Cn1ccc(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)n1 ZINC001571213421 953093901 /nfs/dbraw/zinc/09/39/01/953093901.db2.gz SMQVFPWDUXCQDW-GFCCVEGCSA-N -1 1 382.432 0.569 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571213407 953094380 /nfs/dbraw/zinc/09/43/80/953094380.db2.gz SAXBOUSHGLHKTI-UHFFFAOYSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571213407 953094385 /nfs/dbraw/zinc/09/43/85/953094385.db2.gz SAXBOUSHGLHKTI-UHFFFAOYSA-N -1 1 382.432 0.805 20 0 GCADMM Cn1cc(CCC(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571213791 953097527 /nfs/dbraw/zinc/09/75/27/953097527.db2.gz VTHFFNJFDPUOOV-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cc(CCC(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571213791 953097532 /nfs/dbraw/zinc/09/75/32/953097532.db2.gz VTHFFNJFDPUOOV-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571213865 953098624 /nfs/dbraw/zinc/09/86/24/953098624.db2.gz XXKSZJTVGOWGHW-MFKMUULPSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571213865 953098626 /nfs/dbraw/zinc/09/86/26/953098626.db2.gz XXKSZJTVGOWGHW-MFKMUULPSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1cn(C)nc1C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571214119 953099142 /nfs/dbraw/zinc/09/91/42/953099142.db2.gz YJFHMGHAJJXOFE-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1cn(C)nc1C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571214119 953099146 /nfs/dbraw/zinc/09/91/46/953099146.db2.gz YJFHMGHAJJXOFE-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM Cn1ccc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571214118 953099379 /nfs/dbraw/zinc/09/93/79/953099379.db2.gz YIXNPIHNECSEOQ-ZDUSSCGKSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571214118 953099383 /nfs/dbraw/zinc/09/93/83/953099383.db2.gz YIXNPIHNECSEOQ-ZDUSSCGKSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571214132 953099614 /nfs/dbraw/zinc/09/96/14/953099614.db2.gz YLMOBHCYNBBNOH-CYBMUJFWSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571214132 953099618 /nfs/dbraw/zinc/09/96/18/953099618.db2.gz YLMOBHCYNBBNOH-CYBMUJFWSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1cc(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n(C)n1 ZINC001571214212 953100581 /nfs/dbraw/zinc/10/05/81/953100581.db2.gz ZGVZUKZOKGKJGU-UHFFFAOYSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cc(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n(C)n1 ZINC001571214212 953100583 /nfs/dbraw/zinc/10/05/83/953100583.db2.gz ZGVZUKZOKGKJGU-UHFFFAOYSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(CC(=O)N[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)c1 ZINC001571214272 953101010 /nfs/dbraw/zinc/10/10/10/953101010.db2.gz ZVUFWVXLYMKNMC-ZDUSSCGKSA-N -1 1 382.432 0.193 20 0 GCADMM Cc1cnn(CC(=O)N[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)c1 ZINC001571214272 953101013 /nfs/dbraw/zinc/10/10/13/953101013.db2.gz ZVUFWVXLYMKNMC-ZDUSSCGKSA-N -1 1 382.432 0.193 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)c1 ZINC001571214176 953101094 /nfs/dbraw/zinc/10/10/94/953101094.db2.gz YVYCBHVRQXPEPW-JSGCOSHPSA-N -1 1 382.432 0.511 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)c1 ZINC001571214176 953101098 /nfs/dbraw/zinc/10/10/98/953101098.db2.gz YVYCBHVRQXPEPW-JSGCOSHPSA-N -1 1 382.432 0.511 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571216682 953103347 /nfs/dbraw/zinc/10/33/47/953103347.db2.gz BMGPBDBKTSCBHM-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571216682 953103351 /nfs/dbraw/zinc/10/33/51/953103351.db2.gz BMGPBDBKTSCBHM-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM CCN(C(=O)c1ncccc1F)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571216669 953103761 /nfs/dbraw/zinc/10/37/61/953103761.db2.gz BDNZJMKJOQXSNS-LLVKDONJSA-N -1 1 383.391 0.932 20 0 GCADMM CCN(C(=O)c1ncccc1F)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571216669 953103764 /nfs/dbraw/zinc/10/37/64/953103764.db2.gz BDNZJMKJOQXSNS-LLVKDONJSA-N -1 1 383.391 0.932 20 0 GCADMM CCN(C(=O)c1ncccc1F)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571216670 953103830 /nfs/dbraw/zinc/10/38/30/953103830.db2.gz BDNZJMKJOQXSNS-NSHDSACASA-N -1 1 383.391 0.932 20 0 GCADMM CCN(C(=O)c1ncccc1F)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571216670 953103833 /nfs/dbraw/zinc/10/38/33/953103833.db2.gz BDNZJMKJOQXSNS-NSHDSACASA-N -1 1 383.391 0.932 20 0 GCADMM COc1cc(=O)[nH]cc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571217315 953107254 /nfs/dbraw/zinc/10/72/54/953107254.db2.gz IDGNKSUDAAHBCI-VIFPVBQESA-N -1 1 383.372 0.093 20 0 GCADMM COc1cc(=O)[nH]cc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571217315 953107256 /nfs/dbraw/zinc/10/72/56/953107256.db2.gz IDGNKSUDAAHBCI-VIFPVBQESA-N -1 1 383.372 0.093 20 0 GCADMM CCOC(=O)[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H](O)c1ccncc1 ZINC001571217636 953110173 /nfs/dbraw/zinc/11/01/73/953110173.db2.gz GOLQEUDJOWTKHQ-ZIAGYGMSSA-N -1 1 383.368 0.052 20 0 GCADMM CCOC(=O)[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H](O)c1ccncc1 ZINC001571217636 953110175 /nfs/dbraw/zinc/11/01/75/953110175.db2.gz GOLQEUDJOWTKHQ-ZIAGYGMSSA-N -1 1 383.368 0.052 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571217865 953111158 /nfs/dbraw/zinc/11/11/58/953111158.db2.gz QZCMCIPQFHFFLI-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)c1cncc(F)c1 ZINC001571218866 953120106 /nfs/dbraw/zinc/12/01/06/953120106.db2.gz FTANHTHCQCLYGH-ZYHUDNBSSA-N -1 1 383.391 0.693 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)c1cncc(F)c1 ZINC001571218866 953120108 /nfs/dbraw/zinc/12/01/08/953120108.db2.gz FTANHTHCQCLYGH-ZYHUDNBSSA-N -1 1 383.391 0.693 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3ncccc3F)C2)n1 ZINC001571219720 953126709 /nfs/dbraw/zinc/12/67/09/953126709.db2.gz QXBYHISNMHDRKK-LLVKDONJSA-N -1 1 383.391 0.898 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3ncccc3F)C2)n1 ZINC001571219720 953126711 /nfs/dbraw/zinc/12/67/11/953126711.db2.gz QXBYHISNMHDRKK-LLVKDONJSA-N -1 1 383.391 0.898 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)c3cc(C)no3)C2)n1 ZINC001571222025 953129100 /nfs/dbraw/zinc/12/91/00/953129100.db2.gz ADQIEHHBRPOWOR-NSHDSACASA-N -1 1 383.416 0.866 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)c3cc(C)no3)C2)n1 ZINC001571222025 953129105 /nfs/dbraw/zinc/12/91/05/953129105.db2.gz ADQIEHHBRPOWOR-NSHDSACASA-N -1 1 383.416 0.866 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)no1 ZINC001571222043 953130283 /nfs/dbraw/zinc/13/02/83/953130283.db2.gz ALBYKGJVPYDTFH-ZYHUDNBSSA-N -1 1 383.416 0.592 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571222074 953130388 /nfs/dbraw/zinc/13/03/88/953130388.db2.gz BFMKWCMIWICVEK-LLVKDONJSA-N -1 1 383.416 0.806 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571222074 953130392 /nfs/dbraw/zinc/13/03/92/953130392.db2.gz BFMKWCMIWICVEK-LLVKDONJSA-N -1 1 383.416 0.806 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)no1 ZINC001571222041 953130538 /nfs/dbraw/zinc/13/05/38/953130538.db2.gz ALBYKGJVPYDTFH-JQWIXIFHSA-N -1 1 383.416 0.592 20 0 GCADMM Cc1noc([C@@H]2OCC[C@@H]2NS(=O)(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001571222182 953131184 /nfs/dbraw/zinc/13/11/84/953131184.db2.gz DQFDCAJKICIQIK-IONNQARKSA-N -1 1 383.415 0.428 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](NC(=O)c3ccon3)CC[C@H]2C)n1 ZINC001571222163 953131263 /nfs/dbraw/zinc/13/12/63/953131263.db2.gz DJFNVEXXBCPQFU-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](NC(=O)c3ccon3)CC[C@H]2C)n1 ZINC001571222163 953131266 /nfs/dbraw/zinc/13/12/66/953131266.db2.gz DJFNVEXXBCPQFU-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571222112 953131665 /nfs/dbraw/zinc/13/16/65/953131665.db2.gz CLZLQUKTRVHSOG-YPMHNXCESA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571222112 953131666 /nfs/dbraw/zinc/13/16/66/953131666.db2.gz CLZLQUKTRVHSOG-YPMHNXCESA-N -1 1 383.416 0.784 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3nc(C)oc3C)C2)n1 ZINC001571222403 953134123 /nfs/dbraw/zinc/13/41/23/953134123.db2.gz HVVPJBRCZJBOQR-NSHDSACASA-N -1 1 383.416 0.833 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3nc(C)oc3C)C2)n1 ZINC001571222403 953134126 /nfs/dbraw/zinc/13/41/26/953134126.db2.gz HVVPJBRCZJBOQR-NSHDSACASA-N -1 1 383.416 0.833 20 0 GCADMM CCn1cccc1C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571222424 953134226 /nfs/dbraw/zinc/13/42/26/953134226.db2.gz FCZHEBUTUSAIQK-LBPRGKRZSA-N -1 1 383.416 0.113 20 0 GCADMM CCn1cccc1C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571222424 953134227 /nfs/dbraw/zinc/13/42/27/953134227.db2.gz FCZHEBUTUSAIQK-LBPRGKRZSA-N -1 1 383.416 0.113 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](NC(=O)Cc3cnc(C)o3)C2)cc(-c2nnn[n-]2)n1 ZINC001571222925 953140801 /nfs/dbraw/zinc/14/08/01/953140801.db2.gz NTQBQHLIOQRWQF-XYPYZODXSA-N -1 1 383.416 0.817 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](NC(=O)Cc3cnc(C)o3)C2)cc(-c2nn[n-]n2)n1 ZINC001571222925 953140803 /nfs/dbraw/zinc/14/08/03/953140803.db2.gz NTQBQHLIOQRWQF-XYPYZODXSA-N -1 1 383.416 0.817 20 0 GCADMM CCc1nc(C)c(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571223068 953141297 /nfs/dbraw/zinc/14/12/97/953141297.db2.gz PZWXRHYJINUHKA-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CCc1nc(C)c(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571223068 953141300 /nfs/dbraw/zinc/14/13/00/953141300.db2.gz PZWXRHYJINUHKA-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CCn1cccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001571223224 953142433 /nfs/dbraw/zinc/14/24/33/953142433.db2.gz QPKAXBVVSOKRPB-DGCLKSJQSA-N -1 1 383.416 0.112 20 0 GCADMM CCc1nc(C)c(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571223554 953145412 /nfs/dbraw/zinc/14/54/12/953145412.db2.gz VDNQQSGSRVOKRP-XYPYZODXSA-N -1 1 383.416 0.558 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)co1 ZINC001571223510 953145570 /nfs/dbraw/zinc/14/55/70/953145570.db2.gz SEXNLHYLPQROFT-UHFFFAOYSA-N -1 1 383.415 0.097 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)co1 ZINC001571223510 953145572 /nfs/dbraw/zinc/14/55/72/953145572.db2.gz SEXNLHYLPQROFT-UHFFFAOYSA-N -1 1 383.415 0.097 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)Cc1cnoc1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571223602 953145841 /nfs/dbraw/zinc/14/58/41/953145841.db2.gz WZTWQDRHDYGWPW-ZDUSSCGKSA-N -1 1 383.416 0.705 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)Cc1cnoc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571223602 953145843 /nfs/dbraw/zinc/14/58/43/953145843.db2.gz WZTWQDRHDYGWPW-ZDUSSCGKSA-N -1 1 383.416 0.705 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)co1 ZINC001571223752 953146244 /nfs/dbraw/zinc/14/62/44/953146244.db2.gz UHOAARFPCWOSRM-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)co1 ZINC001571223752 953146246 /nfs/dbraw/zinc/14/62/46/953146246.db2.gz UHOAARFPCWOSRM-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)co1 ZINC001571223754 953146403 /nfs/dbraw/zinc/14/64/03/953146403.db2.gz UHOAARFPCWOSRM-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)co1 ZINC001571223754 953146405 /nfs/dbraw/zinc/14/64/05/953146405.db2.gz UHOAARFPCWOSRM-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001571223686 953146422 /nfs/dbraw/zinc/14/64/22/953146422.db2.gz SNDKLPFQXTVYCD-TZMCWYRMSA-N -1 1 383.416 0.019 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571223686 953146425 /nfs/dbraw/zinc/14/64/25/953146425.db2.gz SNDKLPFQXTVYCD-TZMCWYRMSA-N -1 1 383.416 0.019 20 0 GCADMM CCc1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)co1 ZINC001571223792 953146753 /nfs/dbraw/zinc/14/67/53/953146753.db2.gz VQLVUTTUUOMVKR-GHMZBOCLSA-N -1 1 383.416 0.734 20 0 GCADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1[nH]c(C)cc1C ZINC001571223841 953146957 /nfs/dbraw/zinc/14/69/57/953146957.db2.gz YGJLQHHLHBGKHK-VXGBXAGGSA-N -1 1 383.416 0.235 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571223883 953147667 /nfs/dbraw/zinc/14/76/67/953147667.db2.gz ZIKZNSYTUMXCJK-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571223883 953147671 /nfs/dbraw/zinc/14/76/71/953147671.db2.gz ZIKZNSYTUMXCJK-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H]2CN(C(=O)c3cc[nH]c3)CCO2)n1 ZINC001571224940 953152158 /nfs/dbraw/zinc/15/21/58/953152158.db2.gz GZUBUMCOTDMHFQ-RISCZKNCSA-N -1 1 383.416 0.635 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H]2CN(C(=O)c3cc[nH]c3)CCO2)n1 ZINC001571224940 953152160 /nfs/dbraw/zinc/15/21/60/953152160.db2.gz GZUBUMCOTDMHFQ-RISCZKNCSA-N -1 1 383.416 0.635 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)Cc3cnoc3)CC[C@H]2C)n1 ZINC001571225662 953153404 /nfs/dbraw/zinc/15/34/04/953153404.db2.gz MPKLMXVHVXALMM-YPMHNXCESA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)Cc3cnoc3)CC[C@H]2C)n1 ZINC001571225662 953153406 /nfs/dbraw/zinc/15/34/06/953153406.db2.gz MPKLMXVHVXALMM-YPMHNXCESA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)no1 ZINC001571225943 953154194 /nfs/dbraw/zinc/15/41/94/953154194.db2.gz OXEGDXVHELEGQO-GXFFZTMASA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)no1 ZINC001571225943 953154196 /nfs/dbraw/zinc/15/41/96/953154196.db2.gz OXEGDXVHELEGQO-GXFFZTMASA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)no1 ZINC001571225901 953154392 /nfs/dbraw/zinc/15/43/92/953154392.db2.gz OCZYQMNCYOKBKG-GXFFZTMASA-N -1 1 383.416 0.728 20 0 GCADMM Cc1nc(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571225673 953154538 /nfs/dbraw/zinc/15/45/38/953154538.db2.gz NGMNHWHYIZQMOS-CABZTGNLSA-N -1 1 383.416 0.504 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)no1 ZINC001571225945 953154734 /nfs/dbraw/zinc/15/47/34/953154734.db2.gz OXEGDXVHELEGQO-ZWNOBZJWSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)no1 ZINC001571225945 953154738 /nfs/dbraw/zinc/15/47/38/953154738.db2.gz OXEGDXVHELEGQO-ZWNOBZJWSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1noc(C)c1[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226431 953155416 /nfs/dbraw/zinc/15/54/16/953155416.db2.gz QPBDWSRPLXWDOA-SKDRFNHKSA-N -1 1 383.416 0.760 20 0 GCADMM Cc1noc(C)c1[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226431 953155417 /nfs/dbraw/zinc/15/54/17/953155417.db2.gz QPBDWSRPLXWDOA-SKDRFNHKSA-N -1 1 383.416 0.760 20 0 GCADMM Cc1cc[nH]c1C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571226604 953156233 /nfs/dbraw/zinc/15/62/33/953156233.db2.gz SOBBJTJZKKVTNF-GFCCVEGCSA-N -1 1 383.416 0.636 20 0 GCADMM Cc1cc[nH]c1C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571226604 953156236 /nfs/dbraw/zinc/15/62/36/953156236.db2.gz SOBBJTJZKKVTNF-GFCCVEGCSA-N -1 1 383.416 0.636 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571226647 953156794 /nfs/dbraw/zinc/15/67/94/953156794.db2.gz UNWPDOIRJWUNRI-GFCCVEGCSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571226647 953156799 /nfs/dbraw/zinc/15/67/99/953156799.db2.gz UNWPDOIRJWUNRI-GFCCVEGCSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571226657 953156932 /nfs/dbraw/zinc/15/69/32/953156932.db2.gz UYVBYQNQYMVNAN-LBPRGKRZSA-N -1 1 383.416 0.257 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571226657 953156934 /nfs/dbraw/zinc/15/69/34/953156934.db2.gz UYVBYQNQYMVNAN-LBPRGKRZSA-N -1 1 383.416 0.257 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C)c(C)o1 ZINC001571226932 953157679 /nfs/dbraw/zinc/15/76/79/953157679.db2.gz XESZTXMFZACERF-AMIZOPFISA-N -1 1 383.416 0.825 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C)c(C)o1 ZINC001571226932 953157680 /nfs/dbraw/zinc/15/76/80/953157680.db2.gz XESZTXMFZACERF-AMIZOPFISA-N -1 1 383.416 0.825 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571227157 953158163 /nfs/dbraw/zinc/15/81/63/953158163.db2.gz ZXXGICDIFSVCSS-LBPRGKRZSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571227157 953158166 /nfs/dbraw/zinc/15/81/66/953158166.db2.gz ZXXGICDIFSVCSS-LBPRGKRZSA-N -1 1 383.416 0.589 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001571227697 953159217 /nfs/dbraw/zinc/15/92/17/953159217.db2.gz AEEFNLWHUJKHOL-RYUDHWBXSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001571227697 953159219 /nfs/dbraw/zinc/15/92/19/953159219.db2.gz AEEFNLWHUJKHOL-RYUDHWBXSA-N -1 1 383.420 0.302 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571227716 953159315 /nfs/dbraw/zinc/15/93/15/953159315.db2.gz ANWXPFIJGXFMRV-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571227716 953159316 /nfs/dbraw/zinc/15/93/16/953159316.db2.gz ANWXPFIJGXFMRV-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571228030 953160899 /nfs/dbraw/zinc/16/08/99/953160899.db2.gz GQKQYUHAUATSTH-MNOVXSKESA-N -1 1 383.420 0.088 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571228030 953160900 /nfs/dbraw/zinc/16/09/00/953160900.db2.gz GQKQYUHAUATSTH-MNOVXSKESA-N -1 1 383.420 0.088 20 0 GCADMM O=C(CCc1ccon1)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571228172 953162183 /nfs/dbraw/zinc/16/21/83/953162183.db2.gz JXTZPWWYKFLIEH-UHFFFAOYSA-N -1 1 383.416 0.350 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228362 953163686 /nfs/dbraw/zinc/16/36/86/953163686.db2.gz NPBJUCRWTUPOAK-LLVKDONJSA-N -1 1 383.420 0.293 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228362 953163688 /nfs/dbraw/zinc/16/36/88/953163688.db2.gz NPBJUCRWTUPOAK-LLVKDONJSA-N -1 1 383.420 0.293 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228566 953165371 /nfs/dbraw/zinc/16/53/71/953165371.db2.gz SAHHCJANPLZWES-LLVKDONJSA-N -1 1 383.420 0.009 20 0 GCADMM CCn1nc(C)c(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571228813 953167030 /nfs/dbraw/zinc/16/70/30/953167030.db2.gz VVYYUTFUYGSLOH-NSHDSACASA-N -1 1 383.420 0.151 20 0 GCADMM CCn1nc(C)c(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571228813 953167033 /nfs/dbraw/zinc/16/70/33/953167033.db2.gz VVYYUTFUYGSLOH-NSHDSACASA-N -1 1 383.420 0.151 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571229071 953167531 /nfs/dbraw/zinc/16/75/31/953167531.db2.gz ZGIFMNHRJSOLRY-WDEREUQCSA-N -1 1 383.420 0.057 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571229179 953168235 /nfs/dbraw/zinc/16/82/35/953168235.db2.gz AJPOLQWNCXXVLY-KOLCDFICSA-N -1 1 383.420 0.294 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001571229264 953168575 /nfs/dbraw/zinc/16/85/75/953168575.db2.gz BJMFDVIPPPYTFO-NSHDSACASA-N -1 1 383.420 0.438 20 0 GCADMM Cc1c(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)nnn1C ZINC001571229427 953170128 /nfs/dbraw/zinc/17/01/28/953170128.db2.gz DXQLHLLXDGBXEO-NSHDSACASA-N -1 1 383.420 0.200 20 0 GCADMM Cc1c(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)nnn1C ZINC001571229427 953170129 /nfs/dbraw/zinc/17/01/29/953170129.db2.gz DXQLHLLXDGBXEO-NSHDSACASA-N -1 1 383.420 0.200 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cnnn3C)[C@H](C)C2)n1 ZINC001571229770 953172162 /nfs/dbraw/zinc/17/21/62/953172162.db2.gz MRPVIZIQNAOKJO-MNOVXSKESA-N -1 1 383.420 0.199 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cnnn3C)[C@H](C)C2)n1 ZINC001571229770 953172163 /nfs/dbraw/zinc/17/21/63/953172163.db2.gz MRPVIZIQNAOKJO-MNOVXSKESA-N -1 1 383.420 0.199 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571229850 953173098 /nfs/dbraw/zinc/17/30/98/953173098.db2.gz PHIVPQJCRJXPNX-LLVKDONJSA-N -1 1 383.420 0.214 20 0 GCADMM O=C(c1cscn1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571230557 953178188 /nfs/dbraw/zinc/17/81/88/953178188.db2.gz GGBJMYBVOVFUGL-CMPLNLGQSA-N -1 1 383.441 0.854 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571230703 953179282 /nfs/dbraw/zinc/17/92/82/953179282.db2.gz ZRCJRGBSTPXTMX-MNOVXSKESA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571230703 953179284 /nfs/dbraw/zinc/17/92/84/953179284.db2.gz ZRCJRGBSTPXTMX-MNOVXSKESA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571230704 953179295 /nfs/dbraw/zinc/17/92/95/953179295.db2.gz ZRCJRGBSTPXTMX-QWRGUYRKSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571230704 953179302 /nfs/dbraw/zinc/17/93/02/953179302.db2.gz ZRCJRGBSTPXTMX-QWRGUYRKSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571230702 953179757 /nfs/dbraw/zinc/17/97/57/953179757.db2.gz ZRCJRGBSTPXTMX-GHMZBOCLSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571230702 953179760 /nfs/dbraw/zinc/17/97/60/953179760.db2.gz ZRCJRGBSTPXTMX-GHMZBOCLSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1ncsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571231046 953182649 /nfs/dbraw/zinc/18/26/49/953182649.db2.gz QZWORAWEUAUTEX-USWWRNFRSA-N -1 1 383.441 0.961 20 0 GCADMM Cc1ncsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571231046 953182652 /nfs/dbraw/zinc/18/26/52/953182652.db2.gz QZWORAWEUAUTEX-USWWRNFRSA-N -1 1 383.441 0.961 20 0 GCADMM O=S(=O)(NCc1ncc[nH]1)c1cccc(Br)c1-c1nn[n-]n1 ZINC001571235191 953209153 /nfs/dbraw/zinc/20/91/53/953209153.db2.gz WLJOVHRDRFHAGG-UHFFFAOYSA-N -1 1 384.219 0.831 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O)C1CCCC1 ZINC001571235293 953211466 /nfs/dbraw/zinc/21/14/66/953211466.db2.gz ZIVPVHGJVJJKER-RKDXNWHRSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O)C1CCCC1 ZINC001571235293 953211469 /nfs/dbraw/zinc/21/14/69/953211469.db2.gz ZIVPVHGJVJJKER-RKDXNWHRSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]2O)CC1 ZINC001571235300 953211654 /nfs/dbraw/zinc/21/16/54/953211654.db2.gz ZOZNWIQUDGERFY-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]2O)CC1 ZINC001571235300 953211657 /nfs/dbraw/zinc/21/16/57/953211657.db2.gz ZOZNWIQUDGERFY-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(COc1ccccc1F)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571235404 953212190 /nfs/dbraw/zinc/21/21/90/953212190.db2.gz CQPRLGNURBWYLE-LLVKDONJSA-N -1 1 384.375 0.310 20 0 GCADMM CO[C@H](C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1cccnc1)[C@H]1CCOC1 ZINC001571235570 953213631 /nfs/dbraw/zinc/21/36/31/953213631.db2.gz IYDPXCMIBQZQAP-FZMZJTMJSA-N -1 1 384.400 0.746 20 0 GCADMM CO[C@H](C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1cccnc1)[C@H]1CCOC1 ZINC001571235570 953213633 /nfs/dbraw/zinc/21/36/33/953213633.db2.gz IYDPXCMIBQZQAP-FZMZJTMJSA-N -1 1 384.400 0.746 20 0 GCADMM CCc1occc1C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571235640 953214615 /nfs/dbraw/zinc/21/46/15/953214615.db2.gz LWBHOXHJNQMJTN-LLVKDONJSA-N -1 1 384.400 0.765 20 0 GCADMM CCc1occc1C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571235640 953214619 /nfs/dbraw/zinc/21/46/19/953214619.db2.gz LWBHOXHJNQMJTN-LLVKDONJSA-N -1 1 384.400 0.765 20 0 GCADMM CCCc1occc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001571235719 953215141 /nfs/dbraw/zinc/21/51/41/953215141.db2.gz OMXQNPFAXVIPEL-VXGBXAGGSA-N -1 1 384.400 0.182 20 0 GCADMM CCCc1occc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001571235719 953215142 /nfs/dbraw/zinc/21/51/42/953215142.db2.gz OMXQNPFAXVIPEL-VXGBXAGGSA-N -1 1 384.400 0.182 20 0 GCADMM COCc1ccc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571235779 953215264 /nfs/dbraw/zinc/21/52/64/953215264.db2.gz PPWYPOASSIMSDE-UHFFFAOYSA-N -1 1 384.400 0.795 20 0 GCADMM COCc1ccc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571235779 953215268 /nfs/dbraw/zinc/21/52/68/953215268.db2.gz PPWYPOASSIMSDE-UHFFFAOYSA-N -1 1 384.400 0.795 20 0 GCADMM CCCc1occc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571236136 953215726 /nfs/dbraw/zinc/21/57/26/953215726.db2.gz RSEBDOQWMNWYIF-NEPJUHHUSA-N -1 1 384.400 0.182 20 0 GCADMM CCc1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1OC ZINC001571236335 953217499 /nfs/dbraw/zinc/21/74/99/953217499.db2.gz WPEYYGQGRBUNOK-TZMCWYRMSA-N -1 1 384.400 0.446 20 0 GCADMM CCc1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1OC ZINC001571236335 953217502 /nfs/dbraw/zinc/21/75/02/953217502.db2.gz WPEYYGQGRBUNOK-TZMCWYRMSA-N -1 1 384.400 0.446 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001571236681 953218086 /nfs/dbraw/zinc/21/80/86/953218086.db2.gz BFULCECFTLASFR-UWVGGRQHSA-N -1 1 384.404 0.201 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001571236681 953218089 /nfs/dbraw/zinc/21/80/89/953218089.db2.gz BFULCECFTLASFR-UWVGGRQHSA-N -1 1 384.404 0.201 20 0 GCADMM COc1ccc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571236656 953218246 /nfs/dbraw/zinc/21/82/46/953218246.db2.gz APDMBYFJMUCHOX-QGZVFWFLSA-N -1 1 384.400 0.645 20 0 GCADMM O=C(Cc1ccoc1)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571236878 953219015 /nfs/dbraw/zinc/21/90/15/953219015.db2.gz CMQGZVLMMADSAD-KRWDZBQOSA-N -1 1 384.400 0.258 20 0 GCADMM O=C(Cc1ccoc1)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571236878 953219017 /nfs/dbraw/zinc/21/90/17/953219017.db2.gz CMQGZVLMMADSAD-KRWDZBQOSA-N -1 1 384.400 0.258 20 0 GCADMM Cc1ccc(CC(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571237196 953220392 /nfs/dbraw/zinc/22/03/92/953220392.db2.gz GEPVBHITGFHVBM-ZDUSSCGKSA-N -1 1 384.400 0.440 20 0 GCADMM Cc1ccc(CC(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571237196 953220394 /nfs/dbraw/zinc/22/03/94/953220394.db2.gz GEPVBHITGFHVBM-ZDUSSCGKSA-N -1 1 384.400 0.440 20 0 GCADMM Cc1cocc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571237680 953222329 /nfs/dbraw/zinc/22/23/29/953222329.db2.gz LQHDKYJECOFDNQ-DGCLKSJQSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1cocc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571237680 953222330 /nfs/dbraw/zinc/22/23/30/953222330.db2.gz LQHDKYJECOFDNQ-DGCLKSJQSA-N -1 1 384.400 0.900 20 0 GCADMM CCOc1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)[nH]n1 ZINC001571237750 953223024 /nfs/dbraw/zinc/22/30/24/953223024.db2.gz MYUAUYYJBMXETO-BXKDBHETSA-N -1 1 384.404 0.033 20 0 GCADMM CCOc1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)[nH]n1 ZINC001571237750 953223026 /nfs/dbraw/zinc/22/30/26/953223026.db2.gz MYUAUYYJBMXETO-BXKDBHETSA-N -1 1 384.404 0.033 20 0 GCADMM Cc1ccoc1CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238137 953225390 /nfs/dbraw/zinc/22/53/90/953225390.db2.gz VFVTUANGKFZAFJ-LBPRGKRZSA-N -1 1 384.400 0.440 20 0 GCADMM Cc1ccoc1CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238137 953225394 /nfs/dbraw/zinc/22/53/94/953225394.db2.gz VFVTUANGKFZAFJ-LBPRGKRZSA-N -1 1 384.400 0.440 20 0 GCADMM Cc1ccc([C@@H](C)C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571238310 953227010 /nfs/dbraw/zinc/22/70/10/953227010.db2.gz ZFDKRNWALDOUDX-IJLUTSLNSA-N -1 1 384.400 0.028 20 0 GCADMM Cc1ccc([C@@H](C)C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571238310 953227012 /nfs/dbraw/zinc/22/70/12/953227012.db2.gz ZFDKRNWALDOUDX-IJLUTSLNSA-N -1 1 384.400 0.028 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001571238253 953227529 /nfs/dbraw/zinc/22/75/29/953227529.db2.gz YAYHZODBZFSVLZ-LBPRGKRZSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001571238253 953227531 /nfs/dbraw/zinc/22/75/31/953227531.db2.gz YAYHZODBZFSVLZ-LBPRGKRZSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2[C@@H](C)CCCN2C(=O)c2cnon2)n1 ZINC001571238349 953227924 /nfs/dbraw/zinc/22/79/24/953227924.db2.gz AACKERKTPKTTPS-ZANVPECISA-N -1 1 384.404 0.701 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2[C@@H](C)CCCN2C(=O)c2cnon2)n1 ZINC001571238349 953227928 /nfs/dbraw/zinc/22/79/28/953227928.db2.gz AACKERKTPKTTPS-ZANVPECISA-N -1 1 384.404 0.701 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238481 953230237 /nfs/dbraw/zinc/23/02/37/953230237.db2.gz DVPKCUAYTIHGDR-INIZCTEOSA-N -1 1 384.404 0.358 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238481 953230239 /nfs/dbraw/zinc/23/02/39/953230239.db2.gz DVPKCUAYTIHGDR-INIZCTEOSA-N -1 1 384.404 0.358 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571238613 953230680 /nfs/dbraw/zinc/23/06/80/953230680.db2.gz IGPZOGSGLVUPSF-MWLCHTKSSA-N -1 1 384.404 0.097 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571238613 953230681 /nfs/dbraw/zinc/23/06/81/953230681.db2.gz IGPZOGSGLVUPSF-MWLCHTKSSA-N -1 1 384.404 0.097 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238662 953231542 /nfs/dbraw/zinc/23/15/42/953231542.db2.gz JPWVRXQIFCPFGN-LLVKDONJSA-N -1 1 384.404 0.703 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238662 953231544 /nfs/dbraw/zinc/23/15/44/953231544.db2.gz JPWVRXQIFCPFGN-LLVKDONJSA-N -1 1 384.404 0.703 20 0 GCADMM Cn1cc(C(=O)NC2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)[nH]c1=O ZINC001571238796 953232808 /nfs/dbraw/zinc/23/28/08/953232808.db2.gz MVZNDBHWWAMDIQ-UHFFFAOYSA-N -1 1 384.404 0.249 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)n1 ZINC001571238821 953233148 /nfs/dbraw/zinc/23/31/48/953233148.db2.gz NAQUZAWBWLWYQR-ONGXEEELSA-N -1 1 384.404 0.382 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)n1 ZINC001571238821 953233149 /nfs/dbraw/zinc/23/31/49/953233149.db2.gz NAQUZAWBWLWYQR-ONGXEEELSA-N -1 1 384.404 0.382 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238804 953233197 /nfs/dbraw/zinc/23/31/97/953233197.db2.gz MZOCAPQHCJDUPV-SKDRFNHKSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238804 953233200 /nfs/dbraw/zinc/23/32/00/953233200.db2.gz MZOCAPQHCJDUPV-SKDRFNHKSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571238823 953233236 /nfs/dbraw/zinc/23/32/36/953233236.db2.gz NAWDANGGQDSSMU-MGCOHNPYSA-N -1 1 384.404 0.547 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571238823 953233239 /nfs/dbraw/zinc/23/32/39/953233239.db2.gz NAWDANGGQDSSMU-MGCOHNPYSA-N -1 1 384.404 0.547 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571238908 953233891 /nfs/dbraw/zinc/23/38/91/953233891.db2.gz OIUSCMNFRUQPON-SNVBAGLBSA-N -1 1 384.404 0.183 20 0 GCADMM Cn1c(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)c[nH]c1=O ZINC001571239265 953237016 /nfs/dbraw/zinc/23/70/16/953237016.db2.gz RSVIURLASFKNAL-LLVKDONJSA-N -1 1 384.404 0.059 20 0 GCADMM Cn1c(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)c[nH]c1=O ZINC001571239265 953237020 /nfs/dbraw/zinc/23/70/20/953237020.db2.gz RSVIURLASFKNAL-LLVKDONJSA-N -1 1 384.404 0.059 20 0 GCADMM Cc1nonc1C(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571239336 953237723 /nfs/dbraw/zinc/23/77/23/953237723.db2.gz UFLBCKKUYADAPI-MNOVXSKESA-N -1 1 384.404 0.749 20 0 GCADMM Cc1nonc1C(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571239336 953237726 /nfs/dbraw/zinc/23/77/26/953237726.db2.gz UFLBCKKUYADAPI-MNOVXSKESA-N -1 1 384.404 0.749 20 0 GCADMM Cc1nonc1C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571239466 953239930 /nfs/dbraw/zinc/23/99/30/953239930.db2.gz USAVKVWTSTUHKP-VIFPVBQESA-N -1 1 384.404 0.701 20 0 GCADMM Cc1nonc1C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571239466 953239935 /nfs/dbraw/zinc/23/99/35/953239935.db2.gz USAVKVWTSTUHKP-VIFPVBQESA-N -1 1 384.404 0.701 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)[nH]c1=O ZINC001571239847 953243688 /nfs/dbraw/zinc/24/36/88/953243688.db2.gz ZNHCZNJHENDACF-UWVGGRQHSA-N -1 1 384.404 0.106 20 0 GCADMM COc1csc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571241543 953247094 /nfs/dbraw/zinc/24/70/94/953247094.db2.gz COKAMWVDOPPWRW-UWVGGRQHSA-N -1 1 384.425 0.830 20 0 GCADMM COc1csc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571241543 953247098 /nfs/dbraw/zinc/24/70/98/953247098.db2.gz COKAMWVDOPPWRW-UWVGGRQHSA-N -1 1 384.425 0.830 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)c4csnn4)C[C@@H]3C2)n1 ZINC001571241509 953247169 /nfs/dbraw/zinc/24/71/69/953247169.db2.gz BQXVIQRVGRFBAF-AOOOYVTPSA-N -1 1 384.429 0.025 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)c4csnn4)C[C@@H]3C2)n1 ZINC001571241509 953247172 /nfs/dbraw/zinc/24/71/72/953247172.db2.gz BQXVIQRVGRFBAF-AOOOYVTPSA-N -1 1 384.429 0.025 20 0 GCADMM O=C(N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)c1csnn1 ZINC001571241676 953248807 /nfs/dbraw/zinc/24/88/07/953248807.db2.gz HXBXOTKFFKQJAO-VHSXEESVSA-N -1 1 384.429 0.083 20 0 GCADMM O=C(c1cnsn1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571241729 953249035 /nfs/dbraw/zinc/24/90/35/953249035.db2.gz JYVRANPQXQOHQB-NWDGAFQWSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnsn1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571241729 953249037 /nfs/dbraw/zinc/24/90/37/953249037.db2.gz JYVRANPQXQOHQB-NWDGAFQWSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnsn1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571241770 953249376 /nfs/dbraw/zinc/24/93/76/953249376.db2.gz KZNXAAZJLNOFGI-MWLCHTKSSA-N -1 1 384.429 0.249 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1snnc1C1CC1 ZINC001571241783 953249789 /nfs/dbraw/zinc/24/97/89/953249789.db2.gz LJNBBIGMMABNPE-KYZUINATSA-N -1 1 384.429 0.759 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1snnc1C1CC1 ZINC001571241783 953249791 /nfs/dbraw/zinc/24/97/91/953249791.db2.gz LJNBBIGMMABNPE-KYZUINATSA-N -1 1 384.429 0.759 20 0 GCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1ccc2c(c1)CCS2(=O)=O ZINC001571241784 953249802 /nfs/dbraw/zinc/24/98/02/953249802.db2.gz LKGYAJNFYKATOI-UHFFFAOYSA-N -1 1 384.421 0.450 20 0 GCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1ccc2c(c1)CCS2(=O)=O ZINC001571241784 953249803 /nfs/dbraw/zinc/24/98/03/953249803.db2.gz LKGYAJNFYKATOI-UHFFFAOYSA-N -1 1 384.421 0.450 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2csnn2)n1 ZINC001571241863 953250181 /nfs/dbraw/zinc/25/01/81/953250181.db2.gz NVGBNPCNQIYCAU-AOOOYVTPSA-N -1 1 384.429 0.310 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2csnn2)n1 ZINC001571241863 953250182 /nfs/dbraw/zinc/25/01/82/953250182.db2.gz NVGBNPCNQIYCAU-AOOOYVTPSA-N -1 1 384.429 0.310 20 0 GCADMM CC[C@@](NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1)(C(N)=O)C(C)C ZINC001571242109 953253019 /nfs/dbraw/zinc/25/30/19/953253019.db2.gz UXITYTIZCRMIMR-HNNXBMFYSA-N -1 1 384.437 0.883 20 0 GCADMM O=C(c1cnns1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571242130 953253281 /nfs/dbraw/zinc/25/32/81/953253281.db2.gz VFBRTFDADBYRTO-WDEREUQCSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnns1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571242130 953253283 /nfs/dbraw/zinc/25/32/83/953253283.db2.gz VFBRTFDADBYRTO-WDEREUQCSA-N -1 1 384.429 0.392 20 0 GCADMM CC1(NC(=O)[C@H]2C[C@@]23CCOC3)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571242202 953253545 /nfs/dbraw/zinc/25/35/45/953253545.db2.gz CESMMZIPZZIXRE-KZULUSFZSA-N -1 1 384.444 0.558 20 0 GCADMM CC1(NC(=O)[C@H]2C[C@@]23CCOC3)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571242202 953253549 /nfs/dbraw/zinc/25/35/49/953253549.db2.gz CESMMZIPZZIXRE-KZULUSFZSA-N -1 1 384.444 0.558 20 0 GCADMM CC1(C)CO[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)C1 ZINC001571242261 953254564 /nfs/dbraw/zinc/25/45/64/953254564.db2.gz CLGASGZPGQULMZ-RWMBFGLXSA-N -1 1 384.444 0.651 20 0 GCADMM CC1(C)CO[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)C1 ZINC001571242261 953254565 /nfs/dbraw/zinc/25/45/65/953254565.db2.gz CLGASGZPGQULMZ-RWMBFGLXSA-N -1 1 384.444 0.651 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001571242257 953254777 /nfs/dbraw/zinc/25/47/77/953254777.db2.gz CHQCWKFYPZQMGU-YDHLFZDLSA-N -1 1 384.444 0.651 20 0 GCADMM CC1(C)Cc2nc(NC(=O)Cc3ccc(-c4nnn[n-]4)nc3)sc2C(=O)N1 ZINC001571242335 953255448 /nfs/dbraw/zinc/25/54/48/953255448.db2.gz ZOKKWKDECDIROK-UHFFFAOYSA-N -1 1 384.425 0.964 20 0 GCADMM CC1(C)Cc2nc(NC(=O)Cc3ccc(-c4nn[n-]n4)nc3)sc2C(=O)N1 ZINC001571242335 953255452 /nfs/dbraw/zinc/25/54/52/953255452.db2.gz ZOKKWKDECDIROK-UHFFFAOYSA-N -1 1 384.425 0.964 20 0 GCADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571242365 953255787 /nfs/dbraw/zinc/25/57/87/953255787.db2.gz DOJNZVWEOSZRTD-KZVDOYCCSA-N -1 1 384.444 0.270 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571242379 953256161 /nfs/dbraw/zinc/25/61/61/953256161.db2.gz DYBYCNUZOKFXSM-YMEQNVIZSA-N -1 1 384.444 0.149 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571242379 953256165 /nfs/dbraw/zinc/25/61/65/953256165.db2.gz DYBYCNUZOKFXSM-YMEQNVIZSA-N -1 1 384.444 0.149 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001571242431 953256381 /nfs/dbraw/zinc/25/63/81/953256381.db2.gz GBVQAWMOCQYCHE-KPZWWZAWSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001571242431 953256383 /nfs/dbraw/zinc/25/63/83/953256383.db2.gz GBVQAWMOCQYCHE-KPZWWZAWSA-N -1 1 384.444 0.876 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)n1 ZINC001571242390 953256397 /nfs/dbraw/zinc/25/63/97/953256397.db2.gz FHIRKXTUIAHNSC-OLZOCXBDSA-N -1 1 384.444 0.075 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)n1 ZINC001571242390 953256401 /nfs/dbraw/zinc/25/64/01/953256401.db2.gz FHIRKXTUIAHNSC-OLZOCXBDSA-N -1 1 384.444 0.075 20 0 GCADMM COC1CCC(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CC1 ZINC001571242458 953256826 /nfs/dbraw/zinc/25/68/26/953256826.db2.gz GVWRTRQZCYKDCC-LLYMFKJOSA-N -1 1 384.444 0.413 20 0 GCADMM COC1CCC(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CC1 ZINC001571242458 953256833 /nfs/dbraw/zinc/25/68/33/953256833.db2.gz GVWRTRQZCYKDCC-LLYMFKJOSA-N -1 1 384.444 0.413 20 0 GCADMM CO[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571242474 953256893 /nfs/dbraw/zinc/25/68/93/953256893.db2.gz HHWCPXDDGDZVCC-DDHJSBNISA-N -1 1 384.444 0.413 20 0 GCADMM CO[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571242474 953256897 /nfs/dbraw/zinc/25/68/97/953256897.db2.gz HHWCPXDDGDZVCC-DDHJSBNISA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC23CCOCC3)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571242615 953257854 /nfs/dbraw/zinc/25/78/54/953257854.db2.gz KHJYQVPNQRHXCJ-AGIUHOORSA-N -1 1 384.444 0.557 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC23CCOCC3)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571242615 953257855 /nfs/dbraw/zinc/25/78/55/953257855.db2.gz KHJYQVPNQRHXCJ-AGIUHOORSA-N -1 1 384.444 0.557 20 0 GCADMM C[C@H]1C[C@@H](C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)CO1 ZINC001571242672 953258418 /nfs/dbraw/zinc/25/84/18/953258418.db2.gz LGHWTGFXJWRGAE-FVFBXQSLSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@H]1C[C@@H](C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)CO1 ZINC001571242672 953258422 /nfs/dbraw/zinc/25/84/22/953258422.db2.gz LGHWTGFXJWRGAE-FVFBXQSLSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@H]1COCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571242635 953258558 /nfs/dbraw/zinc/25/85/58/953258558.db2.gz KQOCMUZWTPYUFS-FQUUOJAGSA-N -1 1 384.444 0.509 20 0 GCADMM C[C@H]1COCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571242635 953258561 /nfs/dbraw/zinc/25/85/61/953258561.db2.gz KQOCMUZWTPYUFS-FQUUOJAGSA-N -1 1 384.444 0.509 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571242715 953259061 /nfs/dbraw/zinc/25/90/61/953259061.db2.gz MICSEKZOPYMUFN-RFHZTLPTSA-N -1 1 384.444 0.555 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571242715 953259065 /nfs/dbraw/zinc/25/90/65/953259065.db2.gz MICSEKZOPYMUFN-RFHZTLPTSA-N -1 1 384.444 0.555 20 0 GCADMM CCOC1CC(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571242770 953259618 /nfs/dbraw/zinc/25/96/18/953259618.db2.gz NPXKEHOYSMUQCP-AKJUYKBHSA-N -1 1 384.444 0.651 20 0 GCADMM CCOC1CC(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571242770 953259624 /nfs/dbraw/zinc/25/96/24/953259624.db2.gz NPXKEHOYSMUQCP-AKJUYKBHSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H]1CN(C(=O)C2CC2)CC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)O1 ZINC001571242779 953260141 /nfs/dbraw/zinc/26/01/41/953260141.db2.gz NUAFFXVSWAHDRR-LBPRGKRZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1CN(C(=O)C2CC2)CC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)O1 ZINC001571242779 953260145 /nfs/dbraw/zinc/26/01/45/953260145.db2.gz NUAFFXVSWAHDRR-LBPRGKRZSA-N -1 1 384.444 0.653 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@H]2C)n1 ZINC001571242897 953261015 /nfs/dbraw/zinc/26/10/15/953261015.db2.gz QOOHYVFBHOKJHJ-OOPIDFETSA-N -1 1 384.444 0.195 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@H]2C)n1 ZINC001571242897 953261017 /nfs/dbraw/zinc/26/10/17/953261017.db2.gz QOOHYVFBHOKJHJ-OOPIDFETSA-N -1 1 384.444 0.195 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)C3=COCCC3)C2)n1 ZINC001571242995 953261616 /nfs/dbraw/zinc/26/16/16/953261616.db2.gz SOBKDWJXIZVCFG-CYBMUJFWSA-N -1 1 384.444 0.944 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)C3=COCCC3)C2)n1 ZINC001571242995 953261619 /nfs/dbraw/zinc/26/16/19/953261619.db2.gz SOBKDWJXIZVCFG-CYBMUJFWSA-N -1 1 384.444 0.944 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)C2CC3(CC3)C2)CCO1 ZINC001571243001 953261864 /nfs/dbraw/zinc/26/18/64/953261864.db2.gz SUEYUTWGNJTFHQ-BXUZGUMPSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)C2CC3(CC3)C2)CCO1 ZINC001571243001 953261868 /nfs/dbraw/zinc/26/18/68/953261868.db2.gz SUEYUTWGNJTFHQ-BXUZGUMPSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)C2(C3CC3)CC2)CCO1 ZINC001571243122 953263443 /nfs/dbraw/zinc/26/34/43/953263443.db2.gz WRXVKFSJVXKFCR-RISCZKNCSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2(C3CC3)CC2)CCO1 ZINC001571243122 953263447 /nfs/dbraw/zinc/26/34/47/953263447.db2.gz WRXVKFSJVXKFCR-RISCZKNCSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571243167 953263607 /nfs/dbraw/zinc/26/36/07/953263607.db2.gz XYEPUXPFCGDEBU-HCBXJVOMSA-N -1 1 384.444 0.731 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571243167 953263609 /nfs/dbraw/zinc/26/36/09/953263609.db2.gz XYEPUXPFCGDEBU-HCBXJVOMSA-N -1 1 384.444 0.731 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571243203 953264250 /nfs/dbraw/zinc/26/42/50/953264250.db2.gz YTOJEDGPWAOGGW-HVNMYJMUSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571243203 953264255 /nfs/dbraw/zinc/26/42/55/953264255.db2.gz YTOJEDGPWAOGGW-HVNMYJMUSA-N -1 1 384.444 0.413 20 0 GCADMM O=C([C@@H]1CCCOC1)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571247677 953285097 /nfs/dbraw/zinc/28/50/97/953285097.db2.gz BMQUJXAFEZMPMV-FZKQIMNGSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1CCCOC1)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571247677 953285099 /nfs/dbraw/zinc/28/50/99/953285099.db2.gz BMQUJXAFEZMPMV-FZKQIMNGSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)[C@H]1CC12CCC2 ZINC001571248024 953289368 /nfs/dbraw/zinc/28/93/68/953289368.db2.gz CHDDCCSJAWFFJM-CHWSQXEVSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)[C@H]1CC12CCC2 ZINC001571248024 953289372 /nfs/dbraw/zinc/28/93/72/953289372.db2.gz CHDDCCSJAWFFJM-CHWSQXEVSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C1CCC1)N1CCOC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571248077 953289944 /nfs/dbraw/zinc/28/99/44/953289944.db2.gz DIVVHIVSUQRJSV-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(C1CCC1)N1CCOC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571248077 953289950 /nfs/dbraw/zinc/28/99/50/953289950.db2.gz DIVVHIVSUQRJSV-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571248531 953294100 /nfs/dbraw/zinc/29/41/00/953294100.db2.gz FWBDQYKKIKRTEQ-OFEPTWOUSA-N -1 1 384.444 0.468 20 0 GCADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571248531 953294104 /nfs/dbraw/zinc/29/41/04/953294104.db2.gz FWBDQYKKIKRTEQ-OFEPTWOUSA-N -1 1 384.444 0.468 20 0 GCADMM O=C(CCc1cnccn1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571248747 953296749 /nfs/dbraw/zinc/29/67/49/953296749.db2.gz YYVJHOULIHXZMP-UHFFFAOYSA-N -1 1 384.469 0.995 20 0 GCADMM O=C([C@@H]1CCO[C@H]1C1CC1)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248868 953297801 /nfs/dbraw/zinc/29/78/01/953297801.db2.gz KRSZBDUEHAKQGN-KYOSRNDESA-N -1 1 384.444 0.154 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1=CCCCCC1 ZINC001571248804 953298169 /nfs/dbraw/zinc/29/81/69/953298169.db2.gz IUXLONRXLCNBOB-ZFWWWQNUSA-N -1 1 384.444 0.603 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1=CCCCCC1 ZINC001571248804 953298172 /nfs/dbraw/zinc/29/81/72/953298172.db2.gz IUXLONRXLCNBOB-ZFWWWQNUSA-N -1 1 384.444 0.603 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)[C@@H]1C[C@H]1C1CCC1 ZINC001571248911 953298741 /nfs/dbraw/zinc/29/87/41/953298741.db2.gz LQCRWXKCSBBCPT-HZSPNIEDSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)[C@@H]1C[C@H]1C1CCC1 ZINC001571248911 953298742 /nfs/dbraw/zinc/29/87/42/953298742.db2.gz LQCRWXKCSBBCPT-HZSPNIEDSA-N -1 1 384.444 0.414 20 0 GCADMM O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571248941 953298802 /nfs/dbraw/zinc/29/88/02/953298802.db2.gz MIYBFESJZHIPCP-SFDCQRBFSA-N -1 1 384.444 0.297 20 0 GCADMM O=C(CC1CCC1)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571248910 953298939 /nfs/dbraw/zinc/29/89/39/953298939.db2.gz LPSOQXPTGXBOHA-SFHVURJKSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(CC1CCC1)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571248910 953298942 /nfs/dbraw/zinc/29/89/42/953298942.db2.gz LPSOQXPTGXBOHA-SFHVURJKSA-N -1 1 384.444 0.655 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)n1 ZINC001571249389 953304527 /nfs/dbraw/zinc/30/45/27/953304527.db2.gz PDQZSCLWYLQDSK-OLZOCXBDSA-N -1 1 384.444 0.795 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)n1 ZINC001571249389 953304530 /nfs/dbraw/zinc/30/45/30/953304530.db2.gz PDQZSCLWYLQDSK-OLZOCXBDSA-N -1 1 384.444 0.795 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@H]1CCCOC1 ZINC001571250325 953310796 /nfs/dbraw/zinc/31/07/96/953310796.db2.gz QTFLRUSGEAWXAW-JSGCOSHPSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@H]1CCCOC1 ZINC001571250325 953310800 /nfs/dbraw/zinc/31/08/00/953310800.db2.gz QTFLRUSGEAWXAW-JSGCOSHPSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571250396 953310966 /nfs/dbraw/zinc/31/09/66/953310966.db2.gz RFIFLKWIOHJUCK-RDBSUJKOSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571250396 953310970 /nfs/dbraw/zinc/31/09/70/953310970.db2.gz RFIFLKWIOHJUCK-RDBSUJKOSA-N -1 1 384.444 0.511 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571250372 953311103 /nfs/dbraw/zinc/31/11/03/953311103.db2.gz RALAXWOOJVBEMH-ILXRZTDVSA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571250372 953311108 /nfs/dbraw/zinc/31/11/08/953311108.db2.gz RALAXWOOJVBEMH-ILXRZTDVSA-N -1 1 384.444 0.796 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571251206 953315595 /nfs/dbraw/zinc/31/55/95/953315595.db2.gz SMUKEFGPQNFUCM-DGAVXFQQSA-N -1 1 384.444 0.557 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571251206 953315598 /nfs/dbraw/zinc/31/55/98/953315598.db2.gz SMUKEFGPQNFUCM-DGAVXFQQSA-N -1 1 384.444 0.557 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571251719 953318262 /nfs/dbraw/zinc/31/82/62/953318262.db2.gz VEQRZSSWJAXLOZ-ZENOOKHLSA-N -1 1 384.444 0.557 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571251719 953318267 /nfs/dbraw/zinc/31/82/67/953318267.db2.gz VEQRZSSWJAXLOZ-ZENOOKHLSA-N -1 1 384.444 0.557 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)[C@H]1C[C@@]12CCOC2 ZINC001571251706 953318424 /nfs/dbraw/zinc/31/84/24/953318424.db2.gz UTFARYZSIRJVPG-JJFYZRJRSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)[C@H]1C[C@@]12CCOC2 ZINC001571251706 953318426 /nfs/dbraw/zinc/31/84/26/953318426.db2.gz UTFARYZSIRJVPG-JJFYZRJRSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)[C@H]1C[C@]12CCOC2 ZINC001571251709 953319071 /nfs/dbraw/zinc/31/90/71/953319071.db2.gz UTFARYZSIRJVPG-TVUHYWCHSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)[C@H]1C[C@]12CCOC2 ZINC001571251709 953319077 /nfs/dbraw/zinc/31/90/77/953319077.db2.gz UTFARYZSIRJVPG-TVUHYWCHSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(C[C@H]1CCCO1)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571251754 953319339 /nfs/dbraw/zinc/31/93/39/953319339.db2.gz VXSZSICUBJAJGE-CPHYDAQHSA-N -1 1 384.444 0.487 20 0 GCADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571251744 953319706 /nfs/dbraw/zinc/31/97/06/953319706.db2.gz VVZGWOHLWQZRQR-CXTNEJHOSA-N -1 1 384.444 0.154 20 0 GCADMM O=C(CC[C@@H]1CCOC1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571251758 953319733 /nfs/dbraw/zinc/31/97/33/953319733.db2.gz WCYJSUBSKPWMGZ-MCIONIFRSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(CC[C@@H]1CCOC1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571251758 953319734 /nfs/dbraw/zinc/31/97/34/953319734.db2.gz WCYJSUBSKPWMGZ-MCIONIFRSA-N -1 1 384.444 0.368 20 0 GCADMM O=C([C@@H]1COC(=O)N1)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571251819 953320730 /nfs/dbraw/zinc/32/07/30/953320730.db2.gz ANBLPWIGKJNPNF-RITPCOANSA-N -1 1 384.809 0.098 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1=CCCCCC1 ZINC001571252198 953324970 /nfs/dbraw/zinc/32/49/70/953324970.db2.gz YPXAVTCMTFSKTO-CQSZACIVSA-N -1 1 384.444 0.869 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1=CCCCCC1 ZINC001571252198 953324973 /nfs/dbraw/zinc/32/49/73/953324973.db2.gz YPXAVTCMTFSKTO-CQSZACIVSA-N -1 1 384.444 0.869 20 0 GCADMM O=C([C@@H]1CCOC1)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571252409 953327382 /nfs/dbraw/zinc/32/73/82/953327382.db2.gz ZXJFNEFNVZWFLS-FZKQIMNGSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1CCOC1)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 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/nfs/dbraw/zinc/15/31/80/531153180.db2.gz NFUVMZDQOFOETE-UHFFFAOYSA-N -1 1 389.406 0.840 20 0 GCADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000438604015 531154592 /nfs/dbraw/zinc/15/45/92/531154592.db2.gz FOLUZTLTYKIHER-MRVPVSSYSA-N -1 1 385.364 0.750 20 0 GCADMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)nn1 ZINC000553871086 531157638 /nfs/dbraw/zinc/15/76/38/531157638.db2.gz GKVYNASTXYAKJQ-UHFFFAOYSA-N -1 1 379.320 0.343 20 0 GCADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)cc1F ZINC000679202331 531155179 /nfs/dbraw/zinc/15/51/79/531155179.db2.gz FZNFIJAYFIHSLE-UHFFFAOYSA-N -1 1 391.406 0.210 20 0 GCADMM CNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000439079942 531158185 /nfs/dbraw/zinc/15/81/85/531158185.db2.gz PSEPZHUUPHYJBT-UHFFFAOYSA-N -1 1 397.725 0.992 20 0 GCADMM CN(C)S(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000554710104 531164591 /nfs/dbraw/zinc/16/45/91/531164591.db2.gz XVLANHHUPUGLHB-NSHDSACASA-N -1 1 397.469 0.904 20 0 GCADMM CC[C@H](CS(=O)(=O)[N-]c1cccc(S(=O)(=O)NCCOC)c1)OC ZINC000629330990 531166028 /nfs/dbraw/zinc/16/60/28/531166028.db2.gz HWCCZDYAVRVABR-CYBMUJFWSA-N -1 1 380.488 0.778 20 0 GCADMM CCc1cc(C(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)n[nH]1 ZINC000440036326 531168089 /nfs/dbraw/zinc/16/80/89/531168089.db2.gz MGZBQTLXAIDPNJ-UHFFFAOYSA-N -1 1 383.396 0.563 20 0 GCADMM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000564774174 531176756 /nfs/dbraw/zinc/17/67/56/531176756.db2.gz XJMOSFNHGRHGNB-CQSZACIVSA-N -1 1 376.862 0.633 20 0 GCADMM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCC[C@@H](CO)C1)[N-]c1c[nH]cn1 ZINC000565228006 531180525 /nfs/dbraw/zinc/18/05/25/531180525.db2.gz ALNZCIKKWLNULL-NEPJUHHUSA-N -1 1 380.492 0.012 20 0 GCADMM CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CCS1 ZINC000565229499 531181254 /nfs/dbraw/zinc/18/12/54/531181254.db2.gz GLHCHBPGACUFFE-NSHDSACASA-N -1 1 382.533 0.699 20 0 GCADMM COc1ccc(Br)c(CS(=O)(=O)[N-][C@@H]2CC(=O)N(C)C2=O)c1 ZINC000565558225 531187241 /nfs/dbraw/zinc/18/72/41/531187241.db2.gz YNGYLEVQWILZEB-LLVKDONJSA-N -1 1 391.243 0.634 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[N-][C@@](CC)(COC)C(=O)OC)C1 ZINC000565529673 531187320 /nfs/dbraw/zinc/18/73/20/531187320.db2.gz WFOVQZGNYCHBFA-DOMZBBRYSA-N -1 1 380.463 0.064 20 0 GCADMM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1 ZINC000565608132 531187725 /nfs/dbraw/zinc/18/77/25/531187725.db2.gz DQAVDUDQIUJWAG-GHMZBOCLSA-N -1 1 386.455 0.354 20 0 GCADMM C[C@H]1CN(S(=O)(=O)N2CCN(CCCCCC(=O)[O-])CC2)C[C@H](C)O1 ZINC000565838520 531190986 /nfs/dbraw/zinc/19/09/86/531190986.db2.gz OQBPOUAXVYDSQC-GJZGRUSLSA-N -1 1 377.507 0.603 20 0 GCADMM CO[C@@H]1[C@@H](C)[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1(C)C ZINC000565842197 531191484 /nfs/dbraw/zinc/19/14/84/531191484.db2.gz CTRXQXXBSWJRMX-WCFLWFBJSA-N -1 1 394.519 0.520 20 0 GCADMM O=C(CNS(=O)(=O)c1cccs1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000685637347 531192214 /nfs/dbraw/zinc/19/22/14/531192214.db2.gz ILMTUAPCICBFPS-ZDUSSCGKSA-N -1 1 378.439 0.445 20 0 GCADMM O=S(=O)([N-]CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000443050373 531195994 /nfs/dbraw/zinc/19/59/94/531195994.db2.gz ZGVOVVHXJNAXAS-ZIAGYGMSSA-N -1 1 381.420 0.856 20 0 GCADMM CCN([C@H]1CCNC1=O)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443072882 531196032 /nfs/dbraw/zinc/19/60/32/531196032.db2.gz FHXDTKMSJGUCMY-NSHDSACASA-N -1 1 379.435 0.096 20 0 GCADMM O=S(=O)([N-]CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000443050367 531196113 /nfs/dbraw/zinc/19/61/13/531196113.db2.gz ZGVOVVHXJNAXAS-KBPBESRZSA-N -1 1 381.420 0.856 20 0 GCADMM O=S(=O)(CCCCS(=O)(=O)N1CCCO[C@@H](CF)C1)[N-]c1c[nH]cn1 ZINC000566485907 531198226 /nfs/dbraw/zinc/19/82/26/531198226.db2.gz NBKAXCUWQGBJSN-LBPRGKRZSA-N -1 1 398.482 0.322 20 0 GCADMM COCC(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736966685 598836369 /nfs/dbraw/zinc/83/63/69/598836369.db2.gz XQQXGZOFYXIHAX-UHFFFAOYSA-N -1 1 390.381 0.614 20 0 GCADMM COCC(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736966685 598836371 /nfs/dbraw/zinc/83/63/71/598836371.db2.gz XQQXGZOFYXIHAX-UHFFFAOYSA-N -1 1 390.381 0.614 20 0 GCADMM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738299639 598850177 /nfs/dbraw/zinc/85/01/77/598850177.db2.gz AMEVECIMHFRGLF-LBPRGKRZSA-N -1 1 377.364 0.719 20 0 GCADMM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738299639 598850180 /nfs/dbraw/zinc/85/01/80/598850180.db2.gz AMEVECIMHFRGLF-LBPRGKRZSA-N -1 1 377.364 0.719 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(O[C@@H]3CCOC3)cc2)n(C)c1=O ZINC000737594833 598857263 /nfs/dbraw/zinc/85/72/63/598857263.db2.gz BKAMUWRPIAQCOZ-GFCCVEGCSA-N -1 1 385.384 0.175 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1(C(N)=O)CCCC1 ZINC000737486154 598864565 /nfs/dbraw/zinc/86/45/65/598864565.db2.gz BIICOLMDWUYMAG-UHFFFAOYSA-N -1 1 397.443 0.373 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1(C(N)=O)CCCC1 ZINC000737486154 598864566 /nfs/dbraw/zinc/86/45/66/598864566.db2.gz BIICOLMDWUYMAG-UHFFFAOYSA-N -1 1 397.443 0.373 20 0 GCADMM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737754500 598877207 /nfs/dbraw/zinc/87/72/07/598877207.db2.gz WXDWDZLOTPGCHA-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738356198 598877610 /nfs/dbraw/zinc/87/76/10/598877610.db2.gz YKMFVDUPWYHGQN-SNVBAGLBSA-N -1 1 381.311 0.958 20 0 GCADMM O=C([C@H]1CCCO1)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737792244 598935244 /nfs/dbraw/zinc/93/52/44/598935244.db2.gz OJMQZLGSFQWPLV-CQSZACIVSA-N -1 1 380.412 0.638 20 0 GCADMM O=C([C@H]1CCCO1)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737792244 598935245 /nfs/dbraw/zinc/93/52/45/598935245.db2.gz OJMQZLGSFQWPLV-CQSZACIVSA-N -1 1 380.412 0.638 20 0 GCADMM CCN(CCCNc1c2ccccc2nnc1-c1nnn[n-]1)S(C)(=O)=O ZINC000736537177 598936279 /nfs/dbraw/zinc/93/62/79/598936279.db2.gz JFZJPRCWHHOAEK-UHFFFAOYSA-N -1 1 376.446 0.893 20 0 GCADMM CCN(CCCNc1c2ccccc2nnc1-c1nn[n-]n1)S(C)(=O)=O ZINC000736537177 598936281 /nfs/dbraw/zinc/93/62/81/598936281.db2.gz JFZJPRCWHHOAEK-UHFFFAOYSA-N -1 1 376.446 0.893 20 0 GCADMM NC(=O)CNC(=O)c1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737752464 598969925 /nfs/dbraw/zinc/96/99/25/598969925.db2.gz GVGYWYZEZFLHJX-UHFFFAOYSA-N -1 1 390.363 0.817 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000738259480 598982711 /nfs/dbraw/zinc/98/27/11/598982711.db2.gz QCRPDHHGULQFQC-UHFFFAOYSA-N -1 1 399.436 0.408 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000738259480 598982713 /nfs/dbraw/zinc/98/27/13/598982713.db2.gz QCRPDHHGULQFQC-UHFFFAOYSA-N -1 1 399.436 0.408 20 0 GCADMM O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738176019 598987305 /nfs/dbraw/zinc/98/73/05/598987305.db2.gz URCRFZPPVZWHOY-UHFFFAOYSA-N -1 1 385.409 0.955 20 0 GCADMM O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738176019 598987306 /nfs/dbraw/zinc/98/73/06/598987306.db2.gz URCRFZPPVZWHOY-UHFFFAOYSA-N -1 1 385.409 0.955 20 0 GCADMM O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085372 598993534 /nfs/dbraw/zinc/99/35/34/598993534.db2.gz GMURAKJIBJAUTJ-UHFFFAOYSA-N -1 1 387.425 0.111 20 0 GCADMM O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085372 598993536 /nfs/dbraw/zinc/99/35/36/598993536.db2.gz GMURAKJIBJAUTJ-UHFFFAOYSA-N -1 1 387.425 0.111 20 0 GCADMM Cc1oc(NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000737551504 598993716 /nfs/dbraw/zinc/99/37/16/598993716.db2.gz ICKJERVGEJZELA-LLVKDONJSA-N -1 1 382.446 0.382 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000737549674 598995708 /nfs/dbraw/zinc/99/57/08/598995708.db2.gz WOCHXJCFRHLVMA-ZYHUDNBSSA-N -1 1 396.473 0.770 20 0 GCADMM CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735709201 599005591 /nfs/dbraw/zinc/00/55/91/599005591.db2.gz PWMZKROCSZENBS-ZWNOBZJWSA-N -1 1 375.458 0.938 20 0 GCADMM CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735709201 599005593 /nfs/dbraw/zinc/00/55/93/599005593.db2.gz PWMZKROCSZENBS-ZWNOBZJWSA-N -1 1 375.458 0.938 20 0 GCADMM CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736882573 599019679 /nfs/dbraw/zinc/01/96/79/599019679.db2.gz KXACCTCIFYEUHE-UHFFFAOYSA-N -1 1 387.425 0.241 20 0 GCADMM CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736882573 599019680 /nfs/dbraw/zinc/01/96/80/599019680.db2.gz KXACCTCIFYEUHE-UHFFFAOYSA-N -1 1 387.425 0.241 20 0 GCADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)N1CCCCC1 ZINC000737873077 599020176 /nfs/dbraw/zinc/02/01/76/599020176.db2.gz KGGRPMAFHQRZNL-UHFFFAOYSA-N -1 1 384.444 0.032 20 0 GCADMM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)N1CCCCC1 ZINC000737873077 599020178 /nfs/dbraw/zinc/02/01/78/599020178.db2.gz KGGRPMAFHQRZNL-UHFFFAOYSA-N -1 1 384.444 0.032 20 0 GCADMM CS(=O)(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC000737167289 599020699 /nfs/dbraw/zinc/02/06/99/599020699.db2.gz VKGFWZVXOHUJNS-UHFFFAOYSA-N -1 1 379.446 0.244 20 0 GCADMM CS(=O)(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC000737167289 599020701 /nfs/dbraw/zinc/02/07/01/599020701.db2.gz VKGFWZVXOHUJNS-UHFFFAOYSA-N -1 1 379.446 0.244 20 0 GCADMM O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037411 599024191 /nfs/dbraw/zinc/02/41/91/599024191.db2.gz HJFLOTIDLRIWLO-MRXNPFEDSA-N -1 1 375.458 0.199 20 0 GCADMM O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037411 599024193 /nfs/dbraw/zinc/02/41/93/599024193.db2.gz HJFLOTIDLRIWLO-MRXNPFEDSA-N -1 1 375.458 0.199 20 0 GCADMM O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738027272 599027098 /nfs/dbraw/zinc/02/70/98/599027098.db2.gz YPSUDSYUUJMIMZ-UHFFFAOYSA-N -1 1 378.396 0.691 20 0 GCADMM O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738027272 599027099 /nfs/dbraw/zinc/02/70/99/599027099.db2.gz YPSUDSYUUJMIMZ-UHFFFAOYSA-N -1 1 378.396 0.691 20 0 GCADMM O=C(Cc1cc[nH]n1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737975892 599030138 /nfs/dbraw/zinc/03/01/38/599030138.db2.gz WPQQTYQJHXFIBD-UHFFFAOYSA-N -1 1 395.383 0.729 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCOC[C@@H]1CCCO1 ZINC000737201732 599035478 /nfs/dbraw/zinc/03/54/78/599035478.db2.gz VBDBDRQIORCWHR-ZDUSSCGKSA-N -1 1 390.444 0.829 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCOC[C@H]1CCCO1 ZINC000737201731 599036128 /nfs/dbraw/zinc/03/61/28/599036128.db2.gz VBDBDRQIORCWHR-CYBMUJFWSA-N -1 1 390.444 0.829 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3nccnc3-c3nnn[n-]3)cn2)C[C@H](C)O1 ZINC000820736018 599036196 /nfs/dbraw/zinc/03/61/96/599036196.db2.gz WPNXJGQEIJDAFC-PHIMTYICSA-N -1 1 384.404 0.233 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3nccnc3-c3nn[n-]n3)cn2)C[C@H](C)O1 ZINC000820736018 599036197 /nfs/dbraw/zinc/03/61/97/599036197.db2.gz WPNXJGQEIJDAFC-PHIMTYICSA-N -1 1 384.404 0.233 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000737775541 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RNIHBDWPAKSRJG-UHFFFAOYSA-N -1 1 390.473 0.673 20 0 GCADMM Cc1ccn(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822369388 607348544 /nfs/dbraw/zinc/34/85/44/607348544.db2.gz IGFZYIYAXIAZGN-UHFFFAOYSA-N -1 1 381.396 0.677 20 0 GCADMM O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000738304446 598254818 /nfs/dbraw/zinc/25/48/18/598254818.db2.gz YZYFEMVHGZFARN-UHFFFAOYSA-N -1 1 394.432 0.781 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000738355268 598259958 /nfs/dbraw/zinc/25/99/58/598259958.db2.gz MOOPVTXXYYZFRD-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000738355268 598259960 /nfs/dbraw/zinc/25/99/60/598259960.db2.gz MOOPVTXXYYZFRD-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736599426 598260353 /nfs/dbraw/zinc/26/03/53/598260353.db2.gz AGUHZRPNFVJUQZ-UHFFFAOYSA-N -1 1 381.418 0.161 20 0 GCADMM CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736599426 598260355 /nfs/dbraw/zinc/26/03/55/598260355.db2.gz AGUHZRPNFVJUQZ-UHFFFAOYSA-N -1 1 381.418 0.161 20 0 GCADMM O=S(=O)(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341057 598261312 /nfs/dbraw/zinc/26/13/12/598261312.db2.gz BBLVALKJAFNBIB-CQSZACIVSA-N -1 1 389.441 0.970 20 0 GCADMM O=S(=O)(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341055 598261437 /nfs/dbraw/zinc/26/14/37/598261437.db2.gz BBLVALKJAFNBIB-AWEZNQCLSA-N -1 1 389.441 0.970 20 0 GCADMM C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)O1 ZINC000736284747 598261700 /nfs/dbraw/zinc/26/17/00/598261700.db2.gz FFWFNUZRSCLWLM-VXGBXAGGSA-N -1 1 381.462 0.039 20 0 GCADMM COc1ccc(OCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737112647 598262491 /nfs/dbraw/zinc/26/24/91/598262491.db2.gz WUPLVOLMORCPET-UHFFFAOYSA-N -1 1 376.398 0.628 20 0 GCADMM COc1ccc(OCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737112647 598262493 /nfs/dbraw/zinc/26/24/93/598262493.db2.gz WUPLVOLMORCPET-UHFFFAOYSA-N -1 1 376.398 0.628 20 0 GCADMM O=S(=O)(NCCc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338822 598263107 /nfs/dbraw/zinc/26/31/07/598263107.db2.gz NBBCEYVAQPYSIL-UHFFFAOYSA-N -1 1 396.436 0.968 20 0 GCADMM O=S(=O)(NCCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338822 598263108 /nfs/dbraw/zinc/26/31/08/598263108.db2.gz NBBCEYVAQPYSIL-UHFFFAOYSA-N -1 1 396.436 0.968 20 0 GCADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccccc21 ZINC000736025632 598263413 /nfs/dbraw/zinc/26/34/13/598263413.db2.gz ISEZMAOWUAJLEK-GFCCVEGCSA-N -1 1 385.453 0.991 20 0 GCADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccccc21 ZINC000736025632 598263414 /nfs/dbraw/zinc/26/34/14/598263414.db2.gz ISEZMAOWUAJLEK-GFCCVEGCSA-N -1 1 385.453 0.991 20 0 GCADMM O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344797 598264769 /nfs/dbraw/zinc/26/47/69/598264769.db2.gz IMEQBFCOMCYWSL-UHFFFAOYSA-N -1 1 396.436 0.985 20 0 GCADMM O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344797 598264770 /nfs/dbraw/zinc/26/47/70/598264770.db2.gz IMEQBFCOMCYWSL-UHFFFAOYSA-N -1 1 396.436 0.985 20 0 GCADMM CS(=O)(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737169374 598265541 /nfs/dbraw/zinc/26/55/41/598265541.db2.gz VIRPUWPOCGFORN-UHFFFAOYSA-N -1 1 396.410 0.401 20 0 GCADMM CS(=O)(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737169374 598265543 /nfs/dbraw/zinc/26/55/43/598265543.db2.gz VIRPUWPOCGFORN-UHFFFAOYSA-N -1 1 396.410 0.401 20 0 GCADMM CN(CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CC(F)(F)F ZINC000736801166 598265866 /nfs/dbraw/zinc/26/58/66/598265866.db2.gz RCNVPYUNJSCPDB-UHFFFAOYSA-N -1 1 379.368 0.424 20 0 GCADMM CN(CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)CC(F)(F)F ZINC000736801166 598265868 /nfs/dbraw/zinc/26/58/68/598265868.db2.gz RCNVPYUNJSCPDB-UHFFFAOYSA-N -1 1 379.368 0.424 20 0 GCADMM O=C(NCC1CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738044530 598266063 /nfs/dbraw/zinc/26/60/63/598266063.db2.gz KZJIYYISIQSYDL-LBPRGKRZSA-N -1 1 391.457 0.189 20 0 GCADMM O=C(NCC1CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738044530 598266064 /nfs/dbraw/zinc/26/60/64/598266064.db2.gz KZJIYYISIQSYDL-LBPRGKRZSA-N -1 1 391.457 0.189 20 0 GCADMM O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346242 598266339 /nfs/dbraw/zinc/26/63/39/598266339.db2.gz WDVZSANRBXLFRK-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346242 598266341 /nfs/dbraw/zinc/26/63/41/598266341.db2.gz WDVZSANRBXLFRK-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM O=S(=O)(NCCN1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337583 598267602 /nfs/dbraw/zinc/26/76/02/598267602.db2.gz FNCUSNJFDFYLNE-UHFFFAOYSA-N -1 1 385.453 0.993 20 0 GCADMM O=S(=O)(NCCN1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337583 598267604 /nfs/dbraw/zinc/26/76/04/598267604.db2.gz FNCUSNJFDFYLNE-UHFFFAOYSA-N -1 1 385.453 0.993 20 0 GCADMM Cc1cccc(C(=O)NCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737385539 598267615 /nfs/dbraw/zinc/26/76/15/598267615.db2.gz TZNXGLVLZNKEEG-UHFFFAOYSA-N -1 1 387.425 0.278 20 0 GCADMM Cc1cccc(C(=O)NCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737385539 598267616 /nfs/dbraw/zinc/26/76/16/598267616.db2.gz TZNXGLVLZNKEEG-UHFFFAOYSA-N -1 1 387.425 0.278 20 0 GCADMM CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736603148 598268871 /nfs/dbraw/zinc/26/88/71/598268871.db2.gz UNMZMIKLNNEAMU-UHFFFAOYSA-N -1 1 388.409 0.917 20 0 GCADMM CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736603148 598268872 /nfs/dbraw/zinc/26/88/72/598268872.db2.gz UNMZMIKLNNEAMU-UHFFFAOYSA-N -1 1 388.409 0.917 20 0 GCADMM O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344205 598269551 /nfs/dbraw/zinc/26/95/51/598269551.db2.gz BZCFDYKLKUTYQP-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344205 598269553 /nfs/dbraw/zinc/26/95/53/598269553.db2.gz BZCFDYKLKUTYQP-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736323479 598269901 /nfs/dbraw/zinc/26/99/01/598269901.db2.gz FGLAKINXJYCWPG-CABZTGNLSA-N -1 1 397.486 0.240 20 0 GCADMM CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736323479 598269902 /nfs/dbraw/zinc/26/99/02/598269902.db2.gz FGLAKINXJYCWPG-CABZTGNLSA-N -1 1 397.486 0.240 20 0 GCADMM CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736525028 598270047 /nfs/dbraw/zinc/27/00/47/598270047.db2.gz YNGPFCBBXNKZFI-GFCCVEGCSA-N -1 1 397.486 0.194 20 0 GCADMM CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736525028 598270048 /nfs/dbraw/zinc/27/00/48/598270048.db2.gz YNGPFCBBXNKZFI-GFCCVEGCSA-N -1 1 397.486 0.194 20 0 GCADMM COC(=O)NC(C)(C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736934407 598288895 /nfs/dbraw/zinc/28/88/95/598288895.db2.gz AYIRZJZHPNMVFC-UHFFFAOYSA-N -1 1 380.361 0.693 20 0 GCADMM COC(=O)[C@H](C)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736895662 598298920 /nfs/dbraw/zinc/29/89/20/598298920.db2.gz ZQIXXWHJQJISGB-SECBINFHSA-N -1 1 386.416 0.384 20 0 GCADMM COC(=O)[C@H](C)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736895662 598298921 /nfs/dbraw/zinc/29/89/21/598298921.db2.gz ZQIXXWHJQJISGB-SECBINFHSA-N -1 1 386.416 0.384 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000736883159 598308608 /nfs/dbraw/zinc/30/86/08/598308608.db2.gz NDYAFXXGZWJFFW-UHFFFAOYSA-N -1 1 380.361 0.437 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCN1c1nccn2cnnc12 ZINC000820742078 607350417 /nfs/dbraw/zinc/35/04/17/607350417.db2.gz HMFQMJKCHBVOCI-SNVBAGLBSA-N -1 1 396.440 0.717 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1c1nccn2cnnc12 ZINC000820742078 607350418 /nfs/dbraw/zinc/35/04/18/607350418.db2.gz HMFQMJKCHBVOCI-SNVBAGLBSA-N -1 1 396.440 0.717 20 0 GCADMM CCc1ccccc1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736702497 598337412 /nfs/dbraw/zinc/33/74/12/598337412.db2.gz QIIOSDLZWSVXFP-UHFFFAOYSA-N -1 1 393.455 0.980 20 0 GCADMM CCc1ccccc1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736702497 598337414 /nfs/dbraw/zinc/33/74/14/598337414.db2.gz QIIOSDLZWSVXFP-UHFFFAOYSA-N -1 1 393.455 0.980 20 0 GCADMM c1cc(CNc2nccnc2-c2nnn[n-]2)cc(OCCN2CCOCC2)c1 ZINC000738412793 598349274 /nfs/dbraw/zinc/34/92/74/598349274.db2.gz ITSKADZGVGOKMF-UHFFFAOYSA-N -1 1 382.428 0.980 20 0 GCADMM c1cc(CNc2nccnc2-c2nn[n-]n2)cc(OCCN2CCOCC2)c1 ZINC000738412793 598349276 /nfs/dbraw/zinc/34/92/76/598349276.db2.gz ITSKADZGVGOKMF-UHFFFAOYSA-N -1 1 382.428 0.980 20 0 GCADMM c1ccc(OCCN2CCOCC2)c(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000738437057 598350842 /nfs/dbraw/zinc/35/08/42/598350842.db2.gz XVTWSVWWZXYODY-UHFFFAOYSA-N -1 1 382.428 0.980 20 0 GCADMM c1ccc(OCCN2CCOCC2)c(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000738437057 598350844 /nfs/dbraw/zinc/35/08/44/598350844.db2.gz XVTWSVWWZXYODY-UHFFFAOYSA-N -1 1 382.428 0.980 20 0 GCADMM Cc1oc(NC(=O)CN2CCc3nnc(N(C)C)cc3C2)c(-c2nn[n-]n2)c1C ZINC000737552377 598365115 /nfs/dbraw/zinc/36/51/15/598365115.db2.gz OCJLMDWBHNJPEH-UHFFFAOYSA-N -1 1 397.443 0.929 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc(Br)cc2)n(C)c1=O ZINC000737597622 598388446 /nfs/dbraw/zinc/38/84/46/598388446.db2.gz TUMFBERCPCZBGG-UHFFFAOYSA-N -1 1 392.217 0.639 20 0 GCADMM CO[C@H](C)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736957196 598409988 /nfs/dbraw/zinc/40/99/88/598409988.db2.gz FFRDRZYPNCYNCF-LLVKDONJSA-N -1 1 385.384 0.959 20 0 GCADMM CO[C@H](C)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736957196 598409989 /nfs/dbraw/zinc/40/99/89/598409989.db2.gz FFRDRZYPNCYNCF-LLVKDONJSA-N -1 1 385.384 0.959 20 0 GCADMM Cc1nc2n(n1)C[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)CC2 ZINC000737490881 598419123 /nfs/dbraw/zinc/41/91/23/598419123.db2.gz YUNLAZVCWLSROA-GFCCVEGCSA-N -1 1 397.443 0.548 20 0 GCADMM COC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736909112 598424639 /nfs/dbraw/zinc/42/46/39/598424639.db2.gz HTSQQHRBOSNLOH-MRVPVSSYSA-N -1 1 378.414 0.714 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N(C)CCN2CCOCC2)cc1-c1nn[n-]n1 ZINC000737188116 598424834 /nfs/dbraw/zinc/42/48/34/598424834.db2.gz ZFOSXDNFVIVTBI-UHFFFAOYSA-N -1 1 379.446 0.093 20 0 GCADMM CCn1c2ccc(F)cc2nc1Cn1c(=O)c(-c2nn[n-]n2)cn(CC)c1=O ZINC000736717495 598440131 /nfs/dbraw/zinc/44/01/31/598440131.db2.gz CXDJISBGTMQLLH-UHFFFAOYSA-N -1 1 384.375 0.767 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736909597 598453588 /nfs/dbraw/zinc/45/35/88/598453588.db2.gz QYBZWUGBWIGVBV-QWRGUYRKSA-N -1 1 387.400 0.190 20 0 GCADMM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737744624 598472767 /nfs/dbraw/zinc/47/27/67/598472767.db2.gz MWFLBMLGGMSEMO-AWEZNQCLSA-N -1 1 385.409 0.035 20 0 GCADMM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737744624 598472769 /nfs/dbraw/zinc/47/27/69/598472769.db2.gz MWFLBMLGGMSEMO-AWEZNQCLSA-N -1 1 385.409 0.035 20 0 GCADMM O=C(CCn1cc[n-]c(=O)c1=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000737864518 598529019 /nfs/dbraw/zinc/52/90/19/598529019.db2.gz ZCZAGASSHGAJOT-UHFFFAOYSA-N -1 1 381.396 0.298 20 0 GCADMM O=C(COC(=O)[C@@H]1CCCOC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737908521 598533786 /nfs/dbraw/zinc/53/37/86/598533786.db2.gz NOHXZNXIABZTDC-GFCCVEGCSA-N -1 1 397.395 0.961 20 0 GCADMM O=C(COC(=O)[C@@H]1CCCOC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737908521 598533788 /nfs/dbraw/zinc/53/37/88/598533788.db2.gz NOHXZNXIABZTDC-GFCCVEGCSA-N -1 1 397.395 0.961 20 0 GCADMM O=C(COC(=O)[C@H]1CCCOC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737908525 598534162 /nfs/dbraw/zinc/53/41/62/598534162.db2.gz NOHXZNXIABZTDC-LBPRGKRZSA-N -1 1 397.395 0.961 20 0 GCADMM O=C(COC(=O)[C@H]1CCCOC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737908525 598534163 /nfs/dbraw/zinc/53/41/63/598534163.db2.gz NOHXZNXIABZTDC-LBPRGKRZSA-N -1 1 397.395 0.961 20 0 GCADMM Cc1nn(CC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513158 598538279 /nfs/dbraw/zinc/53/82/79/598538279.db2.gz HMTALHUBYJDYSP-JTQLQIEISA-N -1 1 395.379 0.643 20 0 GCADMM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735683843 598539844 /nfs/dbraw/zinc/53/98/44/598539844.db2.gz FXIXQBLMAWEBND-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CCCCNC(=O)CN1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736457576 598570765 /nfs/dbraw/zinc/57/07/65/598570765.db2.gz OORJHKWQKQXPEZ-UHFFFAOYSA-N -1 1 378.868 0.953 20 0 GCADMM CCCCNC(=O)CN1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736457576 598570767 /nfs/dbraw/zinc/57/07/67/598570767.db2.gz OORJHKWQKQXPEZ-UHFFFAOYSA-N -1 1 378.868 0.953 20 0 GCADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)N1CCSCC1 ZINC000738328869 598581007 /nfs/dbraw/zinc/58/10/07/598581007.db2.gz GUIURVCPANWUDP-UHFFFAOYSA-N -1 1 389.894 0.706 20 0 GCADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)N1CCSCC1 ZINC000738328869 598581008 /nfs/dbraw/zinc/58/10/08/598581008.db2.gz GUIURVCPANWUDP-UHFFFAOYSA-N -1 1 389.894 0.706 20 0 GCADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1c1ccccc1 ZINC000738298849 598597282 /nfs/dbraw/zinc/59/72/82/598597282.db2.gz YUAYNRVATWUFDN-CQSZACIVSA-N -1 1 385.409 0.346 20 0 GCADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1c1ccccc1 ZINC000738298849 598597284 /nfs/dbraw/zinc/59/72/84/598597284.db2.gz YUAYNRVATWUFDN-CQSZACIVSA-N -1 1 385.409 0.346 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC(CO)CC1 ZINC000822459796 607362792 /nfs/dbraw/zinc/36/27/92/607362792.db2.gz WZTVZJDPBWWQRP-UHFFFAOYSA-N -1 1 384.444 0.690 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC(CO)CC1 ZINC000822459796 607362794 /nfs/dbraw/zinc/36/27/94/607362794.db2.gz WZTVZJDPBWWQRP-UHFFFAOYSA-N -1 1 384.444 0.690 20 0 GCADMM Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000737775537 598628983 /nfs/dbraw/zinc/62/89/83/598628983.db2.gz AHEUAGKGELOHDD-SNVBAGLBSA-N -1 1 390.429 0.555 20 0 GCADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](O)c1c(F)cccc1F ZINC000820914900 607361350 /nfs/dbraw/zinc/36/13/50/607361350.db2.gz RPUCONFGFGTZPC-ZWNOBZJWSA-N -1 1 378.343 0.365 20 0 GCADMM CCc1nn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705531 598640117 /nfs/dbraw/zinc/64/01/17/598640117.db2.gz JTZOZLKJDWPCMP-QWRGUYRKSA-N -1 1 375.433 0.184 20 0 GCADMM CCc1nn(CC(=O)NCc2cccc(OC)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705869 598642985 /nfs/dbraw/zinc/64/29/85/598642985.db2.gz QGTDALWOXWWUER-UHFFFAOYSA-N -1 1 397.439 0.873 20 0 GCADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000736912805 598675157 /nfs/dbraw/zinc/67/51/57/598675157.db2.gz QIIZTNYQVQITCV-GFCCVEGCSA-N -1 1 386.393 0.727 20 0 GCADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000736912805 598675158 /nfs/dbraw/zinc/67/51/58/598675158.db2.gz QIIZTNYQVQITCV-GFCCVEGCSA-N -1 1 386.393 0.727 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](c3ccc(Cl)cc3)C2)n(C)c1=O ZINC000737596315 598680398 /nfs/dbraw/zinc/68/03/98/598680398.db2.gz MERLQZQSFSBIPV-LLVKDONJSA-N -1 1 387.831 0.911 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](c3ccc(Cl)cc3)C2)n(C)c1=O ZINC000737596316 598680590 /nfs/dbraw/zinc/68/05/90/598680590.db2.gz MERLQZQSFSBIPV-NSHDSACASA-N -1 1 387.831 0.911 20 0 GCADMM CS(=O)(=O)CCCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737162418 598680587 /nfs/dbraw/zinc/68/05/87/598680587.db2.gz KFRXBQHNNZQUTQ-UHFFFAOYSA-N -1 1 381.462 0.289 20 0 GCADMM CCOC(=O)[C@@H]1CSCCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821325607 607364506 /nfs/dbraw/zinc/36/45/06/607364506.db2.gz HKGKBCMULBVGDI-NSHDSACASA-N -1 1 394.457 0.996 20 0 GCADMM CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000735736849 598689430 /nfs/dbraw/zinc/68/94/30/598689430.db2.gz ZSEGCIYMMGNOCS-KGLIPLIRSA-N -1 1 399.415 0.383 20 0 GCADMM CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000735736853 598689609 /nfs/dbraw/zinc/68/96/09/598689609.db2.gz ZSEGCIYMMGNOCS-ZIAGYGMSSA-N -1 1 399.415 0.383 20 0 GCADMM O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737833647 598690778 /nfs/dbraw/zinc/69/07/78/598690778.db2.gz ZHJSPGPWWWCVMK-CQSZACIVSA-N -1 1 399.415 0.529 20 0 GCADMM CCCNC(=O)CN(CCC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736484378 598691570 /nfs/dbraw/zinc/69/15/70/598691570.db2.gz XWKDAMBWGAXSMS-UHFFFAOYSA-N -1 1 384.437 0.933 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](C2OCCO2)C1 ZINC000738355788 598694395 /nfs/dbraw/zinc/69/43/95/598694395.db2.gz SQPBIWDXZDAPJO-SNVBAGLBSA-N -1 1 383.405 0.779 20 0 GCADMM O=C(NN1CC(=O)[N-]C1=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738306449 598700205 /nfs/dbraw/zinc/70/02/05/598700205.db2.gz IGEPCXJQBLSERG-UHFFFAOYSA-N -1 1 379.336 0.856 20 0 GCADMM Cc1cc(C)n(C[C@@H]2CCCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000737258191 598787801 /nfs/dbraw/zinc/78/78/01/598787801.db2.gz ZCMNJFROPHITGY-ZDUSSCGKSA-N -1 1 399.459 0.137 20 0 GCADMM CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000735905606 598809818 /nfs/dbraw/zinc/80/98/18/598809818.db2.gz LVTOWZQUFYVWLB-UHFFFAOYSA-N -1 1 385.384 0.533 20 0 GCADMM CC1(C)C(=O)NCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736208042 598811167 /nfs/dbraw/zinc/81/11/67/598811167.db2.gz UWHDXTKIWNSMSP-UHFFFAOYSA-N -1 1 395.427 0.201 20 0 GCADMM CC1(C)C(=O)NCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736208042 598811168 /nfs/dbraw/zinc/81/11/68/598811168.db2.gz UWHDXTKIWNSMSP-UHFFFAOYSA-N -1 1 395.427 0.201 20 0 GCADMM COc1ccc2[nH]cc(CCNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)c2c1 ZINC000737117275 598817453 /nfs/dbraw/zinc/81/74/53/598817453.db2.gz ZKQGWVHWEADEED-UHFFFAOYSA-N -1 1 396.411 0.409 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccccc2OC2CCC2)n(C)c1=O ZINC000737595737 599305818 /nfs/dbraw/zinc/30/58/18/599305818.db2.gz KREFLZBRPTZGSV-UHFFFAOYSA-N -1 1 383.412 0.808 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(=O)Nc2cnccc21 ZINC000737202275 599314081 /nfs/dbraw/zinc/31/40/81/599314081.db2.gz ZNPYEUMXGIKXGQ-UHFFFAOYSA-N -1 1 394.395 0.897 20 0 GCADMM CCCNC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821114570 599335319 /nfs/dbraw/zinc/33/53/19/599335319.db2.gz YAYPJSMPZJIDEO-UHFFFAOYSA-N -1 1 396.448 0.933 20 0 GCADMM CCCNC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821114570 599335321 /nfs/dbraw/zinc/33/53/21/599335321.db2.gz YAYPJSMPZJIDEO-UHFFFAOYSA-N -1 1 396.448 0.933 20 0 GCADMM CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821631175 599336120 /nfs/dbraw/zinc/33/61/20/599336120.db2.gz AJVPVGAWHOUEBG-UHFFFAOYSA-N -1 1 384.849 0.667 20 0 GCADMM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000819802663 599337252 /nfs/dbraw/zinc/33/72/52/599337252.db2.gz HBXILMDPGZDLGQ-NSHDSACASA-N -1 1 384.849 0.809 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CN(c3ccccc3)C(=O)O2)c1=O ZINC000736712787 599339883 /nfs/dbraw/zinc/33/98/83/599339883.db2.gz CBWLTHKBDCVNEM-LBPRGKRZSA-N -1 1 383.368 0.235 20 0 GCADMM O=C1CCCN1C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823530906 599342691 /nfs/dbraw/zinc/34/26/91/599342691.db2.gz UTFPGFQDYQBIPJ-UHFFFAOYSA-N -1 1 394.432 0.781 20 0 GCADMM O=C1CCCN1C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823530906 599342693 /nfs/dbraw/zinc/34/26/93/599342693.db2.gz UTFPGFQDYQBIPJ-UHFFFAOYSA-N -1 1 394.432 0.781 20 0 GCADMM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820292351 599344003 /nfs/dbraw/zinc/34/40/03/599344003.db2.gz DGONFVCLJBLPGK-QMMMGPOBSA-N -1 1 377.423 0.059 20 0 GCADMM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820292351 599344006 /nfs/dbraw/zinc/34/40/06/599344006.db2.gz DGONFVCLJBLPGK-QMMMGPOBSA-N -1 1 377.423 0.059 20 0 GCADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819884602 599344226 /nfs/dbraw/zinc/34/42/26/599344226.db2.gz XQZTUZHMSSCGCH-BDAKNGLRSA-N -1 1 391.450 0.448 20 0 GCADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819884602 599344229 /nfs/dbraw/zinc/34/42/29/599344229.db2.gz XQZTUZHMSSCGCH-BDAKNGLRSA-N -1 1 391.450 0.448 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cncn1 ZINC000823600937 599345655 /nfs/dbraw/zinc/34/56/55/599345655.db2.gz MMSKZADKOBQOQF-LLVKDONJSA-N -1 1 394.848 0.965 20 0 GCADMM O=C(c1ncccn1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738292273 599351372 /nfs/dbraw/zinc/35/13/72/599351372.db2.gz LFBHHDAXPHCYAZ-UHFFFAOYSA-N -1 1 393.367 0.867 20 0 GCADMM CC(C)c1ncc2c(n1)CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000820206698 599371553 /nfs/dbraw/zinc/37/15/53/599371553.db2.gz WJJMHUVUWCGEIY-UHFFFAOYSA-N -1 1 386.441 0.922 20 0 GCADMM CC(C)c1ncc2c(n1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000820206698 599371554 /nfs/dbraw/zinc/37/15/54/599371554.db2.gz WJJMHUVUWCGEIY-UHFFFAOYSA-N -1 1 386.441 0.922 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000823123291 599385451 /nfs/dbraw/zinc/38/54/51/599385451.db2.gz WGIZMXIBFNFSIK-OAHLLOKOSA-N -1 1 384.371 0.768 20 0 GCADMM Cc1noc(C)c1S(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737533868 599399514 /nfs/dbraw/zinc/39/95/14/599399514.db2.gz HARVVPJVCLSQQS-UHFFFAOYSA-N -1 1 390.429 0.377 20 0 GCADMM Cc1noc(C)c1S(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737533868 599399517 /nfs/dbraw/zinc/39/95/17/599399517.db2.gz HARVVPJVCLSQQS-UHFFFAOYSA-N -1 1 390.429 0.377 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000822535636 599449021 /nfs/dbraw/zinc/44/90/21/599449021.db2.gz YYYNYPRLCTZJRU-LBPRGKRZSA-N -1 1 382.384 0.756 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000822535636 599449022 /nfs/dbraw/zinc/44/90/22/599449022.db2.gz YYYNYPRLCTZJRU-LBPRGKRZSA-N -1 1 382.384 0.756 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@](C)(O)C(C)C ZINC000822458932 599489106 /nfs/dbraw/zinc/48/91/06/599489106.db2.gz JJVLKLFYNKUXOS-SFHVURJKSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@](C)(O)C(C)C ZINC000822458932 599489109 /nfs/dbraw/zinc/48/91/09/599489109.db2.gz JJVLKLFYNKUXOS-SFHVURJKSA-N -1 1 386.460 0.982 20 0 GCADMM CC(C)(O)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000735679851 599513156 /nfs/dbraw/zinc/51/31/56/599513156.db2.gz PIHDWIZXVSNKNM-UHFFFAOYSA-N -1 1 397.395 0.880 20 0 GCADMM COc1ccccc1[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000737149954 599537139 /nfs/dbraw/zinc/53/71/39/599537139.db2.gz ZXLOUWYVQAKMRG-LLVKDONJSA-N -1 1 383.412 0.267 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000737199512 599571697 /nfs/dbraw/zinc/57/16/97/599571697.db2.gz HKMVZBUFYGAZLT-SECBINFHSA-N -1 1 394.457 0.162 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000737199049 599575585 /nfs/dbraw/zinc/57/55/85/599575585.db2.gz FLZGJFFWISYLCP-RYUDHWBXSA-N -1 1 387.444 0.677 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000737199039 599575892 /nfs/dbraw/zinc/57/58/92/599575892.db2.gz FLZGJFFWISYLCP-NEPJUHHUSA-N -1 1 387.444 0.677 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCS(=O)(=O)[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737550713 599586293 /nfs/dbraw/zinc/58/62/93/599586293.db2.gz BWCGQIQLJRCMGI-PSASIEDQSA-N -1 1 382.446 0.522 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(-n2cccn2)c1 ZINC000820451525 599687281 /nfs/dbraw/zinc/68/72/81/599687281.db2.gz VNNFZXUUOFUXOM-NSHDSACASA-N -1 1 393.411 0.623 20 0 GCADMM O=C([C@H]1CSC(=O)N1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823541891 599696975 /nfs/dbraw/zinc/69/69/75/599696975.db2.gz TYIHLHIDBKNKMV-SECBINFHSA-N -1 1 390.429 0.206 20 0 GCADMM COc1ccc(CN2CCCN(C(=O)COC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000738004747 599702782 /nfs/dbraw/zinc/70/27/82/599702782.db2.gz UNYULHUOPGJEOS-IRXDYDNUSA-N -1 1 390.436 0.993 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nn1C ZINC000826269933 607396674 /nfs/dbraw/zinc/39/66/74/607396674.db2.gz CSURSVVSUHOEPE-LLVKDONJSA-N -1 1 383.420 0.441 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nn1C ZINC000826269933 607396675 /nfs/dbraw/zinc/39/66/75/607396675.db2.gz CSURSVVSUHOEPE-LLVKDONJSA-N -1 1 383.420 0.441 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)C(C)(C)C(=O)[O-])cc2)[nH]1 ZINC000737627032 599848726 /nfs/dbraw/zinc/84/87/26/599848726.db2.gz DKZZMJPPMVQQLU-UHFFFAOYSA-N -1 1 375.381 0.816 20 0 GCADMM O=C([O-])CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000739819677 599875952 /nfs/dbraw/zinc/87/59/52/599875952.db2.gz CKAVHHRCNGJBPU-UHFFFAOYSA-N -1 1 388.398 0.989 20 0 GCADMM CCc1cc(=O)n2[nH]c(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)nc2n1 ZINC000737251072 599883206 /nfs/dbraw/zinc/88/32/06/599883206.db2.gz NYRMFGBBXBNPNJ-UHFFFAOYSA-N -1 1 377.382 0.787 20 0 GCADMM CC[C@H](C)[C@H](NC(=O)CN(C)[C@H]1CCCN(Cc2noc(C)n2)C1)C(=O)[O-] ZINC000736873890 599962634 /nfs/dbraw/zinc/96/26/34/599962634.db2.gz CCFGYHNXGBZLEG-JDFRZJQESA-N -1 1 381.477 0.890 20 0 GCADMM Cc1nc(CN2CCC[C@H](N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)no1 ZINC000738856757 599963174 /nfs/dbraw/zinc/96/31/74/599963174.db2.gz GLZVYAGOYCTGFD-GJZGRUSLSA-N -1 1 381.477 0.890 20 0 GCADMM CCOC(=O)C1=C(CN2CCO[C@@H](C(=O)[O-])C2)NC(=O)N[C@H]1c1ccccc1 ZINC000737134409 599971872 /nfs/dbraw/zinc/97/18/72/599971872.db2.gz PPKBCQKIIFEMDS-ZBFHGGJFSA-N -1 1 389.408 0.643 20 0 GCADMM COc1ccc([C@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)N(C)C)cc1OC ZINC000737958502 600032924 /nfs/dbraw/zinc/03/29/24/600032924.db2.gz ZUAIYUODOJXUEJ-XJKSGUPXSA-N -1 1 381.429 0.802 20 0 GCADMM CN1CCN(C[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000737526556 600040611 /nfs/dbraw/zinc/04/06/11/600040611.db2.gz TYHSUXVSBYORID-IRXDYDNUSA-N -1 1 376.457 0.470 20 0 GCADMM O=C([O-])c1ccc(OC[C@H](O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000740161830 600145548 /nfs/dbraw/zinc/14/55/48/600145548.db2.gz STNFFOOMQZUMSU-SJLPKXTDSA-N -1 1 392.452 0.838 20 0 GCADMM CN1CCN(C(=O)CC2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)CC1 ZINC000737514943 600147577 /nfs/dbraw/zinc/14/75/77/600147577.db2.gz FNKUGLXDSYUGNJ-UHFFFAOYSA-N -1 1 394.516 0.186 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)n1 ZINC000822604856 607425159 /nfs/dbraw/zinc/42/51/59/607425159.db2.gz NGARERRSRGWAJQ-LBPRGKRZSA-N -1 1 386.420 0.311 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)n1 ZINC000822604856 607425161 /nfs/dbraw/zinc/42/51/61/607425161.db2.gz NGARERRSRGWAJQ-LBPRGKRZSA-N -1 1 386.420 0.311 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CCC(=O)N(C)CC(=O)[O-])CC2)C1 ZINC000736748480 600157669 /nfs/dbraw/zinc/15/76/69/600157669.db2.gz FJKMMTUXBJDQAS-IYBDPMFKSA-N -1 1 382.505 0.042 20 0 GCADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000736217684 600160009 /nfs/dbraw/zinc/16/00/09/600160009.db2.gz DLBQJKQYLFLAFN-CQSZACIVSA-N -1 1 394.447 0.703 20 0 GCADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000736218140 600160280 /nfs/dbraw/zinc/16/02/80/600160280.db2.gz LCZYOVFOEDUPNQ-ZDUSSCGKSA-N -1 1 380.420 0.361 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000826091117 607420936 /nfs/dbraw/zinc/42/09/36/607420936.db2.gz VNCDQLBGGYHUAW-UHFFFAOYSA-N -1 1 388.409 0.787 20 0 GCADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000737869120 600219231 /nfs/dbraw/zinc/21/92/31/600219231.db2.gz XNCAEOPFHMQHGE-HUUCEWRRSA-N -1 1 378.425 0.876 20 0 GCADMM C[NH+](C)C[C@H]1CN(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CCO1 ZINC000737365855 600258894 /nfs/dbraw/zinc/25/88/94/600258894.db2.gz OUAPNZFNKYXWSM-INIZCTEOSA-N -1 1 388.424 0.195 20 0 GCADMM CC(C)N(CCCNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000736468851 600293793 /nfs/dbraw/zinc/29/37/93/600293793.db2.gz YSZKUNIMFZPXTL-CQSZACIVSA-N -1 1 389.518 0.349 20 0 GCADMM CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000737515150 600300835 /nfs/dbraw/zinc/30/08/35/600300835.db2.gz HUGJVLMSXBPDGH-UHFFFAOYSA-N -1 1 380.420 0.605 20 0 GCADMM CCc1nn(C)c(Cl)c1CN1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000737284329 600301861 /nfs/dbraw/zinc/30/18/61/600301861.db2.gz HEFLJKSHPLQAOR-UHFFFAOYSA-N -1 1 385.896 0.687 20 0 GCADMM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000736260684 600305954 /nfs/dbraw/zinc/30/59/54/600305954.db2.gz HTKFYZMSZBBIGJ-HNNXBMFYSA-N -1 1 394.516 0.232 20 0 GCADMM COc1ccc(CN2CCCN(C(=O)CN3C[C@H](O)C[C@H]3C(=O)[O-])CC2)cc1 ZINC000738004905 600310461 /nfs/dbraw/zinc/31/04/61/600310461.db2.gz XCFOJODNSCALNL-AEFFLSMTSA-N -1 1 391.468 0.249 20 0 GCADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(CCC(=O)N(C)CC(=O)[O-])CC2)C1 ZINC000736773508 600313979 /nfs/dbraw/zinc/31/39/79/600313979.db2.gz AMJYVOABDGXDHP-HOTGVXAUSA-N -1 1 382.505 0.232 20 0 GCADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000738543158 600347990 /nfs/dbraw/zinc/34/79/90/600347990.db2.gz MUIHMACTEMDBMT-MRXNPFEDSA-N -1 1 397.497 0.330 20 0 GCADMM CN(CCCC(=O)[N-]S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000737427688 600360097 /nfs/dbraw/zinc/36/00/97/600360097.db2.gz UGSJRBPGLJXMPF-UHFFFAOYSA-N -1 1 398.485 0.555 20 0 GCADMM COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000737979604 600371829 /nfs/dbraw/zinc/37/18/29/600371829.db2.gz FETZSPLWOPMNPG-ADLMAVQZSA-N -1 1 392.412 0.146 20 0 GCADMM COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])C2=O)c1 ZINC000738095135 600372774 /nfs/dbraw/zinc/37/27/74/600372774.db2.gz DQLMQGVJEZSBEE-ADLMAVQZSA-N -1 1 392.412 0.146 20 0 GCADMM CN1CCN(C[C@@H]2CN(C(=O)NCCc3ccc(C(=O)[O-])cc3)CCO2)CC1 ZINC000737525993 600409581 /nfs/dbraw/zinc/40/95/81/600409581.db2.gz KJKGKPSDYXYMBT-GOSISDBHSA-N -1 1 390.484 0.585 20 0 GCADMM O=C([O-])[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(Cl)c1 ZINC000739508928 600410379 /nfs/dbraw/zinc/41/03/79/600410379.db2.gz QEMHCHBBRBXFNE-RRFJBIMHSA-N -1 1 388.873 0.553 20 0 GCADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000737401098 600437063 /nfs/dbraw/zinc/43/70/63/600437063.db2.gz HLBFTIKXLNVKSS-UHFFFAOYSA-N -1 1 394.447 0.106 20 0 GCADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000737807458 600470941 /nfs/dbraw/zinc/47/09/41/600470941.db2.gz BMCVRWUFKHJAJX-JTQLQIEISA-N -1 1 385.367 0.829 20 0 GCADMM COC(=O)c1cc(NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc(C(=O)[O-])c1 ZINC000737659197 600523399 /nfs/dbraw/zinc/52/33/99/600523399.db2.gz HAPUWSFOGJAULG-XHDPSFHLSA-N -1 1 379.413 0.419 20 0 GCADMM COc1ccc(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000066585061 600543659 /nfs/dbraw/zinc/54/36/59/600543659.db2.gz OCGQLVQHPYNYTI-UHFFFAOYSA-N -1 1 382.398 0.479 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])cc2)[nH]1 ZINC000737626996 600594767 /nfs/dbraw/zinc/59/47/67/600594767.db2.gz CZWRQUMEVJYQNU-NSHDSACASA-N -1 1 375.381 0.674 20 0 GCADMM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000739257204 600622806 /nfs/dbraw/zinc/62/28/06/600622806.db2.gz XJEJZNHDWWFUNJ-GOSISDBHSA-N -1 1 375.469 0.840 20 0 GCADMM Cn1cc(CN2CCCN(c3ccc(S(N)(=O)=O)cc3C(=O)[O-])CC2)cn1 ZINC000739032902 600624136 /nfs/dbraw/zinc/62/41/36/600624136.db2.gz 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607585752 /nfs/dbraw/zinc/58/57/52/607585752.db2.gz FYJWOASCOWZKGJ-NSHDSACASA-N -1 1 389.416 0.940 20 0 GCADMM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824908953 607591394 /nfs/dbraw/zinc/59/13/94/607591394.db2.gz RYUCCRBLVUFBHH-BDAKNGLRSA-N -1 1 384.849 0.795 20 0 GCADMM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824908955 607591563 /nfs/dbraw/zinc/59/15/63/607591563.db2.gz RYUCCRBLVUFBHH-DTWKUNHWSA-N -1 1 384.849 0.795 20 0 GCADMM COc1ccc(C(=O)NCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000826187603 607593389 /nfs/dbraw/zinc/59/33/89/607593389.db2.gz YGNXNJVKKYSYMK-UHFFFAOYSA-N -1 1 398.379 0.752 20 0 GCADMM COc1ccc(C(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000826187603 607593392 /nfs/dbraw/zinc/59/33/92/607593392.db2.gz YGNXNJVKKYSYMK-UHFFFAOYSA-N -1 1 398.379 0.752 20 0 GCADMM CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826091186 607596622 /nfs/dbraw/zinc/59/66/22/607596622.db2.gz YCKFNZQTPOQWCR-UHFFFAOYSA-N -1 1 392.372 0.666 20 0 GCADMM CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826091186 607596623 /nfs/dbraw/zinc/59/66/23/607596623.db2.gz YCKFNZQTPOQWCR-UHFFFAOYSA-N -1 1 392.372 0.666 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826211819 607597949 /nfs/dbraw/zinc/59/79/49/607597949.db2.gz VVUIVLVZZNBOGW-UHFFFAOYSA-N -1 1 390.381 0.275 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826211819 607597951 /nfs/dbraw/zinc/59/79/51/607597951.db2.gz VVUIVLVZZNBOGW-UHFFFAOYSA-N -1 1 390.381 0.275 20 0 GCADMM O=S(=O)(NCCNc1cnccn1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491749 607598137 /nfs/dbraw/zinc/59/81/37/607598137.db2.gz YXEGQHSASWHRKP-UHFFFAOYSA-N -1 1 380.821 0.701 20 0 GCADMM O=S(=O)(NCCNc1cnccn1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491749 607598139 /nfs/dbraw/zinc/59/81/39/607598139.db2.gz YXEGQHSASWHRKP-UHFFFAOYSA-N -1 1 380.821 0.701 20 0 GCADMM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826340935 607601427 /nfs/dbraw/zinc/60/14/27/607601427.db2.gz PKFPABZKSCZVTC-UHFFFAOYSA-N -1 1 378.370 0.476 20 0 GCADMM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826340935 607601429 /nfs/dbraw/zinc/60/14/29/607601429.db2.gz PKFPABZKSCZVTC-UHFFFAOYSA-N -1 1 378.370 0.476 20 0 GCADMM C[C@@](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)(C(N)=O)c1ccccc1 ZINC000824640126 607601601 /nfs/dbraw/zinc/60/16/01/607601601.db2.gz ASORRJBAKCTXFV-INIZCTEOSA-N -1 1 390.400 0.685 20 0 GCADMM CN1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1=O ZINC000826016844 607602893 /nfs/dbraw/zinc/60/28/93/607602893.db2.gz GSTRHDVKNAKUGE-QMMMGPOBSA-N -1 1 390.347 0.395 20 0 GCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccnc(-c2nn[nH]n2)c1 ZINC000826328009 607606784 /nfs/dbraw/zinc/60/67/84/607606784.db2.gz CJNJXPIBATVICG-UHFFFAOYSA-N -1 1 380.368 0.913 20 0 GCADMM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826157564 607610093 /nfs/dbraw/zinc/61/00/93/607610093.db2.gz ATGSTGIJIDBPHD-QMMMGPOBSA-N -1 1 388.837 0.031 20 0 GCADMM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826157564 607610094 /nfs/dbraw/zinc/61/00/94/607610094.db2.gz ATGSTGIJIDBPHD-QMMMGPOBSA-N -1 1 388.837 0.031 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825599399 607612680 /nfs/dbraw/zinc/61/26/80/607612680.db2.gz LSHHQCVLBKKIGQ-UHFFFAOYSA-N -1 1 384.437 0.349 20 0 GCADMM CC(C)[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1CCCS1(=O)=O ZINC000824185317 607613161 /nfs/dbraw/zinc/61/31/61/607613161.db2.gz VQRZZYHCSMJRMD-ZDUSSCGKSA-N -1 1 380.430 0.365 20 0 GCADMM CC(C)[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1CCCS1(=O)=O ZINC000824185317 607613162 /nfs/dbraw/zinc/61/31/62/607613162.db2.gz VQRZZYHCSMJRMD-ZDUSSCGKSA-N -1 1 380.430 0.365 20 0 GCADMM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826497244 607614274 /nfs/dbraw/zinc/61/42/74/607614274.db2.gz ZMFVRIIIZZCSJJ-MRVPVSSYSA-N -1 1 391.862 0.376 20 0 GCADMM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826497244 607614275 /nfs/dbraw/zinc/61/42/75/607614275.db2.gz ZMFVRIIIZZCSJJ-MRVPVSSYSA-N -1 1 391.862 0.376 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825838727 607616567 /nfs/dbraw/zinc/61/65/67/607616567.db2.gz BMVZJQATLICFTI-WDEREUQCSA-N -1 1 396.448 0.931 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825838727 607616568 /nfs/dbraw/zinc/61/65/68/607616568.db2.gz BMVZJQATLICFTI-WDEREUQCSA-N -1 1 396.448 0.931 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825838583 607616788 /nfs/dbraw/zinc/61/67/88/607616788.db2.gz AGRVLEXVKSOOIL-JQWIXIFHSA-N -1 1 396.448 0.931 20 0 GCADMM COc1cc(C(=O)N2CCN(C(=O)[O-])CC2)cc(NS(C)(=O)=O)c1OC ZINC000829082236 603270041 /nfs/dbraw/zinc/27/00/41/603270041.db2.gz UMMXNEYZIUMPDF-UHFFFAOYSA-N -1 1 387.414 0.511 20 0 GCADMM O=S(=O)(NCCOCCO)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491487 607622684 /nfs/dbraw/zinc/62/26/84/607622684.db2.gz LPCXUMICRWCSLB-UHFFFAOYSA-N -1 1 381.336 0.173 20 0 GCADMM COc1ccc([C@@H](CCO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826189212 607623960 /nfs/dbraw/zinc/62/39/60/607623960.db2.gz PVQXRXUNKSMVJN-CQSZACIVSA-N -1 1 390.425 0.672 20 0 GCADMM COc1ccc([C@@H](CCO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826189212 607623963 /nfs/dbraw/zinc/62/39/63/607623963.db2.gz PVQXRXUNKSMVJN-CQSZACIVSA-N -1 1 390.425 0.672 20 0 GCADMM COc1ccccc1CN(CCO)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826219581 607626524 /nfs/dbraw/zinc/62/65/24/607626524.db2.gz ILVMPYRZOAZVQS-UHFFFAOYSA-N -1 1 390.425 0.454 20 0 GCADMM COc1ccccc1CN(CCO)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826219581 607626526 /nfs/dbraw/zinc/62/65/26/607626526.db2.gz ILVMPYRZOAZVQS-UHFFFAOYSA-N -1 1 390.425 0.454 20 0 GCADMM O=S(=O)(NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489770 607627349 /nfs/dbraw/zinc/62/73/49/607627349.db2.gz ZFIVKQFBTTZLHP-GFCCVEGCSA-N -1 1 392.416 0.530 20 0 GCADMM O=S(=O)(NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489770 607627350 /nfs/dbraw/zinc/62/73/50/607627350.db2.gz ZFIVKQFBTTZLHP-GFCCVEGCSA-N -1 1 392.416 0.530 20 0 GCADMM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826148266 607635872 /nfs/dbraw/zinc/63/58/72/607635872.db2.gz DKOYUBQJHXWDKP-LBPRGKRZSA-N -1 1 395.363 0.561 20 0 GCADMM O=S(=O)(N[C@H](CO)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487043 607638706 /nfs/dbraw/zinc/63/87/06/607638706.db2.gz BERAADCPNOIQGU-GFCCVEGCSA-N -1 1 382.352 0.552 20 0 GCADMM O=S(=O)(N[C@H](CO)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487043 607638707 /nfs/dbraw/zinc/63/87/07/607638707.db2.gz BERAADCPNOIQGU-GFCCVEGCSA-N -1 1 382.352 0.552 20 0 GCADMM C[C@@H](C(=O)N(C)C)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000824034708 607641659 /nfs/dbraw/zinc/64/16/59/607641659.db2.gz NHDANSFTJLTDJI-NSHDSACASA-N -1 1 386.416 0.713 20 0 GCADMM Cc1oc(NC(=O)CN2c3ccccc3C[C@H]2C(N)=O)c(-c2nn[n-]n2)c1C ZINC000826341543 607644838 /nfs/dbraw/zinc/64/48/38/607644838.db2.gz KDLOQKCZKLPUQH-ZDUSSCGKSA-N -1 1 381.396 0.932 20 0 GCADMM C[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC000824705445 607647994 /nfs/dbraw/zinc/64/79/94/607647994.db2.gz ASNIZUYZBPMSBX-QWRGUYRKSA-N -1 1 384.437 0.081 20 0 GCADMM C[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC000824705445 607647995 /nfs/dbraw/zinc/64/79/95/607647995.db2.gz ASNIZUYZBPMSBX-QWRGUYRKSA-N -1 1 384.437 0.081 20 0 GCADMM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1=O ZINC000824900976 607653476 /nfs/dbraw/zinc/65/34/76/607653476.db2.gz XBAAANGYSLJUGA-WCABBAIRSA-N -1 1 396.860 0.808 20 0 GCADMM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1=O ZINC000824900976 607653477 /nfs/dbraw/zinc/65/34/77/607653477.db2.gz XBAAANGYSLJUGA-WCABBAIRSA-N -1 1 396.860 0.808 20 0 GCADMM O=S(=O)(NCCc1nnc2ccccn21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491740 607666174 /nfs/dbraw/zinc/66/61/74/607666174.db2.gz YJJYAHUNKJKHCM-UHFFFAOYSA-N -1 1 388.388 0.570 20 0 GCADMM O=S(=O)(NCCc1nnc2ccccn21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491740 607666176 /nfs/dbraw/zinc/66/61/76/607666176.db2.gz YJJYAHUNKJKHCM-UHFFFAOYSA-N -1 1 388.388 0.570 20 0 GCADMM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824440614 607666807 /nfs/dbraw/zinc/66/68/07/607666807.db2.gz HAWKUQNTMYNXCC-VHSXEESVSA-N -1 1 387.849 0.992 20 0 GCADMM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824440614 607666809 /nfs/dbraw/zinc/66/68/09/607666809.db2.gz HAWKUQNTMYNXCC-VHSXEESVSA-N -1 1 387.849 0.992 20 0 GCADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCO[C@H](CO)C1 ZINC000826494417 607666985 /nfs/dbraw/zinc/66/69/85/607666985.db2.gz BBCDZNPMWRWVOB-VIFPVBQESA-N -1 1 393.347 0.267 20 0 GCADMM NC(=O)C1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000826389711 607671385 /nfs/dbraw/zinc/67/13/85/607671385.db2.gz GGZBZACTHPSKGM-UHFFFAOYSA-N -1 1 376.320 0.182 20 0 GCADMM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000825471598 607671711 /nfs/dbraw/zinc/67/17/11/607671711.db2.gz YHAFTPSJUQTBDE-VIFPVBQESA-N -1 1 399.864 0.602 20 0 GCADMM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000825471598 607671712 /nfs/dbraw/zinc/67/17/12/607671712.db2.gz YHAFTPSJUQTBDE-VIFPVBQESA-N -1 1 399.864 0.602 20 0 GCADMM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825471405 607671726 /nfs/dbraw/zinc/67/17/26/607671726.db2.gz TZVXNODJLXJECQ-SECBINFHSA-N -1 1 383.409 0.088 20 0 GCADMM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825471405 607671727 /nfs/dbraw/zinc/67/17/27/607671727.db2.gz TZVXNODJLXJECQ-SECBINFHSA-N -1 1 383.409 0.088 20 0 GCADMM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824407593 607673437 /nfs/dbraw/zinc/67/34/37/607673437.db2.gz YDGMAUDPHKIGPK-MRVPVSSYSA-N -1 1 377.423 0.107 20 0 GCADMM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824407593 607673439 /nfs/dbraw/zinc/67/34/39/607673439.db2.gz YDGMAUDPHKIGPK-MRVPVSSYSA-N -1 1 377.423 0.107 20 0 GCADMM CC(C)N1C(=O)N[C@@]2(CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)C1=O ZINC000824297078 607675841 /nfs/dbraw/zinc/67/58/41/607675841.db2.gz PSDYGWUZOJGSFR-OAHLLOKOSA-N -1 1 376.808 0.824 20 0 GCADMM CC(C)N1C(=O)N[C@@]2(CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)C1=O ZINC000824297078 607675842 /nfs/dbraw/zinc/67/58/42/607675842.db2.gz PSDYGWUZOJGSFR-OAHLLOKOSA-N -1 1 376.808 0.824 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@H]1CN(C)CCO1 ZINC000824640488 607676770 /nfs/dbraw/zinc/67/67/70/607676770.db2.gz JTFGOGZEKUMSDC-MWLCHTKSSA-N -1 1 386.865 0.518 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@H]1CN(C)CCO1 ZINC000824640488 607676772 /nfs/dbraw/zinc/67/67/72/607676772.db2.gz JTFGOGZEKUMSDC-MWLCHTKSSA-N -1 1 386.865 0.518 20 0 GCADMM NC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826392056 607677293 /nfs/dbraw/zinc/67/72/93/607677293.db2.gz LXEVWVCMTFDHPV-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM NC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826392056 607677295 /nfs/dbraw/zinc/67/72/95/607677295.db2.gz LXEVWVCMTFDHPV-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000827354344 604298847 /nfs/dbraw/zinc/29/88/47/604298847.db2.gz FMTTZPFLOQJNRH-UONOGXRCSA-N -1 1 385.461 0.630 20 0 GCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000827354345 604298877 /nfs/dbraw/zinc/29/88/77/604298877.db2.gz FMTTZPFLOQJNRH-ZIAGYGMSSA-N -1 1 385.461 0.630 20 0 GCADMM COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000831084510 604358458 /nfs/dbraw/zinc/35/84/58/604358458.db2.gz MJESIWVFBRLQGT-QGZVFWFLSA-N -1 1 397.859 0.763 20 0 GCADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000827002176 604444065 /nfs/dbraw/zinc/44/40/65/604444065.db2.gz WFQXGVJHRXRHGQ-MRXNPFEDSA-N -1 1 378.473 0.930 20 0 GCADMM CNc1nc(N2CCC[C@@H]2CC(=O)[O-])nc(N2CCC[C@H]2CC(=O)OC)n1 ZINC000831046253 604468680 /nfs/dbraw/zinc/46/86/80/604468680.db2.gz CFURVHHBXPIVJY-NEPJUHHUSA-N -1 1 378.433 0.311 20 0 GCADMM CNc1nc(N2CCC[C@H]2CC(=O)[O-])nc(N2CCC[C@H]2CC(=O)OC)n1 ZINC000831046255 604468895 /nfs/dbraw/zinc/46/88/95/604468895.db2.gz CFURVHHBXPIVJY-RYUDHWBXSA-N -1 1 378.433 0.311 20 0 GCADMM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000832048827 604490887 /nfs/dbraw/zinc/49/08/87/604490887.db2.gz AYCQLGBUUROGQD-GOSISDBHSA-N -1 1 379.457 0.925 20 0 GCADMM COC(=O)c1cc(NC(=O)CN(C)C[C@H]2CCN(C(C)=O)C2)cc(C(=O)[O-])c1 ZINC000833712549 604520415 /nfs/dbraw/zinc/52/04/15/604520415.db2.gz FVKNCBYFBGVQOW-CYBMUJFWSA-N -1 1 391.424 0.910 20 0 GCADMM NS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)ccc1Cl ZINC000833762156 604688801 /nfs/dbraw/zinc/68/88/01/604688801.db2.gz LQXAXACDNDIPJU-UHFFFAOYSA-N -1 1 391.814 0.881 20 0 GCADMM COC(=O)C1CCN(CCCNS(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833709552 604690148 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ZINC000820508347 606133412 /nfs/dbraw/zinc/13/34/12/606133412.db2.gz OZHCAFJLXNNSEY-RKDXNWHRSA-N -1 1 378.414 0.197 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000820508346 606133488 /nfs/dbraw/zinc/13/34/88/606133488.db2.gz OZHCAFJLXNNSEY-IUCAKERBSA-N -1 1 378.414 0.197 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000820508346 606133490 /nfs/dbraw/zinc/13/34/90/606133490.db2.gz OZHCAFJLXNNSEY-IUCAKERBSA-N -1 1 378.414 0.197 20 0 GCADMM CNC(=O)N1CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000821634229 606134765 /nfs/dbraw/zinc/13/47/65/606134765.db2.gz YDSKXIFXGAWHEK-UHFFFAOYSA-N -1 1 388.432 0.000 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000820508084 606135292 /nfs/dbraw/zinc/13/52/92/606135292.db2.gz MDKDTLYNDYQBIH-DTWKUNHWSA-N -1 1 399.454 0.119 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000820508084 606135293 /nfs/dbraw/zinc/13/52/93/606135293.db2.gz MDKDTLYNDYQBIH-DTWKUNHWSA-N -1 1 399.454 0.119 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000820508083 606135504 /nfs/dbraw/zinc/13/55/04/606135504.db2.gz MDKDTLYNDYQBIH-BDAKNGLRSA-N -1 1 399.454 0.119 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000820508083 606135506 /nfs/dbraw/zinc/13/55/06/606135506.db2.gz MDKDTLYNDYQBIH-BDAKNGLRSA-N -1 1 399.454 0.119 20 0 GCADMM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821655660 606137797 /nfs/dbraw/zinc/13/77/97/606137797.db2.gz OYUSXDVHOHZSGP-SECBINFHSA-N -1 1 393.425 0.885 20 0 GCADMM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821655660 606137798 /nfs/dbraw/zinc/13/77/98/606137798.db2.gz OYUSXDVHOHZSGP-SECBINFHSA-N -1 1 393.425 0.885 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1nnc([C@H]2CCCO2)o1 ZINC000823027482 606138508 /nfs/dbraw/zinc/13/85/08/606138508.db2.gz VGINIBFDZLPFMI-SSDOTTSWSA-N -1 1 391.369 0.958 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1nnc([C@H]2CCCO2)o1 ZINC000823027482 606138510 /nfs/dbraw/zinc/13/85/10/606138510.db2.gz VGINIBFDZLPFMI-SSDOTTSWSA-N -1 1 391.369 0.958 20 0 GCADMM Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)cn1 ZINC000822674337 606145141 /nfs/dbraw/zinc/14/51/41/606145141.db2.gz QROFACIJWPQKTG-NSHDSACASA-N -1 1 391.432 0.993 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000822620562 606154877 /nfs/dbraw/zinc/15/48/77/606154877.db2.gz WWKGKNFRMJSDCV-UHFFFAOYSA-N -1 1 388.413 0.392 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000822620562 606154881 /nfs/dbraw/zinc/15/48/81/606154881.db2.gz WWKGKNFRMJSDCV-UHFFFAOYSA-N -1 1 388.413 0.392 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)n1 ZINC000822609262 606157449 /nfs/dbraw/zinc/15/74/49/606157449.db2.gz LLWIJFVIFJXQLW-UHFFFAOYSA-N -1 1 395.427 0.980 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)n1 ZINC000822609262 606157451 /nfs/dbraw/zinc/15/74/51/606157451.db2.gz LLWIJFVIFJXQLW-UHFFFAOYSA-N -1 1 395.427 0.980 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)n1 ZINC000822609610 606158887 /nfs/dbraw/zinc/15/88/87/606158887.db2.gz RXJFEVMRKGSAQW-NSHDSACASA-N -1 1 381.400 0.807 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)n1 ZINC000822609610 606158889 /nfs/dbraw/zinc/15/88/89/606158889.db2.gz RXJFEVMRKGSAQW-NSHDSACASA-N -1 1 381.400 0.807 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(N3CCOC3=O)c2)n1 ZINC000822620608 606159797 /nfs/dbraw/zinc/15/97/97/606159797.db2.gz YTOKTNWVAMUTCK-UHFFFAOYSA-N -1 1 383.372 0.879 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(N3CCOC3=O)c2)n1 ZINC000822620608 606159799 /nfs/dbraw/zinc/15/97/99/606159799.db2.gz YTOKTNWVAMUTCK-UHFFFAOYSA-N -1 1 383.372 0.879 20 0 GCADMM CC(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820010650 606166454 /nfs/dbraw/zinc/16/64/54/606166454.db2.gz BJUYQQNDOJJEAO-LLVKDONJSA-N -1 1 375.437 0.616 20 0 GCADMM CC(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820010650 606166455 /nfs/dbraw/zinc/16/64/55/606166455.db2.gz BJUYQQNDOJJEAO-LLVKDONJSA-N -1 1 375.437 0.616 20 0 GCADMM Cc1noc([C@H](C)N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000822520347 606166712 /nfs/dbraw/zinc/16/67/12/606166712.db2.gz YNYMGZKXVAQKLV-VIFPVBQESA-N -1 1 387.408 0.202 20 0 GCADMM Cc1noc([C@H](C)N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000822520347 606166714 /nfs/dbraw/zinc/16/67/14/606166714.db2.gz YNYMGZKXVAQKLV-VIFPVBQESA-N -1 1 387.408 0.202 20 0 GCADMM CCOC(=O)N[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC(C)C ZINC000821334212 606166769 /nfs/dbraw/zinc/16/67/69/606166769.db2.gz IXIOKRHVIYWDLX-JTQLQIEISA-N -1 1 379.425 0.883 20 0 GCADMM CCOC(=O)N[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC(C)C ZINC000821334212 606166772 /nfs/dbraw/zinc/16/67/72/606166772.db2.gz IXIOKRHVIYWDLX-JTQLQIEISA-N -1 1 379.425 0.883 20 0 GCADMM CCOC(=O)N[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC(C)C ZINC000821334213 606166858 /nfs/dbraw/zinc/16/68/58/606166858.db2.gz IXIOKRHVIYWDLX-SNVBAGLBSA-N -1 1 379.425 0.883 20 0 GCADMM CCOC(=O)N[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC(C)C ZINC000821334213 606166859 /nfs/dbraw/zinc/16/68/59/606166859.db2.gz IXIOKRHVIYWDLX-SNVBAGLBSA-N -1 1 379.425 0.883 20 0 GCADMM Cc1ccc(N2CCC[C@@H](N(C)C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)nn1 ZINC000822240916 606168855 /nfs/dbraw/zinc/16/88/55/606168855.db2.gz DOFUJDBYTFAZRG-GFCCVEGCSA-N -1 1 397.447 0.831 20 0 GCADMM Cc1ccc(N2CCC[C@@H](N(C)C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)nn1 ZINC000822240916 606168856 /nfs/dbraw/zinc/16/88/56/606168856.db2.gz DOFUJDBYTFAZRG-GFCCVEGCSA-N -1 1 397.447 0.831 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)n1 ZINC000822614054 606168974 /nfs/dbraw/zinc/16/89/74/606168974.db2.gz JIYWALFCOAADLZ-CYBMUJFWSA-N -1 1 381.400 0.523 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)n1 ZINC000822614054 606168976 /nfs/dbraw/zinc/16/89/76/606168976.db2.gz JIYWALFCOAADLZ-CYBMUJFWSA-N -1 1 381.400 0.523 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)n1 ZINC000822614747 606170553 /nfs/dbraw/zinc/17/05/53/606170553.db2.gz QSGAKRNDDFQPMX-UHFFFAOYSA-N -1 1 385.388 0.620 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)n1 ZINC000822614747 606170555 /nfs/dbraw/zinc/17/05/55/606170555.db2.gz QSGAKRNDDFQPMX-UHFFFAOYSA-N -1 1 385.388 0.620 20 0 GCADMM CC(C)CNC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820093378 606171640 /nfs/dbraw/zinc/17/16/40/606171640.db2.gz XEOOEMBVLZODCZ-UHFFFAOYSA-N -1 1 375.437 0.616 20 0 GCADMM CC(C)CNC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820093378 606171642 /nfs/dbraw/zinc/17/16/42/606171642.db2.gz XEOOEMBVLZODCZ-UHFFFAOYSA-N -1 1 375.437 0.616 20 0 GCADMM O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823405171 606181125 /nfs/dbraw/zinc/18/11/25/606181125.db2.gz KBYSXAAODNWVMI-UHFFFAOYSA-N -1 1 385.428 0.363 20 0 GCADMM O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823405171 606181126 /nfs/dbraw/zinc/18/11/26/606181126.db2.gz KBYSXAAODNWVMI-UHFFFAOYSA-N -1 1 385.428 0.363 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000822459752 606192828 /nfs/dbraw/zinc/19/28/28/606192828.db2.gz VDQLIPRRQRRQFI-QWHCGFSZSA-N -1 1 382.428 0.512 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000822459752 606192829 /nfs/dbraw/zinc/19/28/29/606192829.db2.gz VDQLIPRRQRRQFI-QWHCGFSZSA-N -1 1 382.428 0.512 20 0 GCADMM O=C(CCNc1cccc(-c2nn[n-]n2)n1)N1CCN(c2ccccn2)CC1 ZINC000822968954 606215762 /nfs/dbraw/zinc/21/57/62/606215762.db2.gz FQOLFAMNVXSYLQ-UHFFFAOYSA-N -1 1 379.428 0.808 20 0 GCADMM Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCO2)cn1 ZINC000822674134 606239903 /nfs/dbraw/zinc/23/99/03/606239903.db2.gz LUYWZKFUHLQTTI-LBPRGKRZSA-N -1 1 393.404 0.502 20 0 GCADMM Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCO2)cn1 ZINC000822674134 606239904 /nfs/dbraw/zinc/23/99/04/606239904.db2.gz LUYWZKFUHLQTTI-LBPRGKRZSA-N -1 1 393.404 0.502 20 0 GCADMM CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000821119308 606281551 /nfs/dbraw/zinc/28/15/51/606281551.db2.gz WXHJLYLACSOKJF-UHFFFAOYSA-N -1 1 384.400 0.567 20 0 GCADMM CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821588510 606293061 /nfs/dbraw/zinc/29/30/61/606293061.db2.gz WMZMVIHTAVXHSZ-UHFFFAOYSA-N -1 1 377.386 0.403 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000823289096 606294307 /nfs/dbraw/zinc/29/43/07/606294307.db2.gz BDWSREVHVAAVGT-GFCCVEGCSA-N -1 1 379.380 0.955 20 0 GCADMM NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000822899839 606294564 /nfs/dbraw/zinc/29/45/64/606294564.db2.gz VLCPHAIZLPSCRV-UHFFFAOYSA-N -1 1 390.381 0.237 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCC[C@H](O)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821979690 606297647 /nfs/dbraw/zinc/29/76/47/606297647.db2.gz UZHJFVZBYYUUEU-ZETCQYMHSA-N -1 1 378.336 0.732 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCN1C1CC1 ZINC000823535759 606335296 /nfs/dbraw/zinc/33/52/96/606335296.db2.gz GZEVJBREWZRCHI-UHFFFAOYSA-N -1 1 382.833 0.515 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCN1C1CC1 ZINC000823535759 606335297 /nfs/dbraw/zinc/33/52/97/606335297.db2.gz GZEVJBREWZRCHI-UHFFFAOYSA-N -1 1 382.833 0.515 20 0 GCADMM CNS(=O)(=O)CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821636371 606360878 /nfs/dbraw/zinc/36/08/78/606360878.db2.gz OUURJKDYXMNCFB-UHFFFAOYSA-N -1 1 392.466 0.761 20 0 GCADMM COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821662628 606395926 /nfs/dbraw/zinc/39/59/26/606395926.db2.gz LCOPZISNRHDDIP-UHFFFAOYSA-N -1 1 392.372 0.769 20 0 GCADMM COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821662628 606395928 /nfs/dbraw/zinc/39/59/28/606395928.db2.gz LCOPZISNRHDDIP-UHFFFAOYSA-N -1 1 392.372 0.769 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2c(F)cccc2OC(F)F)n(C)c1=O ZINC000822601031 606419694 /nfs/dbraw/zinc/41/96/94/606419694.db2.gz SIIIOEJTMVZOCP-UHFFFAOYSA-N -1 1 397.317 0.617 20 0 GCADMM CCN1C(=O)[C@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCN2C1=O ZINC000821240090 606430400 /nfs/dbraw/zinc/43/04/00/606430400.db2.gz DWEIAUCOLRTYGB-OAHLLOKOSA-N -1 1 378.396 0.888 20 0 GCADMM CCN1C(=O)[C@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCN2C1=O ZINC000821240090 606430401 /nfs/dbraw/zinc/43/04/01/606430401.db2.gz DWEIAUCOLRTYGB-OAHLLOKOSA-N -1 1 378.396 0.888 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc2nnc(C3CC3)n2n1 ZINC000821601676 606443631 /nfs/dbraw/zinc/44/36/31/606443631.db2.gz ULUOGJRAOWFRAV-UHFFFAOYSA-N -1 1 380.420 0.556 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc2nnc(C3CC3)n2n1 ZINC000821601676 606443633 /nfs/dbraw/zinc/44/36/33/606443633.db2.gz ULUOGJRAOWFRAV-UHFFFAOYSA-N -1 1 380.420 0.556 20 0 GCADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820768256 606472289 /nfs/dbraw/zinc/47/22/89/606472289.db2.gz LZMYNWCYSKARAZ-PWSUYJOCSA-N -1 1 388.457 0.892 20 0 GCADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820768256 606472290 /nfs/dbraw/zinc/47/22/90/606472290.db2.gz LZMYNWCYSKARAZ-PWSUYJOCSA-N -1 1 388.457 0.892 20 0 GCADMM Cc1ccccc1[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H](C)CO1 ZINC000822351615 606476141 /nfs/dbraw/zinc/47/61/41/606476141.db2.gz PLLVKAJSJVTAPR-GXTWGEPZSA-N -1 1 397.439 0.539 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000823478954 606492691 /nfs/dbraw/zinc/49/26/91/606492691.db2.gz XPGHJOOXEFDKGW-MNOVXSKESA-N -1 1 397.482 0.737 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000823478954 606492692 /nfs/dbraw/zinc/49/26/92/606492692.db2.gz XPGHJOOXEFDKGW-MNOVXSKESA-N -1 1 397.482 0.737 20 0 GCADMM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820877042 606523142 /nfs/dbraw/zinc/52/31/42/606523142.db2.gz YPTYTFKJRKAISB-LLVKDONJSA-N -1 1 377.474 0.601 20 0 GCADMM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820877042 606523144 /nfs/dbraw/zinc/52/31/44/606523144.db2.gz YPTYTFKJRKAISB-LLVKDONJSA-N -1 1 377.474 0.601 20 0 GCADMM CCOc1ccccc1N1C[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1=O ZINC000821437585 606531861 /nfs/dbraw/zinc/53/18/61/606531861.db2.gz PPKNNPXWPNPYBU-SNVBAGLBSA-N -1 1 382.384 0.980 20 0 GCADMM CCOc1ccccc1N1C[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1=O ZINC000821437585 606531863 /nfs/dbraw/zinc/53/18/63/606531863.db2.gz PPKNNPXWPNPYBU-SNVBAGLBSA-N -1 1 382.384 0.980 20 0 GCADMM CCOc1ccc(N2C[C@@H](C(=O)Nc3n[nH]cc3-c3nnn[n-]3)CC2=O)cc1 ZINC000821421907 606532292 /nfs/dbraw/zinc/53/22/92/606532292.db2.gz IGQNGQIQWRGXKO-JTQLQIEISA-N -1 1 382.384 0.980 20 0 GCADMM CCOc1ccc(N2C[C@@H](C(=O)Nc3n[nH]cc3-c3nn[n-]n3)CC2=O)cc1 ZINC000821421907 606532294 /nfs/dbraw/zinc/53/22/94/606532294.db2.gz IGQNGQIQWRGXKO-JTQLQIEISA-N -1 1 382.384 0.980 20 0 GCADMM CC(=O)N1CCN([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@@H]2C)CC1 ZINC000819796763 606550826 /nfs/dbraw/zinc/55/08/26/606550826.db2.gz OJSQVBJWDFUTNB-WCQYABFASA-N -1 1 389.485 0.553 20 0 GCADMM NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822869585 606551120 /nfs/dbraw/zinc/55/11/20/606551120.db2.gz YZAQAMMDSGVLHI-UHFFFAOYSA-N -1 1 385.409 0.786 20 0 GCADMM NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822869585 606551122 /nfs/dbraw/zinc/55/11/22/606551122.db2.gz YZAQAMMDSGVLHI-UHFFFAOYSA-N -1 1 385.409 0.786 20 0 GCADMM Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)n(C)n1 ZINC000822206998 606578022 /nfs/dbraw/zinc/57/80/22/606578022.db2.gz HNVSEKFJXGGJBG-SNVBAGLBSA-N -1 1 386.441 0.896 20 0 GCADMM Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)n(C)n1 ZINC000822206998 606578023 /nfs/dbraw/zinc/57/80/23/606578023.db2.gz HNVSEKFJXGGJBG-SNVBAGLBSA-N -1 1 386.441 0.896 20 0 GCADMM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC000820770199 606584500 /nfs/dbraw/zinc/58/45/00/606584500.db2.gz ZLCUSHMXMXRLQK-WCQYABFASA-N -1 1 393.473 0.440 20 0 GCADMM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC000820770199 606584502 /nfs/dbraw/zinc/58/45/02/606584502.db2.gz ZLCUSHMXMXRLQK-WCQYABFASA-N -1 1 393.473 0.440 20 0 GCADMM COC(=O)[C@@]1(F)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821653803 606585301 /nfs/dbraw/zinc/58/53/01/606585301.db2.gz LOJFZBSCGMMVCR-CQSZACIVSA-N -1 1 382.377 0.416 20 0 GCADMM CNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1F ZINC000821637920 606585334 /nfs/dbraw/zinc/58/53/34/606585334.db2.gz ZGEMKFNSYGXIFC-UHFFFAOYSA-N -1 1 392.372 0.872 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1-c1nn[n-]n1 ZINC000821979611 606585339 /nfs/dbraw/zinc/58/53/39/606585339.db2.gz UIXMXWXRXJHHOX-ZETCQYMHSA-N -1 1 375.414 0.182 20 0 GCADMM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821636335 606623437 /nfs/dbraw/zinc/62/34/37/606623437.db2.gz NZNVNNNEGCZZST-NSHDSACASA-N -1 1 397.461 0.029 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000822006174 606625953 /nfs/dbraw/zinc/62/59/53/606625953.db2.gz YONOAWQRUPVHFI-GWCFXTLKSA-N -1 1 390.444 0.827 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000821970449 606635094 /nfs/dbraw/zinc/63/50/94/606635094.db2.gz OASRZBZJPLFCIX-RKDXNWHRSA-N -1 1 380.430 0.613 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1(CC(N)=O)CCC1 ZINC000822459575 606642335 /nfs/dbraw/zinc/64/23/35/606642335.db2.gz SQQUJLYVQZWNDT-UHFFFAOYSA-N -1 1 397.443 0.373 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1(CC(N)=O)CCC1 ZINC000822459575 606642336 /nfs/dbraw/zinc/64/23/36/606642336.db2.gz SQQUJLYVQZWNDT-UHFFFAOYSA-N -1 1 397.443 0.373 20 0 GCADMM COc1nc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ncc1Br ZINC000821910460 606642849 /nfs/dbraw/zinc/64/28/49/606642849.db2.gz BAACWWLVCVPSKN-UHFFFAOYSA-N -1 1 395.225 0.778 20 0 GCADMM CCOCCC1(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCCC1 ZINC000821373342 606720772 /nfs/dbraw/zinc/72/07/72/606720772.db2.gz GSPVNYBLYVXELT-UHFFFAOYSA-N -1 1 377.449 0.663 20 0 GCADMM COCCC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCC1 ZINC000821685330 606738362 /nfs/dbraw/zinc/73/83/62/606738362.db2.gz AALDBEQYMQJWDB-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM COCCC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCC1 ZINC000821685330 606738363 /nfs/dbraw/zinc/73/83/63/606738363.db2.gz AALDBEQYMQJWDB-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)[nH]1 ZINC000822435983 606738499 /nfs/dbraw/zinc/73/84/99/606738499.db2.gz DPFFHMVILVOJAX-SNVBAGLBSA-N -1 1 375.418 0.257 20 0 GCADMM COc1coc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1=O ZINC000821911597 606751738 /nfs/dbraw/zinc/75/17/38/606751738.db2.gz ZUFQEAZAZIFWQN-LLVKDONJSA-N -1 1 384.400 0.329 20 0 GCADMM COc1coc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1=O ZINC000821911597 606751739 /nfs/dbraw/zinc/75/17/39/606751739.db2.gz ZUFQEAZAZIFWQN-LLVKDONJSA-N -1 1 384.400 0.329 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000822535254 606752448 /nfs/dbraw/zinc/75/24/48/606752448.db2.gz LFTLQCZFEUWMCS-CHWSQXEVSA-N -1 1 383.412 0.714 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000822535254 606752450 /nfs/dbraw/zinc/75/24/50/606752450.db2.gz LFTLQCZFEUWMCS-CHWSQXEVSA-N -1 1 383.412 0.714 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccncc1 ZINC000820788295 606762605 /nfs/dbraw/zinc/76/26/05/606762605.db2.gz CJZDYYZZPNYMME-GFCCVEGCSA-N -1 1 380.416 0.472 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccncc1 ZINC000820788295 606762606 /nfs/dbraw/zinc/76/26/06/606762606.db2.gz CJZDYYZZPNYMME-GFCCVEGCSA-N -1 1 380.416 0.472 20 0 GCADMM C[C@@H](Cn1ccnc1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820307874 606762995 /nfs/dbraw/zinc/76/29/95/606762995.db2.gz QHNVEZTWTMKZGY-STQMWFEESA-N -1 1 397.447 0.162 20 0 GCADMM C[C@@H](Cn1ccnc1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820307874 606762996 /nfs/dbraw/zinc/76/29/96/606762996.db2.gz QHNVEZTWTMKZGY-STQMWFEESA-N -1 1 397.447 0.162 20 0 GCADMM CCn1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000821565557 606763333 /nfs/dbraw/zinc/76/33/33/606763333.db2.gz YQCJMBYKUQTZGW-LLVKDONJSA-N -1 1 383.420 0.616 20 0 GCADMM CCn1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000821565557 606763335 /nfs/dbraw/zinc/76/33/35/606763335.db2.gz YQCJMBYKUQTZGW-LLVKDONJSA-N -1 1 383.420 0.616 20 0 GCADMM Cn1cnnc1C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822705158 606763863 /nfs/dbraw/zinc/76/38/63/606763863.db2.gz XOEDDEXTABVJRQ-UHFFFAOYSA-N -1 1 392.420 0.703 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC[C@H]1CCCO1 ZINC000820788240 606764499 /nfs/dbraw/zinc/76/44/99/606764499.db2.gz BHMOKRVNMJIYTE-VXGBXAGGSA-N -1 1 389.489 0.221 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC[C@H]1CCCO1 ZINC000820788240 606764501 /nfs/dbraw/zinc/76/45/01/606764501.db2.gz BHMOKRVNMJIYTE-VXGBXAGGSA-N -1 1 389.489 0.221 20 0 GCADMM CSCCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821962929 606765413 /nfs/dbraw/zinc/76/54/13/606765413.db2.gz YVBDYCJPPDMBBK-NSHDSACASA-N -1 1 393.546 0.795 20 0 GCADMM CSCCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821962929 606765416 /nfs/dbraw/zinc/76/54/16/606765416.db2.gz YVBDYCJPPDMBBK-NSHDSACASA-N -1 1 393.546 0.795 20 0 GCADMM COC[C@@H](C)NC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821683025 606765539 /nfs/dbraw/zinc/76/55/39/606765539.db2.gz TZJWSZAWKWDVRW-MNOVXSKESA-N -1 1 377.478 0.077 20 0 GCADMM COC[C@@H](C)NC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821683025 606765540 /nfs/dbraw/zinc/76/55/40/606765540.db2.gz TZJWSZAWKWDVRW-MNOVXSKESA-N -1 1 377.478 0.077 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000820788632 606767314 /nfs/dbraw/zinc/76/73/14/606767314.db2.gz KYLVFJRFVPQSBC-NSHDSACASA-N -1 1 396.415 0.098 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000820788632 606767315 /nfs/dbraw/zinc/76/73/15/606767315.db2.gz KYLVFJRFVPQSBC-NSHDSACASA-N -1 1 396.415 0.098 20 0 GCADMM Cc1nnc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000822510448 606768433 /nfs/dbraw/zinc/76/84/33/606768433.db2.gz NJSAGFNDLQOYMN-MRVPVSSYSA-N -1 1 387.433 0.559 20 0 GCADMM Cc1nnc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000822510448 606768435 /nfs/dbraw/zinc/76/84/35/606768435.db2.gz NJSAGFNDLQOYMN-MRVPVSSYSA-N -1 1 387.433 0.559 20 0 GCADMM Cc1nnc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000822510449 606768740 /nfs/dbraw/zinc/76/87/40/606768740.db2.gz NJSAGFNDLQOYMN-QMMMGPOBSA-N -1 1 387.433 0.559 20 0 GCADMM Cc1nnc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000822510449 606768741 /nfs/dbraw/zinc/76/87/41/606768741.db2.gz NJSAGFNDLQOYMN-QMMMGPOBSA-N -1 1 387.433 0.559 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1ncn(C2CC2)c1=S ZINC000820803678 606769238 /nfs/dbraw/zinc/76/92/38/606769238.db2.gz FDWVPUFZRAROFY-LLVKDONJSA-N -1 1 399.488 0.887 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1ncn(C2CC2)c1=S ZINC000820803678 606769239 /nfs/dbraw/zinc/76/92/39/606769239.db2.gz FDWVPUFZRAROFY-LLVKDONJSA-N -1 1 399.488 0.887 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C(=O)C(C)(C)C1(C)C ZINC000820804565 606769526 /nfs/dbraw/zinc/76/95/26/606769526.db2.gz VDTAIQNGPBBYDT-GFCCVEGCSA-N -1 1 385.476 0.772 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C(=O)C(C)(C)C1(C)C ZINC000820804565 606769527 /nfs/dbraw/zinc/76/95/27/606769527.db2.gz VDTAIQNGPBBYDT-GFCCVEGCSA-N -1 1 385.476 0.772 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2nn[n-]n2)c1C ZINC000822549000 606771097 /nfs/dbraw/zinc/77/10/97/606771097.db2.gz REPOCVXIMDZZQM-QWHCGFSZSA-N -1 1 376.417 0.895 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCS(=O)(=O)C(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000822540381 606776645 /nfs/dbraw/zinc/77/66/45/606776645.db2.gz AALAVYADWLBMIF-SNVBAGLBSA-N -1 1 396.473 0.913 20 0 GCADMM C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820705683 606777398 /nfs/dbraw/zinc/77/73/98/606777398.db2.gz WGWHGMKRMMPSTE-RBSFLKMASA-N -1 1 399.503 0.862 20 0 GCADMM C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820705683 606777399 /nfs/dbraw/zinc/77/73/99/606777399.db2.gz WGWHGMKRMMPSTE-RBSFLKMASA-N -1 1 399.503 0.862 20 0 GCADMM C[C@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820788297 606777708 /nfs/dbraw/zinc/77/77/08/606777708.db2.gz CLDDXOKVDYDXDS-KBPBESRZSA-N -1 1 385.476 0.568 20 0 GCADMM C[C@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820788297 606777710 /nfs/dbraw/zinc/77/77/10/606777710.db2.gz CLDDXOKVDYDXDS-KBPBESRZSA-N -1 1 385.476 0.568 20 0 GCADMM C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820788734 606779529 /nfs/dbraw/zinc/77/95/29/606779529.db2.gz NDYSWOBMQQARAM-ZNMIVQPWSA-N -1 1 399.503 0.957 20 0 GCADMM C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820788734 606779531 /nfs/dbraw/zinc/77/95/31/606779531.db2.gz NDYSWOBMQQARAM-ZNMIVQPWSA-N -1 1 399.503 0.957 20 0 GCADMM CCOCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821378460 606787329 /nfs/dbraw/zinc/78/73/29/606787329.db2.gz OPNAKWQXPRMHSG-LBPRGKRZSA-N -1 1 375.437 0.303 20 0 GCADMM CCOCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821378460 606787330 /nfs/dbraw/zinc/78/73/30/606787330.db2.gz OPNAKWQXPRMHSG-LBPRGKRZSA-N -1 1 375.437 0.303 20 0 GCADMM CCOCCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821373817 606787409 /nfs/dbraw/zinc/78/74/09/606787409.db2.gz MPPLXGNBNBWWFF-ZDUSSCGKSA-N -1 1 389.464 0.694 20 0 GCADMM CCOCCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821373817 606787411 /nfs/dbraw/zinc/78/74/11/606787411.db2.gz MPPLXGNBNBWWFF-ZDUSSCGKSA-N -1 1 389.464 0.694 20 0 GCADMM C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820308194 606788320 /nfs/dbraw/zinc/78/83/20/606788320.db2.gz UCOBXLZYIZPADT-STQMWFEESA-N -1 1 397.447 0.162 20 0 GCADMM C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820308194 606788322 /nfs/dbraw/zinc/78/83/22/606788322.db2.gz UCOBXLZYIZPADT-STQMWFEESA-N -1 1 397.447 0.162 20 0 GCADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCO[C@@H](CNc2cccnn2)C1 ZINC000823816405 606789576 /nfs/dbraw/zinc/78/95/76/606789576.db2.gz UXXUOKHPAPIHRW-LBPRGKRZSA-N -1 1 390.411 0.917 20 0 GCADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCO[C@@H](CNc2cccnn2)C1 ZINC000823816405 606789578 /nfs/dbraw/zinc/78/95/78/606789578.db2.gz UXXUOKHPAPIHRW-LBPRGKRZSA-N -1 1 390.411 0.917 20 0 GCADMM Cc1noc(C)c1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822523659 606791783 /nfs/dbraw/zinc/79/17/83/606791783.db2.gz SAPZVUIQSMROKA-JTQLQIEISA-N -1 1 398.431 0.682 20 0 GCADMM Cc1noc(C)c1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822523659 606791785 /nfs/dbraw/zinc/79/17/85/606791785.db2.gz SAPZVUIQSMROKA-JTQLQIEISA-N -1 1 398.431 0.682 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@]1(C)CCOC1 ZINC000820788282 606792171 /nfs/dbraw/zinc/79/21/71/606792171.db2.gz CBEJPUUNMPPDAU-YVEFUNNKSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@]1(C)CCOC1 ZINC000820788282 606792173 /nfs/dbraw/zinc/79/21/73/606792173.db2.gz CBEJPUUNMPPDAU-YVEFUNNKSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)[C@@H]1CCOC1 ZINC000820348657 606793339 /nfs/dbraw/zinc/79/33/39/606793339.db2.gz FNBHHMZDCOLBSO-FRRDWIJNSA-N -1 1 387.448 0.302 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)[C@@H]1CCOC1 ZINC000820348657 606793340 /nfs/dbraw/zinc/79/33/40/606793340.db2.gz FNBHHMZDCOLBSO-FRRDWIJNSA-N -1 1 387.448 0.302 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccn(C)c1 ZINC000820788748 606793939 /nfs/dbraw/zinc/79/39/39/606793939.db2.gz NHIBVRQBFLHZNB-LBPRGKRZSA-N -1 1 382.432 0.416 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccn(C)c1 ZINC000820788748 606793941 /nfs/dbraw/zinc/79/39/41/606793941.db2.gz NHIBVRQBFLHZNB-LBPRGKRZSA-N -1 1 382.432 0.416 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccc(O)c1 ZINC000820789076 606794114 /nfs/dbraw/zinc/79/41/14/606794114.db2.gz VHRVPDCFKSDXBM-LBPRGKRZSA-N -1 1 395.427 0.783 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccc(O)c1 ZINC000820789076 606794117 /nfs/dbraw/zinc/79/41/17/606794117.db2.gz VHRVPDCFKSDXBM-LBPRGKRZSA-N -1 1 395.427 0.783 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1CCCCO1 ZINC000820788669 606794196 /nfs/dbraw/zinc/79/41/96/606794196.db2.gz LYBXDEHHFXSZCF-QWHCGFSZSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1CCCCO1 ZINC000820788669 606794197 /nfs/dbraw/zinc/79/41/97/606794197.db2.gz LYBXDEHHFXSZCF-QWHCGFSZSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccn1C ZINC000820788418 606794206 /nfs/dbraw/zinc/79/42/06/606794206.db2.gz GUJSGOCPUPVVPO-LBPRGKRZSA-N -1 1 382.432 0.416 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccn1C ZINC000820788418 606794208 /nfs/dbraw/zinc/79/42/08/606794208.db2.gz GUJSGOCPUPVVPO-LBPRGKRZSA-N -1 1 382.432 0.416 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCn1cccc1 ZINC000820788929 606795592 /nfs/dbraw/zinc/79/55/92/606795592.db2.gz RLLSUMXGSFUWGG-CYBMUJFWSA-N -1 1 382.432 0.379 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCn1cccc1 ZINC000820788929 606795594 /nfs/dbraw/zinc/79/55/94/606795594.db2.gz RLLSUMXGSFUWGG-CYBMUJFWSA-N -1 1 382.432 0.379 20 0 GCADMM Cc1nc2c(cnn2C)c(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822449557 606807901 /nfs/dbraw/zinc/80/79/01/606807901.db2.gz DNHYBOGFHXWCPY-JTQLQIEISA-N -1 1 392.431 0.357 20 0 GCADMM Cc1nc2c(cnn2C)c(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822449557 606807902 /nfs/dbraw/zinc/80/79/02/606807902.db2.gz DNHYBOGFHXWCPY-JTQLQIEISA-N -1 1 392.431 0.357 20 0 GCADMM COC(=O)C(C)(C)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821637576 606816891 /nfs/dbraw/zinc/81/68/91/606816891.db2.gz LUOSBFLGMFMOAQ-UHFFFAOYSA-N -1 1 376.417 0.832 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822197623 606818931 /nfs/dbraw/zinc/81/89/31/606818931.db2.gz IOTMWTTXYYTBHK-CYBMUJFWSA-N -1 1 382.432 0.207 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822197623 606818932 /nfs/dbraw/zinc/81/89/32/606818932.db2.gz IOTMWTTXYYTBHK-CYBMUJFWSA-N -1 1 382.432 0.207 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccn1 ZINC000820774338 606819360 /nfs/dbraw/zinc/81/93/60/606819360.db2.gz AXQOQTKIBIPBBS-ZDUSSCGKSA-N -1 1 379.428 0.722 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccn1 ZINC000820774338 606819361 /nfs/dbraw/zinc/81/93/61/606819361.db2.gz AXQOQTKIBIPBBS-ZDUSSCGKSA-N -1 1 379.428 0.722 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000821769247 606820770 /nfs/dbraw/zinc/82/07/70/606820770.db2.gz FRBYDIGIHDRXKU-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000821769247 606820772 /nfs/dbraw/zinc/82/07/72/606820772.db2.gz FRBYDIGIHDRXKU-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cnn(C)c1 ZINC000820778091 606821763 /nfs/dbraw/zinc/82/17/63/606821763.db2.gz VMZBSIZVOKCOOI-PCAWENJQSA-N -1 1 380.416 0.141 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cnn(C)c1 ZINC000820778091 606821765 /nfs/dbraw/zinc/82/17/65/606821765.db2.gz VMZBSIZVOKCOOI-PCAWENJQSA-N -1 1 380.416 0.141 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cnn(C)c1 ZINC000820778092 606821796 /nfs/dbraw/zinc/82/17/96/606821796.db2.gz VMZBSIZVOKCOOI-VSQXVHSFSA-N -1 1 380.416 0.141 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cnn(C)c1 ZINC000820778092 606821797 /nfs/dbraw/zinc/82/17/97/606821797.db2.gz VMZBSIZVOKCOOI-VSQXVHSFSA-N -1 1 380.416 0.141 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)n(C)n1 ZINC000820788335 606821832 /nfs/dbraw/zinc/82/18/32/606821832.db2.gz DPLZZVMNRNMLSM-LLVKDONJSA-N -1 1 394.443 0.619 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)n(C)n1 ZINC000820788335 606821833 /nfs/dbraw/zinc/82/18/33/606821833.db2.gz DPLZZVMNRNMLSM-LLVKDONJSA-N -1 1 394.443 0.619 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(N(C)C)c1 ZINC000820788627 606821864 /nfs/dbraw/zinc/82/18/64/606821864.db2.gz KXMNSFUBCFBQLF-GFCCVEGCSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(N(C)C)c1 ZINC000820788627 606821865 /nfs/dbraw/zinc/82/18/65/606821865.db2.gz KXMNSFUBCFBQLF-GFCCVEGCSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000820788313 606821894 /nfs/dbraw/zinc/82/18/94/606821894.db2.gz DBQBLJVBZDGPAV-JTQLQIEISA-N -1 1 380.416 0.608 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000820788313 606821895 /nfs/dbraw/zinc/82/18/95/606821895.db2.gz DBQBLJVBZDGPAV-JTQLQIEISA-N -1 1 380.416 0.608 20 0 GCADMM Cc1cnn(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822403888 606822746 /nfs/dbraw/zinc/82/27/46/606822746.db2.gz YYBKVYQQSJVWSN-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cnn(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822403888 606822747 /nfs/dbraw/zinc/82/27/47/606822747.db2.gz YYBKVYQQSJVWSN-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1COc2ccccc21 ZINC000820776368 606823030 /nfs/dbraw/zinc/82/30/30/606823030.db2.gz LSJCWFCEPXRGSU-OCCSQVGLSA-N -1 1 392.423 0.870 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1COc2ccccc21 ZINC000820776368 606823031 /nfs/dbraw/zinc/82/30/31/606823031.db2.gz LSJCWFCEPXRGSU-OCCSQVGLSA-N -1 1 392.423 0.870 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccnc1 ZINC000819857673 606824171 /nfs/dbraw/zinc/82/41/71/606824171.db2.gz UBPWOVSVADNYGX-QWHCGFSZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccnc1 ZINC000819857673 606824173 /nfs/dbraw/zinc/82/41/73/606824173.db2.gz UBPWOVSVADNYGX-QWHCGFSZSA-N -1 1 379.428 0.893 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822199067 606825550 /nfs/dbraw/zinc/82/55/50/606825550.db2.gz VAQAUJZBQXJUNA-CQSZACIVSA-N -1 1 396.459 0.597 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822199067 606825552 /nfs/dbraw/zinc/82/55/52/606825552.db2.gz VAQAUJZBQXJUNA-CQSZACIVSA-N -1 1 396.459 0.597 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccnc1 ZINC000820774349 606829072 /nfs/dbraw/zinc/82/90/72/606829072.db2.gz BFXSIXUNMAMLSM-DSYXLKISSA-N -1 1 377.412 0.802 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccnc1 ZINC000820774349 606829074 /nfs/dbraw/zinc/82/90/74/606829074.db2.gz BFXSIXUNMAMLSM-DSYXLKISSA-N -1 1 377.412 0.802 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN(C)c1ccccc1 ZINC000820774412 606829079 /nfs/dbraw/zinc/82/90/79/606829079.db2.gz CHCQAVNMBCXPBS-CQSZACIVSA-N -1 1 393.455 0.830 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN(C)c1ccccc1 ZINC000820774412 606829080 /nfs/dbraw/zinc/82/90/80/606829080.db2.gz CHCQAVNMBCXPBS-CQSZACIVSA-N -1 1 393.455 0.830 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccnc1 ZINC000820774352 606829396 /nfs/dbraw/zinc/82/93/96/606829396.db2.gz BFXSIXUNMAMLSM-ZFDPJTLLSA-N -1 1 377.412 0.802 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccnc1 ZINC000820774352 606829397 /nfs/dbraw/zinc/82/93/97/606829397.db2.gz BFXSIXUNMAMLSM-ZFDPJTLLSA-N -1 1 377.412 0.802 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1nccn2ccnc12 ZINC000820789104 606830030 /nfs/dbraw/zinc/83/00/30/606830030.db2.gz VOSMDZOSHQARBR-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1nccn2ccnc12 ZINC000820789104 606830031 /nfs/dbraw/zinc/83/00/31/606830031.db2.gz VOSMDZOSHQARBR-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CSCCS1 ZINC000820776917 606831801 /nfs/dbraw/zinc/83/18/01/606831801.db2.gz NSLQGGQFUZPQLX-QWRGUYRKSA-N -1 1 392.514 0.542 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CSCCS1 ZINC000820776917 606831802 /nfs/dbraw/zinc/83/18/02/606831802.db2.gz NSLQGGQFUZPQLX-QWRGUYRKSA-N -1 1 392.514 0.542 20 0 GCADMM Cc1cccc2nc(CNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)n(C)c21 ZINC000822340654 606831949 /nfs/dbraw/zinc/83/19/49/606831949.db2.gz BHTOFFFXIMXSHF-UHFFFAOYSA-N -1 1 381.400 0.071 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(CCc2cccc(F)c2)C2CC2)n(C)c1=O ZINC000822601204 606835372 /nfs/dbraw/zinc/83/53/72/606835372.db2.gz VNNMAVJVHXCGBV-UHFFFAOYSA-N -1 1 385.403 0.615 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCCSC1 ZINC000820788559 606835804 /nfs/dbraw/zinc/83/58/04/606835804.db2.gz JPCGYJWMKPYITA-RYUDHWBXSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCCSC1 ZINC000820788559 606835806 /nfs/dbraw/zinc/83/58/06/606835806.db2.gz JPCGYJWMKPYITA-RYUDHWBXSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCCSC1 ZINC000820788558 606835947 /nfs/dbraw/zinc/83/59/47/606835947.db2.gz JPCGYJWMKPYITA-NWDGAFQWSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCCSC1 ZINC000820788558 606835948 /nfs/dbraw/zinc/83/59/48/606835948.db2.gz JPCGYJWMKPYITA-NWDGAFQWSA-N -1 1 389.489 0.772 20 0 GCADMM CCc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n(C)n1 ZINC000821469603 606836259 /nfs/dbraw/zinc/83/62/59/606836259.db2.gz HAZSPGIHEFWIQA-LLVKDONJSA-N -1 1 397.447 0.695 20 0 GCADMM CCc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n(C)n1 ZINC000821469603 606836260 /nfs/dbraw/zinc/83/62/60/606836260.db2.gz HAZSPGIHEFWIQA-LLVKDONJSA-N -1 1 397.447 0.695 20 0 GCADMM CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821613625 606842857 /nfs/dbraw/zinc/84/28/57/606842857.db2.gz VSDGNVOTVAWJBT-UHFFFAOYSA-N -1 1 390.400 0.925 20 0 GCADMM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000821552998 606844073 /nfs/dbraw/zinc/84/40/73/606844073.db2.gz DJAAHCRPJWZRAS-UHFFFAOYSA-N -1 1 378.393 0.364 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823606259 606847424 /nfs/dbraw/zinc/84/74/24/606847424.db2.gz HSTMNBZZVVAGMI-CHWSQXEVSA-N -1 1 383.405 0.574 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823605711 606847552 /nfs/dbraw/zinc/84/75/52/606847552.db2.gz ACKHHRJXVUKYAE-RYUDHWBXSA-N -1 1 383.405 0.574 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823605711 606847554 /nfs/dbraw/zinc/84/75/54/606847554.db2.gz ACKHHRJXVUKYAE-RYUDHWBXSA-N -1 1 383.405 0.574 20 0 GCADMM CC[C@@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820870015 606847790 /nfs/dbraw/zinc/84/77/90/606847790.db2.gz LAEPYYNZSLDFDA-VXGBXAGGSA-N -1 1 380.478 0.543 20 0 GCADMM CC[C@@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820870015 606847792 /nfs/dbraw/zinc/84/77/92/606847792.db2.gz LAEPYYNZSLDFDA-VXGBXAGGSA-N -1 1 380.478 0.543 20 0 GCADMM CCC[C@@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821016414 606848474 /nfs/dbraw/zinc/84/84/74/606848474.db2.gz WKTZBMCWXWMWII-CHWSQXEVSA-N -1 1 394.505 0.933 20 0 GCADMM CCC[C@@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821016414 606848476 /nfs/dbraw/zinc/84/84/76/606848476.db2.gz WKTZBMCWXWMWII-CHWSQXEVSA-N -1 1 394.505 0.933 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccc(O)cc1 ZINC000820788530 606852792 /nfs/dbraw/zinc/85/27/92/606852792.db2.gz JHJSCWQFXJDILL-LBPRGKRZSA-N -1 1 395.427 0.512 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccc(O)cc1 ZINC000820788530 606852794 /nfs/dbraw/zinc/85/27/94/606852794.db2.gz JHJSCWQFXJDILL-LBPRGKRZSA-N -1 1 395.427 0.512 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(N(C)C)ccn1 ZINC000820788470 606854867 /nfs/dbraw/zinc/85/48/67/606854867.db2.gz HUAXNZGPSWVVPC-LBPRGKRZSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(N(C)C)ccn1 ZINC000820788470 606854868 /nfs/dbraw/zinc/85/48/68/606854868.db2.gz HUAXNZGPSWVVPC-LBPRGKRZSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@@H](CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)CS(C)(=O)=O ZINC000820261719 606878754 /nfs/dbraw/zinc/87/87/54/606878754.db2.gz PARIBNCBTKMIQW-NSHDSACASA-N -1 1 395.489 0.535 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2csc(-c3ccco3)n2)n(C)c1=O ZINC000822600015 606880921 /nfs/dbraw/zinc/88/09/21/606880921.db2.gz IQELDYMFEGIZJI-UHFFFAOYSA-N -1 1 386.397 0.593 20 0 GCADMM C[C@H](c1ccccc1)N(CC(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822004526 606898080 /nfs/dbraw/zinc/89/80/80/606898080.db2.gz IPHIRALOFLAXOB-LLVKDONJSA-N -1 1 387.425 0.499 20 0 GCADMM C[C@H](c1ccccc1)N(CC(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822004526 606898082 /nfs/dbraw/zinc/89/80/82/606898082.db2.gz IPHIRALOFLAXOB-LLVKDONJSA-N -1 1 387.425 0.499 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@@H](C)CS(C)(=O)=O ZINC000822010115 606898195 /nfs/dbraw/zinc/89/81/95/606898195.db2.gz OISCJHLSSHKJHJ-SECBINFHSA-N -1 1 397.457 0.741 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@H](C)CS(C)(=O)=O ZINC000822010116 606898421 /nfs/dbraw/zinc/89/84/21/606898421.db2.gz OISCJHLSSHKJHJ-VIFPVBQESA-N -1 1 397.457 0.741 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000820776668 606901881 /nfs/dbraw/zinc/90/18/81/606901881.db2.gz MFMQWQQRMWXJBP-RYUDHWBXSA-N -1 1 394.443 0.537 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000820776668 606901883 /nfs/dbraw/zinc/90/18/83/606901883.db2.gz MFMQWQQRMWXJBP-RYUDHWBXSA-N -1 1 394.443 0.537 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000820776666 606902178 /nfs/dbraw/zinc/90/21/78/606902178.db2.gz MFMQWQQRMWXJBP-NWDGAFQWSA-N -1 1 394.443 0.537 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000820776666 606902181 /nfs/dbraw/zinc/90/21/81/606902181.db2.gz MFMQWQQRMWXJBP-NWDGAFQWSA-N -1 1 394.443 0.537 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000822609854 606956259 /nfs/dbraw/zinc/95/62/59/606956259.db2.gz XGEOOMRQUCMDFA-DZGCQCFKSA-N -1 1 398.427 0.957 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000822609854 606956260 /nfs/dbraw/zinc/95/62/60/606956260.db2.gz XGEOOMRQUCMDFA-DZGCQCFKSA-N -1 1 398.427 0.957 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CC1CCCC1 ZINC000820804775 607003822 /nfs/dbraw/zinc/00/38/22/607003822.db2.gz YYNFXWLXGTYLDG-LBPRGKRZSA-N -1 1 392.489 0.687 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CC1CCCC1 ZINC000820804775 607003824 /nfs/dbraw/zinc/00/38/24/607003824.db2.gz YYNFXWLXGTYLDG-LBPRGKRZSA-N -1 1 392.489 0.687 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc2n1CCCC2 ZINC000820443858 607005180 /nfs/dbraw/zinc/00/51/80/607005180.db2.gz ABADAHWZWPPPFP-VIFPVBQESA-N -1 1 375.418 0.229 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc2n1CCCC2 ZINC000820443858 607005182 /nfs/dbraw/zinc/00/51/82/607005182.db2.gz ABADAHWZWPPPFP-VIFPVBQESA-N -1 1 375.418 0.229 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)OCc1ccccc1 ZINC000822968874 607005977 /nfs/dbraw/zinc/00/59/77/607005977.db2.gz DCVYHZKGWSATNF-UHFFFAOYSA-N -1 1 388.409 0.674 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)OCc1ccccc1 ZINC000822968874 607005979 /nfs/dbraw/zinc/00/59/79/607005979.db2.gz DCVYHZKGWSATNF-UHFFFAOYSA-N -1 1 388.409 0.674 20 0 GCADMM O=C(Cn1cc(Br)ccc1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823118585 607024849 /nfs/dbraw/zinc/02/48/49/607024849.db2.gz GXQCSUYYDXIWPI-UHFFFAOYSA-N -1 1 382.203 0.886 20 0 GCADMM O=C(Cn1cc(Br)ccc1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823118585 607024852 /nfs/dbraw/zinc/02/48/52/607024852.db2.gz GXQCSUYYDXIWPI-UHFFFAOYSA-N -1 1 382.203 0.886 20 0 GCADMM C[C@]1([C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820612743 607028988 /nfs/dbraw/zinc/02/89/88/607028988.db2.gz IDROVNRSBALBJU-DAZKTRTLSA-N -1 1 382.837 0.791 20 0 GCADMM C[C@]1([C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820612743 607028989 /nfs/dbraw/zinc/02/89/89/607028989.db2.gz IDROVNRSBALBJU-DAZKTRTLSA-N -1 1 382.837 0.791 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccco2)C[C@H]2CCCO2)n(C)c1=O ZINC000822601337 607041900 /nfs/dbraw/zinc/04/19/00/607041900.db2.gz XVHOJDFCDMDHOG-GFCCVEGCSA-N -1 1 387.400 0.043 20 0 GCADMM O=C1NCCC[C@@H]1N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823548285 607102705 /nfs/dbraw/zinc/10/27/05/607102705.db2.gz VUFXQXQPTKTIQY-NSHDSACASA-N -1 1 384.400 0.515 20 0 GCADMM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820384626 607104345 /nfs/dbraw/zinc/10/43/45/607104345.db2.gz JHODTDAPDSISBP-ZETCQYMHSA-N -1 1 383.397 0.957 20 0 GCADMM C[C@H](c1ccccc1)n1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000820570401 607118642 /nfs/dbraw/zinc/11/86/42/607118642.db2.gz JFDVTZSWPXJESW-LLVKDONJSA-N -1 1 393.411 0.814 20 0 GCADMM COC(=O)[C@]1(C)CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821651587 607137555 /nfs/dbraw/zinc/13/75/55/607137555.db2.gz BXTJEFVUBCBSAK-GOSISDBHSA-N -1 1 388.428 0.928 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccc(O)cc1 ZINC000820774777 607141810 /nfs/dbraw/zinc/14/18/10/607141810.db2.gz FVMBPNXXCNBZIA-LBPRGKRZSA-N -1 1 380.412 0.642 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccc(O)cc1 ZINC000820774777 607141812 /nfs/dbraw/zinc/14/18/12/607141812.db2.gz FVMBPNXXCNBZIA-LBPRGKRZSA-N -1 1 380.412 0.642 20 0 GCADMM COC(=O)[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821652734 607144031 /nfs/dbraw/zinc/14/40/31/607144031.db2.gz YUTDJDBWSMCCTK-OAHLLOKOSA-N -1 1 378.414 0.714 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCS[C@@H]2COCC[C@H]21 ZINC000823601297 607146255 /nfs/dbraw/zinc/14/62/55/607146255.db2.gz ZLLHGLRIAQPETK-CHWSQXEVSA-N -1 1 385.446 0.901 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOC2(CCOCC2)C1 ZINC000823600979 607146262 /nfs/dbraw/zinc/14/62/62/607146262.db2.gz NJPSZTYJOSPENT-UHFFFAOYSA-N -1 1 383.405 0.576 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCS[C@@H]2COCC[C@H]21 ZINC000823607418 607146644 /nfs/dbraw/zinc/14/66/44/607146644.db2.gz UYSHMVWHBGDFPV-GHMZBOCLSA-N -1 1 385.446 0.901 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCS[C@@H]2COCC[C@H]21 ZINC000823607418 607146645 /nfs/dbraw/zinc/14/66/45/607146645.db2.gz UYSHMVWHBGDFPV-GHMZBOCLSA-N -1 1 385.446 0.901 20 0 GCADMM O=C(c1cc[nH]c(=O)c1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823472332 607155988 /nfs/dbraw/zinc/15/59/88/607155988.db2.gz ILICDOOUDOQDIK-UHFFFAOYSA-N -1 1 382.384 0.795 20 0 GCADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])S(=O)(=O)C1CCOCC1 ZINC000819867989 607157265 /nfs/dbraw/zinc/15/72/65/607157265.db2.gz WRKVDDSSWHAVCQ-VIFPVBQESA-N -1 1 381.414 0.493 20 0 GCADMM CS[C@@H](CO)[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821948607 607187087 /nfs/dbraw/zinc/18/70/87/607187087.db2.gz CXFTWWGCMMYJOZ-JQWIXIFHSA-N -1 1 380.474 0.745 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@](C)(CO)C1CC1 ZINC000822458621 607187237 /nfs/dbraw/zinc/18/72/37/607187237.db2.gz GCLWVXOFYFGXKM-SFHVURJKSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@](C)(CO)C1CC1 ZINC000822458621 607187238 /nfs/dbraw/zinc/18/72/38/607187238.db2.gz GCLWVXOFYFGXKM-SFHVURJKSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000822005399 607187774 /nfs/dbraw/zinc/18/77/74/607187774.db2.gz QVEQAORFRLUJHG-JOYOIKCWSA-N -1 1 376.417 0.125 20 0 GCADMM CN(Cc1ccc(Br)s1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821609812 607205847 /nfs/dbraw/zinc/20/58/47/607205847.db2.gz MUPDVCZXBLXWJV-UHFFFAOYSA-N -1 1 383.235 0.941 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000823136049 607206509 /nfs/dbraw/zinc/20/65/09/607206509.db2.gz HNYNVDQGLMIYAA-UHFFFAOYSA-N -1 1 379.340 0.942 20 0 GCADMM Cn1ccnc1Sc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822699262 607206714 /nfs/dbraw/zinc/20/67/14/607206714.db2.gz UFBMOSGMFQIXFL-UHFFFAOYSA-N -1 1 382.413 0.982 20 0 GCADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1N1CCCCC1=O ZINC000821831924 607208086 /nfs/dbraw/zinc/20/80/86/607208086.db2.gz SPOFNDGWRPGEQA-UHFFFAOYSA-N -1 1 397.399 0.622 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(OCC(F)(F)F)nc1 ZINC000823131235 607208442 /nfs/dbraw/zinc/20/84/42/607208442.db2.gz DGICLIYQZZBBFH-UHFFFAOYSA-N -1 1 383.294 0.111 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1ccc(N2CCCCC2)cc1 ZINC000823132033 607208466 /nfs/dbraw/zinc/20/84/66/607208466.db2.gz WDRUKWAJQSHIMX-UHFFFAOYSA-N -1 1 381.444 0.807 20 0 GCADMM CCOC(=O)c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1Cl ZINC000821337550 607209520 /nfs/dbraw/zinc/20/95/20/607209520.db2.gz JJPJJDDWFBKFFK-UHFFFAOYSA-N -1 1 376.764 0.927 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000823131730 607209931 /nfs/dbraw/zinc/20/99/31/607209931.db2.gz MTKZPWYSCXEILJ-UHFFFAOYSA-N -1 1 396.415 0.402 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000823122395 607209955 /nfs/dbraw/zinc/20/99/55/607209955.db2.gz ACOLVCTUUSNNOT-UHFFFAOYSA-N -1 1 378.400 0.741 20 0 GCADMM CCCCCCN(CCN1CCOCC1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821056114 607210223 /nfs/dbraw/zinc/21/02/23/607210223.db2.gz LFYDHWTVTAVVQI-UHFFFAOYSA-N -1 1 391.480 0.199 20 0 GCADMM O=C(CC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1)NC1CCCC1 ZINC000822945338 607210553 /nfs/dbraw/zinc/21/05/53/607210553.db2.gz BKFLDDYOQBVFNI-UHFFFAOYSA-N -1 1 387.448 0.146 20 0 GCADMM C[C@H](Cc1cccc(Br)c1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820301693 607210938 /nfs/dbraw/zinc/21/09/38/607210938.db2.gz ZLQSIAGYNVJXND-SECBINFHSA-N -1 1 391.233 0.968 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000820335136 607211158 /nfs/dbraw/zinc/21/11/58/607211158.db2.gz UAVZNFQBGQTEHF-JTQLQIEISA-N -1 1 383.372 0.292 20 0 GCADMM Cc1cc(Oc2ncccn2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822211800 607211424 /nfs/dbraw/zinc/21/14/24/607211424.db2.gz OXOOXUCBQBRPIC-UHFFFAOYSA-N -1 1 378.356 0.988 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000823126047 607211648 /nfs/dbraw/zinc/21/16/48/607211648.db2.gz GHHJOUMFIHDCRO-JTQLQIEISA-N -1 1 389.370 0.379 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1cc(Br)ccc1F ZINC000823131978 607211651 /nfs/dbraw/zinc/21/16/51/607211651.db2.gz TWTFQDFGUWFGEQ-UHFFFAOYSA-N -1 1 395.196 0.719 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000823136247 607211819 /nfs/dbraw/zinc/21/18/19/607211819.db2.gz QKACQEBUPUIWRR-LBPRGKRZSA-N -1 1 380.372 0.825 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000823127198 607211894 /nfs/dbraw/zinc/21/18/94/607211894.db2.gz WKWXFAQUQDXDLC-LLVKDONJSA-N -1 1 387.835 0.754 20 0 GCADMM CCCCNC(=O)C1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCCC1 ZINC000821065771 607212422 /nfs/dbraw/zinc/21/24/22/607212422.db2.gz MRCPAISRRCZSKI-UHFFFAOYSA-N -1 1 375.437 0.194 20 0 GCADMM COc1ccc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC(F)F ZINC000821790291 607212566 /nfs/dbraw/zinc/21/25/66/607212566.db2.gz MQHXGGFXBSIUJP-UHFFFAOYSA-N -1 1 394.342 0.427 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1nc(-c2ccncc2)cs1 ZINC000823132067 607213080 /nfs/dbraw/zinc/21/30/80/607213080.db2.gz YAWBUEBKYARBCP-UHFFFAOYSA-N -1 1 382.413 0.336 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000823125688 607213710 /nfs/dbraw/zinc/21/37/10/607213710.db2.gz AXAKDPGWDQMXOM-LBPRGKRZSA-N -1 1 376.327 0.337 20 0 GCADMM C[C@H](c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1)N1CCOCC1 ZINC000820562064 607214263 /nfs/dbraw/zinc/21/42/63/607214263.db2.gz DJVSDIWLSAUVKN-GFCCVEGCSA-N -1 1 383.416 0.490 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCOc1cccc2cccnc21 ZINC000823131937 607214723 /nfs/dbraw/zinc/21/47/23/607214723.db2.gz RKMPIWDCWZLYAJ-UHFFFAOYSA-N -1 1 379.384 0.592 20 0 GCADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821321177 607214948 /nfs/dbraw/zinc/21/49/48/607214948.db2.gz VLYOEDHLFNXDLH-CYBMUJFWSA-N -1 1 384.400 0.091 20 0 GCADMM Cc1nc(COc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)no1 ZINC000822444247 607215384 /nfs/dbraw/zinc/21/53/84/607215384.db2.gz IQIVXNFPXYBUMM-UHFFFAOYSA-N -1 1 382.344 0.367 20 0 GCADMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820057125 607215750 /nfs/dbraw/zinc/21/57/50/607215750.db2.gz WYGOAFXFPPPXLM-NSHDSACASA-N -1 1 393.452 0.514 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000823126966 607215892 /nfs/dbraw/zinc/21/58/92/607215892.db2.gz PAALIAWCXATUFB-SNVBAGLBSA-N -1 1 375.343 0.132 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1cc(C(N)=O)no1 ZINC000822540404 607216377 /nfs/dbraw/zinc/21/63/77/607216377.db2.gz ALQHKHNBHOQMNH-UHFFFAOYSA-N -1 1 382.340 0.576 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1cc(C(N)=O)no1 ZINC000822540404 607216378 /nfs/dbraw/zinc/21/63/78/607216378.db2.gz ALQHKHNBHOQMNH-UHFFFAOYSA-N -1 1 382.340 0.576 20 0 GCADMM CC(C)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OCc1ccccc1 ZINC000820108569 607216646 /nfs/dbraw/zinc/21/66/46/607216646.db2.gz NIZXGAHMFDQJTL-AWEZNQCLSA-N -1 1 398.427 0.733 20 0 GCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000821572147 607217613 /nfs/dbraw/zinc/21/76/13/607217613.db2.gz SVDGOMILFGKHOP-ZDUSSCGKSA-N -1 1 381.400 0.112 20 0 GCADMM CCOc1cc(CCCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1OC ZINC000821395564 607218039 /nfs/dbraw/zinc/21/80/39/607218039.db2.gz ZGXJSHNFLUGQSL-UHFFFAOYSA-N -1 1 386.416 0.615 20 0 GCADMM CCc1ccc(CN2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)s1 ZINC000821487875 607218108 /nfs/dbraw/zinc/21/81/08/607218108.db2.gz ZUDJLMAWKVCLAF-UHFFFAOYSA-N -1 1 387.473 0.427 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000823136434 607219921 /nfs/dbraw/zinc/21/99/21/607219921.db2.gz ZWXKFAWRACGHAM-UHFFFAOYSA-N -1 1 390.367 0.744 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000823123016 607220253 /nfs/dbraw/zinc/22/02/53/607220253.db2.gz KWSZESUTPHJWRN-QMMMGPOBSA-N -1 1 396.337 0.606 20 0 GCADMM CN(Cc1nccn1Cc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821617993 607220358 /nfs/dbraw/zinc/22/03/58/607220358.db2.gz LALQIDCQQWPBRH-UHFFFAOYSA-N -1 1 378.400 0.362 20 0 GCADMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000820098016 607220678 /nfs/dbraw/zinc/22/06/78/607220678.db2.gz VSUJUQQGZKEYHF-SNVBAGLBSA-N -1 1 390.408 0.233 20 0 GCADMM CN(C)c1cc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc2n1 ZINC000821588335 607220779 /nfs/dbraw/zinc/22/07/79/607220779.db2.gz NBHKYBHOGQOJID-UHFFFAOYSA-N -1 1 378.400 0.389 20 0 GCADMM CCOCCOCc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1C ZINC000821384290 607220829 /nfs/dbraw/zinc/22/08/29/607220829.db2.gz STOYFEVWJBJWNF-UHFFFAOYSA-N -1 1 386.416 0.958 20 0 GCADMM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821653940 607220992 /nfs/dbraw/zinc/22/09/92/607220992.db2.gz PESOSPUEPSPTEW-QWHCGFSZSA-N -1 1 388.432 0.429 20 0 GCADMM COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000821663786 607221505 /nfs/dbraw/zinc/22/15/05/607221505.db2.gz OBLRZVOSAGURRG-NSHDSACASA-N -1 1 390.791 0.532 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1nccn1CCc1ccccc1 ZINC000823131240 607222463 /nfs/dbraw/zinc/22/24/63/607222463.db2.gz DGMRMJLMBJUEKF-UHFFFAOYSA-N -1 1 378.400 0.214 20 0 GCADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(O[C@H]2CCOC2)c1 ZINC000822237143 607223184 /nfs/dbraw/zinc/22/31/84/607223184.db2.gz HIQOQTFOCVFNOM-ZDUSSCGKSA-N -1 1 384.400 0.251 20 0 GCADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819928845 607223360 /nfs/dbraw/zinc/22/33/60/607223360.db2.gz YRZWGKSVMRNWNU-NSHDSACASA-N -1 1 376.421 0.429 20 0 GCADMM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819928843 607223442 /nfs/dbraw/zinc/22/34/42/607223442.db2.gz YRZWGKSVMRNWNU-LLVKDONJSA-N -1 1 376.421 0.429 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000823487816 607224031 /nfs/dbraw/zinc/22/40/31/607224031.db2.gz HYJHZOOGIYETOG-UHFFFAOYSA-N -1 1 382.384 0.285 20 0 GCADMM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820908753 607234259 /nfs/dbraw/zinc/23/42/59/607234259.db2.gz QBBWYDJIEWYDAJ-CQSZACIVSA-N -1 1 395.423 0.944 20 0 GCADMM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820908753 607234260 /nfs/dbraw/zinc/23/42/60/607234260.db2.gz QBBWYDJIEWYDAJ-CQSZACIVSA-N -1 1 395.423 0.944 20 0 GCADMM Cc1nn(C)c(C)c1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC000822487071 607239192 /nfs/dbraw/zinc/23/91/92/607239192.db2.gz ZVXLLDCOQRIMIQ-SNVBAGLBSA-N -1 1 384.326 0.228 20 0 GCADMM CCN(CCS(C)(=O)=O)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825424777 607801179 /nfs/dbraw/zinc/80/11/79/607801179.db2.gz QKTABDWHXUNINM-JTQLQIEISA-N -1 1 384.462 0.770 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](OCc2ccccn2)C1 ZINC000826494406 607818907 /nfs/dbraw/zinc/81/89/07/607818907.db2.gz APWOJBRMOIPREI-ZDUSSCGKSA-N -1 1 387.425 0.637 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](OCc2ccccn2)C1 ZINC000826494406 607818908 /nfs/dbraw/zinc/81/89/08/607818908.db2.gz APWOJBRMOIPREI-ZDUSSCGKSA-N -1 1 387.425 0.637 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826340845 607825838 /nfs/dbraw/zinc/82/58/38/607825838.db2.gz MTOBDNKMNAHDOJ-SECBINFHSA-N -1 1 378.414 0.722 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826340845 607825839 /nfs/dbraw/zinc/82/58/39/607825839.db2.gz MTOBDNKMNAHDOJ-SECBINFHSA-N -1 1 378.414 0.722 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOC[C@@H](C)C1 ZINC000826328543 607826507 /nfs/dbraw/zinc/82/65/07/607826507.db2.gz VGRHHJLKJRWNDA-NSHDSACASA-N -1 1 384.444 0.954 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOC[C@@H](C)C1 ZINC000826328543 607826508 /nfs/dbraw/zinc/82/65/08/607826508.db2.gz VGRHHJLKJRWNDA-NSHDSACASA-N -1 1 384.444 0.954 20 0 GCADMM O=C(NC1(CO)CC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826427043 607832119 /nfs/dbraw/zinc/83/21/19/607832119.db2.gz DHBGLDYBQMLBKB-UHFFFAOYSA-N -1 1 399.411 0.972 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)[C@@H]2C1 ZINC000826145534 607852668 /nfs/dbraw/zinc/85/26/68/607852668.db2.gz IKTJJHDRZYMJKM-BNOWGMLFSA-N -1 1 397.432 0.963 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)[C@H]2C1 ZINC000826145852 607853121 /nfs/dbraw/zinc/85/31/21/607853121.db2.gz MYGSTARSUGNHOH-DDTOSNHZSA-N -1 1 380.430 0.219 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)[C@H]2C1 ZINC000826145852 607853122 /nfs/dbraw/zinc/85/31/22/607853122.db2.gz MYGSTARSUGNHOH-DDTOSNHZSA-N -1 1 380.430 0.219 20 0 GCADMM CCOC(=O)c1cnn(C)c1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825565790 607865969 /nfs/dbraw/zinc/86/59/69/607865969.db2.gz YNRFWPLVSLTVEP-UHFFFAOYSA-N -1 1 389.347 0.934 20 0 GCADMM CCOC(=O)c1cnn(C)c1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825565790 607865970 /nfs/dbraw/zinc/86/59/70/607865970.db2.gz YNRFWPLVSLTVEP-UHFFFAOYSA-N -1 1 389.347 0.934 20 0 GCADMM CCOC(=O)c1cnn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000825570716 607866727 /nfs/dbraw/zinc/86/67/27/607866727.db2.gz NOMHSFYOONPQTQ-LBPRGKRZSA-N -1 1 398.431 0.198 20 0 GCADMM CCOC(=O)c1cnn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000825570716 607866728 /nfs/dbraw/zinc/86/67/28/607866728.db2.gz NOMHSFYOONPQTQ-LBPRGKRZSA-N -1 1 398.431 0.198 20 0 GCADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1C(N)=O ZINC000826211625 607867710 /nfs/dbraw/zinc/86/77/10/607867710.db2.gz NDAQFUCIYJRMDT-UHFFFAOYSA-N -1 1 393.356 0.881 20 0 GCADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1C(N)=O ZINC000826211625 607867711 /nfs/dbraw/zinc/86/77/11/607867711.db2.gz NDAQFUCIYJRMDT-UHFFFAOYSA-N -1 1 393.356 0.881 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826090994 607881261 /nfs/dbraw/zinc/88/12/61/607881261.db2.gz UHWMWTAAWQYRDI-SECBINFHSA-N -1 1 376.398 0.859 20 0 GCADMM O=C(CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)Nc1ccccc1F ZINC000826411429 607904132 /nfs/dbraw/zinc/90/41/32/607904132.db2.gz XSOQGDTUYCTJAH-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM O=C(CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)Nc1ccccc1F ZINC000826411429 607904133 /nfs/dbraw/zinc/90/41/33/607904133.db2.gz XSOQGDTUYCTJAH-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(-n2ccnn2)cc1 ZINC000824641604 607906920 /nfs/dbraw/zinc/90/69/20/607906920.db2.gz XJJRZERWXWCZIU-NSHDSACASA-N -1 1 397.424 0.882 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(-n2ccnn2)cc1 ZINC000824641604 607906921 /nfs/dbraw/zinc/90/69/21/607906921.db2.gz XJJRZERWXWCZIU-NSHDSACASA-N -1 1 397.424 0.882 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825210469 607906956 /nfs/dbraw/zinc/90/69/56/607906956.db2.gz HGGPFDVOZHHEBG-YPMHNXCESA-N -1 1 396.448 0.931 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825210469 607906957 /nfs/dbraw/zinc/90/69/57/607906957.db2.gz HGGPFDVOZHHEBG-YPMHNXCESA-N -1 1 396.448 0.931 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825211604 607907227 /nfs/dbraw/zinc/90/72/27/607907227.db2.gz NMBBUVWOKIGNKL-WCQYABFASA-N -1 1 379.446 0.187 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825211604 607907228 /nfs/dbraw/zinc/90/72/28/607907228.db2.gz NMBBUVWOKIGNKL-WCQYABFASA-N -1 1 379.446 0.187 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825211607 607907239 /nfs/dbraw/zinc/90/72/39/607907239.db2.gz NMBBUVWOKIGNKL-YPMHNXCESA-N -1 1 379.446 0.187 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825211607 607907240 /nfs/dbraw/zinc/90/72/40/607907240.db2.gz NMBBUVWOKIGNKL-YPMHNXCESA-N -1 1 379.446 0.187 20 0 GCADMM COC[C@@H](CCO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826149262 607908103 /nfs/dbraw/zinc/90/81/03/607908103.db2.gz DMADFKKIYJYPLH-SNVBAGLBSA-N -1 1 378.458 0.988 20 0 GCADMM C[C@@]1(c2cccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2)NC(=O)NC1=O ZINC000824843403 607915308 /nfs/dbraw/zinc/91/53/08/607915308.db2.gz DPQZPBMOFWWIMJ-SFHVURJKSA-N -1 1 393.363 0.673 20 0 GCADMM C[C@@]1(c2cccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC000824843403 607915309 /nfs/dbraw/zinc/91/53/09/607915309.db2.gz DPQZPBMOFWWIMJ-SFHVURJKSA-N -1 1 393.363 0.673 20 0 GCADMM CCOc1ccc(Cl)cc1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000825638075 607915391 /nfs/dbraw/zinc/91/53/91/607915391.db2.gz DKONHTWZBWYMKC-UHFFFAOYSA-N -1 1 376.808 0.869 20 0 GCADMM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824447676 607937289 /nfs/dbraw/zinc/93/72/89/607937289.db2.gz APRSWSNLQMBXCP-ZETCQYMHSA-N -1 1 379.851 0.232 20 0 GCADMM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824447676 607937290 /nfs/dbraw/zinc/93/72/90/607937290.db2.gz APRSWSNLQMBXCP-ZETCQYMHSA-N -1 1 379.851 0.232 20 0 GCADMM CCCN(CC(=O)N(C)C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825308279 607961672 /nfs/dbraw/zinc/96/16/72/607961672.db2.gz ZLJZUCGUTOPIDG-UHFFFAOYSA-N -1 1 379.446 0.630 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C1(C(N)=O)CCCC1 ZINC000826233056 607963381 /nfs/dbraw/zinc/96/33/81/607963381.db2.gz SCXDCAQKEZPWKJ-UHFFFAOYSA-N -1 1 387.444 0.773 20 0 GCADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000823968225 607967062 /nfs/dbraw/zinc/96/70/62/607967062.db2.gz XQMUQHGITAVUNK-GFCCVEGCSA-N -1 1 398.431 0.791 20 0 GCADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000823968225 607967063 /nfs/dbraw/zinc/96/70/63/607967063.db2.gz XQMUQHGITAVUNK-GFCCVEGCSA-N -1 1 398.431 0.791 20 0 GCADMM O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489396 607971527 /nfs/dbraw/zinc/97/15/27/607971527.db2.gz OOLLMDPAFDAMFJ-DOMZBBRYSA-N -1 1 375.385 0.942 20 0 GCADMM O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489396 607971528 /nfs/dbraw/zinc/97/15/28/607971528.db2.gz OOLLMDPAFDAMFJ-DOMZBBRYSA-N -1 1 375.385 0.942 20 0 GCADMM COC(=O)[C@]1([N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCSC1 ZINC000826123802 607973240 /nfs/dbraw/zinc/97/32/40/607973240.db2.gz KWRVGKAVSLDFIQ-AWEZNQCLSA-N -1 1 383.455 0.335 20 0 GCADMM CCn1cc(C(=O)C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cn1 ZINC000825799839 607980519 /nfs/dbraw/zinc/98/05/19/607980519.db2.gz SWGXBUOMLIJMBM-UHFFFAOYSA-N -1 1 387.356 0.658 20 0 GCADMM O=S(=O)(NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccs1 ZINC000826488567 607989503 /nfs/dbraw/zinc/98/95/03/607989503.db2.gz SZWUDESFVFZWNY-UHFFFAOYSA-N -1 1 392.470 0.666 20 0 GCADMM O=S(=O)(NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccs1 ZINC000826488567 607989504 /nfs/dbraw/zinc/98/95/04/607989504.db2.gz SZWUDESFVFZWNY-UHFFFAOYSA-N -1 1 392.470 0.666 20 0 GCADMM CCS(=O)(=O)CCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825663786 607991777 /nfs/dbraw/zinc/99/17/77/607991777.db2.gz WBYYSFUURIVVCY-JTQLQIEISA-N -1 1 384.462 0.770 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826495801 608001142 /nfs/dbraw/zinc/00/11/42/608001142.db2.gz BTJPGXJXBKVCIV-LLVKDONJSA-N -1 1 382.421 0.101 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826495801 608001143 /nfs/dbraw/zinc/00/11/43/608001143.db2.gz BTJPGXJXBKVCIV-LLVKDONJSA-N -1 1 382.421 0.101 20 0 GCADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccc(F)cc1 ZINC000826103685 608006980 /nfs/dbraw/zinc/00/69/80/608006980.db2.gz KUDGOURHWPLTCQ-CQSZACIVSA-N -1 1 386.343 0.751 20 0 GCADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccc(F)cc1 ZINC000826103685 608006981 /nfs/dbraw/zinc/00/69/81/608006981.db2.gz KUDGOURHWPLTCQ-CQSZACIVSA-N -1 1 386.343 0.751 20 0 GCADMM COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)c(F)c1 ZINC000826103660 608008550 /nfs/dbraw/zinc/00/85/50/608008550.db2.gz JREOJJMIJIIOKX-LLVKDONJSA-N -1 1 394.754 0.281 20 0 GCADMM CS(=O)(=O)N1CCCc2cc(C(=O)Cn3ccnc3-c3nnn[n-]3)ccc21 ZINC000826223698 608012700 /nfs/dbraw/zinc/01/27/00/608012700.db2.gz WOJPOHYUVNMVNR-UHFFFAOYSA-N -1 1 387.425 0.658 20 0 GCADMM CS(=O)(=O)N1CCCc2cc(C(=O)Cn3ccnc3-c3nn[n-]n3)ccc21 ZINC000826223698 608012701 /nfs/dbraw/zinc/01/27/01/608012701.db2.gz WOJPOHYUVNMVNR-UHFFFAOYSA-N -1 1 387.425 0.658 20 0 GCADMM CCOC(=O)C1=C(Cn2ccnc2-c2nnn[n-]2)NC(=O)N[C@@H]1c1ccco1 ZINC000825499875 608012827 /nfs/dbraw/zinc/01/28/27/608012827.db2.gz WLADNOVEBFFVJU-GFCCVEGCSA-N -1 1 384.356 0.528 20 0 GCADMM CCOC(=O)C1=C(Cn2ccnc2-c2nn[n-]n2)NC(=O)N[C@@H]1c1ccco1 ZINC000825499875 608012828 /nfs/dbraw/zinc/01/28/28/608012828.db2.gz WLADNOVEBFFVJU-GFCCVEGCSA-N -1 1 384.356 0.528 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCC(S(N)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000826342050 608040462 /nfs/dbraw/zinc/04/04/62/608040462.db2.gz WOYLWKBTOGAXMK-SECBINFHSA-N -1 1 397.461 0.156 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ncccc2F)CC1 ZINC000826494450 608056054 /nfs/dbraw/zinc/05/60/54/608056054.db2.gz CQJAYAIEUAXUKP-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ncccc2F)CC1 ZINC000826494450 608056055 /nfs/dbraw/zinc/05/60/55/608056055.db2.gz CQJAYAIEUAXUKP-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM COC(=O)[C@@H](CC(F)F)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826103815 608088550 /nfs/dbraw/zinc/08/85/50/608088550.db2.gz LIHOXLQVMHCXAV-SNVBAGLBSA-N -1 1 398.370 0.830 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nnc(-c3cccc(Cl)c3)o2)c1=O ZINC000826356861 608096032 /nfs/dbraw/zinc/09/60/32/608096032.db2.gz IRKMFXPLFLZURA-UHFFFAOYSA-N -1 1 386.759 0.479 20 0 GCADMM CC(C)CNC(=O)c1cccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c1 ZINC000824266580 608096119 /nfs/dbraw/zinc/09/61/19/608096119.db2.gz NJUGJDLDEHAGQR-UHFFFAOYSA-N -1 1 383.412 0.161 20 0 GCADMM COc1ccc(-c2nnc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)s2)cc1 ZINC000826181970 608101866 /nfs/dbraw/zinc/10/18/66/608101866.db2.gz VEEWAOBCLDQCQD-UHFFFAOYSA-N -1 1 384.385 0.624 20 0 GCADMM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CN1 ZINC000826478696 608111806 /nfs/dbraw/zinc/11/18/06/608111806.db2.gz IBMKJRXPUDRWKP-CMPLNLGQSA-N -1 1 394.432 0.685 20 0 GCADMM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CN1 ZINC000826478696 608111807 /nfs/dbraw/zinc/11/18/07/608111807.db2.gz IBMKJRXPUDRWKP-CMPLNLGQSA-N -1 1 394.432 0.685 20 0 GCADMM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824464113 608114417 /nfs/dbraw/zinc/11/44/17/608114417.db2.gz DPPYSVICGHSPCC-NSHDSACASA-N -1 1 376.380 0.790 20 0 GCADMM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824464113 608114418 /nfs/dbraw/zinc/11/44/18/608114418.db2.gz DPPYSVICGHSPCC-NSHDSACASA-N -1 1 376.380 0.790 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOCC2(CCOCC2)C1 ZINC000826495992 608128728 /nfs/dbraw/zinc/12/87/28/608128728.db2.gz IETSOUWNMUYEJP-UHFFFAOYSA-N -1 1 397.432 0.824 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOCC2(CCOCC2)C1 ZINC000826495992 608128729 /nfs/dbraw/zinc/12/87/29/608128729.db2.gz IETSOUWNMUYEJP-UHFFFAOYSA-N -1 1 397.432 0.824 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCN1CCOCC1=O ZINC000826340577 608147064 /nfs/dbraw/zinc/14/70/64/608147064.db2.gz DASBKNXMBCQWRD-UHFFFAOYSA-N -1 1 386.368 0.574 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCN1CCOCC1=O ZINC000826340577 608147065 /nfs/dbraw/zinc/14/70/65/608147065.db2.gz DASBKNXMBCQWRD-UHFFFAOYSA-N -1 1 386.368 0.574 20 0 GCADMM CCOC(=O)c1c(NC(=O)Cn2ccnc2-c2nnn[n-]2)oc(C)c1C(C)=O ZINC000825559219 608148473 /nfs/dbraw/zinc/14/84/73/608148473.db2.gz DSNFSAKTZNTDCM-UHFFFAOYSA-N -1 1 387.356 0.983 20 0 GCADMM CCOC(=O)c1c(NC(=O)Cn2ccnc2-c2nn[n-]n2)oc(C)c1C(C)=O ZINC000825559219 608148474 /nfs/dbraw/zinc/14/84/74/608148474.db2.gz DSNFSAKTZNTDCM-UHFFFAOYSA-N -1 1 387.356 0.983 20 0 GCADMM O=S(=O)(CCC1CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826485046 608149410 /nfs/dbraw/zinc/14/94/10/608149410.db2.gz ZXWNQRGBQWHTLO-UHFFFAOYSA-N -1 1 393.473 0.984 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825759280 608163680 /nfs/dbraw/zinc/16/36/80/608163680.db2.gz BFMYDANWMFNWEE-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825759280 608163682 /nfs/dbraw/zinc/16/36/82/608163682.db2.gz BFMYDANWMFNWEE-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM NC(=O)c1ccc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)nc1 ZINC000826393440 608177788 /nfs/dbraw/zinc/17/77/88/608177788.db2.gz SBMZYQBYBOHZKC-UHFFFAOYSA-N -1 1 391.848 0.797 20 0 GCADMM NC(=O)c1ccc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)nc1 ZINC000826393440 608177790 /nfs/dbraw/zinc/17/77/90/608177790.db2.gz SBMZYQBYBOHZKC-UHFFFAOYSA-N -1 1 391.848 0.797 20 0 GCADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824858577 608179806 /nfs/dbraw/zinc/17/98/06/608179806.db2.gz KRZDBXUNRMUQQJ-BZPMIXESSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824858577 608179808 /nfs/dbraw/zinc/17/98/08/608179808.db2.gz KRZDBXUNRMUQQJ-BZPMIXESSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000826425844 608180541 /nfs/dbraw/zinc/18/05/41/608180541.db2.gz WKXXDFHUMVQJNQ-SECBINFHSA-N -1 1 391.798 0.646 20 0 GCADMM CCC1(CC)[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H](C)[C@H]1OC ZINC000825171233 608197434 /nfs/dbraw/zinc/19/74/34/608197434.db2.gz NQRVGAIJYLWHBA-YUSALJHKSA-N -1 1 377.449 0.516 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](O)c1c(F)cccc1Cl ZINC000824492447 608202295 /nfs/dbraw/zinc/20/22/95/608202295.db2.gz ZAGZPWYQPHFBCE-KRTXAFLBSA-N -1 1 380.771 0.489 20 0 GCADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2nc[nH]n2)no1 ZINC000824235302 608202377 /nfs/dbraw/zinc/20/23/77/608202377.db2.gz FFWSYKSKIWIGNB-NSHDSACASA-N -1 1 395.387 0.947 20 0 GCADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2nc[nH]n2)no1 ZINC000824235302 608202379 /nfs/dbraw/zinc/20/23/79/608202379.db2.gz FFWSYKSKIWIGNB-NSHDSACASA-N -1 1 395.387 0.947 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2CC(N)=O)cc1-c1nn[n-]n1 ZINC000826229492 608204679 /nfs/dbraw/zinc/20/46/79/608204679.db2.gz GRBDZYGGECGXSB-MRVPVSSYSA-N -1 1 377.430 0.559 20 0 GCADMM CN1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028734 608206815 /nfs/dbraw/zinc/20/68/15/608206815.db2.gz GZMPKPMGYDRZIL-OCCSQVGLSA-N -1 1 389.370 0.298 20 0 GCADMM CCC(=O)N1CCCC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825034353 608211075 /nfs/dbraw/zinc/21/10/75/608211075.db2.gz IHEDRFXFDZGHRF-LBPRGKRZSA-N -1 1 389.464 0.354 20 0 GCADMM CCC(=O)N1CCCC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825034353 608211076 /nfs/dbraw/zinc/21/10/76/608211076.db2.gz IHEDRFXFDZGHRF-LBPRGKRZSA-N -1 1 389.464 0.354 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCOC[C@H]1CCCO1 ZINC000825923613 608211615 /nfs/dbraw/zinc/21/16/15/608211615.db2.gz OSZHOABHERKUKU-LLVKDONJSA-N -1 1 378.437 0.149 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCOC[C@H]1CCCO1 ZINC000825923613 608211617 /nfs/dbraw/zinc/21/16/17/608211617.db2.gz OSZHOABHERKUKU-LLVKDONJSA-N -1 1 378.437 0.149 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COCCc1ccccc1 ZINC000825929568 608212485 /nfs/dbraw/zinc/21/24/85/608212485.db2.gz IMFXYZWCIVTPHC-UHFFFAOYSA-N -1 1 384.444 0.822 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COCCc1ccccc1 ZINC000825929568 608212487 /nfs/dbraw/zinc/21/24/87/608212487.db2.gz IMFXYZWCIVTPHC-UHFFFAOYSA-N -1 1 384.444 0.822 20 0 GCADMM CCc1nn(CC(=O)N2CCOC[C@@H]2C2CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763111 608230489 /nfs/dbraw/zinc/23/04/89/608230489.db2.gz OIRXIWREIBFHNH-CQSZACIVSA-N -1 1 387.444 0.186 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)c2ccc(Cl)cc2)n(C)c1=O ZINC000826355719 608239800 /nfs/dbraw/zinc/23/98/00/608239800.db2.gz KUCWLZLWJRFOCS-JTQLQIEISA-N -1 1 377.792 0.063 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826340714 608250083 /nfs/dbraw/zinc/25/00/83/608250083.db2.gz IBLFIKHOVADCAF-NSHDSACASA-N -1 1 399.411 0.224 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826340714 608250084 /nfs/dbraw/zinc/25/00/84/608250084.db2.gz IBLFIKHOVADCAF-NSHDSACASA-N -1 1 399.411 0.224 20 0 GCADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1O ZINC000826286387 608280387 /nfs/dbraw/zinc/28/03/87/608280387.db2.gz AEUSWPGAOCMEJU-CYBMUJFWSA-N -1 1 394.439 0.951 20 0 GCADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1O ZINC000826286387 608280388 /nfs/dbraw/zinc/28/03/88/608280388.db2.gz AEUSWPGAOCMEJU-CYBMUJFWSA-N -1 1 394.439 0.951 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN([C@H]2CCOC2)CC1 ZINC000826495561 608303728 /nfs/dbraw/zinc/30/37/28/608303728.db2.gz UCDZYBZLLBNTCX-LBPRGKRZSA-N -1 1 382.421 0.101 20 0 GCADMM O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490780 608304917 /nfs/dbraw/zinc/30/49/17/608304917.db2.gz HJJUXEBNWINKEO-SNVBAGLBSA-N -1 1 383.405 0.970 20 0 GCADMM O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490780 608304920 /nfs/dbraw/zinc/30/49/20/608304920.db2.gz HJJUXEBNWINKEO-SNVBAGLBSA-N -1 1 383.405 0.970 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(NCc3ccc(-c4nnn[n-]4)o3)cn2)C[C@H](C)O1 ZINC000824967477 608307695 /nfs/dbraw/zinc/30/76/95/608307695.db2.gz KNEMUQAWZKGLSV-TXEJJXNPSA-N -1 1 386.416 0.904 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(NCc3ccc(-c4nn[n-]n4)o3)cn2)C[C@H](C)O1 ZINC000824967477 608307697 /nfs/dbraw/zinc/30/76/97/608307697.db2.gz KNEMUQAWZKGLSV-TXEJJXNPSA-N -1 1 386.416 0.904 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCn3c(CO)nnc3C2)c1-c1nn[n-]n1 ZINC000826331881 608316281 /nfs/dbraw/zinc/31/62/81/608316281.db2.gz BNQZLYCTTSOSKE-UHFFFAOYSA-N -1 1 392.427 0.460 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCSC[C@@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826332468 608321892 /nfs/dbraw/zinc/32/18/92/608321892.db2.gz VKLIBVRTEMLKDH-CQSZACIVSA-N -1 1 384.469 0.764 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000824469942 608339987 /nfs/dbraw/zinc/33/99/87/608339987.db2.gz DMKPZWAISBZHTF-MWLCHTKSSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000824469942 608339988 /nfs/dbraw/zinc/33/99/88/608339988.db2.gz DMKPZWAISBZHTF-MWLCHTKSSA-N -1 1 376.421 0.440 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2cccnc2)n1 ZINC000824148183 608340524 /nfs/dbraw/zinc/34/05/24/608340524.db2.gz OJKYWDMYLLKOPO-UHFFFAOYSA-N -1 1 383.416 0.511 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2cccnc2)n1 ZINC000824148183 608340526 /nfs/dbraw/zinc/34/05/26/608340526.db2.gz OJKYWDMYLLKOPO-UHFFFAOYSA-N -1 1 383.416 0.511 20 0 GCADMM COc1ncccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826222309 608340980 /nfs/dbraw/zinc/34/09/80/608340980.db2.gz RLQBZHARDQKJRR-UHFFFAOYSA-N -1 1 399.415 0.477 20 0 GCADMM COc1ncccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826222309 608340981 /nfs/dbraw/zinc/34/09/81/608340981.db2.gz RLQBZHARDQKJRR-UHFFFAOYSA-N -1 1 399.415 0.477 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826494668 608343027 /nfs/dbraw/zinc/34/30/27/608343027.db2.gz KZZGEWFSSVDAAW-UHFFFAOYSA-N -1 1 378.336 0.340 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826494668 608343029 /nfs/dbraw/zinc/34/30/29/608343029.db2.gz KZZGEWFSSVDAAW-UHFFFAOYSA-N -1 1 378.336 0.340 20 0 GCADMM CN(C[C@@H]1CCCCO1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825908881 608350401 /nfs/dbraw/zinc/35/04/01/608350401.db2.gz NUOKKMAHMVUIDN-NSHDSACASA-N -1 1 390.448 0.784 20 0 GCADMM CN(C[C@@H]1CCCCO1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825908881 608350402 /nfs/dbraw/zinc/35/04/02/608350402.db2.gz NUOKKMAHMVUIDN-NSHDSACASA-N -1 1 390.448 0.784 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCS1 ZINC000824967270 608351741 /nfs/dbraw/zinc/35/17/41/608351741.db2.gz IYQZKVWQEJBHER-SECBINFHSA-N -1 1 378.462 0.721 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCS1 ZINC000824967270 608351743 /nfs/dbraw/zinc/35/17/43/608351743.db2.gz IYQZKVWQEJBHER-SECBINFHSA-N -1 1 378.462 0.721 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2ccccc2O)n1 ZINC000824148262 608352650 /nfs/dbraw/zinc/35/26/50/608352650.db2.gz QHTZWMPLTRWYLI-UHFFFAOYSA-N -1 1 398.427 0.821 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2ccccc2O)n1 ZINC000824148262 608352652 /nfs/dbraw/zinc/35/26/52/608352652.db2.gz QHTZWMPLTRWYLI-UHFFFAOYSA-N -1 1 398.427 0.821 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC(CCO)CC2)n1 ZINC000824141475 608352833 /nfs/dbraw/zinc/35/28/33/608352833.db2.gz HUNWRVHJCUKMKH-UHFFFAOYSA-N -1 1 390.448 0.378 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC(CCO)CC2)n1 ZINC000824141475 608352834 /nfs/dbraw/zinc/35/28/34/608352834.db2.gz HUNWRVHJCUKMKH-UHFFFAOYSA-N -1 1 390.448 0.378 20 0 GCADMM CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825061453 608353603 /nfs/dbraw/zinc/35/36/03/608353603.db2.gz XOOZKEFSMFIEOW-MWLCHTKSSA-N -1 1 378.437 0.280 20 0 GCADMM CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825061453 608353605 /nfs/dbraw/zinc/35/36/05/608353605.db2.gz XOOZKEFSMFIEOW-MWLCHTKSSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCSC2)n1 ZINC000824148517 608354155 /nfs/dbraw/zinc/35/41/55/608354155.db2.gz YECBEXFYWAMUKK-VIFPVBQESA-N -1 1 378.462 0.769 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCSC2)n1 ZINC000824148517 608354157 /nfs/dbraw/zinc/35/41/57/608354157.db2.gz YECBEXFYWAMUKK-VIFPVBQESA-N -1 1 378.462 0.769 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCCS2)n1 ZINC000824148408 608355175 /nfs/dbraw/zinc/35/51/75/608355175.db2.gz TYTMRAOCLKVPKH-SECBINFHSA-N -1 1 378.462 0.769 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCCS2)n1 ZINC000824148408 608355176 /nfs/dbraw/zinc/35/51/76/608355176.db2.gz TYTMRAOCLKVPKH-SECBINFHSA-N -1 1 378.462 0.769 20 0 GCADMM CN(Cc1nccs1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825999177 608355552 /nfs/dbraw/zinc/35/55/52/608355552.db2.gz PICNJZGWRXDHKB-UHFFFAOYSA-N -1 1 389.445 0.872 20 0 GCADMM CN(Cc1nccs1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825999177 608355555 /nfs/dbraw/zinc/35/55/55/608355555.db2.gz PICNJZGWRXDHKB-UHFFFAOYSA-N -1 1 389.445 0.872 20 0 GCADMM COC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)C ZINC000826149544 608355571 /nfs/dbraw/zinc/35/55/71/608355571.db2.gz JWZWXCSFIPBEPE-NSHDSACASA-N -1 1 378.437 0.544 20 0 GCADMM COC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)C ZINC000826149544 608355572 /nfs/dbraw/zinc/35/55/72/608355572.db2.gz JWZWXCSFIPBEPE-NSHDSACASA-N -1 1 378.437 0.544 20 0 GCADMM CCC1(O)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000825176430 608356700 /nfs/dbraw/zinc/35/67/00/608356700.db2.gz SUCSAAXRMMSPQI-UHFFFAOYSA-N -1 1 390.448 0.520 20 0 GCADMM CCC1(O)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000825176430 608356702 /nfs/dbraw/zinc/35/67/02/608356702.db2.gz SUCSAAXRMMSPQI-UHFFFAOYSA-N -1 1 390.448 0.520 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824885067 608357999 /nfs/dbraw/zinc/35/79/99/608357999.db2.gz RBAUTSYDLDGYTQ-JGPRNRPPSA-N -1 1 390.448 0.829 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824885067 608358000 /nfs/dbraw/zinc/35/80/00/608358000.db2.gz RBAUTSYDLDGYTQ-JGPRNRPPSA-N -1 1 390.448 0.829 20 0 GCADMM COc1cc(OC)cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826181179 608395436 /nfs/dbraw/zinc/39/54/36/608395436.db2.gz OGNWZWCMZCSNQH-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1cc(OC)cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826181179 608395438 /nfs/dbraw/zinc/39/54/38/608395438.db2.gz OGNWZWCMZCSNQH-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM O=C(COc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1)NC1CC1 ZINC000826418249 608402769 /nfs/dbraw/zinc/40/27/69/608402769.db2.gz XNLKJERASHCHLD-UHFFFAOYSA-N -1 1 380.412 0.969 20 0 GCADMM O=C(COc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1)NC1CC1 ZINC000826418249 608402770 /nfs/dbraw/zinc/40/27/70/608402770.db2.gz XNLKJERASHCHLD-UHFFFAOYSA-N -1 1 380.412 0.969 20 0 GCADMM CCOC(=O)c1ccc(N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC000825560321 608406819 /nfs/dbraw/zinc/40/68/19/608406819.db2.gz PQYCWMGIUATEIG-UHFFFAOYSA-N -1 1 395.427 0.945 20 0 GCADMM CCOC(=O)c1ccc(N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC000825560321 608406821 /nfs/dbraw/zinc/40/68/21/608406821.db2.gz PQYCWMGIUATEIG-UHFFFAOYSA-N -1 1 395.427 0.945 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1nnc(C2CC2)s1 ZINC000825929808 608408295 /nfs/dbraw/zinc/40/82/95/608408295.db2.gz KBVCUIQVHYBXGQ-UHFFFAOYSA-N -1 1 389.449 0.997 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1nnc(C2CC2)s1 ZINC000825929808 608408296 /nfs/dbraw/zinc/40/82/96/608408296.db2.gz KBVCUIQVHYBXGQ-UHFFFAOYSA-N -1 1 389.449 0.997 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000825929443 608408416 /nfs/dbraw/zinc/40/84/16/608408416.db2.gz FWVSAJKQDPUXQO-UHFFFAOYSA-N -1 1 385.388 0.997 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000825929443 608408418 /nfs/dbraw/zinc/40/84/18/608408418.db2.gz FWVSAJKQDPUXQO-UHFFFAOYSA-N -1 1 385.388 0.997 20 0 GCADMM O=C(CCNc1ccc(-c2nnn[n-]2)nn1)N1CCN(c2ccccc2)CC1 ZINC000826407790 608408782 /nfs/dbraw/zinc/40/87/82/608408782.db2.gz BBTNHHWYNUMGGN-UHFFFAOYSA-N -1 1 379.428 0.808 20 0 GCADMM O=C(CCNc1ccc(-c2nn[n-]n2)nn1)N1CCN(c2ccccc2)CC1 ZINC000826407790 608408783 /nfs/dbraw/zinc/40/87/83/608408783.db2.gz BBTNHHWYNUMGGN-UHFFFAOYSA-N -1 1 379.428 0.808 20 0 GCADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826334121 608425585 /nfs/dbraw/zinc/42/55/85/608425585.db2.gz IQPXCOQRWZDFJJ-JTQLQIEISA-N -1 1 375.418 0.573 20 0 GCADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826334121 608425586 /nfs/dbraw/zinc/42/55/86/608425586.db2.gz IQPXCOQRWZDFJJ-JTQLQIEISA-N -1 1 375.418 0.573 20 0 GCADMM COc1cc(OC)cc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2=O)c1 ZINC000826181332 608427674 /nfs/dbraw/zinc/42/76/74/608427674.db2.gz VBSGADNAIGCXQH-AWEZNQCLSA-N -1 1 382.384 0.891 20 0 GCADMM COc1cc(OC)cc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2=O)c1 ZINC000826181332 608427677 /nfs/dbraw/zinc/42/76/77/608427677.db2.gz VBSGADNAIGCXQH-AWEZNQCLSA-N -1 1 382.384 0.891 20 0 GCADMM O=C(c1ccc2[nH]cnc2c1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826473671 608436352 /nfs/dbraw/zinc/43/63/52/608436352.db2.gz INRSQEQRCYTNII-UHFFFAOYSA-N -1 1 376.384 0.495 20 0 GCADMM COc1ccc2c(c1)OC[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000826213356 608446333 /nfs/dbraw/zinc/44/63/33/608446333.db2.gz USTMFYYDOLHCMI-LLVKDONJSA-N -1 1 388.409 0.552 20 0 GCADMM COc1ccc2c(c1)OC[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000826213356 608446336 /nfs/dbraw/zinc/44/63/36/608446336.db2.gz USTMFYYDOLHCMI-LLVKDONJSA-N -1 1 388.409 0.552 20 0 GCADMM NC(=O)CCC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826390527 608448026 /nfs/dbraw/zinc/44/80/26/608448026.db2.gz CRBYXGMVVUYDPF-UHFFFAOYSA-N -1 1 382.421 0.672 20 0 GCADMM NC(=O)CCC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826390730 608448517 /nfs/dbraw/zinc/44/85/17/608448517.db2.gz KDNHCKIDSGMXKZ-UHFFFAOYSA-N -1 1 382.421 0.672 20 0 GCADMM NC(=O)CCC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826390730 608448519 /nfs/dbraw/zinc/44/85/19/608448519.db2.gz KDNHCKIDSGMXKZ-UHFFFAOYSA-N -1 1 382.421 0.672 20 0 GCADMM CCc1ccnc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000825728762 608468914 /nfs/dbraw/zinc/46/89/14/608468914.db2.gz YRWVKZZFIFIDOR-LBPRGKRZSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1ccnc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000825728762 608468915 /nfs/dbraw/zinc/46/89/15/608468915.db2.gz YRWVKZZFIFIDOR-LBPRGKRZSA-N -1 1 379.428 0.965 20 0 GCADMM CC[C@@]1(C)CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1=O ZINC000825164848 608485129 /nfs/dbraw/zinc/48/51/29/608485129.db2.gz KSVAEAQCKZYOFN-SGTLLEGYSA-N -1 1 399.459 0.300 20 0 GCADMM CC[C@@]1(C)CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1=O ZINC000825164848 608485130 /nfs/dbraw/zinc/48/51/30/608485130.db2.gz KSVAEAQCKZYOFN-SGTLLEGYSA-N -1 1 399.459 0.300 20 0 GCADMM CN(Cc1ccc(-c2nnn[n-]2)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000825961581 608498128 /nfs/dbraw/zinc/49/81/28/608498128.db2.gz JKNWMHJSVKGNIL-UHFFFAOYSA-N -1 1 394.395 0.989 20 0 GCADMM CN(Cc1ccc(-c2nn[n-]n2)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000825961581 608498129 /nfs/dbraw/zinc/49/81/29/608498129.db2.gz JKNWMHJSVKGNIL-UHFFFAOYSA-N -1 1 394.395 0.989 20 0 GCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000826279962 608544141 /nfs/dbraw/zinc/54/41/41/608544141.db2.gz JGLYIAVAKQHBPR-UHFFFAOYSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCc1cnccn1 ZINC000826328460 608547813 /nfs/dbraw/zinc/54/78/13/608547813.db2.gz RRIFIVFBSGQEIV-UHFFFAOYSA-N -1 1 392.427 0.608 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCc1cnccn1 ZINC000826328460 608547814 /nfs/dbraw/zinc/54/78/14/608547814.db2.gz RRIFIVFBSGQEIV-UHFFFAOYSA-N -1 1 392.427 0.608 20 0 GCADMM Cn1nncc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826367322 608548145 /nfs/dbraw/zinc/54/81/45/608548145.db2.gz URFFKJNHWLKNCP-UHFFFAOYSA-N -1 1 382.388 0.565 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@](C)(O)Cc1ccccc1 ZINC000825923507 608555190 /nfs/dbraw/zinc/55/51/90/608555190.db2.gz KTIVNOQEXBWVMV-GOSISDBHSA-N -1 1 384.444 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@](C)(O)Cc1ccccc1 ZINC000825923507 608555191 /nfs/dbraw/zinc/55/51/91/608555191.db2.gz KTIVNOQEXBWVMV-GOSISDBHSA-N -1 1 384.444 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc2c1oc(=O)n2C ZINC000825933818 608555225 /nfs/dbraw/zinc/55/52/25/608555225.db2.gz GOOGEIVXVPHADG-UHFFFAOYSA-N -1 1 397.399 0.322 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc2c1oc(=O)n2C ZINC000825933818 608555226 /nfs/dbraw/zinc/55/52/26/608555226.db2.gz GOOGEIVXVPHADG-UHFFFAOYSA-N -1 1 397.399 0.322 20 0 GCADMM CCOC(=O)N[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(C)C ZINC000825523150 608556357 /nfs/dbraw/zinc/55/63/57/608556357.db2.gz NHJNEHDLKILVHR-LBPRGKRZSA-N -1 1 393.452 0.334 20 0 GCADMM CCOC(=O)N[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000825523150 608556358 /nfs/dbraw/zinc/55/63/58/608556358.db2.gz NHJNEHDLKILVHR-LBPRGKRZSA-N -1 1 393.452 0.334 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000825923841 608556964 /nfs/dbraw/zinc/55/69/64/608556964.db2.gz YNWRHKGDPSVLIA-CYBMUJFWSA-N -1 1 388.407 0.826 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000825923841 608556965 /nfs/dbraw/zinc/55/69/65/608556965.db2.gz YNWRHKGDPSVLIA-CYBMUJFWSA-N -1 1 388.407 0.826 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COc1cccc(C=O)c1 ZINC000825930061 608557760 /nfs/dbraw/zinc/55/77/60/608557760.db2.gz OXLXZMAMQFATIX-UHFFFAOYSA-N -1 1 384.400 0.455 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COc1cccc(C=O)c1 ZINC000825930061 608557762 /nfs/dbraw/zinc/55/77/62/608557762.db2.gz OXLXZMAMQFATIX-UHFFFAOYSA-N -1 1 384.400 0.455 20 0 GCADMM CCOC(=O)NCCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825523570 608559336 /nfs/dbraw/zinc/55/93/36/608559336.db2.gz QSUYXJQIWGGTBI-UHFFFAOYSA-N -1 1 379.425 0.089 20 0 GCADMM CCOC(=O)NCCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825523570 608559337 /nfs/dbraw/zinc/55/93/37/608559337.db2.gz QSUYXJQIWGGTBI-UHFFFAOYSA-N -1 1 379.425 0.089 20 0 GCADMM COC(=O)[C@H]1CCC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826134373 608560585 /nfs/dbraw/zinc/56/05/85/608560585.db2.gz WPWFYGNZGFWDJG-MNOVXSKESA-N -1 1 390.448 0.542 20 0 GCADMM COC(=O)[C@H]1CCC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826134373 608560587 /nfs/dbraw/zinc/56/05/87/608560587.db2.gz WPWFYGNZGFWDJG-MNOVXSKESA-N -1 1 390.448 0.542 20 0 GCADMM COCc1cnc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000826165435 608590529 /nfs/dbraw/zinc/59/05/29/608590529.db2.gz UPWUXORPDDYAHF-LLVKDONJSA-N -1 1 387.473 0.970 20 0 GCADMM COCc1cnc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000826165435 608590532 /nfs/dbraw/zinc/59/05/32/608590532.db2.gz UPWUXORPDDYAHF-LLVKDONJSA-N -1 1 387.473 0.970 20 0 GCADMM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cc2[nH]c(O)nc2O)cc1 ZINC000826422100 608823033 /nfs/dbraw/zinc/82/30/33/608823033.db2.gz MIOAHYRMHIJMOW-HNNXBMFYSA-N -1 1 391.391 0.798 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc2cnccn12 ZINC000824999797 608834037 /nfs/dbraw/zinc/83/40/37/608834037.db2.gz JVNMPSSVITVDAE-LBPRGKRZSA-N -1 1 377.416 0.410 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc2cnccn12 ZINC000824999797 608834038 /nfs/dbraw/zinc/83/40/38/608834038.db2.gz JVNMPSSVITVDAE-LBPRGKRZSA-N -1 1 377.416 0.410 20 0 GCADMM COC(=O)C1=C(Cn2ccnc2-c2nnn[n-]2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000826128638 608889389 /nfs/dbraw/zinc/88/93/89/608889389.db2.gz FQJMTSVAKWJMNN-AWEZNQCLSA-N -1 1 394.395 0.887 20 0 GCADMM COC(=O)C1=C(Cn2ccnc2-c2nn[n-]n2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000826128638 608889393 /nfs/dbraw/zinc/88/93/93/608889393.db2.gz FQJMTSVAKWJMNN-AWEZNQCLSA-N -1 1 394.395 0.887 20 0 GCADMM C[C@@H]1CCc2c(sc(NC(=O)Cn3ccnc3-c3nnn[n-]3)c2C(N)=O)C1 ZINC000824970959 608891582 /nfs/dbraw/zinc/89/15/82/608891582.db2.gz ZMBDBLHARVWSAE-MRVPVSSYSA-N -1 1 386.441 0.987 20 0 GCADMM C[C@@H]1CCc2c(sc(NC(=O)Cn3ccnc3-c3nn[n-]n3)c2C(N)=O)C1 ZINC000824970959 608891585 /nfs/dbraw/zinc/89/15/85/608891585.db2.gz ZMBDBLHARVWSAE-MRVPVSSYSA-N -1 1 386.441 0.987 20 0 GCADMM C[C@H]1CCc2c(sc(NC(=O)Cn3ccnc3-c3nnn[n-]3)c2C(N)=O)C1 ZINC000824970962 608891812 /nfs/dbraw/zinc/89/18/12/608891812.db2.gz ZMBDBLHARVWSAE-QMMMGPOBSA-N -1 1 386.441 0.987 20 0 GCADMM C[C@H]1CCc2c(sc(NC(=O)Cn3ccnc3-c3nn[n-]n3)c2C(N)=O)C1 ZINC000824970962 608891813 /nfs/dbraw/zinc/89/18/13/608891813.db2.gz ZMBDBLHARVWSAE-QMMMGPOBSA-N -1 1 386.441 0.987 20 0 GCADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826104231 608892909 /nfs/dbraw/zinc/89/29/09/608892909.db2.gz SELSMVYTGIYMKE-CQSZACIVSA-N -1 1 394.395 0.445 20 0 GCADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826104231 608892911 /nfs/dbraw/zinc/89/29/11/608892911.db2.gz SELSMVYTGIYMKE-CQSZACIVSA-N -1 1 394.395 0.445 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000826425276 608893545 /nfs/dbraw/zinc/89/35/45/608893545.db2.gz WQUIMNAXMAKUTG-CYBMUJFWSA-N -1 1 393.473 0.412 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000826425276 608893546 /nfs/dbraw/zinc/89/35/46/608893546.db2.gz WQUIMNAXMAKUTG-CYBMUJFWSA-N -1 1 393.473 0.412 20 0 GCADMM Cn1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)c1=O ZINC000826365549 608894916 /nfs/dbraw/zinc/89/49/16/608894916.db2.gz SHKVJNVKQQANOO-UHFFFAOYSA-N -1 1 398.408 0.552 20 0 GCADMM Cn1cc(-c2nc([C@H]3COCCN3Cc3ccnc(-c4nnn[n-]4)c3)no2)cn1 ZINC000826356472 609152048 /nfs/dbraw/zinc/15/20/48/609152048.db2.gz SEPOHBQBLRMJOO-CQSZACIVSA-N -1 1 394.399 0.619 20 0 GCADMM Cn1cc(-c2nc([C@H]3COCCN3Cc3ccnc(-c4nn[n-]n4)c3)no2)cn1 ZINC000826356472 609152049 /nfs/dbraw/zinc/15/20/49/609152049.db2.gz SEPOHBQBLRMJOO-CQSZACIVSA-N -1 1 394.399 0.619 20 0 GCADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(=O)n(C)c1 ZINC000826269968 609160320 /nfs/dbraw/zinc/16/03/20/609160320.db2.gz FGKCGSLLTOBEBB-UHFFFAOYSA-N -1 1 386.420 0.276 20 0 GCADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(=O)n(C)c1 ZINC000826269968 609160322 /nfs/dbraw/zinc/16/03/22/609160322.db2.gz FGKCGSLLTOBEBB-UHFFFAOYSA-N -1 1 386.420 0.276 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cnn(C(F)F)c1 ZINC000825930766 609162745 /nfs/dbraw/zinc/16/27/45/609162745.db2.gz YKXLNIQUOYPLPD-UHFFFAOYSA-N -1 1 381.351 0.860 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cnn(C(F)F)c1 ZINC000825930766 609162746 /nfs/dbraw/zinc/16/27/46/609162746.db2.gz YKXLNIQUOYPLPD-UHFFFAOYSA-N -1 1 381.351 0.860 20 0 GCADMM Cn1cc(-c2nc([C@H]3COCCN3Cc3ccc(-c4nnn[n-]4)o3)no2)cn1 ZINC000826356316 609176300 /nfs/dbraw/zinc/17/63/00/609176300.db2.gz LCRIXCUHVXCJJM-GFCCVEGCSA-N -1 1 383.372 0.817 20 0 GCADMM Cn1cc(-c2nc([C@H]3COCCN3Cc3ccc(-c4nn[n-]n4)o3)no2)cn1 ZINC000826356316 609176301 /nfs/dbraw/zinc/17/63/01/609176301.db2.gz LCRIXCUHVXCJJM-GFCCVEGCSA-N -1 1 383.372 0.817 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)Cc1ncon1 ZINC000826327762 609285338 /nfs/dbraw/zinc/28/53/38/609285338.db2.gz UDYMZPQZHIBLLV-UHFFFAOYSA-N -1 1 382.388 0.500 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)Cc1ncon1 ZINC000826327762 609285341 /nfs/dbraw/zinc/28/53/41/609285341.db2.gz UDYMZPQZHIBLLV-UHFFFAOYSA-N -1 1 382.388 0.500 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nn1ccccc1=O ZINC000826328416 609285432 /nfs/dbraw/zinc/28/54/32/609285432.db2.gz QNOCVPXJKMJZBD-UHFFFAOYSA-N -1 1 379.384 0.391 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nn1ccccc1=O ZINC000826328416 609285433 /nfs/dbraw/zinc/28/54/33/609285433.db2.gz QNOCVPXJKMJZBD-UHFFFAOYSA-N -1 1 379.384 0.391 20 0 GCADMM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)S(C)(=O)=O ZINC000824045255 609288385 /nfs/dbraw/zinc/28/83/85/609288385.db2.gz KABUZRGAAODTBL-QMMMGPOBSA-N -1 1 379.377 0.563 20 0 GCADMM O=C(CCN1CCOC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826407359 609291414 /nfs/dbraw/zinc/29/14/14/609291414.db2.gz KIXDLPLHCSIELQ-UHFFFAOYSA-N -1 1 386.347 0.972 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1cn2ccccc2n1 ZINC000825929138 609298792 /nfs/dbraw/zinc/29/87/92/609298792.db2.gz BFJDBCHEUFRZNQ-UHFFFAOYSA-N -1 1 395.431 0.594 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cn2ccccc2n1 ZINC000825929138 609298794 /nfs/dbraw/zinc/29/87/94/609298794.db2.gz BFJDBCHEUFRZNQ-UHFFFAOYSA-N -1 1 395.431 0.594 20 0 GCADMM COc1ncccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826222111 609299619 /nfs/dbraw/zinc/29/96/19/609299619.db2.gz ISNWJFOPVLYNAP-UHFFFAOYSA-N -1 1 386.420 0.350 20 0 GCADMM COc1ncccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826222111 609299621 /nfs/dbraw/zinc/29/96/21/609299621.db2.gz ISNWJFOPVLYNAP-UHFFFAOYSA-N -1 1 386.420 0.350 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000825930686 609300987 /nfs/dbraw/zinc/30/09/87/609300987.db2.gz WMDIBTIBFARZRA-LBPRGKRZSA-N -1 1 397.443 0.750 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000825930686 609300989 /nfs/dbraw/zinc/30/09/89/609300989.db2.gz WMDIBTIBFARZRA-LBPRGKRZSA-N -1 1 397.443 0.750 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCOC1CCCC1 ZINC000825930794 609301157 /nfs/dbraw/zinc/30/11/57/609301157.db2.gz ZVEAWJFHUXHQPT-UHFFFAOYSA-N -1 1 377.453 0.705 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCOC1CCCC1 ZINC000825930794 609301159 /nfs/dbraw/zinc/30/11/59/609301159.db2.gz ZVEAWJFHUXHQPT-UHFFFAOYSA-N -1 1 377.453 0.705 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000825492786 609301844 /nfs/dbraw/zinc/30/18/44/609301844.db2.gz HNXSMPXKCFRWGB-HZMBPMFUSA-N -1 1 378.389 0.180 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000825492786 609301846 /nfs/dbraw/zinc/30/18/46/609301846.db2.gz HNXSMPXKCFRWGB-HZMBPMFUSA-N -1 1 378.389 0.180 20 0 GCADMM CCc1nc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000825745423 609302222 /nfs/dbraw/zinc/30/22/22/609302222.db2.gz LXFDQUSVKHMBEX-UHFFFAOYSA-N -1 1 390.477 0.965 20 0 GCADMM CCc1nc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000825745423 609302224 /nfs/dbraw/zinc/30/22/24/609302224.db2.gz LXFDQUSVKHMBEX-UHFFFAOYSA-N -1 1 390.477 0.965 20 0 GCADMM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824224700 609303483 /nfs/dbraw/zinc/30/34/83/609303483.db2.gz QBERISSRHOCQMP-RISCZKNCSA-N -1 1 391.480 0.807 20 0 GCADMM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824224700 609303484 /nfs/dbraw/zinc/30/34/84/609303484.db2.gz QBERISSRHOCQMP-RISCZKNCSA-N -1 1 391.480 0.807 20 0 GCADMM C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccncc1 ZINC000824420404 609303503 /nfs/dbraw/zinc/30/35/03/609303503.db2.gz JKFCNPAXAUOESL-LLVKDONJSA-N -1 1 384.448 0.945 20 0 GCADMM C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccncc1 ZINC000824420404 609303505 /nfs/dbraw/zinc/30/35/05/609303505.db2.gz JKFCNPAXAUOESL-LLVKDONJSA-N -1 1 384.448 0.945 20 0 GCADMM CCC1(O)CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000825176334 609309208 /nfs/dbraw/zinc/30/92/08/609309208.db2.gz POJFUZODODGMOQ-UHFFFAOYSA-N -1 1 391.480 0.830 20 0 GCADMM CCC1(O)CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000825176334 609309211 /nfs/dbraw/zinc/30/92/11/609309211.db2.gz POJFUZODODGMOQ-UHFFFAOYSA-N -1 1 391.480 0.830 20 0 GCADMM CN(C)c1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000825929145 609309795 /nfs/dbraw/zinc/30/97/95/609309795.db2.gz BNKKDWFRIZXJKM-UHFFFAOYSA-N -1 1 399.463 0.407 20 0 GCADMM CN(C)c1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000825929145 609309797 /nfs/dbraw/zinc/30/97/97/609309797.db2.gz BNKKDWFRIZXJKM-UHFFFAOYSA-N -1 1 399.463 0.407 20 0 GCADMM CCOCCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000825590490 609309873 /nfs/dbraw/zinc/30/98/73/609309873.db2.gz WBDHRKIAQKRPSK-UHFFFAOYSA-N -1 1 391.480 0.953 20 0 GCADMM CCOCCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000825590490 609309875 /nfs/dbraw/zinc/30/98/75/609309875.db2.gz WBDHRKIAQKRPSK-UHFFFAOYSA-N -1 1 391.480 0.953 20 0 GCADMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1(C)C ZINC000826144881 609310041 /nfs/dbraw/zinc/31/00/41/609310041.db2.gz UUKDFUUOWVYJDT-ZWKOPEQDSA-N -1 1 391.480 0.806 20 0 GCADMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1(C)C ZINC000826144881 609310043 /nfs/dbraw/zinc/31/00/43/609310043.db2.gz UUKDFUUOWVYJDT-ZWKOPEQDSA-N -1 1 391.480 0.806 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000825930149 609310066 /nfs/dbraw/zinc/31/00/66/609310066.db2.gz QJRUABOGTRRPIN-JTQLQIEISA-N -1 1 385.436 0.027 20 0 GCADMM Cc1cc(C[C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[nH]n1 ZINC000826266420 609310406 /nfs/dbraw/zinc/31/04/06/609310406.db2.gz OEZFKOXEXUMUOJ-SECBINFHSA-N -1 1 387.452 0.409 20 0 GCADMM CC(C)S(=O)(=O)c1ccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000824338069 609321063 /nfs/dbraw/zinc/32/10/63/609321063.db2.gz OMTCWNMRVSNHJG-UHFFFAOYSA-N -1 1 375.414 0.710 20 0 GCADMM COCC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(C)o1 ZINC000826155517 609322555 /nfs/dbraw/zinc/32/25/55/609322555.db2.gz SIRDSBJWODROLQ-JTQLQIEISA-N -1 1 375.389 0.355 20 0 GCADMM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826128318 609328893 /nfs/dbraw/zinc/32/88/93/609328893.db2.gz CGKHGFIJFZLHJU-TVQRCGJNSA-N -1 1 399.404 0.347 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(n2ccnn2)CC1 ZINC000826495646 609330067 /nfs/dbraw/zinc/33/00/67/609330067.db2.gz VOBZRHRRBLIBOP-UHFFFAOYSA-N -1 1 378.393 0.623 20 0 GCADMM O=C(NCc1cc[nH]n1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826440569 609354525 /nfs/dbraw/zinc/35/45/25/609354525.db2.gz RRBAHCAQLOPMMJ-UHFFFAOYSA-N -1 1 396.346 0.170 20 0 GCADMM CN1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1=O ZINC000826017155 609358676 /nfs/dbraw/zinc/35/86/76/609358676.db2.gz HPGFECPHWWDPAE-SNVBAGLBSA-N -1 1 399.390 0.934 20 0 GCADMM O=C(NC[C@@]1(O)CCOC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826434243 609361239 /nfs/dbraw/zinc/36/12/39/609361239.db2.gz HQEUCSHAGSPWPB-INIZCTEOSA-N -1 1 388.363 0.464 20 0 GCADMM C[C@H](O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824700290 609365797 /nfs/dbraw/zinc/36/57/97/609365797.db2.gz XUYBDCFURWAHBD-VIFPVBQESA-N -1 1 388.363 0.017 20 0 GCADMM COC[C@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(=O)OC ZINC000826150549 609404315 /nfs/dbraw/zinc/40/43/15/609404315.db2.gz HEKWNPRKFQERFL-NSHDSACASA-N -1 1 392.441 0.779 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826495143 609447685 /nfs/dbraw/zinc/44/76/85/609447685.db2.gz DQGCFUUIKJELKS-NSHDSACASA-N -1 1 392.420 0.698 20 0 GCADMM Cc1onc(CC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347232 609467571 /nfs/dbraw/zinc/46/75/71/609467571.db2.gz JOXNIWWUSYDSRX-CQSZACIVSA-N -1 1 395.423 0.871 20 0 GCADMM Cc1onc(CC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347232 609467573 /nfs/dbraw/zinc/46/75/73/609467573.db2.gz JOXNIWWUSYDSRX-CQSZACIVSA-N -1 1 395.423 0.871 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000826345866 609469352 /nfs/dbraw/zinc/46/93/52/609469352.db2.gz WKINPBUFQZNULN-GFCCVEGCSA-N -1 1 381.396 0.907 20 0 GCADMM 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Cn1nc(C(C)(C)C)cc1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001189043858 1205994430 /nfs/dbraw/zinc/99/44/30/1205994430.db2.gz LETONYBOFQUKIL-LBPRGKRZSA-N -1 1 390.444 0.373 20 0 GCADMM CCOC(=O)N1CCC[C@H]([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001189430492 1206006142 /nfs/dbraw/zinc/00/61/42/1206006142.db2.gz JIMNVFUMUNWCND-MNOVXSKESA-N -1 1 388.446 0.021 20 0 GCADMM Cc1ccc(C2=NO[C@@H](C[N-]S(=O)(=O)c3cn(C)c(=O)[nH]c3=O)C2)cc1C ZINC001189577513 1206011431 /nfs/dbraw/zinc/01/14/31/1206011431.db2.gz BDXNFIKDGUJPCS-CYBMUJFWSA-N -1 1 392.437 0.574 20 0 GCADMM CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2S(=O)(=O)[O-])CC1 ZINC001189703709 1206014056 /nfs/dbraw/zinc/01/40/56/1206014056.db2.gz MTJAJBRHMOKIQW-JOCQHMNTSA-N -1 1 383.470 0.652 20 0 GCADMM CCC[C@H]([N-]S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(N)=O ZINC001190100630 1206025500 /nfs/dbraw/zinc/02/55/00/1206025500.db2.gz ZMZWUIWSBJKFNL-VIFPVBQESA-N -1 1 396.238 0.619 20 0 GCADMM COC(=O)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(OC)n1)c1ccccc1 ZINC001190117156 1206027574 /nfs/dbraw/zinc/02/75/74/1206027574.db2.gz WCVWQZLQXWOJGN-UONOGXRCSA-N -1 1 384.385 0.783 20 0 GCADMM CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2[O-])[C@H](C)C1 ZINC001190128046 1206027607 /nfs/dbraw/zinc/02/76/07/1206027607.db2.gz PAJQSEQAVKCGIZ-LLVKDONJSA-N -1 1 378.472 0.445 20 0 GCADMM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1cnc(-c3ccccc3)[n-]c1=O)C2 ZINC001190262230 1206031925 /nfs/dbraw/zinc/03/19/25/1206031925.db2.gz PNUUEOINDRLNKX-HXUWFJFHSA-N -1 1 395.419 0.412 20 0 GCADMM CC(=O)NCc1nnc2n1CCN(C(=O)c1cnc(-c3ccccc3)[n-]c1=O)C2 ZINC001190261436 1206031984 /nfs/dbraw/zinc/03/19/84/1206031984.db2.gz CPRUMEBNFJKTHU-UHFFFAOYSA-N -1 1 393.407 0.733 20 0 GCADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)N1c2ccccc2C[C@H]1C ZINC001190384990 1206033675 /nfs/dbraw/zinc/03/36/75/1206033675.db2.gz SUOLZJWIXAPQHA-MNOVXSKESA-N -1 1 392.437 0.131 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1ccc(-n2cccc2)nc1 ZINC001190403283 1206033844 /nfs/dbraw/zinc/03/38/44/1206033844.db2.gz RMVKPKBFVSCJLJ-HNNXBMFYSA-N -1 1 396.407 0.527 20 0 GCADMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC001190548111 1206038226 /nfs/dbraw/zinc/03/82/26/1206038226.db2.gz LWALQVZLQDNRMJ-UHFFFAOYSA-N -1 1 397.544 0.779 20 0 GCADMM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001190603456 1206040356 /nfs/dbraw/zinc/04/03/56/1206040356.db2.gz LCNKWEOYQOBOQX-LLVKDONJSA-N -1 1 378.497 0.654 20 0 GCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cncc(N3CCOCC3)n2)c1 ZINC001190768625 1206046055 /nfs/dbraw/zinc/04/60/55/1206046055.db2.gz IYVDJXDSTQKSNU-UHFFFAOYSA-N -1 1 393.425 0.179 20 0 GCADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C(=O)O1 ZINC001190878504 1206050020 /nfs/dbraw/zinc/05/00/20/1206050020.db2.gz SVOLFDCSTIMTON-UTUOFQBUSA-N -1 1 378.447 0.246 20 0 GCADMM C[C@@](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)(C(=O)[O-])C1CC1 ZINC000780554814 939132607 /nfs/dbraw/zinc/13/26/07/939132607.db2.gz UFOAETOWTRRTID-IBGZPJMESA-N -1 1 390.488 0.931 20 0 GCADMM O=C([O-])[C@@]1(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)CCOC1 ZINC000390555233 939135223 /nfs/dbraw/zinc/13/52/23/939135223.db2.gz RCIOYZPLNTXXKB-LJQANCHMSA-N -1 1 376.457 0.347 20 0 GCADMM CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccnc(-c4nnn[n-]4)c3)ccc21 ZINC001571257764 945343031 /nfs/dbraw/zinc/34/30/31/945343031.db2.gz JBETYTSHVDLVGM-UHFFFAOYSA-N -1 1 385.409 0.259 20 0 GCADMM CN1C(=O)Cc2cc(S(=O)(=O)NCc3ccnc(-c4nn[n-]n4)c3)ccc21 ZINC001571257764 945343042 /nfs/dbraw/zinc/34/30/42/945343042.db2.gz JBETYTSHVDLVGM-UHFFFAOYSA-N -1 1 385.409 0.259 20 0 GCADMM CC(C)N1CC[C@@H](N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1=O ZINC000820127493 945357394 /nfs/dbraw/zinc/35/73/94/945357394.db2.gz ITXIMHSDGXAYEG-CYBMUJFWSA-N -1 1 386.460 0.863 20 0 GCADMM CC(C)N1CC[C@H](N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1=O ZINC000820127495 945357427 /nfs/dbraw/zinc/35/74/27/945357427.db2.gz ITXIMHSDGXAYEG-ZDUSSCGKSA-N -1 1 386.460 0.863 20 0 GCADMM O=C([O-])[C@@H]1CN(C(=O)c2cccc(I)c2O)CCO1 ZINC001611396778 971026070 /nfs/dbraw/zinc/02/60/70/971026070.db2.gz MNYOJXJQZHFSDW-VIFPVBQESA-N -1 1 377.134 0.922 20 0 GCADMM CCc1nn(CC(=O)NC(=O)Nc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704951 944872588 /nfs/dbraw/zinc/87/25/88/944872588.db2.gz BACBKINLGAFHGA-UHFFFAOYSA-N -1 1 396.411 0.897 20 0 GCADMM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571259375 945385050 /nfs/dbraw/zinc/38/50/50/945385050.db2.gz GCXSNEWRMGQZLP-RYUDHWBXSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571259375 945385059 /nfs/dbraw/zinc/38/50/59/945385059.db2.gz GCXSNEWRMGQZLP-RYUDHWBXSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571259373 945386945 /nfs/dbraw/zinc/38/69/45/945386945.db2.gz GCXSNEWRMGQZLP-NWDGAFQWSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571259373 945386959 /nfs/dbraw/zinc/38/69/59/945386959.db2.gz GCXSNEWRMGQZLP-NWDGAFQWSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(CN1CCCC1=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571259370 945387373 /nfs/dbraw/zinc/38/73/73/945387373.db2.gz GBQKQZCQBPWOGO-LBPRGKRZSA-N -1 1 385.432 0.072 20 0 GCADMM O=C(CN1CCCC1=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571259370 945387384 /nfs/dbraw/zinc/38/73/84/945387384.db2.gz GBQKQZCQBPWOGO-LBPRGKRZSA-N -1 1 385.432 0.072 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)[C@]2(C)CCC(=O)N2)n1 ZINC001571259470 945388470 /nfs/dbraw/zinc/38/84/70/945388470.db2.gz GPRBMNTYBQZFLX-DIFFPNOSSA-N -1 1 385.432 0.037 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)[C@]2(C)CCC(=O)N2)n1 ZINC001571259470 945388485 /nfs/dbraw/zinc/38/84/85/945388485.db2.gz GPRBMNTYBQZFLX-DIFFPNOSSA-N -1 1 385.432 0.037 20 0 GCADMM CN(C(=O)C[C@@H]1CCCC(=O)N1)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571259615 945394847 /nfs/dbraw/zinc/39/48/47/945394847.db2.gz PGHNCBFWYRWQAM-UNXYVOJBSA-N -1 1 385.432 0.117 20 0 GCADMM CN(C(=O)C[C@@H]1CCCC(=O)N1)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571259615 945394858 /nfs/dbraw/zinc/39/48/58/945394858.db2.gz PGHNCBFWYRWQAM-UNXYVOJBSA-N -1 1 385.432 0.117 20 0 GCADMM O=C([C@H]1CCCC(=O)N1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571259825 945399265 /nfs/dbraw/zinc/39/92/65/945399265.db2.gz KUHAWAOLPDIBOT-WCQYABFASA-N -1 1 385.432 0.118 20 0 GCADMM O=C([C@H]1CCCC(=O)N1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571259825 945399275 /nfs/dbraw/zinc/39/92/75/945399275.db2.gz KUHAWAOLPDIBOT-WCQYABFASA-N -1 1 385.432 0.118 20 0 GCADMM CN(C(=O)[C@@H]1CCCC(=O)N1C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571260177 945409680 /nfs/dbraw/zinc/40/96/80/945409680.db2.gz WYMMSCAGKNSSDT-MCIGGMRASA-N -1 1 385.432 0.069 20 0 GCADMM CN(C(=O)[C@@H]1CCCC(=O)N1C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571260177 945409686 /nfs/dbraw/zinc/40/96/86/945409686.db2.gz WYMMSCAGKNSSDT-MCIGGMRASA-N -1 1 385.432 0.069 20 0 GCADMM O=C(NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(=O)NC1 ZINC001571260327 945411409 /nfs/dbraw/zinc/41/14/09/945411409.db2.gz PIQYYDDBDFIZHA-VOMCLLRMSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(=O)NC1 ZINC001571260327 945411411 /nfs/dbraw/zinc/41/14/11/945411411.db2.gz PIQYYDDBDFIZHA-VOMCLLRMSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCC(=O)N1 ZINC001571260370 945414568 /nfs/dbraw/zinc/41/45/68/945414568.db2.gz QTAGAEKZRUKYBC-IJLUTSLNSA-N -1 1 385.432 0.165 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCC(=O)N1 ZINC001571260370 945414573 /nfs/dbraw/zinc/41/45/73/945414573.db2.gz QTAGAEKZRUKYBC-IJLUTSLNSA-N -1 1 385.432 0.165 20 0 GCADMM CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001571260683 945423534 /nfs/dbraw/zinc/42/35/34/945423534.db2.gz ZFSTUPACNBXSCY-GFCCVEGCSA-N -1 1 385.432 0.496 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)CCc1cscn1 ZINC001571261565 945426568 /nfs/dbraw/zinc/42/65/68/945426568.db2.gz GOMGKDMZGVUSAO-JQWIXIFHSA-N -1 1 385.457 0.569 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccns2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571261483 945427312 /nfs/dbraw/zinc/42/73/12/945427312.db2.gz GJVGFHPFXYLQPV-GHMZBOCLSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC001571261459 945427638 /nfs/dbraw/zinc/42/76/38/945427638.db2.gz FTGCBQNLPGYKON-WDEREUQCSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccsn2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571261613 945429691 /nfs/dbraw/zinc/42/96/91/945429691.db2.gz HLFHURUGDSJTFD-GHMZBOCLSA-N -1 1 385.457 0.745 20 0 GCADMM CCc1nc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cs1 ZINC001571261893 945433315 /nfs/dbraw/zinc/43/33/15/945433315.db2.gz LVJNUTYVLXPIHR-JTQLQIEISA-N -1 1 385.457 0.353 20 0 GCADMM CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571262336 945435255 /nfs/dbraw/zinc/43/52/55/945435255.db2.gz PJEMADUNEUKMSL-SNVBAGLBSA-N -1 1 385.457 0.985 20 0 GCADMM CC(C)c1scnc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571262335 945435835 /nfs/dbraw/zinc/43/58/35/945435835.db2.gz PJEMADUNEUKMSL-JTQLQIEISA-N -1 1 385.457 0.985 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)Cc1cncs1 ZINC001571262324 945435960 /nfs/dbraw/zinc/43/59/60/945435960.db2.gz PCIALOZKMLEJLO-GFCCVEGCSA-N -1 1 385.457 0.687 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)Cc1cncs1 ZINC001571262324 945435964 /nfs/dbraw/zinc/43/59/64/945435964.db2.gz PCIALOZKMLEJLO-GFCCVEGCSA-N -1 1 385.457 0.687 20 0 GCADMM CC(C)[C@@H](CNS(=O)(=O)c1ccsc1C(=O)[O-])N1CCN(C)CC1 ZINC000324673624 971146529 /nfs/dbraw/zinc/14/65/29/971146529.db2.gz LSCLLSZLOMQDPZ-GFCCVEGCSA-N -1 1 375.516 0.997 20 0 GCADMM CCn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(C)c1-c1nn[n-]n1 ZINC001571262610 945441163 /nfs/dbraw/zinc/44/11/63/945441163.db2.gz WLNUSGVQNJMJMF-QWRGUYRKSA-N -1 1 385.457 0.951 20 0 GCADMM Cc1nc(C)c(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571263525 945462190 /nfs/dbraw/zinc/46/21/90/945462190.db2.gz SLENZRNSCFNXKL-NSHDSACASA-N -1 1 385.457 0.668 20 0 GCADMM Cc1nc(C)c(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571263525 945462193 /nfs/dbraw/zinc/46/21/93/945462193.db2.gz SLENZRNSCFNXKL-NSHDSACASA-N -1 1 385.457 0.668 20 0 GCADMM O=C(CCc1cncs1)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263647 945463155 /nfs/dbraw/zinc/46/31/55/945463155.db2.gz VTMYLPNAGWMVKB-NSHDSACASA-N -1 1 385.457 0.428 20 0 GCADMM O=C(CCc1cncs1)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263646 945463184 /nfs/dbraw/zinc/46/31/84/945463184.db2.gz VTMYLPNAGWMVKB-LLVKDONJSA-N -1 1 385.457 0.428 20 0 GCADMM Cc1nc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cs1 ZINC001571263914 945470049 /nfs/dbraw/zinc/47/00/49/945470049.db2.gz ZSEABMKOGGZLEC-LLVKDONJSA-N -1 1 385.457 0.749 20 0 GCADMM Cc1nc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cs1 ZINC001571263914 945470054 /nfs/dbraw/zinc/47/00/54/945470054.db2.gz ZSEABMKOGGZLEC-LLVKDONJSA-N -1 1 385.457 0.749 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1Cl ZINC001571265653 945515544 /nfs/dbraw/zinc/51/55/44/945515544.db2.gz OALBGAGALWWJRX-JTQLQIEISA-N -1 1 385.819 0.961 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1Cl ZINC001571265653 945515551 /nfs/dbraw/zinc/51/55/51/945515551.db2.gz OALBGAGALWWJRX-JTQLQIEISA-N -1 1 385.819 0.961 20 0 GCADMM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001571266383 945538794 /nfs/dbraw/zinc/53/87/94/945538794.db2.gz PNTHKAYADRFDHR-SNVBAGLBSA-N -1 1 385.475 0.151 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC001571266722 945551956 /nfs/dbraw/zinc/55/19/56/945551956.db2.gz XYMWNUZBWHTWNH-DTWKUNHWSA-N -1 1 385.475 0.078 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571266852 945554180 /nfs/dbraw/zinc/55/41/80/945554180.db2.gz AJFCSCARGLJLNG-RNCFNFMXSA-N -1 1 386.366 0.929 20 0 GCADMM C[C@@H](NC(=O)c1n[nH]cc1F)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267734 945576486 /nfs/dbraw/zinc/57/64/86/945576486.db2.gz CYHGHOLXELDSBK-NXEZZACHSA-N -1 1 386.395 0.554 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267684 945577655 /nfs/dbraw/zinc/57/76/55/945577655.db2.gz BRAATAJBGMBJOB-NXEZZACHSA-N -1 1 386.395 0.838 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1n[nH]cc1F ZINC001571267936 945583492 /nfs/dbraw/zinc/58/34/92/945583492.db2.gz JIZBGDBONAXEKL-ONGXEEELSA-N -1 1 386.395 0.920 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1n[nH]cc1F ZINC001571267936 945583503 /nfs/dbraw/zinc/58/35/03/945583503.db2.gz JIZBGDBONAXEKL-ONGXEEELSA-N -1 1 386.395 0.920 20 0 GCADMM CCn1nc(C)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1C ZINC001571268115 945587151 /nfs/dbraw/zinc/58/71/51/945587151.db2.gz AGPLJCITVVCNRJ-UHFFFAOYSA-N -1 1 386.420 0.512 20 0 GCADMM CCn1nc(C)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1C ZINC001571268115 945587161 /nfs/dbraw/zinc/58/71/61/945587161.db2.gz AGPLJCITVVCNRJ-UHFFFAOYSA-N -1 1 386.420 0.512 20 0 GCADMM O=C(c1cnn(CCF)c1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571268247 945592177 /nfs/dbraw/zinc/59/21/77/945592177.db2.gz PLNMERDCYPCPCS-LBPRGKRZSA-N -1 1 386.395 0.539 20 0 GCADMM O=C(c1cnn(CCF)c1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571268247 945592183 /nfs/dbraw/zinc/59/21/83/945592183.db2.gz PLNMERDCYPCPCS-LBPRGKRZSA-N -1 1 386.395 0.539 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571268423 945595774 /nfs/dbraw/zinc/59/57/74/945595774.db2.gz ROIFLJIIHXNKNM-QWRGUYRKSA-N -1 1 386.416 0.259 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571268423 945595782 /nfs/dbraw/zinc/59/57/82/945595782.db2.gz ROIFLJIIHXNKNM-QWRGUYRKSA-N -1 1 386.416 0.259 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571268624 945599801 /nfs/dbraw/zinc/59/98/01/945599801.db2.gz VBHLMUFKJQRQNZ-SNVBAGLBSA-N -1 1 386.395 0.189 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571268624 945599809 /nfs/dbraw/zinc/59/98/09/945599809.db2.gz VBHLMUFKJQRQNZ-SNVBAGLBSA-N -1 1 386.395 0.189 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571268909 945608270 /nfs/dbraw/zinc/60/82/70/945608270.db2.gz ZDGIOJFFSUMPMS-UWVGGRQHSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571268909 945608276 /nfs/dbraw/zinc/60/82/76/945608276.db2.gz ZDGIOJFFSUMPMS-UWVGGRQHSA-N -1 1 386.395 0.729 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)C1=COCCO1 ZINC001571269153 945613308 /nfs/dbraw/zinc/61/33/08/945613308.db2.gz QOVCPZTWGLIXFQ-GFCCVEGCSA-N -1 1 386.416 0.410 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)C1=COCCO1 ZINC001571269153 945613314 /nfs/dbraw/zinc/61/33/14/945613314.db2.gz QOVCPZTWGLIXFQ-GFCCVEGCSA-N -1 1 386.416 0.410 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1=COCCO1 ZINC001571269235 945615293 /nfs/dbraw/zinc/61/52/93/945615293.db2.gz STYWNSRSIUUZRG-NEPJUHHUSA-N -1 1 386.416 0.054 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3snnc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571269812 945625314 /nfs/dbraw/zinc/62/53/14/945625314.db2.gz DCQXZTGUTORFGT-SECBINFHSA-N -1 1 386.445 0.706 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3snnc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571269812 945625320 /nfs/dbraw/zinc/62/53/20/945625320.db2.gz DCQXZTGUTORFGT-SECBINFHSA-N -1 1 386.445 0.706 20 0 GCADMM Cc1cscc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571269909 945627581 /nfs/dbraw/zinc/62/75/81/945627581.db2.gz HQERVNAAOBGXQP-WCQYABFASA-N -1 1 386.441 0.396 20 0 GCADMM Cc1cscc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571269909 945627589 /nfs/dbraw/zinc/62/75/89/945627589.db2.gz HQERVNAAOBGXQP-WCQYABFASA-N -1 1 386.441 0.396 20 0 GCADMM CC[C@H]1CN(C(=O)c2csnn2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571269958 945627723 /nfs/dbraw/zinc/62/77/23/945627723.db2.gz IWWVOBRMGHLQFS-UWVGGRQHSA-N -1 1 386.445 0.861 20 0 GCADMM CC[C@H]1CN(C(=O)c2csnn2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571269958 945627728 /nfs/dbraw/zinc/62/77/28/945627728.db2.gz IWWVOBRMGHLQFS-UWVGGRQHSA-N -1 1 386.445 0.861 20 0 GCADMM COc1cc(C)sc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270066 945631048 /nfs/dbraw/zinc/63/10/48/945631048.db2.gz MCALVASYAKCRIH-AOOOYVTPSA-N -1 1 386.441 0.830 20 0 GCADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3nccnc3N)C2)c1-c1nn[n-]n1 ZINC001571270388 945637267 /nfs/dbraw/zinc/63/72/67/945637267.db2.gz SCFOFUKQYRZTDH-VIFPVBQESA-N -1 1 386.445 0.721 20 0 GCADMM Cc1nnsc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571270569 945638362 /nfs/dbraw/zinc/63/83/62/945638362.db2.gz VITOLDUNAMTBDB-SNVBAGLBSA-N -1 1 386.445 0.779 20 0 GCADMM Cc1nnsc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571270569 945638367 /nfs/dbraw/zinc/63/83/67/945638367.db2.gz VITOLDUNAMTBDB-SNVBAGLBSA-N -1 1 386.445 0.779 20 0 GCADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3cnns3)C2)cc(-c2nnn[n-]2)n1 ZINC001571270635 945639337 /nfs/dbraw/zinc/63/93/37/945639337.db2.gz XEUISVARNXEKJH-RKDXNWHRSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3cnns3)C2)cc(-c2nn[n-]n2)n1 ZINC001571270635 945639343 /nfs/dbraw/zinc/63/93/43/945639343.db2.gz XEUISVARNXEKJH-RKDXNWHRSA-N -1 1 386.445 0.786 20 0 GCADMM NS(=O)(=O)c1ccc(C2CCN(c3ncncc3-c3nn[n-]n3)CC2)cc1 ZINC001571270625 945639355 /nfs/dbraw/zinc/63/93/55/945639355.db2.gz XAFAHCHUIMXKCB-UHFFFAOYSA-N -1 1 386.441 0.688 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571270607 945639582 /nfs/dbraw/zinc/63/95/82/945639582.db2.gz WMZUSKIZGDVNPA-SECBINFHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571270607 945639585 /nfs/dbraw/zinc/63/95/85/945639585.db2.gz WMZUSKIZGDVNPA-SECBINFHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnsn2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270686 945640236 /nfs/dbraw/zinc/64/02/36/945640236.db2.gz YWJQLHCXIRGCCO-ZJUUUORDSA-N -1 1 386.445 0.140 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnns2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270665 945640789 /nfs/dbraw/zinc/64/07/89/945640789.db2.gz YFQRLSQFWXCHPQ-NXEZZACHSA-N -1 1 386.445 0.140 20 0 GCADMM C[C@H]1CN(C(=O)c2cnns2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270667 945641354 /nfs/dbraw/zinc/64/13/54/945641354.db2.gz YFQRLSQFWXCHPQ-VHSXEESVSA-N -1 1 386.445 0.140 20 0 GCADMM CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821165818 945647521 /nfs/dbraw/zinc/64/75/21/945647521.db2.gz WMLWYLHERBEBDH-UHFFFAOYSA-N -1 1 380.430 0.458 20 0 GCADMM CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821165818 945647528 /nfs/dbraw/zinc/64/75/28/945647528.db2.gz WMLWYLHERBEBDH-UHFFFAOYSA-N -1 1 380.430 0.458 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)CC1(O)CCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571272231 945657711 /nfs/dbraw/zinc/65/77/11/945657711.db2.gz BNDGGGQWEYHUGN-ZDUSSCGKSA-N -1 1 386.460 0.779 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)CC1(O)CCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571272231 945657720 /nfs/dbraw/zinc/65/77/20/945657720.db2.gz BNDGGGQWEYHUGN-ZDUSSCGKSA-N -1 1 386.460 0.779 20 0 GCADMM Cc1nsc(NC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC001571272372 945661359 /nfs/dbraw/zinc/66/13/59/945661359.db2.gz CFTKFLUAQDWLHJ-SVRRBLITSA-N -1 1 386.463 0.020 20 0 GCADMM Cc1nsc(NC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC001571272372 945661365 /nfs/dbraw/zinc/66/13/65/945661365.db2.gz CFTKFLUAQDWLHJ-SVRRBLITSA-N -1 1 386.463 0.020 20 0 GCADMM CO[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001571272414 945662212 /nfs/dbraw/zinc/66/22/12/945662212.db2.gz DEHMSQWAFMDUDY-INIZCTEOSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001571272414 945662215 /nfs/dbraw/zinc/66/22/15/945662215.db2.gz DEHMSQWAFMDUDY-INIZCTEOSA-N -1 1 386.460 0.899 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccccc1Cl ZINC001571272521 945665284 /nfs/dbraw/zinc/66/52/84/945665284.db2.gz VKNUZACLLRDZCG-VXGBXAGGSA-N -1 1 386.803 0.290 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccccc1Cl ZINC001571272521 945665286 /nfs/dbraw/zinc/66/52/86/945665286.db2.gz VKNUZACLLRDZCG-VXGBXAGGSA-N -1 1 386.803 0.290 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@H]3CCC3(C)C)[C@@H](O)C2)n1 ZINC001571272677 945666923 /nfs/dbraw/zinc/66/69/23/945666923.db2.gz HPQGFRLMALZJHE-RTXFEEFZSA-N -1 1 386.460 0.321 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@H]3CCC3(C)C)[C@@H](O)C2)n1 ZINC001571272677 945666928 /nfs/dbraw/zinc/66/69/28/945666928.db2.gz HPQGFRLMALZJHE-RTXFEEFZSA-N -1 1 386.460 0.321 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCCOC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571272799 945671670 /nfs/dbraw/zinc/67/16/70/945671670.db2.gz INNCFTULWFMQDM-JCGVRSQUSA-N -1 1 386.460 0.947 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CC(C)(C)O)n1 ZINC001571272817 945671701 /nfs/dbraw/zinc/67/17/01/945671701.db2.gz IWJIHLUEGHRMJA-TXEJJXNPSA-N -1 1 386.460 0.560 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CC(C)(C)O)n1 ZINC001571272817 945671705 /nfs/dbraw/zinc/67/17/05/945671705.db2.gz IWJIHLUEGHRMJA-TXEJJXNPSA-N -1 1 386.460 0.560 20 0 GCADMM CO[C@@H](C)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571272802 945671726 /nfs/dbraw/zinc/67/17/26/945671726.db2.gz IPRHJPUTAIGIQD-JSGCOSHPSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272802 945671731 /nfs/dbraw/zinc/67/17/31/945671731.db2.gz IPRHJPUTAIGIQD-JSGCOSHPSA-N -1 1 386.460 0.757 20 0 GCADMM COC1CCC(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571272815 945672199 /nfs/dbraw/zinc/67/21/99/945672199.db2.gz IVALMGPLZKJEPH-MOKVOYLWSA-N -1 1 386.460 0.947 20 0 GCADMM COC1CCC(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272815 945672206 /nfs/dbraw/zinc/67/22/06/945672206.db2.gz IVALMGPLZKJEPH-MOKVOYLWSA-N -1 1 386.460 0.947 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCOCC1 ZINC001571272849 945672985 /nfs/dbraw/zinc/67/29/85/945672985.db2.gz JMBZZXRYSURWOL-UONOGXRCSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCOCC1 ZINC001571272849 945672995 /nfs/dbraw/zinc/67/29/95/945672995.db2.gz JMBZZXRYSURWOL-UONOGXRCSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCOCC1 ZINC001571272847 945673135 /nfs/dbraw/zinc/67/31/35/945673135.db2.gz JMBZZXRYSURWOL-KBPBESRZSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCOCC1 ZINC001571272847 945673138 /nfs/dbraw/zinc/67/31/38/945673138.db2.gz JMBZZXRYSURWOL-KBPBESRZSA-N -1 1 386.460 0.949 20 0 GCADMM CO[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001571272908 945673387 /nfs/dbraw/zinc/67/33/87/945673387.db2.gz KTPLMKYGZUQXAB-LRDDRELGSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571272908 945673395 /nfs/dbraw/zinc/67/33/95/945673395.db2.gz KTPLMKYGZUQXAB-LRDDRELGSA-N -1 1 386.460 0.757 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)C[C@H]3CCCOC3)C2)n1 ZINC001571273025 945677269 /nfs/dbraw/zinc/67/72/69/945677269.db2.gz NHWKWDWSWKNECU-KGLIPLIRSA-N -1 1 386.460 0.867 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)C[C@H]3CCCOC3)C2)n1 ZINC001571273025 945677277 /nfs/dbraw/zinc/67/72/77/945677277.db2.gz NHWKWDWSWKNECU-KGLIPLIRSA-N -1 1 386.460 0.867 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2CNC(=O)C2CCCC2)n1 ZINC001571273012 945678153 /nfs/dbraw/zinc/67/81/53/945678153.db2.gz MZADIIKVBTYSNY-CYBMUJFWSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2CNC(=O)C2CCCC2)n1 ZINC001571273012 945678158 /nfs/dbraw/zinc/67/81/58/945678158.db2.gz MZADIIKVBTYSNY-CYBMUJFWSA-N -1 1 386.460 0.731 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)n1 ZINC001571273150 945679004 /nfs/dbraw/zinc/67/90/04/945679004.db2.gz QMNLSDOMMCETTI-ZFWWWQNUSA-N -1 1 386.460 0.819 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)n1 ZINC001571273150 945679012 /nfs/dbraw/zinc/67/90/12/945679012.db2.gz QMNLSDOMMCETTI-ZFWWWQNUSA-N -1 1 386.460 0.819 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC(O)CC1 ZINC001571273091 945679132 /nfs/dbraw/zinc/67/91/32/945679132.db2.gz OYBUXYGLRDMGCU-HSBZDZAISA-N -1 1 386.460 0.540 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC(O)CC1 ZINC001571273091 945679136 /nfs/dbraw/zinc/67/91/36/945679136.db2.gz OYBUXYGLRDMGCU-HSBZDZAISA-N -1 1 386.460 0.540 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CCC(O)CC1 ZINC001571273166 945681519 /nfs/dbraw/zinc/68/15/19/945681519.db2.gz RFEDVUFCHPGYPU-RJZJGCCBSA-N -1 1 386.460 0.905 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CCC(O)CC1 ZINC001571273166 945681523 /nfs/dbraw/zinc/68/15/23/945681523.db2.gz RFEDVUFCHPGYPU-RJZJGCCBSA-N -1 1 386.460 0.905 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001571273179 945681737 /nfs/dbraw/zinc/68/17/37/945681737.db2.gz RWEFGTINCAAFCD-QHSBEEBCSA-N -1 1 386.460 0.659 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001571273179 945681743 /nfs/dbraw/zinc/68/17/43/945681743.db2.gz RWEFGTINCAAFCD-QHSBEEBCSA-N -1 1 386.460 0.659 20 0 GCADMM COC1CCC(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571273219 945682531 /nfs/dbraw/zinc/68/25/31/945682531.db2.gz SUJVOBMBOIXDJS-HSBZDZAISA-N -1 1 386.460 0.544 20 0 GCADMM CO[C@@H]1CCC[C@H]1C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571273257 945683642 /nfs/dbraw/zinc/68/36/42/945683642.db2.gz UBDZYKJWYPIXGR-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CO[C@@H]1CCC[C@H]1C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571273257 945683650 /nfs/dbraw/zinc/68/36/50/945683650.db2.gz UBDZYKJWYPIXGR-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C3CCC(O)CC3)[C@H]2C)n1 ZINC001571273306 945683726 /nfs/dbraw/zinc/68/37/26/945683726.db2.gz VDELZUIQSRQRNT-RYSNWHEDSA-N -1 1 386.460 0.600 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C3CCC(O)CC3)[C@H]2C)n1 ZINC001571273306 945683733 /nfs/dbraw/zinc/68/37/33/945683733.db2.gz VDELZUIQSRQRNT-RYSNWHEDSA-N -1 1 386.460 0.600 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273254 945684685 /nfs/dbraw/zinc/68/46/85/945684685.db2.gz UATRVHWDIXCKQR-STQMWFEESA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273254 945684691 /nfs/dbraw/zinc/68/46/91/945684691.db2.gz UATRVHWDIXCKQR-STQMWFEESA-N -1 1 386.460 0.731 20 0 GCADMM CO[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)C1CCC1 ZINC001571273422 945688725 /nfs/dbraw/zinc/68/87/25/945688725.db2.gz XKUCRMXDAJBDOQ-KFNAQCHYSA-N -1 1 386.460 0.978 20 0 GCADMM CO[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)C1CCC1 ZINC001571273422 945688733 /nfs/dbraw/zinc/68/87/33/945688733.db2.gz XKUCRMXDAJBDOQ-KFNAQCHYSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@]1(NC(=O)c2ncc(F)cc2F)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571274296 945694590 /nfs/dbraw/zinc/69/45/90/945694590.db2.gz FERYAFZYHYBFJG-MRXNPFEDSA-N -1 1 387.354 0.729 20 0 GCADMM C[C@@]1(NC(=O)c2ncc(F)cc2F)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571274296 945694596 /nfs/dbraw/zinc/69/45/96/945694596.db2.gz FERYAFZYHYBFJG-MRXNPFEDSA-N -1 1 387.354 0.729 20 0 GCADMM O=C1Nc2ncc(Br)cc2C[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001571274155 945694984 /nfs/dbraw/zinc/69/49/84/945694984.db2.gz CQDMVEAURLLULJ-NSHDSACASA-N -1 1 387.201 0.816 20 0 GCADMM O=C1Nc2ncc(Br)cc2C[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001571274155 945694989 /nfs/dbraw/zinc/69/49/89/945694989.db2.gz CQDMVEAURLLULJ-NSHDSACASA-N -1 1 387.201 0.816 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571274948 945700450 /nfs/dbraw/zinc/70/04/50/945700450.db2.gz NCZIKSOEINPNJP-UHFFFAOYSA-N -1 1 387.379 0.203 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571274948 945700458 /nfs/dbraw/zinc/70/04/58/945700458.db2.gz NCZIKSOEINPNJP-UHFFFAOYSA-N -1 1 387.379 0.203 20 0 GCADMM CC1(C)CC[C@H](CC(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)OC1 ZINC001571275685 945711385 /nfs/dbraw/zinc/71/13/85/945711385.db2.gz AQGJCJSBCJSOMA-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@H](CC(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)OC1 ZINC001571275685 945711390 /nfs/dbraw/zinc/71/13/90/945711390.db2.gz AQGJCJSBCJSOMA-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C2(C)CCOCC2)C1 ZINC001571275770 945713265 /nfs/dbraw/zinc/71/32/65/945713265.db2.gz CBSGKNLLCRKXRW-QGZVFWFLSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571275759 945713506 /nfs/dbraw/zinc/71/35/06/945713506.db2.gz BXHRHHRKSUBENZ-STQMWFEESA-N -1 1 386.460 0.402 20 0 GCADMM CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571275775 945716456 /nfs/dbraw/zinc/71/64/56/945716456.db2.gz CDDATUKLPZCSFT-BNOWGMLFSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571275775 945716459 /nfs/dbraw/zinc/71/64/59/945716459.db2.gz CDDATUKLPZCSFT-BNOWGMLFSA-N -1 1 386.460 0.539 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571275922 945717815 /nfs/dbraw/zinc/71/78/15/945717815.db2.gz FTACZRBPQHKVEP-UKRRQHHQSA-N -1 1 386.460 0.817 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571275922 945717825 /nfs/dbraw/zinc/71/78/25/945717825.db2.gz FTACZRBPQHKVEP-UKRRQHHQSA-N -1 1 386.460 0.817 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1CC ZINC001571275860 945718783 /nfs/dbraw/zinc/71/87/83/945718783.db2.gz DJYFWVMGXAPBFT-FIRUKDTASA-N -1 1 386.460 0.945 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1CC ZINC001571275860 945718787 /nfs/dbraw/zinc/71/87/87/945718787.db2.gz DJYFWVMGXAPBFT-FIRUKDTASA-N -1 1 386.460 0.945 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)[C@H]1CCCCO1 ZINC001571275882 945719141 /nfs/dbraw/zinc/71/91/41/945719141.db2.gz DXEIBAYDZGOKDG-KGLIPLIRSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)[C@H]1CCCCO1 ZINC001571275882 945719145 /nfs/dbraw/zinc/71/91/45/945719145.db2.gz DXEIBAYDZGOKDG-KGLIPLIRSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)CCC2CCC2)CCO1 ZINC001571275950 945720902 /nfs/dbraw/zinc/72/09/02/945720902.db2.gz GGTPUSOFFQGUQL-TZMCWYRMSA-N -1 1 386.460 0.687 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571276083 945723393 /nfs/dbraw/zinc/72/33/93/945723393.db2.gz HAQZSIUDIBKHEA-AAVRWANBSA-N -1 1 386.460 0.591 20 0 GCADMM CCN(C(=O)C1CCC(O)CC1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571276109 945725424 /nfs/dbraw/zinc/72/54/24/945725424.db2.gz HGZGESDWTTZXIG-MOKVOYLWSA-N -1 1 386.460 0.635 20 0 GCADMM CCN(C(=O)C1CCC(O)CC1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571276109 945725428 /nfs/dbraw/zinc/72/54/28/945725428.db2.gz HGZGESDWTTZXIG-MOKVOYLWSA-N -1 1 386.460 0.635 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC001571276624 945734311 /nfs/dbraw/zinc/73/43/11/945734311.db2.gz JTUTXXKTDLRTPN-SGTLLEGYSA-N -1 1 386.460 0.544 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCOC2)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571278514 945755121 /nfs/dbraw/zinc/75/51/21/945755121.db2.gz OSYWAYIWEGHYOX-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCOC2)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571278514 945755132 /nfs/dbraw/zinc/75/51/32/945755132.db2.gz OSYWAYIWEGHYOX-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CN(C(=O)CC2(O)CCC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571278625 945756678 /nfs/dbraw/zinc/75/66/78/945756678.db2.gz POLIRFPCWOZUHA-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CN(C(=O)CC2(O)CCC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571278625 945756684 /nfs/dbraw/zinc/75/66/84/945756684.db2.gz POLIRFPCWOZUHA-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278690 945757426 /nfs/dbraw/zinc/75/74/26/945757426.db2.gz QZRYLOJMQKYLOT-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278690 945757441 /nfs/dbraw/zinc/75/74/41/945757441.db2.gz QZRYLOJMQKYLOT-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1C[C@@H](C(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278693 945757667 /nfs/dbraw/zinc/75/76/67/945757667.db2.gz QZRYLOJMQKYLOT-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1C[C@@H](C(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278693 945757674 /nfs/dbraw/zinc/75/76/74/945757674.db2.gz QZRYLOJMQKYLOT-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1C[C@H](C(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278692 945758623 /nfs/dbraw/zinc/75/86/23/945758623.db2.gz QZRYLOJMQKYLOT-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1C[C@H](C(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278692 945758627 /nfs/dbraw/zinc/75/86/27/945758627.db2.gz QZRYLOJMQKYLOT-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM COc1ccc(C(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)nn1 ZINC001571278804 945760516 /nfs/dbraw/zinc/76/05/16/945760516.db2.gz CMEQSWLAZXMNQB-DTORHVGOSA-N -1 1 387.429 0.803 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1csc(=O)[nH]1 ZINC001571278891 945763089 /nfs/dbraw/zinc/76/30/89/945763089.db2.gz FFVVOQJWWLHCEG-SECBINFHSA-N -1 1 387.429 0.608 20 0 GCADMM CCOC1CC(CC(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571278950 945765082 /nfs/dbraw/zinc/76/50/82/945765082.db2.gz SIOCMHYPEQALGF-MOKVOYLWSA-N -1 1 386.460 0.687 20 0 GCADMM COCc1ncsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571279043 945766424 /nfs/dbraw/zinc/76/64/24/945766424.db2.gz HFSNZEQQZWXUEH-SECBINFHSA-N -1 1 387.429 0.268 20 0 GCADMM COCc1ncsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571279043 945766429 /nfs/dbraw/zinc/76/64/29/945766429.db2.gz HFSNZEQQZWXUEH-SECBINFHSA-N -1 1 387.429 0.268 20 0 GCADMM Cc1nsc(NC[C@H]2CN(C(=O)c3ccncn3)CCO2)c1-c1nn[n-]n1 ZINC001571279015 945766965 /nfs/dbraw/zinc/76/69/65/945766965.db2.gz GAIAJGMSYFFIJN-JTQLQIEISA-N -1 1 387.429 0.375 20 0 GCADMM Cc1nsc(N2CCOC[C@H]2CNC(=O)c2cccnn2)c1-c1nn[n-]n1 ZINC001571279033 945767536 /nfs/dbraw/zinc/76/75/36/945767536.db2.gz GTAGOGAILFWNIC-SNVBAGLBSA-N -1 1 387.429 0.057 20 0 GCADMM O=C(c1cscn1)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571279017 945767833 /nfs/dbraw/zinc/76/78/33/945767833.db2.gz GAVDMYYNQHUALV-UHFFFAOYSA-N -1 1 387.429 0.192 20 0 GCADMM O=C(c1cscn1)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 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COc1cc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)sn1 ZINC001571279772 945785659 /nfs/dbraw/zinc/78/56/59/945785659.db2.gz VGVKZVRWHCUOOJ-VIFPVBQESA-N -1 1 387.429 0.473 20 0 GCADMM CC[C@@H]1C(=O)NCCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001571279708 945786569 /nfs/dbraw/zinc/78/65/69/945786569.db2.gz SXRZEJLZNRDBCY-CYBMUJFWSA-N -1 1 387.444 0.644 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571279839 945788035 /nfs/dbraw/zinc/78/80/35/945788035.db2.gz XPHTZYUITSMNOJ-DTWKUNHWSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571279839 945788040 /nfs/dbraw/zinc/78/80/40/945788040.db2.gz XPHTZYUITSMNOJ-DTWKUNHWSA-N -1 1 387.429 0.606 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571279791 945788646 /nfs/dbraw/zinc/78/86/46/945788646.db2.gz VZPBOBDJFYSPCM-SCZZXKLOSA-N -1 1 387.429 0.842 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001571279933 945791162 /nfs/dbraw/zinc/79/11/62/945791162.db2.gz ZSTPULZFPUXYRF-RKDXNWHRSA-N -1 1 387.429 0.203 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N2CCC(CCNc3ccnc(-c4nn[n-]n4)n3)CC2)CO1 ZINC001571279956 945792673 /nfs/dbraw/zinc/79/26/73/945792673.db2.gz YDUPBVHXOHWICK-TZMCWYRMSA-N -1 1 386.460 0.544 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C1CCC1 ZINC001571279961 945792873 /nfs/dbraw/zinc/79/28/73/945792873.db2.gz YGIWEIOBKFQOIN-OLZOCXBDSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2CCCCC2)CCO1 ZINC001571280022 945795512 /nfs/dbraw/zinc/79/55/12/945795512.db2.gz ZQVFRLOOANJSGD-JSGCOSHPSA-N -1 1 386.460 0.687 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)Cc3cnn(C)c3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571281717 945810877 /nfs/dbraw/zinc/81/08/77/945810877.db2.gz MMCYFBKNGYUPTJ-PWSUYJOCSA-N -1 1 387.473 0.691 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573449249 945814719 /nfs/dbraw/zinc/81/47/19/945814719.db2.gz VLPOLNGIHZHZOC-JOYOIKCWSA-N -1 1 392.489 0.949 20 0 GCADMM CC(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001573450513 945825940 /nfs/dbraw/zinc/82/59/40/945825940.db2.gz ILSNGFCYJNQOPS-UHFFFAOYSA-N -1 1 383.416 0.645 20 0 GCADMM CC(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573450513 945825953 /nfs/dbraw/zinc/82/59/53/945825953.db2.gz ILSNGFCYJNQOPS-UHFFFAOYSA-N -1 1 383.416 0.645 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282262 945836391 /nfs/dbraw/zinc/83/63/91/945836391.db2.gz WETLAVHNFZJMDM-LLVKDONJSA-N -1 1 387.473 0.991 20 0 GCADMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1OCC(N)=O ZINC000821708417 945839339 /nfs/dbraw/zinc/83/93/39/945839339.db2.gz PLMLVWFLFNYOTC-UHFFFAOYSA-N -1 1 384.352 0.491 20 0 GCADMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1OCC(N)=O ZINC000821708417 945839356 /nfs/dbraw/zinc/83/93/56/945839356.db2.gz PLMLVWFLFNYOTC-UHFFFAOYSA-N -1 1 384.352 0.491 20 0 GCADMM Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC001571282327 945840233 /nfs/dbraw/zinc/84/02/33/945840233.db2.gz HCOKBTBCCSTUAT-ZDUSSCGKSA-N -1 1 387.444 0.460 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573452073 945845704 /nfs/dbraw/zinc/84/57/04/945845704.db2.gz AKMQZZXLYCEJSG-SJKOYZFVSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573452073 945845714 /nfs/dbraw/zinc/84/57/14/945845714.db2.gz AKMQZZXLYCEJSG-SJKOYZFVSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573452185 945845893 /nfs/dbraw/zinc/84/58/93/945845893.db2.gz BSJOACBFAVRFEX-APPDUMDISA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573452185 945845907 /nfs/dbraw/zinc/84/59/07/945845907.db2.gz BSJOACBFAVRFEX-APPDUMDISA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573452355 945848003 /nfs/dbraw/zinc/84/80/03/945848003.db2.gz COJZXEHFVJAISN-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573452355 945848016 /nfs/dbraw/zinc/84/80/16/945848016.db2.gz COJZXEHFVJAISN-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573452357 945848218 /nfs/dbraw/zinc/84/82/18/945848218.db2.gz COJZXEHFVJAISN-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573452357 945848224 /nfs/dbraw/zinc/84/82/24/945848224.db2.gz COJZXEHFVJAISN-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453299 945859021 /nfs/dbraw/zinc/85/90/21/945859021.db2.gz LBDBGHYKUGTYGU-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453299 945859036 /nfs/dbraw/zinc/85/90/36/945859036.db2.gz LBDBGHYKUGTYGU-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453602 945862400 /nfs/dbraw/zinc/86/24/00/945862400.db2.gz MQWCJZLZPVBRND-GTNSWQLSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453602 945862410 /nfs/dbraw/zinc/86/24/10/945862410.db2.gz MQWCJZLZPVBRND-GTNSWQLSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573453572 945862610 /nfs/dbraw/zinc/86/26/10/945862610.db2.gz MFTUGVRHDMPIEH-PIGZYNQJSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573453572 945862620 /nfs/dbraw/zinc/86/26/20/945862620.db2.gz MFTUGVRHDMPIEH-PIGZYNQJSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453750 945864729 /nfs/dbraw/zinc/86/47/29/945864729.db2.gz OTKAUWJRGRWYDQ-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453750 945864739 /nfs/dbraw/zinc/86/47/39/945864739.db2.gz OTKAUWJRGRWYDQ-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453774 945864862 /nfs/dbraw/zinc/86/48/62/945864862.db2.gz PYGUSRVTOVJFJF-GTNSWQLSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453774 945864879 /nfs/dbraw/zinc/86/48/79/945864879.db2.gz PYGUSRVTOVJFJF-GTNSWQLSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453811 945865401 /nfs/dbraw/zinc/86/54/01/945865401.db2.gz QRMWBBAPYSIDTH-PIGZYNQJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453811 945865412 /nfs/dbraw/zinc/86/54/12/945865412.db2.gz QRMWBBAPYSIDTH-PIGZYNQJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573454028 945871723 /nfs/dbraw/zinc/87/17/23/945871723.db2.gz UUWMTLFSWKSGES-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573454028 945871741 /nfs/dbraw/zinc/87/17/41/945871741.db2.gz UUWMTLFSWKSGES-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573454027 945872346 /nfs/dbraw/zinc/87/23/46/945872346.db2.gz UUWMTLFSWKSGES-GTNSWQLSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573454027 945872354 /nfs/dbraw/zinc/87/23/54/945872354.db2.gz UUWMTLFSWKSGES-GTNSWQLSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573455269 945878972 /nfs/dbraw/zinc/87/89/72/945878972.db2.gz BFTVEJVHIOBODL-APPDUMDISA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573455269 945878995 /nfs/dbraw/zinc/87/89/95/945878995.db2.gz BFTVEJVHIOBODL-APPDUMDISA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC[C@@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573455312 945882932 /nfs/dbraw/zinc/88/29/32/945882932.db2.gz CKDBJZSMLZQPRL-DIFFPNOSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573455312 945882944 /nfs/dbraw/zinc/88/29/44/945882944.db2.gz CKDBJZSMLZQPRL-DIFFPNOSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573455530 945883150 /nfs/dbraw/zinc/88/31/50/945883150.db2.gz DGXVXFLWEPOYEK-PWSUYJOCSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573455530 945883156 /nfs/dbraw/zinc/88/31/56/945883156.db2.gz DGXVXFLWEPOYEK-PWSUYJOCSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573456315 945891603 /nfs/dbraw/zinc/89/16/03/945891603.db2.gz ISOWVEQYIGSVMO-PSTGCABASA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573456315 945891615 /nfs/dbraw/zinc/89/16/15/945891615.db2.gz ISOWVEQYIGSVMO-PSTGCABASA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001573456922 945900548 /nfs/dbraw/zinc/90/05/48/945900548.db2.gz QEWYXNROUFQJJZ-GFCCVEGCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001573456922 945900557 /nfs/dbraw/zinc/90/05/57/945900557.db2.gz QEWYXNROUFQJJZ-GFCCVEGCSA-N -1 1 387.448 0.220 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC001571284860 945905547 /nfs/dbraw/zinc/90/55/47/945905547.db2.gz VGBNNPLXTDGRDG-GFCCVEGCSA-N -1 1 387.787 0.586 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573457731 945906688 /nfs/dbraw/zinc/90/66/88/945906688.db2.gz ZHSGQQDAZCMLIE-QGZVFWFLSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573457731 945906696 /nfs/dbraw/zinc/90/66/96/945906696.db2.gz ZHSGQQDAZCMLIE-QGZVFWFLSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573457561 945908383 /nfs/dbraw/zinc/90/83/83/945908383.db2.gz XKEHVNTZJQYDBG-GFCCVEGCSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573457561 945908388 /nfs/dbraw/zinc/90/83/88/945908388.db2.gz XKEHVNTZJQYDBG-GFCCVEGCSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)C(C)C ZINC001573457627 945908404 /nfs/dbraw/zinc/90/84/04/945908404.db2.gz YCLKKHXKFXHAPC-INIZCTEOSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)C(C)C ZINC001573457627 945908410 /nfs/dbraw/zinc/90/84/10/945908410.db2.gz YCLKKHXKFXHAPC-INIZCTEOSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573459582 945912501 /nfs/dbraw/zinc/91/25/01/945912501.db2.gz GQPYCCWYEODSSU-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573459582 945912505 /nfs/dbraw/zinc/91/25/05/945912505.db2.gz GQPYCCWYEODSSU-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573460400 945916687 /nfs/dbraw/zinc/91/66/87/945916687.db2.gz KYIRCTNTKUJZCB-QMMMGPOBSA-N -1 1 380.478 0.487 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573462017 945928572 /nfs/dbraw/zinc/92/85/72/945928572.db2.gz WDEPZFWXYHNGDW-PWSUYJOCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573462017 945928583 /nfs/dbraw/zinc/92/85/83/945928583.db2.gz WDEPZFWXYHNGDW-PWSUYJOCSA-N -1 1 387.448 0.220 20 0 GCADMM COCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571285848 945930238 /nfs/dbraw/zinc/93/02/38/945930238.db2.gz PPPPXZFWEYPADQ-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM COCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571285848 945930243 /nfs/dbraw/zinc/93/02/43/945930243.db2.gz PPPPXZFWEYPADQ-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001573462096 945930457 /nfs/dbraw/zinc/93/04/57/945930457.db2.gz ZNTBALRGCXAGBK-CMPLNLGQSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001573462096 945930465 /nfs/dbraw/zinc/93/04/65/945930465.db2.gz ZNTBALRGCXAGBK-CMPLNLGQSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573462103 945930533 /nfs/dbraw/zinc/93/05/33/945930533.db2.gz ZRSDAUHVNDFRPK-NSHDSACASA-N -1 1 392.489 0.583 20 0 GCADMM Cc1ccc(CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1F ZINC001571285947 945932769 /nfs/dbraw/zinc/93/27/69/945932769.db2.gz RYAVAUWUXIZQAR-UHFFFAOYSA-N -1 1 388.363 0.076 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001573462252 945933777 /nfs/dbraw/zinc/93/37/77/945933777.db2.gz FCIBFOASPKQFEO-UHFFFAOYSA-N -1 1 392.489 0.997 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571286144 945938232 /nfs/dbraw/zinc/93/82/32/945938232.db2.gz ZIHXOSMYPUOUMO-UWVGGRQHSA-N -1 1 388.342 0.352 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OCc1ccccc1 ZINC001571286226 945938829 /nfs/dbraw/zinc/93/88/29/945938829.db2.gz BOHKVPICHYQGJS-NSHDSACASA-N -1 1 388.409 0.672 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OCc1ccccc1 ZINC001571286226 945938838 /nfs/dbraw/zinc/93/88/38/945938838.db2.gz BOHKVPICHYQGJS-NSHDSACASA-N -1 1 388.409 0.672 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573462476 945941709 /nfs/dbraw/zinc/94/17/09/945941709.db2.gz KENYBQVABSYBSC-MRVPVSSYSA-N -1 1 380.478 0.487 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573462550 945942595 /nfs/dbraw/zinc/94/25/95/945942595.db2.gz LIKKQKYDZAFYLQ-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573462550 945942607 /nfs/dbraw/zinc/94/26/07/945942607.db2.gz LIKKQKYDZAFYLQ-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM O=C(N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)[C@]1(F)CCOC1 ZINC001571286245 945942780 /nfs/dbraw/zinc/94/27/80/945942780.db2.gz BWVKMICGNFOZTJ-IRXDYDNUSA-N -1 1 388.407 0.214 20 0 GCADMM O=C(N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)[C@]1(F)CCOC1 ZINC001571286245 945942788 /nfs/dbraw/zinc/94/27/88/945942788.db2.gz BWVKMICGNFOZTJ-IRXDYDNUSA-N -1 1 388.407 0.214 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001573462489 945942946 /nfs/dbraw/zinc/94/29/46/945942946.db2.gz KIDNLPWTXANAHR-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001573462489 945942952 /nfs/dbraw/zinc/94/29/52/945942952.db2.gz KIDNLPWTXANAHR-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573462551 945943083 /nfs/dbraw/zinc/94/30/83/945943083.db2.gz LIKKQKYDZAFYLQ-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573462551 945943089 /nfs/dbraw/zinc/94/30/89/945943089.db2.gz LIKKQKYDZAFYLQ-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573462681 945943962 /nfs/dbraw/zinc/94/39/62/945943962.db2.gz MDQZOJNTASOQOZ-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573462681 945943971 /nfs/dbraw/zinc/94/39/71/945943971.db2.gz MDQZOJNTASOQOZ-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001573462779 945944196 /nfs/dbraw/zinc/94/41/96/945944196.db2.gz MZSIOYPYTCDZDI-PWSUYJOCSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001573462779 945944206 /nfs/dbraw/zinc/94/42/06/945944206.db2.gz MZSIOYPYTCDZDI-PWSUYJOCSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573462685 945945427 /nfs/dbraw/zinc/94/54/27/945945427.db2.gz MDQZOJNTASOQOZ-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573462685 945945433 /nfs/dbraw/zinc/94/54/33/945945433.db2.gz MDQZOJNTASOQOZ-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573463124 945949194 /nfs/dbraw/zinc/94/91/94/945949194.db2.gz QWAWRFAUHPSWOV-PWSUYJOCSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573463124 945949205 /nfs/dbraw/zinc/94/92/05/945949205.db2.gz QWAWRFAUHPSWOV-PWSUYJOCSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573463125 945949888 /nfs/dbraw/zinc/94/98/88/945949888.db2.gz QWAWRFAUHPSWOV-ZYHUDNBSSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573463125 945949899 /nfs/dbraw/zinc/94/98/99/945949899.db2.gz QWAWRFAUHPSWOV-ZYHUDNBSSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573462999 945950073 /nfs/dbraw/zinc/95/00/73/945950073.db2.gz QNCMJTCDGOMHIQ-ZYHUDNBSSA-N -1 1 387.448 0.045 20 0 GCADMM O=C(CC1OCCCO1)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571286497 945950934 /nfs/dbraw/zinc/95/09/34/945950934.db2.gz JJYJUCNRYZNOQH-NEPJUHHUSA-N -1 1 388.432 0.507 20 0 GCADMM O=C(CC1OCCCO1)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571286497 945950941 /nfs/dbraw/zinc/95/09/41/945950941.db2.gz JJYJUCNRYZNOQH-NEPJUHHUSA-N -1 1 388.432 0.507 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001571286741 945957722 /nfs/dbraw/zinc/95/77/22/945957722.db2.gz QKDVDAKHWBJRHV-GXTWGEPZSA-N -1 1 388.432 0.031 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001571286741 945957728 /nfs/dbraw/zinc/95/77/28/945957728.db2.gz QKDVDAKHWBJRHV-GXTWGEPZSA-N -1 1 388.432 0.031 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573463651 945959192 /nfs/dbraw/zinc/95/91/92/945959192.db2.gz ZEOMJRUANMNVMY-CMPLNLGQSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 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/nfs/dbraw/zinc/09/80/68/946098068.db2.gz ZEHOOBTXRWRPTQ-CQSZACIVSA-N -1 1 397.443 0.196 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCN(C)C1=O ZINC000822459855 946098080 /nfs/dbraw/zinc/09/80/80/946098080.db2.gz ZEHOOBTXRWRPTQ-CQSZACIVSA-N -1 1 397.443 0.196 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C[C@H]2O)co1 ZINC001571293205 946098535 /nfs/dbraw/zinc/09/85/35/946098535.db2.gz BBXUXPRFASJROL-VXGBXAGGSA-N -1 1 389.441 0.903 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccnc(C2CC2)c1 ZINC001571293299 946100577 /nfs/dbraw/zinc/10/05/77/946100577.db2.gz DOLSGCBNAMNYFV-NHAGDIPZSA-N -1 1 389.423 0.794 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccnc(C2CC2)c1 ZINC001571293299 946100585 /nfs/dbraw/zinc/10/05/85/946100585.db2.gz DOLSGCBNAMNYFV-NHAGDIPZSA-N -1 1 389.423 0.794 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573475231 946100764 /nfs/dbraw/zinc/10/07/64/946100764.db2.gz RRAKDYFEASDYCK-WZRBSPASSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573475231 946100766 /nfs/dbraw/zinc/10/07/66/946100766.db2.gz RRAKDYFEASDYCK-WZRBSPASSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573475550 946102336 /nfs/dbraw/zinc/10/23/36/946102336.db2.gz VNRKJVSFNZFEAT-SSDOTTSWSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573475550 946102342 /nfs/dbraw/zinc/10/23/42/946102342.db2.gz VNRKJVSFNZFEAT-SSDOTTSWSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573475551 946102376 /nfs/dbraw/zinc/10/23/76/946102376.db2.gz VNRKJVSFNZFEAT-ZETCQYMHSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573475551 946102381 /nfs/dbraw/zinc/10/23/81/946102381.db2.gz VNRKJVSFNZFEAT-ZETCQYMHSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573475751 946104098 /nfs/dbraw/zinc/10/40/98/946104098.db2.gz AJMXVJATDFPOKE-RQJHMYQMSA-N -1 1 386.869 0.665 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@@H]1Cc2cccnc2C1 ZINC001571293466 946105718 /nfs/dbraw/zinc/10/57/18/946105718.db2.gz JAXPNOXVTAYCRO-FJZAXULXSA-N -1 1 389.423 0.018 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@@H]1Cc2cccnc2C1 ZINC001571293466 946105721 /nfs/dbraw/zinc/10/57/21/946105721.db2.gz JAXPNOXVTAYCRO-FJZAXULXSA-N -1 1 389.423 0.018 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573476150 946114625 /nfs/dbraw/zinc/11/46/25/946114625.db2.gz ZZYXJRHDMZUFKA-GXSJLCMTSA-N -1 1 378.462 0.559 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCN(c3cnn(C)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000822541848 946118555 /nfs/dbraw/zinc/11/85/55/946118555.db2.gz RGAHSTIGDPROCH-GFCCVEGCSA-N -1 1 399.459 0.959 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(C)C ZINC001573476419 946119318 /nfs/dbraw/zinc/11/93/18/946119318.db2.gz GQDUUSAUPRKXPL-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(C)C ZINC001573476419 946119326 /nfs/dbraw/zinc/11/93/26/946119326.db2.gz GQDUUSAUPRKXPL-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573476387 946119441 /nfs/dbraw/zinc/11/94/41/946119441.db2.gz GEPOZUUCQPXZGJ-JTQLQIEISA-N -1 1 392.489 0.997 20 0 GCADMM Cc1ncc(C(=O)NC[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)CCO2)[nH]1 ZINC001571293945 946120575 /nfs/dbraw/zinc/12/05/75/946120575.db2.gz WRRPLOUMULOGJU-SNVBAGLBSA-N -1 1 389.445 0.298 20 0 GCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001571293942 946121105 /nfs/dbraw/zinc/12/11/05/946121105.db2.gz WRORXUZLUXGYCE-SECBINFHSA-N -1 1 389.434 0.027 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573476746 946125620 /nfs/dbraw/zinc/12/56/20/946125620.db2.gz JFCHRGQHMSOWDJ-BQBZGAKWSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573476746 946125629 /nfs/dbraw/zinc/12/56/29/946125629.db2.gz JFCHRGQHMSOWDJ-BQBZGAKWSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573476901 946127543 /nfs/dbraw/zinc/12/75/43/946127543.db2.gz KUQDDXDVGGYVMG-BQBZGAKWSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573476901 946127554 /nfs/dbraw/zinc/12/75/54/946127554.db2.gz KUQDDXDVGGYVMG-BQBZGAKWSA-N -1 1 386.869 0.442 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ccn(C(F)F)n1 ZINC001571294383 946134101 /nfs/dbraw/zinc/13/41/01/946134101.db2.gz DAXUYMKMPPFEEP-DTWKUNHWSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ccn(C(F)F)n1 ZINC001571294383 946134112 /nfs/dbraw/zinc/13/41/12/946134112.db2.gz DAXUYMKMPPFEEP-DTWKUNHWSA-N -1 1 390.358 0.963 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573477463 946136512 /nfs/dbraw/zinc/13/65/12/946136512.db2.gz RAVZIBHPYHQUQB-LLVKDONJSA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573477463 946136516 /nfs/dbraw/zinc/13/65/16/946136516.db2.gz RAVZIBHPYHQUQB-LLVKDONJSA-N -1 1 387.448 0.331 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 ZINC000822609492 946137692 /nfs/dbraw/zinc/13/76/92/946137692.db2.gz OCADESWKHJUFED-JTQLQIEISA-N -1 1 375.437 0.759 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 ZINC000822609492 946137696 /nfs/dbraw/zinc/13/76/96/946137696.db2.gz OCADESWKHJUFED-JTQLQIEISA-N -1 1 375.437 0.759 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573477620 946141844 /nfs/dbraw/zinc/14/18/44/946141844.db2.gz SWTGSKPPPWTEIH-NKWVEPMBSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573477620 946141852 /nfs/dbraw/zinc/14/18/52/946141852.db2.gz SWTGSKPPPWTEIH-NKWVEPMBSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573477850 946142815 /nfs/dbraw/zinc/14/28/15/946142815.db2.gz URCUJTIUEDDTQH-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573477850 946142821 /nfs/dbraw/zinc/14/28/21/946142821.db2.gz URCUJTIUEDDTQH-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)CC(C)C ZINC001573477896 946143465 /nfs/dbraw/zinc/14/34/65/946143465.db2.gz VBFJFVUKJAOQSL-AAEUAGOBSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)CC(C)C ZINC001573477896 946143474 /nfs/dbraw/zinc/14/34/74/946143474.db2.gz VBFJFVUKJAOQSL-AAEUAGOBSA-N -1 1 389.464 0.433 20 0 GCADMM O=C(N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1(C(F)F)CCC1 ZINC001571294950 946149628 /nfs/dbraw/zinc/14/96/28/946149628.db2.gz QONFPBHOXHQWSP-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM O=C(N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1(C(F)F)CCC1 ZINC001571294950 946149634 /nfs/dbraw/zinc/14/96/34/946149634.db2.gz QONFPBHOXHQWSP-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM C[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1)c1nc(C(F)(F)F)no1 ZINC001571294955 946149962 /nfs/dbraw/zinc/14/99/62/946149962.db2.gz QVUSWUMEZOMNCT-YFKPBYRVSA-N -1 1 390.307 0.703 20 0 GCADMM O=C(Cn1ccc(C(F)F)n1)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294940 946150530 /nfs/dbraw/zinc/15/05/30/946150530.db2.gz QMJHNLMNICRGRO-KYZUINATSA-N -1 1 390.358 0.550 20 0 GCADMM O=C(Cn1ccc(C(F)F)n1)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294940 946150537 /nfs/dbraw/zinc/15/05/37/946150537.db2.gz QMJHNLMNICRGRO-KYZUINATSA-N -1 1 390.358 0.550 20 0 GCADMM O=C(NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)c1cc(Cl)c[nH]1 ZINC001571295095 946151935 /nfs/dbraw/zinc/15/19/35/946151935.db2.gz SRUCOYHSSDBMBJ-JTQLQIEISA-N -1 1 389.807 0.273 20 0 GCADMM O=C(NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)c1cc(Cl)c[nH]1 ZINC001571295095 946151944 /nfs/dbraw/zinc/15/19/44/946151944.db2.gz SRUCOYHSSDBMBJ-JTQLQIEISA-N -1 1 389.807 0.273 20 0 GCADMM CN(C(=O)c1cnn(C(F)F)c1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571295158 946154431 /nfs/dbraw/zinc/15/44/31/946154431.db2.gz VAXMLSBSDDRNLB-SNVBAGLBSA-N -1 1 390.358 0.599 20 0 GCADMM Cn1cc(N2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CC2)cn1 ZINC000822685027 946155917 /nfs/dbraw/zinc/15/59/17/946155917.db2.gz QJFPYKYXRZBPNU-UHFFFAOYSA-N -1 1 392.420 0.250 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573479513 946160853 /nfs/dbraw/zinc/16/08/53/946160853.db2.gz DSVNAHLJBVLZST-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573479513 946160860 /nfs/dbraw/zinc/16/08/60/946160860.db2.gz DSVNAHLJBVLZST-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)c1ncccn1 ZINC001571295353 946161955 /nfs/dbraw/zinc/16/19/55/946161955.db2.gz YQSNZKMHYKKOFX-JIGDXULJSA-N -1 1 389.832 0.631 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573480247 946173511 /nfs/dbraw/zinc/17/35/11/946173511.db2.gz JSVFDYXNLOLGJU-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573480247 946173515 /nfs/dbraw/zinc/17/35/15/946173515.db2.gz JSVFDYXNLOLGJU-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001571295784 946174132 /nfs/dbraw/zinc/17/41/32/946174132.db2.gz FYFCFBBHXBNZAO-DIFFPNOSSA-N -1 1 390.423 0.601 20 0 GCADMM CC[C@H](F)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571295827 946176164 /nfs/dbraw/zinc/17/61/64/946176164.db2.gz GZBRTWKTRAZTMX-LBPRGKRZSA-N -1 1 390.423 0.603 20 0 GCADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3cocn3)CCCO2)c1-c1nn[n-]n1 ZINC001571295851 946177341 /nfs/dbraw/zinc/17/73/41/946177341.db2.gz HNKGBGXSKSBONX-SNVBAGLBSA-N -1 1 390.429 0.963 20 0 GCADMM Cc1conc1C(=O)N1CCO[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571295945 946180264 /nfs/dbraw/zinc/18/02/64/946180264.db2.gz KCHYEAIAIWYZMF-SNVBAGLBSA-N -1 1 390.429 0.881 20 0 GCADMM CN(C(=O)C1(F)CCOCC1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571296196 946187297 /nfs/dbraw/zinc/18/72/97/946187297.db2.gz QEHBWEPYEFNQNA-UHFFFAOYSA-N -1 1 390.423 0.603 20 0 GCADMM CN(C(=O)C1(F)CCOCC1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571296196 946187304 /nfs/dbraw/zinc/18/73/04/946187304.db2.gz QEHBWEPYEFNQNA-UHFFFAOYSA-N -1 1 390.423 0.603 20 0 GCADMM O=C(N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCOCC1 ZINC001571296204 946187647 /nfs/dbraw/zinc/18/76/47/946187647.db2.gz QKKQKLKIRQKVJR-LBPRGKRZSA-N -1 1 390.423 0.248 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573482288 946194051 /nfs/dbraw/zinc/19/40/51/946194051.db2.gz WCSUQUNLSUTIBV-DGCLKSJQSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573482288 946194057 /nfs/dbraw/zinc/19/40/57/946194057.db2.gz WCSUQUNLSUTIBV-DGCLKSJQSA-N -1 1 387.448 0.047 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@@H]1COc2ccccc21 ZINC001571296413 946194008 /nfs/dbraw/zinc/19/40/08/946194008.db2.gz XGMUDBLZLNRGPM-COMQUAJESA-N -1 1 390.407 0.384 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@@H]1COc2ccccc21 ZINC001571296413 946194017 /nfs/dbraw/zinc/19/40/17/946194017.db2.gz XGMUDBLZLNRGPM-COMQUAJESA-N -1 1 390.407 0.384 20 0 GCADMM C[C@H]1C[C@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571296417 946194454 /nfs/dbraw/zinc/19/44/54/946194454.db2.gz XIISXMJWLBWUAW-NWDGAFQWSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1C[C@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571296417 946194461 /nfs/dbraw/zinc/19/44/61/946194461.db2.gz XIISXMJWLBWUAW-NWDGAFQWSA-N -1 1 390.423 0.649 20 0 GCADMM O=C(N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1)[C@]1(F)CCOC1 ZINC001571296394 946195094 /nfs/dbraw/zinc/19/50/94/946195094.db2.gz WXVHDSAMJLSHFQ-SJCJKPOMSA-N -1 1 390.423 0.968 20 0 GCADMM O=C(N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1)[C@]1(F)CCOC1 ZINC001571296394 946195103 /nfs/dbraw/zinc/19/51/03/946195103.db2.gz WXVHDSAMJLSHFQ-SJCJKPOMSA-N -1 1 390.423 0.968 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571296462 946197099 /nfs/dbraw/zinc/19/70/99/946197099.db2.gz YQLIQSQLPLXDSE-IAGOWNOFSA-N -1 1 390.423 0.744 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571296462 946197107 /nfs/dbraw/zinc/19/71/07/946197107.db2.gz YQLIQSQLPLXDSE-IAGOWNOFSA-N -1 1 390.423 0.744 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573482571 946199188 /nfs/dbraw/zinc/19/91/88/946199188.db2.gz YCVABXNOKHDRRK-YPMHNXCESA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573482571 946199194 /nfs/dbraw/zinc/19/91/94/946199194.db2.gz YCVABXNOKHDRRK-YPMHNXCESA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573482859 946204080 /nfs/dbraw/zinc/20/40/80/946204080.db2.gz AXMSRMQPAFUACK-FBIMIBRVSA-N -1 1 378.462 0.463 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573482861 946204599 /nfs/dbraw/zinc/20/45/99/946204599.db2.gz AXMSRMQPAFUACK-INTQDDNPSA-N -1 1 378.462 0.463 20 0 GCADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)c1-c1nn[n-]n1 ZINC001571298104 946205659 /nfs/dbraw/zinc/20/56/59/946205659.db2.gz JPYFKMHFOYKNNR-DVVUODLYSA-N -1 1 390.473 0.099 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573483617 946208798 /nfs/dbraw/zinc/20/87/98/946208798.db2.gz GDJYDKYDUSDMIR-UBHAPETDSA-N -1 1 392.489 0.345 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571298767 946228105 /nfs/dbraw/zinc/22/81/05/946228105.db2.gz QOXYCZCKAOVHCN-LBPRGKRZSA-N -1 1 390.473 0.195 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571298825 946230377 /nfs/dbraw/zinc/23/03/77/946230377.db2.gz REQIFRMQRBMBHL-OUAUKWLOSA-N -1 1 390.473 0.384 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573486643 946243759 /nfs/dbraw/zinc/24/37/59/946243759.db2.gz HYGALCFECWVSTH-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573486643 946243768 /nfs/dbraw/zinc/24/37/68/946243768.db2.gz HYGALCFECWVSTH-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573486645 946243855 /nfs/dbraw/zinc/24/38/55/946243855.db2.gz HYGALCFECWVSTH-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573486645 946243863 /nfs/dbraw/zinc/24/38/63/946243863.db2.gz HYGALCFECWVSTH-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573487269 946248314 /nfs/dbraw/zinc/24/83/14/946248314.db2.gz LODLQLVGJZMDPJ-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573487269 946248326 /nfs/dbraw/zinc/24/83/26/946248326.db2.gz LODLQLVGJZMDPJ-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573487270 946249426 /nfs/dbraw/zinc/24/94/26/946249426.db2.gz LODLQLVGJZMDPJ-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573487270 946249434 /nfs/dbraw/zinc/24/94/34/946249434.db2.gz LODLQLVGJZMDPJ-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571299568 946254849 /nfs/dbraw/zinc/25/48/49/946254849.db2.gz XIXNKWGLXVOICU-GMTAPVOTSA-N -1 1 390.473 0.750 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573487660 946257623 /nfs/dbraw/zinc/25/76/23/946257623.db2.gz QXLSWSMBRANTIB-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573487660 946257634 /nfs/dbraw/zinc/25/76/34/946257634.db2.gz QXLSWSMBRANTIB-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM Cc1nsc(N[C@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571299665 946259713 /nfs/dbraw/zinc/25/97/13/946259713.db2.gz YVUYWUJQJYGSKU-KOLCDFICSA-N -1 1 390.473 0.513 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488618 946268699 /nfs/dbraw/zinc/26/86/99/946268699.db2.gz GAYUPQXKXXQTMY-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488618 946268713 /nfs/dbraw/zinc/26/87/13/946268713.db2.gz GAYUPQXKXXQTMY-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM O=C(COC(=O)[C@@H]1CCC[C@H]1O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018678 946275179 /nfs/dbraw/zinc/27/51/79/946275179.db2.gz VZNNCPMCNUXSDP-TZMCWYRMSA-N -1 1 397.395 0.695 20 0 GCADMM O=C(COC(=O)[C@@H]1CCC[C@H]1O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018678 946275187 /nfs/dbraw/zinc/27/51/87/946275187.db2.gz VZNNCPMCNUXSDP-TZMCWYRMSA-N -1 1 397.395 0.695 20 0 GCADMM CC(=O)NC1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCCC1 ZINC001573488827 946276394 /nfs/dbraw/zinc/27/63/94/946276394.db2.gz NCPSWOMQKSDOQD-UHFFFAOYSA-N -1 1 385.432 0.166 20 0 GCADMM CC(=O)NC1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001573488827 946276399 /nfs/dbraw/zinc/27/63/99/946276399.db2.gz NCPSWOMQKSDOQD-UHFFFAOYSA-N -1 1 385.432 0.166 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488887 946280364 /nfs/dbraw/zinc/28/03/64/946280364.db2.gz OWDXXMMWWXZFBQ-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488887 946280371 /nfs/dbraw/zinc/28/03/71/946280371.db2.gz OWDXXMMWWXZFBQ-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NC1CCC2(CC1)OCCO2 ZINC000823026766 946281390 /nfs/dbraw/zinc/28/13/90/946281390.db2.gz GDVGGPYAJQATLH-UHFFFAOYSA-N -1 1 393.425 0.887 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NC1CCC2(CC1)OCCO2 ZINC000823026766 946281395 /nfs/dbraw/zinc/28/13/95/946281395.db2.gz GDVGGPYAJQATLH-UHFFFAOYSA-N -1 1 393.425 0.887 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573489016 946281736 /nfs/dbraw/zinc/28/17/36/946281736.db2.gz ULIVCNUBPSZNRP-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573489016 946281745 /nfs/dbraw/zinc/28/17/45/946281745.db2.gz ULIVCNUBPSZNRP-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573489012 946281813 /nfs/dbraw/zinc/28/18/13/946281813.db2.gz UFRDHNFKPZBZRQ-GHMZBOCLSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573489012 946281825 /nfs/dbraw/zinc/28/18/25/946281825.db2.gz UFRDHNFKPZBZRQ-GHMZBOCLSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573489013 946282464 /nfs/dbraw/zinc/28/24/64/946282464.db2.gz UFRDHNFKPZBZRQ-MNOVXSKESA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573489013 946282474 /nfs/dbraw/zinc/28/24/74/946282474.db2.gz UFRDHNFKPZBZRQ-MNOVXSKESA-N -1 1 387.448 0.411 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ocnc1C(F)F ZINC001571301779 946282728 /nfs/dbraw/zinc/28/27/28/946282728.db2.gz DAPYJHQCLMTGPY-QMMMGPOBSA-N -1 1 391.342 0.839 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ocnc1C(F)F ZINC001571301779 946282733 /nfs/dbraw/zinc/28/27/33/946282733.db2.gz DAPYJHQCLMTGPY-QMMMGPOBSA-N -1 1 391.342 0.839 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001573489026 946285702 /nfs/dbraw/zinc/28/57/02/946285702.db2.gz UWMOZAWTKPDVIH-LBPRGKRZSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001573489026 946285712 /nfs/dbraw/zinc/28/57/12/946285712.db2.gz UWMOZAWTKPDVIH-LBPRGKRZSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573489090 946285961 /nfs/dbraw/zinc/28/59/61/946285961.db2.gz XCSBZFZPNNEVAW-WDEREUQCSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573489090 946285975 /nfs/dbraw/zinc/28/59/75/946285975.db2.gz XCSBZFZPNNEVAW-WDEREUQCSA-N -1 1 387.448 0.411 20 0 GCADMM C[C@@]1(NC(=O)c2ocnc2C(F)F)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571302017 946289290 /nfs/dbraw/zinc/28/92/90/946289290.db2.gz LVVIIARACGUHBN-OAHLLOKOSA-N -1 1 391.342 0.981 20 0 GCADMM CC(C)c1cnc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571302123 946292121 /nfs/dbraw/zinc/29/21/21/946292121.db2.gz PDDVXUQOFGLEHM-UHFFFAOYSA-N -1 1 391.417 0.531 20 0 GCADMM O=C(CCc1ccccn1)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571302572 946306771 /nfs/dbraw/zinc/30/67/71/946306771.db2.gz BSJMZYIPPHAYBZ-OKILXGFUSA-N -1 1 391.439 0.579 20 0 GCADMM O=C(CCc1ccccn1)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571302572 946306779 /nfs/dbraw/zinc/30/67/79/946306779.db2.gz BSJMZYIPPHAYBZ-OKILXGFUSA-N -1 1 391.439 0.579 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571302639 946309104 /nfs/dbraw/zinc/30/91/04/946309104.db2.gz DDJUDNDLYYONIP-JKSUJKDBSA-N -1 1 391.439 0.864 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571302639 946309116 /nfs/dbraw/zinc/30/91/16/946309116.db2.gz DDJUDNDLYYONIP-JKSUJKDBSA-N -1 1 391.439 0.864 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCc2cccnc21 ZINC001571302651 946310865 /nfs/dbraw/zinc/31/08/65/946310865.db2.gz DOYRPBRDRJWFTR-KBPBESRZSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2cccnc21 ZINC001571302651 946310876 /nfs/dbraw/zinc/31/08/76/946310876.db2.gz DOYRPBRDRJWFTR-KBPBESRZSA-N -1 1 391.439 0.867 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573495783 946314100 /nfs/dbraw/zinc/31/41/00/946314100.db2.gz SNFVOLVDWAANAB-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573495783 946314113 /nfs/dbraw/zinc/31/41/13/946314113.db2.gz SNFVOLVDWAANAB-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)n1 ZINC001571302832 946316799 /nfs/dbraw/zinc/31/67/99/946316799.db2.gz HBNDKDRLYKEPAO-UONOGXRCSA-N -1 1 391.439 0.788 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)n1 ZINC001571302832 946316810 /nfs/dbraw/zinc/31/68/10/946316810.db2.gz HBNDKDRLYKEPAO-UONOGXRCSA-N -1 1 391.439 0.788 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccncc2C)n1 ZINC001571302936 946319293 /nfs/dbraw/zinc/31/92/93/946319293.db2.gz DWTZUIXFSOUQMU-LAQFHYBYSA-N -1 1 391.439 0.787 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccncc2C)n1 ZINC001571302936 946319303 /nfs/dbraw/zinc/31/93/03/946319303.db2.gz DWTZUIXFSOUQMU-LAQFHYBYSA-N -1 1 391.439 0.787 20 0 GCADMM O=C(CCc1cccnc1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571302903 946319498 /nfs/dbraw/zinc/31/94/98/946319498.db2.gz ITCJOHZBXUEHDJ-GASCZTMLSA-N -1 1 391.439 0.579 20 0 GCADMM O=C(CCc1cccnc1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571302903 946319511 /nfs/dbraw/zinc/31/95/11/946319511.db2.gz ITCJOHZBXUEHDJ-GASCZTMLSA-N -1 1 391.439 0.579 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573496198 946321654 /nfs/dbraw/zinc/32/16/54/946321654.db2.gz WVMZXXLGNYSOOS-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573496198 946321666 /nfs/dbraw/zinc/32/16/66/946321666.db2.gz WVMZXXLGNYSOOS-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM CCc1cncc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)c1 ZINC001571302997 946322155 /nfs/dbraw/zinc/32/21/55/946322155.db2.gz HASRMMRXIWTBQJ-GASCZTMLSA-N -1 1 391.439 0.823 20 0 GCADMM C[C@@]1(NC(=O)[C@H]2CCc3cccnc32)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571303126 946325949 /nfs/dbraw/zinc/32/59/49/946325949.db2.gz HYAABPCAGQZHKB-ORAYPTAESA-N -1 1 391.439 0.867 20 0 GCADMM C[C@@]1(NC(=O)[C@H]2CCc3cccnc32)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571303126 946325962 /nfs/dbraw/zinc/32/59/62/946325962.db2.gz HYAABPCAGQZHKB-ORAYPTAESA-N -1 1 391.439 0.867 20 0 GCADMM Cc1cncc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571303254 946328176 /nfs/dbraw/zinc/32/81/76/946328176.db2.gz MRGNKLGRLHNZPT-ILXRZTDVSA-N -1 1 391.439 0.829 20 0 GCADMM Cc1nc(C2CC2)ccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303272 946331374 /nfs/dbraw/zinc/33/13/74/946331374.db2.gz NDQNKFHXAUUGNB-CYBMUJFWSA-N -1 1 391.439 0.986 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@H]1Cc2cccnc2C1 ZINC001571303430 946336940 /nfs/dbraw/zinc/33/69/40/946336940.db2.gz QUSONIVDYAWEBG-KBPBESRZSA-N -1 1 391.439 0.552 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@H]1Cc2cccnc2C1 ZINC001571303430 946336952 /nfs/dbraw/zinc/33/69/52/946336952.db2.gz QUSONIVDYAWEBG-KBPBESRZSA-N -1 1 391.439 0.552 20 0 GCADMM CC(=O)N[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3-c3nn[n-]n3)CC2)C1 ZINC001573496962 946337314 /nfs/dbraw/zinc/33/73/14/946337314.db2.gz IJUYAOJQRICODF-CYBMUJFWSA-N -1 1 388.432 0.117 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(c2cccnc2)CC1 ZINC001571303553 946340420 /nfs/dbraw/zinc/34/04/20/946340420.db2.gz SSJQLIGYVKHILP-MQMHXKEQSA-N -1 1 391.439 0.512 20 0 GCADMM Cc1cncc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571303687 946344207 /nfs/dbraw/zinc/34/42/07/946344207.db2.gz VPJHHDQLNVWUMQ-GASCZTMLSA-N -1 1 391.439 0.782 20 0 GCADMM Cc1cncc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571303687 946344220 /nfs/dbraw/zinc/34/42/20/946344220.db2.gz VPJHHDQLNVWUMQ-GASCZTMLSA-N -1 1 391.439 0.782 20 0 GCADMM CN(C(=O)[C@@H]1Cc2cccnc2C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571303887 946349758 /nfs/dbraw/zinc/34/97/58/946349758.db2.gz SBQZOJQBLHNTPN-KGLIPLIRSA-N -1 1 391.439 0.504 20 0 GCADMM CN(C(=O)[C@@H]1Cc2cccnc2C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571303887 946349772 /nfs/dbraw/zinc/34/97/72/946349772.db2.gz SBQZOJQBLHNTPN-KGLIPLIRSA-N -1 1 391.439 0.504 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(c3ccccn3)CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571303996 946354535 /nfs/dbraw/zinc/35/45/35/946354535.db2.gz UVYILVHVACDNCL-OLZOCXBDSA-N -1 1 391.439 0.867 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(c3ccccn3)CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571303996 946354542 /nfs/dbraw/zinc/35/45/42/946354542.db2.gz UVYILVHVACDNCL-OLZOCXBDSA-N -1 1 391.439 0.867 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(c3cccnc3)CC2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571304126 946356611 /nfs/dbraw/zinc/35/66/11/946356611.db2.gz YKXGAIUTKFJSBO-OCCSQVGLSA-N -1 1 391.439 0.867 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(c3cccnc3)CC2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571304126 946356624 /nfs/dbraw/zinc/35/66/24/946356624.db2.gz YKXGAIUTKFJSBO-OCCSQVGLSA-N -1 1 391.439 0.867 20 0 GCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@H](C)NC(=O)OC(C)(C)C)c(=O)n1C1CC1 ZINC001571304180 946362043 /nfs/dbraw/zinc/36/20/43/946362043.db2.gz ZPLDPXQLWPSRJI-VIFPVBQESA-N -1 1 391.432 0.747 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H](C)C1 ZINC001573500385 946374102 /nfs/dbraw/zinc/37/41/02/946374102.db2.gz IOADZDRGSXZNOV-XPUUQOCRSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573500380 946375650 /nfs/dbraw/zinc/37/56/50/946375650.db2.gz IOADZDRGSXZNOV-HTRCEHHLSA-N -1 1 384.853 0.372 20 0 GCADMM Cc1c(Cl)cncc1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571306148 946388788 /nfs/dbraw/zinc/38/87/88/946388788.db2.gz QDFKBJUEHWSNAO-UHFFFAOYSA-N -1 1 391.779 0.308 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001573505175 946416517 /nfs/dbraw/zinc/41/65/17/946416517.db2.gz KIIFRNDZOYEEHD-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001573505175 946416522 /nfs/dbraw/zinc/41/65/22/946416522.db2.gz KIIFRNDZOYEEHD-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](N(C)c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573505266 946419063 /nfs/dbraw/zinc/41/90/63/946419063.db2.gz LSGHQEZKMGECJW-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](N(C)c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573505266 946419071 /nfs/dbraw/zinc/41/90/71/946419071.db2.gz LSGHQEZKMGECJW-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573505624 946424139 /nfs/dbraw/zinc/42/41/39/946424139.db2.gz MCJRORQPPLPCSB-NSHDSACASA-N -1 1 378.462 0.418 20 0 GCADMM O=S(=O)(C[C@H]1CC[C@H](C(F)(F)F)O1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571308752 946435143 /nfs/dbraw/zinc/43/51/43/946435143.db2.gz SQIIZHHCPMKSMG-MWLCHTKSSA-N -1 1 392.363 0.791 20 0 GCADMM O=S(=O)(C[C@H]1CC[C@H](C(F)(F)F)O1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571308752 946435149 /nfs/dbraw/zinc/43/51/49/946435149.db2.gz SQIIZHHCPMKSMG-MWLCHTKSSA-N -1 1 392.363 0.791 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573506692 946435711 /nfs/dbraw/zinc/43/57/11/946435711.db2.gz ROGAYORUORPKOB-WCQYABFASA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573506692 946435721 /nfs/dbraw/zinc/43/57/21/946435721.db2.gz ROGAYORUORPKOB-WCQYABFASA-N -1 1 387.448 0.140 20 0 GCADMM Cn1cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)nn1 ZINC001571309584 946448849 /nfs/dbraw/zinc/44/88/49/946448849.db2.gz DVUPQRDIHWBHEC-JTQLQIEISA-N -1 1 392.420 0.703 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573507688 946449653 /nfs/dbraw/zinc/44/96/53/946449653.db2.gz WROVEEYNJHGXBN-RISCZKNCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573507688 946449660 /nfs/dbraw/zinc/44/96/60/946449660.db2.gz WROVEEYNJHGXBN-RISCZKNCSA-N -1 1 387.448 0.222 20 0 GCADMM NC(=O)[C@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)c2ccccc2O1 ZINC001571309680 946451924 /nfs/dbraw/zinc/45/19/24/946451924.db2.gz HOMWYVHWDGRFNB-SNVBAGLBSA-N -1 1 392.422 0.370 20 0 GCADMM Cc1ccc(OCC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)cc1 ZINC001571309722 946451933 /nfs/dbraw/zinc/45/19/33/946451933.db2.gz IODSJPVYJRFKES-KBPBESRZSA-N -1 1 392.423 0.834 20 0 GCADMM Cc1ccc(OCC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)cc1 ZINC001571309722 946451937 /nfs/dbraw/zinc/45/19/37/946451937.db2.gz IODSJPVYJRFKES-KBPBESRZSA-N -1 1 392.423 0.834 20 0 GCADMM Cc1cccc2c1O[C@H](C(=O)N[C@H]1C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C1)C2 ZINC001571309748 946453341 /nfs/dbraw/zinc/45/33/41/946453341.db2.gz JJJQOLNKYLBVBX-IHRRRGAJSA-N -1 1 392.423 0.450 20 0 GCADMM COc1cccc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001571309759 946453923 /nfs/dbraw/zinc/45/39/23/946453923.db2.gz JUUKGIBWNGANRP-FOLVSLTJSA-N -1 1 392.423 0.838 20 0 GCADMM COc1cccc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571309759 946453929 /nfs/dbraw/zinc/45/39/29/946453929.db2.gz JUUKGIBWNGANRP-FOLVSLTJSA-N -1 1 392.423 0.838 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC001573508304 946454221 /nfs/dbraw/zinc/45/42/21/946454221.db2.gz ZFDPJFOYPVWGSX-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC001573508304 946454229 /nfs/dbraw/zinc/45/42/29/946454229.db2.gz ZFDPJFOYPVWGSX-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)cc1 ZINC001571309844 946455673 /nfs/dbraw/zinc/45/56/73/946455673.db2.gz MIXVPLGUXJSGCN-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)cc1 ZINC001571309844 946455683 /nfs/dbraw/zinc/45/56/83/946455683.db2.gz MIXVPLGUXJSGCN-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCOc2ccccc21 ZINC001571310017 946459249 /nfs/dbraw/zinc/45/92/49/946459249.db2.gz SAXSBEWDOGWTRI-GXTWGEPZSA-N -1 1 392.423 0.918 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCOc2ccccc21 ZINC001571310017 946459256 /nfs/dbraw/zinc/45/92/56/946459256.db2.gz SAXSBEWDOGWTRI-GXTWGEPZSA-N -1 1 392.423 0.918 20 0 GCADMM CC(=O)NCC(=O)N1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573509179 946459698 /nfs/dbraw/zinc/45/96/98/946459698.db2.gz FQWVVJKVZCWXKT-UHFFFAOYSA-N -1 1 384.853 0.151 20 0 GCADMM CC(=O)NCC(=O)N1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573509179 946459705 /nfs/dbraw/zinc/45/97/05/946459705.db2.gz FQWVVJKVZCWXKT-UHFFFAOYSA-N -1 1 384.853 0.151 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)cc1 ZINC001571310189 946463885 /nfs/dbraw/zinc/46/38/85/946463885.db2.gz XSZMQIVEYLJJTK-ZBFHGGJFSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)cc1 ZINC001571310189 946463891 /nfs/dbraw/zinc/46/38/91/946463891.db2.gz XSZMQIVEYLJJTK-ZBFHGGJFSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)cc1 ZINC001571310186 946464578 /nfs/dbraw/zinc/46/45/78/946464578.db2.gz XSZMQIVEYLJJTK-GDBMZVCRSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)cc1 ZINC001571310186 946464581 /nfs/dbraw/zinc/46/45/81/946464581.db2.gz XSZMQIVEYLJJTK-GDBMZVCRSA-N -1 1 392.423 0.669 20 0 GCADMM Cc1nsc(N2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571310520 946473810 /nfs/dbraw/zinc/47/38/10/946473810.db2.gz IOVDVGWELGZRDX-NXEZZACHSA-N -1 1 392.445 0.215 20 0 GCADMM Cc1nsc(NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c1-c1nnn[n-]1 ZINC001571310634 946477955 /nfs/dbraw/zinc/47/79/55/946477955.db2.gz LGURNALQDSDPFO-SECBINFHSA-N -1 1 392.445 0.127 20 0 GCADMM Cc1nsc(NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c1-c1nn[n-]n1 ZINC001571310634 946477963 /nfs/dbraw/zinc/47/79/63/946477963.db2.gz LGURNALQDSDPFO-SECBINFHSA-N -1 1 392.445 0.127 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573510668 946479688 /nfs/dbraw/zinc/47/96/88/946479688.db2.gz JDRHNLVGXSNCCV-MRVPVSSYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)CC(C)C ZINC001573510837 946481887 /nfs/dbraw/zinc/48/18/87/946481887.db2.gz LIQJTOFCKAIVMP-GFCCVEGCSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)CC(C)C ZINC001573510837 946481893 /nfs/dbraw/zinc/48/18/93/946481893.db2.gz LIQJTOFCKAIVMP-GFCCVEGCSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)CC(C)C ZINC001573510839 946482058 /nfs/dbraw/zinc/48/20/58/946482058.db2.gz LIQJTOFCKAIVMP-LBPRGKRZSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)CC(C)C ZINC001573510839 946482061 /nfs/dbraw/zinc/48/20/61/946482061.db2.gz LIQJTOFCKAIVMP-LBPRGKRZSA-N -1 1 375.437 0.044 20 0 GCADMM Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571311045 946482913 /nfs/dbraw/zinc/48/29/13/946482913.db2.gz QPFLPBXHYNOBBW-RKDXNWHRSA-N -1 1 392.445 0.389 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC[C@H]1C ZINC001573511563 946487047 /nfs/dbraw/zinc/48/70/47/946487047.db2.gz BOJQUTIQQOGWGE-DIFFPNOSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC[C@H]1C ZINC001573511563 946487052 /nfs/dbraw/zinc/48/70/52/946487052.db2.gz BOJQUTIQQOGWGE-DIFFPNOSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573511577 946487175 /nfs/dbraw/zinc/48/71/75/946487175.db2.gz BRIGMSLIENLPHM-OLZOCXBDSA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573511577 946487178 /nfs/dbraw/zinc/48/71/78/946487178.db2.gz BRIGMSLIENLPHM-OLZOCXBDSA-N -1 1 387.448 0.188 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1c[nH]nc1C1CC1 ZINC001571312377 946490223 /nfs/dbraw/zinc/49/02/23/946490223.db2.gz AZWYZZPTPPZAIR-OSMZGAPFSA-N -1 1 392.427 0.797 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1c[nH]nc1C1CC1 ZINC001571312377 946490226 /nfs/dbraw/zinc/49/02/26/946490226.db2.gz AZWYZZPTPPZAIR-OSMZGAPFSA-N -1 1 392.427 0.797 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571312412 946491987 /nfs/dbraw/zinc/49/19/87/946491987.db2.gz CFSLPCJFUUUZNP-CHWSQXEVSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCOc2ccccc21 ZINC001571312389 946492322 /nfs/dbraw/zinc/49/23/22/946492322.db2.gz BMFJNIBBEFQBDH-JSGCOSHPSA-N -1 1 392.423 0.918 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571312472 946493766 /nfs/dbraw/zinc/49/37/66/946493766.db2.gz FDLPSNXNQYWJCQ-CABCVRRESA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571312472 946493770 /nfs/dbraw/zinc/49/37/70/946493770.db2.gz FDLPSNXNQYWJCQ-CABCVRRESA-N -1 1 392.427 0.639 20 0 GCADMM O=C(c1ccncn1)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C1 ZINC001571312535 946494563 /nfs/dbraw/zinc/49/45/63/946494563.db2.gz HBEFUKANGIEKJW-RWMBFGLXSA-N -1 1 392.427 0.800 20 0 GCADMM O=C(c1ccncn1)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C1 ZINC001571312535 946494569 /nfs/dbraw/zinc/49/45/69/946494569.db2.gz HBEFUKANGIEKJW-RWMBFGLXSA-N -1 1 392.427 0.800 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)cn1 ZINC001571312567 946495338 /nfs/dbraw/zinc/49/53/38/946495338.db2.gz HPDUOJVIICHKBX-XQQFMLRXSA-N -1 1 392.427 0.542 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573512175 946495283 /nfs/dbraw/zinc/49/52/83/946495283.db2.gz VGOCTWWLFAUSQP-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573512175 946495290 /nfs/dbraw/zinc/49/52/90/946495290.db2.gz VGOCTWWLFAUSQP-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001571312630 946498372 /nfs/dbraw/zinc/49/83/72/946498372.db2.gz JFBKXGAWKGTHRE-IUODEOHRSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001571312630 946498379 /nfs/dbraw/zinc/49/83/79/946498379.db2.gz JFBKXGAWKGTHRE-IUODEOHRSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571312857 946503028 /nfs/dbraw/zinc/50/30/28/946503028.db2.gz LKKAQCLESAPRIR-MJHDQNEOSA-N -1 1 392.427 0.945 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571312857 946503033 /nfs/dbraw/zinc/50/30/33/946503033.db2.gz LKKAQCLESAPRIR-MJHDQNEOSA-N -1 1 392.427 0.945 20 0 GCADMM Cc1cc(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nnn[n-]2)C3)ncn1 ZINC001571312829 946504061 /nfs/dbraw/zinc/50/40/61/946504061.db2.gz LABAXBZMRJVXSQ-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1cc(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nn[n-]n2)C3)ncn1 ZINC001571312829 946504067 /nfs/dbraw/zinc/50/40/67/946504067.db2.gz LABAXBZMRJVXSQ-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2cnccn2)n1 ZINC001571312955 946507757 /nfs/dbraw/zinc/50/77/57/946507757.db2.gz MODIPSCOAYZNFH-CABCVRRESA-N -1 1 392.427 0.639 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2cnccn2)n1 ZINC001571312955 946507760 /nfs/dbraw/zinc/50/77/60/946507760.db2.gz MODIPSCOAYZNFH-CABCVRRESA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nnccc1C(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571313074 946509847 /nfs/dbraw/zinc/50/98/47/946509847.db2.gz NADWVHNQTXYPRK-KDOFPFPSSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1nnccc1C(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571313074 946509859 /nfs/dbraw/zinc/50/98/59/946509859.db2.gz NADWVHNQTXYPRK-KDOFPFPSSA-N -1 1 392.427 0.687 20 0 GCADMM O=C(c1cn[nH]c1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571313119 946512697 /nfs/dbraw/zinc/51/26/97/946512697.db2.gz OJWLDVHFGHZSCF-DEQVHRJGSA-N -1 1 392.427 0.367 20 0 GCADMM O=C(c1cn[nH]c1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571313119 946512708 /nfs/dbraw/zinc/51/27/08/946512708.db2.gz OJWLDVHFGHZSCF-DEQVHRJGSA-N -1 1 392.427 0.367 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccnc(C)n2)n1 ZINC001571313284 946518357 /nfs/dbraw/zinc/51/83/57/946518357.db2.gz PKJLSVHQSSTINO-CDMJZVDBSA-N -1 1 392.427 0.182 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccnc(C)n2)n1 ZINC001571313284 946518359 /nfs/dbraw/zinc/51/83/59/946518359.db2.gz PKJLSVHQSSTINO-CDMJZVDBSA-N -1 1 392.427 0.182 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571313357 946520582 /nfs/dbraw/zinc/52/05/82/946520582.db2.gz QELDVDCGEDQQHH-SMDDNHRTSA-N -1 1 392.427 0.608 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571313357 946520589 /nfs/dbraw/zinc/52/05/89/946520589.db2.gz QELDVDCGEDQQHH-SMDDNHRTSA-N -1 1 392.427 0.608 20 0 GCADMM Cc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571313450 946523146 /nfs/dbraw/zinc/52/31/46/946523146.db2.gz RIJPAZCQBUDOAB-YHWZYXNKSA-N -1 1 392.427 0.685 20 0 GCADMM Cc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571313450 946523157 /nfs/dbraw/zinc/52/31/57/946523157.db2.gz RIJPAZCQBUDOAB-YHWZYXNKSA-N -1 1 392.427 0.685 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC001571313571 946524705 /nfs/dbraw/zinc/52/47/05/946524705.db2.gz RYMCFDWDJGUKDD-IUODEOHRSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC001571313571 946524711 /nfs/dbraw/zinc/52/47/11/946524711.db2.gz RYMCFDWDJGUKDD-IUODEOHRSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCOc2ccccc21 ZINC001571313581 946526423 /nfs/dbraw/zinc/52/64/23/946526423.db2.gz SCEXITRODKEMTN-SCRDCRAPSA-N -1 1 392.423 0.704 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571313611 946528674 /nfs/dbraw/zinc/52/86/74/946528674.db2.gz UOBXFCFSUMHURM-OCCSQVGLSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571313611 946528681 /nfs/dbraw/zinc/52/86/81/946528681.db2.gz UOBXFCFSUMHURM-OCCSQVGLSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571313612 946528846 /nfs/dbraw/zinc/52/88/46/946528846.db2.gz UOBXFCFSUMHURM-TZMCWYRMSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571313612 946528854 /nfs/dbraw/zinc/52/88/54/946528854.db2.gz UOBXFCFSUMHURM-TZMCWYRMSA-N -1 1 392.427 0.496 20 0 GCADMM O=C(c1ccccc1)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571313692 946531004 /nfs/dbraw/zinc/53/10/04/946531004.db2.gz VMEYJNGDKQOEMW-LJQANCHMSA-N -1 1 392.423 0.778 20 0 GCADMM O=C(c1ccccc1)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571313692 946531015 /nfs/dbraw/zinc/53/10/15/946531015.db2.gz VMEYJNGDKQOEMW-LJQANCHMSA-N -1 1 392.423 0.778 20 0 GCADMM CC(=O)NC1CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823989188 946533458 /nfs/dbraw/zinc/53/34/58/946533458.db2.gz PGDXDVZWQJZYSH-UHFFFAOYSA-N -1 1 382.421 0.731 20 0 GCADMM CC(=O)NC1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823989188 946533468 /nfs/dbraw/zinc/53/34/68/946533468.db2.gz PGDXDVZWQJZYSH-UHFFFAOYSA-N -1 1 382.421 0.731 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)ncn1 ZINC001571313840 946534636 /nfs/dbraw/zinc/53/46/36/946534636.db2.gz WJGLVLQBERWRRT-OLZOCXBDSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)ncn1 ZINC001571313840 946534642 /nfs/dbraw/zinc/53/46/42/946534642.db2.gz WJGLVLQBERWRRT-OLZOCXBDSA-N -1 1 392.427 0.908 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1cc(C2CC2)n[nH]1 ZINC001571313958 946537330 /nfs/dbraw/zinc/53/73/30/946537330.db2.gz YIQKELOCVSNPPC-HCKVZZMMSA-N -1 1 392.427 0.797 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1cc(C2CC2)n[nH]1 ZINC001571313958 946537339 /nfs/dbraw/zinc/53/73/39/946537339.db2.gz YIQKELOCVSNPPC-HCKVZZMMSA-N -1 1 392.427 0.797 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001573516941 946561135 /nfs/dbraw/zinc/56/11/35/946561135.db2.gz ACEGFKVBDQBKPV-QMMMGPOBSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001573516941 946561140 /nfs/dbraw/zinc/56/11/40/946561140.db2.gz ACEGFKVBDQBKPV-QMMMGPOBSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)C ZINC001573517332 946569501 /nfs/dbraw/zinc/56/95/01/946569501.db2.gz HMPLRCOVKBVODB-MRVPVSSYSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)NCC(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CCC1 ZINC001573517898 946584760 /nfs/dbraw/zinc/58/47/60/946584760.db2.gz UHVZTBVOJZIQLQ-UHFFFAOYSA-N -1 1 384.853 0.564 20 0 GCADMM CC(=O)NCC(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CCC1 ZINC001573517898 946584767 /nfs/dbraw/zinc/58/47/67/946584767.db2.gz UHVZTBVOJZIQLQ-UHFFFAOYSA-N -1 1 384.853 0.564 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573518085 946587855 /nfs/dbraw/zinc/58/78/55/946587855.db2.gz XFLPIJCOSNYQGA-ZDUSSCGKSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573518085 946587870 /nfs/dbraw/zinc/58/78/70/946587870.db2.gz XFLPIJCOSNYQGA-ZDUSSCGKSA-N -1 1 381.400 0.062 20 0 GCADMM O=C(Cc1ccon1)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571317410 946609309 /nfs/dbraw/zinc/60/93/09/946609309.db2.gz GZABEWQZYLEGHB-MBTKJCJQSA-N -1 1 392.832 0.758 20 0 GCADMM O=C(Cc1ccon1)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571317410 946609314 /nfs/dbraw/zinc/60/93/14/946609314.db2.gz GZABEWQZYLEGHB-MBTKJCJQSA-N -1 1 392.832 0.758 20 0 GCADMM Nc1nccnc1C(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571317484 946610641 /nfs/dbraw/zinc/61/06/41/946610641.db2.gz JPDLPVUNQBPJLW-OLQVQODUSA-N -1 1 392.836 0.722 20 0 GCADMM NS(=O)(=O)C1(CNC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCC1 ZINC001571317507 946610667 /nfs/dbraw/zinc/61/06/67/946610667.db2.gz KLKJAINEXFQMCJ-UHFFFAOYSA-N -1 1 392.854 0.309 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CCN1c1cnccn1 ZINC001571317781 946621175 /nfs/dbraw/zinc/62/11/75/946621175.db2.gz VSCDVNVSMYFNDF-SNVBAGLBSA-N -1 1 392.470 0.618 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573522408 946624941 /nfs/dbraw/zinc/62/49/41/946624941.db2.gz FGEFVCYSUVDSNE-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573522408 946624945 /nfs/dbraw/zinc/62/49/45/946624945.db2.gz FGEFVCYSUVDSNE-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573522432 946624955 /nfs/dbraw/zinc/62/49/55/946624955.db2.gz FSAQUKVPIPXBFO-GHMZBOCLSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573522432 946624959 /nfs/dbraw/zinc/62/49/59/946624959.db2.gz FSAQUKVPIPXBFO-GHMZBOCLSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522398 946625598 /nfs/dbraw/zinc/62/55/98/946625598.db2.gz 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CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573523580 946636136 /nfs/dbraw/zinc/63/61/36/946636136.db2.gz RZMIRQJXBGEUOI-UHFFFAOYSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573523580 946636138 /nfs/dbraw/zinc/63/61/38/946636138.db2.gz RZMIRQJXBGEUOI-UHFFFAOYSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573523827 946639565 /nfs/dbraw/zinc/63/95/65/946639565.db2.gz XFPNDGDKDABIFO-MFKMUULPSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573523827 946639571 /nfs/dbraw/zinc/63/95/71/946639571.db2.gz XFPNDGDKDABIFO-MFKMUULPSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573527971 946652269 /nfs/dbraw/zinc/65/22/69/946652269.db2.gz NRTSLALRMJXCSB-TXEJJXNPSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573527971 946652275 /nfs/dbraw/zinc/65/22/75/946652275.db2.gz NRTSLALRMJXCSB-TXEJJXNPSA-N -1 1 387.448 0.126 20 0 GCADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000325941756 971256295 /nfs/dbraw/zinc/25/62/95/971256295.db2.gz YJURTLFJXFWFEE-UHFFFAOYSA-N -1 1 375.472 0.149 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573528064 946655258 /nfs/dbraw/zinc/65/52/58/946655258.db2.gz RZOIDMBCPLEIOK-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573528064 946655262 /nfs/dbraw/zinc/65/52/62/946655262.db2.gz RZOIDMBCPLEIOK-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCCN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC001573528508 946662522 /nfs/dbraw/zinc/66/25/22/946662522.db2.gz CQLOXMGDWAVNSR-JTQLQIEISA-N -1 1 392.416 0.768 20 0 GCADMM CC(=O)NCCN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC001573528508 946662532 /nfs/dbraw/zinc/66/25/32/946662532.db2.gz CQLOXMGDWAVNSR-JTQLQIEISA-N -1 1 392.416 0.768 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)C ZINC001573535254 946718867 /nfs/dbraw/zinc/71/88/67/946718867.db2.gz AAVJOTRDLALPFH-CQSZACIVSA-N -1 1 377.474 0.389 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573535952 946726581 /nfs/dbraw/zinc/72/65/81/946726581.db2.gz LSUZZVWVXKMUKK-LALPHHSUSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573535952 946726594 /nfs/dbraw/zinc/72/65/94/946726594.db2.gz LSUZZVWVXKMUKK-LALPHHSUSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573535999 946728410 /nfs/dbraw/zinc/72/84/10/946728410.db2.gz NJZDRPFZRHPBHB-LALPHHSUSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573535999 946728415 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CODJLHSMKSOXDK-FZMZJTMJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573537476 946750452 /nfs/dbraw/zinc/75/04/52/946750452.db2.gz CODJLHSMKSOXDK-FZMZJTMJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573537601 946752818 /nfs/dbraw/zinc/75/28/18/946752818.db2.gz GJBOWLMLAPXLDF-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573537601 946752822 /nfs/dbraw/zinc/75/28/22/946752822.db2.gz GJBOWLMLAPXLDF-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000824507346 946754019 /nfs/dbraw/zinc/75/40/19/946754019.db2.gz WQJIJQYZANQJHN-QWRGUYRKSA-N -1 1 391.436 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573537659 946755396 /nfs/dbraw/zinc/75/53/96/946755396.db2.gz ILBBYMRUBXBKPN-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 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CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573538087 946762580 /nfs/dbraw/zinc/76/25/80/946762580.db2.gz WFGGXQVUFZOLOC-IINYFYTJSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573538087 946762586 /nfs/dbraw/zinc/76/25/86/946762586.db2.gz WFGGXQVUFZOLOC-IINYFYTJSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573538246 946765524 /nfs/dbraw/zinc/76/55/24/946765524.db2.gz QWLHNEQZNPMPQU-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573538246 946765535 /nfs/dbraw/zinc/76/55/35/946765535.db2.gz QWLHNEQZNPMPQU-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001573538445 946768667 /nfs/dbraw/zinc/76/86/67/946768667.db2.gz TVVMZIZFMAROJT-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM 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CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573548981 946860942 /nfs/dbraw/zinc/86/09/42/946860942.db2.gz ZOWSVSJOXAVRAS-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573548981 946860952 /nfs/dbraw/zinc/86/09/52/946860952.db2.gz ZOWSVSJOXAVRAS-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1nc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001573548951 946861542 /nfs/dbraw/zinc/86/15/42/946861542.db2.gz YARTXNZYOQSWSM-SSDOTTSWSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001573548951 946861549 /nfs/dbraw/zinc/86/15/49/946861549.db2.gz YARTXNZYOQSWSM-SSDOTTSWSA-N -1 1 388.417 0.302 20 0 GCADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NCCN1CCN(C)CC1 ZINC000326627468 971310852 /nfs/dbraw/zinc/31/08/52/971310852.db2.gz QXDFGOKENBJSKN-UHFFFAOYSA-N -1 1 391.877 0.573 20 0 GCADMM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825067784 947064377 /nfs/dbraw/zinc/06/43/77/947064377.db2.gz MYBMDXLIOPQPFX-LDYMZIIASA-N -1 1 379.446 0.522 20 0 GCADMM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825067784 947064388 /nfs/dbraw/zinc/06/43/88/947064388.db2.gz MYBMDXLIOPQPFX-LDYMZIIASA-N -1 1 379.446 0.522 20 0 GCADMM CCCN(C)C(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825300804 947145986 /nfs/dbraw/zinc/14/59/86/947145986.db2.gz DWNBMYFDSXRRBY-LLVKDONJSA-N -1 1 379.446 0.476 20 0 GCADMM CCCN(C)C(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825300804 947145992 /nfs/dbraw/zinc/14/59/92/947145992.db2.gz DWNBMYFDSXRRBY-LLVKDONJSA-N -1 1 379.446 0.476 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000825564794 947221204 /nfs/dbraw/zinc/22/12/04/947221204.db2.gz FTKWHLBRWZHXMS-UHFFFAOYSA-N -1 1 381.396 0.825 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N2CC(=O)Nc3ccccc32)c1-c1nn[n-]n1 ZINC000825565264 947226068 /nfs/dbraw/zinc/22/60/68/947226068.db2.gz PMCLMWOBSVXNNM-UHFFFAOYSA-N -1 1 396.367 0.225 20 0 GCADMM CCOC(=O)c1cnn(CCNC(=O)OCC(F)(F)F)c1-c1nn[n-]n1 ZINC000825570734 947230112 /nfs/dbraw/zinc/23/01/12/947230112.db2.gz ODHCITUIHYHQTH-UHFFFAOYSA-N -1 1 377.283 0.528 20 0 GCADMM CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000825679782 947285259 /nfs/dbraw/zinc/28/52/59/947285259.db2.gz GAUGLFDUFIPSJY-LLVKDONJSA-N -1 1 397.395 0.880 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573591412 947309579 /nfs/dbraw/zinc/30/95/79/947309579.db2.gz BMMOHNKYOFBBRI-WFASDCNBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573591412 947309588 /nfs/dbraw/zinc/30/95/88/947309588.db2.gz BMMOHNKYOFBBRI-WFASDCNBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573591562 947315811 /nfs/dbraw/zinc/31/58/11/947315811.db2.gz CVKCDQYEHMCBDT-NSHDSACASA-N -1 1 385.436 0.406 20 0 GCADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573591562 947315827 /nfs/dbraw/zinc/31/58/27/947315827.db2.gz CVKCDQYEHMCBDT-NSHDSACASA-N -1 1 385.436 0.406 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573591751 947318781 /nfs/dbraw/zinc/31/87/81/947318781.db2.gz FFJVXFOTVSTMSU-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573591751 947318795 /nfs/dbraw/zinc/31/87/95/947318795.db2.gz FFJVXFOTVSTMSU-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573591855 947322455 /nfs/dbraw/zinc/32/24/55/947322455.db2.gz GTQGHWHLODLNRB-JSGCOSHPSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573591856 947323744 /nfs/dbraw/zinc/32/37/44/947323744.db2.gz GTQGHWHLODLNRB-OCCSQVGLSA-N -1 1 388.476 0.739 20 0 GCADMM C=C/C(C)=C/CC(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@@H]1O ZINC001573319122 947324006 /nfs/dbraw/zinc/32/40/06/947324006.db2.gz USNQWNNKFINJAQ-BLOBHPOZSA-N -1 1 384.444 0.407 20 0 GCADMM C=C/C(C)=C/CC(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@@H]1O ZINC001573319122 947324018 /nfs/dbraw/zinc/32/40/18/947324018.db2.gz USNQWNNKFINJAQ-BLOBHPOZSA-N -1 1 384.444 0.407 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573592012 947327950 /nfs/dbraw/zinc/32/79/50/947327950.db2.gz HXFVYEBJYTYUJR-RYUDHWBXSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573592012 947327966 /nfs/dbraw/zinc/32/79/66/947327966.db2.gz HXFVYEBJYTYUJR-RYUDHWBXSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573592302 947331974 /nfs/dbraw/zinc/33/19/74/947331974.db2.gz IYPDRSYVIRLHBM-QWHCGFSZSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573592343 947336871 /nfs/dbraw/zinc/33/68/71/947336871.db2.gz JMCJLUVBEXVNPL-DTWKUNHWSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573592343 947336884 /nfs/dbraw/zinc/33/68/84/947336884.db2.gz JMCJLUVBEXVNPL-DTWKUNHWSA-N -1 1 388.354 0.111 20 0 GCADMM CCn1ccnc1CN1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825805022 947337423 /nfs/dbraw/zinc/33/74/23/947337423.db2.gz OMUVDKUZDKHAKJ-UHFFFAOYSA-N -1 1 385.432 0.266 20 0 GCADMM CCn1ccnc1CN1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825805022 947337436 /nfs/dbraw/zinc/33/74/36/947337436.db2.gz OMUVDKUZDKHAKJ-UHFFFAOYSA-N -1 1 385.432 0.266 20 0 GCADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001573592588 947341542 /nfs/dbraw/zinc/34/15/42/947341542.db2.gz KWBHGMJKXQJNLV-LLVKDONJSA-N -1 1 385.436 0.406 20 0 GCADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001573592588 947341553 /nfs/dbraw/zinc/34/15/53/947341553.db2.gz KWBHGMJKXQJNLV-LLVKDONJSA-N -1 1 385.436 0.406 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573592635 947341992 /nfs/dbraw/zinc/34/19/92/947341992.db2.gz LJIRYEYOANJQSL-TZMCWYRMSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573592635 947342003 /nfs/dbraw/zinc/34/20/03/947342003.db2.gz LJIRYEYOANJQSL-TZMCWYRMSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573592884 947351856 /nfs/dbraw/zinc/35/18/56/947351856.db2.gz ODPAXSJYEGYLPF-NXEZZACHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573592884 947351869 /nfs/dbraw/zinc/35/18/69/947351869.db2.gz ODPAXSJYEGYLPF-NXEZZACHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573592889 947354788 /nfs/dbraw/zinc/35/47/88/947354788.db2.gz ODPAXSJYEGYLPF-ZJUUUORDSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573592889 947354801 /nfs/dbraw/zinc/35/48/01/947354801.db2.gz ODPAXSJYEGYLPF-ZJUUUORDSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592971 947358118 /nfs/dbraw/zinc/35/81/18/947358118.db2.gz OUBFRZVDMFIULZ-VXGBXAGGSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592971 947358130 /nfs/dbraw/zinc/35/81/30/947358130.db2.gz OUBFRZVDMFIULZ-VXGBXAGGSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573593314 947368984 /nfs/dbraw/zinc/36/89/84/947368984.db2.gz JTPFVJYAABHULX-WCQYABFASA-N -1 1 382.432 0.185 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573593512 947371253 /nfs/dbraw/zinc/37/12/53/947371253.db2.gz UINLEIPBASBGFN-RYUDHWBXSA-N -1 1 376.465 0.594 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COc1ccc(C=O)cc1 ZINC000825930656 947375402 /nfs/dbraw/zinc/37/54/02/947375402.db2.gz VUKMNDYVTNGFQU-UHFFFAOYSA-N -1 1 384.400 0.455 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COc1ccc(C=O)cc1 ZINC000825930656 947375407 /nfs/dbraw/zinc/37/54/07/947375407.db2.gz VUKMNDYVTNGFQU-UHFFFAOYSA-N -1 1 384.400 0.455 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1csc2nccn12 ZINC000825929582 947375947 /nfs/dbraw/zinc/37/59/47/947375947.db2.gz JCHDZUVYTYHVEL-UHFFFAOYSA-N -1 1 386.445 0.515 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1csc2nccn12 ZINC000825929582 947375959 /nfs/dbraw/zinc/37/59/59/947375959.db2.gz JCHDZUVYTYHVEL-UHFFFAOYSA-N -1 1 386.445 0.515 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000825934761 947378560 /nfs/dbraw/zinc/37/85/60/947378560.db2.gz RVBUWVBZFRBUTJ-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000825934761 947378573 /nfs/dbraw/zinc/37/85/73/947378573.db2.gz RVBUWVBZFRBUTJ-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573593987 947383500 /nfs/dbraw/zinc/38/35/00/947383500.db2.gz WMDLMIOKBTXYSC-NWDGAFQWSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573593987 947383514 /nfs/dbraw/zinc/38/35/14/947383514.db2.gz WMDLMIOKBTXYSC-NWDGAFQWSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cncn1 ZINC001573594223 947389119 /nfs/dbraw/zinc/38/91/19/947389119.db2.gz PACOTTZXTKGFIK-MFKMUULPSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573594223 947389127 /nfs/dbraw/zinc/38/91/27/947389127.db2.gz PACOTTZXTKGFIK-MFKMUULPSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573594381 947391195 /nfs/dbraw/zinc/39/11/95/947391195.db2.gz YMIJITJYIKALFF-IUODEOHRSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573594381 947391206 /nfs/dbraw/zinc/39/12/06/947391206.db2.gz YMIJITJYIKALFF-IUODEOHRSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573594448 947396586 /nfs/dbraw/zinc/39/65/86/947396586.db2.gz AZWAVGHVIQYIEW-QWRGUYRKSA-N -1 1 388.457 0.175 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573594573 947400948 /nfs/dbraw/zinc/40/09/48/947400948.db2.gz QRVCGUOBZWGRRI-GXFFZTMASA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573594573 947400958 /nfs/dbraw/zinc/40/09/58/947400958.db2.gz QRVCGUOBZWGRRI-GXFFZTMASA-N -1 1 383.420 0.158 20 0 GCADMM CN1CCC[C@H](N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1=O ZINC000826029540 947409199 /nfs/dbraw/zinc/40/91/99/947409199.db2.gz SVVGNPNUNOZAAD-LBPRGKRZSA-N -1 1 398.427 0.858 20 0 GCADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573598433 947441859 /nfs/dbraw/zinc/44/18/59/947441859.db2.gz QWMUGTHTEGJTDA-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573598433 947441866 /nfs/dbraw/zinc/44/18/66/947441866.db2.gz QWMUGTHTEGJTDA-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](C(=O)N(C)CCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573602687 947471472 /nfs/dbraw/zinc/47/14/72/947471472.db2.gz GYFRJMLLIXKIDW-ZDUSSCGKSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)N(C)CC(F)(F)F ZINC001573604457 947509579 /nfs/dbraw/zinc/50/95/79/947509579.db2.gz NSPADUZOPPQLDO-SECBINFHSA-N -1 1 387.370 0.410 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)N(C)CC(F)(F)F ZINC001573604457 947509586 /nfs/dbraw/zinc/50/95/86/947509586.db2.gz NSPADUZOPPQLDO-SECBINFHSA-N -1 1 387.370 0.410 20 0 GCADMM COCCn1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)n1 ZINC000826163977 947515567 /nfs/dbraw/zinc/51/55/67/947515567.db2.gz TYCHIBRWXAWSOH-UHFFFAOYSA-N -1 1 388.436 0.028 20 0 GCADMM COCCn1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)n1 ZINC000826163977 947515574 /nfs/dbraw/zinc/51/55/74/947515574.db2.gz TYCHIBRWXAWSOH-UHFFFAOYSA-N -1 1 388.436 0.028 20 0 GCADMM COc1cc(OC)cc([C@H](O)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826181287 947561437 /nfs/dbraw/zinc/56/14/37/947561437.db2.gz STIGESUAWCSJAF-CQSZACIVSA-N -1 1 388.384 0.573 20 0 GCADMM COc1cc(OC)cc([C@H](O)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826181287 947561443 /nfs/dbraw/zinc/56/14/43/947561443.db2.gz STIGESUAWCSJAF-CQSZACIVSA-N -1 1 388.384 0.573 20 0 GCADMM COc1cc(OC)cc([C@@H](O)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826181286 947562296 /nfs/dbraw/zinc/56/22/96/947562296.db2.gz STIGESUAWCSJAF-AWEZNQCLSA-N -1 1 388.384 0.573 20 0 GCADMM COc1cc(OC)cc([C@@H](O)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826181286 947562300 /nfs/dbraw/zinc/56/23/00/947562300.db2.gz STIGESUAWCSJAF-AWEZNQCLSA-N -1 1 388.384 0.573 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)n1cncn1 ZINC001573613565 947565362 /nfs/dbraw/zinc/56/53/62/947565362.db2.gz COMDYLIWQNQHSC-JQWIXIFHSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cncn1 ZINC001573613565 947565368 /nfs/dbraw/zinc/56/53/68/947565368.db2.gz COMDYLIWQNQHSC-JQWIXIFHSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573613882 947573530 /nfs/dbraw/zinc/57/35/30/947573530.db2.gz BBZLOKVYLIKPDM-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573613882 947573536 /nfs/dbraw/zinc/57/35/36/947573536.db2.gz BBZLOKVYLIKPDM-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573614516 947588046 /nfs/dbraw/zinc/58/80/46/947588046.db2.gz MPUNSUJEBJWSEO-SJKOYZFVSA-N -1 1 382.432 0.187 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573614625 947588131 /nfs/dbraw/zinc/58/81/31/947588131.db2.gz NRJHVZJIRYIDRF-YVEFUNNKSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573614625 947588141 /nfs/dbraw/zinc/58/81/41/947588141.db2.gz NRJHVZJIRYIDRF-YVEFUNNKSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573615282 947604331 /nfs/dbraw/zinc/60/43/31/947604331.db2.gz CXYZXDZJFDDKSG-WFASDCNBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573615282 947604337 /nfs/dbraw/zinc/60/43/37/947604337.db2.gz CXYZXDZJFDDKSG-WFASDCNBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573615677 947609156 /nfs/dbraw/zinc/60/91/56/947609156.db2.gz JRIHPNRSXLWFPG-QWHCGFSZSA-N -1 1 379.428 0.538 20 0 GCADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1-n1nnnc1C ZINC000826209721 947610279 /nfs/dbraw/zinc/61/02/79/947610279.db2.gz NRVOPECRPJVLAX-UHFFFAOYSA-N -1 1 396.371 0.637 20 0 GCADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1-n1nnnc1C ZINC000826209721 947610283 /nfs/dbraw/zinc/61/02/83/947610283.db2.gz NRVOPECRPJVLAX-UHFFFAOYSA-N -1 1 396.371 0.637 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573615936 947613850 /nfs/dbraw/zinc/61/38/50/947613850.db2.gz LEYAVFKNVMEGRM-OLZOCXBDSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573615936 947613860 /nfs/dbraw/zinc/61/38/60/947613860.db2.gz LEYAVFKNVMEGRM-OLZOCXBDSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573616230 947619296 /nfs/dbraw/zinc/61/92/96/947619296.db2.gz MDNNTEZGHJXDRW-ZBEGNZNMSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573616230 947619304 /nfs/dbraw/zinc/61/93/04/947619304.db2.gz MDNNTEZGHJXDRW-ZBEGNZNMSA-N -1 1 383.420 0.160 20 0 GCADMM COc1cccc(N2C[C@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2=O)c1 ZINC000826216590 947635223 /nfs/dbraw/zinc/63/52/23/947635223.db2.gz GBSOJQHAEVYKTD-LLVKDONJSA-N -1 1 397.395 0.636 20 0 GCADMM COc1cccc(N2C[C@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2=O)c1 ZINC000826216590 947635229 /nfs/dbraw/zinc/63/52/29/947635229.db2.gz GBSOJQHAEVYKTD-LLVKDONJSA-N -1 1 397.395 0.636 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573617921 947644031 /nfs/dbraw/zinc/64/40/31/947644031.db2.gz QQVSLOFYTOFGRH-ZBEGNZNMSA-N -1 1 383.420 0.160 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001573355465 947644023 /nfs/dbraw/zinc/64/40/23/947644023.db2.gz PMMLJQLPCOLFLH-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573617921 947644035 /nfs/dbraw/zinc/64/40/35/947644035.db2.gz QQVSLOFYTOFGRH-ZBEGNZNMSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573617982 947645574 /nfs/dbraw/zinc/64/55/74/947645574.db2.gz OBNZIYNNMNIWMO-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573619438 947665114 /nfs/dbraw/zinc/66/51/14/947665114.db2.gz WFZRQVYHGNOODV-QWHCGFSZSA-N -1 1 382.432 0.187 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573619356 947665358 /nfs/dbraw/zinc/66/53/58/947665358.db2.gz VOYHHTSQRHOMRN-CHWSQXEVSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573619356 947665365 /nfs/dbraw/zinc/66/53/65/947665365.db2.gz VOYHHTSQRHOMRN-CHWSQXEVSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573619620 947667098 /nfs/dbraw/zinc/66/70/98/947667098.db2.gz WFCOSDAYNYHLNW-VXGBXAGGSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573619620 947667102 /nfs/dbraw/zinc/66/71/02/947667102.db2.gz WFCOSDAYNYHLNW-VXGBXAGGSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573619906 947674499 /nfs/dbraw/zinc/67/44/99/947674499.db2.gz XMEXLODXYJRIBI-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573619906 947674503 /nfs/dbraw/zinc/67/45/03/947674503.db2.gz XMEXLODXYJRIBI-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573627905 947736391 /nfs/dbraw/zinc/73/63/91/947736391.db2.gz HEKWXQGGEBIFFS-AAEUAGOBSA-N -1 1 382.432 0.019 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573628136 947745944 /nfs/dbraw/zinc/74/59/44/947745944.db2.gz FNNKHRFSIAMYGI-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573628136 947745955 /nfs/dbraw/zinc/74/59/55/947745955.db2.gz FNNKHRFSIAMYGI-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573628280 947751089 /nfs/dbraw/zinc/75/10/89/947751089.db2.gz KEDSXXZDCZCUDA-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573628280 947751094 /nfs/dbraw/zinc/75/10/94/947751094.db2.gz KEDSXXZDCZCUDA-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628971 947769368 /nfs/dbraw/zinc/76/93/68/947769368.db2.gz PQXDAGBPFFCOII-NWDGAFQWSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628971 947769378 /nfs/dbraw/zinc/76/93/78/947769378.db2.gz PQXDAGBPFFCOII-NWDGAFQWSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573629258 947776133 /nfs/dbraw/zinc/77/61/33/947776133.db2.gz NAWDCTXIWIWBEW-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573629258 947776139 /nfs/dbraw/zinc/77/61/39/947776139.db2.gz NAWDCTXIWIWBEW-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM Cc1cc(N2CCC[C@@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000826269435 947777335 /nfs/dbraw/zinc/77/73/35/947777335.db2.gz MBWJOCSARUKSQD-LLVKDONJSA-N -1 1 399.415 0.059 20 0 GCADMM Cc1cc(N2CCC[C@@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000826269435 947777341 /nfs/dbraw/zinc/77/73/41/947777341.db2.gz MBWJOCSARUKSQD-LLVKDONJSA-N -1 1 399.415 0.059 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573629336 947777647 /nfs/dbraw/zinc/77/76/47/947777647.db2.gz SCVPQUMHJHEOPX-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573629336 947777651 /nfs/dbraw/zinc/77/76/51/947777651.db2.gz SCVPQUMHJHEOPX-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573629351 947777723 /nfs/dbraw/zinc/77/77/23/947777723.db2.gz SCVPQUMHJHEOPX-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573629351 947777728 /nfs/dbraw/zinc/77/77/28/947777728.db2.gz SCVPQUMHJHEOPX-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573629664 947781925 /nfs/dbraw/zinc/78/19/25/947781925.db2.gz OWNNCOQGJGUOOQ-TZMCWYRMSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573629664 947781932 /nfs/dbraw/zinc/78/19/32/947781932.db2.gz OWNNCOQGJGUOOQ-TZMCWYRMSA-N -1 1 386.460 0.493 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573372946 947786431 /nfs/dbraw/zinc/78/64/31/947786431.db2.gz GEZICKPQBZTDMG-CQSZACIVSA-N -1 1 386.460 0.879 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573373152 947790938 /nfs/dbraw/zinc/79/09/38/947790938.db2.gz BCEMODXKZMZUGR-ZDUSSCGKSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573630741 947794277 /nfs/dbraw/zinc/79/42/77/947794277.db2.gz RWINQPHURJENLD-AAEUAGOBSA-N -1 1 382.432 0.019 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573630686 947795939 /nfs/dbraw/zinc/79/59/39/947795939.db2.gz RQBWAKIFKMDIAF-GXTWGEPZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573631184 947799511 /nfs/dbraw/zinc/79/95/11/947799511.db2.gz UFJPIHIYORDOML-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573631184 947799523 /nfs/dbraw/zinc/79/95/23/947799523.db2.gz UFJPIHIYORDOML-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573375032 947813567 /nfs/dbraw/zinc/81/35/67/947813567.db2.gz QJHUSIMIGLAIMS-KGLIPLIRSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573375032 947813575 /nfs/dbraw/zinc/81/35/75/947813575.db2.gz QJHUSIMIGLAIMS-KGLIPLIRSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cccnc1 ZINC001573637692 947822859 /nfs/dbraw/zinc/82/28/59/947822859.db2.gz NIYCHOFCFNOGJR-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cccnc1 ZINC001573637692 947822867 /nfs/dbraw/zinc/82/28/67/947822867.db2.gz NIYCHOFCFNOGJR-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573375645 947822938 /nfs/dbraw/zinc/82/29/38/947822938.db2.gz PSPIBRINXJMDJE-ZDUSSCGKSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573375645 947822947 /nfs/dbraw/zinc/82/29/47/947822947.db2.gz PSPIBRINXJMDJE-ZDUSSCGKSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573375953 947827358 /nfs/dbraw/zinc/82/73/58/947827358.db2.gz UXTMMTFKOLUYGY-ZFWWWQNUSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573375953 947827369 /nfs/dbraw/zinc/82/73/69/947827369.db2.gz UXTMMTFKOLUYGY-ZFWWWQNUSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573375944 947827809 /nfs/dbraw/zinc/82/78/09/947827809.db2.gz UXTMMTFKOLUYGY-HIFRSBDPSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573375944 947827812 /nfs/dbraw/zinc/82/78/12/947827812.db2.gz UXTMMTFKOLUYGY-HIFRSBDPSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376088 947828504 /nfs/dbraw/zinc/82/85/04/947828504.db2.gz WILPSTLCESOOHW-ZIAGYGMSSA-N -1 1 386.460 0.877 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573637938 947828520 /nfs/dbraw/zinc/82/85/20/947828520.db2.gz WNXVFCAVOJZWNI-RYUDHWBXSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573637938 947828523 /nfs/dbraw/zinc/82/85/23/947828523.db2.gz WNXVFCAVOJZWNI-RYUDHWBXSA-N -1 1 383.420 0.302 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573376074 947829588 /nfs/dbraw/zinc/82/95/88/947829588.db2.gz VZSNEKFIKSRYBG-KGLIPLIRSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573376074 947829597 /nfs/dbraw/zinc/82/95/97/947829597.db2.gz VZSNEKFIKSRYBG-KGLIPLIRSA-N -1 1 384.444 0.843 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573638019 947831495 /nfs/dbraw/zinc/83/14/95/947831495.db2.gz YVAJBNSHLWQAAE-QWRGUYRKSA-N -1 1 376.421 0.742 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573376321 947834801 /nfs/dbraw/zinc/83/48/01/947834801.db2.gz YNZRXEFJGWUEBQ-GOSISDBHSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573376321 947834805 /nfs/dbraw/zinc/83/48/05/947834805.db2.gz YNZRXEFJGWUEBQ-GOSISDBHSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573376417 947835832 /nfs/dbraw/zinc/83/58/32/947835832.db2.gz ZUGUNSDAGOSECO-KGLIPLIRSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573376417 947835837 /nfs/dbraw/zinc/83/58/37/947835837.db2.gz ZUGUNSDAGOSECO-KGLIPLIRSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573376669 947841032 /nfs/dbraw/zinc/84/10/32/947841032.db2.gz AUUYPDVEHPSTHC-ZDUSSCGKSA-N -1 1 388.432 0.445 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573376669 947841034 /nfs/dbraw/zinc/84/10/34/947841034.db2.gz AUUYPDVEHPSTHC-ZDUSSCGKSA-N -1 1 388.432 0.445 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573638827 947843927 /nfs/dbraw/zinc/84/39/27/947843927.db2.gz WPFDKIUCIAIYRB-MNOVXSKESA-N -1 1 376.421 0.600 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573377107 947845698 /nfs/dbraw/zinc/84/56/98/947845698.db2.gz IGTPCAQUMUOOCU-CHWSQXEVSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573377107 947845703 /nfs/dbraw/zinc/84/57/03/947845703.db2.gz IGTPCAQUMUOOCU-CHWSQXEVSA-N -1 1 388.432 0.444 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573639744 947847667 /nfs/dbraw/zinc/84/76/67/947847667.db2.gz CBWSXDXQDRSNDG-NXEZZACHSA-N -1 1 382.375 0.009 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001573377379 947848704 /nfs/dbraw/zinc/84/87/04/947848704.db2.gz LSZQFDKBWASUOJ-ACJLOTCBSA-N -1 1 384.444 0.701 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573377379 947848714 /nfs/dbraw/zinc/84/87/14/947848714.db2.gz LSZQFDKBWASUOJ-ACJLOTCBSA-N -1 1 384.444 0.701 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573640625 947853173 /nfs/dbraw/zinc/85/31/73/947853173.db2.gz ILCBGWMYUWAOCG-RKDXNWHRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573640625 947853178 /nfs/dbraw/zinc/85/31/78/947853178.db2.gz ILCBGWMYUWAOCG-RKDXNWHRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573641778 947859533 /nfs/dbraw/zinc/85/95/33/947859533.db2.gz NFDCGKNHKBHFGR-UWVGGRQHSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573641778 947859544 /nfs/dbraw/zinc/85/95/44/947859544.db2.gz NFDCGKNHKBHFGR-UWVGGRQHSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573642307 947861611 /nfs/dbraw/zinc/86/16/11/947861611.db2.gz PWZBQFWVXFHRHY-CHWSQXEVSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573642307 947861620 /nfs/dbraw/zinc/86/16/20/947861620.db2.gz PWZBQFWVXFHRHY-CHWSQXEVSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001573645880 947871089 /nfs/dbraw/zinc/87/10/89/947871089.db2.gz CAXYMCNTWUORKZ-SGMGOOAPSA-N -1 1 380.416 0.152 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001573645880 947871095 /nfs/dbraw/zinc/87/10/95/947871095.db2.gz CAXYMCNTWUORKZ-SGMGOOAPSA-N -1 1 380.416 0.152 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccn1 ZINC001573646243 947873562 /nfs/dbraw/zinc/87/35/62/947873562.db2.gz ISUBZZPBUVHMKK-RWMBFGLXSA-N -1 1 380.416 0.152 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647064 947881770 /nfs/dbraw/zinc/88/17/70/947881770.db2.gz BJDVGRBOUMXVEC-IGQOVBAYSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)n1cncn1 ZINC001573647134 947884462 /nfs/dbraw/zinc/88/44/62/947884462.db2.gz CWDCCBKBPFAHLH-IJLUTSLNSA-N -1 1 383.420 0.016 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)n1cncn1 ZINC001573647134 947884474 /nfs/dbraw/zinc/88/44/74/947884474.db2.gz CWDCCBKBPFAHLH-IJLUTSLNSA-N -1 1 383.420 0.016 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001573382655 947885572 /nfs/dbraw/zinc/88/55/72/947885572.db2.gz JKPCHCLBUZBZQT-CYBMUJFWSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001573382655 947885584 /nfs/dbraw/zinc/88/55/84/947885584.db2.gz JKPCHCLBUZBZQT-CYBMUJFWSA-N -1 1 388.432 0.128 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647282 947889512 /nfs/dbraw/zinc/88/95/12/947889512.db2.gz GZRYKWCYWWIXAF-CXTNEJHOSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647282 947889516 /nfs/dbraw/zinc/88/95/16/947889516.db2.gz GZRYKWCYWWIXAF-CXTNEJHOSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1ccco1 ZINC001573648188 947905350 /nfs/dbraw/zinc/90/53/50/947905350.db2.gz XRAVQPCNVBXBCF-RWMBFGLXSA-N -1 1 380.412 0.948 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)n1cncn1 ZINC001573648456 947909167 /nfs/dbraw/zinc/90/91/67/947909167.db2.gz ZXPPFJRBQDNZHK-IJLUTSLNSA-N -1 1 383.420 0.016 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)n1cncn1 ZINC001573648456 947909178 /nfs/dbraw/zinc/90/91/78/947909178.db2.gz ZXPPFJRBQDNZHK-IJLUTSLNSA-N -1 1 383.420 0.016 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573387472 947911223 /nfs/dbraw/zinc/91/12/23/947911223.db2.gz BBPONNMPQLIFDS-AWEZNQCLSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573387472 947911227 /nfs/dbraw/zinc/91/12/27/947911227.db2.gz BBPONNMPQLIFDS-AWEZNQCLSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573387642 947912374 /nfs/dbraw/zinc/91/23/74/947912374.db2.gz CUZSFAXHTUJRFL-UHFFFAOYSA-N -1 1 386.869 0.350 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573387821 947913285 /nfs/dbraw/zinc/91/32/85/947913285.db2.gz DTXUAXFEDIWBTM-GZMMTYOYSA-N -1 1 378.462 0.511 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573387826 947913756 /nfs/dbraw/zinc/91/37/56/947913756.db2.gz DTXUAXFEDIWBTM-KCJUWKMLSA-N -1 1 378.462 0.511 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573388704 947920869 /nfs/dbraw/zinc/92/08/69/947920869.db2.gz NWRUWEHYNNIPHO-SKDRFNHKSA-N -1 1 392.489 0.616 20 0 GCADMM CC(=O)N(C)CC(=O)N(CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573390211 947927928 /nfs/dbraw/zinc/92/79/28/947927928.db2.gz XHGGFSDPDJDPMS-UHFFFAOYSA-N -1 1 389.464 0.117 20 0 GCADMM CC(=O)N(C)CC(=O)N(CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573390211 947927933 /nfs/dbraw/zinc/92/79/33/947927933.db2.gz XHGGFSDPDJDPMS-UHFFFAOYSA-N -1 1 389.464 0.117 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573391442 947935569 /nfs/dbraw/zinc/93/55/69/947935569.db2.gz IITZVTOYCDAKHA-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573391442 947935574 /nfs/dbraw/zinc/93/55/74/947935574.db2.gz IITZVTOYCDAKHA-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573391424 947935655 /nfs/dbraw/zinc/93/56/55/947935655.db2.gz HQMPPJZXXNDAON-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573391424 947935661 /nfs/dbraw/zinc/93/56/61/947935661.db2.gz HQMPPJZXXNDAON-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573391423 947935705 /nfs/dbraw/zinc/93/57/05/947935705.db2.gz HQMPPJZXXNDAON-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573391423 947935711 /nfs/dbraw/zinc/93/57/11/947935711.db2.gz HQMPPJZXXNDAON-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573391751 947936250 /nfs/dbraw/zinc/93/62/50/947936250.db2.gz JDGSTCXYUXIRLS-LBPRGKRZSA-N -1 1 392.489 0.537 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573392222 947943928 /nfs/dbraw/zinc/94/39/28/947943928.db2.gz XGWNBTJZMRTVAU-NSHDSACASA-N -1 1 378.462 0.513 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573392403 947946648 /nfs/dbraw/zinc/94/66/48/947946648.db2.gz AMXOHJJFRAQLJX-SMDDNHRTSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573392403 947946656 /nfs/dbraw/zinc/94/66/56/947946656.db2.gz AMXOHJJFRAQLJX-SMDDNHRTSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573653209 947952924 /nfs/dbraw/zinc/95/29/24/947952924.db2.gz JSDOTJWUKPDACC-MGPLVRAMSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573653209 947952933 /nfs/dbraw/zinc/95/29/33/947952933.db2.gz JSDOTJWUKPDACC-MGPLVRAMSA-N -1 1 383.420 0.206 20 0 GCADMM Cc1nc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)sc1SCC(N)=O ZINC000826326760 947953015 /nfs/dbraw/zinc/95/30/15/947953015.db2.gz CRBJUPKUQMIOIR-UHFFFAOYSA-N -1 1 394.442 0.687 20 0 GCADMM Cc1nc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)sc1SCC(N)=O ZINC000826326760 947953022 /nfs/dbraw/zinc/95/30/22/947953022.db2.gz CRBJUPKUQMIOIR-UHFFFAOYSA-N -1 1 394.442 0.687 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573392879 947953198 /nfs/dbraw/zinc/95/31/98/947953198.db2.gz HJAUIZQNPNQFTP-MRVPVSSYSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573392879 947953202 /nfs/dbraw/zinc/95/32/02/947953202.db2.gz HJAUIZQNPNQFTP-MRVPVSSYSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573392844 947953268 /nfs/dbraw/zinc/95/32/68/947953268.db2.gz GJXDJJQYMWRKEF-FZMZJTMJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573392844 947953272 /nfs/dbraw/zinc/95/32/72/947953272.db2.gz GJXDJJQYMWRKEF-FZMZJTMJSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cnn(C)c1 ZINC001573653425 947957557 /nfs/dbraw/zinc/95/75/57/947957557.db2.gz LPZBYBGETFKRJN-MFKMUULPSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573653425 947957565 /nfs/dbraw/zinc/95/75/65/947957565.db2.gz LPZBYBGETFKRJN-MFKMUULPSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cncn1 ZINC001573654231 947963057 /nfs/dbraw/zinc/96/30/57/947963057.db2.gz PTRKWIYESHQCEO-QLJPJBMISA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573654231 947963064 /nfs/dbraw/zinc/96/30/64/947963064.db2.gz PTRKWIYESHQCEO-QLJPJBMISA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573394763 947966133 /nfs/dbraw/zinc/96/61/33/947966133.db2.gz VWPOGFJNIAGZEG-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573394763 947966138 /nfs/dbraw/zinc/96/61/38/947966138.db2.gz VWPOGFJNIAGZEG-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573394758 947966252 /nfs/dbraw/zinc/96/62/52/947966252.db2.gz VWPOGFJNIAGZEG-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573394758 947966266 /nfs/dbraw/zinc/96/62/66/947966266.db2.gz VWPOGFJNIAGZEG-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573395275 947967663 /nfs/dbraw/zinc/96/76/63/947967663.db2.gz YIXGKDXNGGESTL-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573395275 947967673 /nfs/dbraw/zinc/96/76/73/947967673.db2.gz YIXGKDXNGGESTL-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nn[n-]n1 ZINC001573395068 947967758 /nfs/dbraw/zinc/96/77/58/947967758.db2.gz WQURKGMUIMJQSQ-TXEJJXNPSA-N -1 1 390.473 0.290 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001573654701 947970680 /nfs/dbraw/zinc/97/06/80/947970680.db2.gz SWDCLCIBXDRFEF-GTNSWQLSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573654701 947970686 /nfs/dbraw/zinc/97/06/86/947970686.db2.gz SWDCLCIBXDRFEF-GTNSWQLSSA-N -1 1 382.432 0.811 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573395631 947971113 /nfs/dbraw/zinc/97/11/13/947971113.db2.gz ZMXYOLDJOFPOII-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573395631 947971124 /nfs/dbraw/zinc/97/11/24/947971124.db2.gz ZMXYOLDJOFPOII-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM Cc1noc([C@@H](C)N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)n1 ZINC000826338425 947973047 /nfs/dbraw/zinc/97/30/47/947973047.db2.gz VHSMZLOBCDVDID-SECBINFHSA-N -1 1 387.404 0.302 20 0 GCADMM Cc1noc([C@@H](C)N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)n1 ZINC000826338425 947973057 /nfs/dbraw/zinc/97/30/57/947973057.db2.gz VHSMZLOBCDVDID-SECBINFHSA-N -1 1 387.404 0.302 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573655403 947976961 /nfs/dbraw/zinc/97/69/61/947976961.db2.gz XEPLMPMFCOTYCW-GTNSWQLSSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001573655391 947978077 /nfs/dbraw/zinc/97/80/77/947978077.db2.gz XDPRRTIMCGLVNU-PIGZYNQJSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001573655391 947978082 /nfs/dbraw/zinc/97/80/82/947978082.db2.gz XDPRRTIMCGLVNU-PIGZYNQJSA-N -1 1 382.432 0.811 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573398504 947981549 /nfs/dbraw/zinc/98/15/49/947981549.db2.gz LYTCTXUXJVDSOX-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573398504 947981555 /nfs/dbraw/zinc/98/15/55/947981555.db2.gz LYTCTXUXJVDSOX-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cncn1 ZINC001573655795 947982381 /nfs/dbraw/zinc/98/23/81/947982381.db2.gz YXMMAKUPHMDQMZ-PWSUYJOCSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cncn1 ZINC001573655795 947982388 /nfs/dbraw/zinc/98/23/88/947982388.db2.gz YXMMAKUPHMDQMZ-PWSUYJOCSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573398550 947982550 /nfs/dbraw/zinc/98/25/50/947982550.db2.gz MRMGOQSCYZNGME-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573398550 947982557 /nfs/dbraw/zinc/98/25/57/947982557.db2.gz MRMGOQSCYZNGME-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573399228 947990484 /nfs/dbraw/zinc/99/04/84/947990484.db2.gz UERABTZKOUUCOD-UGSOOPFHSA-N -1 1 399.459 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573399228 947990488 /nfs/dbraw/zinc/99/04/88/947990488.db2.gz UERABTZKOUUCOD-UGSOOPFHSA-N -1 1 399.459 0.176 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573656472 947990667 /nfs/dbraw/zinc/99/06/67/947990667.db2.gz GRJJZTAUAPPCGA-GTNSWQLSSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573656427 947990743 /nfs/dbraw/zinc/99/07/43/947990743.db2.gz GLVSCFMYMHPYKH-KPZWWZAWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573656427 947990747 /nfs/dbraw/zinc/99/07/47/947990747.db2.gz GLVSCFMYMHPYKH-KPZWWZAWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573656854 947994661 /nfs/dbraw/zinc/99/46/61/947994661.db2.gz IUUYVZNEJBYKMD-CHWSQXEVSA-N -1 1 386.460 0.735 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1-c1nnn[n-]1 ZINC000826343781 947995245 /nfs/dbraw/zinc/99/52/45/947995245.db2.gz NHHFNENQNHEANK-UHFFFAOYSA-N -1 1 375.433 0.811 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1-c1nn[n-]n1 ZINC000826343781 947995252 /nfs/dbraw/zinc/99/52/52/947995252.db2.gz NHHFNENQNHEANK-UHFFFAOYSA-N -1 1 375.433 0.811 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573401444 947998658 /nfs/dbraw/zinc/99/86/58/947998658.db2.gz CIECROAFQSXUSW-CHWSQXEVSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573401444 947998661 /nfs/dbraw/zinc/99/86/61/947998661.db2.gz CIECROAFQSXUSW-CHWSQXEVSA-N -1 1 387.448 0.222 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826344217 948001294 /nfs/dbraw/zinc/00/12/94/948001294.db2.gz APGSCRDQSNKEOM-UHFFFAOYSA-N -1 1 395.423 0.619 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826344217 948001300 /nfs/dbraw/zinc/00/13/00/948001300.db2.gz APGSCRDQSNKEOM-UHFFFAOYSA-N -1 1 395.423 0.619 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573657388 948001432 /nfs/dbraw/zinc/00/14/32/948001432.db2.gz NKXVBFNTJONSTA-KPZWWZAWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573657388 948001446 /nfs/dbraw/zinc/00/14/46/948001446.db2.gz NKXVBFNTJONSTA-KPZWWZAWSA-N -1 1 379.428 0.940 20 0 GCADMM Cc1onc(CC(=O)N2CCN(Cc3cccc(O)c3)CC2)c1-c1nnn[n-]1 ZINC000826344597 948010141 /nfs/dbraw/zinc/01/01/41/948010141.db2.gz MEWPNNFJKZXKEQ-UHFFFAOYSA-N -1 1 383.412 0.756 20 0 GCADMM Cc1onc(CC(=O)N2CCN(Cc3cccc(O)c3)CC2)c1-c1nn[n-]n1 ZINC000826344597 948010151 /nfs/dbraw/zinc/01/01/51/948010151.db2.gz MEWPNNFJKZXKEQ-UHFFFAOYSA-N -1 1 383.412 0.756 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344631 948012705 /nfs/dbraw/zinc/01/27/05/948012705.db2.gz NCDHKPYUHKPDMG-LLVKDONJSA-N -1 1 375.433 0.859 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344631 948012715 /nfs/dbraw/zinc/01/27/15/948012715.db2.gz NCDHKPYUHKPDMG-LLVKDONJSA-N -1 1 375.433 0.859 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573404133 948015126 /nfs/dbraw/zinc/01/51/26/948015126.db2.gz QCXTYMAFQXNAOP-QWHCGFSZSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573404133 948015135 /nfs/dbraw/zinc/01/51/35/948015135.db2.gz QCXTYMAFQXNAOP-QWHCGFSZSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573404322 948022231 /nfs/dbraw/zinc/02/22/31/948022231.db2.gz RXBLXJZHCKMBTM-NSHDSACASA-N -1 1 378.462 0.417 20 0 GCADMM C[C@H](C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573662029 948022838 /nfs/dbraw/zinc/02/28/38/948022838.db2.gz AYXCXVACJGJYPN-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573662029 948022852 /nfs/dbraw/zinc/02/28/52/948022852.db2.gz AYXCXVACJGJYPN-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c1-c1nnn[n-]1 ZINC000826345488 948026744 /nfs/dbraw/zinc/02/67/44/948026744.db2.gz LZWZJBNVQJBOLH-LLVKDONJSA-N -1 1 377.430 0.230 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c1-c1nn[n-]n1 ZINC000826345488 948026754 /nfs/dbraw/zinc/02/67/54/948026754.db2.gz LZWZJBNVQJBOLH-LLVKDONJSA-N -1 1 377.430 0.230 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)c1-c1nnn[n-]1 ZINC000826345746 948027815 /nfs/dbraw/zinc/02/78/15/948027815.db2.gz SQKUCINATXEDPV-NSHDSACASA-N -1 1 386.368 0.799 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)c1-c1nn[n-]n1 ZINC000826345746 948027825 /nfs/dbraw/zinc/02/78/25/948027825.db2.gz SQKUCINATXEDPV-NSHDSACASA-N -1 1 386.368 0.799 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)n1cncn1 ZINC001573663029 948029667 /nfs/dbraw/zinc/02/96/67/948029667.db2.gz IKNJFIUPPWCDLX-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)n1cncn1 ZINC001573663029 948029674 /nfs/dbraw/zinc/02/96/74/948029674.db2.gz IKNJFIUPPWCDLX-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826346493 948040863 /nfs/dbraw/zinc/04/08/63/948040863.db2.gz NVBRPAUYCYKRRU-SECBINFHSA-N -1 1 379.421 0.983 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826346493 948040871 /nfs/dbraw/zinc/04/08/71/948040871.db2.gz NVBRPAUYCYKRRU-SECBINFHSA-N -1 1 379.421 0.983 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826346716 948042492 /nfs/dbraw/zinc/04/24/92/948042492.db2.gz UIJDYPWXEYWMMY-UHFFFAOYSA-N -1 1 377.311 0.739 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826346716 948042501 /nfs/dbraw/zinc/04/25/01/948042501.db2.gz UIJDYPWXEYWMMY-UHFFFAOYSA-N -1 1 377.311 0.739 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)CC2CCCCC2)c1-c1nnn[n-]1 ZINC000826347114 948048780 /nfs/dbraw/zinc/04/87/80/948048780.db2.gz FTJHBONKLBLTOP-UHFFFAOYSA-N -1 1 375.433 0.908 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)CC2CCCCC2)c1-c1nn[n-]n1 ZINC000826347114 948048785 /nfs/dbraw/zinc/04/87/85/948048785.db2.gz FTJHBONKLBLTOP-UHFFFAOYSA-N -1 1 375.433 0.908 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573406536 948052564 /nfs/dbraw/zinc/05/25/64/948052564.db2.gz JTEXOHYZNAYZFQ-JOCQHMNTSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573406536 948052570 /nfs/dbraw/zinc/05/25/70/948052570.db2.gz JTEXOHYZNAYZFQ-JOCQHMNTSA-N -1 1 387.448 0.222 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)NC2CCCCC2)c1-c1nnn[n-]1 ZINC000826347592 948055960 /nfs/dbraw/zinc/05/59/60/948055960.db2.gz WUZMRTIVBVPBRE-UHFFFAOYSA-N -1 1 376.421 0.454 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)NC2CCCCC2)c1-c1nn[n-]n1 ZINC000826347592 948055971 /nfs/dbraw/zinc/05/59/71/948055971.db2.gz WUZMRTIVBVPBRE-UHFFFAOYSA-N -1 1 376.421 0.454 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(N3CCOC3=O)c2)c1-c1nnn[n-]1 ZINC000826347987 948063503 /nfs/dbraw/zinc/06/35/03/948063503.db2.gz OQGLTIORLRJGMG-UHFFFAOYSA-N -1 1 383.368 0.979 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(N3CCOC3=O)c2)c1-c1nn[n-]n1 ZINC000826347987 948063514 /nfs/dbraw/zinc/06/35/14/948063514.db2.gz OQGLTIORLRJGMG-UHFFFAOYSA-N -1 1 383.368 0.979 20 0 GCADMM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573664976 948063917 /nfs/dbraw/zinc/06/39/17/948063917.db2.gz ZGCQJMDDEJBWBI-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573664976 948063924 /nfs/dbraw/zinc/06/39/24/948063924.db2.gz ZGCQJMDDEJBWBI-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)NCCC2N=NC(=S)N2C(C)C)c1-c1nnn[n-]1 ZINC000826348092 948064836 /nfs/dbraw/zinc/06/48/36/948064836.db2.gz UAEBRDCOUSUWJJ-UHFFFAOYSA-N -1 1 377.434 0.526 20 0 GCADMM Cc1onc(CC(=O)NCCC2N=NC(=S)N2C(C)C)c1-c1nn[n-]n1 ZINC000826348092 948064842 /nfs/dbraw/zinc/06/48/42/948064842.db2.gz UAEBRDCOUSUWJJ-UHFFFAOYSA-N -1 1 377.434 0.526 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573665087 948067686 /nfs/dbraw/zinc/06/76/86/948067686.db2.gz IPUIZNFXUZVFDM-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573665087 948067693 /nfs/dbraw/zinc/06/76/93/948067693.db2.gz IPUIZNFXUZVFDM-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826348539 948074922 /nfs/dbraw/zinc/07/49/22/948074922.db2.gz RJHLXFYNBGMIDO-UHFFFAOYSA-N -1 1 397.395 0.817 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826348539 948074928 /nfs/dbraw/zinc/07/49/28/948074928.db2.gz RJHLXFYNBGMIDO-UHFFFAOYSA-N -1 1 397.395 0.817 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348507 948076235 /nfs/dbraw/zinc/07/62/35/948076235.db2.gz PWDKBPNXDUKQJQ-KRWDZBQOSA-N -1 1 396.367 0.399 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348507 948076238 /nfs/dbraw/zinc/07/62/38/948076238.db2.gz PWDKBPNXDUKQJQ-KRWDZBQOSA-N -1 1 396.367 0.399 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nn[n-]n1 ZINC001573409963 948076251 /nfs/dbraw/zinc/07/62/51/948076251.db2.gz YQUOPIJFDWNKOY-WOPDTQHZSA-N -1 1 390.473 0.336 20 0 GCADMM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573413347 948080397 /nfs/dbraw/zinc/08/03/97/948080397.db2.gz CCCZEUILZBEWIT-GFCCVEGCSA-N -1 1 390.473 0.513 20 0 GCADMM Cc1onc(CC(=O)Nc2ccccc2NS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826348889 948084304 /nfs/dbraw/zinc/08/43/04/948084304.db2.gz KCCIXTWXBCAEJJ-UHFFFAOYSA-N -1 1 377.386 0.716 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573666424 948086194 /nfs/dbraw/zinc/08/61/94/948086194.db2.gz SVWGAEIVHHSAPE-HIFPTAJRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573666424 948086204 /nfs/dbraw/zinc/08/62/04/948086204.db2.gz SVWGAEIVHHSAPE-HIFPTAJRSA-N -1 1 382.432 0.954 20 0 GCADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)[C@H]2C)C1 ZINC001573413789 948086343 /nfs/dbraw/zinc/08/63/43/948086343.db2.gz GDZVFNZMLAXVBT-BXKDBHETSA-N -1 1 390.473 0.511 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573667136 948094465 /nfs/dbraw/zinc/09/44/65/948094465.db2.gz YEJVVBDPYDSLGB-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573415125 948102385 /nfs/dbraw/zinc/10/23/85/948102385.db2.gz SXNNHBIXMPLGMO-NSHDSACASA-N -1 1 376.446 0.123 20 0 GCADMM CC(=O)N1CC(C(=O)N2CCCN(c3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001573415190 948104082 /nfs/dbraw/zinc/10/40/82/948104082.db2.gz WKMXVCHWVIXUKT-UHFFFAOYSA-N -1 1 390.473 0.149 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573672120 948107879 /nfs/dbraw/zinc/10/78/79/948107879.db2.gz GTGSVSOWKPJFNW-ZJUUUORDSA-N -1 1 384.487 0.052 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](COc3ccccc3)C2)n(C)c1=O ZINC000826355598 948108810 /nfs/dbraw/zinc/10/88/10/948108810.db2.gz GYGLJWQFISZXFR-LBPRGKRZSA-N -1 1 383.412 0.169 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573415583 948112399 /nfs/dbraw/zinc/11/23/99/948112399.db2.gz YOJXKUTVNFZZKG-UHFFFAOYSA-N -1 1 390.473 0.511 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cccn1 ZINC001573677002 948130514 /nfs/dbraw/zinc/13/05/14/948130514.db2.gz BPNNBVZSTIHNNF-DGCLKSJQSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cccn1 ZINC001573677002 948130520 /nfs/dbraw/zinc/13/05/20/948130520.db2.gz BPNNBVZSTIHNNF-DGCLKSJQSA-N -1 1 382.432 0.445 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)C)C1 ZINC001573422343 948142322 /nfs/dbraw/zinc/14/23/22/948142322.db2.gz JYOSCEDMUFDRRN-GFCCVEGCSA-N -1 1 392.489 0.663 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C2CC2)C1 ZINC001573422218 948142647 /nfs/dbraw/zinc/14/26/47/948142647.db2.gz ISFIURCWOGPJMT-GFCCVEGCSA-N -1 1 390.473 0.417 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573423794 948145614 /nfs/dbraw/zinc/14/56/14/948145614.db2.gz PSEIXOFZIACPBC-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573423794 948145617 /nfs/dbraw/zinc/14/56/17/948145617.db2.gz PSEIXOFZIACPBC-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cccn1 ZINC001573678396 948151689 /nfs/dbraw/zinc/15/16/89/948151689.db2.gz HLLZAGHQRLCEFO-NEPJUHHUSA-N -1 1 382.432 0.445 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573426902 948159813 /nfs/dbraw/zinc/15/98/13/948159813.db2.gz QOXYCZCKAOVHCN-GFCCVEGCSA-N -1 1 390.473 0.195 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)n1cccn1 ZINC001573679639 948164584 /nfs/dbraw/zinc/16/45/84/948164584.db2.gz MKIUZLQREZTLLR-DGCLKSJQSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)n1cccn1 ZINC001573679639 948164588 /nfs/dbraw/zinc/16/45/88/948164588.db2.gz MKIUZLQREZTLLR-DGCLKSJQSA-N -1 1 382.432 0.445 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573679984 948170730 /nfs/dbraw/zinc/17/07/30/948170730.db2.gz KQAQWSGCUMUDQH-TZMCWYRMSA-N -1 1 381.444 0.830 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573430128 948176210 /nfs/dbraw/zinc/17/62/10/948176210.db2.gz OOAYTUWAFUTRPJ-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573430128 948176214 /nfs/dbraw/zinc/17/62/14/948176214.db2.gz OOAYTUWAFUTRPJ-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573431601 948181063 /nfs/dbraw/zinc/18/10/63/948181063.db2.gz XPLZUVRSJBBRLJ-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573431601 948181066 /nfs/dbraw/zinc/18/10/66/948181066.db2.gz XPLZUVRSJBBRLJ-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573432867 948193206 /nfs/dbraw/zinc/19/32/06/948193206.db2.gz HTRAESWEGNDEGQ-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573432867 948193211 /nfs/dbraw/zinc/19/32/11/948193211.db2.gz HTRAESWEGNDEGQ-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573432894 948195803 /nfs/dbraw/zinc/19/58/03/948195803.db2.gz IHLXEXBYHMTDFC-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573432894 948195808 /nfs/dbraw/zinc/19/58/08/948195808.db2.gz IHLXEXBYHMTDFC-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573432893 948195990 /nfs/dbraw/zinc/19/59/90/948195990.db2.gz IHLXEXBYHMTDFC-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573432893 948195995 /nfs/dbraw/zinc/19/59/95/948195995.db2.gz IHLXEXBYHMTDFC-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573681286 948199056 /nfs/dbraw/zinc/19/90/56/948199056.db2.gz UMDMIRBSKMTCRQ-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573681286 948199065 /nfs/dbraw/zinc/19/90/65/948199065.db2.gz UMDMIRBSKMTCRQ-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cnn(C)c1 ZINC001573681398 948203330 /nfs/dbraw/zinc/20/33/30/948203330.db2.gz VGPJQYGUQHWINX-MFKMUULPSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cnn(C)c1 ZINC001573681398 948203337 /nfs/dbraw/zinc/20/33/37/948203337.db2.gz VGPJQYGUQHWINX-MFKMUULPSA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434209 948210201 /nfs/dbraw/zinc/21/02/01/948210201.db2.gz OXVNJWIYBGPVMQ-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434209 948210211 /nfs/dbraw/zinc/21/02/11/948210211.db2.gz OXVNJWIYBGPVMQ-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434560 948215498 /nfs/dbraw/zinc/21/54/98/948215498.db2.gz QJAOXMCMZLRDDU-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434560 948215505 /nfs/dbraw/zinc/21/55/05/948215505.db2.gz QJAOXMCMZLRDDU-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCC1 ZINC001573689922 948220781 /nfs/dbraw/zinc/22/07/81/948220781.db2.gz AMNVHNSCUYVEND-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCC1 ZINC001573689922 948220785 /nfs/dbraw/zinc/22/07/85/948220785.db2.gz AMNVHNSCUYVEND-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573690737 948228057 /nfs/dbraw/zinc/22/80/57/948228057.db2.gz AMJNTJAWJKPYCK-WDEREUQCSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573690737 948228063 /nfs/dbraw/zinc/22/80/63/948228063.db2.gz AMJNTJAWJKPYCK-WDEREUQCSA-N -1 1 385.432 0.022 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573435662 948233561 /nfs/dbraw/zinc/23/35/61/948233561.db2.gz YXKRAPUDCLGYLN-PIGZYNQJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573435662 948233569 /nfs/dbraw/zinc/23/35/69/948233569.db2.gz YXKRAPUDCLGYLN-PIGZYNQJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573438418 948234597 /nfs/dbraw/zinc/23/45/97/948234597.db2.gz AECOLRHNSRKCNV-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573438418 948234607 /nfs/dbraw/zinc/23/46/07/948234607.db2.gz AECOLRHNSRKCNV-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)Cc1cccc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573691197 948238082 /nfs/dbraw/zinc/23/80/82/948238082.db2.gz IBYPEQDDPVLSTH-SKDRFNHKSA-N -1 1 376.808 0.392 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1cccnc1 ZINC001573691334 948239324 /nfs/dbraw/zinc/23/93/24/948239324.db2.gz FHLPCFLMFRBRPP-GFCCVEGCSA-N -1 1 379.428 0.728 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)Cc1cccc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573691195 948239667 /nfs/dbraw/zinc/23/96/67/948239667.db2.gz IBYPEQDDPVLSTH-JOYOIKCWSA-N -1 1 376.808 0.392 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573439678 948249062 /nfs/dbraw/zinc/24/90/62/948249062.db2.gz OUFQVPPWFXUVTO-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573439678 948249070 /nfs/dbraw/zinc/24/90/70/948249070.db2.gz OUFQVPPWFXUVTO-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439742 948250983 /nfs/dbraw/zinc/25/09/83/948250983.db2.gz QTDSENUHNFJQMR-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439742 948250993 /nfs/dbraw/zinc/25/09/93/948250993.db2.gz QTDSENUHNFJQMR-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439775 948251523 /nfs/dbraw/zinc/25/15/23/948251523.db2.gz RVEZBKQOLAUSFQ-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439775 948251532 /nfs/dbraw/zinc/25/15/32/948251532.db2.gz RVEZBKQOLAUSFQ-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692584 948266565 /nfs/dbraw/zinc/26/65/65/948266565.db2.gz QUUDXTMMYGJPCD-MNOVXSKESA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692584 948266571 /nfs/dbraw/zinc/26/65/71/948266571.db2.gz QUUDXTMMYGJPCD-MNOVXSKESA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692586 948267507 /nfs/dbraw/zinc/26/75/07/948267507.db2.gz QUUDXTMMYGJPCD-QWRGUYRKSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692586 948267517 /nfs/dbraw/zinc/26/75/17/948267517.db2.gz QUUDXTMMYGJPCD-QWRGUYRKSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692653 948269177 /nfs/dbraw/zinc/26/91/77/948269177.db2.gz RNQKHWCGCKNBDG-GHMZBOCLSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692653 948269189 /nfs/dbraw/zinc/26/91/89/948269189.db2.gz RNQKHWCGCKNBDG-GHMZBOCLSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692658 948269649 /nfs/dbraw/zinc/26/96/49/948269649.db2.gz RNQKHWCGCKNBDG-QWRGUYRKSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692658 948269661 /nfs/dbraw/zinc/26/96/61/948269661.db2.gz RNQKHWCGCKNBDG-QWRGUYRKSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692656 948269801 /nfs/dbraw/zinc/26/98/01/948269801.db2.gz RNQKHWCGCKNBDG-MNOVXSKESA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573692656 948269810 /nfs/dbraw/zinc/26/98/10/948269810.db2.gz RNQKHWCGCKNBDG-MNOVXSKESA-N -1 1 385.432 0.022 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573441964 948281185 /nfs/dbraw/zinc/28/11/85/948281185.db2.gz DIQUVQAPJSRJIB-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573441964 948281195 /nfs/dbraw/zinc/28/11/95/948281195.db2.gz DIQUVQAPJSRJIB-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573442255 948287848 /nfs/dbraw/zinc/28/78/48/948287848.db2.gz GDJQGDMIMFRTLX-GFCCVEGCSA-N -1 1 389.485 0.487 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573695014 948299532 /nfs/dbraw/zinc/29/95/32/948299532.db2.gz WMGAJHHKSXDNME-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573695014 948299541 /nfs/dbraw/zinc/29/95/41/948299541.db2.gz WMGAJHHKSXDNME-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573443297 948306196 /nfs/dbraw/zinc/30/61/96/948306196.db2.gz MQJSBQXSIIXPAY-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573443297 948306202 /nfs/dbraw/zinc/30/62/02/948306202.db2.gz MQJSBQXSIIXPAY-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573443810 948308179 /nfs/dbraw/zinc/30/81/79/948308179.db2.gz PROVWDZBBXPFKF-CABZTGNLSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cccnc1 ZINC001573695856 948310993 /nfs/dbraw/zinc/31/09/93/948310993.db2.gz JDAHVRAVMLCXRA-NGFQHRJXSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cccnc1 ZINC001573695856 948311005 /nfs/dbraw/zinc/31/10/05/948311005.db2.gz JDAHVRAVMLCXRA-NGFQHRJXSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(F)F ZINC001573695881 948311072 /nfs/dbraw/zinc/31/10/72/948311072.db2.gz JFJFMXRNCKAAMO-DBIOUOCHSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C(F)(F)F ZINC001573695876 948311268 /nfs/dbraw/zinc/31/12/68/948311268.db2.gz JFHYNOMSCTYIGF-KYXWUPHJSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001573695876 948311283 /nfs/dbraw/zinc/31/12/83/948311283.db2.gz JFHYNOMSCTYIGF-KYXWUPHJSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573696182 948317335 /nfs/dbraw/zinc/31/73/35/948317335.db2.gz LUWOPONWKPKRHM-RFAUZJTJSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573696182 948317343 /nfs/dbraw/zinc/31/73/43/948317343.db2.gz LUWOPONWKPKRHM-RFAUZJTJSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573445034 948319191 /nfs/dbraw/zinc/31/91/91/948319191.db2.gz WZFRMCNYYVXHBU-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573445034 948319196 /nfs/dbraw/zinc/31/91/96/948319196.db2.gz WZFRMCNYYVXHBU-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573446169 948324648 /nfs/dbraw/zinc/32/46/48/948324648.db2.gz ABJLCFBWDTVCHA-BXUZGUMPSA-N -1 1 387.448 0.235 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573446169 948324659 /nfs/dbraw/zinc/32/46/59/948324659.db2.gz ABJLCFBWDTVCHA-BXUZGUMPSA-N -1 1 387.448 0.235 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573696745 948332698 /nfs/dbraw/zinc/33/26/98/948332698.db2.gz WRZHCLCCVODJEZ-DIFFPNOSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573696745 948332708 /nfs/dbraw/zinc/33/27/08/948332708.db2.gz WRZHCLCCVODJEZ-DIFFPNOSSA-N -1 1 384.400 0.111 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573446674 948334012 /nfs/dbraw/zinc/33/40/12/948334012.db2.gz MBHMPPXKDVAFLV-QMTHXVAHSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573446674 948334020 /nfs/dbraw/zinc/33/40/20/948334020.db2.gz MBHMPPXKDVAFLV-QMTHXVAHSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573447120 948340938 /nfs/dbraw/zinc/34/09/38/948340938.db2.gz WALIUVPLUQFKGR-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573447120 948340948 /nfs/dbraw/zinc/34/09/48/948340948.db2.gz WALIUVPLUQFKGR-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573702319 948344842 /nfs/dbraw/zinc/34/48/42/948344842.db2.gz DTCJAZABVDVGHA-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573702319 948344847 /nfs/dbraw/zinc/34/48/47/948344847.db2.gz DTCJAZABVDVGHA-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573702589 948346632 /nfs/dbraw/zinc/34/66/32/948346632.db2.gz FSJJOAUHMGMWLJ-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573702589 948346639 /nfs/dbraw/zinc/34/66/39/948346639.db2.gz FSJJOAUHMGMWLJ-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573703415 948355078 /nfs/dbraw/zinc/35/50/78/948355078.db2.gz JYUJDTUEEOIDBS-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573703415 948355087 /nfs/dbraw/zinc/35/50/87/948355087.db2.gz JYUJDTUEEOIDBS-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573704177 948366313 /nfs/dbraw/zinc/36/63/13/948366313.db2.gz QBENVBHDINHHHD-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573704177 948366321 /nfs/dbraw/zinc/36/63/21/948366321.db2.gz QBENVBHDINHHHD-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573704174 948366820 /nfs/dbraw/zinc/36/68/20/948366820.db2.gz QBENVBHDINHHHD-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573704174 948366823 /nfs/dbraw/zinc/36/68/23/948366823.db2.gz QBENVBHDINHHHD-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573704614 948377833 /nfs/dbraw/zinc/37/78/33/948377833.db2.gz TYHMQKWEVHRODP-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573704614 948377844 /nfs/dbraw/zinc/37/78/44/948377844.db2.gz TYHMQKWEVHRODP-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573704737 948379979 /nfs/dbraw/zinc/37/99/79/948379979.db2.gz DGURIPXZRSWHPT-NWDGAFQWSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573704737 948379988 /nfs/dbraw/zinc/37/99/88/948379988.db2.gz DGURIPXZRSWHPT-NWDGAFQWSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573704709 948380152 /nfs/dbraw/zinc/38/01/52/948380152.db2.gz CSYPKXWYFISCFB-SWLSCSKDSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573704709 948380161 /nfs/dbraw/zinc/38/01/61/948380161.db2.gz CSYPKXWYFISCFB-SWLSCSKDSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573704715 948381161 /nfs/dbraw/zinc/38/11/61/948381161.db2.gz CYOMDVLPXDYSAB-CHWSQXEVSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573704715 948381170 /nfs/dbraw/zinc/38/11/70/948381170.db2.gz CYOMDVLPXDYSAB-CHWSQXEVSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573705186 948393289 /nfs/dbraw/zinc/39/32/89/948393289.db2.gz DCFQQNJIMNEUOM-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573705186 948393296 /nfs/dbraw/zinc/39/32/96/948393296.db2.gz DCFQQNJIMNEUOM-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CCCC1 ZINC001573705354 948398137 /nfs/dbraw/zinc/39/81/37/948398137.db2.gz DYWACJSSPBXEPW-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CCCC1 ZINC001573705354 948398143 /nfs/dbraw/zinc/39/81/43/948398143.db2.gz DYWACJSSPBXEPW-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573705620 948403888 /nfs/dbraw/zinc/40/38/88/948403888.db2.gz GMVSICADDNXWJC-LBPRGKRZSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573705620 948403893 /nfs/dbraw/zinc/40/38/93/948403893.db2.gz GMVSICADDNXWJC-LBPRGKRZSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573705900 948409129 /nfs/dbraw/zinc/40/91/29/948409129.db2.gz HDSZVIGGUQKIDN-LLVKDONJSA-N -1 1 383.420 0.208 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573705900 948409133 /nfs/dbraw/zinc/40/91/33/948409133.db2.gz HDSZVIGGUQKIDN-LLVKDONJSA-N -1 1 383.420 0.208 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CCC1 ZINC001573706354 948416517 /nfs/dbraw/zinc/41/65/17/948416517.db2.gz ISFKORUTFVJLQY-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CCC1 ZINC001573706354 948416527 /nfs/dbraw/zinc/41/65/27/948416527.db2.gz ISFKORUTFVJLQY-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573706420 948418887 /nfs/dbraw/zinc/41/88/87/948418887.db2.gz JARLLTKQUNYOFM-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573706420 948418896 /nfs/dbraw/zinc/41/88/96/948418896.db2.gz JARLLTKQUNYOFM-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573706422 948419520 /nfs/dbraw/zinc/41/95/20/948419520.db2.gz JARLLTKQUNYOFM-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573706422 948419526 /nfs/dbraw/zinc/41/95/26/948419526.db2.gz JARLLTKQUNYOFM-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573706942 948427086 /nfs/dbraw/zinc/42/70/86/948427086.db2.gz LRXRTLYUQLLTCS-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573706942 948427090 /nfs/dbraw/zinc/42/70/90/948427090.db2.gz LRXRTLYUQLLTCS-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573707482 948433858 /nfs/dbraw/zinc/43/38/58/948433858.db2.gz PJKIUYGYOWZDQU-NEPJUHHUSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573707482 948433861 /nfs/dbraw/zinc/43/38/61/948433861.db2.gz PJKIUYGYOWZDQU-NEPJUHHUSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573708210 948444081 /nfs/dbraw/zinc/44/40/81/948444081.db2.gz RYQYAPNNSNVSAS-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573708210 948444086 /nfs/dbraw/zinc/44/40/86/948444086.db2.gz RYQYAPNNSNVSAS-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573708212 948445177 /nfs/dbraw/zinc/44/51/77/948445177.db2.gz RYQYAPNNSNVSAS-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573708212 948445181 /nfs/dbraw/zinc/44/51/81/948445181.db2.gz RYQYAPNNSNVSAS-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573708519 948451403 /nfs/dbraw/zinc/45/14/03/948451403.db2.gz WBPIMSPYHBGYBG-LLVKDONJSA-N -1 1 383.420 0.208 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573708519 948451410 /nfs/dbraw/zinc/45/14/10/948451410.db2.gz WBPIMSPYHBGYBG-LLVKDONJSA-N -1 1 383.420 0.208 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573708486 948452286 /nfs/dbraw/zinc/45/22/86/948452286.db2.gz VHBHPWKEQDTMOY-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573708486 948452294 /nfs/dbraw/zinc/45/22/94/948452294.db2.gz VHBHPWKEQDTMOY-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573708802 948460295 /nfs/dbraw/zinc/46/02/95/948460295.db2.gz XWORMZPDRATXCF-IUODEOHRSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573708802 948460298 /nfs/dbraw/zinc/46/02/98/948460298.db2.gz XWORMZPDRATXCF-IUODEOHRSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573708887 948462571 /nfs/dbraw/zinc/46/25/71/948462571.db2.gz YHGJWELVAJKTOI-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573708887 948462577 /nfs/dbraw/zinc/46/25/77/948462577.db2.gz YHGJWELVAJKTOI-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573714511 948472609 /nfs/dbraw/zinc/47/26/09/948472609.db2.gz HKJTUEYBJNRYEY-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCCOCCCNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573719576 948527269 /nfs/dbraw/zinc/52/72/69/948527269.db2.gz WYRUTINWMBMJIN-SECBINFHSA-N -1 1 388.354 0.790 20 0 GCADMM C[C@H](C(=O)NCCOCCCNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573719576 948527273 /nfs/dbraw/zinc/52/72/73/948527273.db2.gz WYRUTINWMBMJIN-SECBINFHSA-N -1 1 388.354 0.790 20 0 GCADMM C[C@H](C(=O)NCc1ccc(OCC(F)(F)F)nn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573727723 948555502 /nfs/dbraw/zinc/55/55/02/948555502.db2.gz BSZZNWTWTDJPPI-SSDOTTSWSA-N -1 1 398.309 0.067 20 0 GCADMM C[C@H](C(=O)NCc1cc(Br)ccn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573727673 948556043 /nfs/dbraw/zinc/55/60/43/948556043.db2.gz BISRNEKUXJJPBA-SSDOTTSWSA-N -1 1 378.194 0.493 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)n1cccc1 ZINC001573728804 948563696 /nfs/dbraw/zinc/56/36/96/948563696.db2.gz RBYSSLDAWDGNOC-MGPQQGTHSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccc1 ZINC001573728804 948563701 /nfs/dbraw/zinc/56/37/01/948563701.db2.gz RBYSSLDAWDGNOC-MGPQQGTHSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@H](C(=O)NCc1sncc1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573729074 948566330 /nfs/dbraw/zinc/56/63/30/948566330.db2.gz GARSTHXCUCDWBB-RXMQYKEDSA-N -1 1 384.223 0.555 20 0 GCADMM C[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)n1nnc(-c2ccccc2)n1 ZINC001573730354 948578687 /nfs/dbraw/zinc/57/86/87/948578687.db2.gz OWYPLSCTPLUCAR-SECBINFHSA-N -1 1 382.413 0.854 20 0 GCADMM C[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)n1nnc(-c2ccccc2)n1 ZINC001573730354 948578697 /nfs/dbraw/zinc/57/86/97/948578697.db2.gz OWYPLSCTPLUCAR-SECBINFHSA-N -1 1 382.413 0.854 20 0 GCADMM C[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001573731747 948594040 /nfs/dbraw/zinc/59/40/40/948594040.db2.gz YGRGKMDVXDNWGO-UTLUCORTSA-N -1 1 389.441 0.503 20 0 GCADMM C[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001573731747 948594042 /nfs/dbraw/zinc/59/40/42/948594042.db2.gz YGRGKMDVXDNWGO-UTLUCORTSA-N -1 1 389.441 0.503 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573736092 948612746 /nfs/dbraw/zinc/61/27/46/948612746.db2.gz HTACGFYDDYCMCG-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573736092 948612751 /nfs/dbraw/zinc/61/27/51/948612751.db2.gz HTACGFYDDYCMCG-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573739784 948622032 /nfs/dbraw/zinc/62/20/32/948622032.db2.gz HPNWNLSHDRVOIX-UNJBNNCHSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573739784 948622038 /nfs/dbraw/zinc/62/20/38/948622038.db2.gz HPNWNLSHDRVOIX-UNJBNNCHSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1ccsc1 ZINC001573740500 948636068 /nfs/dbraw/zinc/63/60/68/948636068.db2.gz JZNZHROBKWNYGP-WQAKAFBOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccsc1 ZINC001573740500 948636070 /nfs/dbraw/zinc/63/60/70/948636070.db2.gz JZNZHROBKWNYGP-WQAKAFBOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1cnn(C)c1 ZINC001573740542 948637722 /nfs/dbraw/zinc/63/77/22/948637722.db2.gz LHFSRGNFCUAOOM-UHIISALHSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1cnn(C)c1 ZINC001573740542 948637725 /nfs/dbraw/zinc/63/77/25/948637725.db2.gz LHFSRGNFCUAOOM-UHIISALHSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573740716 948641917 /nfs/dbraw/zinc/64/19/17/948641917.db2.gz SBSCEEQNHNKWRG-LPWJVIDDSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573740716 948641922 /nfs/dbraw/zinc/64/19/22/948641922.db2.gz SBSCEEQNHNKWRG-LPWJVIDDSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccs1 ZINC001573740839 948643493 /nfs/dbraw/zinc/64/34/93/948643493.db2.gz PKFFDYUFTVFGSU-MVWJERBFSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccs1 ZINC001573740839 948643496 /nfs/dbraw/zinc/64/34/96/948643496.db2.gz PKFFDYUFTVFGSU-MVWJERBFSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O)C1CC1 ZINC001573740998 948647643 /nfs/dbraw/zinc/64/76/43/948647643.db2.gz WIANSOJLHVHVEJ-NBEYISGCSA-N -1 1 383.865 0.688 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O)C1CC1 ZINC001573740998 948647653 /nfs/dbraw/zinc/64/76/53/948647653.db2.gz WIANSOJLHVHVEJ-NBEYISGCSA-N -1 1 383.865 0.688 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001573741973 948657399 /nfs/dbraw/zinc/65/73/99/948657399.db2.gz HAOWUSJVHKBGJK-VWYCJHECSA-N -1 1 391.436 0.533 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1cnn(C)c1 ZINC001573745671 948673726 /nfs/dbraw/zinc/67/37/26/948673726.db2.gz GPXJOHGYIZQBAY-LOWVWBTDSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1cnn(C)c1 ZINC001573745671 948673732 /nfs/dbraw/zinc/67/37/32/948673732.db2.gz GPXJOHGYIZQBAY-LOWVWBTDSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573745710 948675756 /nfs/dbraw/zinc/67/57/56/948675756.db2.gz GYOMGZDPIPPBAF-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573745710 948675762 /nfs/dbraw/zinc/67/57/62/948675762.db2.gz GYOMGZDPIPPBAF-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573747387 948689928 /nfs/dbraw/zinc/68/99/28/948689928.db2.gz SVWGAEIVHHSAPE-AVGNSLFASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573747387 948689932 /nfs/dbraw/zinc/68/99/32/948689932.db2.gz SVWGAEIVHHSAPE-AVGNSLFASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573751914 948706868 /nfs/dbraw/zinc/70/68/68/948706868.db2.gz HTPAYPKAZMGPPB-NDBYEHHHSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573752498 948714988 /nfs/dbraw/zinc/71/49/88/948714988.db2.gz NOPXEVUXTOFQMS-CRWXNKLISA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573752988 948715748 /nfs/dbraw/zinc/71/57/48/948715748.db2.gz PYXZOOKRQYEDBY-MQYQWHSLSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573752988 948715756 /nfs/dbraw/zinc/71/57/56/948715756.db2.gz PYXZOOKRQYEDBY-MQYQWHSLSA-N -1 1 379.428 0.945 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574416480 948748803 /nfs/dbraw/zinc/74/88/03/948748803.db2.gz VCEHHUBNPIEUQF-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574416480 948748811 /nfs/dbraw/zinc/74/88/11/948748811.db2.gz VCEHHUBNPIEUQF-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001574416414 948748864 /nfs/dbraw/zinc/74/88/64/948748864.db2.gz VABOZIIDTYLKIB-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001574416414 948748877 /nfs/dbraw/zinc/74/88/77/948748877.db2.gz VABOZIIDTYLKIB-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574678409 948749174 /nfs/dbraw/zinc/74/91/74/948749174.db2.gz FNKBHJLTGXKDRI-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574678409 948749185 /nfs/dbraw/zinc/74/91/85/948749185.db2.gz FNKBHJLTGXKDRI-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075853 948749309 /nfs/dbraw/zinc/74/93/09/948749309.db2.gz ZOIASBJVMIHTJT-AAEUAGOBSA-N -1 1 378.412 0.102 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001574678415 948749479 /nfs/dbraw/zinc/74/94/79/948749479.db2.gz FPJWXRAOYJCYKO-WDEREUQCSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001574678415 948749487 /nfs/dbraw/zinc/74/94/87/948749487.db2.gz FPJWXRAOYJCYKO-WDEREUQCSA-N -1 1 382.432 0.492 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075859 948750438 /nfs/dbraw/zinc/75/04/38/948750438.db2.gz ZOIASBJVMIHTJT-YPMHNXCESA-N -1 1 378.412 0.102 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574678394 948750458 /nfs/dbraw/zinc/75/04/58/948750458.db2.gz FJQVEQHMCYGXKF-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574678394 948750476 /nfs/dbraw/zinc/75/04/76/948750476.db2.gz FJQVEQHMCYGXKF-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575221707 948752087 /nfs/dbraw/zinc/75/20/87/948752087.db2.gz BSJKNIYCRGCFLY-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c(C2CC2)cnn1C ZINC001574678605 948752897 /nfs/dbraw/zinc/75/28/97/948752897.db2.gz HHRUVOKYMKNLTI-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c(C2CC2)cnn1C ZINC001574678605 948752909 /nfs/dbraw/zinc/75/29/09/948752909.db2.gz HHRUVOKYMKNLTI-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CC1 ZINC001575222248 948754501 /nfs/dbraw/zinc/75/45/01/948754501.db2.gz HDZBIVOTDFWBLX-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CC1 ZINC001575222248 948754514 /nfs/dbraw/zinc/75/45/14/948754514.db2.gz HDZBIVOTDFWBLX-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001574416631 948755120 /nfs/dbraw/zinc/75/51/20/948755120.db2.gz ZZWWVRLAANWKKG-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001574416631 948755130 /nfs/dbraw/zinc/75/51/30/948755130.db2.gz ZZWWVRLAANWKKG-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223236 948761218 /nfs/dbraw/zinc/76/12/18/948761218.db2.gz LWVZDZNXRMKQNE-MGCOHNPYSA-N -1 1 378.387 0.821 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574418497 948776892 /nfs/dbraw/zinc/77/68/92/948776892.db2.gz XGPSKZMTHSCNFK-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574418497 948776901 /nfs/dbraw/zinc/77/69/01/948776901.db2.gz XGPSKZMTHSCNFK-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575224162 948777331 /nfs/dbraw/zinc/77/73/31/948777331.db2.gz JRPVYMUIGYPOFX-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c(Cl)cnn1C ZINC001574679347 948777658 /nfs/dbraw/zinc/77/76/58/948777658.db2.gz SZTSXSSJNGNPQM-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c(Cl)cnn1C ZINC001574679347 948777665 /nfs/dbraw/zinc/77/76/65/948777665.db2.gz SZTSXSSJNGNPQM-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575224167 948778570 /nfs/dbraw/zinc/77/85/70/948778570.db2.gz JRPVYMUIGYPOFX-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574679352 948778835 /nfs/dbraw/zinc/77/88/35/948778835.db2.gz TVMPKUBQDAFXSF-RYUDHWBXSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574679352 948778850 /nfs/dbraw/zinc/77/88/50/948778850.db2.gz TVMPKUBQDAFXSF-RYUDHWBXSA-N -1 1 383.416 0.826 20 0 GCADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575224305 948781340 /nfs/dbraw/zinc/78/13/40/948781340.db2.gz MEJCWKAIWUAROK-VHSXEESVSA-N -1 1 378.387 0.963 20 0 GCADMM CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575224306 948781845 /nfs/dbraw/zinc/78/18/45/948781845.db2.gz MEJCWKAIWUAROK-ZJUUUORDSA-N -1 1 378.387 0.963 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574679420 948782675 /nfs/dbraw/zinc/78/26/75/948782675.db2.gz UYRVWOUEOOYBEK-RYUDHWBXSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574679420 948782687 /nfs/dbraw/zinc/78/26/87/948782687.db2.gz UYRVWOUEOOYBEK-RYUDHWBXSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C)c1C(F)F ZINC001574679508 948784752 /nfs/dbraw/zinc/78/47/52/948784752.db2.gz WPBYCIKGXNUKKP-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C)c1C(F)F ZINC001574679508 948784760 /nfs/dbraw/zinc/78/47/60/948784760.db2.gz WPBYCIKGXNUKKP-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM CC(C)[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1F ZINC001574080308 948790480 /nfs/dbraw/zinc/79/04/80/948790480.db2.gz OSEHEKSMCFERPG-CQSZACIVSA-N -1 1 387.375 0.782 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574679653 948792298 /nfs/dbraw/zinc/79/22/98/948792298.db2.gz ZUDPCDNFIHIRHJ-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574679653 948792304 /nfs/dbraw/zinc/79/23/04/948792304.db2.gz ZUDPCDNFIHIRHJ-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224719 948792844 /nfs/dbraw/zinc/79/28/44/948792844.db2.gz XPQKIYQHZVXCBT-JTQLQIEISA-N -1 1 378.387 0.917 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)CC(C)(C)C ZINC001574679881 948793609 /nfs/dbraw/zinc/79/36/09/948793609.db2.gz AMECRDMWPWSVJR-NSHDSACASA-N -1 1 389.464 0.516 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)CC(C)(C)C ZINC001574679881 948793623 /nfs/dbraw/zinc/79/36/23/948793623.db2.gz AMECRDMWPWSVJR-NSHDSACASA-N -1 1 389.464 0.516 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574420217 948794044 /nfs/dbraw/zinc/79/40/44/948794044.db2.gz QTNNZJCRIIPNRI-GFCCVEGCSA-N -1 1 382.428 0.405 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001574680847 948810464 /nfs/dbraw/zinc/81/04/64/948810464.db2.gz ITRITIWQPBASDY-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001574680847 948810484 /nfs/dbraw/zinc/81/04/84/948810484.db2.gz ITRITIWQPBASDY-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM CC(F)(F)CC(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575225990 948812513 /nfs/dbraw/zinc/81/25/13/948812513.db2.gz IBMUNMXSHBDFHB-UHFFFAOYSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)CC(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575225990 948812527 /nfs/dbraw/zinc/81/25/27/948812527.db2.gz IBMUNMXSHBDFHB-UHFFFAOYSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CC1 ZINC001575226189 948813244 /nfs/dbraw/zinc/81/32/44/948813244.db2.gz JBPKBQPOAPTOMT-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CC1 ZINC001575226189 948813260 /nfs/dbraw/zinc/81/32/60/948813260.db2.gz JBPKBQPOAPTOMT-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574680959 948815110 /nfs/dbraw/zinc/81/51/10/948815110.db2.gz KUJFSCMMHOZJFR-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574680959 948815134 /nfs/dbraw/zinc/81/51/34/948815134.db2.gz KUJFSCMMHOZJFR-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575226499 948818373 /nfs/dbraw/zinc/81/83/73/948818373.db2.gz MVJCPIBQHHCTPW-HNNXBMFYSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575226499 948818390 /nfs/dbraw/zinc/81/83/90/948818390.db2.gz MVJCPIBQHHCTPW-HNNXBMFYSA-N -1 1 382.375 0.467 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C)c1C(F)F ZINC001574681712 948819598 /nfs/dbraw/zinc/81/95/98/948819598.db2.gz NALQWKAAPLPQRH-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C)c1C(F)F ZINC001574681712 948819620 /nfs/dbraw/zinc/81/96/20/948819620.db2.gz NALQWKAAPLPQRH-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574421809 948824326 /nfs/dbraw/zinc/82/43/26/948824326.db2.gz QDUVAYIFEBENBZ-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574421809 948824343 /nfs/dbraw/zinc/82/43/43/948824343.db2.gz QDUVAYIFEBENBZ-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1nn(C)cc1Cl ZINC001574682167 948829142 /nfs/dbraw/zinc/82/91/42/948829142.db2.gz PGGXRABMKMRXBH-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1nn(C)cc1Cl ZINC001574682167 948829154 /nfs/dbraw/zinc/82/91/54/948829154.db2.gz PGGXRABMKMRXBH-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574683050 948835261 /nfs/dbraw/zinc/83/52/61/948835261.db2.gz SPSKWQOEOSRLHG-AAEUAGOBSA-N -1 1 387.448 0.363 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574683050 948835276 /nfs/dbraw/zinc/83/52/76/948835276.db2.gz SPSKWQOEOSRLHG-AAEUAGOBSA-N -1 1 387.448 0.363 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574683369 948849795 /nfs/dbraw/zinc/84/97/95/948849795.db2.gz YLGLGBCEUNWVSZ-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574683369 948849815 /nfs/dbraw/zinc/84/98/15/948849815.db2.gz YLGLGBCEUNWVSZ-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM CC(C)(C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573763366 948866900 /nfs/dbraw/zinc/86/69/00/948866900.db2.gz DPFUFJULLJWANJ-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573763366 948866915 /nfs/dbraw/zinc/86/69/15/948866915.db2.gz DPFUFJULLJWANJ-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H](C)NC(N)=O ZINC001574684545 948872736 /nfs/dbraw/zinc/87/27/36/948872736.db2.gz IBJDZTDQAXSHLZ-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H](C)NC(N)=O ZINC001574684545 948872743 /nfs/dbraw/zinc/87/27/43/948872743.db2.gz IBJDZTDQAXSHLZ-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM CC(C)c1nc([C@@H](CO)NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cs1 ZINC001574425486 948877261 /nfs/dbraw/zinc/87/72/61/948877261.db2.gz GBEMPWZJETZHSY-DTWKUNHWSA-N -1 1 377.434 0.449 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)CCCC(N)=O ZINC001574684668 948878291 /nfs/dbraw/zinc/87/82/91/948878291.db2.gz KLACOPQIVDATFJ-SSDOTTSWSA-N -1 1 386.869 0.939 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnn(C)n1 ZINC001574684802 948889385 /nfs/dbraw/zinc/88/93/85/948889385.db2.gz MWPCUFIDFZCQPO-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575234444 948901090 /nfs/dbraw/zinc/90/10/90/948901090.db2.gz CTWMPAZSCKIXRX-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575234444 948901100 /nfs/dbraw/zinc/90/11/00/948901100.db2.gz CTWMPAZSCKIXRX-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC[C@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1OCC(=O)N(C)C ZINC001589569580 948901340 /nfs/dbraw/zinc/90/13/40/948901340.db2.gz YLSBCEDFLOXYSB-LSDHHAIUSA-N -1 1 377.441 0.880 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574920900 948912419 /nfs/dbraw/zinc/91/24/19/948912419.db2.gz QNYAQJNCYLIHPH-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574920900 948912425 /nfs/dbraw/zinc/91/24/25/948912425.db2.gz QNYAQJNCYLIHPH-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574921423 948922255 /nfs/dbraw/zinc/92/22/55/948922255.db2.gz XAUFAUIYXULZIG-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574921423 948922268 /nfs/dbraw/zinc/92/22/68/948922268.db2.gz XAUFAUIYXULZIG-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)(C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(F)F ZINC001573766047 948931121 /nfs/dbraw/zinc/93/11/21/948931121.db2.gz VPQVAXZORQCGOG-AOOOYVTPSA-N -1 1 378.387 0.843 20 0 GCADMM CC(C)(C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(F)F ZINC001573766047 948931133 /nfs/dbraw/zinc/93/11/33/948931133.db2.gz VPQVAXZORQCGOG-AOOOYVTPSA-N -1 1 378.387 0.843 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573771323 948938275 /nfs/dbraw/zinc/93/82/75/948938275.db2.gz GHPPHWQPJJGHDE-NSHDSACASA-N -1 1 382.432 0.443 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574432693 948939688 /nfs/dbraw/zinc/93/96/88/948939688.db2.gz AIDBFKXXCVNNDG-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574432693 948939695 /nfs/dbraw/zinc/93/96/95/948939695.db2.gz AIDBFKXXCVNNDG-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1c[nH]cn1 ZINC001573771471 948940813 /nfs/dbraw/zinc/94/08/13/948940813.db2.gz ILNCNSATOYXXHL-LBPRGKRZSA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574432911 948941489 /nfs/dbraw/zinc/94/14/89/948941489.db2.gz PCUGLRKPFVIHNO-NSHDSACASA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574432911 948941500 /nfs/dbraw/zinc/94/15/00/948941500.db2.gz PCUGLRKPFVIHNO-NSHDSACASA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574923337 948944107 /nfs/dbraw/zinc/94/41/07/948944107.db2.gz KAMPWAVRBXMDPF-GFCCVEGCSA-N -1 1 383.416 0.073 20 0 GCADMM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574923337 948944119 /nfs/dbraw/zinc/94/41/19/948944119.db2.gz KAMPWAVRBXMDPF-GFCCVEGCSA-N -1 1 383.416 0.073 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574433100 948945404 /nfs/dbraw/zinc/94/54/04/948945404.db2.gz GRACUUQMYGMMSH-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574433100 948945414 /nfs/dbraw/zinc/94/54/14/948945414.db2.gz GRACUUQMYGMMSH-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575237279 948945388 /nfs/dbraw/zinc/94/53/88/948945388.db2.gz DJUYRVDFHXEKHV-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433115 948946480 /nfs/dbraw/zinc/94/64/80/948946480.db2.gz HOULNTOBYSFZKP-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433115 948946489 /nfs/dbraw/zinc/94/64/89/948946489.db2.gz HOULNTOBYSFZKP-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573771718 948946621 /nfs/dbraw/zinc/94/66/21/948946621.db2.gz LVLZVOCSCVQPEG-NSHDSACASA-N -1 1 382.432 0.086 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001575237891 948946891 /nfs/dbraw/zinc/94/68/91/948946891.db2.gz ISZOESSWDDSDDN-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001575237891 948946900 /nfs/dbraw/zinc/94/69/00/948946900.db2.gz ISZOESSWDDSDDN-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574433363 948952503 /nfs/dbraw/zinc/95/25/03/948952503.db2.gz WGTKNBZWXKQAIK-JYAVWHMHSA-N -1 1 392.427 0.435 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001575238376 948954809 /nfs/dbraw/zinc/95/48/09/948954809.db2.gz LQIBOIKGUBUWFH-VHSXEESVSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001575238376 948954813 /nfs/dbraw/zinc/95/48/13/948954813.db2.gz LQIBOIKGUBUWFH-VHSXEESVSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574433388 948955523 /nfs/dbraw/zinc/95/55/23/948955523.db2.gz KODYKZAZGSVUPE-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574433388 948955531 /nfs/dbraw/zinc/95/55/31/948955531.db2.gz KODYKZAZGSVUPE-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089489 948955729 /nfs/dbraw/zinc/95/57/29/948955729.db2.gz HUEISKDCXLZJEM-KGLIPLIRSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574433459 948955746 /nfs/dbraw/zinc/95/57/46/948955746.db2.gz NZHZBCVRUABPEW-PHIMTYICSA-N -1 1 382.432 0.887 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574433459 948955754 /nfs/dbraw/zinc/95/57/54/948955754.db2.gz NZHZBCVRUABPEW-PHIMTYICSA-N -1 1 382.432 0.887 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574089504 948956291 /nfs/dbraw/zinc/95/62/91/948956291.db2.gz HXCTUKFVTRLURA-UONOGXRCSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574089504 948956307 /nfs/dbraw/zinc/95/63/07/948956307.db2.gz HXCTUKFVTRLURA-UONOGXRCSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089493 948957180 /nfs/dbraw/zinc/95/71/80/948957180.db2.gz HUEISKDCXLZJEM-ZIAGYGMSSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCCO1 ZINC001573772411 948957385 /nfs/dbraw/zinc/95/73/85/948957385.db2.gz BIUBBFNTXLBSHP-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCCO1 ZINC001573772411 948957394 /nfs/dbraw/zinc/95/73/94/948957394.db2.gz BIUBBFNTXLBSHP-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433595 948958867 /nfs/dbraw/zinc/95/88/67/948958867.db2.gz XVRIAUSGLRRJFS-WDEREUQCSA-N -1 1 382.432 0.611 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C(F)F ZINC001573772352 948958806 /nfs/dbraw/zinc/95/88/06/948958806.db2.gz AOEBSNNFFKBOHY-DTWKUNHWSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)C(F)F ZINC001573772352 948958812 /nfs/dbraw/zinc/95/88/12/948958812.db2.gz AOEBSNNFFKBOHY-DTWKUNHWSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574433478 948959723 /nfs/dbraw/zinc/95/97/23/948959723.db2.gz OPWRUMYHAKYXGR-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574433478 948959737 /nfs/dbraw/zinc/95/97/37/948959737.db2.gz OPWRUMYHAKYXGR-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)[C@@H]1C[C@H](CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574089571 948959931 /nfs/dbraw/zinc/95/99/31/948959931.db2.gz FKSLUMMFCYKBFZ-YPMHNXCESA-N -1 1 391.432 0.087 20 0 GCADMM CC(C)(C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573772831 948966554 /nfs/dbraw/zinc/96/65/54/948966554.db2.gz WVEOCDMEQSXUMC-NSHDSACASA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433887 948968137 /nfs/dbraw/zinc/96/81/37/948968137.db2.gz UUZTXQLAISHGDO-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433887 948968150 /nfs/dbraw/zinc/96/81/50/948968150.db2.gz UUZTXQLAISHGDO-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433932 948969811 /nfs/dbraw/zinc/96/98/11/948969811.db2.gz WQHUVFFMFJEALO-JTQLQIEISA-N -1 1 385.457 0.985 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575240125 948970666 /nfs/dbraw/zinc/97/06/66/948970666.db2.gz ZSCRZAAXAVUWDH-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575240125 948970675 /nfs/dbraw/zinc/97/06/75/948970675.db2.gz ZSCRZAAXAVUWDH-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574434180 948976557 /nfs/dbraw/zinc/97/65/57/948976557.db2.gz YTQRUJGXIKGNBM-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574434180 948976569 /nfs/dbraw/zinc/97/65/69/948976569.db2.gz YTQRUJGXIKGNBM-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C(F)F ZINC001573773144 948977445 /nfs/dbraw/zinc/97/74/45/948977445.db2.gz IABGZEXOWRBTGK-PSASIEDQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C(F)F ZINC001573773144 948977455 /nfs/dbraw/zinc/97/74/55/948977455.db2.gz IABGZEXOWRBTGK-PSASIEDQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)F ZINC001573773371 948982327 /nfs/dbraw/zinc/98/23/27/948982327.db2.gz LUEVRAYQGVMBGT-IUCAKERBSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C(F)F ZINC001573773373 948982360 /nfs/dbraw/zinc/98/23/60/948982360.db2.gz LUEVRAYQGVMBGT-RKDXNWHRSA-N -1 1 382.375 0.004 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574926072 948983023 /nfs/dbraw/zinc/98/30/23/948983023.db2.gz HTKCMOJBIWLZMT-CYBMUJFWSA-N -1 1 381.444 0.734 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574926072 948983036 /nfs/dbraw/zinc/98/30/36/948983036.db2.gz HTKCMOJBIWLZMT-CYBMUJFWSA-N -1 1 381.444 0.734 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C(F)F ZINC001573773609 948985239 /nfs/dbraw/zinc/98/52/39/948985239.db2.gz NHSAVPUOMBOCLN-PSASIEDQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C(F)F ZINC001573773609 948985254 /nfs/dbraw/zinc/98/52/54/948985254.db2.gz NHSAVPUOMBOCLN-PSASIEDQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C(F)F ZINC001573773612 948986518 /nfs/dbraw/zinc/98/65/18/948986518.db2.gz NHSAVPUOMBOCLN-WPRPVWTQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C(F)F ZINC001573773612 948986532 /nfs/dbraw/zinc/98/65/32/948986532.db2.gz NHSAVPUOMBOCLN-WPRPVWTQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573773971 948993283 /nfs/dbraw/zinc/99/32/83/948993283.db2.gz HGJFQFQVRPPLBI-SECBINFHSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574689980 948994543 /nfs/dbraw/zinc/99/45/43/948994543.db2.gz MYUVMTHCFHEJHW-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574689980 948994558 /nfs/dbraw/zinc/99/45/58/948994558.db2.gz MYUVMTHCFHEJHW-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573774094 948999915 /nfs/dbraw/zinc/99/99/15/948999915.db2.gz QGGRQQAPYZKCKN-ZDUSSCGKSA-N -1 1 379.428 0.724 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573774092 949000226 /nfs/dbraw/zinc/00/02/26/949000226.db2.gz QGGRQQAPYZKCKN-CYBMUJFWSA-N -1 1 379.428 0.724 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574690713 949006866 /nfs/dbraw/zinc/00/68/66/949006866.db2.gz QDEAPPDDRIYSLL-QWRGUYRKSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574690713 949006878 /nfs/dbraw/zinc/00/68/78/949006878.db2.gz QDEAPPDDRIYSLL-QWRGUYRKSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575501398 949013451 /nfs/dbraw/zinc/01/34/51/949013451.db2.gz HMDQOARYYSOWLX-NWDGAFQWSA-N -1 1 383.416 0.200 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574439837 949018082 /nfs/dbraw/zinc/01/80/82/949018082.db2.gz JTMWETGZTTVOKO-UHFFFAOYSA-N -1 1 386.420 0.088 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574439901 949018242 /nfs/dbraw/zinc/01/82/42/949018242.db2.gz LYGHLIZJGRIFFM-VIFPVBQESA-N -1 1 386.445 0.640 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574439901 949018260 /nfs/dbraw/zinc/01/82/60/949018260.db2.gz LYGHLIZJGRIFFM-VIFPVBQESA-N -1 1 386.445 0.640 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574926753 949019881 /nfs/dbraw/zinc/01/98/81/949019881.db2.gz WUUBXTKGRQHKCI-ZDUSSCGKSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574926753 949019904 /nfs/dbraw/zinc/01/99/04/949019904.db2.gz WUUBXTKGRQHKCI-ZDUSSCGKSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926745 949020560 /nfs/dbraw/zinc/02/05/60/949020560.db2.gz WOMMFFHIAJBUEC-LBPRGKRZSA-N -1 1 387.448 0.224 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926745 949020543 /nfs/dbraw/zinc/02/05/43/949020543.db2.gz WOMMFFHIAJBUEC-LBPRGKRZSA-N -1 1 387.448 0.224 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575502211 949024652 /nfs/dbraw/zinc/02/46/52/949024652.db2.gz ISXMCGREQLMWTC-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575502211 949024665 /nfs/dbraw/zinc/02/46/65/949024665.db2.gz ISXMCGREQLMWTC-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926945 949031029 /nfs/dbraw/zinc/03/10/29/949031029.db2.gz ZXKFXQRHDCIKCZ-ZDUSSCGKSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926945 949031011 /nfs/dbraw/zinc/03/10/11/949031011.db2.gz ZXKFXQRHDCIKCZ-ZDUSSCGKSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574691906 949031354 /nfs/dbraw/zinc/03/13/54/949031354.db2.gz ZIKLUCUONCERTH-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574691906 949031371 /nfs/dbraw/zinc/03/13/71/949031371.db2.gz ZIKLUCUONCERTH-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCCO1 ZINC001573775224 949034577 /nfs/dbraw/zinc/03/45/77/949034577.db2.gz UCUXBROCPHAXRH-WCQYABFASA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCCO1 ZINC001573775224 949034598 /nfs/dbraw/zinc/03/45/98/949034598.db2.gz UCUXBROCPHAXRH-WCQYABFASA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCO1 ZINC001573775464 949038040 /nfs/dbraw/zinc/03/80/40/949038040.db2.gz XDZYNXSUEOGAPE-AAEUAGOBSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCO1 ZINC001573775464 949038058 /nfs/dbraw/zinc/03/80/58/949038058.db2.gz XDZYNXSUEOGAPE-AAEUAGOBSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCO1 ZINC001573775467 949038106 /nfs/dbraw/zinc/03/81/06/949038106.db2.gz XDZYNXSUEOGAPE-YPMHNXCESA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCO1 ZINC001573775467 949038122 /nfs/dbraw/zinc/03/81/22/949038122.db2.gz XDZYNXSUEOGAPE-YPMHNXCESA-N -1 1 390.448 0.141 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574927207 949040837 /nfs/dbraw/zinc/04/08/37/949040837.db2.gz HHLOASFVARSUJA-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574927207 949040856 /nfs/dbraw/zinc/04/08/56/949040856.db2.gz HHLOASFVARSUJA-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575246639 949040999 /nfs/dbraw/zinc/04/09/99/949040999.db2.gz HDZARDWLDXNVBO-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575246639 949041018 /nfs/dbraw/zinc/04/10/18/949041018.db2.gz HDZARDWLDXNVBO-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247519 949042952 /nfs/dbraw/zinc/04/29/52/949042952.db2.gz JIWVHVXFBVPAOW-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247519 949042968 /nfs/dbraw/zinc/04/29/68/949042968.db2.gz JIWVHVXFBVPAOW-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575247128 949045555 /nfs/dbraw/zinc/04/55/55/949045555.db2.gz IJTAOSMCVHXANV-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575247128 949045539 /nfs/dbraw/zinc/04/55/39/949045539.db2.gz IJTAOSMCVHXANV-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573779000 949048304 /nfs/dbraw/zinc/04/83/04/949048304.db2.gz BYLKGJLTPCZYGU-OAHLLOKOSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575247913 949055312 /nfs/dbraw/zinc/05/53/12/949055312.db2.gz LMWOTXKGQBSKGY-JTQLQIEISA-N -1 1 391.501 0.779 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575504045 949056096 /nfs/dbraw/zinc/05/60/96/949056096.db2.gz RAXQRYFYQQALJE-NWDGAFQWSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575504045 949056115 /nfs/dbraw/zinc/05/61/15/949056115.db2.gz RAXQRYFYQQALJE-NWDGAFQWSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575504036 949057117 /nfs/dbraw/zinc/05/71/17/949057117.db2.gz QYUMMTMHZKJJTI-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575504036 949057128 /nfs/dbraw/zinc/05/71/28/949057128.db2.gz QYUMMTMHZKJJTI-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575503990 949058413 /nfs/dbraw/zinc/05/84/13/949058413.db2.gz QPVRMRLOEZOCJY-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575503990 949058432 /nfs/dbraw/zinc/05/84/32/949058432.db2.gz QPVRMRLOEZOCJY-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574092320 949058716 /nfs/dbraw/zinc/05/87/16/949058716.db2.gz NUBPZQJPHOCWFG-ZIAGYGMSSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575504047 949059091 /nfs/dbraw/zinc/05/90/91/949059091.db2.gz RAXQRYFYQQALJE-VXGBXAGGSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575504047 949059108 /nfs/dbraw/zinc/05/91/08/949059108.db2.gz RAXQRYFYQQALJE-VXGBXAGGSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574928620 949060386 /nfs/dbraw/zinc/06/03/86/949060386.db2.gz PRBNWCDYLBTBOC-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574928620 949060407 /nfs/dbraw/zinc/06/04/07/949060407.db2.gz PRBNWCDYLBTBOC-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574928692 949065492 /nfs/dbraw/zinc/06/54/92/949065492.db2.gz QUOCBUBBHWOIKD-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574928692 949065513 /nfs/dbraw/zinc/06/55/13/949065513.db2.gz QUOCBUBBHWOIKD-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574928959 949069729 /nfs/dbraw/zinc/06/97/29/949069729.db2.gz ULAJACJYLWFXPD-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574928959 949069750 /nfs/dbraw/zinc/06/97/50/949069750.db2.gz ULAJACJYLWFXPD-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575504444 949072201 /nfs/dbraw/zinc/07/22/01/949072201.db2.gz UOQYICSBSMSWLD-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575504444 949072217 /nfs/dbraw/zinc/07/22/17/949072217.db2.gz UOQYICSBSMSWLD-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573779877 949073510 /nfs/dbraw/zinc/07/35/10/949073510.db2.gz OPGCQCBZPRLKNE-HNNXBMFYSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573779877 949073530 /nfs/dbraw/zinc/07/35/30/949073530.db2.gz OPGCQCBZPRLKNE-HNNXBMFYSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574441735 949073508 /nfs/dbraw/zinc/07/35/08/949073508.db2.gz VGKFMPUBYYLCRL-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574441735 949073526 /nfs/dbraw/zinc/07/35/26/949073526.db2.gz VGKFMPUBYYLCRL-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575504474 949074244 /nfs/dbraw/zinc/07/42/44/949074244.db2.gz VKCQPKRNPNFVDI-GFCCVEGCSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575504474 949074262 /nfs/dbraw/zinc/07/42/62/949074262.db2.gz VKCQPKRNPNFVDI-GFCCVEGCSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575504442 949074481 /nfs/dbraw/zinc/07/44/81/949074481.db2.gz UOQYICSBSMSWLD-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575504442 949074504 /nfs/dbraw/zinc/07/45/04/949074504.db2.gz UOQYICSBSMSWLD-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575504457 949076269 /nfs/dbraw/zinc/07/62/69/949076269.db2.gz UXKSNUGKMQOIGR-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575504457 949076288 /nfs/dbraw/zinc/07/62/88/949076288.db2.gz UXKSNUGKMQOIGR-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574929196 949080381 /nfs/dbraw/zinc/08/03/81/949080381.db2.gz ARACVGCZTVBGAD-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574929196 949080402 /nfs/dbraw/zinc/08/04/02/949080402.db2.gz ARACVGCZTVBGAD-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574929160 949083123 /nfs/dbraw/zinc/08/31/23/949083123.db2.gz ZRUXDPUBQMRVHM-NSHDSACASA-N -1 1 389.464 0.373 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574929160 949083104 /nfs/dbraw/zinc/08/31/04/949083104.db2.gz ZRUXDPUBQMRVHM-NSHDSACASA-N -1 1 389.464 0.373 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573780234 949085787 /nfs/dbraw/zinc/08/57/87/949085787.db2.gz TZWGXFJFGKGISE-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573780234 949085807 /nfs/dbraw/zinc/08/58/07/949085807.db2.gz TZWGXFJFGKGISE-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CCS(C)(=O)=O)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574694705 949090092 /nfs/dbraw/zinc/09/00/92/949090092.db2.gz UVZADXJFQCHFGI-YFKPBYRVSA-N -1 1 379.855 0.921 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249262 949094352 /nfs/dbraw/zinc/09/43/52/949094352.db2.gz YOPJQXCEOTZIMU-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249262 949094370 /nfs/dbraw/zinc/09/43/70/949094370.db2.gz YOPJQXCEOTZIMU-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H](C)CC(N)=O ZINC001574695144 949102923 /nfs/dbraw/zinc/10/29/23/949102923.db2.gz CUDGMVSMKKSOJL-BQBZGAKWSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H](C)CC(N)=O ZINC001574695144 949102933 /nfs/dbraw/zinc/10/29/33/949102933.db2.gz CUDGMVSMKKSOJL-BQBZGAKWSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@H](NC(=O)C(N)=O)[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575250069 949105550 /nfs/dbraw/zinc/10/55/50/949105550.db2.gz CYUSUAYUAHUGHR-BQBZGAKWSA-N -1 1 384.853 0.183 20 0 GCADMM C[C@H](NC(=O)C(N)=O)[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575250069 949105536 /nfs/dbraw/zinc/10/55/36/949105536.db2.gz CYUSUAYUAHUGHR-BQBZGAKWSA-N -1 1 384.853 0.183 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(F)F ZINC001573781586 949108027 /nfs/dbraw/zinc/10/80/27/949108027.db2.gz JGBSJXQXELZPFN-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(F)F ZINC001573781586 949108035 /nfs/dbraw/zinc/10/80/35/949108035.db2.gz JGBSJXQXELZPFN-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001574695350 949108961 /nfs/dbraw/zinc/10/89/61/949108961.db2.gz GCXFNDMLLGBYRZ-APPDUMDISA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001574695350 949108984 /nfs/dbraw/zinc/10/89/84/949108984.db2.gz GCXFNDMLLGBYRZ-APPDUMDISA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574695450 949110659 /nfs/dbraw/zinc/11/06/59/949110659.db2.gz HQIBDWKNOFMQBL-VIFPVBQESA-N -1 1 386.424 0.019 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574695450 949110672 /nfs/dbraw/zinc/11/06/72/949110672.db2.gz HQIBDWKNOFMQBL-VIFPVBQESA-N -1 1 386.424 0.019 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574696403 949130512 /nfs/dbraw/zinc/13/05/12/949130512.db2.gz POOGGZCRORCPNQ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574696403 949130527 /nfs/dbraw/zinc/13/05/27/949130527.db2.gz POOGGZCRORCPNQ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573782756 949131794 /nfs/dbraw/zinc/13/17/94/949131794.db2.gz XSUGFFPWVNEVBZ-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574696612 949133160 /nfs/dbraw/zinc/13/31/60/949133160.db2.gz SFZRWHZEQWWHBR-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574696612 949133176 /nfs/dbraw/zinc/13/31/76/949133176.db2.gz SFZRWHZEQWWHBR-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001574696801 949141817 /nfs/dbraw/zinc/14/18/17/949141817.db2.gz UQUARHVKQJTMJC-JGVFFNPUSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001574696801 949141828 /nfs/dbraw/zinc/14/18/28/949141828.db2.gz UQUARHVKQJTMJC-JGVFFNPUSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934033 949147197 /nfs/dbraw/zinc/14/71/97/949147197.db2.gz ASNCFSPBVREYFM-SECBINFHSA-N -1 1 390.354 0.352 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574697553 949156631 /nfs/dbraw/zinc/15/66/31/949156631.db2.gz AYUKWEGOLMUDIZ-BQBZGAKWSA-N -1 1 386.869 0.747 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC001574095862 949157542 /nfs/dbraw/zinc/15/75/42/949157542.db2.gz ZOQCOSGIZICJJX-UKRRQHHQSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC001574095862 949157549 /nfs/dbraw/zinc/15/75/49/949157549.db2.gz ZOQCOSGIZICJJX-UKRRQHHQSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574934407 949160444 /nfs/dbraw/zinc/16/04/44/949160444.db2.gz HKVJTUJYXKQPSD-NSHDSACASA-N -1 1 386.391 0.461 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934752 949174634 /nfs/dbraw/zinc/17/46/34/949174634.db2.gz PVSJXHVHRFCWBX-SECBINFHSA-N -1 1 390.354 0.352 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574448193 949178724 /nfs/dbraw/zinc/17/87/24/949178724.db2.gz FKRLREPQKSXTBR-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574448193 949178735 /nfs/dbraw/zinc/17/87/35/949178735.db2.gz FKRLREPQKSXTBR-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934956 949188432 /nfs/dbraw/zinc/18/84/32/949188432.db2.gz VXVOOSSJZOWYBZ-JTQLQIEISA-N -1 1 388.819 0.728 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574448833 949193559 /nfs/dbraw/zinc/19/35/59/949193559.db2.gz NAMADUBSZRHXQV-LBPRGKRZSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574935110 949196629 /nfs/dbraw/zinc/19/66/29/949196629.db2.gz ZICUJRZYEJCODA-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574935110 949196640 /nfs/dbraw/zinc/19/66/40/949196640.db2.gz ZICUJRZYEJCODA-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574698514 949196926 /nfs/dbraw/zinc/19/69/26/949196926.db2.gz MGGACKHOSUFWOX-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574698514 949196938 /nfs/dbraw/zinc/19/69/38/949196938.db2.gz MGGACKHOSUFWOX-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574102720 949204231 /nfs/dbraw/zinc/20/42/31/949204231.db2.gz ABDSKQHDHSPTKI-FZKQIMNGSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574102720 949204249 /nfs/dbraw/zinc/20/42/49/949204249.db2.gz ABDSKQHDHSPTKI-FZKQIMNGSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573788622 949204768 /nfs/dbraw/zinc/20/47/68/949204768.db2.gz PRHBNBIVWXIDLJ-LURJTMIESA-N -1 1 384.853 0.183 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573788622 949204784 /nfs/dbraw/zinc/20/47/84/949204784.db2.gz PRHBNBIVWXIDLJ-LURJTMIESA-N -1 1 384.853 0.183 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574102737 949205435 /nfs/dbraw/zinc/20/54/35/949205435.db2.gz AGXJYUWTERSONL-SCLBCKFNSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574102737 949205452 /nfs/dbraw/zinc/20/54/52/949205452.db2.gz AGXJYUWTERSONL-SCLBCKFNSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C(N)=O)C(=O)NCCC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573788615 949205872 /nfs/dbraw/zinc/20/58/72/949205872.db2.gz PEXVQXVXKIRAIE-LLVKDONJSA-N -1 1 387.448 0.033 20 0 GCADMM CC(C)(C(N)=O)C(=O)NCCC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573788615 949205889 /nfs/dbraw/zinc/20/58/89/949205889.db2.gz PEXVQXVXKIRAIE-LLVKDONJSA-N -1 1 387.448 0.033 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574451174 949218249 /nfs/dbraw/zinc/21/82/49/949218249.db2.gz FYBKIVOZOLRKSG-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574451174 949218272 /nfs/dbraw/zinc/21/82/72/949218272.db2.gz FYBKIVOZOLRKSG-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001575853679 949220723 /nfs/dbraw/zinc/22/07/23/949220723.db2.gz XIFQDWYSBVOHKS-NEPJUHHUSA-N -1 1 399.459 0.351 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001575853679 949220742 /nfs/dbraw/zinc/22/07/42/949220742.db2.gz XIFQDWYSBVOHKS-NEPJUHHUSA-N -1 1 399.459 0.351 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001575854073 949227871 /nfs/dbraw/zinc/22/78/71/949227871.db2.gz RQFBUVMFZSVUMY-UHFFFAOYSA-N -1 1 378.387 0.917 20 0 GCADMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC001589604754 949229835 /nfs/dbraw/zinc/22/98/35/949229835.db2.gz GTHVSXSACIBVBK-SFHVURJKSA-N -1 1 380.445 0.947 20 0 GCADMM CC1(Nc2ccc(-c3nn[nH]n3)nn2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001575854399 949231894 /nfs/dbraw/zinc/23/18/94/949231894.db2.gz UKTZNNZMEBFSTI-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574699214 949233317 /nfs/dbraw/zinc/23/33/17/949233317.db2.gz UFPJFDDBGVYUIV-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574699214 949233340 /nfs/dbraw/zinc/23/33/40/949233340.db2.gz UFPJFDDBGVYUIV-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574938115 949235426 /nfs/dbraw/zinc/23/54/26/949235426.db2.gz SFACTOMZVMGNEM-JTQLQIEISA-N -1 1 383.416 0.706 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574938115 949235446 /nfs/dbraw/zinc/23/54/46/949235446.db2.gz SFACTOMZVMGNEM-JTQLQIEISA-N -1 1 383.416 0.706 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574451732 949241863 /nfs/dbraw/zinc/24/18/63/949241863.db2.gz WGGPTVVTIIBXMP-GDNZZTSVSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574451732 949241877 /nfs/dbraw/zinc/24/18/77/949241877.db2.gz WGGPTVVTIIBXMP-GDNZZTSVSA-N -1 1 381.400 0.633 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001575855933 949244351 /nfs/dbraw/zinc/24/43/51/949244351.db2.gz BSNFCRFGDZDZOT-LBPRGKRZSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001575855933 949244366 /nfs/dbraw/zinc/24/43/66/949244366.db2.gz BSNFCRFGDZDZOT-LBPRGKRZSA-N -1 1 388.432 0.255 20 0 GCADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574938497 949246758 /nfs/dbraw/zinc/24/67/58/949246758.db2.gz XCOODSQKNHHKOG-JTQLQIEISA-N -1 1 388.382 0.764 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001575856543 949247347 /nfs/dbraw/zinc/24/73/47/949247347.db2.gz GXBOFWPHFKXAJQ-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001575856543 949247358 /nfs/dbraw/zinc/24/73/58/949247358.db2.gz GXBOFWPHFKXAJQ-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM C[C@H]1CCC[C@@H](OCC(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576152304 949250663 /nfs/dbraw/zinc/25/06/63/949250663.db2.gz INDRYEYHZZIYJE-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCC[C@@H](OCC(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576152304 949250693 /nfs/dbraw/zinc/25/06/93/949250693.db2.gz INDRYEYHZZIYJE-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574452530 949263658 /nfs/dbraw/zinc/26/36/58/949263658.db2.gz MJVFNHDATUDZFB-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574452530 949263676 /nfs/dbraw/zinc/26/36/76/949263676.db2.gz MJVFNHDATUDZFB-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574940394 949264400 /nfs/dbraw/zinc/26/44/00/949264400.db2.gz DXKDBTVFYIFUSB-JTQLQIEISA-N -1 1 388.382 0.764 20 0 GCADMM CC(C)c1scnc1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574452820 949266809 /nfs/dbraw/zinc/26/68/09/949266809.db2.gz NHZYGEOKQDNOCX-UHFFFAOYSA-N -1 1 376.402 0.738 20 0 GCADMM CC(C)n1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574452816 949267821 /nfs/dbraw/zinc/26/78/21/949267821.db2.gz NFHUFZHNGKXECV-STQMWFEESA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574452816 949267841 /nfs/dbraw/zinc/26/78/41/949267841.db2.gz NFHUFZHNGKXECV-STQMWFEESA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452541 949270190 /nfs/dbraw/zinc/27/01/90/949270190.db2.gz MRSBOOFJANNFNS-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452541 949270210 /nfs/dbraw/zinc/27/02/10/949270210.db2.gz MRSBOOFJANNFNS-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001575857573 949270999 /nfs/dbraw/zinc/27/09/99/949270999.db2.gz SSGGDLSILMETON-SGTLLEGYSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001575857573 949271023 /nfs/dbraw/zinc/27/10/23/949271023.db2.gz SSGGDLSILMETON-SGTLLEGYSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001575857569 949271675 /nfs/dbraw/zinc/27/16/75/949271675.db2.gz SSGGDLSILMETON-KZULUSFZSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001575857569 949271694 /nfs/dbraw/zinc/27/16/94/949271694.db2.gz SSGGDLSILMETON-KZULUSFZSA-N -1 1 384.444 0.876 20 0 GCADMM CC(C)n1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574452999 949281353 /nfs/dbraw/zinc/28/13/53/949281353.db2.gz VDZNBGMGEMMWMD-STQMWFEESA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574452999 949281376 /nfs/dbraw/zinc/28/13/76/949281376.db2.gz VDZNBGMGEMMWMD-STQMWFEESA-N -1 1 380.416 0.537 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c[nH]nc2c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574940952 949283917 /nfs/dbraw/zinc/28/39/17/949283917.db2.gz MWJUBGAYRBSWLG-LLVKDONJSA-N -1 1 392.427 0.717 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c[nH]nc2c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574940952 949283938 /nfs/dbraw/zinc/28/39/38/949283938.db2.gz MWJUBGAYRBSWLG-LLVKDONJSA-N -1 1 392.427 0.717 20 0 GCADMM CC(C)n1cc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c(=O)[nH]c1=O ZINC001574454772 949289338 /nfs/dbraw/zinc/28/93/38/949289338.db2.gz DAPFIGLRDHDAHU-UHFFFAOYSA-N -1 1 391.338 0.918 20 0 GCADMM CC(C)n1cc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c(=O)[nH]c1=O ZINC001574454772 949289358 /nfs/dbraw/zinc/28/93/58/949289358.db2.gz DAPFIGLRDHDAHU-UHFFFAOYSA-N -1 1 391.338 0.918 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574455644 949310938 /nfs/dbraw/zinc/31/09/38/949310938.db2.gz TUIWENYZNSVYRM-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574455644 949310961 /nfs/dbraw/zinc/31/09/61/949310961.db2.gz TUIWENYZNSVYRM-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574455660 949311919 /nfs/dbraw/zinc/31/19/19/949311919.db2.gz UVZMWAIUMNFPQC-AULYBMBSSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)n1 ZINC001574457220 949316720 /nfs/dbraw/zinc/31/67/20/949316720.db2.gz CDHMAUDLUYWPEC-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC001574457220 949316746 /nfs/dbraw/zinc/31/67/46/949316746.db2.gz CDHMAUDLUYWPEC-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457237 949317290 /nfs/dbraw/zinc/31/72/90/949317290.db2.gz CZAFCJHIWYLENB-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457237 949317308 /nfs/dbraw/zinc/31/73/08/949317308.db2.gz CZAFCJHIWYLENB-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2n[nH]cc2c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574942119 949332459 /nfs/dbraw/zinc/33/24/59/949332459.db2.gz VUJRVFNRUKCVJS-LLVKDONJSA-N -1 1 392.427 0.940 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2n[nH]cc2c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574942119 949332484 /nfs/dbraw/zinc/33/24/84/949332484.db2.gz VUJRVFNRUKCVJS-LLVKDONJSA-N -1 1 392.427 0.940 20 0 GCADMM CC(C)n1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574457667 949332741 /nfs/dbraw/zinc/33/27/41/949332741.db2.gz MIBYVOSWWHPFMY-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2n[nH]cc2c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574942120 949334595 /nfs/dbraw/zinc/33/45/95/949334595.db2.gz VUJRVFNRUKCVJS-NSHDSACASA-N -1 1 392.427 0.940 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2n[nH]cc2c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574942120 949334616 /nfs/dbraw/zinc/33/46/16/949334616.db2.gz VUJRVFNRUKCVJS-NSHDSACASA-N -1 1 392.427 0.940 20 0 GCADMM CC(C)CC(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001574109977 949342793 /nfs/dbraw/zinc/34/27/93/949342793.db2.gz KPOUWUWBFJTNQQ-AWEZNQCLSA-N -1 1 385.476 0.426 20 0 GCADMM CC1(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575525460 949342910 /nfs/dbraw/zinc/34/29/10/949342910.db2.gz OANMCFJMZNOZOL-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM CC1(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575525460 949342938 /nfs/dbraw/zinc/34/29/38/949342938.db2.gz OANMCFJMZNOZOL-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574942296 949350110 /nfs/dbraw/zinc/35/01/10/949350110.db2.gz XYASMOXAOWQBDP-ZDUSSCGKSA-N -1 1 392.467 0.974 20 0 GCADMM CC(C)CC(=O)N1CCN([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001574110237 949356375 /nfs/dbraw/zinc/35/63/75/949356375.db2.gz VUUNMMCUFPCNGW-CQSZACIVSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)n1 ZINC001574459455 949356624 /nfs/dbraw/zinc/35/66/24/949356624.db2.gz HFDVROAULBVOFK-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)n1 ZINC001574459455 949356646 /nfs/dbraw/zinc/35/66/46/949356646.db2.gz HFDVROAULBVOFK-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574459441 949356881 /nfs/dbraw/zinc/35/68/81/949356881.db2.gz GPAHALPUISODKE-UHFFFAOYSA-N -1 1 384.448 0.571 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574459441 949356899 /nfs/dbraw/zinc/35/68/99/949356899.db2.gz GPAHALPUISODKE-UHFFFAOYSA-N -1 1 384.448 0.571 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260635 949356987 /nfs/dbraw/zinc/35/69/87/949356987.db2.gz WPPJXTOLCICJOP-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260635 949357010 /nfs/dbraw/zinc/35/70/10/949357010.db2.gz WPPJXTOLCICJOP-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574942464 949358916 /nfs/dbraw/zinc/35/89/16/949358916.db2.gz PAAIXAPSGBRBLM-LBPRGKRZSA-N -1 1 384.448 0.841 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574942464 949358932 /nfs/dbraw/zinc/35/89/32/949358932.db2.gz PAAIXAPSGBRBLM-LBPRGKRZSA-N -1 1 384.448 0.841 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574459477 949361583 /nfs/dbraw/zinc/36/15/83/949361583.db2.gz IEVAQPMYRFEXNN-ZDUSSCGKSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574459477 949361608 /nfs/dbraw/zinc/36/16/08/949361608.db2.gz IEVAQPMYRFEXNN-ZDUSSCGKSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001574459892 949365502 /nfs/dbraw/zinc/36/55/02/949365502.db2.gz OIAFQMWTCSFFIZ-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001574459892 949365523 /nfs/dbraw/zinc/36/55/23/949365523.db2.gz OIAFQMWTCSFFIZ-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001574459906 949367966 /nfs/dbraw/zinc/36/79/66/949367966.db2.gz PCIBYKRVOZNZRU-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001574459906 949367987 /nfs/dbraw/zinc/36/79/87/949367987.db2.gz PCIBYKRVOZNZRU-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575260889 949370689 /nfs/dbraw/zinc/37/06/89/949370689.db2.gz YFRYVXIHXMAGGO-OCCSQVGLSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575260889 949370711 /nfs/dbraw/zinc/37/07/11/949370711.db2.gz YFRYVXIHXMAGGO-OCCSQVGLSA-N -1 1 384.444 0.725 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001574460417 949377920 /nfs/dbraw/zinc/37/79/20/949377920.db2.gz UJZFLYAKYCBGCJ-UHFFFAOYSA-N -1 1 382.432 0.159 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574460669 949378500 /nfs/dbraw/zinc/37/85/00/949378500.db2.gz WNYYIPXFQQOACR-ZDUSSCGKSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)Cc1ccn(C)n1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574943874 949385184 /nfs/dbraw/zinc/38/51/84/949385184.db2.gz ZOCRXAZNWSMYND-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@H](CNC(=O)Cc1ccn(C)n1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574943874 949385205 /nfs/dbraw/zinc/38/52/05/949385205.db2.gz ZOCRXAZNWSMYND-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573800005 949386287 /nfs/dbraw/zinc/38/62/87/949386287.db2.gz TZVNJHJAYGTSDV-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573800005 949386309 /nfs/dbraw/zinc/38/63/09/949386309.db2.gz TZVNJHJAYGTSDV-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573800239 949388165 /nfs/dbraw/zinc/38/81/65/949388165.db2.gz UZJUHAZAWZMQPY-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573800239 949388185 /nfs/dbraw/zinc/38/81/85/949388185.db2.gz UZJUHAZAWZMQPY-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575528188 949389763 /nfs/dbraw/zinc/38/97/63/949389763.db2.gz OCDREQNPCGVXTA-BETUJISGSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575528188 949389781 /nfs/dbraw/zinc/38/97/81/949389781.db2.gz OCDREQNPCGVXTA-BETUJISGSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574464146 949398528 /nfs/dbraw/zinc/39/85/28/949398528.db2.gz GYFGLBVFIQWYQS-IMRBUKKESA-N -1 1 379.428 0.904 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574464146 949398550 /nfs/dbraw/zinc/39/85/50/949398550.db2.gz GYFGLBVFIQWYQS-IMRBUKKESA-N -1 1 379.428 0.904 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn(C)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944879 949403400 /nfs/dbraw/zinc/40/34/00/949403400.db2.gz HSOVSXBCAHBZKY-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn(C)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944879 949403409 /nfs/dbraw/zinc/40/34/09/949403409.db2.gz HSOVSXBCAHBZKY-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574464648 949419729 /nfs/dbraw/zinc/41/97/29/949419729.db2.gz PVKXMBUHRWFUIJ-JYAVWHMHSA-N -1 1 379.428 0.904 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574464608 949420640 /nfs/dbraw/zinc/42/06/40/949420640.db2.gz OAYDGSOFCALZKS-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574464608 949420652 /nfs/dbraw/zinc/42/06/52/949420652.db2.gz OAYDGSOFCALZKS-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575264567 949430311 /nfs/dbraw/zinc/43/03/11/949430311.db2.gz OYOMIVHZVFFVEF-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575264567 949430326 /nfs/dbraw/zinc/43/03/26/949430326.db2.gz OYOMIVHZVFFVEF-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573803161 949432047 /nfs/dbraw/zinc/43/20/47/949432047.db2.gz LMFWHHNJGMLMOT-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573803161 949432059 /nfs/dbraw/zinc/43/20/59/949432059.db2.gz LMFWHHNJGMLMOT-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001575867135 949433997 /nfs/dbraw/zinc/43/39/97/949433997.db2.gz YCAYPTYJLHQZIS-SNVBAGLBSA-N -1 1 385.409 0.793 20 0 GCADMM Cc1[nH][nH]c(=O)c1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001575867455 949438454 /nfs/dbraw/zinc/43/84/54/949438454.db2.gz YQCXZMFMYUBXRZ-GFCCVEGCSA-N -1 1 386.416 0.145 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1nccnc1-c1nnn[n-]1 ZINC001574705830 949438480 /nfs/dbraw/zinc/43/84/80/949438480.db2.gz JTIKUNSQEYSFCG-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1nccnc1-c1nn[n-]n1 ZINC001574705830 949438489 /nfs/dbraw/zinc/43/84/89/949438489.db2.gz JTIKUNSQEYSFCG-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573803309 949438658 /nfs/dbraw/zinc/43/86/58/949438658.db2.gz MYFAZIBSVROUSN-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573803309 949438665 /nfs/dbraw/zinc/43/86/65/949438665.db2.gz MYFAZIBSVROUSN-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574947472 949447641 /nfs/dbraw/zinc/44/76/41/949447641.db2.gz BCCMGGKDAMGNNZ-VIFPVBQESA-N -1 1 376.812 0.148 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574947472 949447651 /nfs/dbraw/zinc/44/76/51/949447651.db2.gz BCCMGGKDAMGNNZ-VIFPVBQESA-N -1 1 376.812 0.148 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575535625 949455150 /nfs/dbraw/zinc/45/51/50/949455150.db2.gz ZYNBCZQKHWDYJJ-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575535625 949455157 /nfs/dbraw/zinc/45/51/57/949455157.db2.gz ZYNBCZQKHWDYJJ-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574948291 949456786 /nfs/dbraw/zinc/45/67/86/949456786.db2.gz HRSODLLJFUGFQO-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574948291 949456811 /nfs/dbraw/zinc/45/68/11/949456811.db2.gz HRSODLLJFUGFQO-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1N ZINC001574468122 949457584 /nfs/dbraw/zinc/45/75/84/949457584.db2.gz KSINWCKYWGNUCZ-UHFFFAOYSA-N -1 1 387.408 0.038 20 0 GCADMM CC(C)n1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1N ZINC001574468122 949457594 /nfs/dbraw/zinc/45/75/94/949457594.db2.gz KSINWCKYWGNUCZ-UHFFFAOYSA-N -1 1 387.408 0.038 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574948275 949458333 /nfs/dbraw/zinc/45/83/33/949458333.db2.gz HLFWCOINMFGCPG-SECBINFHSA-N -1 1 376.812 0.371 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574948275 949458346 /nfs/dbraw/zinc/45/83/46/949458346.db2.gz HLFWCOINMFGCPG-SECBINFHSA-N -1 1 376.812 0.371 20 0 GCADMM CC1(C(=O)N2CC[C@]3(C2)CN(c2cnc(-c4nnn[n-]4)cn2)CCO3)CCC1 ZINC001575536787 949475496 /nfs/dbraw/zinc/47/54/96/949475496.db2.gz LVPNCCSNCZCSIA-GOSISDBHSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CC[C@]3(C2)CN(c2cnc(-c4nn[n-]n4)cn2)CCO3)CCC1 ZINC001575536787 949475512 /nfs/dbraw/zinc/47/55/12/949475512.db2.gz LVPNCCSNCZCSIA-GOSISDBHSA-N -1 1 384.444 0.655 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574469811 949482060 /nfs/dbraw/zinc/48/20/60/949482060.db2.gz HETIZCOUISMBHS-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574469811 949482080 /nfs/dbraw/zinc/48/20/80/949482080.db2.gz HETIZCOUISMBHS-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949108 949482163 /nfs/dbraw/zinc/48/21/63/949482163.db2.gz QSHVKLWNXBEKBK-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1nccc1C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574469844 949483847 /nfs/dbraw/zinc/48/38/47/949483847.db2.gz IJXYVYVEDBYEBW-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574469844 949483858 /nfs/dbraw/zinc/48/38/58/949483858.db2.gz IJXYVYVEDBYEBW-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575870287 949485009 /nfs/dbraw/zinc/48/50/09/949485009.db2.gz UHMSSIUAVORNLR-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575870287 949485024 /nfs/dbraw/zinc/48/50/24/949485024.db2.gz UHMSSIUAVORNLR-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574949169 949486078 /nfs/dbraw/zinc/48/60/78/949486078.db2.gz RKUGLWMFXRYZKR-NSHDSACASA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574949169 949486090 /nfs/dbraw/zinc/48/60/90/949486090.db2.gz RKUGLWMFXRYZKR-NSHDSACASA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574949150 949486185 /nfs/dbraw/zinc/48/61/85/949486185.db2.gz RFJNLEQJWPEZGY-NSHDSACASA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574949150 949486196 /nfs/dbraw/zinc/48/61/96/949486196.db2.gz RFJNLEQJWPEZGY-NSHDSACASA-N -1 1 382.432 0.595 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574118483 949494487 /nfs/dbraw/zinc/49/44/87/949494487.db2.gz GNGCOZGPNQFSPJ-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574118483 949494506 /nfs/dbraw/zinc/49/45/06/949494506.db2.gz GNGCOZGPNQFSPJ-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001574949618 949499734 /nfs/dbraw/zinc/49/97/34/949499734.db2.gz YRACZEKZIOPBSY-VIFPVBQESA-N -1 1 392.374 0.655 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001574949618 949499750 /nfs/dbraw/zinc/49/97/50/949499750.db2.gz YRACZEKZIOPBSY-VIFPVBQESA-N -1 1 392.374 0.655 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccn[nH]1 ZINC001576158497 949503006 /nfs/dbraw/zinc/50/30/06/949503006.db2.gz TXAACAOXCHQUNB-DIFFPNOSSA-N -1 1 382.432 0.593 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnon1 ZINC001576159367 949514640 /nfs/dbraw/zinc/51/46/40/949514640.db2.gz WVIWKJMNQYUNKE-MGPLVRAMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnon1 ZINC001576159367 949514658 /nfs/dbraw/zinc/51/46/58/949514658.db2.gz WVIWKJMNQYUNKE-MGPLVRAMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574471153 949526670 /nfs/dbraw/zinc/52/66/70/949526670.db2.gz KLGNFZCRTDSOCC-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574471153 949526684 /nfs/dbraw/zinc/52/66/84/949526684.db2.gz KLGNFZCRTDSOCC-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574471154 949526880 /nfs/dbraw/zinc/52/68/80/949526880.db2.gz KLGNFZCRTDSOCC-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574471154 949526895 /nfs/dbraw/zinc/52/68/95/949526895.db2.gz KLGNFZCRTDSOCC-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575269138 949536402 /nfs/dbraw/zinc/53/64/02/949536402.db2.gz RIATWURRLZXJJG-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575269138 949536419 /nfs/dbraw/zinc/53/64/19/949536419.db2.gz RIATWURRLZXJJG-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574471900 949540618 /nfs/dbraw/zinc/54/06/18/949540618.db2.gz OVEYMQLVVIMPDP-PNESKVBLSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CCOC1 ZINC001575539152 949541327 /nfs/dbraw/zinc/54/13/27/949541327.db2.gz NHIUYBGHIOBPMD-MSOLQXFVSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CCOC1 ZINC001575539152 949541345 /nfs/dbraw/zinc/54/13/45/949541345.db2.gz NHIUYBGHIOBPMD-MSOLQXFVSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711489 949541990 /nfs/dbraw/zinc/54/19/90/949541990.db2.gz HTIGXQWSGMTNGN-YPMHNXCESA-N -1 1 380.412 0.514 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574950744 949542141 /nfs/dbraw/zinc/54/21/41/949542141.db2.gz TXDACIXRWHITBK-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574950744 949542159 /nfs/dbraw/zinc/54/21/59/949542159.db2.gz TXDACIXRWHITBK-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711633 949545648 /nfs/dbraw/zinc/54/56/48/949545648.db2.gz JQOBCVMMKTVXTM-QMTHXVAHSA-N -1 1 382.403 0.816 20 0 GCADMM CC(C)CC(=O)NCc1nc(CNc2ccc(-c3nn[n-]n3)nn2)cc(=O)[nH]1 ZINC001574123288 949551655 /nfs/dbraw/zinc/55/16/55/949551655.db2.gz RIEWVZRSWSARPY-UHFFFAOYSA-N -1 1 384.404 0.427 20 0 GCADMM CC1(C(=O)N2CCC[C@H](N(CCO)c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001575539573 949553996 /nfs/dbraw/zinc/55/39/96/949553996.db2.gz QXNPIZHLMTYAAM-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC[C@H](N(CCO)c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001575539573 949554013 /nfs/dbraw/zinc/55/40/13/949554013.db2.gz QXNPIZHLMTYAAM-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574472959 949557719 /nfs/dbraw/zinc/55/77/19/949557719.db2.gz WXQJPFSAOVZSGE-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574472959 949557729 /nfs/dbraw/zinc/55/77/29/949557729.db2.gz WXQJPFSAOVZSGE-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711869 949559510 /nfs/dbraw/zinc/55/95/10/949559510.db2.gz NJIGLEUOPHFSME-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711869 949559519 /nfs/dbraw/zinc/55/95/19/949559519.db2.gz NJIGLEUOPHFSME-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574711836 949560140 /nfs/dbraw/zinc/56/01/40/949560140.db2.gz MXOXQSVEBDRSRG-WDSKDSINSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574711836 949560151 /nfs/dbraw/zinc/56/01/51/949560151.db2.gz MXOXQSVEBDRSRG-WDSKDSINSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872932 949562550 /nfs/dbraw/zinc/56/25/50/949562550.db2.gz MGSSUFVZNCXWOG-NEPJUHHUSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872932 949562562 /nfs/dbraw/zinc/56/25/62/949562562.db2.gz MGSSUFVZNCXWOG-NEPJUHHUSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164941 949563377 /nfs/dbraw/zinc/56/33/77/949563377.db2.gz INYUKIJRJGFHCK-OCCSQVGLSA-N -1 1 384.444 0.464 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576165360 949567539 /nfs/dbraw/zinc/56/75/39/949567539.db2.gz JXEROZMTZKCQOT-AAVRWANBSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712006 949569887 /nfs/dbraw/zinc/56/98/87/949569887.db2.gz PNSRNWSUXBNYSO-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712006 949569895 /nfs/dbraw/zinc/56/98/95/949569895.db2.gz PNSRNWSUXBNYSO-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873235 949574226 /nfs/dbraw/zinc/57/42/26/949574226.db2.gz AHRVOLOGAOIKSO-UWVGGRQHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873235 949574241 /nfs/dbraw/zinc/57/42/41/949574241.db2.gz AHRVOLOGAOIKSO-UWVGGRQHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574475993 949580938 /nfs/dbraw/zinc/58/09/38/949580938.db2.gz DXDIWFYJZOJQIT-SNVBAGLBSA-N -1 1 390.452 0.000 20 0 GCADMM C[C@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574475993 949580945 /nfs/dbraw/zinc/58/09/45/949580945.db2.gz DXDIWFYJZOJQIT-SNVBAGLBSA-N -1 1 390.452 0.000 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712732 949583845 /nfs/dbraw/zinc/58/38/45/949583845.db2.gz UBKRTFPFFWIGBQ-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712732 949583860 /nfs/dbraw/zinc/58/38/60/949583860.db2.gz UBKRTFPFFWIGBQ-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574712686 949583953 /nfs/dbraw/zinc/58/39/53/949583953.db2.gz SXFQWNZHVCTEAJ-RNFRBKRXSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574712686 949583965 /nfs/dbraw/zinc/58/39/65/949583965.db2.gz SXFQWNZHVCTEAJ-RNFRBKRXSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712697 949584039 /nfs/dbraw/zinc/58/40/39/949584039.db2.gz SYGWWLHQPHGWSI-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712697 949584062 /nfs/dbraw/zinc/58/40/62/949584062.db2.gz SYGWWLHQPHGWSI-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712731 949584193 /nfs/dbraw/zinc/58/41/93/949584193.db2.gz UBKRTFPFFWIGBQ-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712731 949584207 /nfs/dbraw/zinc/58/42/07/949584207.db2.gz UBKRTFPFFWIGBQ-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)NC(N)=O ZINC001574475992 949584492 /nfs/dbraw/zinc/58/44/92/949584492.db2.gz DXDIWFYJZOJQIT-JTQLQIEISA-N -1 1 390.452 0.000 20 0 GCADMM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)NC(N)=O ZINC001574475992 949584507 /nfs/dbraw/zinc/58/45/07/949584507.db2.gz DXDIWFYJZOJQIT-JTQLQIEISA-N -1 1 390.452 0.000 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712730 949585137 /nfs/dbraw/zinc/58/51/37/949585137.db2.gz UBKRTFPFFWIGBQ-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712730 949585153 /nfs/dbraw/zinc/58/51/53/949585153.db2.gz UBKRTFPFFWIGBQ-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574712684 949586130 /nfs/dbraw/zinc/58/61/30/949586130.db2.gz SXFQWNZHVCTEAJ-BQBZGAKWSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574712684 949586147 /nfs/dbraw/zinc/58/61/47/949586147.db2.gz SXFQWNZHVCTEAJ-BQBZGAKWSA-N -1 1 384.853 0.372 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574125503 949590580 /nfs/dbraw/zinc/59/05/80/949590580.db2.gz QZGRIJXKKQJLLI-MCIGGMRASA-N -1 1 387.448 0.111 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574125503 949590603 /nfs/dbraw/zinc/59/06/03/949590603.db2.gz QZGRIJXKKQJLLI-MCIGGMRASA-N -1 1 387.448 0.111 20 0 GCADMM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270481 949592939 /nfs/dbraw/zinc/59/29/39/949592939.db2.gz CNHBITYGHCCPNK-QWRGUYRKSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270481 949592957 /nfs/dbraw/zinc/59/29/57/949592957.db2.gz CNHBITYGHCCPNK-QWRGUYRKSA-N -1 1 375.437 0.220 20 0 GCADMM CC(C)C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125562 949593348 /nfs/dbraw/zinc/59/33/48/949593348.db2.gz STVVWVRHLNOBJH-STQMWFEESA-N -1 1 384.448 0.479 20 0 GCADMM CC(C)C[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125836 949597422 /nfs/dbraw/zinc/59/74/22/949597422.db2.gz SZXDAGNNUROOAU-AWEZNQCLSA-N -1 1 384.448 0.693 20 0 GCADMM C[C@H](CC(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(N)=O ZINC001574476458 949602194 /nfs/dbraw/zinc/60/21/94/949602194.db2.gz CUJCEBLSEWYFQO-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574713442 949603578 /nfs/dbraw/zinc/60/35/78/949603578.db2.gz XNMBQMNLPXJLGO-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574126908 949605740 /nfs/dbraw/zinc/60/57/40/949605740.db2.gz APCMGBUNTIYRCB-GFCCVEGCSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574126908 949605755 /nfs/dbraw/zinc/60/57/55/949605755.db2.gz APCMGBUNTIYRCB-GFCCVEGCSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713717 949609676 /nfs/dbraw/zinc/60/96/76/949609676.db2.gz BOCWWHNJLMGFPM-CHWSQXEVSA-N -1 1 381.444 0.926 20 0 GCADMM C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874366 949610760 /nfs/dbraw/zinc/61/07/60/949610760.db2.gz GCZYGHRKWXDROT-VHSXEESVSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874366 949610776 /nfs/dbraw/zinc/61/07/76/949610776.db2.gz GCZYGHRKWXDROT-VHSXEESVSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874367 949611414 /nfs/dbraw/zinc/61/14/14/949611414.db2.gz GCZYGHRKWXDROT-ZJUUUORDSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874367 949611426 /nfs/dbraw/zinc/61/14/26/949611426.db2.gz GCZYGHRKWXDROT-ZJUUUORDSA-N -1 1 382.375 0.412 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001574127399 949613868 /nfs/dbraw/zinc/61/38/68/949613868.db2.gz HCQKHAYFSJOGKZ-GXTWGEPZSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001574127399 949613879 /nfs/dbraw/zinc/61/38/79/949613879.db2.gz HCQKHAYFSJOGKZ-GXTWGEPZSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574476670 949614988 /nfs/dbraw/zinc/61/49/88/949614988.db2.gz JCBPGTDDYQYYKT-QWHCGFSZSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574476670 949615000 /nfs/dbraw/zinc/61/50/00/949615000.db2.gz JCBPGTDDYQYYKT-QWHCGFSZSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874756 949618551 /nfs/dbraw/zinc/61/85/51/949618551.db2.gz GNZWIJPDHLORFP-AAEUAGOBSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874756 949618567 /nfs/dbraw/zinc/61/85/67/949618567.db2.gz GNZWIJPDHLORFP-AAEUAGOBSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874758 949618667 /nfs/dbraw/zinc/61/86/67/949618667.db2.gz GNZWIJPDHLORFP-WCQYABFASA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874758 949618678 /nfs/dbraw/zinc/61/86/78/949618678.db2.gz GNZWIJPDHLORFP-WCQYABFASA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001576167964 949622604 /nfs/dbraw/zinc/62/26/04/949622604.db2.gz ATXVDAVQSYBRBQ-JTQLQIEISA-N -1 1 384.487 0.855 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574714812 949633181 /nfs/dbraw/zinc/63/31/81/949633181.db2.gz GFHPGAHRDPNZCH-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574714812 949633192 /nfs/dbraw/zinc/63/31/92/949633192.db2.gz GFHPGAHRDPNZCH-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574714811 949634315 /nfs/dbraw/zinc/63/43/15/949634315.db2.gz GFHPGAHRDPNZCH-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574714811 949634328 /nfs/dbraw/zinc/63/43/28/949634328.db2.gz GFHPGAHRDPNZCH-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574476997 949634610 /nfs/dbraw/zinc/63/46/10/949634610.db2.gz JGDRKCHJURLAAA-CYBMUJFWSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574476997 949634625 /nfs/dbraw/zinc/63/46/25/949634625.db2.gz JGDRKCHJURLAAA-CYBMUJFWSA-N -1 1 385.432 0.342 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574129323 949640925 /nfs/dbraw/zinc/64/09/25/949640925.db2.gz TYDSKMWAVIEJRO-STQMWFEESA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573814646 949644280 /nfs/dbraw/zinc/64/42/80/949644280.db2.gz DWYHTJRWXDRRCW-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573814646 949644288 /nfs/dbraw/zinc/64/42/88/949644288.db2.gz DWYHTJRWXDRRCW-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573814696 949644894 /nfs/dbraw/zinc/64/48/94/949644894.db2.gz FAKRHIUNSXPQCS-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573814696 949644903 /nfs/dbraw/zinc/64/49/03/949644903.db2.gz FAKRHIUNSXPQCS-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC1(C(=O)N2CCN([C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)CC2)CC1 ZINC001575547976 949650903 /nfs/dbraw/zinc/65/09/03/949650903.db2.gz OSOZIDYAWHLJAN-ZDUSSCGKSA-N -1 1 383.460 0.180 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574477341 949652067 /nfs/dbraw/zinc/65/20/67/949652067.db2.gz QKCKTDGNLGMNJG-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccon1 ZINC001573815525 949652620 /nfs/dbraw/zinc/65/26/20/949652620.db2.gz IFNPNNSUGPTBHM-GFCCVEGCSA-N -1 1 385.432 0.642 20 0 GCADMM C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272976 949654425 /nfs/dbraw/zinc/65/44/25/949654425.db2.gz TVZILJDZPBGBIC-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272976 949654437 /nfs/dbraw/zinc/65/44/37/949654437.db2.gz TVZILJDZPBGBIC-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575272761 949655374 /nfs/dbraw/zinc/65/53/74/949655374.db2.gz SNVDIDLIWXBHGS-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575272761 949655385 /nfs/dbraw/zinc/65/53/85/949655385.db2.gz SNVDIDLIWXBHGS-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575272985 949657266 /nfs/dbraw/zinc/65/72/66/949657266.db2.gz UFJSVDNWULEPNH-STQMWFEESA-N -1 1 381.444 0.802 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574958242 949660112 /nfs/dbraw/zinc/66/01/12/949660112.db2.gz HLQCMFBXGNJWKC-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574958242 949660119 /nfs/dbraw/zinc/66/01/19/949660119.db2.gz HLQCMFBXGNJWKC-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574477540 949661205 /nfs/dbraw/zinc/66/12/05/949661205.db2.gz SAWQZPVHAOFOKH-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574477540 949661220 /nfs/dbraw/zinc/66/12/20/949661220.db2.gz SAWQZPVHAOFOKH-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM CC1(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575548217 949666797 /nfs/dbraw/zinc/66/67/97/949666797.db2.gz UMONQAQVFGIFML-GFCCVEGCSA-N -1 1 388.432 0.113 20 0 GCADMM CC1(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575548217 949666810 /nfs/dbraw/zinc/66/68/10/949666810.db2.gz UMONQAQVFGIFML-GFCCVEGCSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001573816130 949672465 /nfs/dbraw/zinc/67/24/65/949672465.db2.gz OOMMJQPIEOMCRK-QWHCGFSZSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574958511 949675469 /nfs/dbraw/zinc/67/54/69/949675469.db2.gz SAQXNFWELURTRF-HXFLIBJXSA-N -1 1 383.865 0.810 20 0 GCADMM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574958511 949675491 /nfs/dbraw/zinc/67/54/91/949675491.db2.gz SAQXNFWELURTRF-HXFLIBJXSA-N -1 1 383.865 0.810 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574958471 949676633 /nfs/dbraw/zinc/67/66/33/949676633.db2.gz KGIMGVZLUVERCP-WCFLWFBJSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574958471 949676647 /nfs/dbraw/zinc/67/66/47/949676647.db2.gz KGIMGVZLUVERCP-WCFLWFBJSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958537 949680034 /nfs/dbraw/zinc/68/00/34/949680034.db2.gz SJBZXFGRDCHEMI-WDSKDSINSA-N -1 1 387.857 0.198 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958537 949680047 /nfs/dbraw/zinc/68/00/47/949680047.db2.gz SJBZXFGRDCHEMI-WDSKDSINSA-N -1 1 387.857 0.198 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169550 949680271 /nfs/dbraw/zinc/68/02/71/949680271.db2.gz HEYMNKSWDUGYOK-CHWSQXEVSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169550 949680289 /nfs/dbraw/zinc/68/02/89/949680289.db2.gz HEYMNKSWDUGYOK-CHWSQXEVSA-N -1 1 382.432 0.592 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1COCCO1 ZINC001573816378 949682030 /nfs/dbraw/zinc/68/20/30/949682030.db2.gz RQEGJFBJKUTXBV-RYUDHWBXSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1COCCO1 ZINC001573816378 949682041 /nfs/dbraw/zinc/68/20/41/949682041.db2.gz RQEGJFBJKUTXBV-RYUDHWBXSA-N -1 1 376.421 0.015 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CC(F)(F)C1 ZINC001575552802 949683798 /nfs/dbraw/zinc/68/37/98/949683798.db2.gz JIYFQVCNCYLWHX-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001574478004 949689167 /nfs/dbraw/zinc/68/91/67/949689167.db2.gz UFBVWUILUBVCEL-TZMCWYRMSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001574478004 949689187 /nfs/dbraw/zinc/68/91/87/949689187.db2.gz UFBVWUILUBVCEL-TZMCWYRMSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001574478003 949690397 /nfs/dbraw/zinc/69/03/97/949690397.db2.gz UFBVWUILUBVCEL-OCCSQVGLSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001574478003 949690421 /nfs/dbraw/zinc/69/04/21/949690421.db2.gz UFBVWUILUBVCEL-OCCSQVGLSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)c(F)c1 ZINC001575275408 949694850 /nfs/dbraw/zinc/69/48/50/949694850.db2.gz CGVIMUJJPGKNOJ-MRVPVSSYSA-N -1 1 391.338 0.675 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574958811 949695016 /nfs/dbraw/zinc/69/50/16/949695016.db2.gz NSEIKYXFJQHCBY-KWCYVHTRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574958811 949695037 /nfs/dbraw/zinc/69/50/37/949695037.db2.gz NSEIKYXFJQHCBY-KWCYVHTRSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnc[nH]c1=O ZINC001573817099 949695391 /nfs/dbraw/zinc/69/53/91/949695391.db2.gz XBJWEAZKNVGOTO-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574958955 949698581 /nfs/dbraw/zinc/69/85/81/949698581.db2.gz ORIDDKKAZZOCQX-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574958955 949698599 /nfs/dbraw/zinc/69/85/99/949698599.db2.gz ORIDDKKAZZOCQX-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574132676 949700131 /nfs/dbraw/zinc/70/01/31/949700131.db2.gz APJGAYRQGJWAAY-OLZOCXBDSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574132676 949700149 /nfs/dbraw/zinc/70/01/49/949700149.db2.gz APJGAYRQGJWAAY-OLZOCXBDSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574478127 949700419 /nfs/dbraw/zinc/70/04/19/949700419.db2.gz XUQZDYRDKAHAAD-CHWSQXEVSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574478127 949700436 /nfs/dbraw/zinc/70/04/36/949700436.db2.gz XUQZDYRDKAHAAD-CHWSQXEVSA-N -1 1 385.432 0.341 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573817707 949702915 /nfs/dbraw/zinc/70/29/15/949702915.db2.gz AJKUCVDWKYWIIE-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573817707 949702933 /nfs/dbraw/zinc/70/29/33/949702933.db2.gz AJKUCVDWKYWIIE-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574478322 949704390 /nfs/dbraw/zinc/70/43/90/949704390.db2.gz YNLBMHDDATUUQN-VXGBXAGGSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574478322 949704403 /nfs/dbraw/zinc/70/44/03/949704403.db2.gz YNLBMHDDATUUQN-VXGBXAGGSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCOc1ccccc1 ZINC001575276129 949710399 /nfs/dbraw/zinc/71/03/99/949710399.db2.gz GTXFSMAJBHRQPV-OLZOCXBDSA-N -1 1 382.428 0.853 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574959400 949715120 /nfs/dbraw/zinc/71/51/20/949715120.db2.gz RHWCEXMCZCJLQY-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574959400 949715137 /nfs/dbraw/zinc/71/51/37/949715137.db2.gz RHWCEXMCZCJLQY-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170497 949717968 /nfs/dbraw/zinc/71/79/68/949717968.db2.gz LJHVIPLRXQCNFK-TZMCWYRMSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881577 949725120 /nfs/dbraw/zinc/72/51/20/949725120.db2.gz ZIXPIEHMKBPGEF-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881577 949725136 /nfs/dbraw/zinc/72/51/36/949725136.db2.gz ZIXPIEHMKBPGEF-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCNC1=O ZINC001573818462 949732955 /nfs/dbraw/zinc/73/29/55/949732955.db2.gz LUULPLJDBDHXJM-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCNC1=O ZINC001573818462 949732977 /nfs/dbraw/zinc/73/29/77/949732977.db2.gz LUULPLJDBDHXJM-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881861 949737011 /nfs/dbraw/zinc/73/70/11/949737011.db2.gz CMDGFKRDHKELEG-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881861 949737026 /nfs/dbraw/zinc/73/70/26/949737026.db2.gz CMDGFKRDHKELEG-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170982 949744340 /nfs/dbraw/zinc/74/43/40/949744340.db2.gz OMKYRVAIHCQDMX-GXTWGEPZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575277285 949745501 /nfs/dbraw/zinc/74/55/01/949745501.db2.gz PSZLAWTVHNJUTO-QWRGUYRKSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575277285 949745523 /nfs/dbraw/zinc/74/55/23/949745523.db2.gz PSZLAWTVHNJUTO-QWRGUYRKSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)CCOC1 ZINC001575559041 949747155 /nfs/dbraw/zinc/74/71/55/949747155.db2.gz UCCBDQDAPRTSMN-PJSAGSTRSA-N -1 1 384.444 0.368 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573819288 949749323 /nfs/dbraw/zinc/74/93/23/949749323.db2.gz SKKUIZXNOFDCFJ-JQWIXIFHSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573819288 949749340 /nfs/dbraw/zinc/74/93/40/949749340.db2.gz SKKUIZXNOFDCFJ-JQWIXIFHSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574480505 949752903 /nfs/dbraw/zinc/75/29/03/949752903.db2.gz JHUQCJFFITWHRV-ZJUUUORDSA-N -1 1 384.366 0.928 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cncc(F)c1 ZINC001573819358 949755633 /nfs/dbraw/zinc/75/56/33/949755633.db2.gz UGTCAEALZJESMS-GFCCVEGCSA-N -1 1 385.407 0.869 20 0 GCADMM C[C@]1(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)CCOC1 ZINC001575559371 949755959 /nfs/dbraw/zinc/75/59/59/949755959.db2.gz BUJPEYWWLBDJMX-BCFKKSPQSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@]1(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)CCOC1 ZINC001575559371 949755976 /nfs/dbraw/zinc/75/59/76/949755976.db2.gz BUJPEYWWLBDJMX-BCFKKSPQSA-N -1 1 384.444 0.923 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573819835 949760530 /nfs/dbraw/zinc/76/05/30/949760530.db2.gz WCRNYNNFWGCTDP-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573819835 949760542 /nfs/dbraw/zinc/76/05/42/949760542.db2.gz WCRNYNNFWGCTDP-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574137510 949764598 /nfs/dbraw/zinc/76/45/98/949764598.db2.gz VFIPVMVTFDOICZ-KGLIPLIRSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574137510 949764618 /nfs/dbraw/zinc/76/46/18/949764618.db2.gz VFIPVMVTFDOICZ-KGLIPLIRSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[n-]n4)n2)C3)CCOC1 ZINC001575559751 949769067 /nfs/dbraw/zinc/76/90/67/949769067.db2.gz FUBQULWAJMRELF-OBQNUFEDSA-N -1 1 384.444 0.345 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882299 949769006 /nfs/dbraw/zinc/76/90/06/949769006.db2.gz ILMQHANWZOLQCO-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)CCOC1 ZINC001575559764 949769384 /nfs/dbraw/zinc/76/93/84/949769384.db2.gz GDMAXWSGCKYQPE-SUMWQHHRSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)CCOC1 ZINC001575559764 949769402 /nfs/dbraw/zinc/76/94/02/949769402.db2.gz GDMAXWSGCKYQPE-SUMWQHHRSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@H](CC(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574481219 949770337 /nfs/dbraw/zinc/77/03/37/949770337.db2.gz NILPAXSPAQAPKS-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574481219 949770347 /nfs/dbraw/zinc/77/03/47/949770347.db2.gz NILPAXSPAQAPKS-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574481226 949771753 /nfs/dbraw/zinc/77/17/53/949771753.db2.gz NLYFOYKNNLSFHA-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574481226 949771773 /nfs/dbraw/zinc/77/17/73/949771773.db2.gz NLYFOYKNNLSFHA-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574481443 949778053 /nfs/dbraw/zinc/77/80/53/949778053.db2.gz PWEOZMFTINREHL-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574481443 949778068 /nfs/dbraw/zinc/77/80/68/949778068.db2.gz PWEOZMFTINREHL-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574137915 949777933 /nfs/dbraw/zinc/77/79/33/949777933.db2.gz YYCFPOQQQIRVIM-CHWSQXEVSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574137915 949777944 /nfs/dbraw/zinc/77/79/44/949777944.db2.gz YYCFPOQQQIRVIM-CHWSQXEVSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574481441 949778372 /nfs/dbraw/zinc/77/83/72/949778372.db2.gz PWEOZMFTINREHL-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574481441 949778389 /nfs/dbraw/zinc/77/83/89/949778389.db2.gz PWEOZMFTINREHL-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575279238 949780203 /nfs/dbraw/zinc/78/02/03/949780203.db2.gz XQXHMHKUFYUIOQ-UWVGGRQHSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575279238 949780212 /nfs/dbraw/zinc/78/02/12/949780212.db2.gz XQXHMHKUFYUIOQ-UWVGGRQHSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576171809 949781895 /nfs/dbraw/zinc/78/18/95/949781895.db2.gz SRBRVRKJJBUJII-JQWIXIFHSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576171809 949781908 /nfs/dbraw/zinc/78/19/08/949781908.db2.gz SRBRVRKJJBUJII-JQWIXIFHSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575279777 949786955 /nfs/dbraw/zinc/78/69/55/949786955.db2.gz ZTJOPDWLQOYZFJ-MNOVXSKESA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575279777 949786973 /nfs/dbraw/zinc/78/69/73/949786973.db2.gz ZTJOPDWLQOYZFJ-MNOVXSKESA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172089 949790738 /nfs/dbraw/zinc/79/07/38/949790738.db2.gz UPXFFHVXCSPKBX-JMUUTAKRSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172089 949790750 /nfs/dbraw/zinc/79/07/50/949790750.db2.gz UPXFFHVXCSPKBX-JMUUTAKRSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)CCOC1 ZINC001575560572 949792069 /nfs/dbraw/zinc/79/20/69/949792069.db2.gz SDUDLYNSUTXCAI-YVEFUNNKSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574720573 949796803 /nfs/dbraw/zinc/79/68/03/949796803.db2.gz CVWAXQJMXVLSRM-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575281090 949798187 /nfs/dbraw/zinc/79/81/87/949798187.db2.gz CWFMKTHZROJNMQ-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575281090 949798192 /nfs/dbraw/zinc/79/81/92/949798192.db2.gz CWFMKTHZROJNMQ-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720630 949799228 /nfs/dbraw/zinc/79/92/28/949799228.db2.gz DYKOWHMZIUGDEL-CYBMUJFWSA-N -1 1 382.428 0.807 20 0 GCADMM C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574720622 949801966 /nfs/dbraw/zinc/80/19/66/949801966.db2.gz DWJPCCBASOSPDA-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574720622 949801989 /nfs/dbraw/zinc/80/19/89/949801989.db2.gz DWJPCCBASOSPDA-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576172565 949809967 /nfs/dbraw/zinc/80/99/67/949809967.db2.gz XHGHEWHWTMGQSU-DGCLKSJQSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576172565 949809989 /nfs/dbraw/zinc/80/99/89/949809989.db2.gz XHGHEWHWTMGQSU-DGCLKSJQSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172597 949811716 /nfs/dbraw/zinc/81/17/16/949811716.db2.gz XUWDXTXATJHCST-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172556 949812485 /nfs/dbraw/zinc/81/24/85/949812485.db2.gz XDPQRQILCICEBS-GWCFXTLKSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574965838 949815720 /nfs/dbraw/zinc/81/57/20/949815720.db2.gz NDQABKYWUMEUCN-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574965838 949815733 /nfs/dbraw/zinc/81/57/33/949815733.db2.gz NDQABKYWUMEUCN-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H]1CCCC[C@@H]1CNC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576172698 949816588 /nfs/dbraw/zinc/81/65/88/949816588.db2.gz VLYQNXXUWLJUKD-GHMZBOCLSA-N -1 1 388.432 0.522 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccnc1 ZINC001573823259 949822248 /nfs/dbraw/zinc/82/22/48/949822248.db2.gz SMZVKCGYQMBGAV-GFCCVEGCSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccnc1 ZINC001573823259 949822265 /nfs/dbraw/zinc/82/22/65/949822265.db2.gz SMZVKCGYQMBGAV-GFCCVEGCSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574965902 949822358 /nfs/dbraw/zinc/82/23/58/949822358.db2.gz OIVBUGFIJHIKJR-SSDOTTSWSA-N -1 1 388.823 0.563 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883645 949822695 /nfs/dbraw/zinc/82/26/95/949822695.db2.gz RXAGUGHJAJXVNA-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883645 949822703 /nfs/dbraw/zinc/82/27/03/949822703.db2.gz RXAGUGHJAJXVNA-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281891 949824767 /nfs/dbraw/zinc/82/47/67/949824767.db2.gz HUSYPQBMCKBOCZ-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281891 949824790 /nfs/dbraw/zinc/82/47/90/949824790.db2.gz HUSYPQBMCKBOCZ-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM CC(C)(C)[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(F)(F)F ZINC001573823334 949826554 /nfs/dbraw/zinc/82/65/54/949826554.db2.gz UZRRWIBKYKSQNF-NSHDSACASA-N -1 1 389.338 0.612 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574966289 949842077 /nfs/dbraw/zinc/84/20/77/949842077.db2.gz WMHSTRACFQVNAF-QYNIQEEDSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574966289 949842099 /nfs/dbraw/zinc/84/20/99/949842099.db2.gz WMHSTRACFQVNAF-QYNIQEEDSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001574483919 949846312 /nfs/dbraw/zinc/84/63/12/949846312.db2.gz QCJDNTFNBHGYRM-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001574483919 949846333 /nfs/dbraw/zinc/84/63/33/949846333.db2.gz QCJDNTFNBHGYRM-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282963 949849894 /nfs/dbraw/zinc/84/98/94/949849894.db2.gz CXDFEFTZHLIWCH-QWHCGFSZSA-N -1 1 381.444 0.520 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575563933 949850101 /nfs/dbraw/zinc/85/01/01/949850101.db2.gz NDIUTNCRBGWREU-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575563933 949850123 /nfs/dbraw/zinc/85/01/23/949850123.db2.gz NDIUTNCRBGWREU-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575564027 949851426 /nfs/dbraw/zinc/85/14/26/949851426.db2.gz NVFDCLYGTRNMGS-KJBLDROHSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574966431 949852585 /nfs/dbraw/zinc/85/25/85/949852585.db2.gz YSNOZSAMMBRUFH-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574966431 949852612 /nfs/dbraw/zinc/85/26/12/949852612.db2.gz YSNOZSAMMBRUFH-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575283027 949854001 /nfs/dbraw/zinc/85/40/01/949854001.db2.gz MQQJTGLQYOMSAF-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575283027 949854024 /nfs/dbraw/zinc/85/40/24/949854024.db2.gz MQQJTGLQYOMSAF-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177757 949854722 /nfs/dbraw/zinc/85/47/22/949854722.db2.gz BIIBRLZZTFOLQU-RYUDHWBXSA-N -1 1 380.416 0.221 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575283152 949862520 /nfs/dbraw/zinc/86/25/20/949862520.db2.gz NYYNCDKLMMIDKU-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574484189 949865656 /nfs/dbraw/zinc/86/56/56/949865656.db2.gz FFJVMGVVNKYMFF-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574484189 949865682 /nfs/dbraw/zinc/86/56/82/949865682.db2.gz FFJVMGVVNKYMFF-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574484201 949866387 /nfs/dbraw/zinc/86/63/87/949866387.db2.gz FHZRPWKDEBABNX-CHWSQXEVSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1[O-] ZINC001575885630 949869097 /nfs/dbraw/zinc/86/90/97/949869097.db2.gz KKZMGUBSCSXHSL-MWLCHTKSSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@@H](NC(=O)C(=O)N1CCC(C)CC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576177973 949871152 /nfs/dbraw/zinc/87/11/52/949871152.db2.gz FCKXKEJVRNROQY-VXGBXAGGSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(=O)N1CCC(C)CC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576177973 949871170 /nfs/dbraw/zinc/87/11/70/949871170.db2.gz FCKXKEJVRNROQY-VXGBXAGGSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(=O)N1CCC(C)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576177971 949872507 /nfs/dbraw/zinc/87/25/07/949872507.db2.gz FCKXKEJVRNROQY-RYUDHWBXSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(=O)N1CCC(C)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576177971 949872525 /nfs/dbraw/zinc/87/25/25/949872525.db2.gz FCKXKEJVRNROQY-RYUDHWBXSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575886154 949875362 /nfs/dbraw/zinc/87/53/62/949875362.db2.gz XHKDBMJZVZWTDF-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575886154 949875381 /nfs/dbraw/zinc/87/53/81/949875381.db2.gz XHKDBMJZVZWTDF-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575283594 949878137 /nfs/dbraw/zinc/87/81/37/949878137.db2.gz QFUJUHQEFHZPPP-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575283594 949878147 /nfs/dbraw/zinc/87/81/47/949878147.db2.gz QFUJUHQEFHZPPP-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574967925 949878840 /nfs/dbraw/zinc/87/88/40/949878840.db2.gz JXHWKSJFTIJUCL-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574967925 949878864 /nfs/dbraw/zinc/87/88/64/949878864.db2.gz JXHWKSJFTIJUCL-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178195 949879933 /nfs/dbraw/zinc/87/99/33/949879933.db2.gz GEWDHEWROWNBHQ-GXSJLCMTSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178195 949879962 /nfs/dbraw/zinc/87/99/62/949879962.db2.gz GEWDHEWROWNBHQ-GXSJLCMTSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576178277 949880616 /nfs/dbraw/zinc/88/06/16/949880616.db2.gz HEALVFVBIAUDQJ-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576178277 949880637 /nfs/dbraw/zinc/88/06/37/949880637.db2.gz HEALVFVBIAUDQJ-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283676 949881256 /nfs/dbraw/zinc/88/12/56/949881256.db2.gz GQTRQHHKNYNTHR-RYUDHWBXSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283676 949881278 /nfs/dbraw/zinc/88/12/78/949881278.db2.gz GQTRQHHKNYNTHR-RYUDHWBXSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576178203 949884604 /nfs/dbraw/zinc/88/46/04/949884604.db2.gz GGSQJFDZQVAJIH-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576178203 949884628 /nfs/dbraw/zinc/88/46/28/949884628.db2.gz GGSQJFDZQVAJIH-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576178201 949884753 /nfs/dbraw/zinc/88/47/53/949884753.db2.gz GGSQJFDZQVAJIH-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576178201 949884773 /nfs/dbraw/zinc/88/47/73/949884773.db2.gz GGSQJFDZQVAJIH-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573825702 949888844 /nfs/dbraw/zinc/88/88/44/949888844.db2.gz BGQYOPPESBITCZ-GWCFXTLKSA-N -1 1 391.432 0.087 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001574484579 949890090 /nfs/dbraw/zinc/89/00/90/949890090.db2.gz KHBYKHWJVMSUPV-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001574484579 949890109 /nfs/dbraw/zinc/89/01/09/949890109.db2.gz KHBYKHWJVMSUPV-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576178508 949890607 /nfs/dbraw/zinc/89/06/07/949890607.db2.gz BVFXFGOIQOQKAK-PWSUYJOCSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576178508 949890626 /nfs/dbraw/zinc/89/06/26/949890626.db2.gz BVFXFGOIQOQKAK-PWSUYJOCSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574484659 949892599 /nfs/dbraw/zinc/89/25/99/949892599.db2.gz LLIMGBDLCRBXQL-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574484659 949892618 /nfs/dbraw/zinc/89/26/18/949892618.db2.gz LLIMGBDLCRBXQL-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574484752 949901552 /nfs/dbraw/zinc/90/15/52/949901552.db2.gz NNSCBRAMQCUDJO-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574484752 949901568 /nfs/dbraw/zinc/90/15/68/949901568.db2.gz NNSCBRAMQCUDJO-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]2O)CC1 ZINC001575569500 949916652 /nfs/dbraw/zinc/91/66/52/949916652.db2.gz KUGBCBPHMACJFF-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]2O)CC1 ZINC001575569500 949916669 /nfs/dbraw/zinc/91/66/69/949916669.db2.gz KUGBCBPHMACJFF-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179554 949917559 /nfs/dbraw/zinc/91/75/59/949917559.db2.gz AVSUKOQLJLDUMT-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179554 949917569 /nfs/dbraw/zinc/91/75/69/949917569.db2.gz AVSUKOQLJLDUMT-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@H]2O)CC1 ZINC001575569542 949919757 /nfs/dbraw/zinc/91/97/57/949919757.db2.gz KUGBCBPHMACJFF-YUMQZZPRSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@H]2O)CC1 ZINC001575569542 949919786 /nfs/dbraw/zinc/91/97/86/949919786.db2.gz KUGBCBPHMACJFF-YUMQZZPRSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001574485692 949932132 /nfs/dbraw/zinc/93/21/32/949932132.db2.gz YWBHNGOMQSVFQN-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574485692 949932149 /nfs/dbraw/zinc/93/21/49/949932149.db2.gz YWBHNGOMQSVFQN-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574488072 949940238 /nfs/dbraw/zinc/94/02/38/949940238.db2.gz DBJYVHUNYKFJLO-TZMCWYRMSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001576180087 949940738 /nfs/dbraw/zinc/94/07/38/949940738.db2.gz HHYSKCDZUTUQLD-JOYOIKCWSA-N -1 1 386.420 0.049 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574488085 949940862 /nfs/dbraw/zinc/94/08/62/949940862.db2.gz DHOLOMMTRILTKA-FRRDWIJNSA-N -1 1 382.432 0.185 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180574 949959346 /nfs/dbraw/zinc/95/93/46/949959346.db2.gz FGNCQTPVKKODKW-DGCLKSJQSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180574 949959367 /nfs/dbraw/zinc/95/93/67/949959367.db2.gz FGNCQTPVKKODKW-DGCLKSJQSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180537 949959757 /nfs/dbraw/zinc/95/97/57/949959757.db2.gz FBBKCRQTGBXBTF-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180537 949959773 /nfs/dbraw/zinc/95/97/73/949959773.db2.gz FBBKCRQTGBXBTF-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890768 949962828 /nfs/dbraw/zinc/96/28/28/949962828.db2.gz ZNTZZCGHSHDFSN-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890768 949962849 /nfs/dbraw/zinc/96/28/49/949962849.db2.gz ZNTZZCGHSHDFSN-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](CO)Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCOC1 ZINC001575571866 949966007 /nfs/dbraw/zinc/96/60/07/949966007.db2.gz BQFOSWJXBGFOGK-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](CO)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCOC1 ZINC001575571866 949966029 /nfs/dbraw/zinc/96/60/29/949966029.db2.gz BQFOSWJXBGFOGK-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574489723 949970613 /nfs/dbraw/zinc/97/06/13/949970613.db2.gz LLKNGKWDXIUVGM-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574489723 949970625 /nfs/dbraw/zinc/97/06/25/949970625.db2.gz LLKNGKWDXIUVGM-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891036 949977585 /nfs/dbraw/zinc/97/75/85/949977585.db2.gz DIZJVFSLPAVEIK-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891036 949977597 /nfs/dbraw/zinc/97/75/97/949977597.db2.gz DIZJVFSLPAVEIK-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891037 949978708 /nfs/dbraw/zinc/97/87/08/949978708.db2.gz DIZJVFSLPAVEIK-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891037 949978726 /nfs/dbraw/zinc/97/87/26/949978726.db2.gz DIZJVFSLPAVEIK-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891035 949980087 /nfs/dbraw/zinc/98/00/87/949980087.db2.gz DIZJVFSLPAVEIK-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891035 949980109 /nfs/dbraw/zinc/98/01/09/949980109.db2.gz DIZJVFSLPAVEIK-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573830715 949981768 /nfs/dbraw/zinc/98/17/68/949981768.db2.gz PGXJQDRGFRVZOQ-CYBMUJFWSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573830715 949981778 /nfs/dbraw/zinc/98/17/78/949981778.db2.gz PGXJQDRGFRVZOQ-CYBMUJFWSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001573831339 949990216 /nfs/dbraw/zinc/99/02/16/949990216.db2.gz VMDHFWXPSGKOOX-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001573831339 949990237 /nfs/dbraw/zinc/99/02/37/949990237.db2.gz VMDHFWXPSGKOOX-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575573303 949992905 /nfs/dbraw/zinc/99/29/05/949992905.db2.gz LNLPXZNRSNZVTI-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575573303 949992924 /nfs/dbraw/zinc/99/29/24/949992924.db2.gz LNLPXZNRSNZVTI-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574490356 949993254 /nfs/dbraw/zinc/99/32/54/949993254.db2.gz QENRAVFNBHCPIN-SMDDNHRTSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574490356 949993275 /nfs/dbraw/zinc/99/32/75/949993275.db2.gz QENRAVFNBHCPIN-SMDDNHRTSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574490515 950002301 /nfs/dbraw/zinc/00/23/01/950002301.db2.gz UANYPZSNACJXRC-AGIUHOORSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574490515 950002324 /nfs/dbraw/zinc/00/23/24/950002324.db2.gz UANYPZSNACJXRC-AGIUHOORSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181789 950015853 /nfs/dbraw/zinc/01/58/53/950015853.db2.gz MQJXVNGNCHWJDM-OCCSQVGLSA-N -1 1 381.444 0.770 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181767 950019925 /nfs/dbraw/zinc/01/99/25/950019925.db2.gz MQEAGDCLLRCMLA-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181767 950019948 /nfs/dbraw/zinc/01/99/48/950019948.db2.gz MQEAGDCLLRCMLA-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575574580 950022358 /nfs/dbraw/zinc/02/23/58/950022358.db2.gz WZWANOHXLFRMKQ-FZKQIMNGSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575574580 950022378 /nfs/dbraw/zinc/02/23/78/950022378.db2.gz WZWANOHXLFRMKQ-FZKQIMNGSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574729603 950023562 /nfs/dbraw/zinc/02/35/62/950023562.db2.gz OXNHMHDEZNHDPJ-SNVBAGLBSA-N -1 1 383.416 0.446 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182202 950038488 /nfs/dbraw/zinc/03/84/88/950038488.db2.gz NNZORLRCUKLTJI-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182202 950038499 /nfs/dbraw/zinc/03/84/99/950038499.db2.gz NNZORLRCUKLTJI-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182312 950043404 /nfs/dbraw/zinc/04/34/04/950043404.db2.gz NWNNTPQEUZKJRS-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182312 950043419 /nfs/dbraw/zinc/04/34/19/950043419.db2.gz NWNNTPQEUZKJRS-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@]1(C(=O)NC[C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC001575575404 950048418 /nfs/dbraw/zinc/04/84/18/950048418.db2.gz ISRNWWYJPIHGSP-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@]1(C(=O)NC[C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC001575575404 950048433 /nfs/dbraw/zinc/04/84/33/950048433.db2.gz ISRNWWYJPIHGSP-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575892113 950054265 /nfs/dbraw/zinc/05/42/65/950054265.db2.gz RPNIGLAIDSYVSJ-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575892113 950054285 /nfs/dbraw/zinc/05/42/85/950054285.db2.gz RPNIGLAIDSYVSJ-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574492024 950054403 /nfs/dbraw/zinc/05/44/03/950054403.db2.gz IHPHCTMAYCXWAP-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574492024 950054427 /nfs/dbraw/zinc/05/44/27/950054427.db2.gz IHPHCTMAYCXWAP-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574731596 950058289 /nfs/dbraw/zinc/05/82/89/950058289.db2.gz XXRXGXWBPZSBLX-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574731596 950058307 /nfs/dbraw/zinc/05/83/07/950058307.db2.gz XXRXGXWBPZSBLX-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182640 950059633 /nfs/dbraw/zinc/05/96/33/950059633.db2.gz OUAIHFDGUVRWQZ-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182640 950059648 /nfs/dbraw/zinc/05/96/48/950059648.db2.gz OUAIHFDGUVRWQZ-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182657 950062471 /nfs/dbraw/zinc/06/24/71/950062471.db2.gz OUQWGSHKCORTDJ-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182657 950062501 /nfs/dbraw/zinc/06/25/01/950062501.db2.gz OUQWGSHKCORTDJ-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574732181 950067403 /nfs/dbraw/zinc/06/74/03/950067403.db2.gz GLKCNFMIUVRAPY-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574732181 950067420 /nfs/dbraw/zinc/06/74/20/950067420.db2.gz GLKCNFMIUVRAPY-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574732233 950069121 /nfs/dbraw/zinc/06/91/21/950069121.db2.gz HLKAJSHRDGHHGV-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574732233 950069136 /nfs/dbraw/zinc/06/91/36/950069136.db2.gz HLKAJSHRDGHHGV-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182934 950070663 /nfs/dbraw/zinc/07/06/63/950070663.db2.gz QAJSUFIXKFKMNG-KOLCDFICSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182934 950070680 /nfs/dbraw/zinc/07/06/80/950070680.db2.gz QAJSUFIXKFKMNG-KOLCDFICSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCOC1 ZINC001575576616 950073947 /nfs/dbraw/zinc/07/39/47/950073947.db2.gz RYMRMKLQSBFANF-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCOC1 ZINC001575576616 950073967 /nfs/dbraw/zinc/07/39/67/950073967.db2.gz RYMRMKLQSBFANF-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCOC1 ZINC001575576612 950075847 /nfs/dbraw/zinc/07/58/47/950075847.db2.gz RYMRMKLQSBFANF-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCOC1 ZINC001575576612 950075867 /nfs/dbraw/zinc/07/58/67/950075867.db2.gz RYMRMKLQSBFANF-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574492422 950080264 /nfs/dbraw/zinc/08/02/64/950080264.db2.gz AWVZFQJEUXAFHG-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574492422 950080287 /nfs/dbraw/zinc/08/02/87/950080287.db2.gz AWVZFQJEUXAFHG-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574732859 950081818 /nfs/dbraw/zinc/08/18/18/950081818.db2.gz LGPWKFXAILBQEW-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574732859 950081831 /nfs/dbraw/zinc/08/18/31/950081831.db2.gz LGPWKFXAILBQEW-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575892624 950082645 /nfs/dbraw/zinc/08/26/45/950082645.db2.gz YNXJCAWCZWIYJU-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575892624 950082661 /nfs/dbraw/zinc/08/26/61/950082661.db2.gz YNXJCAWCZWIYJU-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574492421 950084244 /nfs/dbraw/zinc/08/42/44/950084244.db2.gz AWEBJPLNQRNDHG-YPMHNXCESA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183389 950086368 /nfs/dbraw/zinc/08/63/68/950086368.db2.gz RAFMEEUZHZHNRM-QWRGUYRKSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183453 950091956 /nfs/dbraw/zinc/09/19/56/950091956.db2.gz SCCWPWCRZKYZAE-MFKMUULPSA-N -1 1 385.407 0.899 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733156 950096139 /nfs/dbraw/zinc/09/61/39/950096139.db2.gz UEISVTDOAQEVGE-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733156 950096163 /nfs/dbraw/zinc/09/61/63/950096163.db2.gz UEISVTDOAQEVGE-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733216 950101299 /nfs/dbraw/zinc/10/12/99/950101299.db2.gz VWZTWHFIYFHJLF-AAEUAGOBSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733216 950101304 /nfs/dbraw/zinc/10/13/04/950101304.db2.gz VWZTWHFIYFHJLF-AAEUAGOBSA-N -1 1 387.448 0.315 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183729 950102536 /nfs/dbraw/zinc/10/25/36/950102536.db2.gz TXTSRASLUFHKAR-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183729 950102549 /nfs/dbraw/zinc/10/25/49/950102549.db2.gz TXTSRASLUFHKAR-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575582161 950104055 /nfs/dbraw/zinc/10/40/55/950104055.db2.gz AIEAHESRQCXSPN-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575582161 950104078 /nfs/dbraw/zinc/10/40/78/950104078.db2.gz AIEAHESRQCXSPN-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184003 950108007 /nfs/dbraw/zinc/10/80/07/950108007.db2.gz VBKHWKVTFOUREC-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184003 950108018 /nfs/dbraw/zinc/10/80/18/950108018.db2.gz VBKHWKVTFOUREC-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733432 950109645 /nfs/dbraw/zinc/10/96/45/950109645.db2.gz AVPMDNKTSRWTEA-KWCYVHTRSA-N -1 1 379.428 0.536 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733453 950112729 /nfs/dbraw/zinc/11/27/29/950112729.db2.gz BNXOFVOQEKVGJN-FPMFFAJLSA-N -1 1 379.428 0.536 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493048 950114976 /nfs/dbraw/zinc/11/49/76/950114976.db2.gz QZTBYAQMBDOCCS-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493048 950115001 /nfs/dbraw/zinc/11/50/01/950115001.db2.gz QZTBYAQMBDOCCS-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574492993 950115117 /nfs/dbraw/zinc/11/51/17/950115117.db2.gz QDZORJVVWHUKLQ-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733528 950115091 /nfs/dbraw/zinc/11/50/91/950115091.db2.gz DBSRSYXDDWCWMZ-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733528 950115109 /nfs/dbraw/zinc/11/51/09/950115109.db2.gz DBSRSYXDDWCWMZ-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574492993 950115130 /nfs/dbraw/zinc/11/51/30/950115130.db2.gz QDZORJVVWHUKLQ-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184158 950118933 /nfs/dbraw/zinc/11/89/33/950118933.db2.gz USLZDAYURXCOQZ-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184158 950118945 /nfs/dbraw/zinc/11/89/45/950118945.db2.gz USLZDAYURXCOQZ-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573839324 950131455 /nfs/dbraw/zinc/13/14/55/950131455.db2.gz QMYARFSMAQBLFD-LLVKDONJSA-N -1 1 376.465 0.430 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184461 950132806 /nfs/dbraw/zinc/13/28/06/950132806.db2.gz VTZKOSVWOVWUPW-TZMCWYRMSA-N -1 1 384.444 0.322 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184450 950133102 /nfs/dbraw/zinc/13/31/02/950133102.db2.gz VTFWMJODSFENOW-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184450 950133119 /nfs/dbraw/zinc/13/31/19/950133119.db2.gz VTFWMJODSFENOW-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574493624 950135930 /nfs/dbraw/zinc/13/59/30/950135930.db2.gz VBDYBHNGGPDBBZ-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574493624 950135946 /nfs/dbraw/zinc/13/59/46/950135946.db2.gz VBDYBHNGGPDBBZ-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184680 950136218 /nfs/dbraw/zinc/13/62/18/950136218.db2.gz WYFPYZJNXLHOCO-OCCSQVGLSA-N -1 1 386.460 0.402 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575583058 950137357 /nfs/dbraw/zinc/13/73/57/950137357.db2.gz JTODFYBPEAQGLP-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575583058 950137371 /nfs/dbraw/zinc/13/73/71/950137371.db2.gz JTODFYBPEAQGLP-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184681 950138366 /nfs/dbraw/zinc/13/83/66/950138366.db2.gz WYFPYZJNXLHOCO-TZMCWYRMSA-N -1 1 386.460 0.402 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCCC1 ZINC001575583576 950147052 /nfs/dbraw/zinc/14/70/52/950147052.db2.gz SNPZZXUGKSPLNE-GOSISDBHSA-N -1 1 386.460 0.685 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575583576 950147064 /nfs/dbraw/zinc/14/70/64/950147064.db2.gz SNPZZXUGKSPLNE-GOSISDBHSA-N -1 1 386.460 0.685 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575583598 950150746 /nfs/dbraw/zinc/15/07/46/950150746.db2.gz MJWQCWFXWPXYSW-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575583598 950150755 /nfs/dbraw/zinc/15/07/55/950150755.db2.gz MJWQCWFXWPXYSW-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574494153 950151062 /nfs/dbraw/zinc/15/10/62/950151062.db2.gz XFZDTZWFWMAZSW-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574494153 950151076 /nfs/dbraw/zinc/15/10/76/950151076.db2.gz XFZDTZWFWMAZSW-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576185004 950152469 /nfs/dbraw/zinc/15/24/69/950152469.db2.gz YJERWWIAVFCVFF-DGCLKSJQSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734997 950154719 /nfs/dbraw/zinc/15/47/19/950154719.db2.gz WUWCSVZPDSZKKY-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734997 950154729 /nfs/dbraw/zinc/15/47/29/950154729.db2.gz WUWCSVZPDSZKKY-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185086 950155121 /nfs/dbraw/zinc/15/51/21/950155121.db2.gz ZGUVXYQQYHKHPI-RYUDHWBXSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185086 950155134 /nfs/dbraw/zinc/15/51/34/950155134.db2.gz ZGUVXYQQYHKHPI-RYUDHWBXSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001574494256 950156006 /nfs/dbraw/zinc/15/60/06/950156006.db2.gz YGWLKBCEHGEVFM-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001574494256 950156019 /nfs/dbraw/zinc/15/60/19/950156019.db2.gz YGWLKBCEHGEVFM-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001574494258 950157417 /nfs/dbraw/zinc/15/74/17/950157417.db2.gz YGWLKBCEHGEVFM-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001574494258 950157428 /nfs/dbraw/zinc/15/74/28/950157428.db2.gz YGWLKBCEHGEVFM-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CC(F)(F)C1 ZINC001575584097 950162045 /nfs/dbraw/zinc/16/20/45/950162045.db2.gz PIWQOHXJFTZDAQ-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CC(F)(F)C1 ZINC001575584097 950162057 /nfs/dbraw/zinc/16/20/57/950162057.db2.gz PIWQOHXJFTZDAQ-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccn(C)n2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190522 950162994 /nfs/dbraw/zinc/16/29/94/950162994.db2.gz ACIBNNKQUTWEKP-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccn(C)n2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190522 950163005 /nfs/dbraw/zinc/16/30/05/950163005.db2.gz ACIBNNKQUTWEKP-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574982381 950164646 /nfs/dbraw/zinc/16/46/46/950164646.db2.gz BNHGJUKMGJBHLS-SNVBAGLBSA-N -1 1 384.448 0.577 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574154337 950170443 /nfs/dbraw/zinc/17/04/43/950170443.db2.gz DHUAPIVCDGBBSH-FZKQIMNGSA-N -1 1 388.476 0.573 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574982562 950171530 /nfs/dbraw/zinc/17/15/30/950171530.db2.gz DHEFFTGGLXQVNB-YFKPBYRVSA-N -1 1 383.825 0.646 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574982562 950171537 /nfs/dbraw/zinc/17/15/37/950171537.db2.gz DHEFFTGGLXQVNB-YFKPBYRVSA-N -1 1 383.825 0.646 20 0 GCADMM C[C@H](CNC(=O)c1cnc[nH]c1=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574982625 950174198 /nfs/dbraw/zinc/17/41/98/950174198.db2.gz FWDHDYHWHLQPRX-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H](CNC(=O)c1cnc[nH]c1=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574982625 950174212 /nfs/dbraw/zinc/17/42/12/950174212.db2.gz FWDHDYHWHLQPRX-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190851 950176307 /nfs/dbraw/zinc/17/63/07/950176307.db2.gz CDRFHWMDLCIYJM-WDEREUQCSA-N -1 1 385.457 0.745 20 0 GCADMM CC(C)(C)CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(N)=O ZINC001573843414 950178857 /nfs/dbraw/zinc/17/88/57/950178857.db2.gz XFKAYNTVTDLUCN-JTQLQIEISA-N -1 1 384.437 0.964 20 0 GCADMM CC(C)(C)CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC001573843414 950178871 /nfs/dbraw/zinc/17/88/71/950178871.db2.gz XFKAYNTVTDLUCN-JTQLQIEISA-N -1 1 384.437 0.964 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c2ncccc12)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574982731 950180302 /nfs/dbraw/zinc/18/03/02/950180302.db2.gz FYHSMBKVPVXBDZ-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c2ncccc12)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574982731 950180316 /nfs/dbraw/zinc/18/03/16/950180316.db2.gz FYHSMBKVPVXBDZ-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574494820 950181977 /nfs/dbraw/zinc/18/19/77/950181977.db2.gz OXQALJYDSCHHIB-FZMZJTMJSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574494820 950181988 /nfs/dbraw/zinc/18/19/88/950181988.db2.gz OXQALJYDSCHHIB-FZMZJTMJSA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574155488 950192688 /nfs/dbraw/zinc/19/26/88/950192688.db2.gz MDQQLMMTLBOXGU-KBPBESRZSA-N -1 1 388.476 0.981 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574155489 950193738 /nfs/dbraw/zinc/19/37/38/950193738.db2.gz MDQQLMMTLBOXGU-KGLIPLIRSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191376 950194622 /nfs/dbraw/zinc/19/46/22/950194622.db2.gz FPUSLULUDYCPCD-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191376 950194631 /nfs/dbraw/zinc/19/46/31/950194631.db2.gz FPUSLULUDYCPCD-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@]1(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575585570 950199600 /nfs/dbraw/zinc/19/96/00/950199600.db2.gz AVUMLEWLOBVBLB-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575585570 950199608 /nfs/dbraw/zinc/19/96/08/950199608.db2.gz AVUMLEWLOBVBLB-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575900692 950205305 /nfs/dbraw/zinc/20/53/05/950205305.db2.gz HLYZKYKWEOFQDV-MWLCHTKSSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191767 950207925 /nfs/dbraw/zinc/20/79/25/950207925.db2.gz KBEPGIUBCQIBIH-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191767 950207941 /nfs/dbraw/zinc/20/79/41/950207941.db2.gz KBEPGIUBCQIBIH-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001574155697 950208380 /nfs/dbraw/zinc/20/83/80/950208380.db2.gz QJLYVSUXXBKCBE-ZIAGYGMSSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901017 950210170 /nfs/dbraw/zinc/21/01/70/950210170.db2.gz JXOFXIJWWVHZNH-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nn[nH]n1 ZINC001575901017 950210187 /nfs/dbraw/zinc/21/01/87/950210187.db2.gz JXOFXIJWWVHZNH-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191765 950210493 /nfs/dbraw/zinc/21/04/93/950210493.db2.gz KBEPGIUBCQIBIH-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191765 950210504 /nfs/dbraw/zinc/21/05/04/950210504.db2.gz KBEPGIUBCQIBIH-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1ccnc1 ZINC001574156014 950216769 /nfs/dbraw/zinc/21/67/69/950216769.db2.gz UJFOATUDCKKAHK-CYBMUJFWSA-N -1 1 384.448 0.308 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574497060 950219684 /nfs/dbraw/zinc/21/96/84/950219684.db2.gz YRYNQDNUIDICAI-VXGBXAGGSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001574497026 950220008 /nfs/dbraw/zinc/22/00/08/950220008.db2.gz YGSOVXPJZYZNPA-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001574497026 950220028 /nfs/dbraw/zinc/22/00/28/950220028.db2.gz YGSOVXPJZYZNPA-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574497056 950222157 /nfs/dbraw/zinc/22/21/57/950222157.db2.gz YRYNQDNUIDICAI-NEPJUHHUSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901215 950225218 /nfs/dbraw/zinc/22/52/18/950225218.db2.gz MMDPIKFETXQLBL-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901215 950225236 /nfs/dbraw/zinc/22/52/36/950225236.db2.gz MMDPIKFETXQLBL-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1ccnc1 ZINC001574497338 950226697 /nfs/dbraw/zinc/22/66/97/950226697.db2.gz ZIJYPABBBGSDEC-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574497338 950226713 /nfs/dbraw/zinc/22/67/13/950226713.db2.gz ZIJYPABBBGSDEC-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574156162 950227044 /nfs/dbraw/zinc/22/70/44/950227044.db2.gz XXDJDRQMODFQOG-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574156162 950227063 /nfs/dbraw/zinc/22/70/63/950227063.db2.gz XXDJDRQMODFQOG-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192310 950237134 /nfs/dbraw/zinc/23/71/34/950237134.db2.gz LUVDTDWHSDXWIU-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192310 950237151 /nfs/dbraw/zinc/23/71/51/950237151.db2.gz LUVDTDWHSDXWIU-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(F)cncc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574741226 950239707 /nfs/dbraw/zinc/23/97/07/950239707.db2.gz ILIDPNFKAHTDRH-MRVPVSSYSA-N -1 1 375.343 0.324 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574157566 950242480 /nfs/dbraw/zinc/24/24/80/950242480.db2.gz DAVKRXGXRLHCTG-NWDGAFQWSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574157566 950242500 /nfs/dbraw/zinc/24/25/00/950242500.db2.gz DAVKRXGXRLHCTG-NWDGAFQWSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192463 950247379 /nfs/dbraw/zinc/24/73/79/950247379.db2.gz NFEYHPBHFYUMQS-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192463 950247398 /nfs/dbraw/zinc/24/73/98/950247398.db2.gz NFEYHPBHFYUMQS-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192458 950248006 /nfs/dbraw/zinc/24/80/06/950248006.db2.gz NFEYHPBHFYUMQS-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192458 950248022 /nfs/dbraw/zinc/24/80/22/950248022.db2.gz NFEYHPBHFYUMQS-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902230 950250015 /nfs/dbraw/zinc/25/00/15/950250015.db2.gz TWFUDIIMYBSOTF-DTWKUNHWSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001574498005 950256454 /nfs/dbraw/zinc/25/64/54/950256454.db2.gz IDVWSLAUMBQZLO-GFCCVEGCSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574497991 950257140 /nfs/dbraw/zinc/25/71/40/950257140.db2.gz HWOGJYWPSWYDKJ-HSBZDZAISA-N -1 1 381.444 0.838 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574157939 950264480 /nfs/dbraw/zinc/26/44/80/950264480.db2.gz LKIRIMUYTUIIQW-GFCCVEGCSA-N -1 1 383.416 0.436 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574157927 950265067 /nfs/dbraw/zinc/26/50/67/950265067.db2.gz LHRFZAOTSRKCQE-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574157927 950265087 /nfs/dbraw/zinc/26/50/87/950265087.db2.gz LHRFZAOTSRKCQE-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@]1(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575589749 950267812 /nfs/dbraw/zinc/26/78/12/950267812.db2.gz XXQWSNZXNRSCGM-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575589749 950267829 /nfs/dbraw/zinc/26/78/29/950267829.db2.gz XXQWSNZXNRSCGM-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@]1(F)CCOC1 ZINC001574158118 950272073 /nfs/dbraw/zinc/27/20/73/950272073.db2.gz OIKWCSIDFWAWFP-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@]1(F)CCOC1 ZINC001574158118 950272090 /nfs/dbraw/zinc/27/20/90/950272090.db2.gz OIKWCSIDFWAWFP-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(F)CCOC1 ZINC001574158120 950274209 /nfs/dbraw/zinc/27/42/09/950274209.db2.gz OIKWCSIDFWAWFP-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(F)CCOC1 ZINC001574158120 950274227 /nfs/dbraw/zinc/27/42/27/950274227.db2.gz OIKWCSIDFWAWFP-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574498433 950274722 /nfs/dbraw/zinc/27/47/22/950274722.db2.gz NGNCIFLZWRDIKC-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574498433 950274741 /nfs/dbraw/zinc/27/47/41/950274741.db2.gz NGNCIFLZWRDIKC-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574158272 950278506 /nfs/dbraw/zinc/27/85/06/950278506.db2.gz QDGNWZFLJOVFOZ-SYQHCUMBSA-N -1 1 386.460 0.589 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574158493 950280900 /nfs/dbraw/zinc/28/09/00/950280900.db2.gz BNSLXJGHGXCVMO-NWDGAFQWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574158493 950280919 /nfs/dbraw/zinc/28/09/19/950280919.db2.gz BNSLXJGHGXCVMO-NWDGAFQWSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193061 950283880 /nfs/dbraw/zinc/28/38/80/950283880.db2.gz RHLUOFWZWXZMAP-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193061 950283900 /nfs/dbraw/zinc/28/39/00/950283900.db2.gz RHLUOFWZWXZMAP-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)CCCCC1 ZINC001575592607 950290732 /nfs/dbraw/zinc/29/07/32/950290732.db2.gz CIOWAVFRTYUJSR-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)CCCCC1 ZINC001575592607 950290749 /nfs/dbraw/zinc/29/07/49/950290749.db2.gz CIOWAVFRTYUJSR-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCN(C)C1=O ZINC001574158811 950292097 /nfs/dbraw/zinc/29/20/97/950292097.db2.gz TUYIASJMIXEKLU-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCN(C)C1=O ZINC001574158811 950292115 /nfs/dbraw/zinc/29/21/15/950292115.db2.gz TUYIASJMIXEKLU-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574499047 950294202 /nfs/dbraw/zinc/29/42/02/950294202.db2.gz RSIMNVBUGBFKDF-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574499047 950294222 /nfs/dbraw/zinc/29/42/22/950294222.db2.gz RSIMNVBUGBFKDF-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574159228 950295477 /nfs/dbraw/zinc/29/54/77/950295477.db2.gz UMDYWBVBCGXFFE-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574159228 950295494 /nfs/dbraw/zinc/29/54/94/950295494.db2.gz UMDYWBVBCGXFFE-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574742596 950298339 /nfs/dbraw/zinc/29/83/39/950298339.db2.gz PNQFAAFBDADVAF-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1OCCCO1 ZINC001574159270 950299969 /nfs/dbraw/zinc/29/99/69/950299969.db2.gz VLPYTCZKYFZVNN-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1OCCCO1 ZINC001574159270 950299988 /nfs/dbraw/zinc/29/99/88/950299988.db2.gz VLPYTCZKYFZVNN-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)n1cccc1 ZINC001574499216 950300346 /nfs/dbraw/zinc/30/03/46/950300346.db2.gz TZOSGNXZLOTDEQ-ZDUSSCGKSA-N -1 1 381.444 0.982 20 0 GCADMM C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193505 950303512 /nfs/dbraw/zinc/30/35/12/950303512.db2.gz VODMDJXENMKLKH-QSLWVIQJSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193505 950303535 /nfs/dbraw/zinc/30/35/35/950303535.db2.gz VODMDJXENMKLKH-QSLWVIQJSA-N -1 1 384.444 0.446 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574159310 950303557 /nfs/dbraw/zinc/30/35/57/950303557.db2.gz WDVYVPFLLANIMW-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574159310 950303586 /nfs/dbraw/zinc/30/35/86/950303586.db2.gz WDVYVPFLLANIMW-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001574500279 950312464 /nfs/dbraw/zinc/31/24/64/950312464.db2.gz ZGRBSMQWZSVLQG-OCCSQVGLSA-N -1 1 388.476 0.574 20 0 GCADMM CC1(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001575593536 950315348 /nfs/dbraw/zinc/31/53/48/950315348.db2.gz HKCOSEKXNMUQGC-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001575593536 950315370 /nfs/dbraw/zinc/31/53/70/950315370.db2.gz HKCOSEKXNMUQGC-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193918 950318717 /nfs/dbraw/zinc/31/87/17/950318717.db2.gz WAPOFYZPOYRHAO-TZMCWYRMSA-N -1 1 381.444 0.627 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)n1cncn1 ZINC001574159832 950322372 /nfs/dbraw/zinc/32/23/72/950322372.db2.gz KETYPDNAGZKMCG-VXGBXAGGSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)n1cncn1 ZINC001574159832 950322385 /nfs/dbraw/zinc/32/23/85/950322385.db2.gz KETYPDNAGZKMCG-VXGBXAGGSA-N -1 1 385.436 0.452 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCCO2)CCCC1 ZINC001575594048 950326034 /nfs/dbraw/zinc/32/60/34/950326034.db2.gz JHEXUROCMWNANW-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCCO2)CCCC1 ZINC001575594049 950327120 /nfs/dbraw/zinc/32/71/20/950327120.db2.gz JHEXUROCMWNANW-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Cn1cc(-c3nn[n-]n3)nn1)OC2=O ZINC001573853506 950327426 /nfs/dbraw/zinc/32/74/26/950327426.db2.gz QKMFCTXLOWBQBU-SECBINFHSA-N -1 1 376.377 0.011 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001573853737 950329460 /nfs/dbraw/zinc/32/94/60/950329460.db2.gz UYMDNCDRBDZLIY-KRWDZBQOSA-N -1 1 389.416 0.363 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001573853737 950329488 /nfs/dbraw/zinc/32/94/88/950329488.db2.gz UYMDNCDRBDZLIY-KRWDZBQOSA-N -1 1 389.416 0.363 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194200 950329986 /nfs/dbraw/zinc/32/99/86/950329986.db2.gz XNESJFWCULYEDT-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194200 950330008 /nfs/dbraw/zinc/33/00/08/950330008.db2.gz XNESJFWCULYEDT-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573853952 950331777 /nfs/dbraw/zinc/33/17/77/950331777.db2.gz VGBUAJFXPPZSFU-MNOVXSKESA-N -1 1 378.389 0.560 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573853952 950331798 /nfs/dbraw/zinc/33/17/98/950331798.db2.gz VGBUAJFXPPZSFU-MNOVXSKESA-N -1 1 378.389 0.560 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576194322 950339512 /nfs/dbraw/zinc/33/95/12/950339512.db2.gz YXDMXSHNFBSJGC-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576194322 950339533 /nfs/dbraw/zinc/33/95/33/950339533.db2.gz YXDMXSHNFBSJGC-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576194464 950341192 /nfs/dbraw/zinc/34/11/92/950341192.db2.gz ZBRIAAYNQOCOES-GHMZBOCLSA-N -1 1 385.457 0.745 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574501879 950345762 /nfs/dbraw/zinc/34/57/62/950345762.db2.gz HCMKELXJSKSPSL-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576194495 950346853 /nfs/dbraw/zinc/34/68/53/950346853.db2.gz ZJOLNCWIWYFDGN-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576194495 950346874 /nfs/dbraw/zinc/34/68/74/950346874.db2.gz ZJOLNCWIWYFDGN-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576194494 950347818 /nfs/dbraw/zinc/34/78/18/950347818.db2.gz ZJOLNCWIWYFDGN-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576194494 950347844 /nfs/dbraw/zinc/34/78/44/950347844.db2.gz ZJOLNCWIWYFDGN-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194522 950349218 /nfs/dbraw/zinc/34/92/18/950349218.db2.gz ZQHRJKZXZDRHGL-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194522 950349239 /nfs/dbraw/zinc/34/92/39/950349239.db2.gz ZQHRJKZXZDRHGL-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574502030 950352651 /nfs/dbraw/zinc/35/26/51/950352651.db2.gz IDKZBAPIKRGTRS-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574502030 950352672 /nfs/dbraw/zinc/35/26/72/950352672.db2.gz IDKZBAPIKRGTRS-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM CC1(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575596001 950366099 /nfs/dbraw/zinc/36/60/99/950366099.db2.gz RHSWRTQCUGPSPM-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)CCCCC1 ZINC001575596139 950366286 /nfs/dbraw/zinc/36/62/86/950366286.db2.gz SCAAGUITIMXNRC-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)CCCCC1 ZINC001575596139 950366303 /nfs/dbraw/zinc/36/63/03/950366303.db2.gz SCAAGUITIMXNRC-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574744970 950366352 /nfs/dbraw/zinc/36/63/52/950366352.db2.gz DJRFBEWNVUQHHN-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574744970 950366372 /nfs/dbraw/zinc/36/63/72/950366372.db2.gz DJRFBEWNVUQHHN-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574744969 950368665 /nfs/dbraw/zinc/36/86/65/950368665.db2.gz DJRFBEWNVUQHHN-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574744969 950368688 /nfs/dbraw/zinc/36/86/88/950368688.db2.gz DJRFBEWNVUQHHN-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574745144 950370783 /nfs/dbraw/zinc/37/07/83/950370783.db2.gz FOZRIFOGIYZIET-SNVBAGLBSA-N -1 1 385.432 0.937 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574502414 950379852 /nfs/dbraw/zinc/37/98/52/950379852.db2.gz NDIGEGLPHWXDCY-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574502414 950379873 /nfs/dbraw/zinc/37/98/73/950379873.db2.gz NDIGEGLPHWXDCY-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574502415 950380412 /nfs/dbraw/zinc/38/04/12/950380412.db2.gz NDIGEGLPHWXDCY-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574502415 950380429 /nfs/dbraw/zinc/38/04/29/950380429.db2.gz NDIGEGLPHWXDCY-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCNC1=O ZINC001574162490 950384202 /nfs/dbraw/zinc/38/42/02/950384202.db2.gz BNNYGYZPTFOWEZ-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCNC1=O ZINC001574162490 950384219 /nfs/dbraw/zinc/38/42/19/950384219.db2.gz BNNYGYZPTFOWEZ-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574502491 950384618 /nfs/dbraw/zinc/38/46/18/950384618.db2.gz OAAGVFMXKGTCEU-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574502491 950384642 /nfs/dbraw/zinc/38/46/42/950384642.db2.gz OAAGVFMXKGTCEU-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2ncncc2-c2nn[n-]n2)C[C@@H]1CCO ZINC001573856802 950392107 /nfs/dbraw/zinc/39/21/07/950392107.db2.gz JIDKMWPFURDOGM-NSHDSACASA-N -1 1 376.421 0.465 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574502859 950393249 /nfs/dbraw/zinc/39/32/49/950393249.db2.gz RFXHSDVCVHVYRB-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574502859 950393272 /nfs/dbraw/zinc/39/32/72/950393272.db2.gz RFXHSDVCVHVYRB-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575596941 950395123 /nfs/dbraw/zinc/39/51/23/950395123.db2.gz JVFVZYBKQHSGMS-QWHCGFSZSA-N -1 1 386.460 0.592 20 0 GCADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nn1C ZINC001574746309 950398377 /nfs/dbraw/zinc/39/83/77/950398377.db2.gz NJCRWOAOPVOKIM-NSHDSACASA-N -1 1 384.448 0.508 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574746773 950400682 /nfs/dbraw/zinc/40/06/82/950400682.db2.gz PCNGINYYQXXNGF-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574162838 950403575 /nfs/dbraw/zinc/40/35/75/950403575.db2.gz JXYLPNJRCVSJRQ-NEPJUHHUSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574162838 950403593 /nfs/dbraw/zinc/40/35/93/950403593.db2.gz JXYLPNJRCVSJRQ-NEPJUHHUSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)C2 ZINC001573857681 950407390 /nfs/dbraw/zinc/40/73/90/950407390.db2.gz WOESNEWMORWSII-VWYCJHECSA-N -1 1 389.420 0.115 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574503385 950409296 /nfs/dbraw/zinc/40/92/96/950409296.db2.gz VDUUIPJMXXEZKF-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574503385 950409310 /nfs/dbraw/zinc/40/93/10/950409310.db2.gz VDUUIPJMXXEZKF-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574503501 950415082 /nfs/dbraw/zinc/41/50/82/950415082.db2.gz XMCFSVWVLOWMFW-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574503501 950415095 /nfs/dbraw/zinc/41/50/95/950415095.db2.gz XMCFSVWVLOWMFW-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574747900 950421078 /nfs/dbraw/zinc/42/10/78/950421078.db2.gz ZYFIXRAAKGEXLV-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574163592 950431595 /nfs/dbraw/zinc/43/15/95/950431595.db2.gz WQLWPXPGAAUXQS-SNVBAGLBSA-N -1 1 386.420 0.352 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911161 950436593 /nfs/dbraw/zinc/43/65/93/950436593.db2.gz DJGUJKSVJQNZCX-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911161 950436616 /nfs/dbraw/zinc/43/66/16/950436616.db2.gz DJGUJKSVJQNZCX-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911152 950438814 /nfs/dbraw/zinc/43/88/14/950438814.db2.gz DJGUJKSVJQNZCX-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911152 950438827 /nfs/dbraw/zinc/43/88/27/950438827.db2.gz DJGUJKSVJQNZCX-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574163861 950441925 /nfs/dbraw/zinc/44/19/25/950441925.db2.gz ZRJONQTUKKRKJT-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574163861 950441936 /nfs/dbraw/zinc/44/19/36/950441936.db2.gz ZRJONQTUKKRKJT-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573861314 950443942 /nfs/dbraw/zinc/44/39/42/950443942.db2.gz YANPWOOLAXKCLP-SCZZXKLOSA-N -1 1 378.393 0.458 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573861314 950443957 /nfs/dbraw/zinc/44/39/57/950443957.db2.gz YANPWOOLAXKCLP-SCZZXKLOSA-N -1 1 378.393 0.458 20 0 GCADMM CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001573861327 950445143 /nfs/dbraw/zinc/44/51/43/950445143.db2.gz YOXMEWSDDSGHLN-FVMDXXJSSA-N -1 1 392.420 0.748 20 0 GCADMM C[C@H](CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574507091 950445849 /nfs/dbraw/zinc/44/58/49/950445849.db2.gz CHIMCNKDFCFDBU-NEPJUHHUSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@H](CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574507091 950445863 /nfs/dbraw/zinc/44/58/63/950445863.db2.gz CHIMCNKDFCFDBU-NEPJUHHUSA-N -1 1 384.448 0.891 20 0 GCADMM CC(C)CC1(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574165545 950449815 /nfs/dbraw/zinc/44/98/15/950449815.db2.gz GXFGLOAULYXZGZ-ZDUSSCGKSA-N -1 1 388.476 0.574 20 0 GCADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001575604675 950450844 /nfs/dbraw/zinc/45/08/44/950450844.db2.gz FHQMBYFMHWJHEW-BNOWGMLFSA-N -1 1 384.444 0.699 20 0 GCADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001575604675 950450858 /nfs/dbraw/zinc/45/08/58/950450858.db2.gz FHQMBYFMHWJHEW-BNOWGMLFSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574751038 950452831 /nfs/dbraw/zinc/45/28/31/950452831.db2.gz KGGVICSGRPPCCP-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574751038 950452840 /nfs/dbraw/zinc/45/28/40/950452840.db2.gz KGGVICSGRPPCCP-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574507322 950456292 /nfs/dbraw/zinc/45/62/92/950456292.db2.gz HWOGJYWPSWYDKJ-IHRRRGAJSA-N -1 1 381.444 0.838 20 0 GCADMM CC(C)C[C@@]1(C(=O)NCCCNc2cnc(-c3nnn[n-]3)cn2)CCNC1=O ZINC001574166427 950466329 /nfs/dbraw/zinc/46/63/29/950466329.db2.gz RPVQORRNVMHYID-QGZVFWFLSA-N -1 1 387.448 0.127 20 0 GCADMM CC(C)C[C@@]1(C(=O)NCCCNc2cnc(-c3nn[n-]n3)cn2)CCNC1=O ZINC001574166427 950466341 /nfs/dbraw/zinc/46/63/41/950466341.db2.gz RPVQORRNVMHYID-QGZVFWFLSA-N -1 1 387.448 0.127 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccn1 ZINC001574508026 950468406 /nfs/dbraw/zinc/46/84/06/950468406.db2.gz LQKFHLZSCNTXGN-HZSPNIEDSA-N -1 1 396.459 0.693 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccn1 ZINC001574508026 950468433 /nfs/dbraw/zinc/46/84/33/950468433.db2.gz LQKFHLZSCNTXGN-HZSPNIEDSA-N -1 1 396.459 0.693 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574508170 950471355 /nfs/dbraw/zinc/47/13/55/950471355.db2.gz JYEONQCODXYFPM-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575605595 950471492 /nfs/dbraw/zinc/47/14/92/950471492.db2.gz NVFDCLYGTRNMGS-SNUQEOBHSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752125 950473741 /nfs/dbraw/zinc/47/37/41/950473741.db2.gz TXEJKJYOSARCBW-LBPRGKRZSA-N -1 1 381.444 0.789 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752299 950477507 /nfs/dbraw/zinc/47/75/07/950477507.db2.gz AFZHMIVWSMNGOY-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752299 950477525 /nfs/dbraw/zinc/47/75/25/950477525.db2.gz AFZHMIVWSMNGOY-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574508277 950477997 /nfs/dbraw/zinc/47/79/97/950477997.db2.gz NAUDQYAXMSXNQK-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574508277 950478013 /nfs/dbraw/zinc/47/80/13/950478013.db2.gz NAUDQYAXMSXNQK-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)CCCCCC1 ZINC001575605822 950486445 /nfs/dbraw/zinc/48/64/45/950486445.db2.gz WCDOMDOYLHTYAC-KGLIPLIRSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)CCCCCC1 ZINC001575605822 950486460 /nfs/dbraw/zinc/48/64/60/950486460.db2.gz WCDOMDOYLHTYAC-KGLIPLIRSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1nccnc1-c1nnn[n-]1 ZINC001574752532 950487211 /nfs/dbraw/zinc/48/72/11/950487211.db2.gz XSWSDQVZARXQQO-JTQLQIEISA-N -1 1 386.420 0.279 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574994965 950498188 /nfs/dbraw/zinc/49/81/88/950498188.db2.gz BKKAGHUILFOASE-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574994965 950498195 /nfs/dbraw/zinc/49/81/95/950498195.db2.gz BKKAGHUILFOASE-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574995253 950501010 /nfs/dbraw/zinc/50/10/10/950501010.db2.gz CKNAGHPEFBOUQE-SSDOTTSWSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574995253 950501029 /nfs/dbraw/zinc/50/10/29/950501029.db2.gz CKNAGHPEFBOUQE-SSDOTTSWSA-N -1 1 378.347 0.795 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573866462 950502620 /nfs/dbraw/zinc/50/26/20/950502620.db2.gz CXNBHZGGNQKNFV-QGZVFWFLSA-N -1 1 390.448 0.237 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573866462 950502642 /nfs/dbraw/zinc/50/26/42/950502642.db2.gz CXNBHZGGNQKNFV-QGZVFWFLSA-N -1 1 390.448 0.237 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752952 950504438 /nfs/dbraw/zinc/50/44/38/950504438.db2.gz GXNOHHIEIYYWCH-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752952 950504451 /nfs/dbraw/zinc/50/44/51/950504451.db2.gz GXNOHHIEIYYWCH-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n(C)n1 ZINC001574995714 950517092 /nfs/dbraw/zinc/51/70/92/950517092.db2.gz HNMFAKLXGNQXEE-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n(C)n1 ZINC001574995714 950517107 /nfs/dbraw/zinc/51/71/07/950517107.db2.gz HNMFAKLXGNQXEE-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573866757 950516860 /nfs/dbraw/zinc/51/68/60/950516860.db2.gz LJFDFEFEQFEEHF-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001574169588 950522888 /nfs/dbraw/zinc/52/28/88/950522888.db2.gz AYUPHDUSSCNAKQ-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001574169588 950522902 /nfs/dbraw/zinc/52/29/02/950522902.db2.gz AYUPHDUSSCNAKQ-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574996338 950523099 /nfs/dbraw/zinc/52/30/99/950523099.db2.gz LMKRCXUERXFYLC-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574996338 950523118 /nfs/dbraw/zinc/52/31/18/950523118.db2.gz LMKRCXUERXFYLC-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574996339 950525099 /nfs/dbraw/zinc/52/50/99/950525099.db2.gz LMKRCXUERXFYLC-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574996339 950525116 /nfs/dbraw/zinc/52/51/16/950525116.db2.gz LMKRCXUERXFYLC-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@]1(C(N)=O)CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C1 ZINC001575614393 950527580 /nfs/dbraw/zinc/52/75/80/950527580.db2.gz APQUPASITHRBPV-HNNXBMFYSA-N -1 1 392.466 0.967 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574509773 950532415 /nfs/dbraw/zinc/53/24/15/950532415.db2.gz XWSLVHYFHVCMPH-LPEHRKFASA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)[C@@H]1CCCO1 ZINC001574510044 950540585 /nfs/dbraw/zinc/54/05/85/950540585.db2.gz YTLUKOQLNYULFR-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)[C@@H]1CCCO1 ZINC001574510044 950540607 /nfs/dbraw/zinc/54/06/07/950540607.db2.gz YTLUKOQLNYULFR-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574510019 950541768 /nfs/dbraw/zinc/54/17/68/950541768.db2.gz YIHDMTRWGOCOOE-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574510019 950541789 /nfs/dbraw/zinc/54/17/89/950541789.db2.gz YIHDMTRWGOCOOE-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1F ZINC001574510048 950541865 /nfs/dbraw/zinc/54/18/65/950541865.db2.gz YUMYHZTTXIDRJX-SNVBAGLBSA-N -1 1 387.375 0.578 20 0 GCADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)[C@H]1CCCO1 ZINC001574510042 950542554 /nfs/dbraw/zinc/54/25/54/950542554.db2.gz YTLUKOQLNYULFR-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)[C@H]1CCCO1 ZINC001574510042 950542563 /nfs/dbraw/zinc/54/25/63/950542563.db2.gz YTLUKOQLNYULFR-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575614770 950551261 /nfs/dbraw/zinc/55/12/61/950551261.db2.gz PIMASVSRNLFYPM-OXRQTFEDSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575614770 950551275 /nfs/dbraw/zinc/55/12/75/950551275.db2.gz PIMASVSRNLFYPM-OXRQTFEDSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccn1 ZINC001574511100 950552569 /nfs/dbraw/zinc/55/25/69/950552569.db2.gz GECGGLXPBJJRPP-MBNYWOFBSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccn1 ZINC001574511100 950552584 /nfs/dbraw/zinc/55/25/84/950552584.db2.gz GECGGLXPBJJRPP-MBNYWOFBSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1ccco1 ZINC001574511065 950552741 /nfs/dbraw/zinc/55/27/41/950552741.db2.gz FNOFTSFVEVOVCC-RTXFEEFZSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccco1 ZINC001574511065 950552757 /nfs/dbraw/zinc/55/27/57/950552757.db2.gz FNOFTSFVEVOVCC-RTXFEEFZSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574754061 950557559 /nfs/dbraw/zinc/55/75/59/950557559.db2.gz WSCRXLXLZXRPNX-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574754061 950557581 /nfs/dbraw/zinc/55/75/81/950557581.db2.gz WSCRXLXLZXRPNX-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999014 950562096 /nfs/dbraw/zinc/56/20/96/950562096.db2.gz CVEZGEGLHPZOMD-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574999441 950578278 /nfs/dbraw/zinc/57/82/78/950578278.db2.gz JXVISRZMNZOYKA-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574999441 950578299 /nfs/dbraw/zinc/57/82/99/950578299.db2.gz JXVISRZMNZOYKA-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccn1 ZINC001574511908 950578420 /nfs/dbraw/zinc/57/84/20/950578420.db2.gz VXHNOAKIDAHZFM-FRRDWIJNSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccn1 ZINC001574511908 950578450 /nfs/dbraw/zinc/57/84/50/950578450.db2.gz VXHNOAKIDAHZFM-FRRDWIJNSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574999288 950578744 /nfs/dbraw/zinc/57/87/44/950578744.db2.gz ITBYOJRDQQPAKE-VIFPVBQESA-N -1 1 375.824 0.903 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574999288 950578766 /nfs/dbraw/zinc/57/87/66/950578766.db2.gz ITBYOJRDQQPAKE-VIFPVBQESA-N -1 1 375.824 0.903 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccn1 ZINC001574511956 950580653 /nfs/dbraw/zinc/58/06/53/950580653.db2.gz XSGZRTJUHNYQFV-FRRDWIJNSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574511962 950581266 /nfs/dbraw/zinc/58/12/66/950581266.db2.gz XYANMAFAHXYESB-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574511962 950581281 /nfs/dbraw/zinc/58/12/81/950581281.db2.gz XYANMAFAHXYESB-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)n1ccnc1 ZINC001574512720 950587145 /nfs/dbraw/zinc/58/71/45/950587145.db2.gz AUGOVTYSXNEENX-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575918133 950587376 /nfs/dbraw/zinc/58/73/76/950587376.db2.gz AOCGOBPWKLWFRG-HTQZYQBOSA-N -1 1 391.848 0.904 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1(C)C ZINC001575616534 950588669 /nfs/dbraw/zinc/58/86/69/950588669.db2.gz QTTKIFDSSXCUSL-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1(C)C ZINC001575616534 950588682 /nfs/dbraw/zinc/58/86/82/950588682.db2.gz QTTKIFDSSXCUSL-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573870367 950589368 /nfs/dbraw/zinc/58/93/68/950589368.db2.gz VMRDTCTZQVIKDZ-VXGBXAGGSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574999785 950589746 /nfs/dbraw/zinc/58/97/46/950589746.db2.gz NOCOUTBNGZDJOD-SSDOTTSWSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574999785 950589762 /nfs/dbraw/zinc/58/97/62/950589762.db2.gz NOCOUTBNGZDJOD-SSDOTTSWSA-N -1 1 376.331 0.615 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573870208 950590936 /nfs/dbraw/zinc/59/09/36/950590936.db2.gz GUWYPEKPOCSGLX-KRWDZBQOSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573870208 950590950 /nfs/dbraw/zinc/59/09/50/950590950.db2.gz GUWYPEKPOCSGLX-KRWDZBQOSA-N -1 1 390.448 0.183 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000087 950592840 /nfs/dbraw/zinc/59/28/40/950592840.db2.gz AHBQHWJAVULCBD-JTQLQIEISA-N -1 1 381.400 0.607 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000087 950592850 /nfs/dbraw/zinc/59/28/50/950592850.db2.gz AHBQHWJAVULCBD-JTQLQIEISA-N -1 1 381.400 0.607 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@H](N(CCO)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574173426 950593700 /nfs/dbraw/zinc/59/37/00/950593700.db2.gz JAWACYPAWIZHAS-AWEZNQCLSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@H](N(CCO)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574173426 950593721 /nfs/dbraw/zinc/59/37/21/950593721.db2.gz JAWACYPAWIZHAS-AWEZNQCLSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1nccn2ccnc12 ZINC001575918499 950596643 /nfs/dbraw/zinc/59/66/43/950596643.db2.gz CSAZFTLZLXONHT-QWRGUYRKSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1nccn2ccnc12 ZINC001575918499 950596652 /nfs/dbraw/zinc/59/66/52/950596652.db2.gz CSAZFTLZLXONHT-QWRGUYRKSA-N -1 1 391.399 0.415 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001575918503 950597960 /nfs/dbraw/zinc/59/79/60/950597960.db2.gz CVHFYGURWDODBS-RYUDHWBXSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000213 950600955 /nfs/dbraw/zinc/60/09/55/950600955.db2.gz PUSFPZZVALEFOR-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000213 950600971 /nfs/dbraw/zinc/60/09/71/950600971.db2.gz PUSFPZZVALEFOR-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575000201 950601087 /nfs/dbraw/zinc/60/10/87/950601087.db2.gz PRJMGELTUWYLEF-MRVPVSSYSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575000201 950601121 /nfs/dbraw/zinc/60/11/21/950601121.db2.gz PRJMGELTUWYLEF-MRVPVSSYSA-N -1 1 390.358 0.862 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573870898 950606253 /nfs/dbraw/zinc/60/62/53/950606253.db2.gz ZMGITADZZYCANQ-LBPRGKRZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758319 950607686 /nfs/dbraw/zinc/60/76/86/950607686.db2.gz ATDGCXIWDKIPGM-SECBINFHSA-N -1 1 389.370 0.984 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001575000559 950608011 /nfs/dbraw/zinc/60/80/11/950608011.db2.gz QIMZSNFYDJLKTF-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001575000559 950608024 /nfs/dbraw/zinc/60/80/24/950608024.db2.gz QIMZSNFYDJLKTF-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)n1cccn1 ZINC001574513534 950611089 /nfs/dbraw/zinc/61/10/89/950611089.db2.gz SCZSIYQCMCORHG-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575919410 950612678 /nfs/dbraw/zinc/61/26/78/950612678.db2.gz HTYSHVCYMZGOFR-JSGCOSHPSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000779 950614011 /nfs/dbraw/zinc/61/40/11/950614011.db2.gz SJJQEHBSMVYNRD-SSDOTTSWSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000779 950614027 /nfs/dbraw/zinc/61/40/27/950614027.db2.gz SJJQEHBSMVYNRD-SSDOTTSWSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575919586 950616248 /nfs/dbraw/zinc/61/62/48/950616248.db2.gz HXIHFDDQGXYAAO-RISCZKNCSA-N -1 1 382.403 0.862 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575619139 950616737 /nfs/dbraw/zinc/61/67/37/950616737.db2.gz MYPSZSCAUZHLAP-LLVKDONJSA-N -1 1 386.460 0.978 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575619139 950616744 /nfs/dbraw/zinc/61/67/44/950616744.db2.gz MYPSZSCAUZHLAP-LLVKDONJSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575919679 950617330 /nfs/dbraw/zinc/61/73/30/950617330.db2.gz JRHRPIWVZZCQBR-ZYHUDNBSSA-N -1 1 379.428 0.611 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758589 950618885 /nfs/dbraw/zinc/61/88/85/950618885.db2.gz DYECUCRYIGAOFX-GFCCVEGCSA-N -1 1 381.444 0.717 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575001100 950619594 /nfs/dbraw/zinc/61/95/94/950619594.db2.gz SMVFTSJWKWYQSA-VIFPVBQESA-N -1 1 375.824 0.903 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575001100 950619606 /nfs/dbraw/zinc/61/96/06/950619606.db2.gz SMVFTSJWKWYQSA-VIFPVBQESA-N -1 1 375.824 0.903 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575920242 950626770 /nfs/dbraw/zinc/62/67/70/950626770.db2.gz LQIJSRAZLNREIO-NHYWBVRUSA-N -1 1 392.423 0.824 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001500 950631350 /nfs/dbraw/zinc/63/13/50/950631350.db2.gz LRYVDMJGKOTERG-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001500 950631362 /nfs/dbraw/zinc/63/13/62/950631362.db2.gz LRYVDMJGKOTERG-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575920592 950631777 /nfs/dbraw/zinc/63/17/77/950631777.db2.gz MQDTXHULKPNRFM-IUCAKERBSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574516265 950633342 /nfs/dbraw/zinc/63/33/42/950633342.db2.gz GWINCJLSWMCXSS-DRZSPHRISA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574516265 950633357 /nfs/dbraw/zinc/63/33/57/950633357.db2.gz GWINCJLSWMCXSS-DRZSPHRISA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574516423 950637140 /nfs/dbraw/zinc/63/71/40/950637140.db2.gz IHUJDVPUTAKWBU-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574516423 950637158 /nfs/dbraw/zinc/63/71/58/950637158.db2.gz IHUJDVPUTAKWBU-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575921619 950639010 /nfs/dbraw/zinc/63/90/10/950639010.db2.gz OCABZDSSYYAHFR-RISCZKNCSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575001702 950639348 /nfs/dbraw/zinc/63/93/48/950639348.db2.gz XZAJDDOBUHDYFQ-SECBINFHSA-N -1 1 381.400 0.865 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575001702 950639363 /nfs/dbraw/zinc/63/93/63/950639363.db2.gz XZAJDDOBUHDYFQ-SECBINFHSA-N -1 1 381.400 0.865 20 0 GCADMM C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001576213694 950639537 /nfs/dbraw/zinc/63/95/37/950639537.db2.gz GUBJIMFQUZGGLY-UWVGGRQHSA-N -1 1 391.432 0.058 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575921591 950641576 /nfs/dbraw/zinc/64/15/76/950641576.db2.gz NZWMALBGFFIBOI-ZYHUDNBSSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575921591 950641591 /nfs/dbraw/zinc/64/15/91/950641591.db2.gz NZWMALBGFFIBOI-ZYHUDNBSSA-N -1 1 386.395 0.538 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573873495 950644136 /nfs/dbraw/zinc/64/41/36/950644136.db2.gz MHNCKPXLOQBJHZ-JOCQHMNTSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574759828 950646363 /nfs/dbraw/zinc/64/63/63/950646363.db2.gz FVPQPOBKCIAMLM-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574759828 950646372 /nfs/dbraw/zinc/64/63/72/950646372.db2.gz FVPQPOBKCIAMLM-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@H]1CCCO1 ZINC001574517734 950646616 /nfs/dbraw/zinc/64/66/16/950646616.db2.gz LUPQGUYTJJXAOC-IGXHCJPISA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@H]1CCCO1 ZINC001574517734 950646632 /nfs/dbraw/zinc/64/66/32/950646632.db2.gz LUPQGUYTJJXAOC-IGXHCJPISA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574517670 950647346 /nfs/dbraw/zinc/64/73/46/950647346.db2.gz LDDXUETUCUDBHV-DRZSPHRISA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574517670 950647356 /nfs/dbraw/zinc/64/73/56/950647356.db2.gz LDDXUETUCUDBHV-DRZSPHRISA-N -1 1 382.432 0.643 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574175008 950648112 /nfs/dbraw/zinc/64/81/12/950648112.db2.gz WNHBZVRSDKLPFB-CQSZACIVSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574175008 950648119 /nfs/dbraw/zinc/64/81/19/950648119.db2.gz WNHBZVRSDKLPFB-CQSZACIVSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575002094 950649698 /nfs/dbraw/zinc/64/96/98/950649698.db2.gz YXWOGQWGHPPLSC-VIFPVBQESA-N -1 1 381.400 0.865 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575002094 950649715 /nfs/dbraw/zinc/64/97/15/950649715.db2.gz YXWOGQWGHPPLSC-VIFPVBQESA-N -1 1 381.400 0.865 20 0 GCADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573873597 950650044 /nfs/dbraw/zinc/65/00/44/950650044.db2.gz SZQDUZMBDNIWOO-SGTLLEGYSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573873597 950650055 /nfs/dbraw/zinc/65/00/55/950650055.db2.gz SZQDUZMBDNIWOO-SGTLLEGYSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573873554 950650473 /nfs/dbraw/zinc/65/04/73/950650473.db2.gz QKGVINFFJJDJGP-SGTLLEGYSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573873554 950650483 /nfs/dbraw/zinc/65/04/83/950650483.db2.gz QKGVINFFJJDJGP-SGTLLEGYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576213839 950650944 /nfs/dbraw/zinc/65/09/44/950650944.db2.gz JGMQLQIIEQHCHR-PWSUYJOCSA-N -1 1 383.416 0.897 20 0 GCADMM C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576213839 950650955 /nfs/dbraw/zinc/65/09/55/950650955.db2.gz JGMQLQIIEQHCHR-PWSUYJOCSA-N -1 1 383.416 0.897 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575623561 950652976 /nfs/dbraw/zinc/65/29/76/950652976.db2.gz CPHFXFJRCUTTNN-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575623561 950652987 /nfs/dbraw/zinc/65/29/87/950652987.db2.gz CPHFXFJRCUTTNN-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575922961 950654751 /nfs/dbraw/zinc/65/47/51/950654751.db2.gz BEQMKPNGTRVIBD-MFKMUULPSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575922961 950654758 /nfs/dbraw/zinc/65/47/58/950654758.db2.gz BEQMKPNGTRVIBD-MFKMUULPSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575923260 950654968 /nfs/dbraw/zinc/65/49/68/950654968.db2.gz PZWMQCRDPVSVKZ-GXSJLCMTSA-N -1 1 380.416 0.394 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575923343 950657850 /nfs/dbraw/zinc/65/78/50/950657850.db2.gz RBISLSIASWXOFR-PSASIEDQSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575002466 950660315 /nfs/dbraw/zinc/66/03/15/950660315.db2.gz UGSWVYUPRJGBRN-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575002466 950660335 /nfs/dbraw/zinc/66/03/35/950660335.db2.gz UGSWVYUPRJGBRN-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760529 950669222 /nfs/dbraw/zinc/66/92/22/950669222.db2.gz WOBGVUZPFNXNGN-MRVPVSSYSA-N -1 1 378.347 0.243 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576214495 950670427 /nfs/dbraw/zinc/67/04/27/950670427.db2.gz AWMSWGRFCQUXRZ-QMTHXVAHSA-N -1 1 382.432 0.038 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760645 950670960 /nfs/dbraw/zinc/67/09/60/950670960.db2.gz KPOCNVJDGZZVHI-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760645 950670972 /nfs/dbraw/zinc/67/09/72/950670972.db2.gz KPOCNVJDGZZVHI-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001575924361 950672969 /nfs/dbraw/zinc/67/29/69/950672969.db2.gz FFODHTJVMMGXSU-MWLCHTKSSA-N -1 1 391.399 0.643 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575002864 950673590 /nfs/dbraw/zinc/67/35/90/950673590.db2.gz XRFOUIJJLGRIRO-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575002864 950673604 /nfs/dbraw/zinc/67/36/04/950673604.db2.gz XRFOUIJJLGRIRO-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001576214516 950675008 /nfs/dbraw/zinc/67/50/08/950675008.db2.gz BIHCRPAAXXZESG-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001576214516 950675017 /nfs/dbraw/zinc/67/50/17/950675017.db2.gz BIHCRPAAXXZESG-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1ccco1 ZINC001574519510 950683142 /nfs/dbraw/zinc/68/31/42/950683142.db2.gz DYVMEKLDTJHXRG-RHPZDQPFSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1ccco1 ZINC001574519510 950683151 /nfs/dbraw/zinc/68/31/51/950683151.db2.gz DYVMEKLDTJHXRG-RHPZDQPFSA-N -1 1 380.412 0.994 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001575925294 950683288 /nfs/dbraw/zinc/68/32/88/950683288.db2.gz UCJSDMHBEQHRSY-VXGBXAGGSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3cncc(-c4nnn[n-]4)n3)c2C1 ZINC001576214749 950683555 /nfs/dbraw/zinc/68/35/55/950683555.db2.gz CALFXUOCUNQEEC-JTQLQIEISA-N -1 1 382.432 0.689 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3cncc(-c4nn[n-]n4)n3)c2C1 ZINC001576214749 950683566 /nfs/dbraw/zinc/68/35/66/950683566.db2.gz CALFXUOCUNQEEC-JTQLQIEISA-N -1 1 382.432 0.689 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574761007 950689058 /nfs/dbraw/zinc/68/90/58/950689058.db2.gz QAZYHNCJLPLDLQ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574761007 950689072 /nfs/dbraw/zinc/68/90/72/950689072.db2.gz QAZYHNCJLPLDLQ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNC(=O)c1cc2ccccc2oc1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575005556 950689101 /nfs/dbraw/zinc/68/91/01/950689101.db2.gz HUIYSRLMSZQRTH-JTQLQIEISA-N -1 1 392.379 0.994 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574519624 950689879 /nfs/dbraw/zinc/68/98/79/950689879.db2.gz XFQYBFMPDTZPCB-BNOWGMLFSA-N -1 1 379.428 0.727 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575925671 950690041 /nfs/dbraw/zinc/69/00/41/950690041.db2.gz HWKMQZLGZRQPSS-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575925671 950690057 /nfs/dbraw/zinc/69/00/57/950690057.db2.gz HWKMQZLGZRQPSS-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)c2C1 ZINC001576215207 950690154 /nfs/dbraw/zinc/69/01/54/950690154.db2.gz DRIMGPCIGYQWRO-JTQLQIEISA-N -1 1 382.432 0.371 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)c2C1 ZINC001576215207 950690175 /nfs/dbraw/zinc/69/01/75/950690175.db2.gz DRIMGPCIGYQWRO-JTQLQIEISA-N -1 1 382.432 0.371 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574761147 950693893 /nfs/dbraw/zinc/69/38/93/950693893.db2.gz RCOFBQUZWIQUDO-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574761147 950693900 /nfs/dbraw/zinc/69/39/00/950693900.db2.gz RCOFBQUZWIQUDO-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576215359 950696564 /nfs/dbraw/zinc/69/65/64/950696564.db2.gz FREIABWJYVFZSU-BMIGLBTASA-N -1 1 382.432 0.616 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573877789 950696974 /nfs/dbraw/zinc/69/69/74/950696974.db2.gz GJDDUMMDLAUZFQ-YNEHKIRRSA-N -1 1 386.460 0.978 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573877789 950696986 /nfs/dbraw/zinc/69/69/86/950696986.db2.gz GJDDUMMDLAUZFQ-YNEHKIRRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574762151 950698864 /nfs/dbraw/zinc/69/88/64/950698864.db2.gz VXAQEVDJLVRRKF-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574762151 950698880 /nfs/dbraw/zinc/69/88/80/950698880.db2.gz VXAQEVDJLVRRKF-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccc1 ZINC001574519771 950700071 /nfs/dbraw/zinc/70/00/71/950700071.db2.gz HZRWRTOBAMCLOI-CXTNEJHOSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccc1 ZINC001574519771 950700082 /nfs/dbraw/zinc/70/00/82/950700082.db2.gz HZRWRTOBAMCLOI-CXTNEJHOSA-N -1 1 379.428 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573878369 950703348 /nfs/dbraw/zinc/70/33/48/950703348.db2.gz OANXXRHWLGRIRI-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574762196 950704572 /nfs/dbraw/zinc/70/45/72/950704572.db2.gz XBDLWWIHEVFAMJ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574762196 950704586 /nfs/dbraw/zinc/70/45/86/950704586.db2.gz XBDLWWIHEVFAMJ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215653 950705974 /nfs/dbraw/zinc/70/59/74/950705974.db2.gz FRWHQHZCWGTNDP-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215653 950705988 /nfs/dbraw/zinc/70/59/88/950705988.db2.gz FRWHQHZCWGTNDP-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CN(c3nccnc3-c3nnn[n-]3)C[C@@H]1O)CC2 ZINC001575625992 950706656 /nfs/dbraw/zinc/70/66/56/950706656.db2.gz VXRMWASVRLZYGM-FCQYYXGDSA-N -1 1 398.471 0.539 20 0 GCADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CN(c3nccnc3-c3nn[n-]n3)C[C@@H]1O)CC2 ZINC001575625992 950706674 /nfs/dbraw/zinc/70/66/74/950706674.db2.gz VXRMWASVRLZYGM-FCQYYXGDSA-N -1 1 398.471 0.539 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CCCO1 ZINC001574520014 950709126 /nfs/dbraw/zinc/70/91/26/950709126.db2.gz ZSBLZOKQKBYNND-VBTGVMJWSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575926556 950713209 /nfs/dbraw/zinc/71/32/09/950713209.db2.gz XOCJZNMSJGPUEK-ZIAGYGMSSA-N -1 1 381.444 0.762 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575926662 950717649 /nfs/dbraw/zinc/71/76/49/950717649.db2.gz YAMHLDNXPLEIRZ-WPRPVWTQSA-N -1 1 390.358 0.385 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)nn3)cn2C1 ZINC001576215926 950717951 /nfs/dbraw/zinc/71/79/51/950717951.db2.gz HFMIXBFQKRGDIE-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)nn3)cn2C1 ZINC001576215926 950717960 /nfs/dbraw/zinc/71/79/60/950717960.db2.gz HFMIXBFQKRGDIE-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1ccnc1 ZINC001574520187 950718336 /nfs/dbraw/zinc/71/83/36/950718336.db2.gz NKJBBNHYDYFYQH-NMKXLXIOSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1ccnc1 ZINC001574520187 950718353 /nfs/dbraw/zinc/71/83/53/950718353.db2.gz NKJBBNHYDYFYQH-NMKXLXIOSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926855 950726724 /nfs/dbraw/zinc/72/67/24/950726724.db2.gz YRZDSRNTSQGAHL-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926855 950726740 /nfs/dbraw/zinc/72/67/40/950726740.db2.gz YRZDSRNTSQGAHL-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575926964 950727044 /nfs/dbraw/zinc/72/70/44/950727044.db2.gz NBDBKUCCDDBLNN-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575926964 950727056 /nfs/dbraw/zinc/72/70/56/950727056.db2.gz NBDBKUCCDDBLNN-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM CC1(C)CC(C(=O)NC2(CO)CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001575629031 950730325 /nfs/dbraw/zinc/73/03/25/950730325.db2.gz IVNTUWJOCGUQIB-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)NC2(CO)CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001575629031 950730336 /nfs/dbraw/zinc/73/03/36/950730336.db2.gz IVNTUWJOCGUQIB-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763757 950730963 /nfs/dbraw/zinc/73/09/63/950730963.db2.gz JUEHWWDOXDJCQQ-MRVPVSSYSA-N -1 1 392.374 0.322 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001575927033 950732001 /nfs/dbraw/zinc/73/20/01/950732001.db2.gz NEQSQAWDNBLCRA-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001575927033 950732020 /nfs/dbraw/zinc/73/20/20/950732020.db2.gz NEQSQAWDNBLCRA-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576216370 950733255 /nfs/dbraw/zinc/73/32/55/950733255.db2.gz ILDDTNCZHWYLGF-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576216370 950733269 /nfs/dbraw/zinc/73/32/69/950733269.db2.gz ILDDTNCZHWYLGF-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccncc1 ZINC001574520485 950735503 /nfs/dbraw/zinc/73/55/03/950735503.db2.gz SUUKMJYKPHRYSD-YYWXWVFPSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccncc1 ZINC001574520485 950735518 /nfs/dbraw/zinc/73/55/18/950735518.db2.gz SUUKMJYKPHRYSD-YYWXWVFPSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763980 950739348 /nfs/dbraw/zinc/73/93/48/950739348.db2.gz OHQFSESMRJXWTD-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763980 950739363 /nfs/dbraw/zinc/73/93/63/950739363.db2.gz OHQFSESMRJXWTD-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)no1 ZINC001573880221 950739983 /nfs/dbraw/zinc/73/99/83/950739983.db2.gz UHSWYADDWXGWPH-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)no1 ZINC001573880221 950739999 /nfs/dbraw/zinc/73/99/99/950739999.db2.gz UHSWYADDWXGWPH-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763879 950740461 /nfs/dbraw/zinc/74/04/61/950740461.db2.gz MWIITNCSCSRQBV-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763879 950740476 /nfs/dbraw/zinc/74/04/76/950740476.db2.gz MWIITNCSCSRQBV-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)no1 ZINC001573880077 950741677 /nfs/dbraw/zinc/74/16/77/950741677.db2.gz RFQHPLSHTOIRQU-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)no1 ZINC001573880077 950741687 /nfs/dbraw/zinc/74/16/87/950741687.db2.gz RFQHPLSHTOIRQU-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574181294 950743270 /nfs/dbraw/zinc/74/32/70/950743270.db2.gz LFNOPESBKDVLRK-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574181294 950743281 /nfs/dbraw/zinc/74/32/81/950743281.db2.gz LFNOPESBKDVLRK-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575927338 950744407 /nfs/dbraw/zinc/74/44/07/950744407.db2.gz PGXYKEWWODHGSE-GXSJLCMTSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575927338 950744419 /nfs/dbraw/zinc/74/44/19/950744419.db2.gz PGXYKEWWODHGSE-GXSJLCMTSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764230 950746112 /nfs/dbraw/zinc/74/61/12/950746112.db2.gz RNKPLXDMFNPYLI-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764230 950746125 /nfs/dbraw/zinc/74/61/25/950746125.db2.gz RNKPLXDMFNPYLI-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576216932 950746315 /nfs/dbraw/zinc/74/63/15/950746315.db2.gz KEZOMBNOCWGJID-NXEZZACHSA-N -1 1 382.432 0.157 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576216921 950746991 /nfs/dbraw/zinc/74/69/91/950746991.db2.gz KAFJSRKXNHOJGW-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576216921 950747004 /nfs/dbraw/zinc/74/70/04/950747004.db2.gz KAFJSRKXNHOJGW-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccc1 ZINC001574520739 950747379 /nfs/dbraw/zinc/74/73/79/950747379.db2.gz XZCJRZFTEZYFNF-FJZAXULXSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccc1 ZINC001574520739 950747395 /nfs/dbraw/zinc/74/73/95/950747395.db2.gz XZCJRZFTEZYFNF-FJZAXULXSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764251 950749649 /nfs/dbraw/zinc/74/96/49/950749649.db2.gz RSBXALUEZBZPJA-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764251 950749675 /nfs/dbraw/zinc/74/96/75/950749675.db2.gz RSBXALUEZBZPJA-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764434 950751472 /nfs/dbraw/zinc/75/14/72/950751472.db2.gz SSKPMLOADAJTOD-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764434 950751486 /nfs/dbraw/zinc/75/14/86/950751486.db2.gz SSKPMLOADAJTOD-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764467 950754515 /nfs/dbraw/zinc/75/45/15/950754515.db2.gz UALXVRTWTBPXCD-SNVBAGLBSA-N -1 1 380.416 0.319 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764679 950755758 /nfs/dbraw/zinc/75/57/58/950755758.db2.gz WEZYPXGEFURICE-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764679 950755778 /nfs/dbraw/zinc/75/57/78/950755778.db2.gz WEZYPXGEFURICE-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574182655 950762212 /nfs/dbraw/zinc/76/22/12/950762212.db2.gz YBUMYKIBAAXOHK-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574182655 950762226 /nfs/dbraw/zinc/76/22/26/950762226.db2.gz YBUMYKIBAAXOHK-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)nc2C1 ZINC001576217722 950770468 /nfs/dbraw/zinc/77/04/68/950770468.db2.gz OEPNLQCHAIIPDV-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)nc2C1 ZINC001576217722 950770487 /nfs/dbraw/zinc/77/04/87/950770487.db2.gz OEPNLQCHAIIPDV-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM CC(C)(C)c1ccc(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c(=O)[nH]1 ZINC001573882226 950777722 /nfs/dbraw/zinc/77/77/22/950777722.db2.gz XYQHSLXRDYJGQF-UHFFFAOYSA-N -1 1 386.420 0.356 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575929277 950784789 /nfs/dbraw/zinc/78/47/89/950784789.db2.gz BLAYNJCPCQMRRY-KOLCDFICSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575929277 950784810 /nfs/dbraw/zinc/78/48/10/950784810.db2.gz BLAYNJCPCQMRRY-KOLCDFICSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ccnc(-c4nn[n-]n4)n3)c2C1 ZINC001576218378 950785768 /nfs/dbraw/zinc/78/57/68/950785768.db2.gz RHTMXKKJJMWLRT-JTQLQIEISA-N -1 1 382.432 0.371 20 0 GCADMM C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765488 950787365 /nfs/dbraw/zinc/78/73/65/950787365.db2.gz CXRXBWFDBSFOQV-SSDOTTSWSA-N -1 1 379.837 0.761 20 0 GCADMM CC1(C)CC(CC(=O)N2CCO[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575632096 950787403 /nfs/dbraw/zinc/78/74/03/950787403.db2.gz ACGCSXXOJXUFOS-CYBMUJFWSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765489 950789188 /nfs/dbraw/zinc/78/91/88/950789188.db2.gz CXRXBWFDBSFOQV-ZETCQYMHSA-N -1 1 379.837 0.761 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)C1 ZINC001575632147 950792883 /nfs/dbraw/zinc/79/28/83/950792883.db2.gz BXPYLGURGYPDNO-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)C1 ZINC001575632147 950792902 /nfs/dbraw/zinc/79/29/02/950792902.db2.gz BXPYLGURGYPDNO-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)O1 ZINC001576218815 950793306 /nfs/dbraw/zinc/79/33/06/950793306.db2.gz MRIOAZQVLMCXBO-SGTLLEGYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)O1 ZINC001576218815 950793322 /nfs/dbraw/zinc/79/33/22/950793322.db2.gz MRIOAZQVLMCXBO-SGTLLEGYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576218806 950796231 /nfs/dbraw/zinc/79/62/31/950796231.db2.gz RQDNRZNNMFACSU-UWVGGRQHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576218806 950796260 /nfs/dbraw/zinc/79/62/60/950796260.db2.gz RQDNRZNNMFACSU-UWVGGRQHSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573884687 950799016 /nfs/dbraw/zinc/79/90/16/950799016.db2.gz IQERHVNDUWCCSW-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573884687 950799029 /nfs/dbraw/zinc/79/90/29/950799029.db2.gz IQERHVNDUWCCSW-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884692 950799056 /nfs/dbraw/zinc/79/90/56/950799056.db2.gz IVNWRKKMGGGXHP-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)s1 ZINC001573884674 950801088 /nfs/dbraw/zinc/80/10/88/950801088.db2.gz IMEYBEJGZRGURZ-UHFFFAOYSA-N -1 1 380.459 0.889 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575931473 950804977 /nfs/dbraw/zinc/80/49/77/950804977.db2.gz ICIHGWOXKANVFW-NEPJUHHUSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575931473 950804995 /nfs/dbraw/zinc/80/49/95/950804995.db2.gz ICIHGWOXKANVFW-NEPJUHHUSA-N -1 1 383.420 0.130 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001573884743 950806122 /nfs/dbraw/zinc/80/61/22/950806122.db2.gz OKVMPRCJOMTVEB-JTQLQIEISA-N -1 1 383.416 0.691 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576219239 950806762 /nfs/dbraw/zinc/80/67/62/950806762.db2.gz SXZNVNGZESBJNL-BONVTDFDSA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001573884744 950807326 /nfs/dbraw/zinc/80/73/26/950807326.db2.gz OKVMPRCJOMTVEB-SNVBAGLBSA-N -1 1 383.416 0.691 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001573885056 950809215 /nfs/dbraw/zinc/80/92/15/950809215.db2.gz NLJYESOXFMSJDY-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001573885056 950809231 /nfs/dbraw/zinc/80/92/31/950809231.db2.gz NLJYESOXFMSJDY-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575931571 950810196 /nfs/dbraw/zinc/81/01/96/950810196.db2.gz IREBHXAOFMATNU-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575931571 950810214 /nfs/dbraw/zinc/81/02/14/950810214.db2.gz IREBHXAOFMATNU-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576219785 950813902 /nfs/dbraw/zinc/81/39/02/950813902.db2.gz UQBFEFONJRQVRW-MEBBXXQBSA-N -1 1 382.432 0.616 20 0 GCADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574186690 950817607 /nfs/dbraw/zinc/81/76/07/950817607.db2.gz ILDYGHYAXHCVSZ-UONOGXRCSA-N -1 1 388.476 0.933 20 0 GCADMM CC(C)(C)c1nc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)co1 ZINC001573885090 950818042 /nfs/dbraw/zinc/81/80/42/950818042.db2.gz OCSYSCLAHQMAGB-UHFFFAOYSA-N -1 1 383.416 0.739 20 0 GCADMM C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766614 950819931 /nfs/dbraw/zinc/81/99/31/950819931.db2.gz JTIAMXOUGIXZNW-VIFPVBQESA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575932266 950820980 /nfs/dbraw/zinc/82/09/80/950820980.db2.gz LEMFPPLYTRPSHR-QWRGUYRKSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575932266 950820997 /nfs/dbraw/zinc/82/09/97/950820997.db2.gz LEMFPPLYTRPSHR-QWRGUYRKSA-N -1 1 380.416 0.515 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573885176 950822774 /nfs/dbraw/zinc/82/27/74/950822774.db2.gz VNFPRIIFOUXCFM-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573885176 950822793 /nfs/dbraw/zinc/82/27/93/950822793.db2.gz VNFPRIIFOUXCFM-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766804 950825246 /nfs/dbraw/zinc/82/52/46/950825246.db2.gz MKYDECRITPBAFA-JTQLQIEISA-N -1 1 382.432 0.253 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576220216 950826291 /nfs/dbraw/zinc/82/62/91/950826291.db2.gz WIUHLRLDNBBEHT-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576220216 950826315 /nfs/dbraw/zinc/82/63/15/950826315.db2.gz WIUHLRLDNBBEHT-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576220227 950828089 /nfs/dbraw/zinc/82/80/89/950828089.db2.gz WKJZXPRWGLALIG-ZJUUUORDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576220227 950828115 /nfs/dbraw/zinc/82/81/15/950828115.db2.gz WKJZXPRWGLALIG-ZJUUUORDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220285 950832247 /nfs/dbraw/zinc/83/22/47/950832247.db2.gz WXTGGLZYIGWYDS-ZJUUUORDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220285 950832270 /nfs/dbraw/zinc/83/22/70/950832270.db2.gz WXTGGLZYIGWYDS-ZJUUUORDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575932791 950832970 /nfs/dbraw/zinc/83/29/70/950832970.db2.gz MVGNXRQHOJBAGX-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575932791 950832991 /nfs/dbraw/zinc/83/29/91/950832991.db2.gz MVGNXRQHOJBAGX-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)co1 ZINC001573885970 950836955 /nfs/dbraw/zinc/83/69/55/950836955.db2.gz ZDXZIPAOCHRVRS-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)co1 ZINC001573885970 950836980 /nfs/dbraw/zinc/83/69/80/950836980.db2.gz ZDXZIPAOCHRVRS-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)co1 ZINC001573885968 950837286 /nfs/dbraw/zinc/83/72/86/950837286.db2.gz ZDXZIPAOCHRVRS-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)co1 ZINC001573885968 950837312 /nfs/dbraw/zinc/83/73/12/950837312.db2.gz ZDXZIPAOCHRVRS-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574767136 950837292 /nfs/dbraw/zinc/83/72/92/950837292.db2.gz MDSCMDNNJNWBBL-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574767136 950837317 /nfs/dbraw/zinc/83/73/17/950837317.db2.gz MDSCMDNNJNWBBL-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574767117 950837663 /nfs/dbraw/zinc/83/76/63/950837663.db2.gz MBDQAPTUHCSAHE-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574767117 950837684 /nfs/dbraw/zinc/83/76/84/950837684.db2.gz MBDQAPTUHCSAHE-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573887431 950841928 /nfs/dbraw/zinc/84/19/28/950841928.db2.gz AQVLNIMXAFSNPE-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573887431 950841949 /nfs/dbraw/zinc/84/19/49/950841949.db2.gz AQVLNIMXAFSNPE-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767296 950847378 /nfs/dbraw/zinc/84/73/78/950847378.db2.gz PNTAEVYZQNJIOX-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767296 950847405 /nfs/dbraw/zinc/84/74/05/950847405.db2.gz PNTAEVYZQNJIOX-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ncccn1 ZINC001575934227 950851226 /nfs/dbraw/zinc/85/12/26/950851226.db2.gz QTGBPFKXTHYZMF-NWDGAFQWSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576221345 950851029 /nfs/dbraw/zinc/85/10/29/950851029.db2.gz ZZBREWOOLZXGRK-ZUZCIYMTSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576221345 950851047 /nfs/dbraw/zinc/85/10/47/950851047.db2.gz ZZBREWOOLZXGRK-ZUZCIYMTSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ncccn1 ZINC001575934227 950851263 /nfs/dbraw/zinc/85/12/63/950851263.db2.gz QTGBPFKXTHYZMF-NWDGAFQWSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576221343 950851507 /nfs/dbraw/zinc/85/15/07/950851507.db2.gz ZZBREWOOLZXGRK-BONVTDFDSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576221343 950851522 /nfs/dbraw/zinc/85/15/22/950851522.db2.gz ZZBREWOOLZXGRK-BONVTDFDSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575933846 950851867 /nfs/dbraw/zinc/85/18/67/950851867.db2.gz PYVPKDZRWODQQI-BDAKNGLRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575933846 950851885 /nfs/dbraw/zinc/85/18/85/950851885.db2.gz PYVPKDZRWODQQI-BDAKNGLRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767453 950853376 /nfs/dbraw/zinc/85/33/76/950853376.db2.gz OPPDDTQWHYTTAE-SSDOTTSWSA-N -1 1 379.331 0.577 20 0 GCADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575934492 950863299 /nfs/dbraw/zinc/86/32/99/950863299.db2.gz RZDBUQIMKRMAIR-WDSKDSINSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575934492 950863313 /nfs/dbraw/zinc/86/33/13/950863313.db2.gz RZDBUQIMKRMAIR-WDSKDSINSA-N -1 1 380.825 0.810 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001573888466 950870036 /nfs/dbraw/zinc/87/00/36/950870036.db2.gz UTDIWRDXLBXQGF-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001573888466 950870047 /nfs/dbraw/zinc/87/00/47/950870047.db2.gz UTDIWRDXLBXQGF-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001576222415 950871734 /nfs/dbraw/zinc/87/17/34/950871734.db2.gz YXFQKZARAZBWGU-NKWVEPMBSA-N -1 1 384.853 0.358 20 0 GCADMM C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576222415 950871750 /nfs/dbraw/zinc/87/17/50/950871750.db2.gz YXFQKZARAZBWGU-NKWVEPMBSA-N -1 1 384.853 0.358 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575639871 950882313 /nfs/dbraw/zinc/88/23/13/950882313.db2.gz CDNKCBSTJDAFDM-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575639871 950882330 /nfs/dbraw/zinc/88/23/30/950882330.db2.gz CDNKCBSTJDAFDM-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574768353 950890535 /nfs/dbraw/zinc/89/05/35/950890535.db2.gz URBYFBNJDYFPHN-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574768353 950890561 /nfs/dbraw/zinc/89/05/61/950890561.db2.gz URBYFBNJDYFPHN-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574769067 950908596 /nfs/dbraw/zinc/90/85/96/950908596.db2.gz ZEDLMPYQIMCMHR-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574769067 950908610 /nfs/dbraw/zinc/90/86/10/950908610.db2.gz ZEDLMPYQIMCMHR-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nn2)nn1 ZINC001573893905 950910365 /nfs/dbraw/zinc/91/03/65/950910365.db2.gz BKEUKMQKUGMOMD-SNAWJCMRSA-N -1 1 383.420 0.401 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nn2)nn1 ZINC001573893905 950910380 /nfs/dbraw/zinc/91/03/80/950910380.db2.gz BKEUKMQKUGMOMD-SNAWJCMRSA-N -1 1 383.420 0.401 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575936234 950912770 /nfs/dbraw/zinc/91/27/70/950912770.db2.gz DGAGUXYRAAQZSL-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575936234 950912788 /nfs/dbraw/zinc/91/27/88/950912788.db2.gz DGAGUXYRAAQZSL-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573894018 950919612 /nfs/dbraw/zinc/91/96/12/950919612.db2.gz IYFYTICSFQXSTB-LBPRGKRZSA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCCC1=O ZINC001575936802 950926121 /nfs/dbraw/zinc/92/61/21/950926121.db2.gz IMCRIEDHFUGQNZ-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCCC1=O ZINC001575936802 950926140 /nfs/dbraw/zinc/92/61/40/950926140.db2.gz IMCRIEDHFUGQNZ-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001573894435 950927741 /nfs/dbraw/zinc/92/77/41/950927741.db2.gz RRIHKEWSOIIULI-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001573894435 950927757 /nfs/dbraw/zinc/92/77/57/950927757.db2.gz RRIHKEWSOIIULI-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1cccnc1 ZINC001575936845 950932015 /nfs/dbraw/zinc/93/20/15/950932015.db2.gz IXQQAFPXWARXPP-AAEUAGOBSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1cccnc1 ZINC001575936845 950932034 /nfs/dbraw/zinc/93/20/34/950932034.db2.gz IXQQAFPXWARXPP-AAEUAGOBSA-N -1 1 381.400 0.532 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642036 950933092 /nfs/dbraw/zinc/93/30/92/950933092.db2.gz SXYNFOQGSQZODE-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642036 950933109 /nfs/dbraw/zinc/93/31/09/950933109.db2.gz SXYNFOQGSQZODE-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573894685 950933942 /nfs/dbraw/zinc/93/39/42/950933942.db2.gz YDXIJIXTRHBXBV-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573894685 950933953 /nfs/dbraw/zinc/93/39/53/950933953.db2.gz YDXIJIXTRHBXBV-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573894680 950934660 /nfs/dbraw/zinc/93/46/60/950934660.db2.gz XPMIEEXENGHYNY-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573896087 950941833 /nfs/dbraw/zinc/94/18/33/950941833.db2.gz FXLVPKFOCOMGKK-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573896087 950941850 /nfs/dbraw/zinc/94/18/50/950941850.db2.gz FXLVPKFOCOMGKK-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC1(C)C[C@]1(CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001575643079 950954555 /nfs/dbraw/zinc/95/45/55/950954555.db2.gz XMLUPQRYPVCCNJ-IBGZPJMESA-N -1 1 395.423 0.613 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001576228765 950954875 /nfs/dbraw/zinc/95/48/75/950954875.db2.gz KWJSDDXSVAWCGE-SGTLLEGYSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001576228765 950954885 /nfs/dbraw/zinc/95/48/85/950954885.db2.gz KWJSDDXSVAWCGE-SGTLLEGYSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1CC1 ZINC001573897258 950955712 /nfs/dbraw/zinc/95/57/12/950955712.db2.gz NUEKMQBLVPVHOG-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1CC1 ZINC001573897258 950955744 /nfs/dbraw/zinc/95/57/44/950955744.db2.gz NUEKMQBLVPVHOG-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2ccn[nH]2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643114 950959717 /nfs/dbraw/zinc/95/97/17/950959717.db2.gz YBJFTFPUBPYLHZ-LLVKDONJSA-N -1 1 382.432 0.805 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573897442 950960466 /nfs/dbraw/zinc/96/04/66/950960466.db2.gz PGOSRXRPPOKSLI-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573897442 950960471 /nfs/dbraw/zinc/96/04/71/950960471.db2.gz PGOSRXRPPOKSLI-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C1CC1 ZINC001573897436 950960498 /nfs/dbraw/zinc/96/04/98/950960498.db2.gz PCLBURYAJCUAOW-OLZOCXBDSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573897273 950960771 /nfs/dbraw/zinc/96/07/71/950960771.db2.gz ODIUTMFAZLEADY-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573897273 950960791 /nfs/dbraw/zinc/96/07/91/950960791.db2.gz ODIUTMFAZLEADY-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573897272 950961355 /nfs/dbraw/zinc/96/13/55/950961355.db2.gz ODIUTMFAZLEADY-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573897272 950961373 /nfs/dbraw/zinc/96/13/73/950961373.db2.gz ODIUTMFAZLEADY-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(F)F ZINC001573897483 950962990 /nfs/dbraw/zinc/96/29/90/950962990.db2.gz QSZWFOMSTZIDMF-SECBINFHSA-N -1 1 384.391 0.039 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643868 950980654 /nfs/dbraw/zinc/98/06/54/950980654.db2.gz PQVOJGQCELDMFV-STQMWFEESA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643868 950980671 /nfs/dbraw/zinc/98/06/71/950980671.db2.gz PQVOJGQCELDMFV-STQMWFEESA-N -1 1 386.460 0.493 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573899538 950980736 /nfs/dbraw/zinc/98/07/36/950980736.db2.gz CNZAGNPQLQHPRF-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573899538 950980755 /nfs/dbraw/zinc/98/07/55/950980755.db2.gz CNZAGNPQLQHPRF-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576229646 950980963 /nfs/dbraw/zinc/98/09/63/950980963.db2.gz NOJVZWFZFYCWAC-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576229646 950980980 /nfs/dbraw/zinc/98/09/80/950980980.db2.gz NOJVZWFZFYCWAC-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001575938479 950982316 /nfs/dbraw/zinc/98/23/16/950982316.db2.gz NYXARVCCPORSNN-MWLCHTKSSA-N -1 1 391.399 0.643 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001575938479 950982331 /nfs/dbraw/zinc/98/23/31/950982331.db2.gz NYXARVCCPORSNN-MWLCHTKSSA-N -1 1 391.399 0.643 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573899799 950990476 /nfs/dbraw/zinc/99/04/76/950990476.db2.gz KIASQXWAKPERDN-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573899799 950990488 /nfs/dbraw/zinc/99/04/88/950990488.db2.gz KIASQXWAKPERDN-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575017337 950990613 /nfs/dbraw/zinc/99/06/13/950990613.db2.gz DLKRKLUWAQGVHS-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575017337 950990629 /nfs/dbraw/zinc/99/06/29/950990629.db2.gz DLKRKLUWAQGVHS-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC(N(CCO)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575644754 950992862 /nfs/dbraw/zinc/99/28/62/950992862.db2.gz WUXXOWBVTUWWFY-ZDUSSCGKSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC(N(CCO)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575644754 950992877 /nfs/dbraw/zinc/99/28/77/950992877.db2.gz WUXXOWBVTUWWFY-ZDUSSCGKSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575939028 951002061 /nfs/dbraw/zinc/00/20/61/951002061.db2.gz POBJOVDMFMKAGV-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575939028 951002085 /nfs/dbraw/zinc/00/20/85/951002085.db2.gz POBJOVDMFMKAGV-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573900347 951002137 /nfs/dbraw/zinc/00/21/37/951002137.db2.gz XDUBETYLTRIIIU-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573900347 951002156 /nfs/dbraw/zinc/00/21/56/951002156.db2.gz XDUBETYLTRIIIU-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575019284 951032928 /nfs/dbraw/zinc/03/29/28/951032928.db2.gz SGSWXZRUEPQREO-VIFPVBQESA-N -1 1 389.370 0.889 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575023578 951078811 /nfs/dbraw/zinc/07/88/11/951078811.db2.gz OEDXVFULSKOGCK-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575023578 951078819 /nfs/dbraw/zinc/07/88/19/951078819.db2.gz OEDXVFULSKOGCK-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024420 951102784 /nfs/dbraw/zinc/10/27/84/951102784.db2.gz DGVQLSOYGCRBLO-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024420 951102791 /nfs/dbraw/zinc/10/27/91/951102791.db2.gz DGVQLSOYGCRBLO-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024921 951119922 /nfs/dbraw/zinc/11/99/22/951119922.db2.gz PTTOHBOWNMVQOG-JTQLQIEISA-N -1 1 382.384 0.080 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025108 951125912 /nfs/dbraw/zinc/12/59/12/951125912.db2.gz VBJYYCFTRJGOQE-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025108 951125921 /nfs/dbraw/zinc/12/59/21/951125921.db2.gz VBJYYCFTRJGOQE-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2nccn2c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575026404 951143127 /nfs/dbraw/zinc/14/31/27/951143127.db2.gz JAKBGPZYFUUYHM-LLVKDONJSA-N -1 1 378.400 0.204 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575027050 951151850 /nfs/dbraw/zinc/15/18/50/951151850.db2.gz CRTYKFROGJKCRF-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575027050 951151857 /nfs/dbraw/zinc/15/18/57/951151857.db2.gz CRTYKFROGJKCRF-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027917 951162493 /nfs/dbraw/zinc/16/24/93/951162493.db2.gz IUHUPXORWFLVMM-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575028177 951170428 /nfs/dbraw/zinc/17/04/28/951170428.db2.gz LWWRAKLSEBWEES-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575028177 951170434 /nfs/dbraw/zinc/17/04/34/951170434.db2.gz LWWRAKLSEBWEES-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575029013 951181917 /nfs/dbraw/zinc/18/19/17/951181917.db2.gz RFXMLJQREGCCTI-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575029013 951181925 /nfs/dbraw/zinc/18/19/25/951181925.db2.gz RFXMLJQREGCCTI-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2nccnc2c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575029096 951185121 /nfs/dbraw/zinc/18/51/21/951185121.db2.gz ZHGFDBDSQFHVMP-NSHDSACASA-N -1 1 390.411 0.500 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575031457 951193431 /nfs/dbraw/zinc/19/34/31/951193431.db2.gz AJLQWQAEUIIOAW-NSHDSACASA-N -1 1 379.428 0.829 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575031668 951201533 /nfs/dbraw/zinc/20/15/33/951201533.db2.gz GLUZHIBHFWYDRJ-SECBINFHSA-N -1 1 389.370 0.889 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575031796 951203448 /nfs/dbraw/zinc/20/34/48/951203448.db2.gz JCNICOROGFPFHE-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575031796 951203457 /nfs/dbraw/zinc/20/34/57/951203457.db2.gz JCNICOROGFPFHE-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccn2ccnc12)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575031748 951204447 /nfs/dbraw/zinc/20/44/47/951204447.db2.gz IAUKSCDRNZMFIA-LLVKDONJSA-N -1 1 378.400 0.782 20 0 GCADMM C[C@@H](CNC(=O)c1cccn2ccnc12)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575031748 951204457 /nfs/dbraw/zinc/20/44/57/951204457.db2.gz IAUKSCDRNZMFIA-LLVKDONJSA-N -1 1 378.400 0.782 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575032193 951219396 /nfs/dbraw/zinc/21/93/96/951219396.db2.gz SZDZQVTXIRRDKU-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575032193 951219408 /nfs/dbraw/zinc/21/94/08/951219408.db2.gz SZDZQVTXIRRDKU-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575033972 951235574 /nfs/dbraw/zinc/23/55/74/951235574.db2.gz FSTWAUYLEWQYQZ-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575034327 951245407 /nfs/dbraw/zinc/24/54/07/951245407.db2.gz AOFGULCYMCHHPQ-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575034327 951245420 /nfs/dbraw/zinc/24/54/20/951245420.db2.gz AOFGULCYMCHHPQ-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575034387 951246710 /nfs/dbraw/zinc/24/67/10/951246710.db2.gz MYEXUDLWTDODQF-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575034387 951246716 /nfs/dbraw/zinc/24/67/16/951246716.db2.gz MYEXUDLWTDODQF-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575034439 951247271 /nfs/dbraw/zinc/24/72/71/951247271.db2.gz NCTWJFYFGXUPRW-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575034506 951250274 /nfs/dbraw/zinc/25/02/74/951250274.db2.gz BZYYZEBFRFZJSY-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575034506 951250287 /nfs/dbraw/zinc/25/02/87/951250287.db2.gz BZYYZEBFRFZJSY-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575034699 951252793 /nfs/dbraw/zinc/25/27/93/951252793.db2.gz CBFQGVYVNZPQRI-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575035764 951283309 /nfs/dbraw/zinc/28/33/09/951283309.db2.gz LBYRLBARJLHUFS-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575035764 951283324 /nfs/dbraw/zinc/28/33/24/951283324.db2.gz LBYRLBARJLHUFS-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575035765 951283418 /nfs/dbraw/zinc/28/34/18/951283418.db2.gz LBYRLBARJLHUFS-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575035765 951283430 /nfs/dbraw/zinc/28/34/30/951283430.db2.gz LBYRLBARJLHUFS-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575036475 951293871 /nfs/dbraw/zinc/29/38/71/951293871.db2.gz SONVWZZQBHMFJE-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575036475 951293883 /nfs/dbraw/zinc/29/38/83/951293883.db2.gz SONVWZZQBHMFJE-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575036506 951294357 /nfs/dbraw/zinc/29/43/57/951294357.db2.gz TYHIZGNXOFJIDM-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575036506 951294370 /nfs/dbraw/zinc/29/43/70/951294370.db2.gz TYHIZGNXOFJIDM-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(-n2cccn2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575036446 951295666 /nfs/dbraw/zinc/29/56/66/951295666.db2.gz SBARYQCLYPIHCF-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(-n2cccn2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575036446 951295682 /nfs/dbraw/zinc/29/56/82/951295682.db2.gz SBARYQCLYPIHCF-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575036922 951303383 /nfs/dbraw/zinc/30/33/83/951303383.db2.gz YRIOBIGNYFNEPC-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575036922 951303392 /nfs/dbraw/zinc/30/33/92/951303392.db2.gz YRIOBIGNYFNEPC-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575037022 951303510 /nfs/dbraw/zinc/30/35/10/951303510.db2.gz ZTGQIWOEVUKZEW-SECBINFHSA-N -1 1 392.374 0.018 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575038517 951320999 /nfs/dbraw/zinc/32/09/99/951320999.db2.gz JSHMGWKYOJMSED-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575038517 951321017 /nfs/dbraw/zinc/32/10/17/951321017.db2.gz JSHMGWKYOJMSED-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575040616 951344571 /nfs/dbraw/zinc/34/45/71/951344571.db2.gz ZRCZUSKHKXZXID-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575040616 951344585 /nfs/dbraw/zinc/34/45/85/951344585.db2.gz ZRCZUSKHKXZXID-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575041769 951349200 /nfs/dbraw/zinc/34/92/00/951349200.db2.gz BSUYTJCVENETRL-SNVBAGLBSA-N -1 1 383.420 0.451 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575041769 951349215 /nfs/dbraw/zinc/34/92/15/951349215.db2.gz BSUYTJCVENETRL-SNVBAGLBSA-N -1 1 383.420 0.451 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575041945 951353607 /nfs/dbraw/zinc/35/36/07/951353607.db2.gz DNHSJAXMGRINIR-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575041945 951353618 /nfs/dbraw/zinc/35/36/18/951353618.db2.gz DNHSJAXMGRINIR-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042194 951359675 /nfs/dbraw/zinc/35/96/75/951359675.db2.gz HBHOYBZXYQWYBR-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042194 951359692 /nfs/dbraw/zinc/35/96/92/951359692.db2.gz HBHOYBZXYQWYBR-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575042683 951369539 /nfs/dbraw/zinc/36/95/39/951369539.db2.gz MISQTIKIPVSKNN-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575042683 951369551 /nfs/dbraw/zinc/36/95/51/951369551.db2.gz MISQTIKIPVSKNN-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575042932 951376030 /nfs/dbraw/zinc/37/60/30/951376030.db2.gz DIQFAVHVJFOKQH-SNVBAGLBSA-N -1 1 380.416 0.224 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575043292 951385971 /nfs/dbraw/zinc/38/59/71/951385971.db2.gz PTVMFYQOJSWNBR-JTQLQIEISA-N -1 1 383.420 0.451 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575043292 951385989 /nfs/dbraw/zinc/38/59/89/951385989.db2.gz PTVMFYQOJSWNBR-JTQLQIEISA-N -1 1 383.420 0.451 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043443 951393356 /nfs/dbraw/zinc/39/33/56/951393356.db2.gz JHICKJFUMQMVPY-SKDRFNHKSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043671 951399493 /nfs/dbraw/zinc/39/94/93/951399493.db2.gz LRSQTRKCBTZISN-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043671 951399501 /nfs/dbraw/zinc/39/95/01/951399501.db2.gz LRSQTRKCBTZISN-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575043817 951402920 /nfs/dbraw/zinc/40/29/20/951402920.db2.gz VTPDOSWOPLZKJO-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575043817 951402928 /nfs/dbraw/zinc/40/29/28/951402928.db2.gz VTPDOSWOPLZKJO-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575043886 951404901 /nfs/dbraw/zinc/40/49/01/951404901.db2.gz WIEWTFOEBUAEGY-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575043886 951404913 /nfs/dbraw/zinc/40/49/13/951404913.db2.gz WIEWTFOEBUAEGY-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044208 951410788 /nfs/dbraw/zinc/41/07/88/951410788.db2.gz PTMOBSREIGRLKH-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044208 951410800 /nfs/dbraw/zinc/41/08/00/951410800.db2.gz PTMOBSREIGRLKH-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044289 951412659 /nfs/dbraw/zinc/41/26/59/951412659.db2.gz YRNJTKXMFYNXHB-SNVBAGLBSA-N -1 1 383.420 0.451 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044289 951412670 /nfs/dbraw/zinc/41/26/70/951412670.db2.gz YRNJTKXMFYNXHB-SNVBAGLBSA-N -1 1 383.420 0.451 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575044361 951412810 /nfs/dbraw/zinc/41/28/10/951412810.db2.gz RKHNDFJPRQEUDT-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575044361 951412826 /nfs/dbraw/zinc/41/28/26/951412826.db2.gz RKHNDFJPRQEUDT-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575046692 951445779 /nfs/dbraw/zinc/44/57/79/951445779.db2.gz RCDYWEPSZMVSHL-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575046692 951445791 /nfs/dbraw/zinc/44/57/91/951445791.db2.gz RCDYWEPSZMVSHL-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575046972 951449689 /nfs/dbraw/zinc/44/96/89/951449689.db2.gz WIQLJLOPWMHAHL-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575051966 951456016 /nfs/dbraw/zinc/45/60/16/951456016.db2.gz CHRIIOCHLWXIMR-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575051966 951456024 /nfs/dbraw/zinc/45/60/24/951456024.db2.gz CHRIIOCHLWXIMR-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575051969 951456389 /nfs/dbraw/zinc/45/63/89/951456389.db2.gz CHWSXIZIHYGMFS-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575051969 951456402 /nfs/dbraw/zinc/45/64/02/951456402.db2.gz CHWSXIZIHYGMFS-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575051957 951457496 /nfs/dbraw/zinc/45/74/96/951457496.db2.gz BUMHARXAWBXLNO-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575051957 951457505 /nfs/dbraw/zinc/45/75/05/951457505.db2.gz BUMHARXAWBXLNO-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575052095 951458946 /nfs/dbraw/zinc/45/89/46/951458946.db2.gz DAELLFLBAPZELK-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575052095 951458950 /nfs/dbraw/zinc/45/89/50/951458950.db2.gz DAELLFLBAPZELK-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575052209 951461872 /nfs/dbraw/zinc/46/18/72/951461872.db2.gz GBDMYMSYQAEMAV-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575052209 951461878 /nfs/dbraw/zinc/46/18/78/951461878.db2.gz GBDMYMSYQAEMAV-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575052499 951466021 /nfs/dbraw/zinc/46/60/21/951466021.db2.gz KILCWECBDVRCDL-LLVKDONJSA-N -1 1 382.432 0.518 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575052590 951469259 /nfs/dbraw/zinc/46/92/59/951469259.db2.gz MNZJXNYJLHOIEG-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575052590 951469264 /nfs/dbraw/zinc/46/92/64/951469264.db2.gz MNZJXNYJLHOIEG-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575052771 951472425 /nfs/dbraw/zinc/47/24/25/951472425.db2.gz NYRGNQPXEZHJLY-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575052771 951472433 /nfs/dbraw/zinc/47/24/33/951472433.db2.gz NYRGNQPXEZHJLY-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575052864 951472886 /nfs/dbraw/zinc/47/28/86/951472886.db2.gz PGSADAZWDQTAJH-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575052864 951472891 /nfs/dbraw/zinc/47/28/91/951472891.db2.gz PGSADAZWDQTAJH-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575054122 951486537 /nfs/dbraw/zinc/48/65/37/951486537.db2.gz VWGOFUJWYQQFGZ-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575054554 951493022 /nfs/dbraw/zinc/49/30/22/951493022.db2.gz YFEMFIQCAAEPNE-LLVKDONJSA-N -1 1 382.432 0.741 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575054554 951493030 /nfs/dbraw/zinc/49/30/30/951493030.db2.gz YFEMFIQCAAEPNE-LLVKDONJSA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575055400 951506050 /nfs/dbraw/zinc/50/60/50/951506050.db2.gz SIEVAKSVUPKIJR-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575055400 951506055 /nfs/dbraw/zinc/50/60/55/951506055.db2.gz SIEVAKSVUPKIJR-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575055504 951506946 /nfs/dbraw/zinc/50/69/46/951506946.db2.gz VXPNRYPSQBHYTI-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575055504 951506955 /nfs/dbraw/zinc/50/69/55/951506955.db2.gz VXPNRYPSQBHYTI-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575055503 951508348 /nfs/dbraw/zinc/50/83/48/951508348.db2.gz VXPNRYPSQBHYTI-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575055503 951508355 /nfs/dbraw/zinc/50/83/55/951508355.db2.gz VXPNRYPSQBHYTI-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575057333 951528097 /nfs/dbraw/zinc/52/80/97/951528097.db2.gz OCHCGUIJTMNFNT-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575057333 951528105 /nfs/dbraw/zinc/52/81/05/951528105.db2.gz OCHCGUIJTMNFNT-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1coc(=O)c2ccccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575057903 951532587 /nfs/dbraw/zinc/53/25/87/951532587.db2.gz SJYSNMVYKFMHPB-SNVBAGLBSA-N -1 1 392.379 0.994 20 0 GCADMM C[C@H](CNC(=O)c1coc(=O)c2ccccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575057903 951532596 /nfs/dbraw/zinc/53/25/96/951532596.db2.gz SJYSNMVYKFMHPB-SNVBAGLBSA-N -1 1 392.379 0.994 20 0 GCADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575060804 951550663 /nfs/dbraw/zinc/55/06/63/951550663.db2.gz GUTQOKCJLHZSQX-SSDOTTSWSA-N -1 1 379.837 0.667 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575060967 951553632 /nfs/dbraw/zinc/55/36/32/951553632.db2.gz KKCGGDJOYSHLQS-SNVBAGLBSA-N -1 1 382.432 0.737 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575060967 951553640 /nfs/dbraw/zinc/55/36/40/951553640.db2.gz KKCGGDJOYSHLQS-SNVBAGLBSA-N -1 1 382.432 0.737 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575061323 951557695 /nfs/dbraw/zinc/55/76/95/951557695.db2.gz MXBVCRSWLVLPKS-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575061323 951557704 /nfs/dbraw/zinc/55/77/04/951557704.db2.gz MXBVCRSWLVLPKS-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575062786 951570162 /nfs/dbraw/zinc/57/01/62/951570162.db2.gz YHWKRCNUSSYRRO-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575062786 951570170 /nfs/dbraw/zinc/57/01/70/951570170.db2.gz YHWKRCNUSSYRRO-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)N=c1cc[nH]c(-c2nn[n-]n2)n1 ZINC001575064757 951575584 /nfs/dbraw/zinc/57/55/84/951575584.db2.gz CVXLPQFTXUVJIE-ZJUUUORDSA-N -1 1 385.388 0.149 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575065754 951586244 /nfs/dbraw/zinc/58/62/44/951586244.db2.gz IGZMHDFGGCUWCQ-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575065754 951586253 /nfs/dbraw/zinc/58/62/53/951586253.db2.gz IGZMHDFGGCUWCQ-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065900 951589293 /nfs/dbraw/zinc/58/92/93/951589293.db2.gz CMGBAGYGFZXYHP-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065900 951589303 /nfs/dbraw/zinc/58/93/03/951589303.db2.gz CMGBAGYGFZXYHP-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065897 951589507 /nfs/dbraw/zinc/58/95/07/951589507.db2.gz CMGBAGYGFZXYHP-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065897 951589514 /nfs/dbraw/zinc/58/95/14/951589514.db2.gz CMGBAGYGFZXYHP-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575066334 951594167 /nfs/dbraw/zinc/59/41/67/951594167.db2.gz KBHARFBTPZXVFH-SNVBAGLBSA-N -1 1 384.400 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575066334 951594169 /nfs/dbraw/zinc/59/41/69/951594169.db2.gz KBHARFBTPZXVFH-SNVBAGLBSA-N -1 1 384.400 0.800 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575067254 951606571 /nfs/dbraw/zinc/60/65/71/951606571.db2.gz PONNNCXOAYQTLG-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575067254 951606577 /nfs/dbraw/zinc/60/65/77/951606577.db2.gz PONNNCXOAYQTLG-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM O=C([O-])CN1CCC(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)CC1 ZINC001595074103 951625554 /nfs/dbraw/zinc/62/55/54/951625554.db2.gz KHGYBBQIVJOBEB-UHFFFAOYSA-N -1 1 394.902 0.982 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575067995 951627082 /nfs/dbraw/zinc/62/70/82/951627082.db2.gz USLMPDCCHJPTGY-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575067995 951627090 /nfs/dbraw/zinc/62/70/90/951627090.db2.gz USLMPDCCHJPTGY-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067938 951627993 /nfs/dbraw/zinc/62/79/93/951627993.db2.gz SOONAPRTHVIYII-JTQLQIEISA-N -1 1 385.432 0.842 20 0 GCADMM C[C@H](CNC(=O)c1nccc2cccnc21)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575068004 951628040 /nfs/dbraw/zinc/62/80/40/951628040.db2.gz UXOZIRXORIGQLB-LLVKDONJSA-N -1 1 390.411 0.855 20 0 GCADMM C[C@H](CNC(=O)c1nccc2cccnc21)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575068004 951628046 /nfs/dbraw/zinc/62/80/46/951628046.db2.gz UXOZIRXORIGQLB-LLVKDONJSA-N -1 1 390.411 0.855 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575071198 951657571 /nfs/dbraw/zinc/65/75/71/951657571.db2.gz YDRPNJMVRAHTLY-QMMMGPOBSA-N -1 1 386.445 0.286 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575071358 951658249 /nfs/dbraw/zinc/65/82/49/951658249.db2.gz ZYWXKFQWUPMSJD-QMMMGPOBSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575071358 951658254 /nfs/dbraw/zinc/65/82/54/951658254.db2.gz ZYWXKFQWUPMSJD-QMMMGPOBSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575071306 951658756 /nfs/dbraw/zinc/65/87/56/951658756.db2.gz ZKLPVBFYIDWJPD-QMMMGPOBSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575071306 951658759 /nfs/dbraw/zinc/65/87/59/951658759.db2.gz ZKLPVBFYIDWJPD-QMMMGPOBSA-N -1 1 386.445 0.864 20 0 GCADMM O=C([O-])CN1CCC[C@@H](C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)C1=O ZINC001595082958 951704085 /nfs/dbraw/zinc/70/40/85/951704085.db2.gz IGTPWBBDTRSEEI-JKSUJKDBSA-N -1 1 377.416 0.492 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)C1=O ZINC001595091292 951776849 /nfs/dbraw/zinc/77/68/49/951776849.db2.gz PCONAEVADRBPDA-RDBSUJKOSA-N -1 1 384.502 0.331 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)c2occc2Br)C1=O ZINC001595095992 951813832 /nfs/dbraw/zinc/81/38/32/951813832.db2.gz CHZIFGJUSKYWTQ-SECBINFHSA-N -1 1 395.231 0.786 20 0 GCADMM O=C([O-])CNC(=O)CN1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001595097481 951833186 /nfs/dbraw/zinc/83/31/86/951833186.db2.gz MMTYHOSXPLOQKS-GFCCVEGCSA-N -1 1 379.379 0.700 20 0 GCADMM CC(C)(C)OC(=O)N1CCN([C@@H]2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)CC1 ZINC001602888854 971789576 /nfs/dbraw/zinc/78/95/76/971789576.db2.gz MQIDSNJFAINPTF-HUUCEWRRSA-N -1 1 396.488 0.299 20 0 GCADMM O=C([O-])CS(=O)(=O)CCN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001595124625 952001320 /nfs/dbraw/zinc/00/13/20/952001320.db2.gz AFALODJEIVLNGN-LLVKDONJSA-N -1 1 394.371 0.596 20 0 GCADMM O=C([O-])CS(=O)(=O)CCN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC001595124627 952001599 /nfs/dbraw/zinc/00/15/99/952001599.db2.gz AFALODJEIVLNGN-NSHDSACASA-N -1 1 394.371 0.596 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575127924 952062662 /nfs/dbraw/zinc/06/26/62/952062662.db2.gz DIFJLODNECLWKP-JKSUJKDBSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575127924 952062673 /nfs/dbraw/zinc/06/26/73/952062673.db2.gz DIFJLODNECLWKP-JKSUJKDBSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575128792 952070004 /nfs/dbraw/zinc/07/00/04/952070004.db2.gz MEUQXNVLPMBWDM-KRWDZBQOSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575128792 952070013 /nfs/dbraw/zinc/07/00/13/952070013.db2.gz MEUQXNVLPMBWDM-KRWDZBQOSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575129080 952076615 /nfs/dbraw/zinc/07/66/15/952076615.db2.gz QMFXLAPSPQEQKN-KRWDZBQOSA-N -1 1 382.432 0.709 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575129080 952076620 /nfs/dbraw/zinc/07/66/20/952076620.db2.gz QMFXLAPSPQEQKN-KRWDZBQOSA-N -1 1 382.432 0.709 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)COCC(F)F)C1CC1 ZINC001575129582 952082353 /nfs/dbraw/zinc/08/23/53/952082353.db2.gz WEVGDZWAPLRLET-HNNXBMFYSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)COCC(F)F)C1CC1 ZINC001575129582 952082364 /nfs/dbraw/zinc/08/23/64/952082364.db2.gz WEVGDZWAPLRLET-HNNXBMFYSA-N -1 1 382.375 0.635 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NCCN2CC=CCC2)C1 ZINC001602891627 971801677 /nfs/dbraw/zinc/80/16/77/971801677.db2.gz BAGPJGSGIKUJRN-SFHVURJKSA-N -1 1 383.445 0.455 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575133371 952104348 /nfs/dbraw/zinc/10/43/48/952104348.db2.gz KJVVKIZKVBLVLN-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1snnc1C1CC1 ZINC001575133673 952106266 /nfs/dbraw/zinc/10/62/66/952106266.db2.gz FVXFFGWUEAXEBE-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1snnc1C1CC1 ZINC001575133673 952106269 /nfs/dbraw/zinc/10/62/69/952106269.db2.gz FVXFFGWUEAXEBE-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575134124 952108599 /nfs/dbraw/zinc/10/85/99/952108599.db2.gz MITAWMXKYBSREJ-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575134127 952108664 /nfs/dbraw/zinc/10/86/64/952108664.db2.gz MITAWMXKYBSREJ-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575134709 952112974 /nfs/dbraw/zinc/11/29/74/952112974.db2.gz OLJPWPXBRWYFEM-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1nnc2ccccc2n1 ZINC001575135732 952119607 /nfs/dbraw/zinc/11/96/07/952119607.db2.gz NEUQKKWEBHXISD-SNVBAGLBSA-N -1 1 391.399 0.568 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1nnc2ccccc2n1 ZINC001575135732 952119613 /nfs/dbraw/zinc/11/96/13/952119613.db2.gz NEUQKKWEBHXISD-SNVBAGLBSA-N -1 1 391.399 0.568 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575136353 952124855 /nfs/dbraw/zinc/12/48/55/952124855.db2.gz OQLZPUOPGIALAF-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575136353 952124857 /nfs/dbraw/zinc/12/48/57/952124857.db2.gz OQLZPUOPGIALAF-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575136825 952129210 /nfs/dbraw/zinc/12/92/10/952129210.db2.gz PXSTVWWSCJYOGU-LJMKFJKQSA-N -1 1 386.460 0.327 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575141321 952144113 /nfs/dbraw/zinc/14/41/13/952144113.db2.gz GIWZZVRUTZJLNF-SMDDNHRTSA-N -1 1 380.412 0.341 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575142207 952146837 /nfs/dbraw/zinc/14/68/37/952146837.db2.gz KGUQXHWRMCJTED-GXTWGEPZSA-N -1 1 384.419 0.918 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575142809 952149270 /nfs/dbraw/zinc/14/92/70/952149270.db2.gz MCKJLRNVYFMWEN-WCQYABFASA-N -1 1 379.428 0.147 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575142808 952149288 /nfs/dbraw/zinc/14/92/88/952149288.db2.gz MCKJLRNVYFMWEN-DGCLKSJQSA-N -1 1 379.428 0.147 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575143369 952151513 /nfs/dbraw/zinc/15/15/13/952151513.db2.gz PCKCJRDLHRXFIC-QGZVFWFLSA-N -1 1 383.391 0.623 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575143597 952154352 /nfs/dbraw/zinc/15/43/52/952154352.db2.gz BKUMLOGCKMFDRZ-NSHDSACASA-N -1 1 382.432 0.184 20 0 GCADMM O=C([O-])Cn1cccc(C(=O)N2CCC(CCN3CCOCC3)CC2)c1=O ZINC001595154377 952156350 /nfs/dbraw/zinc/15/63/50/952156350.db2.gz LCCPEIUJNOOHNH-UHFFFAOYSA-N -1 1 377.441 0.507 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575143850 952157694 /nfs/dbraw/zinc/15/76/94/952157694.db2.gz CYQFNRWHQXDYKY-QMMMGPOBSA-N -1 1 392.374 0.322 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575143948 952159454 /nfs/dbraw/zinc/15/94/54/952159454.db2.gz DYDUWVIBPKGGGI-VIFPVBQESA-N -1 1 385.457 0.985 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575143883 952159646 /nfs/dbraw/zinc/15/96/46/952159646.db2.gz DIXXYIWISRKLGG-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575143918 952159946 /nfs/dbraw/zinc/15/99/46/952159946.db2.gz DQDUMNWGWPXQIF-NSHDSACASA-N -1 1 381.444 0.858 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575144005 952160782 /nfs/dbraw/zinc/16/07/82/952160782.db2.gz FHDVTDCRCRACEU-SECBINFHSA-N -1 1 385.457 0.985 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575144041 952161068 /nfs/dbraw/zinc/16/10/68/952161068.db2.gz FSVMCSNVVJDLLF-JTQLQIEISA-N -1 1 383.416 0.907 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575143994 952161674 /nfs/dbraw/zinc/16/16/74/952161674.db2.gz FFCRNLGHPKLELP-JTQLQIEISA-N -1 1 380.416 0.319 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575144199 952163273 /nfs/dbraw/zinc/16/32/73/952163273.db2.gz GYNYTXHTKQYJQV-LBPRGKRZSA-N -1 1 381.444 0.789 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575144319 952163808 /nfs/dbraw/zinc/16/38/08/952163808.db2.gz UZDLRXUVDYHXDT-LBPRGKRZSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575144391 952166372 /nfs/dbraw/zinc/16/63/72/952166372.db2.gz IEDPIQZEWRMGBZ-ZETCQYMHSA-N -1 1 379.331 0.577 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575144448 952166651 /nfs/dbraw/zinc/16/66/51/952166651.db2.gz VSESBXJKEZSNTF-QWRGUYRKSA-N -1 1 382.432 0.181 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC001575144762 952170542 /nfs/dbraw/zinc/17/05/42/952170542.db2.gz XWCWZBYIQLCQNY-WTANOLMUSA-N -1 1 398.471 0.591 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575144705 952171095 /nfs/dbraw/zinc/17/10/95/952171095.db2.gz XLWFCUOBGLQIHE-ZDUSSCGKSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575144831 952172086 /nfs/dbraw/zinc/17/20/86/952172086.db2.gz MNAPWXQJCLZAKL-SNVBAGLBSA-N -1 1 380.416 0.319 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575145103 952178172 /nfs/dbraw/zinc/17/81/72/952178172.db2.gz PYXGBKUFWJANQK-LLVKDONJSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2ccccc2n1 ZINC001575145108 952178271 /nfs/dbraw/zinc/17/82/71/952178271.db2.gz QAPTVTWTVOQTBL-NSHDSACASA-N -1 1 378.400 0.299 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575145533 952185457 /nfs/dbraw/zinc/18/54/57/952185457.db2.gz ZMEUZHZDUYSYPX-MRVPVSSYSA-N -1 1 392.374 0.322 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575153347 952208985 /nfs/dbraw/zinc/20/89/85/952208985.db2.gz GRKHGRRMEWAWGW-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575153347 952208986 /nfs/dbraw/zinc/20/89/86/952208986.db2.gz GRKHGRRMEWAWGW-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1ccncc1 ZINC001575153966 952214571 /nfs/dbraw/zinc/21/45/71/952214571.db2.gz MVOWPWLMHYJRAM-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1ccncc1 ZINC001575153966 952214579 /nfs/dbraw/zinc/21/45/79/952214579.db2.gz MVOWPWLMHYJRAM-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1ccncc1 ZINC001575153967 952215000 /nfs/dbraw/zinc/21/50/00/952215000.db2.gz MVOWPWLMHYJRAM-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1ccncc1 ZINC001575153967 952215004 /nfs/dbraw/zinc/21/50/04/952215004.db2.gz MVOWPWLMHYJRAM-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCOC1CCOCC1 ZINC001575153939 952215297 /nfs/dbraw/zinc/21/52/97/952215297.db2.gz MLBIUDCAOQHRDC-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCOC1CCOCC1 ZINC001575153939 952215303 /nfs/dbraw/zinc/21/53/03/952215303.db2.gz MLBIUDCAOQHRDC-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575153968 952215349 /nfs/dbraw/zinc/21/53/49/952215349.db2.gz MXIQPKHIKGJOSI-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575153968 952215356 /nfs/dbraw/zinc/21/53/56/952215356.db2.gz MXIQPKHIKGJOSI-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575154240 952217840 /nfs/dbraw/zinc/21/78/40/952217840.db2.gz QNKCQLJZUFXTCW-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575154240 952217844 /nfs/dbraw/zinc/21/78/44/952217844.db2.gz QNKCQLJZUFXTCW-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575154264 952219662 /nfs/dbraw/zinc/21/96/62/952219662.db2.gz AESSZSYYUWJJHY-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575154264 952219670 /nfs/dbraw/zinc/21/96/70/952219670.db2.gz AESSZSYYUWJJHY-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575154266 952220425 /nfs/dbraw/zinc/22/04/25/952220425.db2.gz AESSZSYYUWJJHY-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575154266 952220432 /nfs/dbraw/zinc/22/04/32/952220432.db2.gz AESSZSYYUWJJHY-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575154500 952225623 /nfs/dbraw/zinc/22/56/23/952225623.db2.gz RSGNKEHQGHZJPP-GHMZBOCLSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575154653 952227743 /nfs/dbraw/zinc/22/77/43/952227743.db2.gz GYJLMNDTSYGEJB-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575154653 952227752 /nfs/dbraw/zinc/22/77/52/952227752.db2.gz GYJLMNDTSYGEJB-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575154608 952228345 /nfs/dbraw/zinc/22/83/45/952228345.db2.gz FOEDGKAWYOIKQP-QGHHPUGFSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575154608 952228352 /nfs/dbraw/zinc/22/83/52/952228352.db2.gz FOEDGKAWYOIKQP-QGHHPUGFSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575154720 952229197 /nfs/dbraw/zinc/22/91/97/952229197.db2.gz VFAVYJQZWYPLHY-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575154654 952229477 /nfs/dbraw/zinc/22/94/77/952229477.db2.gz GYJLMNDTSYGEJB-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575154654 952229482 /nfs/dbraw/zinc/22/94/82/952229482.db2.gz GYJLMNDTSYGEJB-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575154717 952230144 /nfs/dbraw/zinc/23/01/44/952230144.db2.gz VFAVYJQZWYPLHY-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575154740 952231945 /nfs/dbraw/zinc/23/19/45/952231945.db2.gz HPRMFGKJEDXMEX-ZETCQYMHSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575154976 952232813 /nfs/dbraw/zinc/23/28/13/952232813.db2.gz IZXVYJJXGAMPFA-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575154976 952232816 /nfs/dbraw/zinc/23/28/16/952232816.db2.gz IZXVYJJXGAMPFA-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575154993 952233173 /nfs/dbraw/zinc/23/31/73/952233173.db2.gz JIQFTPUUCWZKGW-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575154993 952233175 /nfs/dbraw/zinc/23/31/75/952233175.db2.gz JIQFTPUUCWZKGW-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575155595 952242325 /nfs/dbraw/zinc/24/23/25/952242325.db2.gz OFQPOCDPYUAPPG-APPDUMDISA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575155595 952242332 /nfs/dbraw/zinc/24/23/32/952242332.db2.gz OFQPOCDPYUAPPG-APPDUMDISA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575155869 952244714 /nfs/dbraw/zinc/24/47/14/952244714.db2.gz AOVGLIXTOPTBHS-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575155869 952244719 /nfs/dbraw/zinc/24/47/19/952244719.db2.gz AOVGLIXTOPTBHS-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575155887 952246237 /nfs/dbraw/zinc/24/62/37/952246237.db2.gz APTQYEOBPNXTDB-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575155887 952246241 /nfs/dbraw/zinc/24/62/41/952246241.db2.gz APTQYEOBPNXTDB-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575155939 952247143 /nfs/dbraw/zinc/24/71/43/952247143.db2.gz AYHSOJQKOKTKIP-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575155939 952247151 /nfs/dbraw/zinc/24/71/51/952247151.db2.gz AYHSOJQKOKTKIP-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001575156284 952250770 /nfs/dbraw/zinc/25/07/70/952250770.db2.gz SCMGNJNIHADVAJ-FCZOUNMYSA-N -1 1 396.455 0.777 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001575156284 952250774 /nfs/dbraw/zinc/25/07/74/952250774.db2.gz SCMGNJNIHADVAJ-FCZOUNMYSA-N -1 1 396.455 0.777 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575156606 952254876 /nfs/dbraw/zinc/25/48/76/952254876.db2.gz GNOIGPIADGEKDP-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575156606 952254880 /nfs/dbraw/zinc/25/48/80/952254880.db2.gz GNOIGPIADGEKDP-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575156862 952258206 /nfs/dbraw/zinc/25/82/06/952258206.db2.gz WVKWHPVDMXBNEH-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575156862 952258209 /nfs/dbraw/zinc/25/82/09/952258209.db2.gz WVKWHPVDMXBNEH-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575157310 952263096 /nfs/dbraw/zinc/26/30/96/952263096.db2.gz LBJNCZWOUODKCD-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575157310 952263100 /nfs/dbraw/zinc/26/31/00/952263100.db2.gz LBJNCZWOUODKCD-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575157374 952264740 /nfs/dbraw/zinc/26/47/40/952264740.db2.gz ZQWGIAMLAPCHAI-QGZVFWFLSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575157374 952264742 /nfs/dbraw/zinc/26/47/42/952264742.db2.gz ZQWGIAMLAPCHAI-QGZVFWFLSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575157409 952265409 /nfs/dbraw/zinc/26/54/09/952265409.db2.gz MREVRHKVXFZBBO-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575157409 952265414 /nfs/dbraw/zinc/26/54/14/952265414.db2.gz MREVRHKVXFZBBO-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575157618 952266628 /nfs/dbraw/zinc/26/66/28/952266628.db2.gz NQESJSAMYSWJHR-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575157618 952266633 /nfs/dbraw/zinc/26/66/33/952266633.db2.gz NQESJSAMYSWJHR-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c(F)cncc1F ZINC001575158010 952269205 /nfs/dbraw/zinc/26/92/05/952269205.db2.gz QWLSMUCOFHZFSE-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cncc1F ZINC001575158010 952269214 /nfs/dbraw/zinc/26/92/14/952269214.db2.gz QWLSMUCOFHZFSE-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575158323 952270031 /nfs/dbraw/zinc/27/00/31/952270031.db2.gz SYEKOBRDPAWTQS-JTQLQIEISA-N -1 1 386.420 0.279 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575158444 952270900 /nfs/dbraw/zinc/27/09/00/952270900.db2.gz VIMJRVQIPDNRHN-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575158444 952270906 /nfs/dbraw/zinc/27/09/06/952270906.db2.gz VIMJRVQIPDNRHN-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575158400 952271960 /nfs/dbraw/zinc/27/19/60/952271960.db2.gz UREAISJAFTWHDC-WDEREUQCSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575158400 952271965 /nfs/dbraw/zinc/27/19/65/952271965.db2.gz UREAISJAFTWHDC-WDEREUQCSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575158619 952273440 /nfs/dbraw/zinc/27/34/40/952273440.db2.gz WPBURUBKFRMCJQ-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575158619 952273449 /nfs/dbraw/zinc/27/34/49/952273449.db2.gz WPBURUBKFRMCJQ-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575159293 952276552 /nfs/dbraw/zinc/27/65/52/952276552.db2.gz ZROAILDJRZFDQR-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575159293 952276556 /nfs/dbraw/zinc/27/65/56/952276556.db2.gz ZROAILDJRZFDQR-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575164855 952301444 /nfs/dbraw/zinc/30/14/44/952301444.db2.gz IFSGTEBKMMQUPA-PHDIDXHHSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575164855 952301451 /nfs/dbraw/zinc/30/14/51/952301451.db2.gz IFSGTEBKMMQUPA-PHDIDXHHSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1cncn1 ZINC001575165294 952307011 /nfs/dbraw/zinc/30/70/11/952307011.db2.gz MWYSIEGDHYFBSO-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1cncn1 ZINC001575165294 952307019 /nfs/dbraw/zinc/30/70/19/952307019.db2.gz MWYSIEGDHYFBSO-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575174284 952370162 /nfs/dbraw/zinc/37/01/62/952370162.db2.gz LCSVUPRCEFVJEI-QWRGUYRKSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575174284 952370166 /nfs/dbraw/zinc/37/01/66/952370166.db2.gz LCSVUPRCEFVJEI-QWRGUYRKSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575174360 952371753 /nfs/dbraw/zinc/37/17/53/952371753.db2.gz MWYPTZPPSNQKFZ-CVEARBPZSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575174360 952371763 /nfs/dbraw/zinc/37/17/63/952371763.db2.gz MWYPTZPPSNQKFZ-CVEARBPZSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575174552 952375241 /nfs/dbraw/zinc/37/52/41/952375241.db2.gz QOANHMHCRIJJLB-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575174552 952375246 /nfs/dbraw/zinc/37/52/46/952375246.db2.gz QOANHMHCRIJJLB-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575174593 952375291 /nfs/dbraw/zinc/37/52/91/952375291.db2.gz ABXRWNKCYXPJEP-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575174593 952375297 /nfs/dbraw/zinc/37/52/97/952375297.db2.gz ABXRWNKCYXPJEP-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COCc1cccnc1 ZINC001575174621 952377142 /nfs/dbraw/zinc/37/71/42/952377142.db2.gz AQAOAXHNYBZAOR-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COCc1cccnc1 ZINC001575174621 952377148 /nfs/dbraw/zinc/37/71/48/952377148.db2.gz AQAOAXHNYBZAOR-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575174736 952378044 /nfs/dbraw/zinc/37/80/44/952378044.db2.gz RVAYHLHTTGJVOG-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575174736 952378050 /nfs/dbraw/zinc/37/80/50/952378050.db2.gz RVAYHLHTTGJVOG-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCn1ccccc1=O ZINC001575174909 952379555 /nfs/dbraw/zinc/37/95/55/952379555.db2.gz UDGZRUYXTDLADB-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCn1ccccc1=O ZINC001575174909 952379561 /nfs/dbraw/zinc/37/95/61/952379561.db2.gz UDGZRUYXTDLADB-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575176313 952391860 /nfs/dbraw/zinc/39/18/60/952391860.db2.gz CQZJRFADQMUZEX-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575176313 952391867 /nfs/dbraw/zinc/39/18/67/952391867.db2.gz CQZJRFADQMUZEX-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575177250 952399929 /nfs/dbraw/zinc/39/99/29/952399929.db2.gz HOIRNMXIHPOGAI-RYUDHWBXSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575177250 952399934 /nfs/dbraw/zinc/39/99/34/952399934.db2.gz HOIRNMXIHPOGAI-RYUDHWBXSA-N -1 1 387.448 0.315 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575177633 952401882 /nfs/dbraw/zinc/40/18/82/952401882.db2.gz IOEHKCWJIPAXHA-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575177633 952401886 /nfs/dbraw/zinc/40/18/86/952401886.db2.gz IOEHKCWJIPAXHA-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001575178351 952405920 /nfs/dbraw/zinc/40/59/20/952405920.db2.gz OVWKATSCBUYPMR-HNNXBMFYSA-N -1 1 376.808 0.222 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCNC1=O ZINC001575179760 952414657 /nfs/dbraw/zinc/41/46/57/952414657.db2.gz QVPFSJZYNHAUOW-BQBZGAKWSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCNC1=O ZINC001575179760 952414660 /nfs/dbraw/zinc/41/46/60/952414660.db2.gz QVPFSJZYNHAUOW-BQBZGAKWSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575180218 952417122 /nfs/dbraw/zinc/41/71/22/952417122.db2.gz UDNAXHRVIXPWIO-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575180218 952417125 /nfs/dbraw/zinc/41/71/25/952417125.db2.gz UDNAXHRVIXPWIO-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575187295 952440509 /nfs/dbraw/zinc/44/05/09/952440509.db2.gz BQPFOFXRSQQHIT-RYUDHWBXSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575187295 952440515 /nfs/dbraw/zinc/44/05/15/952440515.db2.gz BQPFOFXRSQQHIT-RYUDHWBXSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575187893 952443677 /nfs/dbraw/zinc/44/36/77/952443677.db2.gz FEDHJOGXXAWMLE-GFCCVEGCSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575187893 952443681 /nfs/dbraw/zinc/44/36/81/952443681.db2.gz FEDHJOGXXAWMLE-GFCCVEGCSA-N -1 1 386.416 0.361 20 0 GCADMM COC(=O)c1cnc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cn1 ZINC001571114118 952449107 /nfs/dbraw/zinc/44/91/07/952449107.db2.gz BPJHNTVAKXNYEO-UHFFFAOYSA-N -1 1 375.295 0.652 20 0 GCADMM COC(=O)c1cnc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cn1 ZINC001571114118 952449110 /nfs/dbraw/zinc/44/91/10/952449110.db2.gz BPJHNTVAKXNYEO-UHFFFAOYSA-N -1 1 375.295 0.652 20 0 GCADMM Cc1ccsc1CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571117354 952480555 /nfs/dbraw/zinc/48/05/55/952480555.db2.gz KBFQESBFGVZDLE-UHFFFAOYSA-N -1 1 375.414 0.248 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197316 952481730 /nfs/dbraw/zinc/48/17/30/952481730.db2.gz SVPUVCPZLWTITK-FZMZJTMJSA-N -1 1 382.428 0.857 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)c2csc(-c3nn[n-]n3)c2)c(=O)[nH]c1=O ZINC001571117822 952484358 /nfs/dbraw/zinc/48/43/58/952484358.db2.gz RAYMJUXETUQQCU-UHFFFAOYSA-N -1 1 375.414 0.876 20 0 GCADMM O=C(NCCN1CCCS1(=O)=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001571118616 952488283 /nfs/dbraw/zinc/48/82/83/952488283.db2.gz XQBICLXNJJSCLK-UHFFFAOYSA-N -1 1 375.414 0.113 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3C[C@H](O)C[C@H](C)C3)CC2)o1 ZINC001571118736 952489102 /nfs/dbraw/zinc/48/91/02/952489102.db2.gz ZPEDMAYGANJTNH-GXFFZTMASA-N -1 1 375.433 0.609 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575199737 952489666 /nfs/dbraw/zinc/48/96/66/952489666.db2.gz FBVXCKMELAZNAT-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575199737 952489669 /nfs/dbraw/zinc/48/96/69/952489669.db2.gz FBVXCKMELAZNAT-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C2CC2)no1 ZINC001571119488 952492189 /nfs/dbraw/zinc/49/21/89/952492189.db2.gz CCHDBTUNVQENRX-CQSZACIVSA-N -1 1 376.402 0.557 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]2C)n1 ZINC001571119551 952492911 /nfs/dbraw/zinc/49/29/11/952492911.db2.gz CQHAJABRLRYOIZ-ULMHFPJVSA-N -1 1 376.396 0.353 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]2C)n1 ZINC001571119551 952492912 /nfs/dbraw/zinc/49/29/12/952492912.db2.gz CQHAJABRLRYOIZ-ULMHFPJVSA-N -1 1 376.396 0.353 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CC1(F)F ZINC001571119497 952493031 /nfs/dbraw/zinc/49/30/31/952493031.db2.gz BSFUFOLLKAMYIK-GYIHNLGQSA-N -1 1 376.371 0.928 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CC1(F)F ZINC001571119497 952493033 /nfs/dbraw/zinc/49/30/33/952493033.db2.gz BSFUFOLLKAMYIK-GYIHNLGQSA-N -1 1 376.371 0.928 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCOC2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571119709 952493790 /nfs/dbraw/zinc/49/37/90/952493790.db2.gz DWGXGIIIPMASDP-LYOVBCGYSA-N -1 1 376.396 0.259 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCOC2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571119709 952493792 /nfs/dbraw/zinc/49/37/92/952493792.db2.gz DWGXGIIIPMASDP-LYOVBCGYSA-N -1 1 376.396 0.259 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccn(C(F)F)n1 ZINC001571119941 952497106 /nfs/dbraw/zinc/49/71/06/952497106.db2.gz HHYACGDVEXMJJD-MRVPVSSYSA-N -1 1 376.331 0.257 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571120530 952504558 /nfs/dbraw/zinc/50/45/58/952504558.db2.gz MZGPXOGVOSPITQ-MVWJERBFSA-N -1 1 376.371 0.882 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571120530 952504562 /nfs/dbraw/zinc/50/45/62/952504562.db2.gz MZGPXOGVOSPITQ-MVWJERBFSA-N -1 1 376.371 0.882 20 0 GCADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001571120719 952507249 /nfs/dbraw/zinc/50/72/49/952507249.db2.gz OTDWWRFOJOFDMD-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001571120719 952507254 /nfs/dbraw/zinc/50/72/54/952507254.db2.gz OTDWWRFOJOFDMD-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC001571121067 952514591 /nfs/dbraw/zinc/51/45/91/952514591.db2.gz VVDFRJCUZBETCB-YPMHNXCESA-N -1 1 376.417 0.125 20 0 GCADMM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)O2 ZINC001571121077 952515391 /nfs/dbraw/zinc/51/53/91/952515391.db2.gz WBSSDBVCVGKAKI-KALYDTEFSA-N -1 1 376.421 0.694 20 0 GCADMM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)O2 ZINC001571121077 952515395 /nfs/dbraw/zinc/51/53/95/952515395.db2.gz WBSSDBVCVGKAKI-KALYDTEFSA-N -1 1 376.421 0.694 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@H]1CCC1(F)F ZINC001571121211 952517577 /nfs/dbraw/zinc/51/75/77/952517577.db2.gz YEXUPJHGLPWGFP-CHWFTXMASA-N -1 1 376.371 0.500 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@H]1CCC1(F)F ZINC001571121211 952517580 /nfs/dbraw/zinc/51/75/80/952517580.db2.gz YEXUPJHGLPWGFP-CHWFTXMASA-N -1 1 376.371 0.500 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571121337 952518677 /nfs/dbraw/zinc/51/86/77/952518677.db2.gz YTMUFWTXLIQMRZ-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571121337 952518682 /nfs/dbraw/zinc/51/86/82/952518682.db2.gz YTMUFWTXLIQMRZ-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM CC[C@H](SC)C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571121678 952520307 /nfs/dbraw/zinc/52/03/07/952520307.db2.gz BKJRWFSSQGSZGC-WDEREUQCSA-N -1 1 376.490 0.869 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)[C@]1(F)CCOC1 ZINC001571121380 952520445 /nfs/dbraw/zinc/52/04/45/952520445.db2.gz ZXZUEGDCOKIJDV-QFYYESIMSA-N -1 1 376.396 0.116 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)[C@]1(F)CCOC1 ZINC001571121380 952520451 /nfs/dbraw/zinc/52/04/51/952520451.db2.gz ZXZUEGDCOKIJDV-QFYYESIMSA-N -1 1 376.396 0.116 20 0 GCADMM CS[C@H](C)C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571122839 952527595 /nfs/dbraw/zinc/52/75/95/952527595.db2.gz MKACYOXDHAFQGO-LLVKDONJSA-N -1 1 376.490 0.871 20 0 GCADMM C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)c(F)c1 ZINC001571123440 952531214 /nfs/dbraw/zinc/53/12/14/952531214.db2.gz RZIVNIGEIVEKMB-ZETCQYMHSA-N -1 1 377.311 0.285 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575207514 952533296 /nfs/dbraw/zinc/53/32/96/952533296.db2.gz QPMLLBSOIAYLDW-LLVKDONJSA-N -1 1 382.432 0.330 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575207514 952533302 /nfs/dbraw/zinc/53/33/02/952533302.db2.gz QPMLLBSOIAYLDW-LLVKDONJSA-N -1 1 382.432 0.330 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575207892 952536241 /nfs/dbraw/zinc/53/62/41/952536241.db2.gz VGCCXLZDHWWXCW-RTXFEEFZSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575207892 952536244 /nfs/dbraw/zinc/53/62/44/952536244.db2.gz VGCCXLZDHWWXCW-RTXFEEFZSA-N -1 1 382.432 0.328 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ocnc1C(F)F ZINC001571124867 952545053 /nfs/dbraw/zinc/54/50/53/952545053.db2.gz WUPNUMNKFBJCES-LJGSYFOKSA-N -1 1 377.315 0.955 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ocnc1C(F)F ZINC001571124867 952545057 /nfs/dbraw/zinc/54/50/57/952545057.db2.gz WUPNUMNKFBJCES-LJGSYFOKSA-N -1 1 377.315 0.955 20 0 GCADMM CCc1ccnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571125035 952546980 /nfs/dbraw/zinc/54/69/80/952546980.db2.gz YPMYIAKZIMCCEZ-STQMWFEESA-N -1 1 377.412 0.717 20 0 GCADMM CCc1ccnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571125035 952546984 /nfs/dbraw/zinc/54/69/84/952546984.db2.gz YPMYIAKZIMCCEZ-STQMWFEESA-N -1 1 377.412 0.717 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccncc1 ZINC001571127117 952549990 /nfs/dbraw/zinc/54/99/90/952549990.db2.gz GLZFUBTURLRADH-KSSFIOAISA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccncc1 ZINC001571127117 952549995 /nfs/dbraw/zinc/54/99/95/952549995.db2.gz GLZFUBTURLRADH-KSSFIOAISA-N -1 1 377.412 0.983 20 0 GCADMM CC(F)(F)C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001575212858 952555314 /nfs/dbraw/zinc/55/53/14/952555314.db2.gz MRYYFZRTCCIEAK-UHFFFAOYSA-N -1 1 384.412 0.997 20 0 GCADMM Cc1nsc(N2CC[C@@](C)(NC(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571127585 952557540 /nfs/dbraw/zinc/55/75/40/952557540.db2.gz JGMGFDIIMORAGC-CYBMUJFWSA-N -1 1 377.459 0.882 20 0 GCADMM CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001571127570 952557860 /nfs/dbraw/zinc/55/78/60/952557860.db2.gz INTQWKMMBLYSAF-ZYHUDNBSSA-N -1 1 377.453 0.704 20 0 GCADMM CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001571127570 952557864 /nfs/dbraw/zinc/55/78/64/952557864.db2.gz INTQWKMMBLYSAF-ZYHUDNBSSA-N -1 1 377.453 0.704 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571127828 952560816 /nfs/dbraw/zinc/56/08/16/952560816.db2.gz OJOAIIDIFXMPJX-HUUCEWRRSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571127828 952560818 /nfs/dbraw/zinc/56/08/18/952560818.db2.gz OJOAIIDIFXMPJX-HUUCEWRRSA-N -1 1 377.412 0.935 20 0 GCADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O ZINC001571127881 952560950 /nfs/dbraw/zinc/56/09/50/952560950.db2.gz LJKYKSJLTPFFAA-KKOKHZNYSA-N -1 1 377.474 0.734 20 0 GCADMM CC(C)(CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(C)(F)F ZINC001575215477 952568097 /nfs/dbraw/zinc/56/80/97/952568097.db2.gz UKWIMASGXMJOGC-UHFFFAOYSA-N -1 1 386.363 0.110 20 0 GCADMM Cc1cnccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571128510 952568338 /nfs/dbraw/zinc/56/83/38/952568338.db2.gz VIFRCBCJBZSMMV-BETUJISGSA-N -1 1 377.412 0.854 20 0 GCADMM Cc1cnccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571128510 952568342 /nfs/dbraw/zinc/56/83/42/952568342.db2.gz VIFRCBCJBZSMMV-BETUJISGSA-N -1 1 377.412 0.854 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575221665 952570095 /nfs/dbraw/zinc/57/00/95/952570095.db2.gz APJHFENBTNJDOZ-SNVBAGLBSA-N -1 1 378.387 0.821 20 0 GCADMM CC(F)(F)C1(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575215911 952570498 /nfs/dbraw/zinc/57/04/98/952570498.db2.gz ZEUKUZRTAKJYLU-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM CC(F)(F)C1(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575215911 952570502 /nfs/dbraw/zinc/57/05/02/952570502.db2.gz ZEUKUZRTAKJYLU-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM Cc1cccnc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571128862 952571410 /nfs/dbraw/zinc/57/14/10/952571410.db2.gz XESPPGYQKPKUMB-BETUJISGSA-N -1 1 377.412 0.569 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccccn1 ZINC001571128965 952572463 /nfs/dbraw/zinc/57/24/63/952572463.db2.gz YJWULDRSCFRNFE-KBXCAEBGSA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccccn1 ZINC001571128965 952572468 /nfs/dbraw/zinc/57/24/68/952572468.db2.gz YJWULDRSCFRNFE-KBXCAEBGSA-N -1 1 377.412 0.983 20 0 GCADMM COc1ccccc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571129802 952576188 /nfs/dbraw/zinc/57/61/88/952576188.db2.gz JIXQJOFRNQCKLZ-JYAVWHMHSA-N -1 1 378.396 0.530 20 0 GCADMM Cn1cnnc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001571130052 952578548 /nfs/dbraw/zinc/57/85/48/952578548.db2.gz OIOTWNILKXSJMC-SECBINFHSA-N -1 1 378.393 0.313 20 0 GCADMM O=C([C@H]1COc2ccccc21)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130247 952579780 /nfs/dbraw/zinc/57/97/80/952579780.db2.gz QWHCACOXLVZMRJ-YPMHNXCESA-N -1 1 378.396 0.268 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571130549 952580985 /nfs/dbraw/zinc/58/09/85/952580985.db2.gz SURWZANLQOXMEU-STQMWFEESA-N -1 1 378.396 0.769 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571130549 952580988 /nfs/dbraw/zinc/58/09/88/952580988.db2.gz SURWZANLQOXMEU-STQMWFEESA-N -1 1 378.396 0.769 20 0 GCADMM CS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001571134604 952592819 /nfs/dbraw/zinc/59/28/19/952592819.db2.gz HVNHASCDKWPXSC-UHFFFAOYSA-N -1 1 378.439 0.586 20 0 GCADMM CS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001571134604 952592822 /nfs/dbraw/zinc/59/28/22/952592822.db2.gz HVNHASCDKWPXSC-UHFFFAOYSA-N -1 1 378.439 0.586 20 0 GCADMM O=C(c1cncnc1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571135889 952609871 /nfs/dbraw/zinc/60/98/71/952609871.db2.gz HCKHAPHWJAASPE-BETUJISGSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cncnc1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571135889 952609875 /nfs/dbraw/zinc/60/98/75/952609875.db2.gz HCKHAPHWJAASPE-BETUJISGSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571135909 952610248 /nfs/dbraw/zinc/61/02/48/952610248.db2.gz HNZQOJKETFXIGE-SMDDNHRTSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571135909 952610250 /nfs/dbraw/zinc/61/02/50/952610250.db2.gz HNZQOJKETFXIGE-SMDDNHRTSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1cncnc1 ZINC001571135997 952611046 /nfs/dbraw/zinc/61/10/46/952611046.db2.gz KCSZVXDASRSCKD-GFCCVEGCSA-N -1 1 378.400 0.236 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc2c1OCC2 ZINC001571136101 952613290 /nfs/dbraw/zinc/61/32/90/952613290.db2.gz MOPSFHYGILSFNU-GFCCVEGCSA-N -1 1 378.396 0.600 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc2c1OCC2 ZINC001571136101 952613297 /nfs/dbraw/zinc/61/32/97/952613297.db2.gz MOPSFHYGILSFNU-GFCCVEGCSA-N -1 1 378.396 0.600 20 0 GCADMM O=C(c1ccnnc1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571136132 952613400 /nfs/dbraw/zinc/61/34/00/952613400.db2.gz MUVXQHSRYTZZKP-CHWSQXEVSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1ncccn1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136760 952615947 /nfs/dbraw/zinc/61/59/47/952615947.db2.gz UXCVZFWSFLDONW-DGCLKSJQSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1ncccn1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136760 952615954 /nfs/dbraw/zinc/61/59/54/952615954.db2.gz UXCVZFWSFLDONW-DGCLKSJQSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)CCO2 ZINC001571136770 952616063 /nfs/dbraw/zinc/61/60/63/952616063.db2.gz VIOBOHDYTJWHSA-ZDUSSCGKSA-N -1 1 378.396 0.600 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)CCO2 ZINC001571136770 952616073 /nfs/dbraw/zinc/61/60/73/952616073.db2.gz VIOBOHDYTJWHSA-ZDUSSCGKSA-N -1 1 378.396 0.600 20 0 GCADMM O=C(c1ccc2c(c1)CCO2)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571136753 952616244 /nfs/dbraw/zinc/61/62/44/952616244.db2.gz UGUBYMXNKAEJTB-UHFFFAOYSA-N -1 1 378.396 0.554 20 0 GCADMM O=C(c1ccc2c(c1)CCO2)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571136753 952616246 /nfs/dbraw/zinc/61/62/46/952616246.db2.gz UGUBYMXNKAEJTB-UHFFFAOYSA-N -1 1 378.396 0.554 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)c1cccnn1 ZINC001571136751 952616328 /nfs/dbraw/zinc/61/63/28/952616328.db2.gz UGPVMRKMEWVNEB-SRVKXCTJSA-N -1 1 378.400 0.234 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)c1cccnn1 ZINC001571136751 952616330 /nfs/dbraw/zinc/61/63/30/952616330.db2.gz UGPVMRKMEWVNEB-SRVKXCTJSA-N -1 1 378.400 0.234 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc2c1OCC2 ZINC001571136768 952616374 /nfs/dbraw/zinc/61/63/74/952616374.db2.gz VDYVZEDLPCVYKM-HAQNSBGRSA-N -1 1 378.396 0.965 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc2c1OCC2 ZINC001571136768 952616376 /nfs/dbraw/zinc/61/63/76/952616376.db2.gz VDYVZEDLPCVYKM-HAQNSBGRSA-N -1 1 378.396 0.965 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccnc(C2CC2)n1 ZINC001571137012 952618204 /nfs/dbraw/zinc/61/82/04/952618204.db2.gz ZNHQWMIYTOJAFF-LLVKDONJSA-N -1 1 378.400 0.333 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccnc(C2CC2)n1 ZINC001571137012 952618210 /nfs/dbraw/zinc/61/82/10/952618210.db2.gz ZNHQWMIYTOJAFF-LLVKDONJSA-N -1 1 378.400 0.333 20 0 GCADMM COc1ncc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC001571139257 952619586 /nfs/dbraw/zinc/61/95/86/952619586.db2.gz DIEMMVUXTHUIKE-SNVBAGLBSA-N -1 1 379.377 0.094 20 0 GCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC001571140015 952622640 /nfs/dbraw/zinc/62/26/40/952622640.db2.gz NELVRQMDQPQRLZ-UHFFFAOYSA-N -1 1 379.380 0.559 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n1 ZINC001571140061 952623782 /nfs/dbraw/zinc/62/37/82/952623782.db2.gz OJRVNAVPKCEUQU-UHFFFAOYSA-N -1 1 379.384 0.717 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n1 ZINC001571140061 952623787 /nfs/dbraw/zinc/62/37/87/952623787.db2.gz OJRVNAVPKCEUQU-UHFFFAOYSA-N -1 1 379.384 0.717 20 0 GCADMM Cc1[nH]nc(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c1-c1nn[n-]n1 ZINC001571141365 952634112 /nfs/dbraw/zinc/63/41/12/952634112.db2.gz XVTHLVNCMNGAJB-PHDIDXHHSA-N -1 1 379.324 0.060 20 0 GCADMM Cc1cnccc1CC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571146019 952647417 /nfs/dbraw/zinc/64/74/17/952647417.db2.gz AAACBUXNUDIHBF-AWEZNQCLSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1cnccc1CC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571146019 952647418 /nfs/dbraw/zinc/64/74/18/952647418.db2.gz AAACBUXNUDIHBF-AWEZNQCLSA-N -1 1 379.428 0.640 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571146604 952649798 /nfs/dbraw/zinc/64/97/98/952649798.db2.gz JNLRGXZPHHGDSV-OCCSQVGLSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571146604 952649802 /nfs/dbraw/zinc/64/98/02/952649802.db2.gz JNLRGXZPHHGDSV-OCCSQVGLSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)c1 ZINC001571146619 952650214 /nfs/dbraw/zinc/65/02/14/952650214.db2.gz JXEVJDCEWDKHOR-YUTCNCBUSA-N -1 1 379.428 0.783 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)c1 ZINC001571146619 952650218 /nfs/dbraw/zinc/65/02/18/952650218.db2.gz JXEVJDCEWDKHOR-YUTCNCBUSA-N -1 1 379.428 0.783 20 0 GCADMM Cn1cccc1C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571146745 952652385 /nfs/dbraw/zinc/65/23/85/952652385.db2.gz MMGSWYRPMHUNDI-CHWSQXEVSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1cccc1C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571146745 952652388 /nfs/dbraw/zinc/65/23/88/952652388.db2.gz MMGSWYRPMHUNDI-CHWSQXEVSA-N -1 1 379.428 0.736 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001571146924 952654336 /nfs/dbraw/zinc/65/43/36/952654336.db2.gz CXQTVLHIFPQXRN-JSGCOSHPSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001571146924 952654339 /nfs/dbraw/zinc/65/43/39/952654339.db2.gz CXQTVLHIFPQXRN-JSGCOSHPSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001571146926 952654626 /nfs/dbraw/zinc/65/46/26/952654626.db2.gz CXQTVLHIFPQXRN-TZMCWYRMSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001571146926 952654629 /nfs/dbraw/zinc/65/46/29/952654629.db2.gz CXQTVLHIFPQXRN-TZMCWYRMSA-N -1 1 379.428 0.943 20 0 GCADMM Cc1ncccc1CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571147016 952655121 /nfs/dbraw/zinc/65/51/21/952655121.db2.gz PRTMQZPKPHVEMG-CQSZACIVSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1ncccc1CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571147016 952655126 /nfs/dbraw/zinc/65/51/26/952655126.db2.gz PRTMQZPKPHVEMG-CQSZACIVSA-N -1 1 379.428 0.640 20 0 GCADMM CCc1cccnc1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571147155 952657704 /nfs/dbraw/zinc/65/77/04/952657704.db2.gz HQGWVBHFXZCCRL-UHFFFAOYSA-N -1 1 379.428 0.967 20 0 GCADMM CCc1cccnc1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571147155 952657708 /nfs/dbraw/zinc/65/77/08/952657708.db2.gz HQGWVBHFXZCCRL-UHFFFAOYSA-N -1 1 379.428 0.967 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cc(C)c(C)cn3)C2)n1 ZINC001571147406 952660441 /nfs/dbraw/zinc/66/04/41/952660441.db2.gz MDWALQIMLRHKNU-ZDUSSCGKSA-N -1 1 379.428 0.986 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cc(C)c(C)cn3)C2)n1 ZINC001571147406 952660444 /nfs/dbraw/zinc/66/04/44/952660444.db2.gz MDWALQIMLRHKNU-ZDUSSCGKSA-N -1 1 379.428 0.986 20 0 GCADMM O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571147436 952661756 /nfs/dbraw/zinc/66/17/56/952661756.db2.gz YCEAZARMBOVXDV-SGTLLEGYSA-N -1 1 379.428 0.761 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnc2)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571147531 952662779 /nfs/dbraw/zinc/66/27/79/952662779.db2.gz NDCVORTYHVZZHX-OCCSQVGLSA-N -1 1 379.428 0.826 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2ccc[nH]2)n1 ZINC001571147742 952663534 /nfs/dbraw/zinc/66/35/34/952663534.db2.gz PHXGXCGUBHVDAR-PBKGOJFUSA-N -1 1 379.428 0.341 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2ccc[nH]2)n1 ZINC001571147742 952663536 /nfs/dbraw/zinc/66/35/36/952663536.db2.gz PHXGXCGUBHVDAR-PBKGOJFUSA-N -1 1 379.428 0.341 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571148428 952667134 /nfs/dbraw/zinc/66/71/34/952667134.db2.gz ZGWJEHJUKQXBJV-TZMCWYRMSA-N -1 1 379.428 0.801 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571148428 952667136 /nfs/dbraw/zinc/66/71/36/952667136.db2.gz ZGWJEHJUKQXBJV-TZMCWYRMSA-N -1 1 379.428 0.801 20 0 GCADMM Cc1nsc(N2CC[C@@](C)(NC(=O)[C@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571151768 952679577 /nfs/dbraw/zinc/67/95/77/952679577.db2.gz WYVZDVSJQDZPJX-MEBBXXQBSA-N -1 1 379.446 0.132 20 0 GCADMM C[C@H](C(=O)Nc1cccc(F)c1S(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001571153570 952685977 /nfs/dbraw/zinc/68/59/77/952685977.db2.gz QWVIWUFINHMVAP-SSDOTTSWSA-N -1 1 380.365 0.201 20 0 GCADMM Cc1cccc(F)c1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571154760 952689220 /nfs/dbraw/zinc/68/92/20/952689220.db2.gz AWYHDYJRADZCLU-CDMJZVDBSA-N -1 1 380.387 0.969 20 0 GCADMM Cc1cccc(F)c1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571154760 952689223 /nfs/dbraw/zinc/68/92/23/952689223.db2.gz AWYHDYJRADZCLU-CDMJZVDBSA-N -1 1 380.387 0.969 20 0 GCADMM Cc1cnccc1C(=O)N1CC[C@H](N=c2cc[nH]c(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571156055 952700802 /nfs/dbraw/zinc/70/08/02/952700802.db2.gz BVUGCAJMKTZWNL-JSGCOSHPSA-N -1 1 379.428 0.745 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571156598 952702600 /nfs/dbraw/zinc/70/26/00/952702600.db2.gz DRARWGOWDFNGOU-CYBMUJFWSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571156598 952702604 /nfs/dbraw/zinc/70/26/04/952702604.db2.gz DRARWGOWDFNGOU-CYBMUJFWSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cn1 ZINC001571156803 952704509 /nfs/dbraw/zinc/70/45/09/952704509.db2.gz JXXSYSOSNXSFNX-IAQYHMDHSA-N -1 1 379.428 0.544 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cn1 ZINC001571156803 952704513 /nfs/dbraw/zinc/70/45/13/952704513.db2.gz JXXSYSOSNXSFNX-IAQYHMDHSA-N -1 1 379.428 0.544 20 0 GCADMM COc1cc(C)ccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571158209 952710116 /nfs/dbraw/zinc/71/01/16/952710116.db2.gz DVAMVQCFQZVXNM-GFCCVEGCSA-N -1 1 380.412 0.722 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccccc1 ZINC001571158307 952711552 /nfs/dbraw/zinc/71/15/52/952711552.db2.gz GRHBWNLVAIBBST-GLQYFDAESA-N -1 1 380.412 0.126 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccccc1 ZINC001571158307 952711556 /nfs/dbraw/zinc/71/15/56/952711556.db2.gz GRHBWNLVAIBBST-GLQYFDAESA-N -1 1 380.412 0.126 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cc1C ZINC001571158930 952715899 /nfs/dbraw/zinc/71/58/99/952715899.db2.gz UNLLFVNWXUUDPC-IUODEOHRSA-N -1 1 379.428 0.923 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cc1C ZINC001571158930 952715904 /nfs/dbraw/zinc/71/59/04/952715904.db2.gz UNLLFVNWXUUDPC-IUODEOHRSA-N -1 1 379.428 0.923 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)c1ccccc1O ZINC001571159341 952718354 /nfs/dbraw/zinc/71/83/54/952718354.db2.gz UVMACZUQLGVQMJ-VXGBXAGGSA-N -1 1 380.412 0.865 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1occ2c1CCC2 ZINC001571160026 952723364 /nfs/dbraw/zinc/72/33/64/952723364.db2.gz BDOSADVPVWDGFR-NSHDSACASA-N -1 1 380.412 0.995 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1occ2c1CCC2 ZINC001571160026 952723367 /nfs/dbraw/zinc/72/33/67/952723367.db2.gz BDOSADVPVWDGFR-NSHDSACASA-N -1 1 380.412 0.995 20 0 GCADMM O=C(c1ccccc1O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571160808 952728458 /nfs/dbraw/zinc/72/84/58/952728458.db2.gz MFRUMTRTVMVNNU-LBPRGKRZSA-N -1 1 380.412 0.891 20 0 GCADMM O=C(Cc1ccoc1)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571161036 952729351 /nfs/dbraw/zinc/72/93/51/952729351.db2.gz PCTCGVFDYYGVJS-UHFFFAOYSA-N -1 1 380.412 0.754 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)n1 ZINC001571161786 952734280 /nfs/dbraw/zinc/73/42/80/952734280.db2.gz ACDPCSBOYOZNPT-GFCCVEGCSA-N -1 1 380.416 0.400 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)n1 ZINC001571161786 952734284 /nfs/dbraw/zinc/73/42/84/952734284.db2.gz ACDPCSBOYOZNPT-GFCCVEGCSA-N -1 1 380.416 0.400 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571161793 952734355 /nfs/dbraw/zinc/73/43/55/952734355.db2.gz AIVLNDKUSRHIDA-MFKMUULPSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571161793 952734359 /nfs/dbraw/zinc/73/43/59/952734359.db2.gz AIVLNDKUSRHIDA-MFKMUULPSA-N -1 1 380.416 0.372 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571161820 952735485 /nfs/dbraw/zinc/73/54/85/952735485.db2.gz BGFJUWPOJNJNPQ-NWDGAFQWSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1ccnc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571161803 952735642 /nfs/dbraw/zinc/73/56/42/952735642.db2.gz AYINDIFSVJUZQH-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccnc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571161803 952735646 /nfs/dbraw/zinc/73/56/46/952735646.db2.gz AYINDIFSVJUZQH-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571161889 952736033 /nfs/dbraw/zinc/73/60/33/952736033.db2.gz DIMQDYAGTHTERM-LBPRGKRZSA-N -1 1 380.416 0.477 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571161889 952736038 /nfs/dbraw/zinc/73/60/38/952736038.db2.gz DIMQDYAGTHTERM-LBPRGKRZSA-N -1 1 380.416 0.477 20 0 GCADMM CCn1cc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)cn1 ZINC001571161954 952736159 /nfs/dbraw/zinc/73/61/59/952736159.db2.gz GCJPWFOEPUCPRF-BETUJISGSA-N -1 1 380.416 0.082 20 0 GCADMM CCn1cc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)cn1 ZINC001571161954 952736161 /nfs/dbraw/zinc/73/61/61/952736161.db2.gz GCJPWFOEPUCPRF-BETUJISGSA-N -1 1 380.416 0.082 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)nn1 ZINC001571161926 952736461 /nfs/dbraw/zinc/73/64/61/952736461.db2.gz FIWHANOONPZXEY-TXEJJXNPSA-N -1 1 380.416 0.690 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)nn1 ZINC001571161926 952736465 /nfs/dbraw/zinc/73/64/65/952736465.db2.gz FIWHANOONPZXEY-TXEJJXNPSA-N -1 1 380.416 0.690 20 0 GCADMM CCc1nc(NC2CC(N(C)C(=O)c3cccnn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571162015 952737391 /nfs/dbraw/zinc/73/73/91/952737391.db2.gz HVOZQPCTUNEHRH-UHFFFAOYSA-N -1 1 380.416 0.724 20 0 GCADMM CCc1nc(NC2CC(N(C)C(=O)c3cccnn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571162015 952737395 /nfs/dbraw/zinc/73/73/95/952737395.db2.gz HVOZQPCTUNEHRH-UHFFFAOYSA-N -1 1 380.416 0.724 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571161974 952737481 /nfs/dbraw/zinc/73/74/81/952737481.db2.gz GRVFPOCFERUXCQ-OLZOCXBDSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571161974 952737487 /nfs/dbraw/zinc/73/74/87/952737487.db2.gz GRVFPOCFERUXCQ-OLZOCXBDSA-N -1 1 380.416 0.908 20 0 GCADMM C[C@@H](NC(=O)c1ncccn1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571162014 952737566 /nfs/dbraw/zinc/73/75/66/952737566.db2.gz HTBWCWKGAYPKQI-LLVKDONJSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@@H](NC(=O)c1ncccn1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571162014 952737568 /nfs/dbraw/zinc/73/75/68/952737568.db2.gz HTBWCWKGAYPKQI-LLVKDONJSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571161973 952737752 /nfs/dbraw/zinc/73/77/52/952737752.db2.gz GRVFPOCFERUXCQ-CHWSQXEVSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571161973 952737755 /nfs/dbraw/zinc/73/77/55/952737755.db2.gz GRVFPOCFERUXCQ-CHWSQXEVSA-N -1 1 380.416 0.908 20 0 GCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cnn2c1CCC2 ZINC001571162021 952737781 /nfs/dbraw/zinc/73/77/81/952737781.db2.gz IAHLWDBYVPKFSJ-ZYHUDNBSSA-N -1 1 380.416 0.054 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571161987 952737833 /nfs/dbraw/zinc/73/78/33/952737833.db2.gz GWVPCQBBZYSJDQ-KRWDZBQOSA-N -1 1 380.416 0.431 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571161987 952737837 /nfs/dbraw/zinc/73/78/37/952737837.db2.gz GWVPCQBBZYSJDQ-KRWDZBQOSA-N -1 1 380.416 0.431 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571162075 952738817 /nfs/dbraw/zinc/73/88/17/952738817.db2.gz JIGFSTSDJNNFCJ-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571162075 952738824 /nfs/dbraw/zinc/73/88/24/952738824.db2.gz JIGFSTSDJNNFCJ-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CN(C)c1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571162119 952739611 /nfs/dbraw/zinc/73/96/11/952739611.db2.gz KTPCMLQPEINAGW-LBPRGKRZSA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571162119 952739614 /nfs/dbraw/zinc/73/96/14/952739614.db2.gz KTPCMLQPEINAGW-LBPRGKRZSA-N -1 1 380.416 0.444 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571162150 952739853 /nfs/dbraw/zinc/73/98/53/952739853.db2.gz MDPGQWVSGUCXRV-GFCCVEGCSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571162150 952739855 /nfs/dbraw/zinc/73/98/55/952739855.db2.gz MDPGQWVSGUCXRV-GFCCVEGCSA-N -1 1 380.416 0.354 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnccn1 ZINC001571162209 952740759 /nfs/dbraw/zinc/74/07/59/952740759.db2.gz NVMDBUSIAMKVCX-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnccn1 ZINC001571162209 952740761 /nfs/dbraw/zinc/74/07/61/952740761.db2.gz NVMDBUSIAMKVCX-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571162213 952741136 /nfs/dbraw/zinc/74/11/36/952741136.db2.gz NZBNHLFOOKQTBU-NEPJUHHUSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571162213 952741140 /nfs/dbraw/zinc/74/11/40/952741140.db2.gz NZBNHLFOOKQTBU-NEPJUHHUSA-N -1 1 380.416 0.841 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnccn1 ZINC001571162207 952741193 /nfs/dbraw/zinc/74/11/93/952741193.db2.gz NVMDBUSIAMKVCX-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnccn1 ZINC001571162207 952741198 /nfs/dbraw/zinc/74/11/98/952741198.db2.gz NVMDBUSIAMKVCX-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)c3cccnn3)CC2)n1 ZINC001571162336 952741746 /nfs/dbraw/zinc/74/17/46/952741746.db2.gz QPDQIILKMAHYED-UHFFFAOYSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)c3cccnn3)CC2)n1 ZINC001571162336 952741747 /nfs/dbraw/zinc/74/17/47/952741747.db2.gz QPDQIILKMAHYED-UHFFFAOYSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)ncn1 ZINC001571162357 952742136 /nfs/dbraw/zinc/74/21/36/952742136.db2.gz RQLYRLKYBFKZTJ-GFCCVEGCSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)ncn1 ZINC001571162357 952742140 /nfs/dbraw/zinc/74/21/40/952742140.db2.gz RQLYRLKYBFKZTJ-GFCCVEGCSA-N -1 1 380.416 0.544 20 0 GCADMM CCc1ncncc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571162333 952742210 /nfs/dbraw/zinc/74/22/10/952742210.db2.gz QNPZARIVJNAOOG-NSHDSACASA-N -1 1 380.416 0.326 20 0 GCADMM CCc1ncncc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571162333 952742216 /nfs/dbraw/zinc/74/22/16/952742216.db2.gz QNPZARIVJNAOOG-NSHDSACASA-N -1 1 380.416 0.326 20 0 GCADMM Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571162373 952742595 /nfs/dbraw/zinc/74/25/95/952742595.db2.gz SGXRPNFQQZMZCA-GFCCVEGCSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571162373 952742599 /nfs/dbraw/zinc/74/25/99/952742599.db2.gz SGXRPNFQQZMZCA-GFCCVEGCSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571162383 952742905 /nfs/dbraw/zinc/74/29/05/952742905.db2.gz SJWOCUPEBJLXCF-CYBMUJFWSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162383 952742909 /nfs/dbraw/zinc/74/29/09/952742909.db2.gz SJWOCUPEBJLXCF-CYBMUJFWSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571162395 952742993 /nfs/dbraw/zinc/74/29/93/952742993.db2.gz SRWGCZPMCHSBII-NWDGAFQWSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571162395 952742997 /nfs/dbraw/zinc/74/29/97/952742997.db2.gz SRWGCZPMCHSBII-NWDGAFQWSA-N -1 1 380.416 0.718 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ncccn2)CC1 ZINC001571162639 952745301 /nfs/dbraw/zinc/74/53/01/952745301.db2.gz XBMPROXFPVEPNF-LLVKDONJSA-N -1 1 380.416 0.221 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3c[nH]nc3C3CC3)C2)n1 ZINC001571162629 952745370 /nfs/dbraw/zinc/74/53/70/952745370.db2.gz WQTJTSUKJMCHMU-LLVKDONJSA-N -1 1 380.416 0.892 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3c[nH]nc3C3CC3)C2)n1 ZINC001571162629 952745373 /nfs/dbraw/zinc/74/53/73/952745373.db2.gz WQTJTSUKJMCHMU-LLVKDONJSA-N -1 1 380.416 0.892 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cnn1 ZINC001571162689 952745408 /nfs/dbraw/zinc/74/54/08/952745408.db2.gz XWYBRQAOALHIFC-AAEUAGOBSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cnn1 ZINC001571162689 952745411 /nfs/dbraw/zinc/74/54/11/952745411.db2.gz XWYBRQAOALHIFC-AAEUAGOBSA-N -1 1 380.416 0.766 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccncn1 ZINC001571162784 952745918 /nfs/dbraw/zinc/74/59/18/952745918.db2.gz ZXKHFEKEGYSTCN-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccncn1 ZINC001571162784 952745919 /nfs/dbraw/zinc/74/59/19/952745919.db2.gz ZXKHFEKEGYSTCN-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3cccnn3)CC[C@H]2C)n1 ZINC001571162727 952746204 /nfs/dbraw/zinc/74/62/04/952746204.db2.gz YNPRFCVDOXRLOU-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3cccnn3)CC[C@H]2C)n1 ZINC001571162727 952746207 /nfs/dbraw/zinc/74/62/07/952746207.db2.gz YNPRFCVDOXRLOU-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cn1cnc(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)c1 ZINC001571165011 952746336 /nfs/dbraw/zinc/74/63/36/952746336.db2.gz AWYVMJNPUVGXMW-KRWDZBQOSA-N -1 1 380.416 0.133 20 0 GCADMM O=C(Cc1cc[nH]n1)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571164994 952746424 /nfs/dbraw/zinc/74/64/24/952746424.db2.gz AKPVFWMTGPKSTI-YHWZYXNKSA-N -1 1 380.416 0.239 20 0 GCADMM O=C(Cc1cc[nH]n1)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571164994 952746428 /nfs/dbraw/zinc/74/64/28/952746428.db2.gz AKPVFWMTGPKSTI-YHWZYXNKSA-N -1 1 380.416 0.239 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cncnc1 ZINC001571162701 952746629 /nfs/dbraw/zinc/74/66/29/952746629.db2.gz XYNMEYSONGQWLB-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cncnc1 ZINC001571162701 952746637 /nfs/dbraw/zinc/74/66/37/952746637.db2.gz XYNMEYSONGQWLB-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165054 952746935 /nfs/dbraw/zinc/74/69/35/952746935.db2.gz BQJVJIADLDVDEP-ZYHUDNBSSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165054 952746936 /nfs/dbraw/zinc/74/69/36/952746936.db2.gz BQJVJIADLDVDEP-ZYHUDNBSSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571165226 952748012 /nfs/dbraw/zinc/74/80/12/952748012.db2.gz GOTHPMPPCJLKPJ-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571165226 952748016 /nfs/dbraw/zinc/74/80/16/952748016.db2.gz GOTHPMPPCJLKPJ-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM O=C([C@@H]1CCn2ccnc2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165204 952748095 /nfs/dbraw/zinc/74/80/95/952748095.db2.gz FWMIHOPVEMEGQY-VXGBXAGGSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@@H]1CCn2ccnc2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165204 952748098 /nfs/dbraw/zinc/74/80/98/952748098.db2.gz FWMIHOPVEMEGQY-VXGBXAGGSA-N -1 1 380.416 0.129 20 0 GCADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1n[nH]c2c1CCC2 ZINC001571165164 952748131 /nfs/dbraw/zinc/74/81/31/952748131.db2.gz DMMOWRJZKUPBPW-SNVBAGLBSA-N -1 1 380.416 0.125 20 0 GCADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1n[nH]c2c1CCC2 ZINC001571165164 952748135 /nfs/dbraw/zinc/74/81/35/952748135.db2.gz DMMOWRJZKUPBPW-SNVBAGLBSA-N -1 1 380.416 0.125 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165223 952748420 /nfs/dbraw/zinc/74/84/20/952748420.db2.gz GOTHPMPPCJLKPJ-CMPLNLGQSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165223 952748424 /nfs/dbraw/zinc/74/84/24/952748424.db2.gz GOTHPMPPCJLKPJ-CMPLNLGQSA-N -1 1 380.416 0.575 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(C2CC2)n[nH]1 ZINC001571165167 952748677 /nfs/dbraw/zinc/74/86/77/952748677.db2.gz DRMGLMQVVGZARU-SNVBAGLBSA-N -1 1 380.416 0.514 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(C2CC2)n[nH]1 ZINC001571165167 952748683 /nfs/dbraw/zinc/74/86/83/952748683.db2.gz DRMGLMQVVGZARU-SNVBAGLBSA-N -1 1 380.416 0.514 20 0 GCADMM O=C(c1cccnn1)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571165198 952748724 /nfs/dbraw/zinc/74/87/24/952748724.db2.gz FQDZPEDAVZSAGW-UHFFFAOYSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1cccnn1)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571165198 952748727 /nfs/dbraw/zinc/74/87/27/952748727.db2.gz FQDZPEDAVZSAGW-UHFFFAOYSA-N -1 1 380.416 0.801 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571165229 952749392 /nfs/dbraw/zinc/74/93/92/952749392.db2.gz GRNVPOFBYGSREI-GFCCVEGCSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571165229 952749395 /nfs/dbraw/zinc/74/93/95/952749395.db2.gz GRNVPOFBYGSREI-GFCCVEGCSA-N -1 1 380.416 0.354 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnc2n1CCCC2 ZINC001571165507 952751739 /nfs/dbraw/zinc/75/17/39/952751739.db2.gz IQBUFXAACKRKNH-XYPYZODXSA-N -1 1 380.416 0.562 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnc2n1CCCC2 ZINC001571165507 952751741 /nfs/dbraw/zinc/75/17/41/952751741.db2.gz IQBUFXAACKRKNH-XYPYZODXSA-N -1 1 380.416 0.562 20 0 GCADMM Cc1ncc(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c(C)n1 ZINC001571165505 952752705 /nfs/dbraw/zinc/75/27/05/952752705.db2.gz INHWIKBMGQMKBH-LBPRGKRZSA-N -1 1 380.416 0.414 20 0 GCADMM Cc1ncc(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c(C)n1 ZINC001571165505 952752708 /nfs/dbraw/zinc/75/27/08/952752708.db2.gz INHWIKBMGQMKBH-LBPRGKRZSA-N -1 1 380.416 0.414 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571165795 952754168 /nfs/dbraw/zinc/75/41/68/952754168.db2.gz KTKMHFRFLMFQPT-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571165795 952754174 /nfs/dbraw/zinc/75/41/74/952754174.db2.gz KTKMHFRFLMFQPT-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ncncc1C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571165774 952754631 /nfs/dbraw/zinc/75/46/31/952754631.db2.gz KDJOWLXROXCRHW-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ncncc1C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571165774 952754634 /nfs/dbraw/zinc/75/46/34/952754634.db2.gz KDJOWLXROXCRHW-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM O=C(Cc1ncc[nH]1)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571165752 952754999 /nfs/dbraw/zinc/75/49/99/952754999.db2.gz JQNKCZGLLBEDHI-YOGCLGLASA-N -1 1 380.416 0.239 20 0 GCADMM O=C(Cc1ncc[nH]1)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571165752 952755004 /nfs/dbraw/zinc/75/50/04/952755004.db2.gz JQNKCZGLLBEDHI-YOGCLGLASA-N -1 1 380.416 0.239 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC001571165826 952755084 /nfs/dbraw/zinc/75/50/84/952755084.db2.gz LSDBWPPYOFGAGI-YUSALJHKSA-N -1 1 380.416 0.244 20 0 GCADMM Cc1ncc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)c(C)n1 ZINC001571165839 952755959 /nfs/dbraw/zinc/75/59/59/952755959.db2.gz LWQJNSOQHBEMNA-UHFFFAOYSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1ncc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)c(C)n1 ZINC001571165839 952755968 /nfs/dbraw/zinc/75/59/68/952755968.db2.gz LWQJNSOQHBEMNA-UHFFFAOYSA-N -1 1 380.416 0.684 20 0 GCADMM O=C([C@@H]1CCc2n[nH]cc2C1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165838 952756079 /nfs/dbraw/zinc/75/60/79/952756079.db2.gz LVUPFJQYDVSQBR-ZYHUDNBSSA-N -1 1 380.416 0.198 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC001571165831 952756238 /nfs/dbraw/zinc/75/62/38/952756238.db2.gz LSIOAGJPIIEPQE-VXGBXAGGSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC001571165831 952756239 /nfs/dbraw/zinc/75/62/39/952756239.db2.gz LSIOAGJPIIEPQE-VXGBXAGGSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC001571165830 952756462 /nfs/dbraw/zinc/75/64/62/952756462.db2.gz LSIOAGJPIIEPQE-RYUDHWBXSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC001571165830 952756465 /nfs/dbraw/zinc/75/64/65/952756465.db2.gz LSIOAGJPIIEPQE-RYUDHWBXSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1ncc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(C)n1 ZINC001571166064 952756874 /nfs/dbraw/zinc/75/68/74/952756874.db2.gz NBARTBOZEZYWOY-UHFFFAOYSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1ncc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(C)n1 ZINC001571166064 952756877 /nfs/dbraw/zinc/75/68/77/952756877.db2.gz NBARTBOZEZYWOY-UHFFFAOYSA-N -1 1 380.416 0.462 20 0 GCADMM O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165984 952757236 /nfs/dbraw/zinc/75/72/36/952757236.db2.gz JYANAEXZQCNLKV-JTQLQIEISA-N -1 1 380.416 0.443 20 0 GCADMM O=C(c1n[nH]c2c1CCC2)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165984 952757237 /nfs/dbraw/zinc/75/72/37/952757237.db2.gz JYANAEXZQCNLKV-JTQLQIEISA-N -1 1 380.416 0.443 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571166103 952758648 /nfs/dbraw/zinc/75/86/48/952758648.db2.gz NODXTRJWIOIOJT-YPMHNXCESA-N -1 1 380.416 0.188 20 0 GCADMM O=C(CCc1ccncn1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166383 952760682 /nfs/dbraw/zinc/76/06/82/952760682.db2.gz RFPAIHUQXZQREI-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1ccncn1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166383 952760685 /nfs/dbraw/zinc/76/06/85/952760685.db2.gz RFPAIHUQXZQREI-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2cncn2C1 ZINC001571166439 952762315 /nfs/dbraw/zinc/76/23/15/952762315.db2.gz ROZMGANPVXVNLR-IJLUTSLNSA-N -1 1 380.416 0.175 20 0 GCADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166540 952763049 /nfs/dbraw/zinc/76/30/49/952763049.db2.gz SWUWBSNMGXYGEI-WRWGMCAJSA-N -1 1 380.416 0.253 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571166599 952763080 /nfs/dbraw/zinc/76/30/80/952763080.db2.gz UDIRXLAVDUAVRN-JQWIXIFHSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571166599 952763084 /nfs/dbraw/zinc/76/30/84/952763084.db2.gz UDIRXLAVDUAVRN-JQWIXIFHSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ncncc1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571166584 952763250 /nfs/dbraw/zinc/76/32/50/952763250.db2.gz TZKSQHKCSYKRSU-GFCCVEGCSA-N -1 1 380.416 0.544 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166643 952763384 /nfs/dbraw/zinc/76/33/84/952763384.db2.gz UKJYMKMSFVCFJL-CYBMUJFWSA-N -1 1 380.416 0.444 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166643 952763389 /nfs/dbraw/zinc/76/33/89/952763389.db2.gz UKJYMKMSFVCFJL-CYBMUJFWSA-N -1 1 380.416 0.444 20 0 GCADMM Cn1ccc(C(=O)N[C@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571166840 952765419 /nfs/dbraw/zinc/76/54/19/952765419.db2.gz XRBAVUJRWNWDCC-DYVFJYSZSA-N -1 1 380.416 0.322 20 0 GCADMM Cn1ccc(C(=O)N[C@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571166840 952765422 /nfs/dbraw/zinc/76/54/22/952765422.db2.gz XRBAVUJRWNWDCC-DYVFJYSZSA-N -1 1 380.416 0.322 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166864 952766548 /nfs/dbraw/zinc/76/65/48/952766548.db2.gz YISVACHKAIVCOV-LLVKDONJSA-N -1 1 380.416 0.594 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166864 952766556 /nfs/dbraw/zinc/76/65/56/952766556.db2.gz YISVACHKAIVCOV-LLVKDONJSA-N -1 1 380.416 0.594 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571169946 952780199 /nfs/dbraw/zinc/78/01/99/952780199.db2.gz AGNGOQPCIFPEFB-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571169946 952780203 /nfs/dbraw/zinc/78/02/03/952780203.db2.gz AGNGOQPCIFPEFB-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571169950 952780514 /nfs/dbraw/zinc/78/05/14/952780514.db2.gz AHGMSVLSBHJNFB-PWSUYJOCSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571169950 952780517 /nfs/dbraw/zinc/78/05/17/952780517.db2.gz AHGMSVLSBHJNFB-PWSUYJOCSA-N -1 1 381.400 0.720 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571170216 952784969 /nfs/dbraw/zinc/78/49/69/952784969.db2.gz GGASVZNFZQNLCP-LLVKDONJSA-N -1 1 381.400 0.646 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571170216 952784973 /nfs/dbraw/zinc/78/49/73/952784973.db2.gz GGASVZNFZQNLCP-LLVKDONJSA-N -1 1 381.400 0.646 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571170231 952785096 /nfs/dbraw/zinc/78/50/96/952785096.db2.gz GMZLXOZGSHUYMQ-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571170231 952785098 /nfs/dbraw/zinc/78/50/98/952785098.db2.gz GMZLXOZGSHUYMQ-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571170735 952788019 /nfs/dbraw/zinc/78/80/19/952788019.db2.gz LDFAXJKKOJLZPZ-GHMZBOCLSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571170735 952788021 /nfs/dbraw/zinc/78/80/21/952788021.db2.gz LDFAXJKKOJLZPZ-GHMZBOCLSA-N -1 1 381.400 0.720 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001571171078 952790302 /nfs/dbraw/zinc/79/03/02/952790302.db2.gz NLPCEQOFMXVDDL-NSHDSACASA-N -1 1 381.400 0.402 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001571171078 952790305 /nfs/dbraw/zinc/79/03/05/952790305.db2.gz NLPCEQOFMXVDDL-NSHDSACASA-N -1 1 381.400 0.402 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nn[nH]n2)cn1 ZINC001571171045 952790476 /nfs/dbraw/zinc/79/04/76/952790476.db2.gz MLUCFEBIIUUYNS-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571171056 952791052 /nfs/dbraw/zinc/79/10/52/952791052.db2.gz MPYYVBQMORIDBH-QWRGUYRKSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571171056 952791057 /nfs/dbraw/zinc/79/10/57/952791057.db2.gz MPYYVBQMORIDBH-QWRGUYRKSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171655 952796106 /nfs/dbraw/zinc/79/61/06/952796106.db2.gz VBUOZBKWHBFANW-MNOVXSKESA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571171655 952796112 /nfs/dbraw/zinc/79/61/12/952796112.db2.gz VBUOZBKWHBFANW-MNOVXSKESA-N -1 1 381.400 0.720 20 0 GCADMM Cc1cccc2c1CCC[C@H]2NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571171660 952796142 /nfs/dbraw/zinc/79/61/42/952796142.db2.gz VHKAAYUXPRVNQP-CQSZACIVSA-N -1 1 381.396 0.631 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571171747 952796988 /nfs/dbraw/zinc/79/69/88/952796988.db2.gz FUPWIZSPIOEXGU-LURJTMIESA-N -1 1 380.825 0.730 20 0 GCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001571171852 952798196 /nfs/dbraw/zinc/79/81/96/952798196.db2.gz YIXGGCIRGSOEGG-GFCCVEGCSA-N -1 1 381.371 0.865 20 0 GCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001571171852 952798202 /nfs/dbraw/zinc/79/82/02/952798202.db2.gz YIXGGCIRGSOEGG-GFCCVEGCSA-N -1 1 381.371 0.865 20 0 GCADMM Cn1nncc1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571171940 952799179 /nfs/dbraw/zinc/79/91/79/952799179.db2.gz JBEVFYJZOBKLMI-OLQVQODUSA-N -1 1 380.825 0.478 20 0 GCADMM Cn1nncc1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571171940 952799183 /nfs/dbraw/zinc/79/91/83/952799183.db2.gz JBEVFYJZOBKLMI-OLQVQODUSA-N -1 1 380.825 0.478 20 0 GCADMM Cc1nn(C)c(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1Br ZINC001571171976 952800006 /nfs/dbraw/zinc/80/00/06/952800006.db2.gz KBKOHAMNMKWCDR-LURJTMIESA-N -1 1 381.198 0.462 20 0 GCADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571172574 952808524 /nfs/dbraw/zinc/80/85/24/952808524.db2.gz XOVAPVJIAXNIHN-WMKFIOFKSA-N -1 1 380.456 0.774 20 0 GCADMM O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571172564 952808913 /nfs/dbraw/zinc/80/89/13/952808913.db2.gz XJKTUBLAIXPMDK-AIEDFZFUSA-N -1 1 380.456 0.988 20 0 GCADMM O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571172564 952808918 /nfs/dbraw/zinc/80/89/18/952808918.db2.gz XJKTUBLAIXPMDK-AIEDFZFUSA-N -1 1 380.456 0.988 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571174565 952809729 /nfs/dbraw/zinc/80/97/29/952809729.db2.gz ALGQKLLNPKVXAY-GFCCVEGCSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571174565 952809732 /nfs/dbraw/zinc/80/97/32/952809732.db2.gz ALGQKLLNPKVXAY-GFCCVEGCSA-N -1 1 381.400 0.459 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)c4cnco4)CC[C@@H]32)n1 ZINC001571174591 952811543 /nfs/dbraw/zinc/81/15/43/952811543.db2.gz BEFCUJWGQUDHCP-YPMHNXCESA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)c4cnco4)CC[C@@H]32)n1 ZINC001571174591 952811549 /nfs/dbraw/zinc/81/15/49/952811549.db2.gz BEFCUJWGQUDHCP-YPMHNXCESA-N -1 1 381.400 0.694 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571174714 952812526 /nfs/dbraw/zinc/81/25/26/952812526.db2.gz GAGLPRGVADSOKT-GFCCVEGCSA-N -1 1 381.400 0.498 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571174714 952812533 /nfs/dbraw/zinc/81/25/33/952812533.db2.gz GAGLPRGVADSOKT-GFCCVEGCSA-N -1 1 381.400 0.498 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571174688 952812615 /nfs/dbraw/zinc/81/26/15/952812615.db2.gz FFNAHAHXKFRYKR-QWRGUYRKSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571174688 952812619 /nfs/dbraw/zinc/81/26/19/952812619.db2.gz FFNAHAHXKFRYKR-QWRGUYRKSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571174674 952812901 /nfs/dbraw/zinc/81/29/01/952812901.db2.gz DYOAZJXZDMCEST-UHFFFAOYSA-N -1 1 381.400 0.331 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571174674 952812905 /nfs/dbraw/zinc/81/29/05/952812905.db2.gz DYOAZJXZDMCEST-UHFFFAOYSA-N -1 1 381.400 0.331 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])c1ccc(-c2nn[nH]n2)nn1 ZINC001571174694 952812917 /nfs/dbraw/zinc/81/29/17/952812917.db2.gz FINBMTIEVPRUSY-NSHDSACASA-N -1 1 381.400 0.498 20 0 GCADMM COc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571174782 952814625 /nfs/dbraw/zinc/81/46/25/952814625.db2.gz IAVNGFAIVZMEIR-NSHDSACASA-N -1 1 381.400 0.377 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571174836 952815409 /nfs/dbraw/zinc/81/54/09/952815409.db2.gz JWLLVEWEHSDVNU-JQWIXIFHSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571174836 952815412 /nfs/dbraw/zinc/81/54/12/952815412.db2.gz JWLLVEWEHSDVNU-JQWIXIFHSA-N -1 1 381.400 0.775 20 0 GCADMM Cc1cc(=O)c(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571174870 952816097 /nfs/dbraw/zinc/81/60/97/952816097.db2.gz LCPQNHSANARDGW-NSHDSACASA-N -1 1 381.400 0.228 20 0 GCADMM Cc1cc(=O)c(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571174870 952816104 /nfs/dbraw/zinc/81/61/04/952816104.db2.gz LCPQNHSANARDGW-NSHDSACASA-N -1 1 381.400 0.228 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571175094 952817634 /nfs/dbraw/zinc/81/76/34/952817634.db2.gz PEJVGRQPKFMMBM-LLVKDONJSA-N -1 1 381.400 0.695 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571175094 952817640 /nfs/dbraw/zinc/81/76/40/952817640.db2.gz PEJVGRQPKFMMBM-LLVKDONJSA-N -1 1 381.400 0.695 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571175091 952818103 /nfs/dbraw/zinc/81/81/03/952818103.db2.gz PDKXXZRBFQQZGA-JQWIXIFHSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571175091 952818109 /nfs/dbraw/zinc/81/81/09/952818109.db2.gz PDKXXZRBFQQZGA-JQWIXIFHSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)n1 ZINC001571175110 952818296 /nfs/dbraw/zinc/81/82/96/952818296.db2.gz PPSPMFQNSWXLMP-MNOVXSKESA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)n1 ZINC001571175110 952818301 /nfs/dbraw/zinc/81/83/01/952818301.db2.gz PPSPMFQNSWXLMP-MNOVXSKESA-N -1 1 381.400 0.775 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571175090 952818354 /nfs/dbraw/zinc/81/83/54/952818354.db2.gz PDKXXZRBFQQZGA-CMPLNLGQSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571175090 952818360 /nfs/dbraw/zinc/81/83/60/952818360.db2.gz PDKXXZRBFQQZGA-CMPLNLGQSA-N -1 1 381.400 0.775 20 0 GCADMM Cc1cc(C2(C(=O)N[C@H]3C[C@H](Nc4ccc(-c5nnn[n-]5)nn4)C3)CC2)on1 ZINC001571175253 952818563 /nfs/dbraw/zinc/81/85/63/952818563.db2.gz QYSRFEOODKHAFW-XYPYZODXSA-N -1 1 381.400 0.744 20 0 GCADMM Cc1cc(C2(C(=O)N[C@H]3C[C@H](Nc4ccc(-c5nn[n-]n5)nn4)C3)CC2)on1 ZINC001571175253 952818568 /nfs/dbraw/zinc/81/85/68/952818568.db2.gz QYSRFEOODKHAFW-XYPYZODXSA-N -1 1 381.400 0.744 20 0 GCADMM COc1cccc(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001571175336 952819049 /nfs/dbraw/zinc/81/90/49/952819049.db2.gz SXJZWCBTWUYQRM-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccc(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001571175336 952819055 /nfs/dbraw/zinc/81/90/55/952819055.db2.gz SXJZWCBTWUYQRM-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571175263 952819174 /nfs/dbraw/zinc/81/91/74/952819174.db2.gz RGCFYKFFWSTYBG-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571175263 952819178 /nfs/dbraw/zinc/81/91/78/952819178.db2.gz RGCFYKFFWSTYBG-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1)c1ccon1 ZINC001571175349 952820971 /nfs/dbraw/zinc/82/09/71/952820971.db2.gz BDFGDHWHGXGNPS-GRYCIOLGSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001571175379 952821538 /nfs/dbraw/zinc/82/15/38/952821538.db2.gz BNKYHWIMOSCSKN-NSHDSACASA-N -1 1 381.400 0.404 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cc[nH]c(=O)c1 ZINC001571175379 952821543 /nfs/dbraw/zinc/82/15/43/952821543.db2.gz BNKYHWIMOSCSKN-NSHDSACASA-N -1 1 381.400 0.404 20 0 GCADMM COc1ncccc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571175615 952823584 /nfs/dbraw/zinc/82/35/84/952823584.db2.gz XFFXBWAXGXFVBH-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM COc1ncccc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571175615 952823590 /nfs/dbraw/zinc/82/35/90/952823590.db2.gz XFFXBWAXGXFVBH-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(=O)[nH]1 ZINC001571175606 952824101 /nfs/dbraw/zinc/82/41/01/952824101.db2.gz WXJROUJXKHRNQC-BXKDBHETSA-N -1 1 381.400 0.060 20 0 GCADMM COc1ccnc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571175645 952824258 /nfs/dbraw/zinc/82/42/58/952824258.db2.gz YHEFHMQTZSCUGX-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM COc1ccnc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571175645 952824259 /nfs/dbraw/zinc/82/42/59/952824259.db2.gz YHEFHMQTZSCUGX-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1)c1cnco1 ZINC001571175947 952827722 /nfs/dbraw/zinc/82/77/22/952827722.db2.gz JGXYDMYVVNVCPW-UHFFFAOYSA-N -1 1 381.400 0.824 20 0 GCADMM O=C(NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1)c1cnco1 ZINC001571175947 952827730 /nfs/dbraw/zinc/82/77/30/952827730.db2.gz JGXYDMYVVNVCPW-UHFFFAOYSA-N -1 1 381.400 0.824 20 0 GCADMM Cc1conc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571175965 952828513 /nfs/dbraw/zinc/82/85/13/952828513.db2.gz KBAQYZOHISCIGE-MNOVXSKESA-N -1 1 381.400 0.528 20 0 GCADMM Cc1ccncc1C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571176159 952829401 /nfs/dbraw/zinc/82/94/01/952829401.db2.gz MVGHPMREYOMXKZ-GFCCVEGCSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1ccncc1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571176159 952829407 /nfs/dbraw/zinc/82/94/07/952829407.db2.gz MVGHPMREYOMXKZ-GFCCVEGCSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1ncoc1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001571176504 952831508 /nfs/dbraw/zinc/83/15/08/952831508.db2.gz SBCTVZHSDYBUDQ-DIFFPNOSSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1ncoc1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001571176504 952831513 /nfs/dbraw/zinc/83/15/13/952831513.db2.gz SBCTVZHSDYBUDQ-DIFFPNOSSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1conc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571176581 952833514 /nfs/dbraw/zinc/83/35/14/952833514.db2.gz VGYXUMRPGOUIIU-NEPJUHHUSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1noc(C2CC2)c1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571176877 952835763 /nfs/dbraw/zinc/83/57/63/952835763.db2.gz YZIFPDJVEHXQJK-UHFFFAOYSA-N -1 1 381.400 0.793 20 0 GCADMM Cc1noc(C2CC2)c1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571176877 952835768 /nfs/dbraw/zinc/83/57/68/952835768.db2.gz YZIFPDJVEHXQJK-UHFFFAOYSA-N -1 1 381.400 0.793 20 0 GCADMM O=C(c1cc[nH]c(=O)c1)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178178 952835830 /nfs/dbraw/zinc/83/58/30/952835830.db2.gz AMMNUIKAQKPTJF-LLVKDONJSA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1cc[nH]c(=O)c1)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178178 952835834 /nfs/dbraw/zinc/83/58/34/952835834.db2.gz AMMNUIKAQKPTJF-LLVKDONJSA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001571178402 952840017 /nfs/dbraw/zinc/84/00/17/952840017.db2.gz HQBDUBFDUFKTMZ-GARJFASQSA-N -1 1 381.404 0.128 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001571178402 952840022 /nfs/dbraw/zinc/84/00/22/952840022.db2.gz HQBDUBFDUFKTMZ-GARJFASQSA-N -1 1 381.404 0.128 20 0 GCADMM O=C(c1ccon1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571178673 952844293 /nfs/dbraw/zinc/84/42/93/952844293.db2.gz QRMVIMREEMIDSS-YPMHNXCESA-N -1 1 381.400 0.776 20 0 GCADMM O=C(c1cnco1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001571178785 952848168 /nfs/dbraw/zinc/84/81/68/952848168.db2.gz UGDGFZDQZVLZED-SRVKXCTJSA-N -1 1 381.400 0.998 20 0 GCADMM O=C(c1cnco1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001571178785 952848177 /nfs/dbraw/zinc/84/81/77/952848177.db2.gz UGDGFZDQZVLZED-SRVKXCTJSA-N -1 1 381.400 0.998 20 0 GCADMM CCc1c(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)ccn1C ZINC001571184392 952892783 /nfs/dbraw/zinc/89/27/83/952892783.db2.gz YEGMOBYBPRGXNO-UHFFFAOYSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1c(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)ccn1C ZINC001571184392 952892791 /nfs/dbraw/zinc/89/27/91/952892791.db2.gz YEGMOBYBPRGXNO-UHFFFAOYSA-N -1 1 381.444 0.956 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571187713 952908754 /nfs/dbraw/zinc/90/87/54/952908754.db2.gz BBZGEMFUZCKGAI-ZDUSSCGKSA-N -1 1 381.444 0.902 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571187713 952908763 /nfs/dbraw/zinc/90/87/63/952908763.db2.gz BBZGEMFUZCKGAI-ZDUSSCGKSA-N -1 1 381.444 0.902 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571187710 952909037 /nfs/dbraw/zinc/90/90/37/952909037.db2.gz BBZGEMFUZCKGAI-CYBMUJFWSA-N -1 1 381.444 0.902 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571187710 952909042 /nfs/dbraw/zinc/90/90/42/952909042.db2.gz BBZGEMFUZCKGAI-CYBMUJFWSA-N -1 1 381.444 0.902 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc[nH]c1=O ZINC001571193768 952951841 /nfs/dbraw/zinc/95/18/41/952951841.db2.gz BVKHUAQJZFDCEL-VHSXEESVSA-N -1 1 382.388 0.258 20 0 GCADMM COc1ncc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571193738 952951863 /nfs/dbraw/zinc/95/18/63/952951863.db2.gz AUKRCCSONSCOTH-GXSJLCMTSA-N -1 1 382.388 0.028 20 0 GCADMM COc1ncc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571193738 952951865 /nfs/dbraw/zinc/95/18/65/952951865.db2.gz AUKRCCSONSCOTH-GXSJLCMTSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)ncn1 ZINC001571193906 952954887 /nfs/dbraw/zinc/95/48/87/952954887.db2.gz GMSCSKPGGFZGCZ-ZJUUUORDSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)ncn1 ZINC001571193906 952954889 /nfs/dbraw/zinc/95/48/89/952954889.db2.gz GMSCSKPGGFZGCZ-ZJUUUORDSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)ncn1 ZINC001571194336 952961073 /nfs/dbraw/zinc/96/10/73/952961073.db2.gz MHCUUNQYWNPENA-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)ncn1 ZINC001571194336 952961078 /nfs/dbraw/zinc/96/10/78/952961078.db2.gz MHCUUNQYWNPENA-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccc2c(c1)CC(=O)N2C ZINC001571194539 952964563 /nfs/dbraw/zinc/96/45/63/952964563.db2.gz ORBHTFQOTBSJOX-MRVPVSSYSA-N -1 1 382.384 0.358 20 0 GCADMM O=C(c1cnon1)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001571194558 952964991 /nfs/dbraw/zinc/96/49/91/952964991.db2.gz OLUPHWGYOITTSJ-GWCFXTLKSA-N -1 1 382.388 0.171 20 0 GCADMM O=C(c1cnon1)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571194558 952964995 /nfs/dbraw/zinc/96/49/95/952964995.db2.gz OLUPHWGYOITTSJ-GWCFXTLKSA-N -1 1 382.388 0.171 20 0 GCADMM O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571194611 952965851 /nfs/dbraw/zinc/96/58/51/952965851.db2.gz QEBRFPXUJCGRLX-SNVBAGLBSA-N -1 1 382.388 0.117 20 0 GCADMM O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571194611 952965857 /nfs/dbraw/zinc/96/58/57/952965857.db2.gz QEBRFPXUJCGRLX-SNVBAGLBSA-N -1 1 382.388 0.117 20 0 GCADMM O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(=O)[nH]n1 ZINC001571194949 952971661 /nfs/dbraw/zinc/97/16/61/952971661.db2.gz VDNNMIPNJAGPEQ-NXEZZACHSA-N -1 1 382.388 0.163 20 0 GCADMM O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(=O)[nH]n1 ZINC001571194949 952971663 /nfs/dbraw/zinc/97/16/63/952971663.db2.gz VDNNMIPNJAGPEQ-NXEZZACHSA-N -1 1 382.388 0.163 20 0 GCADMM O=C(CC(F)(F)F)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571195115 952973316 /nfs/dbraw/zinc/97/33/16/952973316.db2.gz ZIHZSGCSMNMIFA-ZJUUUORDSA-N -1 1 382.350 0.894 20 0 GCADMM O=C(NC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1)c1cnon1 ZINC001571195152 952974624 /nfs/dbraw/zinc/97/46/24/952974624.db2.gz YFVYJIDIUBCSOQ-UHFFFAOYSA-N -1 1 382.388 0.219 20 0 GCADMM O=C(N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnc[nH]c1=O ZINC001571195172 952975400 /nfs/dbraw/zinc/97/54/00/952975400.db2.gz YRPFYRAFVYZCQR-ZJUUUORDSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnc[nH]c1=O ZINC001571195172 952975407 /nfs/dbraw/zinc/97/54/07/952975407.db2.gz YRPFYRAFVYZCQR-ZJUUUORDSA-N -1 1 382.388 0.305 20 0 GCADMM Cc1ccc(F)c(CC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571196923 952984416 /nfs/dbraw/zinc/98/44/16/952984416.db2.gz PYXFKNHBEFUCBH-BETUJISGSA-N -1 1 382.403 0.828 20 0 GCADMM O=C([C@H](F)Cc1ccccc1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571197445 952991111 /nfs/dbraw/zinc/99/11/11/952991111.db2.gz ZZRLCCZLDMJAGN-UONOGXRCSA-N -1 1 382.403 0.672 20 0 GCADMM Cc1ccoc1CC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571200851 953013076 /nfs/dbraw/zinc/01/30/76/953013076.db2.gz GYTMVAZOXQRBKV-QWHCGFSZSA-N -1 1 382.428 0.920 20 0 GCADMM COc1cc(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)c(OC)c2)sn1 ZINC001571202432 953025519 /nfs/dbraw/zinc/02/55/19/953025519.db2.gz WRUUFIDBCXEUKP-UHFFFAOYSA-N -1 1 382.427 0.819 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)cn2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571204543 953029710 /nfs/dbraw/zinc/02/97/10/953029710.db2.gz ASICNQTYCDFNKE-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)cn2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571204543 953029716 /nfs/dbraw/zinc/02/97/16/953029716.db2.gz ASICNQTYCDFNKE-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn(C)cn2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571204541 953030382 /nfs/dbraw/zinc/03/03/82/953030382.db2.gz ASICNQTYCDFNKE-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn(C)cn2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571204541 953030387 /nfs/dbraw/zinc/03/03/87/953030387.db2.gz ASICNQTYCDFNKE-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCn1cccn1 ZINC001571204666 953031287 /nfs/dbraw/zinc/03/12/87/953031287.db2.gz CEFVAGZZZAFTFU-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCn1cccn1 ZINC001571204666 953031291 /nfs/dbraw/zinc/03/12/91/953031291.db2.gz CEFVAGZZZAFTFU-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM O=C([C@@H]1C[C@]12CCOC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571204636 953031710 /nfs/dbraw/zinc/03/17/10/953031710.db2.gz ATDNQYUOXZSMEF-YFQWEKLQSA-N -1 1 382.428 0.263 20 0 GCADMM O=C([C@@H]1C[C@]12CCOC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571204636 953031711 /nfs/dbraw/zinc/03/17/11/953031711.db2.gz ATDNQYUOXZSMEF-YFQWEKLQSA-N -1 1 382.428 0.263 20 0 GCADMM CC(C)n1ccc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571204697 953032212 /nfs/dbraw/zinc/03/22/12/953032212.db2.gz CCJNQQTXCQSLSA-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnn(C)c2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571204860 953033247 /nfs/dbraw/zinc/03/32/47/953033247.db2.gz DFSLSFZLTJZJGY-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnn(C)c2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571204860 953033250 /nfs/dbraw/zinc/03/32/50/953033250.db2.gz DFSLSFZLTJZJGY-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571204922 953033667 /nfs/dbraw/zinc/03/36/67/953033667.db2.gz FVOCJLPBKGOVBR-NSHDSACASA-N -1 1 382.432 0.683 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571204922 953033672 /nfs/dbraw/zinc/03/36/72/953033672.db2.gz FVOCJLPBKGOVBR-NSHDSACASA-N -1 1 382.432 0.683 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)c3cn(C)cn3)C2)n1 ZINC001571204919 953033911 /nfs/dbraw/zinc/03/39/11/953033911.db2.gz FULWHVZUQQDTJW-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)c3cn(C)cn3)C2)n1 ZINC001571204919 953033917 /nfs/dbraw/zinc/03/39/17/953033917.db2.gz FULWHVZUQQDTJW-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571204931 953034016 /nfs/dbraw/zinc/03/40/16/953034016.db2.gz DKZRXHLJSHTAEL-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571204931 953034018 /nfs/dbraw/zinc/03/40/18/953034018.db2.gz DKZRXHLJSHTAEL-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CCc1c[nH]c(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571204858 953034130 /nfs/dbraw/zinc/03/41/30/953034130.db2.gz DFPZHJULVWWGDS-PWSUYJOCSA-N -1 1 382.432 0.268 20 0 GCADMM CC(C)c1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571204947 953034380 /nfs/dbraw/zinc/03/43/80/953034380.db2.gz DONHQPOWAAIQGG-LLVKDONJSA-N -1 1 382.432 0.262 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@]12C[C@H]1COC2 ZINC001571205033 953034673 /nfs/dbraw/zinc/03/46/73/953034673.db2.gz FSMCALCVBGAKBO-FNFWKMNBSA-N -1 1 382.428 0.168 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@]12C[C@H]1COC2 ZINC001571205033 953034676 /nfs/dbraw/zinc/03/46/76/953034676.db2.gz FSMCALCVBGAKBO-FNFWKMNBSA-N -1 1 382.428 0.168 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571205124 953035930 /nfs/dbraw/zinc/03/59/30/953035930.db2.gz FVVAJCITNOCQIJ-GXFFZTMASA-N -1 1 382.432 0.525 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571205124 953035935 /nfs/dbraw/zinc/03/59/35/953035935.db2.gz FVVAJCITNOCQIJ-GXFFZTMASA-N -1 1 382.432 0.525 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n(C)n1 ZINC001571205127 953036145 /nfs/dbraw/zinc/03/61/45/953036145.db2.gz FWXVQDFBKRYUDM-UMSPYCQHSA-N -1 1 382.432 0.573 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n(C)n1 ZINC001571205127 953036149 /nfs/dbraw/zinc/03/61/49/953036149.db2.gz FWXVQDFBKRYUDM-UMSPYCQHSA-N -1 1 382.432 0.573 20 0 GCADMM CCCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571205137 953036358 /nfs/dbraw/zinc/03/63/58/953036358.db2.gz FZQNMQMJRZKSON-QMTHXVAHSA-N -1 1 382.432 0.905 20 0 GCADMM CCCn1nccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205162 953036381 /nfs/dbraw/zinc/03/63/81/953036381.db2.gz GTYKXOYJZZGTOO-GFCCVEGCSA-N -1 1 382.432 0.980 20 0 GCADMM CCCn1nccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205162 953036386 /nfs/dbraw/zinc/03/63/86/953036386.db2.gz GTYKXOYJZZGTOO-GFCCVEGCSA-N -1 1 382.432 0.980 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571205388 953038229 /nfs/dbraw/zinc/03/82/29/953038229.db2.gz IUIRCDPYZNDNDP-LBPRGKRZSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571205388 953038233 /nfs/dbraw/zinc/03/82/33/953038233.db2.gz IUIRCDPYZNDNDP-LBPRGKRZSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001571205431 953038360 /nfs/dbraw/zinc/03/83/60/953038360.db2.gz IBXQQHKJBFDNMQ-VXGBXAGGSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001571205431 953038363 /nfs/dbraw/zinc/03/83/63/953038363.db2.gz IBXQQHKJBFDNMQ-VXGBXAGGSA-N -1 1 382.432 0.743 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571205465 953038701 /nfs/dbraw/zinc/03/87/01/953038701.db2.gz JLQSLVSRKHIQPS-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571205493 953039514 /nfs/dbraw/zinc/03/95/14/953039514.db2.gz KCPBYNHZOSVMME-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571205493 953039516 /nfs/dbraw/zinc/03/95/16/953039516.db2.gz KCPBYNHZOSVMME-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001571205511 953039540 /nfs/dbraw/zinc/03/95/40/953039540.db2.gz KSWICDUNJAICMI-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001571205511 953039541 /nfs/dbraw/zinc/03/95/41/953039541.db2.gz KSWICDUNJAICMI-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM CC[C@H]1CN(C(=O)c2n[nH]cc2C)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571205600 953039851 /nfs/dbraw/zinc/03/98/51/953039851.db2.gz LMSFJLSKHPZLSC-RYUDHWBXSA-N -1 1 382.432 0.463 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001571205594 953040169 /nfs/dbraw/zinc/04/01/69/953040169.db2.gz JWJRPWQAYPJDIU-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001571205594 953040172 /nfs/dbraw/zinc/04/01/72/953040172.db2.gz JWJRPWQAYPJDIU-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM Cc1c(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cnn1C ZINC001571205743 953041228 /nfs/dbraw/zinc/04/12/28/953041228.db2.gz AEGQENDYMVZLNX-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1c(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cnn1C ZINC001571205743 953041232 /nfs/dbraw/zinc/04/12/32/953041232.db2.gz AEGQENDYMVZLNX-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001571205703 953041278 /nfs/dbraw/zinc/04/12/78/953041278.db2.gz KWNHFXUVZTZFDQ-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001571205703 953041283 /nfs/dbraw/zinc/04/12/83/953041283.db2.gz KWNHFXUVZTZFDQ-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205832 953042886 /nfs/dbraw/zinc/04/28/86/953042886.db2.gz BQOGBFGKOFNBCG-GXFFZTMASA-N -1 1 382.432 0.754 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205832 953042890 /nfs/dbraw/zinc/04/28/90/953042890.db2.gz BQOGBFGKOFNBCG-GXFFZTMASA-N -1 1 382.432 0.754 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)n1 ZINC001571205787 953042927 /nfs/dbraw/zinc/04/29/27/953042927.db2.gz ARUNDLHUQSXDMZ-YPMHNXCESA-N -1 1 382.432 0.517 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)n1 ZINC001571205787 953042929 /nfs/dbraw/zinc/04/29/29/953042929.db2.gz ARUNDLHUQSXDMZ-YPMHNXCESA-N -1 1 382.432 0.517 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205901 953043452 /nfs/dbraw/zinc/04/34/52/953043452.db2.gz NWPWXCUZVRZEDS-RYUDHWBXSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1ccnc1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205845 953044057 /nfs/dbraw/zinc/04/40/57/953044057.db2.gz CBKLNOGFNXITLN-GFCCVEGCSA-N -1 1 382.432 0.980 20 0 GCADMM CCn1ccnc1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205845 953044061 /nfs/dbraw/zinc/04/40/61/953044061.db2.gz CBKLNOGFNXITLN-GFCCVEGCSA-N -1 1 382.432 0.980 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@@](C)(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205854 953044155 /nfs/dbraw/zinc/04/41/55/953044155.db2.gz CDFVCCYLHFDNJR-KRWDZBQOSA-N -1 1 382.432 0.961 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571205968 953044515 /nfs/dbraw/zinc/04/45/15/953044515.db2.gz PHAVBDHTTAVECI-GFCCVEGCSA-N -1 1 382.432 0.756 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571205968 953044519 /nfs/dbraw/zinc/04/45/19/953044519.db2.gz PHAVBDHTTAVECI-GFCCVEGCSA-N -1 1 382.432 0.756 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205986 953044795 /nfs/dbraw/zinc/04/47/95/953044795.db2.gz QEPCWDOWESCWRP-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM CCCc1cc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571205927 953045046 /nfs/dbraw/zinc/04/50/46/953045046.db2.gz OMDBSXBCUOFTIL-UHFFFAOYSA-N -1 1 382.432 0.953 20 0 GCADMM CCCc1cc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571205927 953045049 /nfs/dbraw/zinc/04/50/49/953045049.db2.gz OMDBSXBCUOFTIL-UHFFFAOYSA-N -1 1 382.432 0.953 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205954 953045106 /nfs/dbraw/zinc/04/51/06/953045106.db2.gz OWZNROIAUYURST-SMDDNHRTSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205954 953045109 /nfs/dbraw/zinc/04/51/09/953045109.db2.gz OWZNROIAUYURST-SMDDNHRTSA-N -1 1 382.432 0.282 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571205945 953045344 /nfs/dbraw/zinc/04/53/44/953045344.db2.gz OWHWCXVANIJSRO-LLVKDONJSA-N -1 1 382.432 0.527 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571205945 953045349 /nfs/dbraw/zinc/04/53/49/953045349.db2.gz OWHWCXVANIJSRO-LLVKDONJSA-N -1 1 382.432 0.527 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)c2ccn(C)n2)n1 ZINC001571206068 953046092 /nfs/dbraw/zinc/04/60/92/953046092.db2.gz CXHMQYIKMBMVHB-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)c2ccn(C)n2)n1 ZINC001571206068 953046093 /nfs/dbraw/zinc/04/60/93/953046093.db2.gz CXHMQYIKMBMVHB-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206151 953047194 /nfs/dbraw/zinc/04/71/94/953047194.db2.gz RWXVDWIWPFNMRC-NSHDSACASA-N -1 1 382.432 0.907 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206151 953047197 /nfs/dbraw/zinc/04/71/97/953047197.db2.gz RWXVDWIWPFNMRC-NSHDSACASA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001571206087 953047393 /nfs/dbraw/zinc/04/73/93/953047393.db2.gz RQXRFKFAAXKETB-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001571206087 953047396 /nfs/dbraw/zinc/04/73/96/953047396.db2.gz RQXRFKFAAXKETB-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM CC[C@@H]1CN(C(=O)c2c[nH]c(C)n2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571206181 953048087 /nfs/dbraw/zinc/04/80/87/953048087.db2.gz RZWIXEFHTZQION-VXGBXAGGSA-N -1 1 382.432 0.463 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3cnn(C)c3)CC[C@H]2C)n1 ZINC001571206179 953048250 /nfs/dbraw/zinc/04/82/50/953048250.db2.gz DTBOBCBPEBWFLT-DGCLKSJQSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3cnn(C)c3)CC[C@H]2C)n1 ZINC001571206179 953048252 /nfs/dbraw/zinc/04/82/52/953048252.db2.gz DTBOBCBPEBWFLT-DGCLKSJQSA-N -1 1 382.432 0.486 20 0 GCADMM CCc1nc(NC[C@@H]2CCC[C@H]2NC(=O)c2cn[nH]c2)cc(-c2nnn[n-]2)n1 ZINC001571206259 953048745 /nfs/dbraw/zinc/04/87/45/953048745.db2.gz SSHPUQVCPHMZBN-CMPLNLGQSA-N -1 1 382.432 0.953 20 0 GCADMM CCc1nc(NC[C@@H]2CCC[C@H]2NC(=O)c2cn[nH]c2)cc(-c2nn[n-]n2)n1 ZINC001571206259 953048749 /nfs/dbraw/zinc/04/87/49/953048749.db2.gz SSHPUQVCPHMZBN-CMPLNLGQSA-N -1 1 382.432 0.953 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206255 953049098 /nfs/dbraw/zinc/04/90/98/953049098.db2.gz SQCSFRJFMLDHBY-PWSUYJOCSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cnn(CC)c3)C2)n1 ZINC001571206237 953049139 /nfs/dbraw/zinc/04/91/39/953049139.db2.gz SMTOMRJUCLXPLO-LBPRGKRZSA-N -1 1 382.432 0.444 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cnn(CC)c3)C2)n1 ZINC001571206237 953049142 /nfs/dbraw/zinc/04/91/42/953049142.db2.gz SMTOMRJUCLXPLO-LBPRGKRZSA-N -1 1 382.432 0.444 20 0 GCADMM CCn1nccc1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571206291 953049363 /nfs/dbraw/zinc/04/93/63/953049363.db2.gz FKPXGSDWEOGNCD-UHFFFAOYSA-N -1 1 382.432 0.614 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001571206349 953050313 /nfs/dbraw/zinc/05/03/13/953050313.db2.gz OPWPZBOOBSCSCF-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001571206349 953050314 /nfs/dbraw/zinc/05/03/14/953050314.db2.gz OPWPZBOOBSCSCF-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206313 953050385 /nfs/dbraw/zinc/05/03/85/953050385.db2.gz SWYUUOKXRAFUQP-KRWDZBQOSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206313 953050386 /nfs/dbraw/zinc/05/03/86/953050386.db2.gz SWYUUOKXRAFUQP-KRWDZBQOSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571206460 953050775 /nfs/dbraw/zinc/05/07/75/953050775.db2.gz UWZAYCFPUJNGPL-GHMZBOCLSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571206460 953050780 /nfs/dbraw/zinc/05/07/80/953050780.db2.gz UWZAYCFPUJNGPL-GHMZBOCLSA-N -1 1 382.432 0.762 20 0 GCADMM CCN(C(=O)c1cc(C)nn1C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206443 953050966 /nfs/dbraw/zinc/05/09/66/953050966.db2.gz UQTXGWYQIYWLLY-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001571206439 953051175 /nfs/dbraw/zinc/05/11/75/953051175.db2.gz GXHZKLPNJCLDAH-UHFFFAOYSA-N -1 1 382.432 0.371 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H](C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571206401 953051225 /nfs/dbraw/zinc/05/12/25/953051225.db2.gz GKUMEUBSXMMJNG-LLVKDONJSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H](C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571206401 953051229 /nfs/dbraw/zinc/05/12/29/953051229.db2.gz GKUMEUBSXMMJNG-LLVKDONJSA-N -1 1 382.432 0.723 20 0 GCADMM CCn1ccc(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571206506 953052128 /nfs/dbraw/zinc/05/21/28/953052128.db2.gz HPBCILSYEDAPNQ-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1ccc(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571206506 953052132 /nfs/dbraw/zinc/05/21/32/953052132.db2.gz HPBCILSYEDAPNQ-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM CCCn1nccc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206547 953052193 /nfs/dbraw/zinc/05/21/93/953052193.db2.gz VHABKVGEQZZOSG-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCCn1nccc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206547 953052194 /nfs/dbraw/zinc/05/21/94/953052194.db2.gz VHABKVGEQZZOSG-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ccnn2C)CC1 ZINC001571206494 953052206 /nfs/dbraw/zinc/05/22/06/953052206.db2.gz UZPGTVUKVFBADU-UHFFFAOYSA-N -1 1 382.432 0.887 20 0 GCADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ccnn2C)CC1 ZINC001571206494 953052208 /nfs/dbraw/zinc/05/22/08/953052208.db2.gz UZPGTVUKVFBADU-UHFFFAOYSA-N -1 1 382.432 0.887 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C)[nH]n1 ZINC001571206514 953052244 /nfs/dbraw/zinc/05/22/44/953052244.db2.gz VCQLHJJGRXGFRF-JQWIXIFHSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C)[nH]n1 ZINC001571206514 953052246 /nfs/dbraw/zinc/05/22/46/953052246.db2.gz VCQLHJJGRXGFRF-JQWIXIFHSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cnn(C)c3)[C@H]2C)n1 ZINC001571206562 953052771 /nfs/dbraw/zinc/05/27/71/953052771.db2.gz VJQWJBVBPILGAR-PWSUYJOCSA-N -1 1 382.432 0.350 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cnn(C)c3)[C@H]2C)n1 ZINC001571206562 953052774 /nfs/dbraw/zinc/05/27/74/953052774.db2.gz VJQWJBVBPILGAR-PWSUYJOCSA-N -1 1 382.432 0.350 20 0 GCADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206563 953053148 /nfs/dbraw/zinc/05/31/48/953053148.db2.gz QZHSXEVUJCNFHE-JYXMKJBCSA-N -1 1 382.428 0.483 20 0 GCADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206563 953053150 /nfs/dbraw/zinc/05/31/50/953053150.db2.gz QZHSXEVUJCNFHE-JYXMKJBCSA-N -1 1 382.428 0.483 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccn(C)n2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571206648 953053643 /nfs/dbraw/zinc/05/36/43/953053643.db2.gz VVRIFNNUHWJUML-NWDGAFQWSA-N -1 1 382.432 0.743 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccn(C)n2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571206648 953053646 /nfs/dbraw/zinc/05/36/46/953053646.db2.gz VVRIFNNUHWJUML-NWDGAFQWSA-N -1 1 382.432 0.743 20 0 GCADMM CCn1nccc1C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206687 953054339 /nfs/dbraw/zinc/05/43/39/953054339.db2.gz JDOSUKMNOZVSGY-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1nccc1C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206687 953054344 /nfs/dbraw/zinc/05/43/44/953054344.db2.gz JDOSUKMNOZVSGY-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccn(C)n2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571206647 953054353 /nfs/dbraw/zinc/05/43/53/953054353.db2.gz VVRIFNNUHWJUML-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccn(C)n2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571206647 953054357 /nfs/dbraw/zinc/05/43/57/953054357.db2.gz VVRIFNNUHWJUML-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)c1C ZINC001571206706 953054366 /nfs/dbraw/zinc/05/43/66/953054366.db2.gz JPYVQTUQSAABGH-JOYOIKCWSA-N -1 1 382.432 0.784 20 0 GCADMM CCn1ncc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)c1C ZINC001571206831 953055833 /nfs/dbraw/zinc/05/58/33/953055833.db2.gz LCPAATJMHMKETL-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ncc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)c1C ZINC001571206831 953055840 /nfs/dbraw/zinc/05/58/40/953055840.db2.gz LCPAATJMHMKETL-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n(C)n1 ZINC001571206812 953055994 /nfs/dbraw/zinc/05/59/94/953055994.db2.gz XOYMXTBCLGGIBD-LBPRGKRZSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n(C)n1 ZINC001571206812 953055996 /nfs/dbraw/zinc/05/59/96/953055996.db2.gz XOYMXTBCLGGIBD-LBPRGKRZSA-N -1 1 382.432 0.351 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571206817 953056331 /nfs/dbraw/zinc/05/63/31/953056331.db2.gz KYEHFMPHRCSJSV-CMPLNLGQSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571206817 953056334 /nfs/dbraw/zinc/05/63/34/953056334.db2.gz KYEHFMPHRCSJSV-CMPLNLGQSA-N -1 1 382.432 0.580 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206988 953057951 /nfs/dbraw/zinc/05/79/51/953057951.db2.gz YZQZYCWJCFNRAE-JSGCOSHPSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571207008 953058070 /nfs/dbraw/zinc/05/80/70/953058070.db2.gz LLPNZIDWTPWVBT-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571207008 953058073 /nfs/dbraw/zinc/05/80/73/953058073.db2.gz LLPNZIDWTPWVBT-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CCc1c[nH]c(CC(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)n1 ZINC001571206995 953058521 /nfs/dbraw/zinc/05/85/21/953058521.db2.gz ZBUVFBAMDGKEFJ-GWCFXTLKSA-N -1 1 382.432 0.444 20 0 GCADMM CCn1ccc(CC(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207123 953059862 /nfs/dbraw/zinc/05/98/62/953059862.db2.gz NJPXGQVTSOHCPK-CYBMUJFWSA-N -1 1 382.432 0.119 20 0 GCADMM CCn1ccc(CC(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207123 953059865 /nfs/dbraw/zinc/05/98/65/953059865.db2.gz NJPXGQVTSOHCPK-CYBMUJFWSA-N -1 1 382.432 0.119 20 0 GCADMM CCn1ccc(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571207165 953060182 /nfs/dbraw/zinc/06/01/82/953060182.db2.gz OCCQJDOTNFAXJX-UHFFFAOYSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1ccc(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571207165 953060185 /nfs/dbraw/zinc/06/01/85/953060185.db2.gz OCCQJDOTNFAXJX-UHFFFAOYSA-N -1 1 382.432 0.520 20 0 GCADMM Cc1ncc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571207242 953061408 /nfs/dbraw/zinc/06/14/08/953061408.db2.gz OYNJYDMKJNWLGT-LBPRGKRZSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1ncc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571207242 953061410 /nfs/dbraw/zinc/06/14/10/953061410.db2.gz OYNJYDMKJNWLGT-LBPRGKRZSA-N -1 1 382.432 0.263 20 0 GCADMM C[C@H](NC(=O)c1cncn1C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571207302 953061996 /nfs/dbraw/zinc/06/19/96/953061996.db2.gz QBGPPVYOHUWHEU-NSHDSACASA-N -1 1 382.432 0.425 20 0 GCADMM C[C@H](NC(=O)c1cncn1C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571207302 953061998 /nfs/dbraw/zinc/06/19/98/953061998.db2.gz QBGPPVYOHUWHEU-NSHDSACASA-N -1 1 382.432 0.425 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571207432 953062814 /nfs/dbraw/zinc/06/28/14/953062814.db2.gz RNYKXCOWEWRUSI-BXUZGUMPSA-N -1 1 382.432 0.375 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571207432 953062816 /nfs/dbraw/zinc/06/28/16/953062816.db2.gz RNYKXCOWEWRUSI-BXUZGUMPSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571207429 953062873 /nfs/dbraw/zinc/06/28/73/953062873.db2.gz RMIUDZGLHKSOJP-MNOVXSKESA-N -1 1 382.432 0.441 20 0 GCADMM CCn1ccnc1C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571207482 953063313 /nfs/dbraw/zinc/06/33/13/953063313.db2.gz UAWRFKBNFLOQLG-GFCCVEGCSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ccnc1C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571207482 953063315 /nfs/dbraw/zinc/06/33/15/953063315.db2.gz UAWRFKBNFLOQLG-GFCCVEGCSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)n1 ZINC001571207433 953063579 /nfs/dbraw/zinc/06/35/79/953063579.db2.gz RNYKXCOWEWRUSI-FZMZJTMJSA-N -1 1 382.432 0.375 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)n1 ZINC001571207433 953063583 /nfs/dbraw/zinc/06/35/83/953063583.db2.gz RNYKXCOWEWRUSI-FZMZJTMJSA-N -1 1 382.432 0.375 20 0 GCADMM Cc1c(CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)cnn1C ZINC001571207457 953063933 /nfs/dbraw/zinc/06/39/33/953063933.db2.gz SALOLQTZSWGHFW-GWCFXTLKSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1c(CC(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)cnn1C ZINC001571207457 953063936 /nfs/dbraw/zinc/06/39/36/953063936.db2.gz SALOLQTZSWGHFW-GWCFXTLKSA-N -1 1 382.432 0.343 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571207434 953063952 /nfs/dbraw/zinc/06/39/52/953063952.db2.gz RNYKXCOWEWRUSI-RISCZKNCSA-N -1 1 382.432 0.375 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571207434 953063954 /nfs/dbraw/zinc/06/39/54/953063954.db2.gz RNYKXCOWEWRUSI-RISCZKNCSA-N -1 1 382.432 0.375 20 0 GCADMM CCn1ncc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1C ZINC001571207544 953064246 /nfs/dbraw/zinc/06/42/46/953064246.db2.gz WASVXZNIXFUDKR-UHFFFAOYSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ncc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1C ZINC001571207544 953064250 /nfs/dbraw/zinc/06/42/50/953064250.db2.gz WASVXZNIXFUDKR-UHFFFAOYSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ccc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571207540 953064541 /nfs/dbraw/zinc/06/45/41/953064541.db2.gz VZMKEPMRQVVBNE-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1ccc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571207540 953064542 /nfs/dbraw/zinc/06/45/42/953064542.db2.gz VZMKEPMRQVVBNE-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)c1C ZINC001571207528 953064747 /nfs/dbraw/zinc/06/47/47/953064747.db2.gz VRCAIZQDTKJCDK-GFCCVEGCSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)c1C ZINC001571207528 953064752 /nfs/dbraw/zinc/06/47/52/953064752.db2.gz VRCAIZQDTKJCDK-GFCCVEGCSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C)n1 ZINC001571207647 953064981 /nfs/dbraw/zinc/06/49/81/953064981.db2.gz ZABLDWSWIFUSGB-QMTHXVAHSA-N -1 1 382.432 0.200 20 0 GCADMM CCn1cc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c(C)n1 ZINC001571207623 953065194 /nfs/dbraw/zinc/06/51/94/953065194.db2.gz YEZHMMCSHQHOSB-HAQNSBGRSA-N -1 1 382.432 0.224 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207678 953066283 /nfs/dbraw/zinc/06/62/83/953066283.db2.gz ZRKMTGWHFZMSLT-OLZOCXBDSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207678 953066286 /nfs/dbraw/zinc/06/62/86/953066286.db2.gz ZRKMTGWHFZMSLT-OLZOCXBDSA-N -1 1 382.432 0.592 20 0 GCADMM O=C(CCn1ccnc1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571209721 953066850 /nfs/dbraw/zinc/06/68/50/953066850.db2.gz BSFINMHAEDNWMX-CYBMUJFWSA-N -1 1 382.432 0.737 20 0 GCADMM O=C(CCn1ccnc1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571209721 953066852 /nfs/dbraw/zinc/06/68/52/953066852.db2.gz BSFINMHAEDNWMX-CYBMUJFWSA-N -1 1 382.432 0.737 20 0 GCADMM O=C(Cn1ccnc1)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571209922 953068515 /nfs/dbraw/zinc/06/85/15/953068515.db2.gz ISXPKPLMDYOIAT-ZDUSSCGKSA-N -1 1 382.432 0.594 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571209968 953069321 /nfs/dbraw/zinc/06/93/21/953069321.db2.gz KFCWOPZKTPMPDS-CYBMUJFWSA-N -1 1 382.432 0.663 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571209968 953069322 /nfs/dbraw/zinc/06/93/22/953069322.db2.gz KFCWOPZKTPMPDS-CYBMUJFWSA-N -1 1 382.432 0.663 20 0 GCADMM Cn1nccc1CCC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571210751 953073867 /nfs/dbraw/zinc/07/38/67/953073867.db2.gz WHABLRNBRCMQNK-ZDUSSCGKSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1nccc1CCC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571210751 953073872 /nfs/dbraw/zinc/07/38/72/953073872.db2.gz WHABLRNBRCMQNK-ZDUSSCGKSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001571211450 953076219 /nfs/dbraw/zinc/07/62/19/953076219.db2.gz AYZFDIVAISIFKD-AULYBMBSSA-N -1 1 382.432 0.791 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001571211450 953076221 /nfs/dbraw/zinc/07/62/21/953076221.db2.gz AYZFDIVAISIFKD-AULYBMBSSA-N -1 1 382.432 0.791 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1C(C)C ZINC001571211437 953076457 /nfs/dbraw/zinc/07/64/57/953076457.db2.gz AREVSJJMXLAZQC-HAQNSBGRSA-N -1 1 382.432 0.537 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571211449 953076656 /nfs/dbraw/zinc/07/66/56/953076656.db2.gz AVCTWQPJDOLMBG-LBPRGKRZSA-N -1 1 382.432 0.297 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571211449 953076658 /nfs/dbraw/zinc/07/66/58/953076658.db2.gz AVCTWQPJDOLMBG-LBPRGKRZSA-N -1 1 382.432 0.297 20 0 GCADMM Cn1cncc1CC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571211481 953077206 /nfs/dbraw/zinc/07/72/06/953077206.db2.gz BPJDDSPOBHGPDR-NEPJUHHUSA-N -1 1 382.432 0.330 20 0 GCADMM Cn1cncc1CC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571211481 953077211 /nfs/dbraw/zinc/07/72/11/953077211.db2.gz BPJDDSPOBHGPDR-NEPJUHHUSA-N -1 1 382.432 0.330 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211683 953079404 /nfs/dbraw/zinc/07/94/04/953079404.db2.gz FOITVHVXQFBDSQ-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211683 953079408 /nfs/dbraw/zinc/07/94/08/953079408.db2.gz FOITVHVXQFBDSQ-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1nn(C)cc1CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211631 953079543 /nfs/dbraw/zinc/07/95/43/953079543.db2.gz DCISMBKDZFQIAZ-CYBMUJFWSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571211646 953079720 /nfs/dbraw/zinc/07/97/20/953079720.db2.gz DVKXOJKUSJBRHH-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571211646 953079723 /nfs/dbraw/zinc/07/97/23/953079723.db2.gz DVKXOJKUSJBRHH-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM Cn1ccc(CCC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)n1 ZINC001571211821 953081083 /nfs/dbraw/zinc/08/10/83/953081083.db2.gz GPAWWQUKPQFAKU-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccc(CCC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)n1 ZINC001571211821 953081088 /nfs/dbraw/zinc/08/10/88/953081088.db2.gz GPAWWQUKPQFAKU-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1cc(C(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)n(C)n1 ZINC001571211845 953082140 /nfs/dbraw/zinc/08/21/40/953082140.db2.gz HGDYWOOBKORROM-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cc(C(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)n(C)n1 ZINC001571211845 953082143 /nfs/dbraw/zinc/08/21/43/953082143.db2.gz HGDYWOOBKORROM-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)n1C ZINC001571211948 953082644 /nfs/dbraw/zinc/08/26/44/953082644.db2.gz IWGKFZOEJXMWJY-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)n1C ZINC001571211948 953082648 /nfs/dbraw/zinc/08/26/48/953082648.db2.gz IWGKFZOEJXMWJY-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571212174 953085337 /nfs/dbraw/zinc/08/53/37/953085337.db2.gz KJWRRJCXFRBTDS-PWSUYJOCSA-N -1 1 382.432 0.722 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571212174 953085344 /nfs/dbraw/zinc/08/53/44/953085344.db2.gz KJWRRJCXFRBTDS-PWSUYJOCSA-N -1 1 382.432 0.722 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571212146 953085496 /nfs/dbraw/zinc/08/54/96/953085496.db2.gz JXIBTVXAVXGSFZ-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571212146 953085500 /nfs/dbraw/zinc/08/55/00/953085500.db2.gz JXIBTVXAVXGSFZ-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1nc(C(=O)N2CCCC[C@@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571212313 953086667 /nfs/dbraw/zinc/08/66/67/953086667.db2.gz LLDDGINFQLATPZ-GFCCVEGCSA-N -1 1 382.432 0.819 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n(C)n1 ZINC001571212357 953086845 /nfs/dbraw/zinc/08/68/45/953086845.db2.gz MIIOATISCOFTCY-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n(C)n1 ZINC001571212357 953086850 /nfs/dbraw/zinc/08/68/50/953086850.db2.gz MIIOATISCOFTCY-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571212339 953086873 /nfs/dbraw/zinc/08/68/73/953086873.db2.gz MALJKMAHGDLNGF-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571212339 953086877 /nfs/dbraw/zinc/08/68/77/953086877.db2.gz MALJKMAHGDLNGF-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571212384 953088002 /nfs/dbraw/zinc/08/80/02/953088002.db2.gz NDVWOAKTVMSJLZ-LBPRGKRZSA-N -1 1 382.432 0.867 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571212403 953088406 /nfs/dbraw/zinc/08/84/06/953088406.db2.gz NWEMXPUKWUHGPY-LBPRGKRZSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571212403 953088411 /nfs/dbraw/zinc/08/84/11/953088411.db2.gz NWEMXPUKWUHGPY-LBPRGKRZSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212682 953089159 /nfs/dbraw/zinc/08/91/59/953089159.db2.gz OEHDWAQOJCOJRS-GFCCVEGCSA-N -1 1 382.432 0.064 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212735 953090105 /nfs/dbraw/zinc/09/01/05/953090105.db2.gz OQFZJXFXRNLTAV-PWSUYJOCSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212735 953090107 /nfs/dbraw/zinc/09/01/07/953090107.db2.gz OQFZJXFXRNLTAV-PWSUYJOCSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001571212781 953090685 /nfs/dbraw/zinc/09/06/85/953090685.db2.gz PBBMUVOVQOHLED-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001571212781 953090688 /nfs/dbraw/zinc/09/06/88/953090688.db2.gz PBBMUVOVQOHLED-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001571212779 953090772 /nfs/dbraw/zinc/09/07/72/953090772.db2.gz PBBMUVOVQOHLED-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001571212779 953090775 /nfs/dbraw/zinc/09/07/75/953090775.db2.gz PBBMUVOVQOHLED-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cnn(CCC(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571213124 953092331 /nfs/dbraw/zinc/09/23/31/953092331.db2.gz QXAGFOVJZAYDDD-UHFFFAOYSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1cnn(CCC(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571213124 953092333 /nfs/dbraw/zinc/09/23/33/953092333.db2.gz QXAGFOVJZAYDDD-UHFFFAOYSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)n1C ZINC001571213416 953094758 /nfs/dbraw/zinc/09/47/58/953094758.db2.gz SGIGMSHLCNGHAX-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)n1C ZINC001571213416 953094764 /nfs/dbraw/zinc/09/47/64/953094764.db2.gz SGIGMSHLCNGHAX-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)n1C ZINC001571213825 953097445 /nfs/dbraw/zinc/09/74/45/953097445.db2.gz WYYJQWLNCAGXLQ-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1ncc(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)n1C ZINC001571213825 953097451 /nfs/dbraw/zinc/09/74/51/953097451.db2.gz WYYJQWLNCAGXLQ-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571213772 953097495 /nfs/dbraw/zinc/09/74/95/953097495.db2.gz VPDFSSJGTAMCLR-BXKDBHETSA-N -1 1 382.432 0.235 20 0 GCADMM Cc1cnn(CC(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571213784 953097647 /nfs/dbraw/zinc/09/76/47/953097647.db2.gz VSCMEZZSYQZOEN-STQMWFEESA-N -1 1 382.432 0.559 20 0 GCADMM Cc1cnn(CC(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571213784 953097650 /nfs/dbraw/zinc/09/76/50/953097650.db2.gz VSCMEZZSYQZOEN-STQMWFEESA-N -1 1 382.432 0.559 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571213816 953097668 /nfs/dbraw/zinc/09/76/68/953097668.db2.gz WWRUFYSWWNWJHI-CYBMUJFWSA-N -1 1 382.432 0.431 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571213816 953097669 /nfs/dbraw/zinc/09/76/69/953097669.db2.gz WWRUFYSWWNWJHI-CYBMUJFWSA-N -1 1 382.432 0.431 20 0 GCADMM Cc1cnn(CC(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571213780 953097756 /nfs/dbraw/zinc/09/77/56/953097756.db2.gz VSCMEZZSYQZOEN-CHWSQXEVSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1cnn(CC(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571213780 953097757 /nfs/dbraw/zinc/09/77/57/953097757.db2.gz VSCMEZZSYQZOEN-CHWSQXEVSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571213776 953097890 /nfs/dbraw/zinc/09/78/90/953097890.db2.gz VPDFSSJGTAMCLR-CABZTGNLSA-N -1 1 382.432 0.235 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571214121 953099813 /nfs/dbraw/zinc/09/98/13/953099813.db2.gz YJIMYSYCJLWCLX-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571214121 953099821 /nfs/dbraw/zinc/09/98/21/953099821.db2.gz YJIMYSYCJLWCLX-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)n(C)n1 ZINC001571214223 953100442 /nfs/dbraw/zinc/10/04/42/953100442.db2.gz ZLFKHHHTDJETQX-QGZVFWFLSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cc(C(=O)N2CC[C@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)n(C)n1 ZINC001571214223 953100445 /nfs/dbraw/zinc/10/04/45/953100445.db2.gz ZLFKHHHTDJETQX-QGZVFWFLSA-N -1 1 382.432 0.663 20 0 GCADMM COC(=O)Nc1ccc(CNC(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001571216847 953104232 /nfs/dbraw/zinc/10/42/32/953104232.db2.gz AVOVLYOOZYEXIV-UHFFFAOYSA-N -1 1 383.368 0.523 20 0 GCADMM CC1(C)CN(C(=O)c2cncc(F)c2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571217949 953112068 /nfs/dbraw/zinc/11/20/68/953112068.db2.gz SSDGLEBNJBYLTJ-LBPRGKRZSA-N -1 1 383.391 0.575 20 0 GCADMM O=C(Cc1ccc(F)cn1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571219182 953123538 /nfs/dbraw/zinc/12/35/38/953123538.db2.gz LKXSXAULXNPBSE-UHFFFAOYSA-N -1 1 383.391 0.836 20 0 GCADMM O=C(Cc1ccc(F)cn1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571219182 953123540 /nfs/dbraw/zinc/12/35/40/953123540.db2.gz LKXSXAULXNPBSE-UHFFFAOYSA-N -1 1 383.391 0.836 20 0 GCADMM O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cncc(F)c1 ZINC001571219172 953123772 /nfs/dbraw/zinc/12/37/72/953123772.db2.gz LBOUGSSENYZZNQ-MFKMUULPSA-N -1 1 383.391 0.623 20 0 GCADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1coc(C(N)=O)c1 ZINC001571219336 953125231 /nfs/dbraw/zinc/12/52/31/953125231.db2.gz XOFQGWQHTIGXBL-WPRPVWTQSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1coc(C(N)=O)c1 ZINC001571219336 953125234 /nfs/dbraw/zinc/12/52/34/953125234.db2.gz XOFQGWQHTIGXBL-WPRPVWTQSA-N -1 1 383.372 0.064 20 0 GCADMM O=C(NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cn1 ZINC001571219920 953127409 /nfs/dbraw/zinc/12/74/09/953127409.db2.gz SXOIEGCGIGYYRI-LBPRGKRZSA-N -1 1 383.391 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571222109 953131330 /nfs/dbraw/zinc/13/13/30/953131330.db2.gz CLZLQUKTRVHSOG-AAEUAGOBSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571222109 953131334 /nfs/dbraw/zinc/13/13/34/953131334.db2.gz CLZLQUKTRVHSOG-AAEUAGOBSA-N -1 1 383.416 0.784 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](NC(=O)c3ccon3)CC[C@@H]2C)n1 ZINC001571222166 953131757 /nfs/dbraw/zinc/13/17/57/953131757.db2.gz DJFNVEXXBCPQFU-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](NC(=O)c3ccon3)CC[C@@H]2C)n1 ZINC001571222166 953131759 /nfs/dbraw/zinc/13/17/59/953131759.db2.gz DJFNVEXXBCPQFU-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CC[C@H]1CN(C(=O)c2ncoc2C)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571222171 953131833 /nfs/dbraw/zinc/13/18/33/953131833.db2.gz DNKSHWFIJQJEAK-RYUDHWBXSA-N -1 1 383.416 0.728 20 0 GCADMM CCCc1nc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571222372 953133848 /nfs/dbraw/zinc/13/38/48/953133848.db2.gz GXRGUBJFGJRKHP-XYPYZODXSA-N -1 1 383.416 0.640 20 0 GCADMM CCc1nc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571222410 953133958 /nfs/dbraw/zinc/13/39/58/953133958.db2.gz HYGHJCAZYHIMAW-GXSJLCMTSA-N -1 1 383.416 0.510 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222427 953135068 /nfs/dbraw/zinc/13/50/68/953135068.db2.gz FEMMHZMGIXNZNT-YPMHNXCESA-N -1 1 383.416 0.348 20 0 GCADMM CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571222661 953136957 /nfs/dbraw/zinc/13/69/57/953136957.db2.gz KQWTUFFQTHTKAB-ZYHUDNBSSA-N -1 1 383.416 0.763 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)c2ccn(C)c2)CCO1 ZINC001571222916 953140425 /nfs/dbraw/zinc/14/04/25/953140425.db2.gz NPICNUKCOPWVCX-BXUZGUMPSA-N -1 1 383.416 0.337 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2ccn(C)c2)CCO1 ZINC001571222916 953140426 /nfs/dbraw/zinc/14/04/26/953140426.db2.gz NPICNUKCOPWVCX-BXUZGUMPSA-N -1 1 383.416 0.337 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)c3oncc3C)CC2)n1 ZINC001571223121 953141224 /nfs/dbraw/zinc/14/12/24/953141224.db2.gz NUUWEVMIGXGXDK-UHFFFAOYSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)c3oncc3C)CC2)n1 ZINC001571223121 953141226 /nfs/dbraw/zinc/14/12/26/953141226.db2.gz NUUWEVMIGXGXDK-UHFFFAOYSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1ncoc1C(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571223048 953141534 /nfs/dbraw/zinc/14/15/34/953141534.db2.gz PNSSWHIHCMEILY-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CCc1ncoc1C(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571223048 953141537 /nfs/dbraw/zinc/14/15/37/953141537.db2.gz PNSSWHIHCMEILY-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CCc1nc(C)c(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571223070 953141809 /nfs/dbraw/zinc/14/18/09/953141809.db2.gz PZWXRHYJINUHKA-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM CCc1nc(C)c(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571223070 953141810 /nfs/dbraw/zinc/14/18/10/953141810.db2.gz PZWXRHYJINUHKA-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM Cc1[nH]ccc1C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001571223270 953143240 /nfs/dbraw/zinc/14/32/40/953143240.db2.gz SCANCXXBPKNJSX-GFCCVEGCSA-N -1 1 383.416 0.319 20 0 GCADMM Cc1[nH]ccc1C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001571223270 953143241 /nfs/dbraw/zinc/14/32/41/953143241.db2.gz SCANCXXBPKNJSX-GFCCVEGCSA-N -1 1 383.416 0.319 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571223473 953144480 /nfs/dbraw/zinc/14/44/80/953144480.db2.gz RHFBWPCKYSIDGK-NEPJUHHUSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571223473 953144482 /nfs/dbraw/zinc/14/44/82/953144482.db2.gz RHFBWPCKYSIDGK-NEPJUHHUSA-N -1 1 383.416 0.784 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)c3conc3C)C2)n1 ZINC001571223422 953144642 /nfs/dbraw/zinc/14/46/42/953144642.db2.gz RBPMASDLOKPPOM-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)c3conc3C)C2)n1 ZINC001571223422 953144645 /nfs/dbraw/zinc/14/46/45/953144645.db2.gz RBPMASDLOKPPOM-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571223608 953146065 /nfs/dbraw/zinc/14/60/65/953146065.db2.gz XAYAWCMPKWVLPS-ZYHUDNBSSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571223608 953146067 /nfs/dbraw/zinc/14/60/67/953146067.db2.gz XAYAWCMPKWVLPS-ZYHUDNBSSA-N -1 1 383.416 0.994 20 0 GCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001571223617 953146393 /nfs/dbraw/zinc/14/63/93/953146393.db2.gz XRESSCXWAXIIEP-UHFFFAOYSA-N -1 1 383.416 0.650 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571223912 953147640 /nfs/dbraw/zinc/14/76/40/953147640.db2.gz ZYJPXJCAVCKEIO-GFCCVEGCSA-N -1 1 383.416 0.852 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571223912 953147644 /nfs/dbraw/zinc/14/76/44/953147644.db2.gz ZYJPXJCAVCKEIO-GFCCVEGCSA-N -1 1 383.416 0.852 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](CNC(=O)c3cnco3)C2)n1 ZINC001571224085 953148468 /nfs/dbraw/zinc/14/84/68/953148468.db2.gz XWPPSTOCPPSCMF-NSHDSACASA-N -1 1 383.416 0.854 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](CNC(=O)c3cnco3)C2)n1 ZINC001571224085 953148472 /nfs/dbraw/zinc/14/84/72/953148472.db2.gz XWPPSTOCPPSCMF-NSHDSACASA-N -1 1 383.416 0.854 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571224120 953149292 /nfs/dbraw/zinc/14/92/92/953149292.db2.gz YNWOIZAGLPJHNP-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571224120 953149296 /nfs/dbraw/zinc/14/92/96/953149296.db2.gz YNWOIZAGLPJHNP-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM Cc1cc(CC(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)no1 ZINC001571224679 953150852 /nfs/dbraw/zinc/15/08/52/953150852.db2.gz CQJYPBTUPJNAMO-UHFFFAOYSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(CC(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)no1 ZINC001571224679 953150854 /nfs/dbraw/zinc/15/08/54/953150854.db2.gz CQJYPBTUPJNAMO-UHFFFAOYSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1conc1C(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571224696 953150860 /nfs/dbraw/zinc/15/08/60/953150860.db2.gz DELVYFUFHWXZCK-GFCCVEGCSA-N -1 1 383.416 0.872 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)o1 ZINC001571224965 953151984 /nfs/dbraw/zinc/15/19/84/953151984.db2.gz HOYPYUXEEGQZBQ-GXFFZTMASA-N -1 1 383.416 0.845 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)o1 ZINC001571224965 953151985 /nfs/dbraw/zinc/15/19/85/953151985.db2.gz HOYPYUXEEGQZBQ-GXFFZTMASA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(C(=O)N2CCC(CN(C)c3ccc(-c4nnn[n-]4)nn3)CC2)on1 ZINC001571225584 953152916 /nfs/dbraw/zinc/15/29/16/953152916.db2.gz KQBSCJPSBDOCQD-UHFFFAOYSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1cc(C(=O)N2CCC(CN(C)c3ccc(-c4nn[n-]n4)nn3)CC2)on1 ZINC001571225584 953152917 /nfs/dbraw/zinc/15/29/17/953152917.db2.gz KQBSCJPSBDOCQD-UHFFFAOYSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1cc(CC(=O)N2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)no1 ZINC001571225603 953153660 /nfs/dbraw/zinc/15/36/60/953153660.db2.gz LEECDBXLBHFMCW-UHFFFAOYSA-N -1 1 383.416 0.543 20 0 GCADMM Cc1cc(CC(=O)N2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)no1 ZINC001571225603 953153662 /nfs/dbraw/zinc/15/36/62/953153662.db2.gz LEECDBXLBHFMCW-UHFFFAOYSA-N -1 1 383.416 0.543 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)no1 ZINC001571225899 953154221 /nfs/dbraw/zinc/15/42/21/953154221.db2.gz OBIXPXXPEWTNFL-YPMHNXCESA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)no1 ZINC001571225899 953154224 /nfs/dbraw/zinc/15/42/24/953154224.db2.gz OBIXPXXPEWTNFL-YPMHNXCESA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571226427 953155145 /nfs/dbraw/zinc/15/51/45/953155145.db2.gz QOCLKJODQBCUNG-ZDUSSCGKSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1cc(CC(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571226427 953155147 /nfs/dbraw/zinc/15/51/47/953155147.db2.gz QOCLKJODQBCUNG-ZDUSSCGKSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571226971 953157479 /nfs/dbraw/zinc/15/74/79/953157479.db2.gz YBOWCQHJPFMDLX-ZANVPECISA-N -1 1 383.416 0.763 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571226971 953157480 /nfs/dbraw/zinc/15/74/80/953157480.db2.gz YBOWCQHJPFMDLX-ZANVPECISA-N -1 1 383.416 0.763 20 0 GCADMM Cc1ncoc1C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571226929 953157515 /nfs/dbraw/zinc/15/75/15/953157515.db2.gz XDJUCMFYCFZIQR-JTQLQIEISA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ncoc1C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571226929 953157517 /nfs/dbraw/zinc/15/75/17/953157517.db2.gz XDJUCMFYCFZIQR-JTQLQIEISA-N -1 1 383.416 0.988 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571226969 953157859 /nfs/dbraw/zinc/15/78/59/953157859.db2.gz YBOWCQHJPFMDLX-RNCFNFMXSA-N -1 1 383.416 0.763 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571226969 953157860 /nfs/dbraw/zinc/15/78/60/953157860.db2.gz YBOWCQHJPFMDLX-RNCFNFMXSA-N -1 1 383.416 0.763 20 0 GCADMM Cc1nc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c(C)o1 ZINC001571227147 953158344 /nfs/dbraw/zinc/15/83/44/953158344.db2.gz ZRTBGTQLIGSQKO-BXKDBHETSA-N -1 1 383.416 0.764 20 0 GCADMM Cc1nc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c(C)o1 ZINC001571227147 953158346 /nfs/dbraw/zinc/15/83/46/953158346.db2.gz ZRTBGTQLIGSQKO-BXKDBHETSA-N -1 1 383.416 0.764 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227712 953158877 /nfs/dbraw/zinc/15/88/77/953158877.db2.gz AKWGWLAVCCBFNK-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227712 953158879 /nfs/dbraw/zinc/15/88/79/953158879.db2.gz AKWGWLAVCCBFNK-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227713 953159268 /nfs/dbraw/zinc/15/92/68/953159268.db2.gz AKWGWLAVCCBFNK-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227713 953159269 /nfs/dbraw/zinc/15/92/69/953159269.db2.gz AKWGWLAVCCBFNK-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)c1cnn(C)n1 ZINC001571227764 953159306 /nfs/dbraw/zinc/15/93/06/953159306.db2.gz BOSKHNZREPMGEU-GXFFZTMASA-N -1 1 383.420 0.281 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)c1cnn(C)n1 ZINC001571227764 953159307 /nfs/dbraw/zinc/15/93/07/953159307.db2.gz BOSKHNZREPMGEU-GXFFZTMASA-N -1 1 383.420 0.281 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CC[C@@H](C)N(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571227782 953159747 /nfs/dbraw/zinc/15/97/47/953159747.db2.gz BXJRWNMPPFSBLP-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CC[C@@H](C)N(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571227782 953159750 /nfs/dbraw/zinc/15/97/50/953159750.db2.gz BXJRWNMPPFSBLP-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM Cc1ocnc1C(=O)N[C@H](C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571227778 953160237 /nfs/dbraw/zinc/16/02/37/953160237.db2.gz BVIVOMZMDKZKAN-PWSUYJOCSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ocnc1C(=O)N[C@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571227778 953160240 /nfs/dbraw/zinc/16/02/40/953160240.db2.gz BVIVOMZMDKZKAN-PWSUYJOCSA-N -1 1 383.416 0.988 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001571228100 953161716 /nfs/dbraw/zinc/16/17/16/953161716.db2.gz IKEWJPJKIVRRAD-SNVBAGLBSA-N -1 1 383.420 0.057 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)c3cnnn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571228189 953162550 /nfs/dbraw/zinc/16/25/50/953162550.db2.gz KMOPFBOHRHCXHG-JTQLQIEISA-N -1 1 383.420 0.064 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)c3cnnn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571228189 953162552 /nfs/dbraw/zinc/16/25/52/953162552.db2.gz KMOPFBOHRHCXHG-JTQLQIEISA-N -1 1 383.420 0.064 20 0 GCADMM CCn1nncc1C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228240 953163210 /nfs/dbraw/zinc/16/32/10/953163210.db2.gz LOIDHBZHGJVUQN-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1nncc1C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228240 953163211 /nfs/dbraw/zinc/16/32/11/953163211.db2.gz LOIDHBZHGJVUQN-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571228296 953163869 /nfs/dbraw/zinc/16/38/69/953163869.db2.gz MXGKFTDJYYTGNU-SRVKXCTJSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571228296 953163871 /nfs/dbraw/zinc/16/38/71/953163871.db2.gz MXGKFTDJYYTGNU-SRVKXCTJSA-N -1 1 383.420 0.349 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571228547 953165094 /nfs/dbraw/zinc/16/50/94/953165094.db2.gz RFIZLQWBDSLOHY-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228547 953165099 /nfs/dbraw/zinc/16/50/99/953165099.db2.gz RFIZLQWBDSLOHY-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571228573 953165374 /nfs/dbraw/zinc/16/53/74/953165374.db2.gz SJRBCKBQFLEBDN-CHWSQXEVSA-N -1 1 383.416 0.974 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571228573 953165375 /nfs/dbraw/zinc/16/53/75/953165375.db2.gz SJRBCKBQFLEBDN-CHWSQXEVSA-N -1 1 383.416 0.974 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571228658 953165785 /nfs/dbraw/zinc/16/57/85/953165785.db2.gz VCNYRAJETBDFCX-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228658 953165787 /nfs/dbraw/zinc/16/57/87/953165787.db2.gz VCNYRAJETBDFCX-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571228663 953166124 /nfs/dbraw/zinc/16/61/24/953166124.db2.gz VERVJBPTWUAMDY-MWLCHTKSSA-N -1 1 383.420 0.149 20 0 GCADMM CCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571228663 953166126 /nfs/dbraw/zinc/16/61/26/953166126.db2.gz VERVJBPTWUAMDY-MWLCHTKSSA-N -1 1 383.420 0.149 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571229178 953168397 /nfs/dbraw/zinc/16/83/97/953168397.db2.gz AJPOLQWNCXXVLY-GXSJLCMTSA-N -1 1 383.420 0.294 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)c3ncn(C)n3)C2)n1 ZINC001571229339 953169166 /nfs/dbraw/zinc/16/91/66/953169166.db2.gz CJOYIIIJALLKHW-MRXNPFEDSA-N -1 1 383.420 0.058 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)c3ncn(C)n3)C2)n1 ZINC001571229339 953169169 /nfs/dbraw/zinc/16/91/69/953169169.db2.gz CJOYIIIJALLKHW-MRXNPFEDSA-N -1 1 383.420 0.058 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571229311 953169355 /nfs/dbraw/zinc/16/93/55/953169355.db2.gz CAXNLDXPOXEEIZ-NSHDSACASA-N -1 1 383.420 0.118 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571229311 953169359 /nfs/dbraw/zinc/16/93/59/953169359.db2.gz CAXNLDXPOXEEIZ-NSHDSACASA-N -1 1 383.420 0.118 20 0 GCADMM Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571229834 953172201 /nfs/dbraw/zinc/17/22/01/953172201.db2.gz OUDMQYRAEGFLAU-WDEREUQCSA-N -1 1 383.420 0.186 20 0 GCADMM Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571229834 953172203 /nfs/dbraw/zinc/17/22/03/953172203.db2.gz OUDMQYRAEGFLAU-WDEREUQCSA-N -1 1 383.420 0.186 20 0 GCADMM Cn1cnc(C(=O)N[C@H]2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571229832 953172287 /nfs/dbraw/zinc/17/22/87/953172287.db2.gz OUDMQYRAEGFLAU-MNOVXSKESA-N -1 1 383.420 0.186 20 0 GCADMM Cn1cnc(C(=O)N[C@H]2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571229832 953172288 /nfs/dbraw/zinc/17/22/88/953172288.db2.gz OUDMQYRAEGFLAU-MNOVXSKESA-N -1 1 383.420 0.186 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cnnn3C)[C@H](C)C2)n1 ZINC001571229769 953172300 /nfs/dbraw/zinc/17/23/00/953172300.db2.gz MRPVIZIQNAOKJO-GHMZBOCLSA-N -1 1 383.420 0.199 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cnnn3C)[C@H](C)C2)n1 ZINC001571229769 953172301 /nfs/dbraw/zinc/17/23/01/953172301.db2.gz MRPVIZIQNAOKJO-GHMZBOCLSA-N -1 1 383.420 0.199 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571230020 953173567 /nfs/dbraw/zinc/17/35/67/953173567.db2.gz QZFFQTHUHMUBQF-GXSJLCMTSA-N -1 1 383.420 0.436 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571230160 953174336 /nfs/dbraw/zinc/17/43/36/953174336.db2.gz SSTJHEJFRGTZRK-NSHDSACASA-N -1 1 383.420 0.580 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC[C@H](CNC(=O)c3ncn(C)n3)C2)n1 ZINC001571230141 953174606 /nfs/dbraw/zinc/17/46/06/953174606.db2.gz SGUOKCVGBXFCKU-WDEREUQCSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@H](CNC(=O)c3ncn(C)n3)C2)n1 ZINC001571230141 953174608 /nfs/dbraw/zinc/17/46/08/953174608.db2.gz SGUOKCVGBXFCKU-WDEREUQCSA-N -1 1 383.420 0.104 20 0 GCADMM O=C(Cc1nnc[nH]1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571230509 953177762 /nfs/dbraw/zinc/17/77/62/953177762.db2.gz XEDJFBLOCOFZPV-NSHDSACASA-N -1 1 383.420 0.201 20 0 GCADMM O=C(c1csc(C2CC2)n1)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571230497 953177789 /nfs/dbraw/zinc/17/77/89/953177789.db2.gz FKDYCYSFSABJTN-UHFFFAOYSA-N -1 1 383.441 0.953 20 0 GCADMM O=C(c1ccns1)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571230647 953178671 /nfs/dbraw/zinc/17/86/71/953178671.db2.gz HSAMSIYBQCDEQW-CMPLNLGQSA-N -1 1 383.441 0.854 20 0 GCADMM O=C(c1ccns1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571230647 953178673 /nfs/dbraw/zinc/17/86/73/953178673.db2.gz HSAMSIYBQCDEQW-CMPLNLGQSA-N -1 1 383.441 0.854 20 0 GCADMM Cc1c(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nnn1C(C)C ZINC001571230618 953178870 /nfs/dbraw/zinc/17/88/70/953178870.db2.gz YUWLRPJDFNQFKH-UHFFFAOYSA-N -1 1 383.420 0.100 20 0 GCADMM Cc1c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nnn1C(C)C ZINC001571230618 953178874 /nfs/dbraw/zinc/17/88/74/953178874.db2.gz YUWLRPJDFNQFKH-UHFFFAOYSA-N -1 1 383.420 0.100 20 0 GCADMM O=C(c1ccsn1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571230935 953181732 /nfs/dbraw/zinc/18/17/32/953181732.db2.gz NPQPIMUQQJKPKZ-CMPLNLGQSA-N -1 1 383.441 0.854 20 0 GCADMM O=C(c1scnc1C1CC1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571231103 953183359 /nfs/dbraw/zinc/18/33/59/953183359.db2.gz SFNZWLIMHAIEOM-SNVBAGLBSA-N -1 1 383.441 0.739 20 0 GCADMM COc1cccc(F)c1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571234956 953206859 /nfs/dbraw/zinc/20/68/59/953206859.db2.gz NTRWQUTVBLTKOS-SNVBAGLBSA-N -1 1 384.375 0.813 20 0 GCADMM COc1cccc(F)c1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571234956 953206862 /nfs/dbraw/zinc/20/68/62/953206862.db2.gz NTRWQUTVBLTKOS-SNVBAGLBSA-N -1 1 384.375 0.813 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccc1F ZINC001571235208 953210349 /nfs/dbraw/zinc/21/03/49/953210349.db2.gz XAWYNWDERFNDHU-LLVKDONJSA-N -1 1 384.375 0.813 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]2O)CC1 ZINC001571235301 953211478 /nfs/dbraw/zinc/21/14/78/953211478.db2.gz ZOZNWIQUDGERFY-JGVFFNPUSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]2O)CC1 ZINC001571235301 953211479 /nfs/dbraw/zinc/21/14/79/953211479.db2.gz ZOZNWIQUDGERFY-JGVFFNPUSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(COc1ccccc1F)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571235405 953212094 /nfs/dbraw/zinc/21/20/94/953212094.db2.gz CQPRLGNURBWYLE-NSHDSACASA-N -1 1 384.375 0.310 20 0 GCADMM COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571235412 953212477 /nfs/dbraw/zinc/21/24/77/953212477.db2.gz CVAMNQWXTHHULQ-AAEUAGOBSA-N -1 1 384.400 0.310 20 0 GCADMM C[C@H](C(=O)NCc1ccc(C2(C)OCCO2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001571235683 953214524 /nfs/dbraw/zinc/21/45/24/953214524.db2.gz NECXNPCVZWBUDC-LLVKDONJSA-N -1 1 384.400 0.555 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2CNC(=O)c2ccoc2)n1 ZINC001571236361 953217278 /nfs/dbraw/zinc/21/72/78/953217278.db2.gz XLWUNLUXWMWMGP-LBPRGKRZSA-N -1 1 384.400 0.447 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2CNC(=O)c2ccoc2)n1 ZINC001571236361 953217280 /nfs/dbraw/zinc/21/72/80/953217280.db2.gz XLWUNLUXWMWMGP-LBPRGKRZSA-N -1 1 384.400 0.447 20 0 GCADMM CCOc1cc(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)[nH]n1 ZINC001571236620 953217880 /nfs/dbraw/zinc/21/78/80/953217880.db2.gz ABSVYQXWAYATGE-UHFFFAOYSA-N -1 1 384.404 0.495 20 0 GCADMM CCOc1cc(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)[nH]n1 ZINC001571236620 953217885 /nfs/dbraw/zinc/21/78/85/953217885.db2.gz ABSVYQXWAYATGE-UHFFFAOYSA-N -1 1 384.404 0.495 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571236624 953217927 /nfs/dbraw/zinc/21/79/27/953217927.db2.gz AFSYENPTWAUZOC-GFCCVEGCSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571236624 953217929 /nfs/dbraw/zinc/21/79/29/953217929.db2.gz AFSYENPTWAUZOC-GFCCVEGCSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571236626 953218046 /nfs/dbraw/zinc/21/80/46/953218046.db2.gz AFSYENPTWAUZOC-LBPRGKRZSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571236626 953218049 /nfs/dbraw/zinc/21/80/49/953218049.db2.gz AFSYENPTWAUZOC-LBPRGKRZSA-N -1 1 384.400 0.502 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001571236683 953218254 /nfs/dbraw/zinc/21/82/54/953218254.db2.gz BFULCECFTLASFR-ZJUUUORDSA-N -1 1 384.404 0.201 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001571236683 953218255 /nfs/dbraw/zinc/21/82/55/953218255.db2.gz BFULCECFTLASFR-ZJUUUORDSA-N -1 1 384.404 0.201 20 0 GCADMM Cc1cccc(F)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001571236411 953218261 /nfs/dbraw/zinc/21/82/61/953218261.db2.gz ZEYRMLKKMHMKBZ-NEPJUHHUSA-N -1 1 384.375 0.084 20 0 GCADMM Cc1cccc(F)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001571236411 953218262 /nfs/dbraw/zinc/21/82/62/953218262.db2.gz ZEYRMLKKMHMKBZ-NEPJUHHUSA-N -1 1 384.375 0.084 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCO[C@H](c2cnn(C)c2)C1 ZINC001571236927 953218859 /nfs/dbraw/zinc/21/88/59/953218859.db2.gz CYUHIEOBMWWOJO-AAEUAGOBSA-N -1 1 384.400 0.659 20 0 GCADMM COc1ccc(C(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571236718 953219044 /nfs/dbraw/zinc/21/90/44/953219044.db2.gz CDAMZVWGUURNDR-UHFFFAOYSA-N -1 1 384.400 0.999 20 0 GCADMM COc1ccc(C(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571236718 953219046 /nfs/dbraw/zinc/21/90/46/953219046.db2.gz CDAMZVWGUURNDR-UHFFFAOYSA-N -1 1 384.400 0.999 20 0 GCADMM O=C(c1ccoc1)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571237323 953220329 /nfs/dbraw/zinc/22/03/29/953220329.db2.gz HLGRXDHDAKRIPU-ZDUSSCGKSA-N -1 1 384.400 0.353 20 0 GCADMM Cc1coc(C)c1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571237145 953220593 /nfs/dbraw/zinc/22/05/93/953220593.db2.gz FRFXYMKCQTWUCE-LBPRGKRZSA-N -1 1 384.400 0.820 20 0 GCADMM Cc1coc(C)c1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571237145 953220596 /nfs/dbraw/zinc/22/05/96/953220596.db2.gz FRFXYMKCQTWUCE-LBPRGKRZSA-N -1 1 384.400 0.820 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cnon3)[C@H]2CC)n1 ZINC001571237480 953221410 /nfs/dbraw/zinc/22/14/10/953221410.db2.gz ITHOHIRNHYTHMM-JOYOIKCWSA-N -1 1 384.404 0.389 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cnon3)[C@H]2CC)n1 ZINC001571237480 953221411 /nfs/dbraw/zinc/22/14/11/953221411.db2.gz ITHOHIRNHYTHMM-JOYOIKCWSA-N -1 1 384.404 0.389 20 0 GCADMM Cc1occc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237515 953222029 /nfs/dbraw/zinc/22/20/29/953222029.db2.gz JLSGNPLRYDJAIX-YGRLFVJLSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1occc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237515 953222031 /nfs/dbraw/zinc/22/20/31/953222031.db2.gz JLSGNPLRYDJAIX-YGRLFVJLSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1coc(C)c1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571237656 953222183 /nfs/dbraw/zinc/22/21/83/953222183.db2.gz KUGTXTZKODDRPT-OLZOCXBDSA-N -1 1 384.400 0.154 20 0 GCADMM Cc1coc(C)c1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571237656 953222184 /nfs/dbraw/zinc/22/21/84/953222184.db2.gz KUGTXTZKODDRPT-OLZOCXBDSA-N -1 1 384.400 0.154 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnon2)CC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571237926 953223834 /nfs/dbraw/zinc/22/38/34/953223834.db2.gz OIVIVKLSCINIOC-GHMZBOCLSA-N -1 1 384.404 0.701 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnon2)CC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571237926 953223837 /nfs/dbraw/zinc/22/38/37/953223837.db2.gz OIVIVKLSCINIOC-GHMZBOCLSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)o1 ZINC001571238091 953225543 /nfs/dbraw/zinc/22/55/43/953225543.db2.gz TWWYGTLIJQZGIU-YPMHNXCESA-N -1 1 384.400 0.236 20 0 GCADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)o1 ZINC001571238091 953225544 /nfs/dbraw/zinc/22/55/44/953225544.db2.gz TWWYGTLIJQZGIU-YPMHNXCESA-N -1 1 384.400 0.236 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571238161 953226283 /nfs/dbraw/zinc/22/62/83/953226283.db2.gz VQUGFGLQKRGXKZ-UWVGGRQHSA-N -1 1 384.404 0.059 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571238163 953226460 /nfs/dbraw/zinc/22/64/60/953226460.db2.gz VQUGFGLQKRGXKZ-ZJUUUORDSA-N -1 1 384.404 0.059 20 0 GCADMM Cc1occc1C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571238159 953226678 /nfs/dbraw/zinc/22/66/78/953226678.db2.gz VQQCYUVIXVRSED-UHFFFAOYSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1occc1C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571238159 953226679 /nfs/dbraw/zinc/22/66/79/953226679.db2.gz VQQCYUVIXVRSED-UHFFFAOYSA-N -1 1 384.400 0.637 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]c1=O ZINC001571238378 953228029 /nfs/dbraw/zinc/22/80/29/953228029.db2.gz AVYJBUBIHDEYDJ-ZJUUUORDSA-N -1 1 384.404 0.106 20 0 GCADMM Cc1nonc1CC(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238456 953228826 /nfs/dbraw/zinc/22/88/26/953228826.db2.gz DEAMPCGQOOCASV-QWRGUYRKSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nonc1CC(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238456 953228829 /nfs/dbraw/zinc/22/88/29/953228829.db2.gz DEAMPCGQOOCASV-QWRGUYRKSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238631 953230808 /nfs/dbraw/zinc/23/08/08/953230808.db2.gz ISBKWUIMENBPHC-CABZTGNLSA-N -1 1 384.404 0.030 20 0 GCADMM COc1ncc(NC(=O)N2CCC(Cn3cncn3)CC2)cc1-c1nn[n-]n1 ZINC001571238554 953230893 /nfs/dbraw/zinc/23/08/93/953230893.db2.gz GYCFHWLBGKGOOQ-UHFFFAOYSA-N -1 1 384.404 0.806 20 0 GCADMM COc1ncc(NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1-c1nn[n-]n1 ZINC001571238650 953231647 /nfs/dbraw/zinc/23/16/47/953231647.db2.gz JLXIPAHFGMKERZ-LLVKDONJSA-N -1 1 384.404 0.806 20 0 GCADMM COc1ncc(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1-c1nn[n-]n1 ZINC001571238651 953231835 /nfs/dbraw/zinc/23/18/35/953231835.db2.gz JLXIPAHFGMKERZ-NSHDSACASA-N -1 1 384.404 0.806 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238735 953232015 /nfs/dbraw/zinc/23/20/15/953232015.db2.gz LSYRCHDVMGNCCN-LLVKDONJSA-N -1 1 384.404 0.031 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238735 953232016 /nfs/dbraw/zinc/23/20/16/953232016.db2.gz LSYRCHDVMGNCCN-LLVKDONJSA-N -1 1 384.404 0.031 20 0 GCADMM Cn1cc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)[nH]c1=O ZINC001571238730 953232347 /nfs/dbraw/zinc/23/23/47/953232347.db2.gz LQNOHCOJYMECOC-SNVBAGLBSA-N -1 1 384.404 0.203 20 0 GCADMM Cn1c(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]c1=O ZINC001571239008 953234513 /nfs/dbraw/zinc/23/45/13/953234513.db2.gz PBJLSWPZLVKXMY-UWVGGRQHSA-N -1 1 384.404 0.106 20 0 GCADMM Cn1c(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]c1=O ZINC001571239008 953234517 /nfs/dbraw/zinc/23/45/17/953234517.db2.gz PBJLSWPZLVKXMY-UWVGGRQHSA-N -1 1 384.404 0.106 20 0 GCADMM Cc1nc(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571239134 953236685 /nfs/dbraw/zinc/23/66/85/953236685.db2.gz QZFMHBHQRHBBPC-LLVKDONJSA-N -1 1 384.404 0.031 20 0 GCADMM COc1c(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)cnn1C ZINC001571239243 953237287 /nfs/dbraw/zinc/23/72/87/953237287.db2.gz RFSJJSCWGZLHML-NXEZZACHSA-N -1 1 384.404 0.114 20 0 GCADMM COc1c(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)cnn1C ZINC001571239243 953237290 /nfs/dbraw/zinc/23/72/90/953237290.db2.gz RFSJJSCWGZLHML-NXEZZACHSA-N -1 1 384.404 0.114 20 0 GCADMM COc1nn(C)cc1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571239789 953242872 /nfs/dbraw/zinc/24/28/72/953242872.db2.gz XUYUIQJOWYTIPV-UHFFFAOYSA-N -1 1 384.404 0.019 20 0 GCADMM COc1nn(C)cc1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571239789 953242875 /nfs/dbraw/zinc/24/28/75/953242875.db2.gz XUYUIQJOWYTIPV-UHFFFAOYSA-N -1 1 384.404 0.019 20 0 GCADMM O=C(c1cnns1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571241850 953250456 /nfs/dbraw/zinc/25/04/56/953250456.db2.gz NDXADTAKLIBNSZ-ZJUUUORDSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnns1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571241850 953250459 /nfs/dbraw/zinc/25/04/59/953250459.db2.gz NDXADTAKLIBNSZ-ZJUUUORDSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)c1cnsn1 ZINC001571242348 953255350 /nfs/dbraw/zinc/25/53/50/953255350.db2.gz ZTGMYYXQPMZNEK-GUBZILKMSA-N -1 1 384.429 0.296 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)c1cnsn1 ZINC001571242348 953255353 /nfs/dbraw/zinc/25/53/53/953255353.db2.gz ZTGMYYXQPMZNEK-GUBZILKMSA-N -1 1 384.429 0.296 20 0 GCADMM CC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571242453 953256407 /nfs/dbraw/zinc/25/64/07/953256407.db2.gz GQKJWXBWMGXPFP-WSGDXGOYSA-N -1 1 384.444 0.588 20 0 GCADMM CC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571242453 953256411 /nfs/dbraw/zinc/25/64/11/953256411.db2.gz GQKJWXBWMGXPFP-WSGDXGOYSA-N -1 1 384.444 0.588 20 0 GCADMM COC1CC(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)C1 ZINC001571242600 953258152 /nfs/dbraw/zinc/25/81/52/953258152.db2.gz JVLKKOHNBHFHOV-QKONQCHXSA-N -1 1 384.444 0.366 20 0 GCADMM COC1CC(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)C1 ZINC001571242600 953258155 /nfs/dbraw/zinc/25/81/55/953258155.db2.gz JVLKKOHNBHFHOV-QKONQCHXSA-N -1 1 384.444 0.366 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571242687 953258998 /nfs/dbraw/zinc/25/89/98/953258998.db2.gz LPDJWFCWNVKBDX-BCUIYNNISA-N -1 1 384.444 0.224 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571242687 953259000 /nfs/dbraw/zinc/25/90/00/953259000.db2.gz LPDJWFCWNVKBDX-BCUIYNNISA-N -1 1 384.444 0.224 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C3=CCCC3)[C@@H](O)C2)n1 ZINC001571242891 953260919 /nfs/dbraw/zinc/26/09/19/953260919.db2.gz QMAORXOJUWLULI-OCCSQVGLSA-N -1 1 384.444 0.385 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C3=CCCC3)[C@@H](O)C2)n1 ZINC001571242891 953260922 /nfs/dbraw/zinc/26/09/22/953260922.db2.gz QMAORXOJUWLULI-OCCSQVGLSA-N -1 1 384.444 0.385 20 0 GCADMM CN(C(=O)[C@@H]1C[C@]12CCOC2)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571242963 953261707 /nfs/dbraw/zinc/26/17/07/953261707.db2.gz SALQBLHCCNRYCU-UGSOOPFHSA-N -1 1 384.444 0.511 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571243053 953262380 /nfs/dbraw/zinc/26/23/80/953262380.db2.gz USXMMBJPLJQRKY-LFPKGMGHSA-N -1 1 384.444 0.475 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571243053 953262383 /nfs/dbraw/zinc/26/23/83/953262383.db2.gz USXMMBJPLJQRKY-LFPKGMGHSA-N -1 1 384.444 0.475 20 0 GCADMM COC1CC(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001571243075 953262446 /nfs/dbraw/zinc/26/24/46/953262446.db2.gz VETABQGUWMFKJH-GFJIZPEISA-N -1 1 384.444 0.509 20 0 GCADMM COC1CC(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)C1 ZINC001571243075 953262447 /nfs/dbraw/zinc/26/24/47/953262447.db2.gz VETABQGUWMFKJH-GFJIZPEISA-N -1 1 384.444 0.509 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)C3=CCOCC3)C2)n1 ZINC001571243152 953263229 /nfs/dbraw/zinc/26/32/29/953263229.db2.gz XJZLNOIKHMLQJB-ZDUSSCGKSA-N -1 1 384.444 0.651 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)C3=CCOCC3)C2)n1 ZINC001571243152 953263231 /nfs/dbraw/zinc/26/32/31/953263231.db2.gz XJZLNOIKHMLQJB-ZDUSSCGKSA-N -1 1 384.444 0.651 20 0 GCADMM CCN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571243198 953263918 /nfs/dbraw/zinc/26/39/18/953263918.db2.gz YNKXBEIXACNLKN-LXIYXOSZSA-N -1 1 384.444 0.429 20 0 GCADMM CCN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571243198 953263920 /nfs/dbraw/zinc/26/39/20/953263920.db2.gz YNKXBEIXACNLKN-LXIYXOSZSA-N -1 1 384.444 0.429 20 0 GCADMM O=C(NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)[C@@H]1CC12CCC2 ZINC001571248025 953288666 /nfs/dbraw/zinc/28/86/66/953288666.db2.gz CHDDCCSJAWFFJM-OLZOCXBDSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)[C@@H]1CC12CCC2 ZINC001571248025 953288669 /nfs/dbraw/zinc/28/86/69/953288669.db2.gz CHDDCCSJAWFFJM-OLZOCXBDSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)[C@H]1CC12CCC2 ZINC001571248026 953288923 /nfs/dbraw/zinc/28/89/23/953288923.db2.gz CHDDCCSJAWFFJM-QWHCGFSZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)[C@H]1CC12CCC2 ZINC001571248026 953288926 /nfs/dbraw/zinc/28/89/26/953288926.db2.gz CHDDCCSJAWFFJM-QWHCGFSZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)[C@]12CCC[C@H]1OCC2 ZINC001571248135 953289813 /nfs/dbraw/zinc/28/98/13/953289813.db2.gz FCBBQIMRSOFTFG-JCGVRSQUSA-N -1 1 384.444 0.441 20 0 GCADMM O=C(N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)[C@]12CCC[C@H]1OCC2 ZINC001571248137 953290182 /nfs/dbraw/zinc/29/01/82/953290182.db2.gz FCBBQIMRSOFTFG-VFVRVIDISA-N -1 1 384.444 0.441 20 0 GCADMM O=C(C1CC2(C1)CCOCC2)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571248095 953290190 /nfs/dbraw/zinc/29/01/90/953290190.db2.gz DPRMATQAGAAPNA-ZDUSSCGKSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(C1CC2(C1)CCOCC2)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571248095 953290193 /nfs/dbraw/zinc/29/01/93/953290193.db2.gz DPRMATQAGAAPNA-ZDUSSCGKSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(C[C@H]1CCCO1)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571248523 953294677 /nfs/dbraw/zinc/29/46/77/953294677.db2.gz FIDLNXMYJCPLLT-OCCSQVGLSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@H]1CCCO1)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571248523 953294680 /nfs/dbraw/zinc/29/46/80/953294680.db2.gz FIDLNXMYJCPLLT-OCCSQVGLSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1C[C@]12CCOC2 ZINC001571248582 953295292 /nfs/dbraw/zinc/29/52/92/953295292.db2.gz HAHROQXMZTVSSU-UGSOOPFHSA-N -1 1 384.444 0.416 20 0 GCADMM O=C(NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1C[C@]12CCOC2 ZINC001571248582 953295295 /nfs/dbraw/zinc/29/52/95/953295295.db2.gz HAHROQXMZTVSSU-UGSOOPFHSA-N -1 1 384.444 0.416 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C12CCC(CC1)CC2 ZINC001571248605 953295434 /nfs/dbraw/zinc/29/54/34/953295434.db2.gz HLFCNNLEHSCRSV-JWOUMNJPSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C12CCC(CC1)CC2 ZINC001571248605 953295436 /nfs/dbraw/zinc/29/54/36/953295436.db2.gz HLFCNNLEHSCRSV-JWOUMNJPSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1=CCCCCC1 ZINC001571248803 953298295 /nfs/dbraw/zinc/29/82/95/953298295.db2.gz IUXLONRXLCNBOB-UKRRQHHQSA-N -1 1 384.444 0.603 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1=CCCCCC1 ZINC001571248803 953298298 /nfs/dbraw/zinc/29/82/98/953298298.db2.gz IUXLONRXLCNBOB-UKRRQHHQSA-N -1 1 384.444 0.603 20 0 GCADMM O=C(N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001571248966 953299509 /nfs/dbraw/zinc/29/95/09/953299509.db2.gz NAQVUOKUFCXAAP-LXIYXOSZSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@]12C[C@H]1COC2 ZINC001571248966 953299515 /nfs/dbraw/zinc/29/95/15/953299515.db2.gz NAQVUOKUFCXAAP-LXIYXOSZSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CC12CCOCC2 ZINC001571249435 953304734 /nfs/dbraw/zinc/30/47/34/953304734.db2.gz PQPMLCDONMPMGZ-CYBMUJFWSA-N -1 1 384.444 0.558 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)n1 ZINC001571249391 953304816 /nfs/dbraw/zinc/30/48/16/953304816.db2.gz PDQZSCLWYLQDSK-QWHCGFSZSA-N -1 1 384.444 0.795 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)n1 ZINC001571249391 953304823 /nfs/dbraw/zinc/30/48/23/953304823.db2.gz PDQZSCLWYLQDSK-QWHCGFSZSA-N -1 1 384.444 0.795 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)n1 ZINC001571249393 953304972 /nfs/dbraw/zinc/30/49/72/953304972.db2.gz PDQZSCLWYLQDSK-STQMWFEESA-N -1 1 384.444 0.795 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)n1 ZINC001571249393 953304976 /nfs/dbraw/zinc/30/49/76/953304976.db2.gz PDQZSCLWYLQDSK-STQMWFEESA-N -1 1 384.444 0.795 20 0 GCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CC12CCOCC2 ZINC001571249437 953305499 /nfs/dbraw/zinc/30/54/99/953305499.db2.gz PQPMLCDONMPMGZ-ZDUSSCGKSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC2(CCOCC2)C1)C1CC1 ZINC001571250295 953310593 /nfs/dbraw/zinc/31/05/93/953310593.db2.gz QHECBODPDIUOCJ-ZDUSSCGKSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC2(CCOCC2)C1)C1CC1 ZINC001571250295 953310596 /nfs/dbraw/zinc/31/05/96/953310596.db2.gz QHECBODPDIUOCJ-ZDUSSCGKSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571250478 953311340 /nfs/dbraw/zinc/31/13/40/953311340.db2.gz RTKYEXRRRYJLGQ-MGPQQGTHSA-N -1 1 384.444 0.653 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)n1 ZINC001571251215 953315894 /nfs/dbraw/zinc/31/58/94/953315894.db2.gz SSGJBHYXCUUGLG-IMRBUKKESA-N -1 1 384.444 0.651 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)n1 ZINC001571251215 953315897 /nfs/dbraw/zinc/31/58/97/953315897.db2.gz SSGJBHYXCUUGLG-IMRBUKKESA-N -1 1 384.444 0.651 20 0 GCADMM O=C(C[C@H]1CCCOC1)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571251196 953316073 /nfs/dbraw/zinc/31/60/73/953316073.db2.gz RUWPAKJATYFKAD-VNHYZAJKSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@H]1CCCOC1)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571251196 953316077 /nfs/dbraw/zinc/31/60/77/953316077.db2.gz RUWPAKJATYFKAD-VNHYZAJKSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@@H]1CCCO1)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571251755 953319269 /nfs/dbraw/zinc/31/92/69/953319269.db2.gz VXSZSICUBJAJGE-UZAUQEHTSA-N -1 1 384.444 0.487 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571252186 953325097 /nfs/dbraw/zinc/32/50/97/953325097.db2.gz YBZSHMTWIKXBQN-ACJLOTCBSA-N -1 1 384.444 0.512 20 0 GCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ncc(Br)cc1Cl ZINC001571252266 953326665 /nfs/dbraw/zinc/32/66/65/953326665.db2.gz JENPMLIVVINIHC-UHFFFAOYSA-N -1 1 384.581 0.988 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571252371 953327291 /nfs/dbraw/zinc/32/72/91/953327291.db2.gz ZPEYMZJLNPSGPZ-MELADBBJSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571252371 953327293 /nfs/dbraw/zinc/32/72/93/953327293.db2.gz ZPEYMZJLNPSGPZ-MELADBBJSA-N -1 1 384.444 0.732 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Oc1ccccc1 ZINC001571254595 953340044 /nfs/dbraw/zinc/34/00/44/953340044.db2.gz BAFLRRYYWSXITA-NSHDSACASA-N -1 1 385.384 0.103 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Oc1ccccc1 ZINC001571254592 953340353 /nfs/dbraw/zinc/34/03/53/953340353.db2.gz BAFLRRYYWSXITA-LLVKDONJSA-N -1 1 385.384 0.103 20 0 GCADMM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001571254671 953340519 /nfs/dbraw/zinc/34/05/19/953340519.db2.gz BRDBZPJSVWJZBY-IUCAKERBSA-N -1 1 385.384 0.144 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)on1 ZINC001571254988 953344220 /nfs/dbraw/zinc/34/42/20/953344220.db2.gz DLHAVRPWBVDLSZ-GXFFZTMASA-N -1 1 385.388 0.295 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)on1 ZINC001571254988 953344225 /nfs/dbraw/zinc/34/42/25/953344225.db2.gz DLHAVRPWBVDLSZ-GXFFZTMASA-N -1 1 385.388 0.295 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H]1CCCc2ccc(F)cc21 ZINC001571255067 953345345 /nfs/dbraw/zinc/34/53/45/953345345.db2.gz HGIABYQZUHYFAQ-ZDUSSCGKSA-N -1 1 385.359 0.462 20 0 GCADMM COc1nc(C(=O)N[C@H]2CC[C@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571255301 953347539 /nfs/dbraw/zinc/34/75/39/953347539.db2.gz HSEXJRVGDYVUDY-UWVGGRQHSA-N -1 1 385.388 0.441 20 0 GCADMM CCc1cc(C(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571255321 953347839 /nfs/dbraw/zinc/34/78/39/953347839.db2.gz HXGBAQGZIYAKIN-LLVKDONJSA-N -1 1 385.388 0.160 20 0 GCADMM CCc1cc(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571255321 953347841 /nfs/dbraw/zinc/34/78/41/953347841.db2.gz HXGBAQGZIYAKIN-LLVKDONJSA-N -1 1 385.388 0.160 20 0 GCADMM COc1cc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571255284 953348092 /nfs/dbraw/zinc/34/80/92/953348092.db2.gz HIJGRXYQOZDLHR-UWVGGRQHSA-N -1 1 385.388 0.664 20 0 GCADMM COc1cc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571255284 953348098 /nfs/dbraw/zinc/34/80/98/953348098.db2.gz HIJGRXYQOZDLHR-UWVGGRQHSA-N -1 1 385.388 0.664 20 0 GCADMM Cc1ccccc1O[C@H](C)CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571255627 953352131 /nfs/dbraw/zinc/35/21/31/953352131.db2.gz KPLXIXJBERJWBB-LLVKDONJSA-N -1 1 385.384 0.021 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)co1 ZINC001571255738 953353158 /nfs/dbraw/zinc/35/31/58/953353158.db2.gz MFOIIPDJDAAHTF-UWVGGRQHSA-N -1 1 385.388 0.759 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)co1 ZINC001571255738 953353165 /nfs/dbraw/zinc/35/31/65/953353165.db2.gz MFOIIPDJDAAHTF-UWVGGRQHSA-N -1 1 385.388 0.759 20 0 GCADMM COCc1cc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)no1 ZINC001571255755 953354664 /nfs/dbraw/zinc/35/46/64/953354664.db2.gz MSADMQQAURKPJY-JTQLQIEISA-N -1 1 385.388 0.108 20 0 GCADMM COCc1cc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)no1 ZINC001571255755 953354668 /nfs/dbraw/zinc/35/46/68/953354668.db2.gz MSADMQQAURKPJY-JTQLQIEISA-N -1 1 385.388 0.108 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571255988 953360178 /nfs/dbraw/zinc/36/01/78/953360178.db2.gz NPPCJOFUSOIESG-VHSXEESVSA-N -1 1 385.388 0.038 20 0 GCADMM COc1cc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)on1 ZINC001571256026 953361123 /nfs/dbraw/zinc/36/11/23/953361123.db2.gz ONWYWZTZZCJKGS-SNVBAGLBSA-N -1 1 385.388 0.760 20 0 GCADMM COc1cc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)on1 ZINC001571256026 953361132 /nfs/dbraw/zinc/36/11/32/953361132.db2.gz ONWYWZTZZCJKGS-SNVBAGLBSA-N -1 1 385.388 0.760 20 0 GCADMM COc1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)on1 ZINC001571256025 953362278 /nfs/dbraw/zinc/36/22/78/953362278.db2.gz ONWYWZTZZCJKGS-JTQLQIEISA-N -1 1 385.388 0.760 20 0 GCADMM COc1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)on1 ZINC001571256025 953362283 /nfs/dbraw/zinc/36/22/83/953362283.db2.gz ONWYWZTZZCJKGS-JTQLQIEISA-N -1 1 385.388 0.760 20 0 GCADMM COc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(F)c1 ZINC001571256252 953367297 /nfs/dbraw/zinc/36/72/97/953367297.db2.gz TWQPFCMAYCJEQD-SECBINFHSA-N -1 1 385.363 0.526 20 0 GCADMM COc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(F)c1 ZINC001571256252 953367304 /nfs/dbraw/zinc/36/73/04/953367304.db2.gz TWQPFCMAYCJEQD-SECBINFHSA-N -1 1 385.363 0.526 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)NCc2nnc([C@@H]3CCOC3)[nH]2)=NN1c1ccccc1 ZINC001594778093 953608408 /nfs/dbraw/zinc/60/84/08/953608408.db2.gz YOHGNBNAUQKLGJ-RISCZKNCSA-N -1 1 384.396 0.644 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)NCc2n[nH]c([C@@H]3CCOC3)n2)=NN1c1ccccc1 ZINC001594778093 953608416 /nfs/dbraw/zinc/60/84/16/953608416.db2.gz YOHGNBNAUQKLGJ-RISCZKNCSA-N -1 1 384.396 0.644 20 0 GCADMM CCc1nnc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC001593654381 953736702 /nfs/dbraw/zinc/73/67/02/953736702.db2.gz DRZXZCHDPJSCGV-XPUUQOCRSA-N -1 1 380.348 0.837 20 0 GCADMM C[C@@H]1CCCN1C(=O)CC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001589332237 953950309 /nfs/dbraw/zinc/95/03/09/953950309.db2.gz DKRRFTCXNUQHRK-NTZNESFSSA-N -1 1 379.379 0.984 20 0 GCADMM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)N[C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000652094104 954056756 /nfs/dbraw/zinc/05/67/56/954056756.db2.gz YOKNQDFEALMUGH-GXTWGEPZSA-N -1 1 375.429 0.894 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC001593698827 954091365 /nfs/dbraw/zinc/09/13/65/954091365.db2.gz JWKXRSYBFZXAKV-UHFFFAOYSA-N -1 1 395.481 0.549 20 0 GCADMM O=C([O-])C1(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CCS(=O)(=O)CC1 ZINC001594850896 954185920 /nfs/dbraw/zinc/18/59/20/954185920.db2.gz SGNHDLCZHDTVNE-LBPRGKRZSA-N -1 1 396.469 0.668 20 0 GCADMM CN(CCCC(=O)[O-])C(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC001593744417 954372447 /nfs/dbraw/zinc/37/24/47/954372447.db2.gz PPDXWJXXOFKEPU-UHFFFAOYSA-N -1 1 378.477 0.885 20 0 GCADMM CN(CCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)Cc1ccccc1 ZINC001593750542 954401522 /nfs/dbraw/zinc/40/15/22/954401522.db2.gz ZTWSFCODBWTKSN-UHFFFAOYSA-N -1 1 382.482 0.904 20 0 GCADMM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000663062545 954432808 /nfs/dbraw/zinc/43/28/08/954432808.db2.gz TVOGYEZPSOFQGI-IBGZPJMESA-N -1 1 375.473 0.996 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001594888466 954488543 /nfs/dbraw/zinc/48/85/43/954488543.db2.gz DSCLIWJLFSQFQB-UISBYWKRSA-N -1 1 388.346 0.637 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001594888729 954492993 /nfs/dbraw/zinc/49/29/93/954492993.db2.gz GWDSAARECOUPOG-KKZNHRDASA-N -1 1 398.359 0.058 20 0 GCADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)COCc1ccncc1 ZINC001594890169 954512967 /nfs/dbraw/zinc/51/29/67/954512967.db2.gz PGHWQJWYDUPJFB-AAEUAGOBSA-N -1 1 389.330 0.721 20 0 GCADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)COc1ccsn1 ZINC001594891202 954528862 /nfs/dbraw/zinc/52/88/62/954528862.db2.gz VEPHSUPRUZWOHM-OIBJUYFYSA-N -1 1 381.332 0.645 20 0 GCADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1ccc(C(F)F)n1 ZINC001594891651 954536419 /nfs/dbraw/zinc/53/64/19/954536419.db2.gz XCXKUSFOVONDHG-OIBJUYFYSA-N -1 1 398.288 0.943 20 0 GCADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3cc(Br)[nH]n3)CC2)C1 ZINC001594896873 954573213 /nfs/dbraw/zinc/57/32/13/954573213.db2.gz DIKCWWFSJCGCNU-MRVPVSSYSA-N -1 1 385.218 0.710 20 0 GCADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001594897257 954577626 /nfs/dbraw/zinc/57/76/26/954577626.db2.gz WRJWOBKWIBVHNF-NEPJUHHUSA-N -1 1 375.429 0.374 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)N2CCC[C@@H](Cc3nn[nH]n3)C2)=NN1c1ccccc1 ZINC001594900313 954620848 /nfs/dbraw/zinc/62/08/48/954620848.db2.gz IRAOVNSCQFHDLI-WFASDCNBSA-N -1 1 383.412 0.700 20 0 GCADMM O=C([O-])[C@H]1CC(C(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)=NN1c1ccccc1 ZINC001594900311 954621452 /nfs/dbraw/zinc/62/14/52/954621452.db2.gz IRAOVNSCQFHDLI-IUODEOHRSA-N -1 1 383.412 0.700 20 0 GCADMM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000689197360 954642528 /nfs/dbraw/zinc/64/25/28/954642528.db2.gz WDJZHNKRGHYFIY-KRWDZBQOSA-N -1 1 396.513 0.188 20 0 GCADMM CN1CCN(CCCS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001593784314 954681939 /nfs/dbraw/zinc/68/19/39/954681939.db2.gz BOROQZOLTSBOBW-IRXDYDNUSA-N -1 1 381.498 0.857 20 0 GCADMM CN1CCN(c2ccc(CNC(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)cn2)CC1 ZINC001593786702 954706755 /nfs/dbraw/zinc/70/67/55/954706755.db2.gz DABAWVHTXLQMRN-JKSUJKDBSA-N -1 1 376.457 0.720 20 0 GCADMM O=C([O-])C1CCN(S(=O)(=O)NCCc2cc(-c3ccncc3)[nH]n2)CC1 ZINC001594938781 954860109 /nfs/dbraw/zinc/86/01/09/954860109.db2.gz CDSNRMVGRRJQLM-UHFFFAOYSA-N -1 1 379.442 0.645 20 0 GCADMM O=C([O-])C1CCN(c2ccc(CNC[C@]34COC(=O)N3CCOC4)o2)CC1 ZINC001594939235 954864956 /nfs/dbraw/zinc/86/49/56/954864956.db2.gz CGEQDWNPIGTOTI-SFHVURJKSA-N -1 1 379.413 0.891 20 0 GCADMM COC(=O)[C@@]1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCCN(Cc2ccccc2)C1 ZINC001593813555 954972901 /nfs/dbraw/zinc/97/29/01/954972901.db2.gz GDKAAWPAEUXFTK-HNAYVOBHSA-N -1 1 389.408 0.540 20 0 GCADMM COC(=O)C1CC2(C1)CN(C(=O)c1cc([C@H]3CCCN3C)n[nH]1)C[C@H]2C(=O)[O-] ZINC001593823495 955062193 /nfs/dbraw/zinc/06/21/93/955062193.db2.gz KPIAOHJNAPKNOX-UYOZNQOWSA-N -1 1 390.440 0.902 20 0 GCADMM COC(=O)C1CC2(C1)CN([C@@H]1CCCN(c3cnn(C)c3)C1=O)C[C@@H]2C(=O)[O-] ZINC001593823893 955069553 /nfs/dbraw/zinc/06/95/53/955069553.db2.gz GUOKNVCPNYRMCB-XUIHCAPWSA-N -1 1 390.440 0.501 20 0 GCADMM COC(=O)C1CC2(C1)CN([C@@H]1CCCN(c3cnn(C)c3)C1=O)C[C@H]2C(=O)[O-] ZINC001593823889 955069586 /nfs/dbraw/zinc/06/95/86/955069586.db2.gz GUOKNVCPNYRMCB-BSCBITANSA-N -1 1 390.440 0.501 20 0 GCADMM COC(=O)C1CC2(C1)CN(S(=O)(=O)c1cc(O)cc(F)c1)C[C@H]2C(=O)[O-] ZINC001593825341 955100573 /nfs/dbraw/zinc/10/05/73/955100573.db2.gz IREMKDPBLKCDNY-TZUZOCNWSA-N -1 1 387.385 0.806 20 0 GCADMM CN(C1CCN(CCc2ccccn2)CC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000737961738 955231165 /nfs/dbraw/zinc/23/11/65/955231165.db2.gz LVPMPWYAWZRROS-KRWDZBQOSA-N -1 1 396.513 0.814 20 0 GCADMM COC(=O)NCCc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])s1 ZINC001593858790 955525352 /nfs/dbraw/zinc/52/53/52/955525352.db2.gz ZGYWLNIOLFMKNQ-UHFFFAOYSA-N -1 1 393.487 0.284 20 0 GCADMM 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/nfs/dbraw/zinc/19/22/20/531192220.db2.gz JPHDRHSNYCDZLL-UHFFFAOYSA-N -1 1 385.294 0.863 20 0 GCADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H](O)[C@@H]1CCOC1 ZINC000685747619 531192541 /nfs/dbraw/zinc/19/25/41/531192541.db2.gz KRKUCEHKALNGSX-SKDRFNHKSA-N -1 1 397.280 0.785 20 0 GCADMM CS[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(C)(C)C ZINC000566033902 531193138 /nfs/dbraw/zinc/19/31/38/531193138.db2.gz NBHDQEMZFXKXES-JTQLQIEISA-N -1 1 377.488 0.551 20 0 GCADMM NC(=O)c1cc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000685788921 531193434 /nfs/dbraw/zinc/19/34/34/531193434.db2.gz PSASRJLCEZZKKW-UHFFFAOYSA-N -1 1 392.224 0.732 20 0 GCADMM CC(C)(NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1nn[n-]n1 ZINC000566269161 531195932 /nfs/dbraw/zinc/19/59/32/531195932.db2.gz BXYMCRITNOWKDD-UHFFFAOYSA-N -1 1 393.256 0.836 20 0 GCADMM C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443073289 531196163 /nfs/dbraw/zinc/19/61/63/531196163.db2.gz BVZUJMFGTBAODS-PELKAZGASA-N -1 1 379.435 0.000 20 0 GCADMM C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443073292 531196783 /nfs/dbraw/zinc/19/67/83/531196783.db2.gz BVZUJMFGTBAODS-UFBFGSQYSA-N -1 1 379.435 0.000 20 0 GCADMM CN(C1CC(O)C1)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1 ZINC000566486446 531199061 /nfs/dbraw/zinc/19/90/61/531199061.db2.gz DQOQUNDPJXRQQP-UHFFFAOYSA-N -1 1 386.455 0.354 20 0 GCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(F)(F)F)o1 ZINC000057010047 205152936 /nfs/dbraw/zinc/15/29/36/205152936.db2.gz CGHQBDQZSTVBLH-UHFFFAOYSA-N -1 1 385.364 0.765 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)CS(C)(=O)=O ZINC000737548366 598824861 /nfs/dbraw/zinc/82/48/61/598824861.db2.gz PBNFYTFQHJOYRB-SECBINFHSA-N -1 1 378.414 0.722 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)CS(C)(=O)=O ZINC000737548366 598824864 /nfs/dbraw/zinc/82/48/64/598824864.db2.gz PBNFYTFQHJOYRB-SECBINFHSA-N -1 1 378.414 0.722 20 0 GCADMM CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736884571 598833647 /nfs/dbraw/zinc/83/36/47/598833647.db2.gz VTAMBPWQRXRNPD-NSHDSACASA-N -1 1 397.461 0.029 20 0 GCADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735572154 598835837 /nfs/dbraw/zinc/83/58/37/598835837.db2.gz SEEKVKCXKSDDKG-RKDXNWHRSA-N -1 1 391.450 0.448 20 0 GCADMM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736041336 598874954 /nfs/dbraw/zinc/87/49/54/598874954.db2.gz VVQWTMAGZXBBNX-QMMMGPOBSA-N -1 1 393.878 0.574 20 0 GCADMM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736041336 598874956 /nfs/dbraw/zinc/87/49/56/598874956.db2.gz VVQWTMAGZXBBNX-QMMMGPOBSA-N -1 1 393.878 0.574 20 0 GCADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000736948955 598875190 /nfs/dbraw/zinc/87/51/90/598875190.db2.gz ZBHASLQLDNHJSI-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM CCOC(=O)c1c2c(sc1NC(=O)Cn1cnnc1-c1nn[n-]n1)CCC2 ZINC000736602675 598875918 /nfs/dbraw/zinc/87/59/18/598875918.db2.gz JVDXDPACKHRMHG-UHFFFAOYSA-N -1 1 388.413 0.824 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOC[C@H]1C(F)(F)F ZINC000738354639 598876464 /nfs/dbraw/zinc/87/64/64/598876464.db2.gz IVUSYMDJMRWVPW-JTQLQIEISA-N -1 1 381.311 0.958 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCc2nc3ccccc3n2C)c1 ZINC000736941721 598892093 /nfs/dbraw/zinc/89/20/93/598892093.db2.gz SFJHDUFFEMYOCG-UHFFFAOYSA-N -1 1 379.380 0.944 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000737549718 598910734 /nfs/dbraw/zinc/91/07/34/598910734.db2.gz YACQWKDHWQLUAY-NSHDSACASA-N -1 1 390.425 0.866 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000737549718 598910736 /nfs/dbraw/zinc/91/07/36/598910736.db2.gz YACQWKDHWQLUAY-NSHDSACASA-N -1 1 390.425 0.866 20 0 GCADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCN1c1ccccc1 ZINC000738294540 598919593 /nfs/dbraw/zinc/91/95/93/598919593.db2.gz CLGFLMDICRESAU-HNNXBMFYSA-N -1 1 399.436 0.736 20 0 GCADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCN1c1ccccc1 ZINC000738294540 598919595 /nfs/dbraw/zinc/91/95/95/598919595.db2.gz CLGFLMDICRESAU-HNNXBMFYSA-N -1 1 399.436 0.736 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC000737769305 598933667 /nfs/dbraw/zinc/93/36/67/598933667.db2.gz JLCPOZXATWHKIA-UHFFFAOYSA-N -1 1 394.399 0.341 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC000737769305 598933669 /nfs/dbraw/zinc/93/36/69/598933669.db2.gz JLCPOZXATWHKIA-UHFFFAOYSA-N -1 1 394.399 0.341 20 0 GCADMM CS(=O)(=O)N1CCC(CNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737166429 598963431 /nfs/dbraw/zinc/96/34/31/598963431.db2.gz QXNHCUCEMCXJOE-UHFFFAOYSA-N -1 1 388.457 0.893 20 0 GCADMM CS(=O)(=O)N1CCC(CNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737166429 598963434 /nfs/dbraw/zinc/96/34/34/598963434.db2.gz QXNHCUCEMCXJOE-UHFFFAOYSA-N -1 1 388.457 0.893 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](O)c2ccccc2Cl)n(C)c1=O ZINC000737597043 598974058 /nfs/dbraw/zinc/97/40/58/598974058.db2.gz PHQXGQRMJHOGPK-JTQLQIEISA-N -1 1 377.792 0.063 20 0 GCADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCC2 ZINC000737300514 598976718 /nfs/dbraw/zinc/97/67/18/598976718.db2.gz ZSODRWBNDKLERK-UHFFFAOYSA-N -1 1 387.425 0.896 20 0 GCADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)N2CCOCC2)o1 ZINC000737318509 598985238 /nfs/dbraw/zinc/98/52/38/598985238.db2.gz AZGLIBAUMOACFC-HNNXBMFYSA-N -1 1 383.412 0.966 20 0 GCADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)N2CCOCC2)o1 ZINC000737318509 598985240 /nfs/dbraw/zinc/98/52/40/598985240.db2.gz AZGLIBAUMOACFC-HNNXBMFYSA-N -1 1 383.412 0.966 20 0 GCADMM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738189456 598986990 /nfs/dbraw/zinc/98/69/90/598986990.db2.gz FCMOSHUETKUHRK-UHFFFAOYSA-N -1 1 379.380 0.986 20 0 GCADMM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738189456 598986992 /nfs/dbraw/zinc/98/69/92/598986992.db2.gz FCMOSHUETKUHRK-UHFFFAOYSA-N -1 1 379.380 0.986 20 0 GCADMM C[C@@]1(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)NC(=O)NC1=O ZINC000736225571 598993483 /nfs/dbraw/zinc/99/34/83/598993483.db2.gz ZRGLJNGJZDBRCL-KRWDZBQOSA-N -1 1 378.352 0.569 20 0 GCADMM C[C@@]1(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)NC(=O)NC1=O ZINC000736225571 598993485 /nfs/dbraw/zinc/99/34/85/598993485.db2.gz ZRGLJNGJZDBRCL-KRWDZBQOSA-N -1 1 378.352 0.569 20 0 GCADMM Cc1oc(NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000737551505 598994001 /nfs/dbraw/zinc/99/40/01/598994001.db2.gz ICKJERVGEJZELA-NSHDSACASA-N -1 1 382.446 0.382 20 0 GCADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)Nc1ccccc1 ZINC000737871788 599021204 /nfs/dbraw/zinc/02/12/04/599021204.db2.gz AWHIJDSMTRBWFK-UHFFFAOYSA-N -1 1 392.423 0.658 20 0 GCADMM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)Nc1ccccc1 ZINC000737871788 599021205 /nfs/dbraw/zinc/02/12/05/599021205.db2.gz AWHIJDSMTRBWFK-UHFFFAOYSA-N -1 1 392.423 0.658 20 0 GCADMM Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000737602026 599028346 /nfs/dbraw/zinc/02/83/46/599028346.db2.gz GUKQKTBJEYVOJZ-UHFFFAOYSA-N -1 1 395.427 0.277 20 0 GCADMM Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000737602026 599028348 /nfs/dbraw/zinc/02/83/48/599028348.db2.gz GUKQKTBJEYVOJZ-UHFFFAOYSA-N -1 1 395.427 0.277 20 0 GCADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)NC1CCCCC1 ZINC000737872453 599030257 /nfs/dbraw/zinc/03/02/57/599030257.db2.gz IHFNSKIWHUJCFO-UHFFFAOYSA-N -1 1 398.471 0.468 20 0 GCADMM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)NC1CCCCC1 ZINC000737872453 599030259 /nfs/dbraw/zinc/03/02/59/599030259.db2.gz IHFNSKIWHUJCFO-UHFFFAOYSA-N -1 1 398.471 0.468 20 0 GCADMM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737994639 599031967 /nfs/dbraw/zinc/03/19/67/599031967.db2.gz DNJWQKRGSKDHTA-QGZVFWFLSA-N -1 1 393.451 0.935 20 0 GCADMM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737994639 599031969 /nfs/dbraw/zinc/03/19/69/599031969.db2.gz DNJWQKRGSKDHTA-QGZVFWFLSA-N -1 1 393.451 0.935 20 0 GCADMM NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737763672 599034084 /nfs/dbraw/zinc/03/40/84/599034084.db2.gz FQFHBSAGTMZABG-UHFFFAOYSA-N -1 1 375.352 0.799 20 0 GCADMM NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737763672 599034086 /nfs/dbraw/zinc/03/40/86/599034086.db2.gz FQFHBSAGTMZABG-UHFFFAOYSA-N -1 1 375.352 0.799 20 0 GCADMM C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[C@H]1c1ccccc1 ZINC000820767907 599050348 /nfs/dbraw/zinc/05/03/48/599050348.db2.gz KDUZERPTZUWJBK-GXTWGEPZSA-N -1 1 381.440 0.894 20 0 GCADMM COc1cccc(F)c1[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821871739 599055822 /nfs/dbraw/zinc/05/58/22/599055822.db2.gz CUSGKRICNVENMN-QMMMGPOBSA-N -1 1 375.364 0.585 20 0 GCADMM C[C@@H]1C[C@@H](c2ccccc2F)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000820665268 599076748 /nfs/dbraw/zinc/07/67/48/599076748.db2.gz FFXGMWCGBSJRSK-MFKMUULPSA-N -1 1 385.403 0.991 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCC2(C(N)=O)CCCC2)cc1-c1nn[n-]n1 ZINC000737186537 599108913 /nfs/dbraw/zinc/10/89/13/599108913.db2.gz JBDILBHDQFWEQU-UHFFFAOYSA-N -1 1 377.430 0.465 20 0 GCADMM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735473866 599135738 /nfs/dbraw/zinc/13/57/38/599135738.db2.gz KGZBTJCFHKDNKY-UHFFFAOYSA-N -1 1 380.364 0.938 20 0 GCADMM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735473866 599135741 /nfs/dbraw/zinc/13/57/41/599135741.db2.gz KGZBTJCFHKDNKY-UHFFFAOYSA-N -1 1 380.364 0.938 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)NCc1ccccc1 ZINC000736159075 599136076 /nfs/dbraw/zinc/13/60/76/599136076.db2.gz UGGCEGNHCTUFSX-NSHDSACASA-N -1 1 395.379 0.833 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)NCc1ccccc1 ZINC000736159075 599136078 /nfs/dbraw/zinc/13/60/78/599136078.db2.gz UGGCEGNHCTUFSX-NSHDSACASA-N -1 1 395.379 0.833 20 0 GCADMM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736910674 599136989 /nfs/dbraw/zinc/13/69/89/599136989.db2.gz QMRMRZDVKXKKGU-SNVBAGLBSA-N -1 1 388.384 0.219 20 0 GCADMM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736910674 599136990 /nfs/dbraw/zinc/13/69/90/599136990.db2.gz QMRMRZDVKXKKGU-SNVBAGLBSA-N -1 1 388.384 0.219 20 0 GCADMM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736910673 599137013 /nfs/dbraw/zinc/13/70/13/599137013.db2.gz QMRMRZDVKXKKGU-JTQLQIEISA-N -1 1 388.384 0.219 20 0 GCADMM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736910673 599137014 /nfs/dbraw/zinc/13/70/14/599137014.db2.gz QMRMRZDVKXKKGU-JTQLQIEISA-N -1 1 388.384 0.219 20 0 GCADMM COCc1ccccc1CNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737022325 599137072 /nfs/dbraw/zinc/13/70/72/599137072.db2.gz RGGQXGYEOXSZQM-UHFFFAOYSA-N -1 1 382.380 0.881 20 0 GCADMM COCc1ccccc1CNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737022325 599137073 /nfs/dbraw/zinc/13/70/73/599137073.db2.gz RGGQXGYEOXSZQM-UHFFFAOYSA-N -1 1 382.380 0.881 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)CCC3CC3)CC2)o1 ZINC000737466901 599143454 /nfs/dbraw/zinc/14/34/54/599143454.db2.gz GROFBZVOSFRWHZ-UHFFFAOYSA-N -1 1 389.416 0.545 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2C[C@@H]2c2c(F)cccc2F)n(C)c1=O ZINC000737598083 599171702 /nfs/dbraw/zinc/17/17/02/599171702.db2.gz YFGLHVHPGWNFQR-XVKPBYJWSA-N -1 1 375.339 0.510 20 0 GCADMM Cc1nc(=NC(=O)c2cccn(C)c2=O)n(-c2ccc(-c3nn[nH]n3)cc2)[n-]1 ZINC000737481598 599199489 /nfs/dbraw/zinc/19/94/89/599199489.db2.gz ANIGCUYMQOMKQR-UHFFFAOYSA-N -1 1 377.368 0.129 20 0 GCADMM CN([C@@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736778778 599210395 /nfs/dbraw/zinc/21/03/95/599210395.db2.gz GEXLQDMWEWWFIB-OAHLLOKOSA-N -1 1 399.436 0.688 20 0 GCADMM CN([C@@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736778778 599210397 /nfs/dbraw/zinc/21/03/97/599210397.db2.gz GEXLQDMWEWWFIB-OAHLLOKOSA-N -1 1 399.436 0.688 20 0 GCADMM C[C@@H](NC(=O)[C@H](C)N1CCC(C(=O)[O-])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000738949704 596918611 /nfs/dbraw/zinc/91/86/11/596918611.db2.gz CHVMOMXSUJSBCP-NEPJUHHUSA-N -1 1 383.470 0.696 20 0 GCADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000817803124 596920665 /nfs/dbraw/zinc/92/06/65/596920665.db2.gz MEPUWMANOOZFKZ-CQSZACIVSA-N -1 1 384.477 0.108 20 0 GCADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(CCN(C)C)CC(=O)[O-] ZINC000818527947 596970302 /nfs/dbraw/zinc/97/03/02/596970302.db2.gz ACIDEKQMDASVAA-UHFFFAOYSA-N -1 1 379.822 0.159 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)=NN1c1ccccc1 ZINC000740476056 596982832 /nfs/dbraw/zinc/98/28/32/596982832.db2.gz JCHLMUXXENKXLG-FGTMMUONSA-N -1 1 386.452 0.764 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000822005924 607266275 /nfs/dbraw/zinc/26/62/75/607266275.db2.gz VNKUAKJLNNPBHB-TZMCWYRMSA-N -1 1 389.460 0.352 20 0 GCADMM CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)C(=O)[O-] ZINC000817878302 597035461 /nfs/dbraw/zinc/03/54/61/597035461.db2.gz PIKWVPICUALKLH-QGZVFWFLSA-N -1 1 390.484 0.988 20 0 GCADMM Cc1oc(NC(=O)COC(=O)COC2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000737550732 599242332 /nfs/dbraw/zinc/24/23/32/599242332.db2.gz BXYXASAHMNICOP-UHFFFAOYSA-N -1 1 379.373 0.754 20 0 GCADMM CS(=O)(=O)c1nc(C(=O)OC[C@H]2CCCN2CC(=O)[O-])c2ccccn21 ZINC000818654172 597457624 /nfs/dbraw/zinc/45/76/24/597457624.db2.gz RKLBOBRGFFXSPT-LLVKDONJSA-N -1 1 381.410 0.444 20 0 GCADMM COC(=O)c1c(F)ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1F ZINC000818512899 597493647 /nfs/dbraw/zinc/49/36/47/597493647.db2.gz OYFOBBGVQYNRMO-UHFFFAOYSA-N -1 1 380.369 0.388 20 0 GCADMM CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000735473935 599270048 /nfs/dbraw/zinc/27/00/48/599270048.db2.gz LSIQTRNTDCXVTB-GXFFZTMASA-N -1 1 391.432 0.240 20 0 GCADMM CC(=O)NCCN(C(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21)[C@@H](C)C(=O)[O-] ZINC000262174576 597692549 /nfs/dbraw/zinc/69/25/49/597692549.db2.gz DRGDWPBQPPLVJF-QWRGUYRKSA-N -1 1 389.412 0.119 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1-c1nn[n-]n1 ZINC000737186487 599275947 /nfs/dbraw/zinc/27/59/47/599275947.db2.gz IBUUOYJNIBOLPN-NSHDSACASA-N -1 1 389.441 0.572 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3c(c2)NC(=O)CC3)c1-c1nnn[n-]1 ZINC000822907213 599284596 /nfs/dbraw/zinc/28/45/96/599284596.db2.gz BJJMBJWBDYTLSN-UHFFFAOYSA-N -1 1 396.415 0.811 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3c(c2)NC(=O)CC3)c1-c1nn[n-]n1 ZINC000822907213 599284599 /nfs/dbraw/zinc/28/45/99/599284599.db2.gz BJJMBJWBDYTLSN-UHFFFAOYSA-N -1 1 396.415 0.811 20 0 GCADMM CCc1nn([C@H]2CCN(CC(F)(F)F)C2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706691 599290470 /nfs/dbraw/zinc/29/04/70/599290470.db2.gz ZAJCPFOFJFGTPW-JTQLQIEISA-N -1 1 385.350 0.884 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000821970956 607325450 /nfs/dbraw/zinc/32/54/50/607325450.db2.gz ULFASOTVDVMTRU-LDYMZIIASA-N -1 1 379.446 0.138 20 0 GCADMM CC(C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCC1CCCC1 ZINC000819992303 607332263 /nfs/dbraw/zinc/33/22/63/607332263.db2.gz VSAGWOJOGYBWGC-UHFFFAOYSA-N -1 1 393.473 0.625 20 0 GCADMM CC(C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCC1CCCC1 ZINC000819992303 607332264 /nfs/dbraw/zinc/33/22/64/607332264.db2.gz VSAGWOJOGYBWGC-UHFFFAOYSA-N -1 1 393.473 0.625 20 0 GCADMM CCc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(CC(=O)[O-])c3)CCO2)n[nH]1 ZINC000820492359 598171737 /nfs/dbraw/zinc/17/17/37/598171737.db2.gz HJPRFGDGLMRKFC-ZDUSSCGKSA-N -1 1 387.396 0.533 20 0 GCADMM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000821469946 598173600 /nfs/dbraw/zinc/17/36/00/598173600.db2.gz GXXOPUDNKYFWQM-UHFFFAOYSA-N -1 1 375.425 0.894 20 0 GCADMM CC(C)[C@@H](NCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000820041352 598189548 /nfs/dbraw/zinc/18/95/48/598189548.db2.gz DBSLQDFJACHDML-IUODEOHRSA-N -1 1 388.511 0.963 20 0 GCADMM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000737488816 598259103 /nfs/dbraw/zinc/25/91/03/598259103.db2.gz XYXMQCKFKQOWLK-UHFFFAOYSA-N -1 1 382.388 0.110 20 0 GCADMM COc1ccccc1OCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737150946 598259150 /nfs/dbraw/zinc/25/91/50/598259150.db2.gz BWDHXAONHXSDDH-UHFFFAOYSA-N -1 1 376.398 0.628 20 0 GCADMM COc1ccccc1OCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737150946 598259152 /nfs/dbraw/zinc/25/91/52/598259152.db2.gz BWDHXAONHXSDDH-UHFFFAOYSA-N -1 1 376.398 0.628 20 0 GCADMM COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736939971 598259289 /nfs/dbraw/zinc/25/92/89/598259289.db2.gz MJSGWIQPXUEPJU-AWEZNQCLSA-N -1 1 388.409 0.324 20 0 GCADMM COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736939971 598259292 /nfs/dbraw/zinc/25/92/92/598259292.db2.gz MJSGWIQPXUEPJU-AWEZNQCLSA-N -1 1 388.409 0.324 20 0 GCADMM Cn1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1=O ZINC000737612851 598259493 /nfs/dbraw/zinc/25/94/93/598259493.db2.gz JNXOADGSYRHNQT-UHFFFAOYSA-N -1 1 396.411 0.393 20 0 GCADMM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](c2ccccc2)C1 ZINC000736868190 598260348 /nfs/dbraw/zinc/26/03/48/598260348.db2.gz QRPRNXHRMVIWDK-MRXNPFEDSA-N -1 1 385.453 0.939 20 0 GCADMM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](c2ccccc2)C1 ZINC000736868190 598260349 /nfs/dbraw/zinc/26/03/49/598260349.db2.gz QRPRNXHRMVIWDK-MRXNPFEDSA-N -1 1 385.453 0.939 20 0 GCADMM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736479192 598261550 /nfs/dbraw/zinc/26/15/50/598261550.db2.gz CTAGNMTZMUFIHU-UHFFFAOYSA-N -1 1 379.446 0.189 20 0 GCADMM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736479192 598261552 /nfs/dbraw/zinc/26/15/52/598261552.db2.gz CTAGNMTZMUFIHU-UHFFFAOYSA-N -1 1 379.446 0.189 20 0 GCADMM O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345987 598261597 /nfs/dbraw/zinc/26/15/97/598261597.db2.gz UUPZKORVJNYWAS-UHFFFAOYSA-N -1 1 375.418 0.058 20 0 GCADMM O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345987 598261599 /nfs/dbraw/zinc/26/15/99/598261599.db2.gz UUPZKORVJNYWAS-UHFFFAOYSA-N -1 1 375.418 0.058 20 0 GCADMM C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000736288958 598261754 /nfs/dbraw/zinc/26/17/54/598261754.db2.gz BQXJOXWGLRZVFY-TXEJJXNPSA-N -1 1 395.489 0.428 20 0 GCADMM C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736288958 598261755 /nfs/dbraw/zinc/26/17/55/598261755.db2.gz BQXJOXWGLRZVFY-TXEJJXNPSA-N -1 1 395.489 0.428 20 0 GCADMM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735585722 598262844 /nfs/dbraw/zinc/26/28/44/598262844.db2.gz DLUMNQCKSPXALL-UHFFFAOYSA-N -1 1 379.446 0.141 20 0 GCADMM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735585722 598262846 /nfs/dbraw/zinc/26/28/46/598262846.db2.gz DLUMNQCKSPXALL-UHFFFAOYSA-N -1 1 379.446 0.141 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccccn2)CC1 ZINC000738352885 598263018 /nfs/dbraw/zinc/26/30/18/598263018.db2.gz BQAGHBIJPPSPFH-UHFFFAOYSA-N -1 1 386.441 0.163 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccccn2)CC1 ZINC000738352885 598263020 /nfs/dbraw/zinc/26/30/20/598263020.db2.gz BQAGHBIJPPSPFH-UHFFFAOYSA-N -1 1 386.441 0.163 20 0 GCADMM CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735683837 598263251 /nfs/dbraw/zinc/26/32/51/598263251.db2.gz FSHXIRSSPHHBNM-UHFFFAOYSA-N -1 1 379.446 0.187 20 0 GCADMM CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735683837 598263254 /nfs/dbraw/zinc/26/32/54/598263254.db2.gz FSHXIRSSPHHBNM-UHFFFAOYSA-N -1 1 379.446 0.187 20 0 GCADMM CCOCCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736624936 598263440 /nfs/dbraw/zinc/26/34/40/598263440.db2.gz FXJASHRTPVXFJM-UHFFFAOYSA-N -1 1 397.461 0.220 20 0 GCADMM COCCOc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737015325 598265501 /nfs/dbraw/zinc/26/55/01/598265501.db2.gz OCBLXRMOLMEGDU-UHFFFAOYSA-N -1 1 391.413 0.160 20 0 GCADMM COCCOc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737015325 598265502 /nfs/dbraw/zinc/26/55/02/598265502.db2.gz OCBLXRMOLMEGDU-UHFFFAOYSA-N -1 1 391.413 0.160 20 0 GCADMM O=S(=O)(NCc1ccc(-n2cncn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345961 598266134 /nfs/dbraw/zinc/26/61/34/598266134.db2.gz TUTFVZYIVQMOSF-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(NCc1ccc(-n2cncn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345961 598266135 /nfs/dbraw/zinc/26/61/35/598266135.db2.gz TUTFVZYIVQMOSF-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(NC1CCN(c2ccccn2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341213 598266212 /nfs/dbraw/zinc/26/62/12/598266212.db2.gz DBYAQBUWIYTJNE-UHFFFAOYSA-N -1 1 386.441 0.604 20 0 GCADMM O=S(=O)(NC1CCN(c2ccccn2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341213 598266213 /nfs/dbraw/zinc/26/62/13/598266213.db2.gz DBYAQBUWIYTJNE-UHFFFAOYSA-N -1 1 386.441 0.604 20 0 GCADMM Cc1noc(C2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000737535648 598267479 /nfs/dbraw/zinc/26/74/79/598267479.db2.gz VEGMVFZUPYZENA-UHFFFAOYSA-N -1 1 376.402 0.521 20 0 GCADMM Cc1noc(C2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000737535648 598267480 /nfs/dbraw/zinc/26/74/80/598267480.db2.gz VEGMVFZUPYZENA-UHFFFAOYSA-N -1 1 376.402 0.521 20 0 GCADMM COc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1OC ZINC000737132411 598267958 /nfs/dbraw/zinc/26/79/58/598267958.db2.gz MNRCIOJRIQIUDJ-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM COc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1OC ZINC000737132411 598267959 /nfs/dbraw/zinc/26/79/59/598267959.db2.gz MNRCIOJRIQIUDJ-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM O=C1NCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccccc1 ZINC000738318109 598271282 /nfs/dbraw/zinc/27/12/82/598271282.db2.gz JANZGRNQGUYVIQ-AWEZNQCLSA-N -1 1 385.409 0.124 20 0 GCADMM O=C1NCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccccc1 ZINC000738318109 598271284 /nfs/dbraw/zinc/27/12/84/598271284.db2.gz JANZGRNQGUYVIQ-AWEZNQCLSA-N -1 1 385.409 0.124 20 0 GCADMM O=S(=O)(NCc1noc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346307 598271427 /nfs/dbraw/zinc/27/14/27/598271427.db2.gz YPJUCXWFJVQHQD-UHFFFAOYSA-N -1 1 390.410 0.852 20 0 GCADMM O=S(=O)(NCc1noc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346307 598271429 /nfs/dbraw/zinc/27/14/29/598271429.db2.gz YPJUCXWFJVQHQD-UHFFFAOYSA-N -1 1 390.410 0.852 20 0 GCADMM O=C(c1c[nH]cn1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738284729 598286256 /nfs/dbraw/zinc/28/62/56/598286256.db2.gz WKIUMCYOEHHUSP-UHFFFAOYSA-N -1 1 381.356 0.800 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCC(=O)Nc2cccnc2)cc1-c1nn[n-]n1 ZINC000737187817 598288474 /nfs/dbraw/zinc/28/84/74/598288474.db2.gz VWPWFJOQYRDPFI-UHFFFAOYSA-N -1 1 386.397 0.453 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)C(=O)N1CCNC1=O ZINC000737548330 598297668 /nfs/dbraw/zinc/29/76/68/598297668.db2.gz OHWLRYNXVIJQKS-SNVBAGLBSA-N -1 1 399.367 0.656 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)C(=O)N1CCNC1=O ZINC000737548330 598297669 /nfs/dbraw/zinc/29/76/69/598297669.db2.gz OHWLRYNXVIJQKS-SNVBAGLBSA-N -1 1 399.367 0.656 20 0 GCADMM CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735622891 598299579 /nfs/dbraw/zinc/29/95/79/598299579.db2.gz IDFGDVFSURUERK-LLVKDONJSA-N -1 1 397.486 0.240 20 0 GCADMM CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735622891 598299580 /nfs/dbraw/zinc/29/95/80/598299580.db2.gz IDFGDVFSURUERK-LLVKDONJSA-N -1 1 397.486 0.240 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCO[C@@H](c3ccccc3)C2)n(C)c1=O ZINC000737595119 598311027 /nfs/dbraw/zinc/31/10/27/598311027.db2.gz GTEWHQCQQQAOJZ-CYBMUJFWSA-N -1 1 383.412 0.232 20 0 GCADMM COc1cccc(S(=O)(=O)CCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c1 ZINC000737140531 598315745 /nfs/dbraw/zinc/31/57/45/598315745.db2.gz FGRPMUHSPIBBQZ-UHFFFAOYSA-N -1 1 390.425 0.523 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCN1c1nccn2cnnc12 ZINC000820742073 607350365 /nfs/dbraw/zinc/35/03/65/607350365.db2.gz HMFQMJKCHBVOCI-JTQLQIEISA-N -1 1 396.440 0.717 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1c1nccn2cnnc12 ZINC000820742073 607350367 /nfs/dbraw/zinc/35/03/67/607350367.db2.gz HMFQMJKCHBVOCI-JTQLQIEISA-N -1 1 396.440 0.717 20 0 GCADMM CC(=O)N1CCN(c2ccccc2CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000735465802 598350725 /nfs/dbraw/zinc/35/07/25/598350725.db2.gz ACZQFSXOUDLDBN-UHFFFAOYSA-N -1 1 379.428 0.937 20 0 GCADMM CC(=O)N1CCN(c2ccccc2CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000735465802 598350727 /nfs/dbraw/zinc/35/07/27/598350727.db2.gz ACZQFSXOUDLDBN-UHFFFAOYSA-N -1 1 379.428 0.937 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@H](Cn3cncn3)C2)c(-c2nn[n-]n2)c1C ZINC000737552335 598353784 /nfs/dbraw/zinc/35/37/84/598353784.db2.gz NIVAXYJDIVWNRV-LBPRGKRZSA-N -1 1 387.404 0.008 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cccc(OCC(F)F)c2)n(C)c1=O ZINC000737596424 598353864 /nfs/dbraw/zinc/35/38/64/598353864.db2.gz NNUOANMUBFDVEN-UHFFFAOYSA-N -1 1 393.354 0.520 20 0 GCADMM CCOc1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1F ZINC000736644398 598362919 /nfs/dbraw/zinc/36/29/19/598362919.db2.gz KTLHWDFPOTWAPK-UHFFFAOYSA-N -1 1 375.364 0.414 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cn(-c3ccccc3)nn2)c1 ZINC000736939000 598363547 /nfs/dbraw/zinc/36/35/47/598363547.db2.gz DWTBTKCHORFJRI-UHFFFAOYSA-N -1 1 378.352 0.444 20 0 GCADMM O=S(=O)(Cc1ccccc1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000738329937 598384910 /nfs/dbraw/zinc/38/49/10/598384910.db2.gz ONLNOOKVAGHZTO-UHFFFAOYSA-N -1 1 386.441 0.309 20 0 GCADMM O=S(=O)(Cc1ccccc1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000738329937 598384912 /nfs/dbraw/zinc/38/49/12/598384912.db2.gz ONLNOOKVAGHZTO-UHFFFAOYSA-N -1 1 386.441 0.309 20 0 GCADMM COC(=O)COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC000821662646 607355758 /nfs/dbraw/zinc/35/57/58/607355758.db2.gz LVHSXXYEEYIHIT-UHFFFAOYSA-N -1 1 392.763 0.302 20 0 GCADMM Cc1[nH]c2ccccc2c1CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737198957 598395054 /nfs/dbraw/zinc/39/50/54/598395054.db2.gz KYXHHRUUPVLZIN-UHFFFAOYSA-N -1 1 380.412 0.708 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000736770276 598404678 /nfs/dbraw/zinc/40/46/78/598404678.db2.gz HVGMDBPBEBHPEL-UHFFFAOYSA-N -1 1 396.820 0.238 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736609296 598407715 /nfs/dbraw/zinc/40/77/15/598407715.db2.gz FGBBYQRNDIHLQJ-OCCSQVGLSA-N -1 1 397.395 0.959 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736609296 598407716 /nfs/dbraw/zinc/40/77/16/598407716.db2.gz FGBBYQRNDIHLQJ-OCCSQVGLSA-N -1 1 397.395 0.959 20 0 GCADMM CC[C@@H](OC)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736380352 598409742 /nfs/dbraw/zinc/40/97/42/598409742.db2.gz FIWLPZUOZUXXQN-CYBMUJFWSA-N -1 1 385.384 0.959 20 0 GCADMM CC[C@@H](OC)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736380352 598409743 /nfs/dbraw/zinc/40/97/43/598409743.db2.gz FIWLPZUOZUXXQN-CYBMUJFWSA-N -1 1 385.384 0.959 20 0 GCADMM O=C(COC(=O)[C@@H]1CCOC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737909657 598410406 /nfs/dbraw/zinc/41/04/06/598410406.db2.gz UMHOQANOVLYKCF-LLVKDONJSA-N -1 1 383.368 0.571 20 0 GCADMM O=C(COC(=O)[C@@H]1CCOC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737909657 598410408 /nfs/dbraw/zinc/41/04/08/598410408.db2.gz UMHOQANOVLYKCF-LLVKDONJSA-N -1 1 383.368 0.571 20 0 GCADMM COC(=O)[C@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000736908403 598421007 /nfs/dbraw/zinc/42/10/07/598421007.db2.gz FRPXOJJDMMCMHH-LBPRGKRZSA-N -1 1 388.428 0.928 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(C(=O)NCC(C)C)c2)c1=O ZINC000736717809 598439764 /nfs/dbraw/zinc/43/97/64/598439764.db2.gz DYKLAHAGUVATNR-UHFFFAOYSA-N -1 1 397.439 0.644 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736909593 598453447 /nfs/dbraw/zinc/45/34/47/598453447.db2.gz QYBZWUGBWIGVBV-GHMZBOCLSA-N -1 1 387.400 0.190 20 0 GCADMM CC(=O)N1CCN(C(=O)CCNc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735466621 598466676 /nfs/dbraw/zinc/46/66/76/598466676.db2.gz VIXHARSFXXJIGA-UHFFFAOYSA-N -1 1 384.853 0.469 20 0 GCADMM CC(=O)N1CCN(C(=O)CCNc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735466621 598466678 /nfs/dbraw/zinc/46/66/78/598466678.db2.gz VIXHARSFXXJIGA-UHFFFAOYSA-N -1 1 384.853 0.469 20 0 GCADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCNc2ccc(-c3nn[nH]n3)cn2)o1 ZINC000736949250 598470464 /nfs/dbraw/zinc/47/04/64/598470464.db2.gz PRGLEJJCFIRFPE-UHFFFAOYSA-N -1 1 393.385 0.032 20 0 GCADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCNc2ncccc2-c2nn[nH]n2)o1 ZINC000736949934 598470653 /nfs/dbraw/zinc/47/06/53/598470653.db2.gz WESOWFKVRKULHV-UHFFFAOYSA-N -1 1 393.385 0.032 20 0 GCADMM CCCOc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000736489761 598471951 /nfs/dbraw/zinc/47/19/51/598471951.db2.gz AJIBJWAICACLRY-UHFFFAOYSA-N -1 1 375.414 0.924 20 0 GCADMM CCCOc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000736489761 598471952 /nfs/dbraw/zinc/47/19/52/598471952.db2.gz AJIBJWAICACLRY-UHFFFAOYSA-N -1 1 375.414 0.924 20 0 GCADMM O=S(=O)(NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344163 598526602 /nfs/dbraw/zinc/52/66/02/598526602.db2.gz WLFXXFRVFQXUOZ-SECBINFHSA-N -1 1 391.379 0.424 20 0 GCADMM O=S(=O)(NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344163 598526604 /nfs/dbraw/zinc/52/66/04/598526604.db2.gz WLFXXFRVFQXUOZ-SECBINFHSA-N -1 1 391.379 0.424 20 0 GCADMM Cc1nn(CC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513159 598538011 /nfs/dbraw/zinc/53/80/11/598538011.db2.gz HMTALHUBYJDYSP-SNVBAGLBSA-N -1 1 395.379 0.643 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000737188047 598541946 /nfs/dbraw/zinc/54/19/46/598541946.db2.gz WVLWKWUQZYBHNM-JTQLQIEISA-N -1 1 377.430 0.286 20 0 GCADMM O=C(C(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)N1CCCC1 ZINC000737780590 598575675 /nfs/dbraw/zinc/57/56/75/598575675.db2.gz CZPCCWLQWANETQ-UHFFFAOYSA-N -1 1 390.835 0.186 20 0 GCADMM O=C(C(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)N1CCCC1 ZINC000737780590 598575676 /nfs/dbraw/zinc/57/56/76/598575676.db2.gz CZPCCWLQWANETQ-UHFFFAOYSA-N -1 1 390.835 0.186 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](O)c2ccc3ccccc3c2)n(C)c1=O ZINC000737594875 598580786 /nfs/dbraw/zinc/58/07/86/598580786.db2.gz CVTIAJVORVAZOO-AWEZNQCLSA-N -1 1 393.407 0.563 20 0 GCADMM COC(=O)Cc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736930481 598581570 /nfs/dbraw/zinc/58/15/70/598581570.db2.gz GVGASWLALSMXJJ-UHFFFAOYSA-N -1 1 375.366 0.745 20 0 GCADMM COC(=O)Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736930481 598581572 /nfs/dbraw/zinc/58/15/72/598581572.db2.gz GVGASWLALSMXJJ-UHFFFAOYSA-N -1 1 375.366 0.745 20 0 GCADMM CCNC(=O)NCCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736576763 598585325 /nfs/dbraw/zinc/58/53/25/598585325.db2.gz ZYWJOSWHUZZWBB-UHFFFAOYSA-N -1 1 391.432 0.769 20 0 GCADMM CCS(=O)(=O)NCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736666034 598597952 /nfs/dbraw/zinc/59/79/52/598597952.db2.gz XMYPWRHCLZKCTB-UHFFFAOYSA-N -1 1 394.413 0.655 20 0 GCADMM CCS(=O)(=O)NCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736666034 598597954 /nfs/dbraw/zinc/59/79/54/598597954.db2.gz XMYPWRHCLZKCTB-UHFFFAOYSA-N -1 1 394.413 0.655 20 0 GCADMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737820022 598616433 /nfs/dbraw/zinc/61/64/33/598616433.db2.gz GINDOBXBIKBKGM-LBPRGKRZSA-N -1 1 387.425 0.526 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCN2CCOCC2(C)C)cc1-c1nn[n-]n1 ZINC000737187254 598618836 /nfs/dbraw/zinc/61/88/36/598618836.db2.gz PFFGOCMRAGKPOY-UHFFFAOYSA-N -1 1 393.473 0.530 20 0 GCADMM CCOC(=O)CCCNC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736591373 598640495 /nfs/dbraw/zinc/64/04/95/598640495.db2.gz BHCOBARKTIGNNY-UHFFFAOYSA-N -1 1 391.432 0.008 20 0 GCADMM CCc1nn(Cc2nnnn2-c2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705918 598641830 /nfs/dbraw/zinc/64/18/30/598641830.db2.gz CMZKXQGVTKIEQJ-UHFFFAOYSA-N -1 1 378.400 0.572 20 0 GCADMM Cn1cnc2c1ncnc2N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737619995 598648323 /nfs/dbraw/zinc/64/83/23/598648323.db2.gz ZLPDRIGFRIRFQL-UHFFFAOYSA-N -1 1 393.415 0.735 20 0 GCADMM CCCN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)CC(=O)OC ZINC000821088733 607363752 /nfs/dbraw/zinc/36/37/52/607363752.db2.gz UNUWCNGXZXTTRF-UHFFFAOYSA-N -1 1 398.427 0.876 20 0 GCADMM CCCN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC(=O)OC ZINC000821088733 607363753 /nfs/dbraw/zinc/36/37/53/607363753.db2.gz UNUWCNGXZXTTRF-UHFFFAOYSA-N -1 1 398.427 0.876 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826090784 607364330 /nfs/dbraw/zinc/36/43/30/607364330.db2.gz OXTZFBZVPMNPDA-UHFFFAOYSA-N -1 1 391.365 0.408 20 0 GCADMM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736783075 598687037 /nfs/dbraw/zinc/68/70/37/598687037.db2.gz IAGMZJWFDKRLFW-UHFFFAOYSA-N -1 1 394.388 0.536 20 0 GCADMM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738018510 598690761 /nfs/dbraw/zinc/69/07/61/598690761.db2.gz BREIEZFNIXDTQL-CYBMUJFWSA-N -1 1 380.405 0.438 20 0 GCADMM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735685102 598692380 /nfs/dbraw/zinc/69/23/80/598692380.db2.gz NZEZSPIXDGLHJI-NSHDSACASA-N -1 1 396.448 0.931 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(CC(F)F)CC1 ZINC000738353689 598693952 /nfs/dbraw/zinc/69/39/52/598693952.db2.gz FEEONJODFHJBOZ-UHFFFAOYSA-N -1 1 376.364 0.577 20 0 GCADMM CNC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000736871937 598694666 /nfs/dbraw/zinc/69/46/66/598694666.db2.gz USKGWJMJSLESQZ-GFCCVEGCSA-N -1 1 387.444 0.501 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2nccs2)C1 ZINC000738355814 598710209 /nfs/dbraw/zinc/71/02/09/598710209.db2.gz UFDKDLPCUAXGBW-NSHDSACASA-N -1 1 379.427 0.480 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2nccs2)C1 ZINC000738355814 598710211 /nfs/dbraw/zinc/71/02/11/598710211.db2.gz UFDKDLPCUAXGBW-NSHDSACASA-N -1 1 379.427 0.480 20 0 GCADMM CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)C1 ZINC000735474093 598719047 /nfs/dbraw/zinc/71/90/47/598719047.db2.gz GVZMIFSLUBXRDM-CYBMUJFWSA-N -1 1 395.423 0.309 20 0 GCADMM CC[C@H](C)[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)C(=O)OC ZINC000736328864 598719450 /nfs/dbraw/zinc/71/94/50/598719450.db2.gz IJAYYGKKKGAOHN-MEDUHNTESA-N -1 1 398.423 0.886 20 0 GCADMM Cc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1F ZINC000737271699 598728272 /nfs/dbraw/zinc/72/82/72/598728272.db2.gz NIJMWCSJEUBAAV-UHFFFAOYSA-N -1 1 387.379 0.307 20 0 GCADMM Cc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1F ZINC000737271699 598728274 /nfs/dbraw/zinc/72/82/74/598728274.db2.gz NIJMWCSJEUBAAV-UHFFFAOYSA-N -1 1 387.379 0.307 20 0 GCADMM Cc1nn(-c2ccccc2)c(COC(=O)C2(O)CCOCC2)c1-c1nn[n-]n1 ZINC000737502790 598780848 /nfs/dbraw/zinc/78/08/48/598780848.db2.gz APHOOUASARLYBQ-UHFFFAOYSA-N -1 1 384.396 0.946 20 0 GCADMM CN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736783141 598797062 /nfs/dbraw/zinc/79/70/62/598797062.db2.gz IYWZBICRKCZGCZ-UHFFFAOYSA-N -1 1 393.454 0.260 20 0 GCADMM CN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736783141 598797063 /nfs/dbraw/zinc/79/70/63/598797063.db2.gz IYWZBICRKCZGCZ-UHFFFAOYSA-N -1 1 393.454 0.260 20 0 GCADMM CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000735874970 598811195 /nfs/dbraw/zinc/81/11/95/598811195.db2.gz OGKCEILXTSVNCK-UHFFFAOYSA-N -1 1 383.412 0.544 20 0 GCADMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nc2ccccc2[nH]1 ZINC000736370366 598816529 /nfs/dbraw/zinc/81/65/29/598816529.db2.gz QAHUKSOOIBEUAI-VIFPVBQESA-N -1 1 381.400 0.704 20 0 GCADMM Cc1noc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n1 ZINC000737545018 598819540 /nfs/dbraw/zinc/81/95/40/598819540.db2.gz DGRLIANJLDIRHR-UHFFFAOYSA-N -1 1 382.388 0.467 20 0 GCADMM Cc1noc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n1 ZINC000737545018 598819542 /nfs/dbraw/zinc/81/95/42/598819542.db2.gz DGRLIANJLDIRHR-UHFFFAOYSA-N -1 1 382.388 0.467 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCC(=O)Nc2cc(F)cc(F)c2)c1=O ZINC000821565070 599301506 /nfs/dbraw/zinc/30/15/06/599301506.db2.gz BZTOUJQTDGULNX-UHFFFAOYSA-N -1 1 391.338 0.517 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCC(=O)NCc2ccc(F)cc2)c1=O ZINC000821565563 599302065 /nfs/dbraw/zinc/30/20/65/599302065.db2.gz ZBLKIPHXDRATRA-UHFFFAOYSA-N -1 1 387.375 0.056 20 0 GCADMM CC(C)(C)OC(=O)N(CC(=O)n1ncc(-c2nn[n-]n2)c1N)C[C@@H]1CCCO1 ZINC000819928259 599315427 /nfs/dbraw/zinc/31/54/27/599315427.db2.gz MPFSLHKIIYEECQ-JTQLQIEISA-N -1 1 392.420 0.702 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@H]1O ZINC000737486851 599315614 /nfs/dbraw/zinc/31/56/14/599315614.db2.gz FTEORTRAMOOHST-SWLSCSKDSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@H]1O ZINC000737486851 599315618 /nfs/dbraw/zinc/31/56/18/599315618.db2.gz FTEORTRAMOOHST-SWLSCSKDSA-N -1 1 384.444 0.736 20 0 GCADMM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000819802661 599336908 /nfs/dbraw/zinc/33/69/08/599336908.db2.gz HBXILMDPGZDLGQ-LLVKDONJSA-N -1 1 384.849 0.809 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(c2cnccn2)CC1 ZINC000823607019 599337168 /nfs/dbraw/zinc/33/71/68/599337168.db2.gz PEZLZIILQNMEBN-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(c2cnccn2)CC1 ZINC000823607019 599337171 /nfs/dbraw/zinc/33/71/71/599337171.db2.gz PEZLZIILQNMEBN-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=C(C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000822912368 599337235 /nfs/dbraw/zinc/33/72/35/599337235.db2.gz XLCUKIVJGMRWCA-UHFFFAOYSA-N -1 1 380.405 0.249 20 0 GCADMM O=C(C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000822912368 599337238 /nfs/dbraw/zinc/33/72/38/599337238.db2.gz XLCUKIVJGMRWCA-UHFFFAOYSA-N -1 1 380.405 0.249 20 0 GCADMM COC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821664603 599340755 /nfs/dbraw/zinc/34/07/55/599340755.db2.gz AGUBCMKJJDDJDM-UHFFFAOYSA-N -1 1 386.821 0.593 20 0 GCADMM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820293799 599344801 /nfs/dbraw/zinc/34/48/01/599344801.db2.gz OHGNHDINSFUYEL-QMMMGPOBSA-N -1 1 393.878 0.574 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC000821378496 599345965 /nfs/dbraw/zinc/34/59/65/599345965.db2.gz PJKZJYZSJHXGFP-LBPRGKRZSA-N -1 1 398.464 0.737 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC000821378496 599345974 /nfs/dbraw/zinc/34/59/74/599345974.db2.gz PJKZJYZSJHXGFP-LBPRGKRZSA-N -1 1 398.464 0.737 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@H](O)C(F)(F)F ZINC000737201790 599348655 /nfs/dbraw/zinc/34/86/55/599348655.db2.gz WFAHGRNJQHKOJX-JTQLQIEISA-N -1 1 388.350 0.946 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(-n2cccn2)cc1 ZINC000820449672 599356662 /nfs/dbraw/zinc/35/66/62/599356662.db2.gz ADMLPWKYOYITJX-NSHDSACASA-N -1 1 393.411 0.623 20 0 GCADMM O=C(CN1CCc2n[nH]cc2C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737885433 599358438 /nfs/dbraw/zinc/35/84/38/599358438.db2.gz ZTOUZMOACZNNEM-UHFFFAOYSA-N -1 1 390.411 0.772 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCN1CCOCC1 ZINC000737201047 599360370 /nfs/dbraw/zinc/36/03/70/599360370.db2.gz PSTVDEXMXFBDJP-UHFFFAOYSA-N -1 1 390.444 0.782 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](n2cncn2)C1 ZINC000823600861 599375513 /nfs/dbraw/zinc/37/55/13/599375513.db2.gz LFNMASGJSAVADK-JTQLQIEISA-N -1 1 378.393 0.623 20 0 GCADMM COC(=O)[C@@](C)(NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CC1 ZINC000736887905 599380872 /nfs/dbraw/zinc/38/08/72/599380872.db2.gz JFVUQGVCZPOPBV-SFHVURJKSA-N -1 1 388.428 0.975 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000738259563 599388386 /nfs/dbraw/zinc/38/83/86/599388386.db2.gz RKWWGSAFBNGWPO-UHFFFAOYSA-N -1 1 395.427 0.870 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000738259563 599388387 /nfs/dbraw/zinc/38/83/87/599388387.db2.gz RKWWGSAFBNGWPO-UHFFFAOYSA-N -1 1 395.427 0.870 20 0 GCADMM O=S(=O)(c1cccs1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738357895 599397035 /nfs/dbraw/zinc/39/70/35/599397035.db2.gz TYXXVBFMBUGFBY-UHFFFAOYSA-N -1 1 377.455 0.834 20 0 GCADMM O=S(=O)(c1cccs1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738357895 599397038 /nfs/dbraw/zinc/39/70/38/599397038.db2.gz TYXXVBFMBUGFBY-UHFFFAOYSA-N -1 1 377.455 0.834 20 0 GCADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000736226252 599398228 /nfs/dbraw/zinc/39/82/28/599398228.db2.gz WBVCALIQDMVEDI-GJZGRUSLSA-N -1 1 384.488 0.888 20 0 GCADMM c1ccc(-n2nnnc2N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000738425776 599405658 /nfs/dbraw/zinc/40/56/58/599405658.db2.gz NRHYEBAKPGNITR-UHFFFAOYSA-N -1 1 375.400 0.564 20 0 GCADMM c1ccc(-n2nnnc2N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000738425776 599405661 /nfs/dbraw/zinc/40/56/61/599405661.db2.gz NRHYEBAKPGNITR-UHFFFAOYSA-N -1 1 375.400 0.564 20 0 GCADMM O=S(=O)(C1CCOCC1)N1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738318260 599443430 /nfs/dbraw/zinc/44/34/30/599443430.db2.gz PIDYZJYPLNFDCB-UHFFFAOYSA-N -1 1 393.473 0.647 20 0 GCADMM O=S(=O)(C1CCOCC1)N1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738318260 599443433 /nfs/dbraw/zinc/44/34/33/599443433.db2.gz PIDYZJYPLNFDCB-UHFFFAOYSA-N -1 1 393.473 0.647 20 0 GCADMM C[C@H]1CN(c2ccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cc2)CCO1 ZINC000736291597 599472221 /nfs/dbraw/zinc/47/22/21/599472221.db2.gz GBPBBHWDTGSZEM-NSHDSACASA-N -1 1 398.427 0.233 20 0 GCADMM COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821691560 599492916 /nfs/dbraw/zinc/49/29/16/599492916.db2.gz YTBOFIKQVFOQDC-ZDUSSCGKSA-N -1 1 376.373 0.962 20 0 GCADMM COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821691560 599492917 /nfs/dbraw/zinc/49/29/17/599492917.db2.gz YTBOFIKQVFOQDC-ZDUSSCGKSA-N -1 1 376.373 0.962 20 0 GCADMM Cc1cc(C)n(-c2ccc(N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)nn2)n1 ZINC000737257726 599518789 /nfs/dbraw/zinc/51/87/89/599518789.db2.gz XLFCWYCYTQXEPA-UHFFFAOYSA-N -1 1 394.447 0.834 20 0 GCADMM Cc1c(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cnn1-c1ccccc1F ZINC000822128372 607383785 /nfs/dbraw/zinc/38/37/85/607383785.db2.gz BOZFTNJADDJARP-UHFFFAOYSA-N -1 1 397.374 0.641 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000737199516 599571659 /nfs/dbraw/zinc/57/16/59/599571659.db2.gz HKMVZBUFYGAZLT-VIFPVBQESA-N -1 1 394.457 0.162 20 0 GCADMM CCc1ccc([C@H](COC)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000821480747 599584997 /nfs/dbraw/zinc/58/49/97/599584997.db2.gz DLXCCAIVGALBHD-JTQLQIEISA-N -1 1 375.389 0.219 20 0 GCADMM CNC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736873837 599593963 /nfs/dbraw/zinc/59/39/63/599593963.db2.gz MQZQLEBGACDTMX-UHFFFAOYSA-N -1 1 378.336 0.252 20 0 GCADMM O=C(COC(=O)CNc1ccc(-c2nn[nH]n2)cc1)[N-]C(=O)c1ccccc1 ZINC000823017970 599658342 /nfs/dbraw/zinc/65/83/42/599658342.db2.gz FWLWOXSRQZUUKX-UHFFFAOYSA-N -1 1 380.364 0.778 20 0 GCADMM COc1ccc(C2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000821787598 599685709 /nfs/dbraw/zinc/68/57/09/599685709.db2.gz VTMAPDVEDTZOAL-UHFFFAOYSA-N -1 1 397.439 0.657 20 0 GCADMM O=C(CN1C[C@H]2CC[C@@H](C1)O2)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822991819 599691426 /nfs/dbraw/zinc/69/14/26/599691426.db2.gz GPGWANLCBTVOAC-OKILXGFUSA-N -1 1 380.412 0.854 20 0 GCADMM O=C(CN1C[C@H]2CC[C@@H](C1)O2)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822991819 599691427 /nfs/dbraw/zinc/69/14/27/599691427.db2.gz GPGWANLCBTVOAC-OKILXGFUSA-N -1 1 380.412 0.854 20 0 GCADMM Cc1cc(CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)no1 ZINC000822199620 599696903 /nfs/dbraw/zinc/69/69/03/599696903.db2.gz BFACCTPUOVVSAA-UHFFFAOYSA-N -1 1 384.400 0.920 20 0 GCADMM Cc1cc(N2CCCN(CC(=O)N3CCCC3)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000738405732 599705603 /nfs/dbraw/zinc/70/56/03/599705603.db2.gz ADTDTOWXNMJDNM-UHFFFAOYSA-N -1 1 387.444 0.265 20 0 GCADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000736215479 599712273 /nfs/dbraw/zinc/71/22/73/599712273.db2.gz OKXGDHHXLMVWCG-JLSDUUJJSA-N -1 1 375.469 0.921 20 0 GCADMM 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HVDKEHYPQJCBKG-MWLCHTKSSA-N -1 1 397.461 0.027 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc3c(cnn3C(F)F)c2)n(C)c1=O ZINC000826355759 607565283 /nfs/dbraw/zinc/56/52/83/607565283.db2.gz MFHDAEDQDKUBPC-UHFFFAOYSA-N -1 1 389.326 0.753 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCc2c[nH]nc2C1 ZINC000826328468 607569333 /nfs/dbraw/zinc/56/93/33/607569333.db2.gz RZTPFUJNVBUAAJ-UHFFFAOYSA-N -1 1 392.427 0.767 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCc2c[nH]nc2C1 ZINC000826328468 607569334 /nfs/dbraw/zinc/56/93/34/607569334.db2.gz RZTPFUJNVBUAAJ-UHFFFAOYSA-N -1 1 392.427 0.767 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccco1 ZINC000826437697 607582795 /nfs/dbraw/zinc/58/27/95/607582795.db2.gz XOGVXWYMARQEPE-UHFFFAOYSA-N -1 1 380.361 0.307 20 0 GCADMM NC(=O)Nc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826392542 607582821 /nfs/dbraw/zinc/58/28/21/607582821.db2.gz CABLLPWVLLMSLG-UHFFFAOYSA-N -1 1 391.388 0.975 20 0 GCADMM O=S(=O)(NC[C@@H]1COCCO1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490604 607594569 /nfs/dbraw/zinc/59/45/69/607594569.db2.gz ATOWGNNPGGKSLY-SECBINFHSA-N -1 1 393.347 0.579 20 0 GCADMM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826483003 607598228 /nfs/dbraw/zinc/59/82/28/607598228.db2.gz XFNREOUCSMVWPK-NSHDSACASA-N -1 1 395.420 0.184 20 0 GCADMM NC(=O)C1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCCC1 ZINC000826389746 607599250 /nfs/dbraw/zinc/59/92/50/607599250.db2.gz HNSOQDUBEOHXTI-UHFFFAOYSA-N -1 1 384.849 0.987 20 0 GCADMM NC(=O)C1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCCC1 ZINC000826389746 607599251 /nfs/dbraw/zinc/59/92/51/607599251.db2.gz HNSOQDUBEOHXTI-UHFFFAOYSA-N -1 1 384.849 0.987 20 0 GCADMM CNC(=O)C1CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826051418 607600598 /nfs/dbraw/zinc/60/05/98/607600598.db2.gz LJPQWQATHMZWSM-UHFFFAOYSA-N -1 1 382.421 0.589 20 0 GCADMM CNC(=O)C1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826051418 607600599 /nfs/dbraw/zinc/60/05/99/607600599.db2.gz LJPQWQATHMZWSM-UHFFFAOYSA-N -1 1 382.421 0.589 20 0 GCADMM C[C@](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)(C(N)=O)c1ccccc1 ZINC000824640127 607601562 /nfs/dbraw/zinc/60/15/62/607601562.db2.gz ASORRJBAKCTXFV-MRXNPFEDSA-N -1 1 390.400 0.685 20 0 GCADMM CN1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1=O ZINC000826016842 607603100 /nfs/dbraw/zinc/60/31/00/607603100.db2.gz GSTRHDVKNAKUGE-MRVPVSSYSA-N -1 1 390.347 0.395 20 0 GCADMM Cc1cc(S(N)(=O)=O)sc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826272514 607604740 /nfs/dbraw/zinc/60/47/40/607604740.db2.gz NTAGVKJIFQTWFB-UHFFFAOYSA-N -1 1 380.411 0.636 20 0 GCADMM CC(C)C(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824177262 607605766 /nfs/dbraw/zinc/60/57/66/607605766.db2.gz FWTFOKQQFUEJPZ-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CC(C)C(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824177262 607605768 /nfs/dbraw/zinc/60/57/68/607605768.db2.gz FWTFOKQQFUEJPZ-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824108021 607609753 /nfs/dbraw/zinc/60/97/53/607609753.db2.gz ARYZQSGJVUPQTK-CYBMUJFWSA-N -1 1 390.400 0.941 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824108021 607609755 /nfs/dbraw/zinc/60/97/55/607609755.db2.gz ARYZQSGJVUPQTK-CYBMUJFWSA-N -1 1 390.400 0.941 20 0 GCADMM C[C@H]([C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000824640211 607610110 /nfs/dbraw/zinc/61/01/10/607610110.db2.gz CWSLKGFCQRAENX-WDEREUQCSA-N -1 1 384.437 0.393 20 0 GCADMM O=C1CCCCN1CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826479991 607610621 /nfs/dbraw/zinc/61/06/21/607610621.db2.gz OCJSFFIYFZFIAQ-UHFFFAOYSA-N -1 1 382.421 0.687 20 0 GCADMM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826157922 607610683 /nfs/dbraw/zinc/61/06/83/607610683.db2.gz RKCBHKNLTYDMSN-QMMMGPOBSA-N -1 1 388.837 0.031 20 0 GCADMM CNS(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1F ZINC000826090014 607611548 /nfs/dbraw/zinc/61/15/48/607611548.db2.gz BRALNUBVSULIQP-UHFFFAOYSA-N -1 1 392.372 0.666 20 0 GCADMM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826497245 607614289 /nfs/dbraw/zinc/61/42/89/607614289.db2.gz ZMFVRIIIZZCSJJ-QMMMGPOBSA-N -1 1 391.862 0.376 20 0 GCADMM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826497245 607614290 /nfs/dbraw/zinc/61/42/90/607614290.db2.gz ZMFVRIIIZZCSJJ-QMMMGPOBSA-N -1 1 391.862 0.376 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCCC1 ZINC000824342170 607616027 /nfs/dbraw/zinc/61/60/27/607616027.db2.gz LWTFZSJUACFALI-AWEZNQCLSA-N -1 1 396.448 0.931 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)N1CCCC1 ZINC000824342170 607616028 /nfs/dbraw/zinc/61/60/28/607616028.db2.gz LWTFZSJUACFALI-AWEZNQCLSA-N -1 1 396.448 0.931 20 0 GCADMM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000825750849 607616549 /nfs/dbraw/zinc/61/65/49/607616549.db2.gz YTFONBGAVQGHEK-VIFPVBQESA-N -1 1 392.420 0.453 20 0 GCADMM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000825750849 607616550 /nfs/dbraw/zinc/61/65/50/607616550.db2.gz YTFONBGAVQGHEK-VIFPVBQESA-N -1 1 392.420 0.453 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825838584 607616631 /nfs/dbraw/zinc/61/66/31/607616631.db2.gz AGRVLEXVKSOOIL-PWSUYJOCSA-N -1 1 396.448 0.931 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825838724 607616886 /nfs/dbraw/zinc/61/68/86/607616886.db2.gz BMVZJQATLICFTI-QWRGUYRKSA-N -1 1 396.448 0.931 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825838724 607616888 /nfs/dbraw/zinc/61/68/88/607616888.db2.gz BMVZJQATLICFTI-QWRGUYRKSA-N -1 1 396.448 0.931 20 0 GCADMM CN1CCN(c2cc(CNC(=O)N[C@H]3CCCN(C(=O)[O-])C3)ccn2)CC1 ZINC000737528715 603250142 /nfs/dbraw/zinc/25/01/42/603250142.db2.gz MHWRNOKIIWPCGJ-HNNXBMFYSA-N -1 1 376.461 0.775 20 0 GCADMM CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824123584 607617905 /nfs/dbraw/zinc/61/79/05/607617905.db2.gz GUWPTJMEHILQII-QHCPKHFHSA-N -1 1 375.451 0.831 20 0 GCADMM CC(C)(C)[S@](=O)CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824123583 607618118 /nfs/dbraw/zinc/61/81/18/607618118.db2.gz GUWPTJMEHILQII-HSZRJFAPSA-N -1 1 375.451 0.831 20 0 GCADMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824857080 607619897 /nfs/dbraw/zinc/61/98/97/607619897.db2.gz AEWCFRFIKCKMNG-BDAKNGLRSA-N -1 1 389.434 0.202 20 0 GCADMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824857080 607619899 /nfs/dbraw/zinc/61/98/99/607619899.db2.gz AEWCFRFIKCKMNG-BDAKNGLRSA-N -1 1 389.434 0.202 20 0 GCADMM COc1cc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1O ZINC000826179081 607623747 /nfs/dbraw/zinc/62/37/47/607623747.db2.gz YPHIAPKSTRFDGR-UHFFFAOYSA-N -1 1 376.398 0.497 20 0 GCADMM COc1cc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1O ZINC000826179081 607623748 /nfs/dbraw/zinc/62/37/48/607623748.db2.gz YPHIAPKSTRFDGR-UHFFFAOYSA-N -1 1 376.398 0.497 20 0 GCADMM CC(C)COC[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824272025 607625979 /nfs/dbraw/zinc/62/59/79/607625979.db2.gz SOISUXKHZIBNIT-JTQLQIEISA-N -1 1 389.865 0.832 20 0 GCADMM CC(C)COC[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824272025 607625980 /nfs/dbraw/zinc/62/59/80/607625980.db2.gz SOISUXKHZIBNIT-JTQLQIEISA-N -1 1 389.865 0.832 20 0 GCADMM O=S(=O)(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489280 607627435 /nfs/dbraw/zinc/62/74/35/607627435.db2.gz LNPLIHOPMDJISQ-ZDUSSCGKSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489280 607627436 /nfs/dbraw/zinc/62/74/36/607627436.db2.gz LNPLIHOPMDJISQ-ZDUSSCGKSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(N[C@H](CO)c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487501 607628550 /nfs/dbraw/zinc/62/85/50/607628550.db2.gz QGDXVZIEDCJBGM-CYBMUJFWSA-N -1 1 382.352 0.552 20 0 GCADMM O=S(=O)(N[C@H](CO)c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487501 607628551 /nfs/dbraw/zinc/62/85/51/607628551.db2.gz QGDXVZIEDCJBGM-CYBMUJFWSA-N -1 1 382.352 0.552 20 0 GCADMM O=S(=O)(NC[C@@]1(O)CCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489870 607634677 /nfs/dbraw/zinc/63/46/77/607634677.db2.gz CAJKDQREJKWXGP-KRWDZBQOSA-N -1 1 386.437 0.764 20 0 GCADMM O=S(=O)(NC[C@@]1(O)CCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489870 607634678 /nfs/dbraw/zinc/63/46/78/607634678.db2.gz CAJKDQREJKWXGP-KRWDZBQOSA-N -1 1 386.437 0.764 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H](OCCO)C1 ZINC000826495666 607635318 /nfs/dbraw/zinc/63/53/18/607635318.db2.gz WKDDMOMQNCIBTB-JTQLQIEISA-N -1 1 387.849 0.682 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H](OCCO)C1 ZINC000826495666 607635319 /nfs/dbraw/zinc/63/53/19/607635319.db2.gz WKDDMOMQNCIBTB-JTQLQIEISA-N -1 1 387.849 0.682 20 0 GCADMM COC[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826148265 607635963 /nfs/dbraw/zinc/63/59/63/607635963.db2.gz DKOYUBQJHXWDKP-GFCCVEGCSA-N -1 1 395.363 0.561 20 0 GCADMM CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000825582753 607643744 /nfs/dbraw/zinc/64/37/44/607643744.db2.gz MPWINOLEVLTIEO-KBPBESRZSA-N -1 1 394.457 0.202 20 0 GCADMM CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000825582753 607643746 /nfs/dbraw/zinc/64/37/46/607643746.db2.gz MPWINOLEVLTIEO-KBPBESRZSA-N -1 1 394.457 0.202 20 0 GCADMM C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824391021 607645339 /nfs/dbraw/zinc/64/53/39/607645339.db2.gz GFDOTUSOAPVMOH-ZCFIWIBFSA-N -1 1 378.336 0.428 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](O)c1cccc(F)c1 ZINC000824641633 607661937 /nfs/dbraw/zinc/66/19/37/607661937.db2.gz XXMCBWNDXHSJAW-LKFCYVNXSA-N -1 1 378.389 0.801 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](O)c1cccc(F)c1 ZINC000824641633 607661939 /nfs/dbraw/zinc/66/19/39/607661939.db2.gz XXMCBWNDXHSJAW-LKFCYVNXSA-N -1 1 378.389 0.801 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)c1cccc(F)c1 ZINC000824641635 607662104 /nfs/dbraw/zinc/66/21/04/607662104.db2.gz XXMCBWNDXHSJAW-XPTSAGLGSA-N -1 1 378.389 0.801 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)c1cccc(F)c1 ZINC000824641635 607662106 /nfs/dbraw/zinc/66/21/06/607662106.db2.gz XXMCBWNDXHSJAW-XPTSAGLGSA-N -1 1 378.389 0.801 20 0 GCADMM CS(=O)(=O)CC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826222160 607663131 /nfs/dbraw/zinc/66/31/31/607663131.db2.gz LNSFECFLDSESNB-UHFFFAOYSA-N -1 1 389.434 0.109 20 0 GCADMM Cc1nc2n(n1)CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC000826328829 607665168 /nfs/dbraw/zinc/66/51/68/607665168.db2.gz FSNFVQZWDYRDDW-UHFFFAOYSA-N -1 1 380.821 0.625 20 0 GCADMM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826328728 607666431 /nfs/dbraw/zinc/66/64/31/607666431.db2.gz AQDCZKLPUWWCKA-LLVKDONJSA-N -1 1 378.393 0.719 20 0 GCADMM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824440613 607667115 /nfs/dbraw/zinc/66/71/15/607667115.db2.gz HAWKUQNTMYNXCC-UWVGGRQHSA-N -1 1 387.849 0.992 20 0 GCADMM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824440613 607667116 /nfs/dbraw/zinc/66/71/16/607667116.db2.gz HAWKUQNTMYNXCC-UWVGGRQHSA-N -1 1 387.849 0.992 20 0 GCADMM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000826393489 607668456 /nfs/dbraw/zinc/66/84/56/607668456.db2.gz UQUOKWUXLNJVIV-UHFFFAOYSA-N -1 1 393.816 0.493 20 0 GCADMM O=S(=O)(NCCCO[C@H]1CCOC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490704 607669949 /nfs/dbraw/zinc/66/99/49/607669949.db2.gz DRHNNNMXWRBSME-JTQLQIEISA-N -1 1 387.849 0.994 20 0 GCADMM O=S(=O)(NCCCO[C@H]1CCOC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490704 607669951 /nfs/dbraw/zinc/66/99/51/607669951.db2.gz DRHNNNMXWRBSME-JTQLQIEISA-N -1 1 387.849 0.994 20 0 GCADMM O=S(=O)(CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC1CC1 ZINC000826485093 607675420 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605046818 /nfs/dbraw/zinc/04/68/18/605046818.db2.gz UQDGMPDWGJPFFU-AWEZNQCLSA-N -1 1 397.497 0.922 20 0 GCADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833620810 605056361 /nfs/dbraw/zinc/05/63/61/605056361.db2.gz XYTQCZMPTOKMRP-YCPHGPKFSA-N -1 1 380.489 0.824 20 0 GCADMM CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000833487285 605071848 /nfs/dbraw/zinc/07/18/48/605071848.db2.gz IEMFEGSGVNQDEM-GPANFISMSA-N -1 1 384.473 0.894 20 0 GCADMM COc1cc2c(cc1OC)CN(CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])CC2 ZINC000833730379 605076006 /nfs/dbraw/zinc/07/60/06/605076006.db2.gz WIQUNFQEFUUYTA-HNNXBMFYSA-N -1 1 388.424 0.597 20 0 GCADMM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C2=O ZINC000833560142 605079894 /nfs/dbraw/zinc/07/98/94/605079894.db2.gz BCBAHZSLTLRDDV-SGTLLEGYSA-N -1 1 391.428 0.412 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000833624412 605100272 /nfs/dbraw/zinc/10/02/72/605100272.db2.gz 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CC(C)[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)N1CCCS1(=O)=O ZINC000833465150 605159668 /nfs/dbraw/zinc/15/96/68/605159668.db2.gz HLSLLELACRQKPQ-HIFRSBDPSA-N -1 1 375.491 0.054 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000833618575 605164325 /nfs/dbraw/zinc/16/43/25/605164325.db2.gz DAZAAIUKUGQMBS-XJKSGUPXSA-N -1 1 387.440 0.114 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000833625685 605165951 /nfs/dbraw/zinc/16/59/51/605165951.db2.gz XHWDAQCKUTWNPX-WMZOPIPTSA-N -1 1 375.469 0.895 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000833625679 605166054 /nfs/dbraw/zinc/16/60/54/605166054.db2.gz XHWDAQCKUTWNPX-AEFFLSMTSA-N -1 1 375.469 0.895 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000833626581 605166359 /nfs/dbraw/zinc/16/63/59/605166359.db2.gz PPZGPABLEZPUDM-ZDUSSCGKSA-N -1 1 388.424 0.466 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000833628437 605199453 /nfs/dbraw/zinc/19/94/53/605199453.db2.gz IFMCTTALWRXZBP-MRXNPFEDSA-N -1 1 385.468 0.969 20 0 GCADMM CNC(=O)[C@H](NC(=O)CN1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000833699386 605201342 /nfs/dbraw/zinc/20/13/42/605201342.db2.gz NIOFPWUVTDKVQB-RDTXWAMCSA-N -1 1 376.457 0.071 20 0 GCADMM CNC(=O)[C@H](NC(=O)CN1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000833699383 605201427 /nfs/dbraw/zinc/20/14/27/605201427.db2.gz NIOFPWUVTDKVQB-KBXCAEBGSA-N -1 1 376.457 0.071 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000833627518 605206700 /nfs/dbraw/zinc/20/67/00/605206700.db2.gz XDAZIXFTTLVPOJ-CYBMUJFWSA-N -1 1 388.424 0.359 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CCN1CCC(=O)[O-] ZINC000833622845 605256818 /nfs/dbraw/zinc/25/68/18/605256818.db2.gz OXWMEAVDGIGEEU-LLVKDONJSA-N -1 1 386.246 0.618 20 0 GCADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc(S(N)(=O)=O)c1C ZINC000833742413 605277775 /nfs/dbraw/zinc/27/77/75/605277775.db2.gz MTOVSSUVNMIDQB-LBPRGKRZSA-N -1 1 383.470 0.572 20 0 GCADMM C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CCN1CCC(=O)[O-] ZINC000833632945 605279979 /nfs/dbraw/zinc/27/99/79/605279979.db2.gz BAIMBFHBUBUARY-KGLIPLIRSA-N -1 1 387.440 0.332 20 0 GCADMM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823972662 607746073 /nfs/dbraw/zinc/74/60/73/607746073.db2.gz DUVXXNOYCJEXIT-JOYOIKCWSA-N -1 1 382.421 0.541 20 0 GCADMM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823972662 607746074 /nfs/dbraw/zinc/74/60/74/607746074.db2.gz DUVXXNOYCJEXIT-JOYOIKCWSA-N -1 1 382.421 0.541 20 0 GCADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)c3ccc(C(=O)[O-])nc3)CC2)C1 ZINC000604961806 605306085 /nfs/dbraw/zinc/30/60/85/605306085.db2.gz ILXCJEKNFVGMHX-MRXNPFEDSA-N -1 1 376.457 0.647 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000826425150 607752010 /nfs/dbraw/zinc/75/20/10/607752010.db2.gz RMTCGORXXZQBRX-STQMWFEESA-N -1 1 386.416 0.946 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000826425148 607752040 /nfs/dbraw/zinc/75/20/40/607752040.db2.gz RMTCGORXXZQBRX-OLZOCXBDSA-N -1 1 386.416 0.946 20 0 GCADMM C[C@@H]1CN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CCN1CCC(=O)[O-] ZINC000833618222 605528685 /nfs/dbraw/zinc/52/86/85/605528685.db2.gz MEXLFVMOGQZYHO-LYRGGWFBSA-N -1 1 393.465 0.698 20 0 GCADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825204482 607764242 /nfs/dbraw/zinc/76/42/42/607764242.db2.gz RGHNJWKTFIUOHQ-MFKMUULPSA-N -1 1 387.448 0.759 20 0 GCADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825204482 607764243 /nfs/dbraw/zinc/76/42/43/607764243.db2.gz RGHNJWKTFIUOHQ-MFKMUULPSA-N -1 1 387.448 0.759 20 0 GCADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000833709655 605768094 /nfs/dbraw/zinc/76/80/94/605768094.db2.gz UINWUYSXPLOYJX-RQJHMYQMSA-N -1 1 377.469 0.784 20 0 GCADMM COCCN1CC[C@H](NC(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])C1 ZINC000833724106 605923271 /nfs/dbraw/zinc/92/32/71/605923271.db2.gz GPWXXOKKPRQHHV-NSHDSACASA-N -1 1 395.412 0.177 20 0 GCADMM CO[C@H](C)c1noc(CN2CCCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC000821674967 606103102 /nfs/dbraw/zinc/10/31/02/606103102.db2.gz AGHKUZZNYQWZPP-LLVKDONJSA-N -1 1 386.420 0.459 20 0 GCADMM CO[C@H](C)c1noc(CN2CCCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC000821674967 606103103 /nfs/dbraw/zinc/10/31/03/606103103.db2.gz AGHKUZZNYQWZPP-LLVKDONJSA-N -1 1 386.420 0.459 20 0 GCADMM CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821447747 606123035 /nfs/dbraw/zinc/12/30/35/606123035.db2.gz KNZXGASRGYBDCS-GYHOXLMVSA-N -1 1 384.487 0.620 20 0 GCADMM CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821447747 606123037 /nfs/dbraw/zinc/12/30/37/606123037.db2.gz KNZXGASRGYBDCS-GYHOXLMVSA-N -1 1 384.487 0.620 20 0 GCADMM Cc1oc(NC(=O)COC(=O)[C@H](C)CS(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000822548457 606131434 /nfs/dbraw/zinc/13/14/34/606131434.db2.gz LBOOZBPDDQFOGL-SSDOTTSWSA-N -1 1 385.402 0.239 20 0 GCADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)CS(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000822548466 606131445 /nfs/dbraw/zinc/13/14/45/606131445.db2.gz LBOOZBPDDQFOGL-ZETCQYMHSA-N -1 1 385.402 0.239 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000819789756 606132383 /nfs/dbraw/zinc/13/23/83/606132383.db2.gz XCRFUPJYGFKTCH-QGZVFWFLSA-N -1 1 390.400 0.817 20 0 GCADMM COCCOC1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821692155 606134688 /nfs/dbraw/zinc/13/46/88/606134688.db2.gz POLVDXGMOGUOIL-UHFFFAOYSA-N -1 1 376.417 0.391 20 0 GCADMM CN(Cc1cnn(-c2ccccc2)n1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821616870 606157006 /nfs/dbraw/zinc/15/70/06/606157006.db2.gz LORVSXWUGIHOOV-UHFFFAOYSA-N -1 1 379.388 0.845 20 0 GCADMM CN(Cc1cnn(-c2ccccc2)n1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821616870 606157007 /nfs/dbraw/zinc/15/70/07/606157007.db2.gz LORVSXWUGIHOOV-UHFFFAOYSA-N -1 1 379.388 0.845 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)n1 ZINC000822608280 606157560 /nfs/dbraw/zinc/15/75/60/606157560.db2.gz CHQYTZSYQSJUHM-UHFFFAOYSA-N -1 1 387.448 0.857 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)n1 ZINC000822608280 606157562 /nfs/dbraw/zinc/15/75/62/606157562.db2.gz CHQYTZSYQSJUHM-UHFFFAOYSA-N -1 1 387.448 0.857 20 0 GCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC000820380790 606162092 /nfs/dbraw/zinc/16/20/92/606162092.db2.gz ZYECYQVVXGRSIB-VIFPVBQESA-N -1 1 390.429 0.886 20 0 GCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(S(C)(=O)=O)cc1 ZINC000820380790 606162094 /nfs/dbraw/zinc/16/20/94/606162094.db2.gz ZYECYQVVXGRSIB-VIFPVBQESA-N -1 1 390.429 0.886 20 0 GCADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)n1 ZINC000821713208 606163009 /nfs/dbraw/zinc/16/30/09/606163009.db2.gz RLSQSFQDHGZGGV-UHFFFAOYSA-N -1 1 376.402 0.588 20 0 GCADMM CCOC(=O)N(C)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821335173 606163895 /nfs/dbraw/zinc/16/38/95/606163895.db2.gz ZQAPDBHMSZRHRV-UHFFFAOYSA-N -1 1 377.409 0.685 20 0 GCADMM CCOC(=O)N(C)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821335173 606163896 /nfs/dbraw/zinc/16/38/96/606163896.db2.gz ZQAPDBHMSZRHRV-UHFFFAOYSA-N -1 1 377.409 0.685 20 0 GCADMM CN(C)C(=O)c1cccc(CCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821579782 606164018 /nfs/dbraw/zinc/16/40/18/606164018.db2.gz NOLHXRQNRWDTPF-UHFFFAOYSA-N -1 1 383.416 0.666 20 0 GCADMM CN(C)C(=O)c1cccc(CCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821579782 606164019 /nfs/dbraw/zinc/16/40/19/606164019.db2.gz NOLHXRQNRWDTPF-UHFFFAOYSA-N -1 1 383.416 0.666 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCN2C(=O)c3ccccc3C2=O)n1 ZINC000822613688 606164228 /nfs/dbraw/zinc/16/42/28/606164228.db2.gz FTVFYAFUNKCYRL-UHFFFAOYSA-N -1 1 381.356 0.018 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCN2C(=O)c3ccccc3C2=O)n1 ZINC000822613688 606164230 /nfs/dbraw/zinc/16/42/30/606164230.db2.gz FTVFYAFUNKCYRL-UHFFFAOYSA-N -1 1 381.356 0.018 20 0 GCADMM C[C@H](c1cccnc1)N1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820570909 606164969 /nfs/dbraw/zinc/16/49/69/606164969.db2.gz TYURWCBQGUDIKX-GFCCVEGCSA-N -1 1 382.432 0.906 20 0 GCADMM COC(=O)[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000821640718 606167154 /nfs/dbraw/zinc/16/71/54/606167154.db2.gz NLMGALIODODWKA-GFCCVEGCSA-N -1 1 384.400 0.987 20 0 GCADMM COC(=O)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000821640718 606167155 /nfs/dbraw/zinc/16/71/55/606167155.db2.gz NLMGALIODODWKA-GFCCVEGCSA-N -1 1 384.400 0.987 20 0 GCADMM CCc1cc(N2CCC(NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)ncn1 ZINC000821471150 606173021 /nfs/dbraw/zinc/17/30/21/606173021.db2.gz VWGBZTLDFGHEBJ-UHFFFAOYSA-N -1 1 397.447 0.743 20 0 GCADMM CCc1cc(N2CCC(NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)ncn1 ZINC000821471150 606173022 /nfs/dbraw/zinc/17/30/22/606173022.db2.gz VWGBZTLDFGHEBJ-UHFFFAOYSA-N -1 1 397.447 0.743 20 0 GCADMM CCOc1cccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000821430864 606173081 /nfs/dbraw/zinc/17/30/81/606173081.db2.gz GUPHPDVRPBYHJU-UHFFFAOYSA-N -1 1 398.431 0.748 20 0 GCADMM CCOc1cccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000821430864 606173082 /nfs/dbraw/zinc/17/30/82/606173082.db2.gz GUPHPDVRPBYHJU-UHFFFAOYSA-N -1 1 398.431 0.748 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(-n3ccnc3)nc2)c1 ZINC000821667018 606203799 /nfs/dbraw/zinc/20/37/99/606203799.db2.gz QJWLOXXJIZPNLN-UHFFFAOYSA-N -1 1 378.352 0.444 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCc3c2cnn3C(C)(C)C)n(C)c1=O ZINC000822601408 606224995 /nfs/dbraw/zinc/22/49/95/606224995.db2.gz ZDSYHKPASDRFGQ-LLVKDONJSA-N -1 1 399.459 0.705 20 0 GCADMM COc1ccccc1C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)C ZINC000821889958 606241929 /nfs/dbraw/zinc/24/19/29/606241929.db2.gz HZKCFEKHBRHNQW-CYBMUJFWSA-N -1 1 399.455 0.952 20 0 GCADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000819865434 606297085 /nfs/dbraw/zinc/29/70/85/606297085.db2.gz FLXVHXUVJSPJJE-VIFPVBQESA-N -1 1 385.384 0.764 20 0 GCADMM COCCCOC1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821687809 606299290 /nfs/dbraw/zinc/29/92/90/606299290.db2.gz PUCIWRWWPGZJAM-UHFFFAOYSA-N -1 1 380.430 0.567 20 0 GCADMM C[C@@]1(C2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613297 606301679 /nfs/dbraw/zinc/30/16/79/606301679.db2.gz ZHYVUAJCQPYPAU-SFHVURJKSA-N -1 1 393.411 0.624 20 0 GCADMM C[C@@]1(C2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613297 606301682 /nfs/dbraw/zinc/30/16/82/606301682.db2.gz ZHYVUAJCQPYPAU-SFHVURJKSA-N -1 1 393.411 0.624 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccn(CC(F)F)n2)c1-c1nnn[n-]1 ZINC000822907296 606383300 /nfs/dbraw/zinc/38/33/00/606383300.db2.gz GKQURVDISWDIHZ-UHFFFAOYSA-N -1 1 381.351 0.388 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccn(CC(F)F)n2)c1-c1nn[n-]n1 ZINC000822907296 606383301 /nfs/dbraw/zinc/38/33/01/606383301.db2.gz GKQURVDISWDIHZ-UHFFFAOYSA-N -1 1 381.351 0.388 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(c3cccc(F)c3)CC2)n(C)c1=O ZINC000822600402 606426439 /nfs/dbraw/zinc/42/64/39/606426439.db2.gz NHMNCFNCOZGHHA-UHFFFAOYSA-N -1 1 385.403 0.787 20 0 GCADMM COc1cc(OC)cc(-n2nnnc2CN(C)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000821724396 606430247 /nfs/dbraw/zinc/43/02/47/606430247.db2.gz URCYWDWQQFXXFN-UHFFFAOYSA-N -1 1 394.399 0.891 20 0 GCADMM COc1cc(OC)cc(-n2nnnc2CN(C)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000821724396 606430248 /nfs/dbraw/zinc/43/02/48/606430248.db2.gz URCYWDWQQFXXFN-UHFFFAOYSA-N -1 1 394.399 0.891 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2c(F)c(F)cc(F)c2F)n(C)c1=O ZINC000822601047 606431020 /nfs/dbraw/zinc/43/10/20/606431020.db2.gz STEFJFMHKFYJMQ-UHFFFAOYSA-N -1 1 385.281 0.433 20 0 GCADMM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](CC)CN1C(C)=O ZINC000820995628 606433575 /nfs/dbraw/zinc/43/35/75/606433575.db2.gz VDQLHMVMXRTYKD-STQMWFEESA-N -1 1 393.473 0.672 20 0 GCADMM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](CC)CN1C(C)=O ZINC000820995628 606433577 /nfs/dbraw/zinc/43/35/77/606433577.db2.gz VDQLHMVMXRTYKD-STQMWFEESA-N -1 1 393.473 0.672 20 0 GCADMM Cc1cc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n2ncnc2n1 ZINC000822207147 606450506 /nfs/dbraw/zinc/45/05/06/606450506.db2.gz MMWOTBXGYGWRLM-UHFFFAOYSA-N -1 1 397.834 0.988 20 0 GCADMM Cc1cc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n2ncnc2n1 ZINC000822207147 606450508 /nfs/dbraw/zinc/45/05/08/606450508.db2.gz MMWOTBXGYGWRLM-UHFFFAOYSA-N -1 1 397.834 0.988 20 0 GCADMM CS(=O)(=O)NC[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821936445 606454037 /nfs/dbraw/zinc/45/40/37/606454037.db2.gz AEXIUCCDQYUCSS-ZETCQYMHSA-N -1 1 377.883 0.742 20 0 GCADMM CS(=O)(=O)NC[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821936445 606454039 /nfs/dbraw/zinc/45/40/39/606454039.db2.gz AEXIUCCDQYUCSS-ZETCQYMHSA-N -1 1 377.883 0.742 20 0 GCADMM NC(=O)c1ccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)nc1 ZINC000822885444 606457977 /nfs/dbraw/zinc/45/79/77/606457977.db2.gz PRPZOOLUFQFRSL-UHFFFAOYSA-N -1 1 385.819 0.736 20 0 GCADMM NC(=O)c1ccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)nc1 ZINC000822885444 606457978 /nfs/dbraw/zinc/45/79/78/606457978.db2.gz PRPZOOLUFQFRSL-UHFFFAOYSA-N -1 1 385.819 0.736 20 0 GCADMM Cn1c(=O)c2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cnc2n(C)c1=O ZINC000822596645 606498958 /nfs/dbraw/zinc/49/89/58/606498958.db2.gz PCGBMFXDAFPOEY-UHFFFAOYSA-N -1 1 384.381 0.126 20 0 GCADMM Cn1c(=O)c2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cnc2n(C)c1=O ZINC000822596645 606498960 /nfs/dbraw/zinc/49/89/60/606498960.db2.gz PCGBMFXDAFPOEY-UHFFFAOYSA-N -1 1 384.381 0.126 20 0 GCADMM O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823220000 606512393 /nfs/dbraw/zinc/51/23/93/606512393.db2.gz WKZDOULQCOFUDS-UHFFFAOYSA-N -1 1 392.466 0.778 20 0 GCADMM O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823220000 606512395 /nfs/dbraw/zinc/51/23/95/606512395.db2.gz WKZDOULQCOFUDS-UHFFFAOYSA-N -1 1 392.466 0.778 20 0 GCADMM COC(=O)C[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000821660585 606521105 /nfs/dbraw/zinc/52/11/05/606521105.db2.gz WXLLBQCYQLHSLI-LLVKDONJSA-N -1 1 378.389 0.279 20 0 GCADMM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OCC(N)=O ZINC000821717255 606527807 /nfs/dbraw/zinc/52/78/07/606527807.db2.gz MTSPAJXFIYEIPS-UHFFFAOYSA-N -1 1 388.409 0.731 20 0 GCADMM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OCC(N)=O ZINC000821717255 606527809 /nfs/dbraw/zinc/52/78/09/606527809.db2.gz MTSPAJXFIYEIPS-UHFFFAOYSA-N -1 1 388.409 0.731 20 0 GCADMM C[C@]1(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000820628630 606545393 /nfs/dbraw/zinc/54/53/93/606545393.db2.gz JYTPPUPKOPPPDX-QGZVFWFLSA-N -1 1 397.420 0.913 20 0 GCADMM C[C@]1(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000820628630 606545395 /nfs/dbraw/zinc/54/53/95/606545395.db2.gz JYTPPUPKOPPPDX-QGZVFWFLSA-N -1 1 397.420 0.913 20 0 GCADMM COC(=O)[C@@]1(F)CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821653723 606545845 /nfs/dbraw/zinc/54/58/45/606545845.db2.gz ITBZDXNEYLFWCH-QGZVFWFLSA-N -1 1 392.391 0.630 20 0 GCADMM CC(=O)N1CCN([C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@H]2C)CC1 ZINC000819796765 606550726 /nfs/dbraw/zinc/55/07/26/606550726.db2.gz OJSQVBJWDFUTNB-YPMHNXCESA-N -1 1 389.485 0.553 20 0 GCADMM CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821441471 606556720 /nfs/dbraw/zinc/55/67/20/606556720.db2.gz LUJNPMSLRJVQNT-UHFFFAOYSA-N -1 1 384.487 0.814 20 0 GCADMM CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821441471 606556721 /nfs/dbraw/zinc/55/67/21/606556721.db2.gz LUJNPMSLRJVQNT-UHFFFAOYSA-N -1 1 384.487 0.814 20 0 GCADMM CC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@H](CC)CN1C(C)=O ZINC000820989730 606579304 /nfs/dbraw/zinc/57/93/04/606579304.db2.gz ZQCKHUDJYMPQKZ-VXGBXAGGSA-N -1 1 375.437 0.853 20 0 GCADMM CC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@H](CC)CN1C(C)=O ZINC000820989730 606579305 /nfs/dbraw/zinc/57/93/05/606579305.db2.gz ZQCKHUDJYMPQKZ-VXGBXAGGSA-N -1 1 375.437 0.853 20 0 GCADMM COc1cc(OC)cc(N2C[C@H](C(=O)n3ncc(-c4nn[n-]n4)c3N)CC2=O)c1 ZINC000821724060 606583771 /nfs/dbraw/zinc/58/37/71/606583771.db2.gz OTJOBVXDQFUGCM-SECBINFHSA-N -1 1 398.383 0.356 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCOC1 ZINC000822458192 606586127 /nfs/dbraw/zinc/58/61/27/606586127.db2.gz DDHAFDANXCJIEB-CYBMUJFWSA-N -1 1 384.444 0.954 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCOC1 ZINC000822458192 606586128 /nfs/dbraw/zinc/58/61/28/606586128.db2.gz DDHAFDANXCJIEB-CYBMUJFWSA-N -1 1 384.444 0.954 20 0 GCADMM COc1ccc(C(=O)NCCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821772485 606597442 /nfs/dbraw/zinc/59/74/42/606597442.db2.gz BGKXWUZBTBRMID-UHFFFAOYSA-N -1 1 385.388 0.160 20 0 GCADMM COc1ccc(C(=O)NCCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821772485 606597443 /nfs/dbraw/zinc/59/74/43/606597443.db2.gz BGKXWUZBTBRMID-UHFFFAOYSA-N -1 1 385.388 0.160 20 0 GCADMM Cc1nn(-c2ccccc2)c(Cn2nnc3c(cnn3C)c2=O)c1-c1nn[n-]n1 ZINC000822486490 606627012 /nfs/dbraw/zinc/62/70/12/606627012.db2.gz LPLPQSDPUYDLPU-UHFFFAOYSA-N -1 1 389.383 0.248 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000821970448 606635134 /nfs/dbraw/zinc/63/51/34/606635134.db2.gz OASRZBZJPLFCIX-IUCAKERBSA-N -1 1 380.430 0.613 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)CO[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000821970446 606635319 /nfs/dbraw/zinc/63/53/19/606635319.db2.gz OASRZBZJPLFCIX-BDAKNGLRSA-N -1 1 380.430 0.613 20 0 GCADMM CS(=O)(=O)N1CCC[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)C1 ZINC000821931984 606637859 /nfs/dbraw/zinc/63/78/59/606637859.db2.gz IBDHDMXTMHLCCG-GFCCVEGCSA-N -1 1 388.453 0.853 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000819884434 606650071 /nfs/dbraw/zinc/65/00/71/606650071.db2.gz WSSYOROJMPKBBE-RTXFEEFZSA-N -1 1 384.396 0.869 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000819884434 606650072 /nfs/dbraw/zinc/65/00/72/606650072.db2.gz WSSYOROJMPKBBE-RTXFEEFZSA-N -1 1 384.396 0.869 20 0 GCADMM CCNS(=O)(=O)c1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821292789 606653233 /nfs/dbraw/zinc/65/32/33/606653233.db2.gz CZTHFUDEIWLGSO-UHFFFAOYSA-N -1 1 388.409 0.917 20 0 GCADMM CCNS(=O)(=O)c1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821292789 606653234 /nfs/dbraw/zinc/65/32/34/606653234.db2.gz CZTHFUDEIWLGSO-UHFFFAOYSA-N -1 1 388.409 0.917 20 0 GCADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820295093 606683842 /nfs/dbraw/zinc/68/38/42/606683842.db2.gz XZOYBSBPUQOILJ-SECBINFHSA-N -1 1 393.404 0.788 20 0 GCADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820295093 606683843 /nfs/dbraw/zinc/68/38/43/606683843.db2.gz XZOYBSBPUQOILJ-SECBINFHSA-N -1 1 393.404 0.788 20 0 GCADMM C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC(=O)[N-]OCc1ccccc1 ZINC000821600358 606700238 /nfs/dbraw/zinc/70/02/38/606700238.db2.gz JGTGXXVGQBDTNQ-UHFFFAOYSA-N -1 1 385.432 0.284 20 0 GCADMM C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC(=O)[N-]OCc1ccccc1 ZINC000821600358 606700240 /nfs/dbraw/zinc/70/02/40/606700240.db2.gz JGTGXXVGQBDTNQ-UHFFFAOYSA-N -1 1 385.432 0.284 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC(C)(C)Oc3ccccc32)n(C)c1=O ZINC000822601059 606726741 /nfs/dbraw/zinc/72/67/41/606726741.db2.gz SYSFXMWJUILENZ-LLVKDONJSA-N -1 1 383.412 0.978 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000820385423 606726999 /nfs/dbraw/zinc/72/69/99/606726999.db2.gz RUBKQJGEHDFXCC-MNOVXSKESA-N -1 1 376.421 0.775 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000820385423 606727000 /nfs/dbraw/zinc/72/70/00/606727000.db2.gz RUBKQJGEHDFXCC-MNOVXSKESA-N -1 1 376.421 0.775 20 0 GCADMM Cc1oc(NC(=O)CN2CCC(S(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000822549045 606754294 /nfs/dbraw/zinc/75/42/94/606754294.db2.gz SXURQMKKYVNSML-UHFFFAOYSA-N -1 1 382.446 0.524 20 0 GCADMM CCOC(=O)C[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821325515 606758418 /nfs/dbraw/zinc/75/84/18/606758418.db2.gz GKHAGBDXTGZDBY-VIFPVBQESA-N -1 1 376.417 0.975 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccccn1 ZINC000820788261 606762874 /nfs/dbraw/zinc/76/28/74/606762874.db2.gz BUXKLFHKWWWIAL-CYBMUJFWSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccccn1 ZINC000820788261 606762875 /nfs/dbraw/zinc/76/28/75/606762875.db2.gz BUXKLFHKWWWIAL-CYBMUJFWSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCC(F)(F)F ZINC000820789034 606764673 /nfs/dbraw/zinc/76/46/73/606764673.db2.gz UFCHMSVUQSZUQF-QMMMGPOBSA-N -1 1 387.395 0.604 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCC(F)(F)F ZINC000820789034 606764674 /nfs/dbraw/zinc/76/46/74/606764674.db2.gz UFCHMSVUQSZUQF-QMMMGPOBSA-N -1 1 387.395 0.604 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC[C@H]1CCCO1 ZINC000820788238 606764685 /nfs/dbraw/zinc/76/46/85/606764685.db2.gz BHMOKRVNMJIYTE-NWDGAFQWSA-N -1 1 389.489 0.221 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC[C@H]1CCCO1 ZINC000820788238 606764686 /nfs/dbraw/zinc/76/46/86/606764686.db2.gz BHMOKRVNMJIYTE-NWDGAFQWSA-N -1 1 389.489 0.221 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C3(C)CC3)CC2)o1 ZINC000822423889 606766741 /nfs/dbraw/zinc/76/67/41/606766741.db2.gz QHAMOSMHZFTQCQ-UHFFFAOYSA-N -1 1 375.389 0.155 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1CC2(CCCC2)CC1=O ZINC000820803891 606769042 /nfs/dbraw/zinc/76/90/42/606769042.db2.gz JJYIEXOICDSPHV-AWEZNQCLSA-N -1 1 397.487 0.917 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1CC2(CCCC2)CC1=O ZINC000820803891 606769043 /nfs/dbraw/zinc/76/90/43/606769043.db2.gz JJYIEXOICDSPHV-AWEZNQCLSA-N -1 1 397.487 0.917 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000820803608 606769223 /nfs/dbraw/zinc/76/92/23/606769223.db2.gz DBXNRUMIDSQKQB-QLFBSQMISA-N -1 1 397.487 0.916 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000820803608 606769224 /nfs/dbraw/zinc/76/92/24/606769224.db2.gz DBXNRUMIDSQKQB-QLFBSQMISA-N -1 1 397.487 0.916 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C(=O)C(C)(C)C1(C)C ZINC000820804566 606769507 /nfs/dbraw/zinc/76/95/07/606769507.db2.gz VDTAIQNGPBBYDT-LBPRGKRZSA-N -1 1 385.476 0.772 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C(=O)C(C)(C)C1(C)C ZINC000820804566 606769508 /nfs/dbraw/zinc/76/95/08/606769508.db2.gz VDTAIQNGPBBYDT-LBPRGKRZSA-N -1 1 385.476 0.772 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCSCCCO ZINC000822005996 606774154 /nfs/dbraw/zinc/77/41/54/606774154.db2.gz WKTSAMQNDSMVTF-UHFFFAOYSA-N -1 1 380.474 0.749 20 0 GCADMM CO[C@H](C)c1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000821675530 606779064 /nfs/dbraw/zinc/77/90/64/606779064.db2.gz NPTBBKCQTYIWPC-WDEREUQCSA-N -1 1 386.420 0.458 20 0 GCADMM CO[C@H](C)c1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000821675530 606779066 /nfs/dbraw/zinc/77/90/66/606779066.db2.gz NPTBBKCQTYIWPC-WDEREUQCSA-N -1 1 386.420 0.458 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC(C1CC1)C1CC1 ZINC000820788265 606779271 /nfs/dbraw/zinc/77/92/71/606779271.db2.gz BWCDREIQFNQLLN-GFCCVEGCSA-N -1 1 397.487 0.472 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC(C1CC1)C1CC1 ZINC000820788265 606779274 /nfs/dbraw/zinc/77/92/74/606779274.db2.gz BWCDREIQFNQLLN-GFCCVEGCSA-N -1 1 397.487 0.472 20 0 GCADMM CC(C)CN(C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CC1 ZINC000820081528 606781635 /nfs/dbraw/zinc/78/16/35/606781635.db2.gz KHAQUNSQVIBWSR-AWEZNQCLSA-N -1 1 399.503 0.814 20 0 GCADMM CC(C)CN(C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CC1 ZINC000820081528 606781636 /nfs/dbraw/zinc/78/16/36/606781636.db2.gz KHAQUNSQVIBWSR-AWEZNQCLSA-N -1 1 399.503 0.814 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCC1CCCCC1 ZINC000820788385 606782055 /nfs/dbraw/zinc/78/20/55/606782055.db2.gz FXYIKUAXBUPLBF-AWEZNQCLSA-N -1 1 399.503 0.864 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCC1CCCCC1 ZINC000820788385 606782057 /nfs/dbraw/zinc/78/20/57/606782057.db2.gz FXYIKUAXBUPLBF-AWEZNQCLSA-N -1 1 399.503 0.864 20 0 GCADMM CCCCn1nnnc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821083025 606783718 /nfs/dbraw/zinc/78/37/18/606783718.db2.gz RTCPWBPTFGLJPS-GFCCVEGCSA-N -1 1 384.452 0.154 20 0 GCADMM CCCCn1nnnc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821083025 606783719 /nfs/dbraw/zinc/78/37/19/606783719.db2.gz RTCPWBPTFGLJPS-GFCCVEGCSA-N -1 1 384.452 0.154 20 0 GCADMM COCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000821696012 606784039 /nfs/dbraw/zinc/78/40/39/606784039.db2.gz RMYYEEZQCZQDAX-LLVKDONJSA-N -1 1 387.473 0.970 20 0 GCADMM COCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000821696012 606784041 /nfs/dbraw/zinc/78/40/41/606784041.db2.gz RMYYEEZQCZQDAX-LLVKDONJSA-N -1 1 387.473 0.970 20 0 GCADMM COC[C@H](C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821682010 606790904 /nfs/dbraw/zinc/79/09/04/606790904.db2.gz XYOLCCALCAPNJU-NEPJUHHUSA-N -1 1 375.437 0.159 20 0 GCADMM COC[C@H](C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821682010 606790905 /nfs/dbraw/zinc/79/09/05/606790905.db2.gz XYOLCCALCAPNJU-NEPJUHHUSA-N -1 1 375.437 0.159 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1CCCCO1 ZINC000820788670 606794158 /nfs/dbraw/zinc/79/41/58/606794158.db2.gz LYBXDEHHFXSZCF-STQMWFEESA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1CCCCO1 ZINC000820788670 606794160 /nfs/dbraw/zinc/79/41/60/606794160.db2.gz LYBXDEHHFXSZCF-STQMWFEESA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccc(O)c1 ZINC000820789075 606794464 /nfs/dbraw/zinc/79/44/64/606794464.db2.gz VHRVPDCFKSDXBM-GFCCVEGCSA-N -1 1 395.427 0.783 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccc(O)c1 ZINC000820789075 606794465 /nfs/dbraw/zinc/79/44/65/606794465.db2.gz VHRVPDCFKSDXBM-GFCCVEGCSA-N -1 1 395.427 0.783 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1CCCS1 ZINC000820788550 606795247 /nfs/dbraw/zinc/79/52/47/606795247.db2.gz JNJZVVULXYWWPK-NWDGAFQWSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1CCCS1 ZINC000820788550 606795249 /nfs/dbraw/zinc/79/52/49/606795249.db2.gz JNJZVVULXYWWPK-NWDGAFQWSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2c1cnn2C ZINC000820803911 606806960 /nfs/dbraw/zinc/80/69/60/606806960.db2.gz JPSPNZOHNWPALL-JTQLQIEISA-N -1 1 378.404 0.049 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2c1cnn2C ZINC000820803911 606806962 /nfs/dbraw/zinc/80/69/62/606806962.db2.gz JPSPNZOHNWPALL-JTQLQIEISA-N -1 1 378.404 0.049 20 0 GCADMM CCn1cnc2c1ncnc2N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821566908 606807387 /nfs/dbraw/zinc/80/73/87/606807387.db2.gz ZTACIVMANILMQQ-LLVKDONJSA-N -1 1 392.431 0.531 20 0 GCADMM CCn1cnc2c1ncnc2N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821566908 606807388 /nfs/dbraw/zinc/80/73/88/606807388.db2.gz ZTACIVMANILMQQ-LLVKDONJSA-N -1 1 392.431 0.531 20 0 GCADMM Cc1nc2c(cnn2C)c(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822449558 606807870 /nfs/dbraw/zinc/80/78/70/606807870.db2.gz DNHYBOGFHXWCPY-SNVBAGLBSA-N -1 1 392.431 0.357 20 0 GCADMM Cc1nc2c(cnn2C)c(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822449558 606807871 /nfs/dbraw/zinc/80/78/71/606807871.db2.gz DNHYBOGFHXWCPY-SNVBAGLBSA-N -1 1 392.431 0.357 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCO[C@@H]1CCOC1 ZINC000822004146 606811610 /nfs/dbraw/zinc/81/16/10/606811610.db2.gz BDAZOQGDASPFSO-CYBMUJFWSA-N -1 1 390.444 0.829 20 0 GCADMM COc1ccc(C[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1O ZINC000821790004 606817348 /nfs/dbraw/zinc/81/73/48/606817348.db2.gz DQOFJMXWQPXVTJ-GFCCVEGCSA-N -1 1 384.396 0.557 20 0 GCADMM COc1ccc(C[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1O ZINC000821790004 606817350 /nfs/dbraw/zinc/81/73/50/606817350.db2.gz DQOFJMXWQPXVTJ-GFCCVEGCSA-N -1 1 384.396 0.557 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccccc1F ZINC000820775379 606819505 /nfs/dbraw/zinc/81/95/05/606819505.db2.gz HUSCUMONPMUBDU-LBPRGKRZSA-N -1 1 398.402 0.912 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccccc1F ZINC000820775379 606819507 /nfs/dbraw/zinc/81/95/07/606819507.db2.gz HUSCUMONPMUBDU-LBPRGKRZSA-N -1 1 398.402 0.912 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822414817 606820596 /nfs/dbraw/zinc/82/05/96/606820596.db2.gz VZSHHHCFRHWKAG-SNVBAGLBSA-N -1 1 382.432 0.276 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822414817 606820597 /nfs/dbraw/zinc/82/05/97/606820597.db2.gz VZSHHHCFRHWKAG-SNVBAGLBSA-N -1 1 382.432 0.276 20 0 GCADMM COc1ccnc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821904182 606822556 /nfs/dbraw/zinc/82/25/56/606822556.db2.gz SJNJWIVTNFYZMK-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM COc1ccnc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821904182 606822558 /nfs/dbraw/zinc/82/25/58/606822558.db2.gz SJNJWIVTNFYZMK-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)c1 ZINC000820774909 606822982 /nfs/dbraw/zinc/82/29/82/606822982.db2.gz GYKKVBXRANJXQA-GFCCVEGCSA-N -1 1 382.432 0.060 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)c1 ZINC000820774909 606822983 /nfs/dbraw/zinc/82/29/83/606822983.db2.gz GYKKVBXRANJXQA-GFCCVEGCSA-N -1 1 382.432 0.060 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCNC(=O)C1CC1 ZINC000820775529 606823306 /nfs/dbraw/zinc/82/33/06/606823306.db2.gz IRKIDFAYVBGKFT-GFCCVEGCSA-N -1 1 399.459 0.000 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCNC(=O)C1CC1 ZINC000820775529 606823308 /nfs/dbraw/zinc/82/33/08/606823308.db2.gz IRKIDFAYVBGKFT-GFCCVEGCSA-N -1 1 399.459 0.000 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000820774436 606823331 /nfs/dbraw/zinc/82/33/31/606823331.db2.gz CVNPMAHITQSVTE-CYBMUJFWSA-N -1 1 396.459 0.714 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000820774436 606823333 /nfs/dbraw/zinc/82/33/33/606823333.db2.gz CVNPMAHITQSVTE-CYBMUJFWSA-N -1 1 396.459 0.714 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nn1C ZINC000820187551 606824214 /nfs/dbraw/zinc/82/42/14/606824214.db2.gz GXBMSIBTRGBLLU-GFCCVEGCSA-N -1 1 396.459 0.865 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nn1C ZINC000820187551 606824215 /nfs/dbraw/zinc/82/42/15/606824215.db2.gz GXBMSIBTRGBLLU-GFCCVEGCSA-N -1 1 396.459 0.865 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n(C)n1 ZINC000820187546 606824469 /nfs/dbraw/zinc/82/44/69/606824469.db2.gz GUGKRZOWEBKVGS-LBPRGKRZSA-N -1 1 396.459 0.865 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n(C)n1 ZINC000820187546 606824470 /nfs/dbraw/zinc/82/44/70/606824470.db2.gz GUGKRZOWEBKVGS-LBPRGKRZSA-N -1 1 396.459 0.865 20 0 GCADMM COCCOc1cccc(CNC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000821693813 606825220 /nfs/dbraw/zinc/82/52/20/606825220.db2.gz ONBUUIMKEQUYBB-UHFFFAOYSA-N -1 1 384.396 0.370 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cnccn1 ZINC000820775510 606831484 /nfs/dbraw/zinc/83/14/84/606831484.db2.gz INNQUGFGCOOLAW-ZZKXABKFSA-N -1 1 378.400 0.197 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cnccn1 ZINC000820775510 606831486 /nfs/dbraw/zinc/83/14/86/606831486.db2.gz INNQUGFGCOOLAW-ZZKXABKFSA-N -1 1 378.400 0.197 20 0 GCADMM CCNC(=O)CCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821286401 606831751 /nfs/dbraw/zinc/83/17/51/606831751.db2.gz RRUYCNSTDDGEMP-GFCCVEGCSA-N -1 1 387.448 0.000 20 0 GCADMM CCNC(=O)CCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821286401 606831752 /nfs/dbraw/zinc/83/17/52/606831752.db2.gz RRUYCNSTDDGEMP-GFCCVEGCSA-N -1 1 387.448 0.000 20 0 GCADMM Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)cn1 ZINC000822674199 606845958 /nfs/dbraw/zinc/84/59/58/606845958.db2.gz NJVZFFPAXAPECH-LLVKDONJSA-N -1 1 391.432 0.993 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823605709 606847237 /nfs/dbraw/zinc/84/72/37/606847237.db2.gz ACKHHRJXVUKYAE-NWDGAFQWSA-N -1 1 383.405 0.574 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823605709 606847239 /nfs/dbraw/zinc/84/72/39/606847239.db2.gz ACKHHRJXVUKYAE-NWDGAFQWSA-N -1 1 383.405 0.574 20 0 GCADMM CCC[C@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821016417 606848549 /nfs/dbraw/zinc/84/85/49/606848549.db2.gz WKTZBMCWXWMWII-STQMWFEESA-N -1 1 394.505 0.933 20 0 GCADMM CCC[C@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821016417 606848550 /nfs/dbraw/zinc/84/85/50/606848550.db2.gz WKTZBMCWXWMWII-STQMWFEESA-N -1 1 394.505 0.933 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccc(O)cc1 ZINC000820788529 606852651 /nfs/dbraw/zinc/85/26/51/606852651.db2.gz JHJSCWQFXJDILL-GFCCVEGCSA-N -1 1 395.427 0.512 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccc(O)cc1 ZINC000820788529 606852654 /nfs/dbraw/zinc/85/26/54/606852654.db2.gz JHJSCWQFXJDILL-GFCCVEGCSA-N -1 1 395.427 0.512 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1-c1nn[n-]n1 ZINC000821970222 606855738 /nfs/dbraw/zinc/85/57/38/606855738.db2.gz LVFNBQSVDJYHOT-NEPJUHHUSA-N -1 1 392.441 0.709 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1O ZINC000821858571 606855798 /nfs/dbraw/zinc/85/57/98/606855798.db2.gz GRNYVXGFZIIBDG-NSHDSACASA-N -1 1 396.411 0.722 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1O ZINC000821858571 606855799 /nfs/dbraw/zinc/85/57/99/606855799.db2.gz GRNYVXGFZIIBDG-NSHDSACASA-N -1 1 396.411 0.722 20 0 GCADMM O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572747 606873901 /nfs/dbraw/zinc/87/39/01/606873901.db2.gz LOMJGJBRVAWDBT-UKRRQHHQSA-N -1 1 393.473 0.183 20 0 GCADMM O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572747 606873903 /nfs/dbraw/zinc/87/39/03/606873903.db2.gz LOMJGJBRVAWDBT-UKRRQHHQSA-N -1 1 393.473 0.183 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000820776663 606901859 /nfs/dbraw/zinc/90/18/59/606901859.db2.gz MFMQWQQRMWXJBP-NEPJUHHUSA-N -1 1 394.443 0.537 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000820776663 606901861 /nfs/dbraw/zinc/90/18/61/606901861.db2.gz MFMQWQQRMWXJBP-NEPJUHHUSA-N -1 1 394.443 0.537 20 0 GCADMM CC(=O)N1CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)[C@@H](C)C1 ZINC000819796456 606932906 /nfs/dbraw/zinc/93/29/06/606932906.db2.gz JDWZOVCEGYTYQW-JTQLQIEISA-N -1 1 387.444 0.596 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)OC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822542081 606935280 /nfs/dbraw/zinc/93/52/80/606935280.db2.gz URQMNFFKDKLBOJ-KOLCDFICSA-N -1 1 375.389 0.540 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)OC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822542080 606935294 /nfs/dbraw/zinc/93/52/94/606935294.db2.gz URQMNFFKDKLBOJ-GXSJLCMTSA-N -1 1 375.389 0.540 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(Cc3ccccc3Cl)C2)n(C)c1=O ZINC000822601287 606947478 /nfs/dbraw/zinc/94/74/78/606947478.db2.gz XFZSFAFEBJYWLN-UHFFFAOYSA-N -1 1 387.831 0.596 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1csc(=O)[nH]1 ZINC000822459506 606969909 /nfs/dbraw/zinc/96/99/09/606969909.db2.gz QKELLBTVWKIWHJ-UHFFFAOYSA-N -1 1 399.440 0.937 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1csc(=O)[nH]1 ZINC000822459506 606969910 /nfs/dbraw/zinc/96/99/10/606969910.db2.gz QKELLBTVWKIWHJ-UHFFFAOYSA-N -1 1 399.440 0.937 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821969953 607020630 /nfs/dbraw/zinc/02/06/30/607020630.db2.gz HFVRCAQQTWUEJI-WDEREUQCSA-N -1 1 389.441 0.572 20 0 GCADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820956684 607033021 /nfs/dbraw/zinc/03/30/21/607033021.db2.gz JVIFYHFCPRUNRJ-GHMZBOCLSA-N -1 1 377.449 0.294 20 0 GCADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820236058 607041234 /nfs/dbraw/zinc/04/12/34/607041234.db2.gz WNKNSSZQCQVLHK-BXKDBHETSA-N -1 1 389.391 0.327 20 0 GCADMM C[C@H](O)C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000820473769 607046126 /nfs/dbraw/zinc/04/61/26/607046126.db2.gz LNKKBTCQLWAODT-WCQYABFASA-N -1 1 385.428 0.231 20 0 GCADMM Cc1cc(=O)[nH]cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822159539 607047986 /nfs/dbraw/zinc/04/79/86/607047986.db2.gz ASVYTUVIASPBNR-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM Cc1cc(=O)[nH]cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822159539 607047988 /nfs/dbraw/zinc/04/79/88/607047988.db2.gz ASVYTUVIASPBNR-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000822540419 607084808 /nfs/dbraw/zinc/08/48/08/607084808.db2.gz APXDEOQPCYDDMQ-NSHDSACASA-N -1 1 390.425 0.866 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000822540419 607084810 /nfs/dbraw/zinc/08/48/10/607084810.db2.gz APXDEOQPCYDDMQ-NSHDSACASA-N -1 1 390.425 0.866 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@@H](C)[S@](C)=O ZINC000822006094 607098937 /nfs/dbraw/zinc/09/89/37/607098937.db2.gz XVPSXWQNOUPQBC-BGGANLFTSA-N -1 1 380.474 0.790 20 0 GCADMM Cn1ccnc1[C@](O)(CC(=O)Nc1ncc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000822694196 607104769 /nfs/dbraw/zinc/10/47/69/607104769.db2.gz YMNIKEARHHKKRM-LLVKDONJSA-N -1 1 388.335 0.835 20 0 GCADMM Cn1ccnc1[C@](O)(CC(=O)Nc1ncc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000822694196 607104770 /nfs/dbraw/zinc/10/47/70/607104770.db2.gz YMNIKEARHHKKRM-LLVKDONJSA-N -1 1 388.335 0.835 20 0 GCADMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822986299 607105287 /nfs/dbraw/zinc/10/52/87/607105287.db2.gz CGLPBXRDEYABKU-UHFFFAOYSA-N -1 1 384.381 0.768 20 0 GCADMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822986299 607105288 /nfs/dbraw/zinc/10/52/88/607105288.db2.gz CGLPBXRDEYABKU-UHFFFAOYSA-N -1 1 384.381 0.768 20 0 GCADMM C[C@]1(c2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000820628643 607106421 /nfs/dbraw/zinc/10/64/21/607106421.db2.gz KFFIFKGSYRIOLH-OAHLLOKOSA-N -1 1 384.381 0.630 20 0 GCADMM C[C@]1(c2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000820628643 607106423 /nfs/dbraw/zinc/10/64/23/607106423.db2.gz KFFIFKGSYRIOLH-OAHLLOKOSA-N -1 1 384.381 0.630 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821138938 607109283 /nfs/dbraw/zinc/10/92/83/607109283.db2.gz LJQWFHANBHWMDR-VIFPVBQESA-N -1 1 385.475 0.856 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821138938 607109284 /nfs/dbraw/zinc/10/92/84/607109284.db2.gz LJQWFHANBHWMDR-VIFPVBQESA-N -1 1 385.475 0.856 20 0 GCADMM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820925743 607109718 /nfs/dbraw/zinc/10/97/18/607109718.db2.gz LDWJEIKLZJMTAD-SNVBAGLBSA-N -1 1 397.428 0.550 20 0 GCADMM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820925743 607109719 /nfs/dbraw/zinc/10/97/19/607109719.db2.gz LDWJEIKLZJMTAD-SNVBAGLBSA-N -1 1 397.428 0.550 20 0 GCADMM CCS[C@H](C)c1noc(Cn2c(=O)c(-c3nn[n-]n3)cn(CC)c2=O)n1 ZINC000821446627 607160781 /nfs/dbraw/zinc/16/07/81/607160781.db2.gz BMIUATXNWIRDEK-MRVPVSSYSA-N -1 1 378.418 0.455 20 0 GCADMM CSCC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nnc2ccccn21 ZINC000821960656 607205670 /nfs/dbraw/zinc/20/56/70/607205670.db2.gz CGLVTKRCZMKTES-JTQLQIEISA-N -1 1 399.444 0.112 20 0 GCADMM CC(C)OC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000820142276 607205676 /nfs/dbraw/zinc/20/56/76/607205676.db2.gz IZSCCAKKJIOPEE-ZDUSSCGKSA-N -1 1 384.400 0.657 20 0 GCADMM CCOc1cc2c(cc1OCC)CN(C(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000821400809 607205700 /nfs/dbraw/zinc/20/57/00/607205700.db2.gz PRPGEASJFLXRJB-UHFFFAOYSA-N -1 1 398.427 0.841 20 0 GCADMM CN(C)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC000821580012 607205886 /nfs/dbraw/zinc/20/58/86/607205886.db2.gz WIVIBCCDBCQNQO-GFCCVEGCSA-N -1 1 375.824 0.531 20 0 GCADMM Cn1ccnc1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000822694151 607206036 /nfs/dbraw/zinc/20/60/36/607206036.db2.gz XCPIWOAUWVWZMO-ZDUSSCGKSA-N -1 1 398.818 0.751 20 0 GCADMM COc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nccn1C ZINC000821882765 607206303 /nfs/dbraw/zinc/20/63/03/607206303.db2.gz KELPAMWHACJWHO-CQSZACIVSA-N -1 1 394.399 0.106 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1ccc(F)c(Br)c1 ZINC000823131705 607209973 /nfs/dbraw/zinc/20/99/73/607209973.db2.gz MFRZCJVNEPSCKY-UHFFFAOYSA-N -1 1 395.196 0.719 20 0 GCADMM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821138952 607210110 /nfs/dbraw/zinc/21/01/10/607210110.db2.gz LRNRKIGDGQZRLJ-LBPRGKRZSA-N -1 1 397.443 0.486 20 0 GCADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC[C@H]2CCCO2)c1 ZINC000822248617 607210854 /nfs/dbraw/zinc/21/08/54/607210854.db2.gz HFEBPGPHNNCEEW-GFCCVEGCSA-N -1 1 384.400 0.963 20 0 GCADMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819933314 607210968 /nfs/dbraw/zinc/21/09/68/607210968.db2.gz NGOPYWSBBWNMCZ-NSHDSACASA-N -1 1 391.436 0.364 20 0 GCADMM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820814062 607211065 /nfs/dbraw/zinc/21/10/65/607211065.db2.gz QTMKCKZFKLZYIU-ZDUSSCGKSA-N -1 1 393.455 0.900 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(N2CCCCC2=O)cc1 ZINC000823131912 607211152 /nfs/dbraw/zinc/21/11/52/607211152.db2.gz QILRGCCURLIHPP-UHFFFAOYSA-N -1 1 381.400 0.292 20 0 GCADMM COCCOc1c(Cl)cccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821692758 607211511 /nfs/dbraw/zinc/21/15/11/607211511.db2.gz ASTVTSSLKIUHPX-UHFFFAOYSA-N -1 1 378.780 0.776 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2cc(Br)ccc21 ZINC000823127251 607211798 /nfs/dbraw/zinc/21/17/98/607211798.db2.gz XPZIOCONLSAQTD-UHFFFAOYSA-N -1 1 375.190 0.810 20 0 GCADMM C[C@]1(c2cccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c2)NC(=O)NC1=O ZINC000820636580 607211975 /nfs/dbraw/zinc/21/19/75/607211975.db2.gz URLNWVVGALGCQB-GOSISDBHSA-N -1 1 393.363 0.879 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819933047 607212461 /nfs/dbraw/zinc/21/24/61/607212461.db2.gz DEMWTZOKDMTMOG-LLVKDONJSA-N -1 1 391.436 0.222 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000823127121 607212960 /nfs/dbraw/zinc/21/29/60/607212960.db2.gz UDASLAWACFQAPO-QWRGUYRKSA-N -1 1 389.217 0.893 20 0 GCADMM COC(=O)CSCc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821662751 607214027 /nfs/dbraw/zinc/21/40/27/607214027.db2.gz RFYVPJUSIQTDTN-UHFFFAOYSA-N -1 1 388.413 0.503 20 0 GCADMM C[C@@H](c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1)N1CCOCC1 ZINC000820562066 607214088 /nfs/dbraw/zinc/21/40/88/607214088.db2.gz DJVSDIWLSAUVKN-LBPRGKRZSA-N -1 1 383.416 0.490 20 0 GCADMM COc1ccc(C(C)(C)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC000821772705 607215351 /nfs/dbraw/zinc/21/53/51/607215351.db2.gz MKKTUJBSLLKGSD-UHFFFAOYSA-N -1 1 386.416 0.569 20 0 GCADMM NC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1N1CCCCC1 ZINC000822885683 607216999 /nfs/dbraw/zinc/21/69/99/607216999.db2.gz SIHQVRULSOOYDG-UHFFFAOYSA-N -1 1 396.415 0.186 20 0 GCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000821572146 607217625 /nfs/dbraw/zinc/21/76/25/607217625.db2.gz SVDGOMILFGKHOP-CYBMUJFWSA-N -1 1 381.400 0.112 20 0 GCADMM COc1cccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)c1 ZINC000821871802 607217636 /nfs/dbraw/zinc/21/76/36/607217636.db2.gz DUQDADNAXKKEPH-LBPRGKRZSA-N -1 1 383.416 0.252 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nccn1Cc1ccccc1Cl ZINC000823136098 607217860 /nfs/dbraw/zinc/21/78/60/607217860.db2.gz JVVDDNAOWAPZOL-UHFFFAOYSA-N -1 1 384.791 0.995 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000823131539 607217909 /nfs/dbraw/zinc/21/79/09/607217909.db2.gz IXPPPMOUZDPEFN-UHFFFAOYSA-N -1 1 386.763 0.478 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000823122987 607218522 /nfs/dbraw/zinc/21/85/22/607218522.db2.gz JXHSRMGILASUGI-OAHLLOKOSA-N -1 1 386.391 0.570 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000823136207 607218534 /nfs/dbraw/zinc/21/85/34/607218534.db2.gz OLZRVBFPWRRWKT-ZIAGYGMSSA-N -1 1 384.400 0.779 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820734157 607218765 /nfs/dbraw/zinc/21/87/65/607218765.db2.gz LKJKQVKZDSNNLA-QWRGUYRKSA-N -1 1 391.436 0.220 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823126605 607219074 /nfs/dbraw/zinc/21/90/74/607219074.db2.gz KBWOUDKJXUFGJY-NSHDSACASA-N -1 1 387.791 0.033 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819939652 607219366 /nfs/dbraw/zinc/21/93/66/607219366.db2.gz HRCUJFUVAYGKNN-GHMZBOCLSA-N -1 1 391.436 0.268 20 0 GCADMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821164286 607219425 /nfs/dbraw/zinc/21/94/25/607219425.db2.gz AJOHDHGOSKLXBQ-UHFFFAOYSA-N -1 1 383.416 0.562 20 0 GCADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1N1CCOC1=O ZINC000821831693 607220343 /nfs/dbraw/zinc/22/03/43/607220343.db2.gz JNYGRWZDIHXSME-UHFFFAOYSA-N -1 1 385.344 0.062 20 0 GCADMM COc1cccc(-c2noc([C@@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC000821854701 607220373 /nfs/dbraw/zinc/22/03/73/607220373.db2.gz SARUZBUUYVTCDR-SECBINFHSA-N -1 1 396.371 0.394 20 0 GCADMM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821653941 607220986 /nfs/dbraw/zinc/22/09/86/607220986.db2.gz PESOSPUEPSPTEW-STQMWFEESA-N -1 1 388.432 0.429 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000823176385 607221792 /nfs/dbraw/zinc/22/17/92/607221792.db2.gz SOADPUKHFIMPGS-CYBMUJFWSA-N -1 1 395.427 0.127 20 0 GCADMM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820087418 607221804 /nfs/dbraw/zinc/22/18/04/607221804.db2.gz RJMJQOGBTAOCJY-CQSZACIVSA-N -1 1 388.407 0.816 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC(OCCCOc2ccccc2)C1 ZINC000823122813 607221845 /nfs/dbraw/zinc/22/18/45/607221845.db2.gz ISEXQVKHFNRSEK-UHFFFAOYSA-N -1 1 384.400 0.155 20 0 GCADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC[C@@H]2CCOC2)c1 ZINC000822237180 607222352 /nfs/dbraw/zinc/22/23/52/607222352.db2.gz INAQICDNKFUAAN-CYBMUJFWSA-N -1 1 398.427 0.498 20 0 GCADMM CCNc1ccc(C(=O)OCC)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821308931 607222971 /nfs/dbraw/zinc/22/29/71/607222971.db2.gz HWMBLOFQYSBCFT-UHFFFAOYSA-N -1 1 385.388 0.705 20 0 GCADMM Cc1cc(-c2noc([C@@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)ccc1F ZINC000822151246 607223909 /nfs/dbraw/zinc/22/39/09/607223909.db2.gz AEGRYCBBKFTHCB-SECBINFHSA-N -1 1 398.362 0.833 20 0 GCADMM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819946864 607224009 /nfs/dbraw/zinc/22/40/09/607224009.db2.gz UMYRIHLQAQUMCA-ZDUSSCGKSA-N -1 1 398.427 0.527 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000823127024 607224523 /nfs/dbraw/zinc/22/45/23/607224523.db2.gz QYRRIGCHATYTAG-JTQLQIEISA-N -1 1 398.305 0.207 20 0 GCADMM Cn1cc(-c2nc3ccccn3c2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000822605069 607240409 /nfs/dbraw/zinc/24/04/09/607240409.db2.gz XBWIUSPKCJVZPB-UHFFFAOYSA-N -1 1 390.371 0.145 20 0 GCADMM O=S(=O)(N[C@@H]1CCCCC12OCCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487917 607792102 /nfs/dbraw/zinc/79/21/02/607792102.db2.gz DJNVYLVWSYYUDP-GFCCVEGCSA-N -1 1 383.405 0.970 20 0 GCADMM O=S(=O)(N[C@@H]1CCCCC12OCCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487917 607792103 /nfs/dbraw/zinc/79/21/03/607792103.db2.gz DJNVYLVWSYYUDP-GFCCVEGCSA-N -1 1 383.405 0.970 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)[C@H]3CC3(C)C)CC2)o1 ZINC000826322746 607805728 /nfs/dbraw/zinc/80/57/28/607805728.db2.gz AIJBIRZXHBDXMF-LLVKDONJSA-N -1 1 389.416 0.401 20 0 GCADMM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826222550 607811761 /nfs/dbraw/zinc/81/17/61/607811761.db2.gz AITURKHQALCEOR-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488586 607812203 /nfs/dbraw/zinc/81/22/03/607812203.db2.gz UDTBFXLZWMSEPF-NSHDSACASA-N -1 1 389.416 0.958 20 0 GCADMM O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488586 607812204 /nfs/dbraw/zinc/81/22/04/607812204.db2.gz UDTBFXLZWMSEPF-NSHDSACASA-N -1 1 389.416 0.958 20 0 GCADMM NC(=O)COc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826391414 607818899 /nfs/dbraw/zinc/81/88/99/607818899.db2.gz KBRUMSPNCZARKH-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM NC(=O)COc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826391414 607818900 /nfs/dbraw/zinc/81/89/00/607818900.db2.gz KBRUMSPNCZARKH-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOCc2ccc(Cl)cc2)n(C)c1=O ZINC000826356052 607819544 /nfs/dbraw/zinc/81/95/44/607819544.db2.gz YRFIAMRIYMBKBE-UHFFFAOYSA-N -1 1 391.819 0.546 20 0 GCADMM O=C(COC(=O)[C@@H]1CCC(=O)O1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826414617 607826802 /nfs/dbraw/zinc/82/68/02/607826802.db2.gz CRIJJWJREGMIGZ-LBPRGKRZSA-N -1 1 397.351 0.240 20 0 GCADMM O=C(COC(=O)[C@@H]1CCC(=O)O1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826414617 607826803 /nfs/dbraw/zinc/82/68/03/607826803.db2.gz CRIJJWJREGMIGZ-LBPRGKRZSA-N -1 1 397.351 0.240 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)[C@@H]2C1 ZINC000826145917 607853085 /nfs/dbraw/zinc/85/30/85/607853085.db2.gz NQLYYHQGAAWWMK-RTXFEEFZSA-N -1 1 397.432 0.963 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)[C@@H]2C1 ZINC000826145917 607853086 /nfs/dbraw/zinc/85/30/86/607853086.db2.gz NQLYYHQGAAWWMK-RTXFEEFZSA-N -1 1 397.432 0.963 20 0 GCADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488804 607853303 /nfs/dbraw/zinc/85/33/03/607853303.db2.gz ZJKBCLPJPFUJQL-MRVWCRGKSA-N -1 1 376.442 0.888 20 0 GCADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488804 607853304 /nfs/dbraw/zinc/85/33/04/607853304.db2.gz ZJKBCLPJPFUJQL-MRVWCRGKSA-N -1 1 376.442 0.888 20 0 GCADMM CN(C)c1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000825879215 607853699 /nfs/dbraw/zinc/85/36/99/607853699.db2.gz JNHARRBMLKTKJE-UHFFFAOYSA-N -1 1 377.405 0.945 20 0 GCADMM O=S(=O)(NC[C@@]1(O)CCOC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490199 607853876 /nfs/dbraw/zinc/85/38/76/607853876.db2.gz MPHJHLYUIZJBSA-LBPRGKRZSA-N -1 1 393.347 0.315 20 0 GCADMM O=C1NC[C@H](CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)O1 ZINC000826482975 607858759 /nfs/dbraw/zinc/85/87/59/607858759.db2.gz WMSQUQIRNUIQJZ-SNVBAGLBSA-N -1 1 386.372 0.345 20 0 GCADMM C[C@@](O)(CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C1CC1 ZINC000824671457 607881684 /nfs/dbraw/zinc/88/16/84/607881684.db2.gz ZHOWJXFGGRCKHI-GOSISDBHSA-N -1 1 387.444 0.932 20 0 GCADMM O=C([C@H]1CCCO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826468317 607881794 /nfs/dbraw/zinc/88/17/94/607881794.db2.gz LELYSRWZRLMIAB-GFCCVEGCSA-N -1 1 385.384 0.942 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cc(Nc3cccc(-c4nnn[n-]4)n3)cn2)C[C@H](C)O1 ZINC000824970362 607900882 /nfs/dbraw/zinc/90/08/82/607900882.db2.gz WQNJXNIDMCJKGA-RYUDHWBXSA-N -1 1 383.416 0.838 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cc(Nc3cccc(-c4nn[n-]n4)n3)cn2)C[C@H](C)O1 ZINC000824970362 607900883 /nfs/dbraw/zinc/90/08/83/607900883.db2.gz WQNJXNIDMCJKGA-RYUDHWBXSA-N -1 1 383.416 0.838 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCNC(=O)C(C)C ZINC000826233247 607915505 /nfs/dbraw/zinc/91/55/05/607915505.db2.gz ZOBOAFDGIPEDRC-UHFFFAOYSA-N -1 1 389.460 0.795 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)co1 ZINC000825875825 607916870 /nfs/dbraw/zinc/91/68/70/607916870.db2.gz YXTHCPCMXOHWGM-UHFFFAOYSA-N -1 1 378.370 0.462 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)co1 ZINC000825875825 607916871 /nfs/dbraw/zinc/91/68/71/607916871.db2.gz YXTHCPCMXOHWGM-UHFFFAOYSA-N -1 1 378.370 0.462 20 0 GCADMM CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000823980747 607927070 /nfs/dbraw/zinc/92/70/70/607927070.db2.gz HCEZDRCXHQHIKF-OCCSQVGLSA-N -1 1 399.459 0.095 20 0 GCADMM CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000823980747 607927071 /nfs/dbraw/zinc/92/70/71/607927071.db2.gz HCEZDRCXHQHIKF-OCCSQVGLSA-N -1 1 399.459 0.095 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825659622 607937122 /nfs/dbraw/zinc/93/71/22/607937122.db2.gz WXMRNKMEBXYRHO-MRVPVSSYSA-N -1 1 377.423 0.107 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826494630 607939528 /nfs/dbraw/zinc/93/95/28/607939528.db2.gz KAZAAINKUITDTC-WFASDCNBSA-N -1 1 390.400 0.897 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826494630 607939529 /nfs/dbraw/zinc/93/95/29/607939529.db2.gz KAZAAINKUITDTC-WFASDCNBSA-N -1 1 390.400 0.897 20 0 GCADMM Cc1ccc(N2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)cc1C ZINC000826290255 607968773 /nfs/dbraw/zinc/96/87/73/607968773.db2.gz HBVIMSRAFZSRAX-UHFFFAOYSA-N -1 1 396.455 0.208 20 0 GCADMM COCC1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826153090 607973464 /nfs/dbraw/zinc/97/34/64/607973464.db2.gz BEGPECVFCOSLKR-UHFFFAOYSA-N -1 1 387.849 0.682 20 0 GCADMM COCC1(O)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826153503 607973470 /nfs/dbraw/zinc/97/34/70/607973470.db2.gz QKIFZYHYGGAWGK-UHFFFAOYSA-N -1 1 387.849 0.682 20 0 GCADMM COCC1(O)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826153503 607973471 /nfs/dbraw/zinc/97/34/71/607973471.db2.gz QKIFZYHYGGAWGK-UHFFFAOYSA-N -1 1 387.849 0.682 20 0 GCADMM NC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000826390073 607976592 /nfs/dbraw/zinc/97/65/92/607976592.db2.gz PFAFTIWMFKPFQI-LBPRGKRZSA-N -1 1 385.409 0.430 20 0 GCADMM NC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000826390073 607976593 /nfs/dbraw/zinc/97/65/93/607976593.db2.gz PFAFTIWMFKPFQI-LBPRGKRZSA-N -1 1 385.409 0.430 20 0 GCADMM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)Nc1ccc(F)cc1 ZINC000826410999 607988050 /nfs/dbraw/zinc/98/80/50/607988050.db2.gz HEBWLKDTWYAQML-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)Nc1ccc(F)cc1 ZINC000826410999 607988051 /nfs/dbraw/zinc/98/80/51/607988051.db2.gz HEBWLKDTWYAQML-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC000824876525 607988444 /nfs/dbraw/zinc/98/84/44/607988444.db2.gz SWAMBBDTIZFCHU-KBPBESRZSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC000824876525 607988445 /nfs/dbraw/zinc/98/84/45/607988445.db2.gz SWAMBBDTIZFCHU-KBPBESRZSA-N -1 1 385.476 0.283 20 0 GCADMM O=c1[nH]c(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc2ccccc21 ZINC000826500530 607988557 /nfs/dbraw/zinc/98/85/57/607988557.db2.gz BDKFJFAAXRCPJS-UHFFFAOYSA-N -1 1 390.411 0.628 20 0 GCADMM O=c1[nH]c(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc2ccccc21 ZINC000826500530 607988558 /nfs/dbraw/zinc/98/85/58/607988558.db2.gz BDKFJFAAXRCPJS-UHFFFAOYSA-N -1 1 390.411 0.628 20 0 GCADMM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)NCc1ccccc1 ZINC000826411175 607988595 /nfs/dbraw/zinc/98/85/95/607988595.db2.gz NUIOKTNWRQBUDU-UHFFFAOYSA-N -1 1 379.428 0.095 20 0 GCADMM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)NCc1ccccc1 ZINC000826411175 607988596 /nfs/dbraw/zinc/98/85/96/607988596.db2.gz NUIOKTNWRQBUDU-UHFFFAOYSA-N -1 1 379.428 0.095 20 0 GCADMM COc1ccc(CCC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826191917 607989873 /nfs/dbraw/zinc/98/98/73/607989873.db2.gz ULAJPPCOTNFBCH-UHFFFAOYSA-N -1 1 394.439 0.947 20 0 GCADMM COc1ccc(CCC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826191917 607989874 /nfs/dbraw/zinc/98/98/74/607989874.db2.gz ULAJPPCOTNFBCH-UHFFFAOYSA-N -1 1 394.439 0.947 20 0 GCADMM Cc1c(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cnn1C ZINC000826236170 607992333 /nfs/dbraw/zinc/99/23/33/607992333.db2.gz AHNYRRAJPHNTQM-LBPRGKRZSA-N -1 1 396.459 0.369 20 0 GCADMM Cc1c(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cnn1C ZINC000826236170 607992334 /nfs/dbraw/zinc/99/23/34/607992334.db2.gz AHNYRRAJPHNTQM-LBPRGKRZSA-N -1 1 396.459 0.369 20 0 GCADMM C[C@@H](CO)CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824436837 607994715 /nfs/dbraw/zinc/99/47/15/607994715.db2.gz WCHPDNFMGDQTQN-CHWSQXEVSA-N -1 1 389.464 0.285 20 0 GCADMM C[C@@H](CO)CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824436837 607994716 /nfs/dbraw/zinc/99/47/16/607994716.db2.gz WCHPDNFMGDQTQN-CHWSQXEVSA-N -1 1 389.464 0.285 20 0 GCADMM NS(=O)(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1F ZINC000826394578 607997040 /nfs/dbraw/zinc/99/70/40/607997040.db2.gz PHEWHOMAPITMLP-UHFFFAOYSA-N -1 1 378.345 0.611 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824103845 607997870 /nfs/dbraw/zinc/99/78/70/607997870.db2.gz JYRVJVGHWPINHK-CMPLNLGQSA-N -1 1 390.400 0.881 20 0 GCADMM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490178 608000961 /nfs/dbraw/zinc/00/09/61/608000961.db2.gz LXTJEOVPUPUACS-CQSZACIVSA-N -1 1 387.849 0.588 20 0 GCADMM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490178 608000962 /nfs/dbraw/zinc/00/09/62/608000962.db2.gz LXTJEOVPUPUACS-CQSZACIVSA-N -1 1 387.849 0.588 20 0 GCADMM CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826227936 608000964 /nfs/dbraw/zinc/00/09/64/608000964.db2.gz ZSNVKQMJSSXVOZ-CBAPKCEASA-N -1 1 377.879 0.911 20 0 GCADMM CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826227936 608000965 /nfs/dbraw/zinc/00/09/65/608000965.db2.gz ZSNVKQMJSSXVOZ-CBAPKCEASA-N -1 1 377.879 0.911 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000826357127 608008152 /nfs/dbraw/zinc/00/81/52/608008152.db2.gz SGJGJGYUJRILGO-ZDUSSCGKSA-N -1 1 395.427 0.770 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000826357127 608008153 /nfs/dbraw/zinc/00/81/53/608008153.db2.gz SGJGJGYUJRILGO-ZDUSSCGKSA-N -1 1 395.427 0.770 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000825865446 608010089 /nfs/dbraw/zinc/01/00/89/608010089.db2.gz FNFBPYYCRZQYJB-UHFFFAOYSA-N -1 1 388.837 0.157 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1(CO)CCCC1 ZINC000826328560 608015282 /nfs/dbraw/zinc/01/52/82/608015282.db2.gz WCECEAYYTYEQPL-UHFFFAOYSA-N -1 1 384.444 0.880 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1(CO)CCCC1 ZINC000826328560 608015283 /nfs/dbraw/zinc/01/52/83/608015283.db2.gz WCECEAYYTYEQPL-UHFFFAOYSA-N -1 1 384.444 0.880 20 0 GCADMM Cn1c2ccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cc2nc1C1CC1 ZINC000826355971 608018348 /nfs/dbraw/zinc/01/83/48/608018348.db2.gz VJUOHUPVFNSAKT-UHFFFAOYSA-N -1 1 393.411 0.772 20 0 GCADMM COc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccn1 ZINC000826218537 608030575 /nfs/dbraw/zinc/03/05/75/608030575.db2.gz FRQOFKVMBOXYSS-MRXNPFEDSA-N -1 1 391.395 0.768 20 0 GCADMM O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826398814 608074906 /nfs/dbraw/zinc/07/49/06/608074906.db2.gz GUYNMYLKTJBDTH-UKRRQHHQSA-N -1 1 394.443 0.755 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2csc(Cc3ccccc3)n2)c1=O ZINC000826356884 608095763 /nfs/dbraw/zinc/09/57/63/608095763.db2.gz JXNGXBCVEXMEEU-UHFFFAOYSA-N -1 1 381.421 0.823 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](NC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826231618 608103426 /nfs/dbraw/zinc/10/34/26/608103426.db2.gz SBRXZWAFSCBZFA-VIFPVBQESA-N -1 1 388.457 0.744 20 0 GCADMM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CN1 ZINC000826478698 608111987 /nfs/dbraw/zinc/11/19/87/608111987.db2.gz IBMKJRXPUDRWKP-PWSUYJOCSA-N -1 1 394.432 0.685 20 0 GCADMM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CN1 ZINC000826478698 608111988 /nfs/dbraw/zinc/11/19/88/608111988.db2.gz IBMKJRXPUDRWKP-PWSUYJOCSA-N -1 1 394.432 0.685 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC1(CO)COC1 ZINC000826328192 608116358 /nfs/dbraw/zinc/11/63/58/608116358.db2.gz IKYZQWBWAVPAKQ-UHFFFAOYSA-N -1 1 387.400 0.011 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC1(CO)COC1 ZINC000826328192 608116359 /nfs/dbraw/zinc/11/63/59/608116359.db2.gz IKYZQWBWAVPAKQ-UHFFFAOYSA-N -1 1 387.400 0.011 20 0 GCADMM Cc1ocnc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826342644 608164288 /nfs/dbraw/zinc/16/42/88/608164288.db2.gz UETWCLRGMSQBNX-JTQLQIEISA-N -1 1 384.404 0.373 20 0 GCADMM Cc1ocnc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826342644 608164290 /nfs/dbraw/zinc/16/42/90/608164290.db2.gz UETWCLRGMSQBNX-JTQLQIEISA-N -1 1 384.404 0.373 20 0 GCADMM C[C@@H]1OCC[C@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825019969 608176592 /nfs/dbraw/zinc/17/65/92/608176592.db2.gz HQYAJTHEFODREP-WCQYABFASA-N -1 1 397.395 0.959 20 0 GCADMM C[C@@H]1OCC[C@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825019969 608176594 /nfs/dbraw/zinc/17/65/94/608176594.db2.gz HQYAJTHEFODREP-WCQYABFASA-N -1 1 397.395 0.959 20 0 GCADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824858583 608179859 /nfs/dbraw/zinc/17/98/59/608179859.db2.gz KRZDBXUNRMUQQJ-YRGRVCCFSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824858583 608179861 /nfs/dbraw/zinc/17/98/61/608179861.db2.gz KRZDBXUNRMUQQJ-YRGRVCCFSA-N -1 1 384.444 0.699 20 0 GCADMM Cc1cccc(C2=CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000826297926 608194113 /nfs/dbraw/zinc/19/41/13/608194113.db2.gz XEONRWVEUGUTSX-UHFFFAOYSA-N -1 1 379.424 0.866 20 0 GCADMM CCC1(CC)[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H](C)[C@H]1OC ZINC000825171231 608197431 /nfs/dbraw/zinc/19/74/31/608197431.db2.gz NQRVGAIJYLWHBA-MVWJERBFSA-N -1 1 377.449 0.516 20 0 GCADMM C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824731600 608210991 /nfs/dbraw/zinc/21/09/91/608210991.db2.gz XLCFFFYHZWNRPP-QWRGUYRKSA-N -1 1 378.437 0.147 20 0 GCADMM C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824731600 608210993 /nfs/dbraw/zinc/21/09/93/608210993.db2.gz XLCFFFYHZWNRPP-QWRGUYRKSA-N -1 1 378.437 0.147 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)CN1CCOCC1 ZINC000826233030 608212193 /nfs/dbraw/zinc/21/21/93/608212193.db2.gz QWVXHWIVFYSKPC-NSHDSACASA-N -1 1 390.444 0.781 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000824371870 608212854 /nfs/dbraw/zinc/21/28/54/608212854.db2.gz WSJPXNVGFDJBBO-UHFFFAOYSA-N -1 1 388.436 0.702 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000824371870 608212855 /nfs/dbraw/zinc/21/28/55/608212855.db2.gz WSJPXNVGFDJBBO-UHFFFAOYSA-N -1 1 388.436 0.702 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Oc3ccccc3)nn2)c1=O ZINC000825799631 608230382 /nfs/dbraw/zinc/23/03/82/608230382.db2.gz NYKSQFHMBIXNQJ-UHFFFAOYSA-N -1 1 392.379 0.841 20 0 GCADMM Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826322010 608241611 /nfs/dbraw/zinc/24/16/11/608241611.db2.gz XBMKLENBLRBDRC-CYBMUJFWSA-N -1 1 390.429 0.364 20 0 GCADMM Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826322010 608241613 /nfs/dbraw/zinc/24/16/13/608241613.db2.gz XBMKLENBLRBDRC-CYBMUJFWSA-N -1 1 390.429 0.364 20 0 GCADMM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826053196 608244397 /nfs/dbraw/zinc/24/43/97/608244397.db2.gz VUBHPXWNPHPFAS-OLZOCXBDSA-N -1 1 387.444 0.548 20 0 GCADMM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826333444 608271306 /nfs/dbraw/zinc/27/13/06/608271306.db2.gz HYFPQQCWJIGVTD-SNVBAGLBSA-N -1 1 397.447 0.750 20 0 GCADMM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826333444 608271307 /nfs/dbraw/zinc/27/13/07/608271307.db2.gz HYFPQQCWJIGVTD-SNVBAGLBSA-N -1 1 397.447 0.750 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1CC(=O)N(C)C1 ZINC000826328401 608276241 /nfs/dbraw/zinc/27/62/41/608276241.db2.gz QCLYHDWBFXGWLX-GFCCVEGCSA-N -1 1 398.427 0.480 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1CC(=O)N(C)C1 ZINC000826328401 608276242 /nfs/dbraw/zinc/27/62/42/608276242.db2.gz QCLYHDWBFXGWLX-GFCCVEGCSA-N -1 1 398.427 0.480 20 0 GCADMM Cc1ccc(S(=O)(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000826292924 608302241 /nfs/dbraw/zinc/30/22/41/608302241.db2.gz SMNVZXIJGQTXLV-SNVBAGLBSA-N -1 1 390.429 0.458 20 0 GCADMM Cc1ccc(S(=O)(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000826292924 608302242 /nfs/dbraw/zinc/30/22/42/608302242.db2.gz SMNVZXIJGQTXLV-SNVBAGLBSA-N -1 1 390.429 0.458 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826495560 608303772 /nfs/dbraw/zinc/30/37/72/608303772.db2.gz UCDZYBZLLBNTCX-GFCCVEGCSA-N -1 1 382.421 0.101 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nn1 ZINC000825357071 608308928 /nfs/dbraw/zinc/30/89/28/608308928.db2.gz XEKXVQYDMAOILY-LLVKDONJSA-N -1 1 383.420 0.009 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nn1 ZINC000825357071 608308930 /nfs/dbraw/zinc/30/89/30/608308930.db2.gz XEKXVQYDMAOILY-LLVKDONJSA-N -1 1 383.420 0.009 20 0 GCADMM COC(=O)[C@H]1CN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CCO1 ZINC000826134594 608311377 /nfs/dbraw/zinc/31/13/77/608311377.db2.gz YZRXFVVKZAEXFR-OAHLLOKOSA-N -1 1 383.412 0.735 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)[C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826332198 608321865 /nfs/dbraw/zinc/32/18/65/608321865.db2.gz MNSBRMAYJHERAU-CQSZACIVSA-N -1 1 396.455 0.386 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2ccccn2)n1 ZINC000824148434 608338597 /nfs/dbraw/zinc/33/85/97/608338597.db2.gz UZGSHAMQQNXYMW-UHFFFAOYSA-N -1 1 383.416 0.511 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2ccccn2)n1 ZINC000824148434 608338599 /nfs/dbraw/zinc/33/85/99/608338599.db2.gz UZGSHAMQQNXYMW-UHFFFAOYSA-N -1 1 383.416 0.511 20 0 GCADMM CCCCN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825285399 608340036 /nfs/dbraw/zinc/34/00/36/608340036.db2.gz TXUHCKJBKBSBQZ-UHFFFAOYSA-N -1 1 378.437 0.378 20 0 GCADMM CCCCN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825285399 608340037 /nfs/dbraw/zinc/34/00/37/608340037.db2.gz TXUHCKJBKBSBQZ-UHFFFAOYSA-N -1 1 378.437 0.378 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H](O)c2ccco2)n1 ZINC000824148388 608340312 /nfs/dbraw/zinc/34/03/12/608340312.db2.gz SSBSPZXSASECHG-SNVBAGLBSA-N -1 1 388.388 0.200 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H](O)c2ccco2)n1 ZINC000824148388 608340314 /nfs/dbraw/zinc/34/03/14/608340314.db2.gz SSBSPZXSASECHG-SNVBAGLBSA-N -1 1 388.388 0.200 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H](O)c2ccccc2)n1 ZINC000824148250 608340387 /nfs/dbraw/zinc/34/03/87/608340387.db2.gz PSIWUWNQKCAVCM-CYBMUJFWSA-N -1 1 398.427 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H](O)c2ccccc2)n1 ZINC000824148250 608340389 /nfs/dbraw/zinc/34/03/89/608340389.db2.gz PSIWUWNQKCAVCM-CYBMUJFWSA-N -1 1 398.427 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2cccc(O)c2)n1 ZINC000824147437 608346179 /nfs/dbraw/zinc/34/61/79/608346179.db2.gz CVQLULMQEKLIQG-UHFFFAOYSA-N -1 1 384.400 0.779 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2cccc(O)c2)n1 ZINC000824147437 608346181 /nfs/dbraw/zinc/34/61/81/608346181.db2.gz CVQLULMQEKLIQG-UHFFFAOYSA-N -1 1 384.400 0.779 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCCCO2)n1 ZINC000824147713 608350848 /nfs/dbraw/zinc/35/08/48/608350848.db2.gz HPODTWJNFMSUPR-SNVBAGLBSA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCCCO2)n1 ZINC000824147713 608350849 /nfs/dbraw/zinc/35/08/49/608350849.db2.gz HPODTWJNFMSUPR-SNVBAGLBSA-N -1 1 376.421 0.442 20 0 GCADMM CN(Cc1cscn1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825992333 608351306 /nfs/dbraw/zinc/35/13/06/608351306.db2.gz WEELXVHLASUTLA-UHFFFAOYSA-N -1 1 389.445 0.872 20 0 GCADMM CN(Cc1cscn1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825992333 608351307 /nfs/dbraw/zinc/35/13/07/608351307.db2.gz WEELXVHLASUTLA-UHFFFAOYSA-N -1 1 389.445 0.872 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(O)CCCC2)n1 ZINC000824148056 608352610 /nfs/dbraw/zinc/35/26/10/608352610.db2.gz LWHBIPWVCRTWAC-UHFFFAOYSA-N -1 1 376.421 0.178 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2(O)CCCC2)n1 ZINC000824148056 608352612 /nfs/dbraw/zinc/35/26/12/608352612.db2.gz LWHBIPWVCRTWAC-UHFFFAOYSA-N -1 1 376.421 0.178 20 0 GCADMM CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824100292 608352720 /nfs/dbraw/zinc/35/27/20/608352720.db2.gz PXXFTHHROGNSHW-UHFFFAOYSA-N -1 1 392.420 0.215 20 0 GCADMM CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824100292 608352723 /nfs/dbraw/zinc/35/27/23/608352723.db2.gz PXXFTHHROGNSHW-UHFFFAOYSA-N -1 1 392.420 0.215 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCCS2)n1 ZINC000824148409 608355197 /nfs/dbraw/zinc/35/51/97/608355197.db2.gz TYTMRAOCLKVPKH-VIFPVBQESA-N -1 1 378.462 0.769 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCCS2)n1 ZINC000824148409 608355199 /nfs/dbraw/zinc/35/51/99/608355199.db2.gz TYTMRAOCLKVPKH-VIFPVBQESA-N -1 1 378.462 0.769 20 0 GCADMM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825485151 608356816 /nfs/dbraw/zinc/35/68/16/608356816.db2.gz DDWLDSDZTJDWNG-SECBINFHSA-N -1 1 392.420 0.072 20 0 GCADMM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825485151 608356818 /nfs/dbraw/zinc/35/68/18/608356818.db2.gz DDWLDSDZTJDWNG-SECBINFHSA-N -1 1 392.420 0.072 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H](CO)c2ccccc2)n1 ZINC000824141346 608357114 /nfs/dbraw/zinc/35/71/14/608357114.db2.gz FXCYVNNIFQMQFZ-ZDUSSCGKSA-N -1 1 398.427 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H](CO)c2ccccc2)n1 ZINC000824141346 608357116 /nfs/dbraw/zinc/35/71/16/608357116.db2.gz FXCYVNNIFQMQFZ-ZDUSSCGKSA-N -1 1 398.427 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCOC3(CCC3)C2)n1 ZINC000824141153 608357569 /nfs/dbraw/zinc/35/75/69/608357569.db2.gz DGIMNTNCFPWGKR-UHFFFAOYSA-N -1 1 388.432 0.538 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCOC3(CCC3)C2)n1 ZINC000824141153 608357571 /nfs/dbraw/zinc/35/75/71/608357571.db2.gz DGIMNTNCFPWGKR-UHFFFAOYSA-N -1 1 388.432 0.538 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2cscn2)n1 ZINC000824148545 608357683 /nfs/dbraw/zinc/35/76/83/608357683.db2.gz ZIFDSCWAIRULOY-UHFFFAOYSA-N -1 1 389.445 0.572 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2cscn2)n1 ZINC000824148545 608357685 /nfs/dbraw/zinc/35/76/85/608357685.db2.gz ZIFDSCWAIRULOY-UHFFFAOYSA-N -1 1 389.445 0.572 20 0 GCADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825908701 608358655 /nfs/dbraw/zinc/35/86/55/608358655.db2.gz LCMZHSFLWFYTRU-PWSUYJOCSA-N -1 1 390.448 0.376 20 0 GCADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825908701 608358656 /nfs/dbraw/zinc/35/86/56/608358656.db2.gz LCMZHSFLWFYTRU-PWSUYJOCSA-N -1 1 390.448 0.376 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2COC(C)(C)O2)n1 ZINC000824811859 608361450 /nfs/dbraw/zinc/36/14/50/608361450.db2.gz FQUYYXQQFKEXKQ-VIFPVBQESA-N -1 1 392.420 0.024 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2COC(C)(C)O2)n1 ZINC000824811859 608361452 /nfs/dbraw/zinc/36/14/52/608361452.db2.gz FQUYYXQQFKEXKQ-VIFPVBQESA-N -1 1 392.420 0.024 20 0 GCADMM O=C(COc1ccc(F)cc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826417952 608398921 /nfs/dbraw/zinc/39/89/21/608398921.db2.gz LZDJEMAOFLQLTG-UHFFFAOYSA-N -1 1 384.375 0.523 20 0 GCADMM O=C(COc1ccc(F)cc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826417952 608398922 /nfs/dbraw/zinc/39/89/22/608398922.db2.gz LZDJEMAOFLQLTG-UHFFFAOYSA-N -1 1 384.375 0.523 20 0 GCADMM Cc1ccc(OCC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826292319 608408562 /nfs/dbraw/zinc/40/85/62/608408562.db2.gz QEUPJZZIELIXSZ-UHFFFAOYSA-N -1 1 380.412 0.693 20 0 GCADMM Cc1ccc(OCC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826292319 608408563 /nfs/dbraw/zinc/40/85/63/608408563.db2.gz QEUPJZZIELIXSZ-UHFFFAOYSA-N -1 1 380.412 0.693 20 0 GCADMM Cc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826290607 608409084 /nfs/dbraw/zinc/40/90/84/608409084.db2.gz RWRRHFFSRAKAFI-UHFFFAOYSA-N -1 1 383.416 0.510 20 0 GCADMM Cc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826290607 608409086 /nfs/dbraw/zinc/40/90/86/608409086.db2.gz RWRRHFFSRAKAFI-UHFFFAOYSA-N -1 1 383.416 0.510 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824505448 608432460 /nfs/dbraw/zinc/43/24/60/608432460.db2.gz DADNDFLDUUDDAZ-ZYHUDNBSSA-N -1 1 376.421 0.775 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824505448 608432463 /nfs/dbraw/zinc/43/24/63/608432463.db2.gz DADNDFLDUUDDAZ-ZYHUDNBSSA-N -1 1 376.421 0.775 20 0 GCADMM CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC000825734885 608433710 /nfs/dbraw/zinc/43/37/10/608433710.db2.gz NTONWXWEJFJBRS-GFCCVEGCSA-N -1 1 383.416 0.835 20 0 GCADMM CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC000825734885 608433711 /nfs/dbraw/zinc/43/37/11/608433711.db2.gz NTONWXWEJFJBRS-GFCCVEGCSA-N -1 1 383.416 0.835 20 0 GCADMM CC(C)Oc1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC000824319479 608440331 /nfs/dbraw/zinc/44/03/31/608440331.db2.gz RZMMYTOBVJAHNR-UHFFFAOYSA-N -1 1 375.414 0.922 20 0 GCADMM CC(C)Oc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC000824319479 608440334 /nfs/dbraw/zinc/44/03/34/608440334.db2.gz RZMMYTOBVJAHNR-UHFFFAOYSA-N -1 1 375.414 0.922 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cccc(-c3nn[nH]n3)c2F)o1 ZINC000826090779 608441245 /nfs/dbraw/zinc/44/12/45/608441245.db2.gz OQVAKSDDGNFPSN-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM Cc1ccnc2c1NC(=O)CN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826315066 608445518 /nfs/dbraw/zinc/44/55/18/608445518.db2.gz XOOXCCMZPPNWDY-UHFFFAOYSA-N -1 1 389.372 0.857 20 0 GCADMM Cc1ccnc2c1NC(=O)CN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826315066 608445519 /nfs/dbraw/zinc/44/55/19/608445519.db2.gz XOOXCCMZPPNWDY-UHFFFAOYSA-N -1 1 389.372 0.857 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(-c3nn[nH]n3)c2F)co1 ZINC000826091169 608454818 /nfs/dbraw/zinc/45/48/18/608454818.db2.gz XODJIDVTVYEZLG-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826145437 608472378 /nfs/dbraw/zinc/47/23/78/608472378.db2.gz GNHIAKKMWYFZTJ-CMPLNLGQSA-N -1 1 390.448 0.688 20 0 GCADMM CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826145437 608472379 /nfs/dbraw/zinc/47/23/79/608472379.db2.gz GNHIAKKMWYFZTJ-CMPLNLGQSA-N -1 1 390.448 0.688 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ccn1 ZINC000826269987 608473922 /nfs/dbraw/zinc/47/39/22/608473922.db2.gz GIMGXYARCQOLKT-GFCCVEGCSA-N -1 1 380.416 0.525 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ccn1 ZINC000826269987 608473924 /nfs/dbraw/zinc/47/39/24/608473924.db2.gz GIMGXYARCQOLKT-GFCCVEGCSA-N -1 1 380.416 0.525 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCNC(=O)C(C)C ZINC000826232807 608490471 /nfs/dbraw/zinc/49/04/71/608490471.db2.gz JDKNMWLEEKERHB-UHFFFAOYSA-N -1 1 389.460 0.747 20 0 GCADMM CN(C)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000825929244 608548492 /nfs/dbraw/zinc/54/84/92/608548492.db2.gz DMEVFYNVQFODIU-UHFFFAOYSA-N -1 1 385.436 0.730 20 0 GCADMM CN(C)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000825929244 608548494 /nfs/dbraw/zinc/54/84/94/608548494.db2.gz DMEVFYNVQFODIU-UHFFFAOYSA-N -1 1 385.436 0.730 20 0 GCADMM CNC(=O)c1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826073489 608549159 /nfs/dbraw/zinc/54/91/59/608549159.db2.gz UOKFDBPQYMZIMV-UHFFFAOYSA-N -1 1 398.431 0.628 20 0 GCADMM CNC(=O)c1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826073489 608549161 /nfs/dbraw/zinc/54/91/61/608549161.db2.gz UOKFDBPQYMZIMV-UHFFFAOYSA-N -1 1 398.431 0.628 20 0 GCADMM CN(C)c1ncc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000825930129 608549429 /nfs/dbraw/zinc/54/94/29/608549429.db2.gz QAQMNKGKGUJFGA-UHFFFAOYSA-N -1 1 386.424 0.125 20 0 GCADMM CN(C)c1ncc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000825930129 608549432 /nfs/dbraw/zinc/54/94/32/608549432.db2.gz QAQMNKGKGUJFGA-UHFFFAOYSA-N -1 1 386.424 0.125 20 0 GCADMM CNc1snc(C)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826098395 608558552 /nfs/dbraw/zinc/55/85/52/608558552.db2.gz CZJPCIZHQDJWSC-UHFFFAOYSA-N -1 1 376.450 0.683 20 0 GCADMM CNc1snc(C)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826098395 608558553 /nfs/dbraw/zinc/55/85/53/608558553.db2.gz CZJPCIZHQDJWSC-UHFFFAOYSA-N -1 1 376.450 0.683 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000825934740 608558690 /nfs/dbraw/zinc/55/86/90/608558690.db2.gz RFTYLYMKZBELRY-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000825934740 608558692 /nfs/dbraw/zinc/55/86/92/608558692.db2.gz RFTYLYMKZBELRY-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1O ZINC000824991376 608563165 /nfs/dbraw/zinc/56/31/65/608563165.db2.gz AGEADLYUZSFHCS-OIBJUYFYSA-N -1 1 377.348 0.887 20 0 GCADMM CC[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825154952 608564922 /nfs/dbraw/zinc/56/49/22/608564922.db2.gz WDKDXDYNCMDCCD-NSHDSACASA-N -1 1 384.437 0.083 20 0 GCADMM CC[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825154952 608564923 /nfs/dbraw/zinc/56/49/23/608564923.db2.gz WDKDXDYNCMDCCD-NSHDSACASA-N -1 1 384.437 0.083 20 0 GCADMM CC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825154951 608564939 /nfs/dbraw/zinc/56/49/39/608564939.db2.gz WDKDXDYNCMDCCD-LLVKDONJSA-N -1 1 384.437 0.083 20 0 GCADMM CC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825154951 608564941 /nfs/dbraw/zinc/56/49/41/608564941.db2.gz WDKDXDYNCMDCCD-LLVKDONJSA-N -1 1 384.437 0.083 20 0 GCADMM COc1cc(C=O)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000826178975 608565214 /nfs/dbraw/zinc/56/52/14/608565214.db2.gz STYNRLYIIGWKBC-UHFFFAOYSA-N -1 1 391.365 0.859 20 0 GCADMM COc1cc(C=O)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000826178975 608565216 /nfs/dbraw/zinc/56/52/16/608565216.db2.gz STYNRLYIIGWKBC-UHFFFAOYSA-N -1 1 391.365 0.859 20 0 GCADMM COc1cccc(C2=CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)c1 ZINC000826215697 608585856 /nfs/dbraw/zinc/58/58/56/608585856.db2.gz WKRLWSIPOUOUPK-UHFFFAOYSA-N -1 1 381.396 0.176 20 0 GCADMM COCCN1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1=O ZINC000826159427 608588886 /nfs/dbraw/zinc/58/88/86/608588886.db2.gz FVKMMTNDBSVCPA-NSHDSACASA-N -1 1 391.432 0.194 20 0 GCADMM COCCn1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000826163953 608590301 /nfs/dbraw/zinc/59/03/01/608590301.db2.gz SDCINATWDXMGDM-UHFFFAOYSA-N -1 1 399.459 0.897 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ccnc(N(C)C)n1 ZINC000826233193 608591670 /nfs/dbraw/zinc/59/16/70/608591670.db2.gz XIRFTCJBHSGOSY-UHFFFAOYSA-N -1 1 397.443 0.689 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CO)c1cccc(Br)c1 ZINC000826424828 608592000 /nfs/dbraw/zinc/59/20/00/608592000.db2.gz FHXPVABGQUCIHL-JTQLQIEISA-N -1 1 393.205 0.071 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000826483775 608745920 /nfs/dbraw/zinc/74/59/20/608745920.db2.gz ZMBQOAMYMNVHKT-ZDUSSCGKSA-N -1 1 394.391 0.957 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000826483775 608745921 /nfs/dbraw/zinc/74/59/21/608745921.db2.gz ZMBQOAMYMNVHKT-ZDUSSCGKSA-N -1 1 394.391 0.957 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCO1 ZINC000824892323 608761967 /nfs/dbraw/zinc/76/19/67/608761967.db2.gz GTDVEMRMAKYGKY-XQQFMLRXSA-N -1 1 387.448 0.444 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCO1 ZINC000824892323 608761968 /nfs/dbraw/zinc/76/19/68/608761968.db2.gz GTDVEMRMAKYGKY-XQQFMLRXSA-N -1 1 387.448 0.444 20 0 GCADMM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cc2[nH]c(O)nc2O)cc1 ZINC000826422101 608823312 /nfs/dbraw/zinc/82/33/12/608823312.db2.gz MIOAHYRMHIJMOW-OAHLLOKOSA-N -1 1 391.391 0.798 20 0 GCADMM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826481562 608823789 /nfs/dbraw/zinc/82/37/89/608823789.db2.gz AFUJLMBXIOVHHP-CYBMUJFWSA-N -1 1 378.352 0.265 20 0 GCADMM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826481562 608823792 /nfs/dbraw/zinc/82/37/92/608823792.db2.gz AFUJLMBXIOVHHP-CYBMUJFWSA-N -1 1 378.352 0.265 20 0 GCADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)Cn3ccnc3-c3nnn[n-]3)CC2)C1 ZINC000824935366 608887343 /nfs/dbraw/zinc/88/73/43/608887343.db2.gz AEHAGCIPPSGORV-ZDUSSCGKSA-N -1 1 386.460 0.560 20 0 GCADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)Cn3ccnc3-c3nn[n-]n3)CC2)C1 ZINC000824935366 608887345 /nfs/dbraw/zinc/88/73/45/608887345.db2.gz AEHAGCIPPSGORV-ZDUSSCGKSA-N -1 1 386.460 0.560 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000826424778 608888570 /nfs/dbraw/zinc/88/85/70/608888570.db2.gz CPVKMYWJJLCJAB-UHFFFAOYSA-N -1 1 386.460 0.751 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000826424778 608888571 /nfs/dbraw/zinc/88/85/71/608888571.db2.gz CPVKMYWJJLCJAB-UHFFFAOYSA-N -1 1 386.460 0.751 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000826425315 608891672 /nfs/dbraw/zinc/89/16/72/608891672.db2.gz XZXAVZBDGMGRPV-UHFFFAOYSA-N -1 1 386.460 0.704 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000826425315 608891673 /nfs/dbraw/zinc/89/16/73/608891673.db2.gz XZXAVZBDGMGRPV-UHFFFAOYSA-N -1 1 386.460 0.704 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000826424745 608892898 /nfs/dbraw/zinc/89/28/98/608892898.db2.gz AVANIPTWWXKCNL-UHFFFAOYSA-N -1 1 395.362 0.694 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000826424745 608892901 /nfs/dbraw/zinc/89/29/01/608892901.db2.gz AVANIPTWWXKCNL-UHFFFAOYSA-N -1 1 395.362 0.694 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000826425277 608893517 /nfs/dbraw/zinc/89/35/17/608893517.db2.gz WQUIMNAXMAKUTG-ZDUSSCGKSA-N -1 1 393.473 0.412 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000826425277 608893520 /nfs/dbraw/zinc/89/35/20/608893520.db2.gz WQUIMNAXMAKUTG-ZDUSSCGKSA-N -1 1 393.473 0.412 20 0 GCADMM COc1ncc(C)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826221773 609158416 /nfs/dbraw/zinc/15/84/16/609158416.db2.gz UGLQRJLXOVLQJI-UHFFFAOYSA-N -1 1 386.420 0.981 20 0 GCADMM COc1ncc(C)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826221773 609158418 /nfs/dbraw/zinc/15/84/18/609158418.db2.gz UGLQRJLXOVLQJI-UHFFFAOYSA-N -1 1 386.420 0.981 20 0 GCADMM COCc1csc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826165471 609158676 /nfs/dbraw/zinc/15/86/76/609158676.db2.gz WJMSQRCXRYYGAI-UHFFFAOYSA-N -1 1 392.449 0.871 20 0 GCADMM COCc1csc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826165471 609158678 /nfs/dbraw/zinc/15/86/78/609158678.db2.gz WJMSQRCXRYYGAI-UHFFFAOYSA-N -1 1 392.449 0.871 20 0 GCADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825248161 609165730 /nfs/dbraw/zinc/16/57/30/609165730.db2.gz PRXKFZDUWSUCKK-SNVBAGLBSA-N -1 1 377.430 0.430 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000826341122 609176094 /nfs/dbraw/zinc/17/60/94/609176094.db2.gz XLBFCXUZYKBQFW-UHFFFAOYSA-N -1 1 395.383 0.442 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN(C(C)C)C(=O)C2)cc1-c1nn[n-]n1 ZINC000826229563 609177360 /nfs/dbraw/zinc/17/73/60/609177360.db2.gz JAAHMCUHFZHNPX-UHFFFAOYSA-N -1 1 377.430 0.382 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N(C)CC(C)(CO)CO)c1-c1nn[n-]n1 ZINC000826231178 609256161 /nfs/dbraw/zinc/25/61/61/609256161.db2.gz AGOUUSHYAQNYOQ-UHFFFAOYSA-N -1 1 392.485 0.924 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cnc3c(c2)COCC3)c1-c1nnn[n-]1 ZINC000826395985 609283800 /nfs/dbraw/zinc/28/38/00/609283800.db2.gz BFXOMVKBUPAALE-UHFFFAOYSA-N -1 1 384.404 0.394 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cnc3c(c2)COCC3)c1-c1nn[n-]n1 ZINC000826395985 609283801 /nfs/dbraw/zinc/28/38/01/609283801.db2.gz BFXOMVKBUPAALE-UHFFFAOYSA-N -1 1 384.404 0.394 20 0 GCADMM CCCS(=O)(=O)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825341844 609286892 /nfs/dbraw/zinc/28/68/92/609286892.db2.gz LHTKJUOSFCAKMX-UHFFFAOYSA-N -1 1 393.404 0.955 20 0 GCADMM CC(C)(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)S(C)(=O)=O ZINC000824064260 609287036 /nfs/dbraw/zinc/28/70/36/609287036.db2.gz FHKQRBIIALKYBM-UHFFFAOYSA-N -1 1 393.404 0.953 20 0 GCADMM O=C(CN1CCC(=O)NC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826480928 609288228 /nfs/dbraw/zinc/28/82/28/609288228.db2.gz YKRRTLWXLHSNMA-UHFFFAOYSA-N -1 1 399.346 0.072 20 0 GCADMM O=C(CN1CSCC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826411839 609289657 /nfs/dbraw/zinc/28/96/57/609289657.db2.gz POFJJSORYNWPGU-UHFFFAOYSA-N -1 1 388.388 0.663 20 0 GCADMM C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1C(=O)CCC1=O ZINC000824046256 609291556 /nfs/dbraw/zinc/29/15/56/609291556.db2.gz RQCZONUFTUDZPH-SECBINFHSA-N -1 1 398.358 0.668 20 0 GCADMM C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cn1cccn1 ZINC000824420450 609300457 /nfs/dbraw/zinc/30/04/57/609300457.db2.gz KJUUBXZIHRLARN-LLVKDONJSA-N -1 1 387.452 0.279 20 0 GCADMM C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cn1cccn1 ZINC000824420450 609300458 /nfs/dbraw/zinc/30/04/58/609300458.db2.gz KJUUBXZIHRLARN-LLVKDONJSA-N -1 1 387.452 0.279 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(Cl)nc1 ZINC000825930330 609300820 /nfs/dbraw/zinc/30/08/20/609300820.db2.gz SUJAKQWMFYUGKH-UHFFFAOYSA-N -1 1 390.839 0.995 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(Cl)nc1 ZINC000825930330 609300822 /nfs/dbraw/zinc/30/08/22/609300822.db2.gz SUJAKQWMFYUGKH-UHFFFAOYSA-N -1 1 390.839 0.995 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCNc1ccccn1 ZINC000825930161 609300966 /nfs/dbraw/zinc/30/09/66/609300966.db2.gz QNLRAAZSCNDQJZ-UHFFFAOYSA-N -1 1 399.463 0.643 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000825930344 609301058 /nfs/dbraw/zinc/30/10/58/609301058.db2.gz UCJDUTRREAYECM-LLVKDONJSA-N -1 1 399.463 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000825930344 609301059 /nfs/dbraw/zinc/30/10/59/609301059.db2.gz UCJDUTRREAYECM-LLVKDONJSA-N -1 1 399.463 0.557 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000826424887 609301584 /nfs/dbraw/zinc/30/15/84/609301584.db2.gz HKRBMSOYNOSPSE-LLVKDONJSA-N -1 1 396.333 0.410 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000825492792 609302112 /nfs/dbraw/zinc/30/21/12/609302112.db2.gz HNXSMPXKCFRWGB-YGRLFVJLSA-N -1 1 378.389 0.180 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000825492792 609302114 /nfs/dbraw/zinc/30/21/14/609302114.db2.gz HNXSMPXKCFRWGB-YGRLFVJLSA-N -1 1 378.389 0.180 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1CCSCC1 ZINC000825930682 609302825 /nfs/dbraw/zinc/30/28/25/609302825.db2.gz WLWUOXTWAJPXLO-UHFFFAOYSA-N -1 1 379.494 0.889 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1CCSCC1 ZINC000825930682 609302827 /nfs/dbraw/zinc/30/28/27/609302827.db2.gz WLWUOXTWAJPXLO-UHFFFAOYSA-N -1 1 379.494 0.889 20 0 GCADMM CC(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824224702 609303143 /nfs/dbraw/zinc/30/31/43/609303143.db2.gz QBERISSRHOCQMP-SMDDNHRTSA-N -1 1 391.480 0.807 20 0 GCADMM CC(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824224702 609303145 /nfs/dbraw/zinc/30/31/45/609303145.db2.gz QBERISSRHOCQMP-SMDDNHRTSA-N -1 1 391.480 0.807 20 0 GCADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCOCC1 ZINC000825134248 609304077 /nfs/dbraw/zinc/30/40/77/609304077.db2.gz SKNKXEWGGMRGCM-GFCCVEGCSA-N -1 1 391.480 0.951 20 0 GCADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCOCC1 ZINC000825134248 609304078 /nfs/dbraw/zinc/30/40/78/609304078.db2.gz SKNKXEWGGMRGCM-GFCCVEGCSA-N -1 1 391.480 0.951 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCC(=O)OC(C)(C)C ZINC000825930318 609304151 /nfs/dbraw/zinc/30/41/51/609304151.db2.gz SHHLXRVRAGLIPM-UHFFFAOYSA-N -1 1 393.452 0.478 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCC(=O)OC(C)(C)C ZINC000825930318 609304153 /nfs/dbraw/zinc/30/41/53/609304153.db2.gz SHHLXRVRAGLIPM-UHFFFAOYSA-N -1 1 393.452 0.478 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCc1ccccn1 ZINC000825930164 609309859 /nfs/dbraw/zinc/30/98/59/609309859.db2.gz QPBFRRSXQBFDQS-UHFFFAOYSA-N -1 1 384.448 0.774 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCc1ccccn1 ZINC000825930164 609309862 /nfs/dbraw/zinc/30/98/62/609309862.db2.gz QPBFRRSXQBFDQS-UHFFFAOYSA-N -1 1 384.448 0.774 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000825930154 609310077 /nfs/dbraw/zinc/31/00/77/609310077.db2.gz QJRUABOGTRRPIN-SNVBAGLBSA-N -1 1 385.436 0.027 20 0 GCADMM CO[C@H]1CCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826145510 609310124 /nfs/dbraw/zinc/31/01/24/609310124.db2.gz HSQUBOXVLJUTJH-PWSUYJOCSA-N -1 1 377.453 0.561 20 0 GCADMM CO[C@H]1CCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826145510 609310126 /nfs/dbraw/zinc/31/01/26/609310126.db2.gz HSQUBOXVLJUTJH-PWSUYJOCSA-N -1 1 377.453 0.561 20 0 GCADMM CCc1cnccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825739479 609310175 /nfs/dbraw/zinc/31/01/75/609310175.db2.gz DWSJSECGBWCOMM-UHFFFAOYSA-N -1 1 384.448 0.904 20 0 GCADMM CCc1cnccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825739479 609310177 /nfs/dbraw/zinc/31/01/77/609310177.db2.gz DWSJSECGBWCOMM-UHFFFAOYSA-N -1 1 384.448 0.904 20 0 GCADMM Cc1ncc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826329724 609310419 /nfs/dbraw/zinc/31/04/19/609310419.db2.gz PCGSPWNKCAENBD-UHFFFAOYSA-N -1 1 390.477 0.754 20 0 GCADMM Cc1ncc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826329724 609310421 /nfs/dbraw/zinc/31/04/21/609310421.db2.gz PCGSPWNKCAENBD-UHFFFAOYSA-N -1 1 390.477 0.754 20 0 GCADMM COC[C@H](CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)OC ZINC000826150113 609311745 /nfs/dbraw/zinc/31/17/45/609311745.db2.gz WTECWACQXRHFEB-LBPRGKRZSA-N -1 1 388.432 0.236 20 0 GCADMM COC[C@H](CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)OC ZINC000826150113 609311747 /nfs/dbraw/zinc/31/17/47/609311747.db2.gz WTECWACQXRHFEB-LBPRGKRZSA-N -1 1 388.432 0.236 20 0 GCADMM C[C@H](NS(C)(=O)=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824650987 609312079 /nfs/dbraw/zinc/31/20/79/609312079.db2.gz WQKHTXBSOYVWPF-QMMMGPOBSA-N -1 1 394.392 0.068 20 0 GCADMM NC(=O)NCCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826392632 609312448 /nfs/dbraw/zinc/31/24/48/609312448.db2.gz GJKDNPHMNLRHLL-UHFFFAOYSA-N -1 1 387.379 0.969 20 0 GCADMM COc1cccc2[nH]cc(CCNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)c21 ZINC000826217611 609324642 /nfs/dbraw/zinc/32/46/42/609324642.db2.gz VCZMCMHNSKTSAP-UHFFFAOYSA-N -1 1 396.411 0.409 20 0 GCADMM CC(C)[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824224625 609353228 /nfs/dbraw/zinc/35/32/28/609353228.db2.gz PCVHIZHOXZLKBB-GFCCVEGCSA-N -1 1 390.448 0.640 20 0 GCADMM CC(C)[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824224625 609353229 /nfs/dbraw/zinc/35/32/29/609353229.db2.gz PCVHIZHOXZLKBB-GFCCVEGCSA-N -1 1 390.448 0.640 20 0 GCADMM CN(CC1CC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825901495 609353966 /nfs/dbraw/zinc/35/39/66/609353966.db2.gz HNEFIPJQTUECDH-UHFFFAOYSA-N -1 1 384.375 0.998 20 0 GCADMM CC[C@@H]1C(=O)NCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825176133 609358426 /nfs/dbraw/zinc/35/84/26/609358426.db2.gz HKWUHLBFXQWSDZ-LLVKDONJSA-N -1 1 399.390 0.934 20 0 GCADMM O=C(CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC1CC1 ZINC000826411483 609361879 /nfs/dbraw/zinc/36/18/79/609361879.db2.gz ADGGSTLBWAOACA-UHFFFAOYSA-N -1 1 385.363 0.592 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCS(=O)CC1 ZINC000826458075 609362615 /nfs/dbraw/zinc/36/26/15/609362615.db2.gz BGSCEEJDZKCPCF-UHFFFAOYSA-N -1 1 390.404 0.788 20 0 GCADMM CC(C)(O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824171920 609364841 /nfs/dbraw/zinc/36/48/41/609364841.db2.gz HEOKAEVYKPBXCW-UHFFFAOYSA-N -1 1 388.363 0.017 20 0 GCADMM C[C@@H](O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824700288 609367751 /nfs/dbraw/zinc/36/77/51/609367751.db2.gz XUYBDCFURWAHBD-SECBINFHSA-N -1 1 388.363 0.017 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CC[C@@H](C)[C@@H](F)C3)CC2)o1 ZINC000826322759 609374406 /nfs/dbraw/zinc/37/44/06/609374406.db2.gz ALSFHCBGCBHVKL-YPMHNXCESA-N -1 1 392.439 0.492 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CC[C@H](C)[C@H](F)C3)CC2)o1 ZINC000826322758 609374742 /nfs/dbraw/zinc/37/47/42/609374742.db2.gz ALSFHCBGCBHVKL-WCQYABFASA-N -1 1 392.439 0.492 20 0 GCADMM O=S(=O)(NC1CCCC1)C1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826487830 609386899 /nfs/dbraw/zinc/38/68/99/609386899.db2.gz BDJXTKGLMAJEKR-UHFFFAOYSA-N -1 1 383.865 0.966 20 0 GCADMM O=S(=O)(NC1CCCC1)C1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826487830 609386901 /nfs/dbraw/zinc/38/69/01/609386901.db2.gz BDJXTKGLMAJEKR-UHFFFAOYSA-N -1 1 383.865 0.966 20 0 GCADMM Cc1cc(Br)c(O)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826256284 609399266 /nfs/dbraw/zinc/39/92/66/609399266.db2.gz BILGRDCUXQEBQQ-UHFFFAOYSA-N -1 1 379.178 0.873 20 0 GCADMM COC[C@@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(=O)OC ZINC000826150548 609404403 /nfs/dbraw/zinc/40/44/03/609404403.db2.gz HEKWNPRKFQERFL-LLVKDONJSA-N -1 1 392.441 0.779 20 0 GCADMM CCN(Cc1cn(C)nn1)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825439762 609410219 /nfs/dbraw/zinc/41/02/19/609410219.db2.gz NEFAWXMYYBAOIJ-UHFFFAOYSA-N -1 1 385.432 0.694 20 0 GCADMM O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826479656 609438645 /nfs/dbraw/zinc/43/86/45/609438645.db2.gz DYTGMWMVUASVCV-SMDDNHRTSA-N -1 1 395.416 0.765 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H]1CCCN(C)C1=O ZINC000826328143 609465531 /nfs/dbraw/zinc/46/55/31/609465531.db2.gz HIKFYRDORJCITQ-AWEZNQCLSA-N -1 1 398.427 0.623 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H]1CCCN(C)C1=O ZINC000826328143 609465533 /nfs/dbraw/zinc/46/55/33/609465533.db2.gz HIKFYRDORJCITQ-AWEZNQCLSA-N -1 1 398.427 0.623 20 0 GCADMM Cc1onc(CC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)c1-c1nnn[n-]1 ZINC000826345312 609468818 /nfs/dbraw/zinc/46/88/18/609468818.db2.gz IPMJDCLRRFNTMC-SNVBAGLBSA-N -1 1 394.395 0.620 20 0 GCADMM Cc1onc(CC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)c1-c1nn[n-]n1 ZINC000826345312 609468822 /nfs/dbraw/zinc/46/88/22/609468822.db2.gz IPMJDCLRRFNTMC-SNVBAGLBSA-N -1 1 394.395 0.620 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1-c1nn[nH]n1 ZINC000826348566 609471578 /nfs/dbraw/zinc/47/15/78/609471578.db2.gz STIIGKLHEDMPIW-UHFFFAOYSA-N -1 1 395.376 0.855 20 0 GCADMM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCO2)no1 ZINC000826325474 609497922 /nfs/dbraw/zinc/49/79/22/609497922.db2.gz YWRCNGRHSOTFEW-LLVKDONJSA-N -1 1 395.376 0.459 20 0 GCADMM Cc1nnc2n1C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826337311 609498018 /nfs/dbraw/zinc/49/80/18/609498018.db2.gz KALDDKHCVBVOHT-SECBINFHSA-N -1 1 394.848 0.713 20 0 GCADMM Cc1nnc2n1C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826337311 609498019 /nfs/dbraw/zinc/49/80/19/609498019.db2.gz KALDDKHCVBVOHT-SECBINFHSA-N -1 1 394.848 0.713 20 0 GCADMM Cc1nc([C@H]2COCCN2CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)no1 ZINC000826325297 609498313 /nfs/dbraw/zinc/49/83/13/609498313.db2.gz TWXDWTVPOWQYAX-LLVKDONJSA-N -1 1 388.388 0.780 20 0 GCADMM O=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CN1C1CC1 ZINC000826479034 609585728 /nfs/dbraw/zinc/58/57/28/609585728.db2.gz OSSJNICPWSZYHA-SECBINFHSA-N -1 1 380.405 0.295 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCO1 ZINC000825182309 609593222 /nfs/dbraw/zinc/59/32/22/609593222.db2.gz HSCIDNJHIPTRJC-MELADBBJSA-N -1 1 386.460 0.899 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCO1 ZINC000825182309 609593224 /nfs/dbraw/zinc/59/32/24/609593224.db2.gz HSCIDNJHIPTRJC-MELADBBJSA-N -1 1 386.460 0.899 20 0 GCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)c1 ZINC000064475878 638434921 /nfs/dbraw/zinc/43/49/21/638434921.db2.gz RPFOWGRQLYPTAX-UHFFFAOYSA-N -1 1 383.451 0.803 20 0 GCADMM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(I)c([O-])c1 ZINC000234564784 638471117 /nfs/dbraw/zinc/47/11/17/638471117.db2.gz NGBYBEOHSREHLQ-PSASIEDQSA-N -1 1 391.161 0.745 20 0 GCADMM C[C@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)N1CCN(C)CC1 ZINC000866858042 638524398 /nfs/dbraw/zinc/52/43/98/638524398.db2.gz YHEUIIYJJKPYLI-OZAJXLCCSA-N -1 1 392.522 0.753 20 0 GCADMM C[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)N1CCN(C)CC1 ZINC000866858045 638524430 /nfs/dbraw/zinc/52/44/30/638524430.db2.gz YHEUIIYJJKPYLI-YEBMWUKDSA-N -1 1 392.522 0.753 20 0 GCADMM Cc1cc(S(=O)(=O)N(C)C)cc(NC=C2C(=O)[N-]C(=S)NC2=O)c1C ZINC000052536865 638561023 /nfs/dbraw/zinc/56/10/23/638561023.db2.gz JXMPDAKNVOQDRZ-UHFFFAOYSA-N -1 1 382.467 0.380 20 0 GCADMM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(Cl)nc3F)C2=O)n(C)n1 ZINC000866886081 638614160 /nfs/dbraw/zinc/61/41/60/638614160.db2.gz QXWSFCJAGRDZTD-VIFPVBQESA-N -1 1 387.824 1.000 20 0 GCADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c(Br)n1C ZINC000313494808 638632856 /nfs/dbraw/zinc/63/28/56/638632856.db2.gz JPUBXOFHZMQDDL-QMMMGPOBSA-N -1 1 386.293 0.347 20 0 GCADMM CCN(C1CCN(CC(=O)N[N-]C(=O)c2cccs2)CC1)S(C)(=O)=O ZINC000066883304 638635091 /nfs/dbraw/zinc/63/50/91/638635091.db2.gz GWRJFDSGVIWLMT-UHFFFAOYSA-N -1 1 388.515 0.255 20 0 GCADMM CC(C)n1c(CCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)n[n-]c1=S ZINC000067074431 638663258 /nfs/dbraw/zinc/66/32/58/638663258.db2.gz XPBRGGUOAHBCAY-LLVKDONJSA-N -1 1 375.520 0.994 20 0 GCADMM O=C(CSc1nc2ccccc2o1)NN/C=C1/C(=O)[N-]C(=S)NC1=O ZINC000028979792 638720613 /nfs/dbraw/zinc/72/06/13/638720613.db2.gz BASWXHBWBNTEGP-UHFFFAOYSA-N -1 1 377.407 0.796 20 0 GCADMM O=C(CSc1nc2ccccc2o1)NN/C=C1\C(=O)[N-]C(=S)NC1=O ZINC000028979792 638720619 /nfs/dbraw/zinc/72/06/19/638720619.db2.gz BASWXHBWBNTEGP-UHFFFAOYSA-N -1 1 377.407 0.796 20 0 GCADMM O=C(CSc1nc2ccccc2o1)NNC=C1C(=O)[N-]C(=S)NC1=O ZINC000028979792 638720626 /nfs/dbraw/zinc/72/06/26/638720626.db2.gz BASWXHBWBNTEGP-UHFFFAOYSA-N -1 1 377.407 0.796 20 0 GCADMM NC(=O)CNC(=S)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000727086666 638737846 /nfs/dbraw/zinc/73/78/46/638737846.db2.gz PHADOVNQCNNERF-UHFFFAOYSA-N -1 1 378.479 0.937 20 0 GCADMM CCC[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000262328466 639062703 /nfs/dbraw/zinc/06/27/03/639062703.db2.gz XNSAQTHCRVOOTP-IHRRRGAJSA-N -1 1 376.475 0.024 20 0 GCADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CSC[C@H]2C(=O)N2CCSCC2)C1 ZINC000909545880 639070359 /nfs/dbraw/zinc/07/03/59/639070359.db2.gz DLXSILYCLNRHAW-STQMWFEESA-N -1 1 387.527 0.260 20 0 GCADMM COC(=O)[C@@](C)(CO)NC(=O)c1cc(I)ccc1[O-] ZINC000909594497 639099613 /nfs/dbraw/zinc/09/96/13/639099613.db2.gz OHQBAHONIJQMPX-GFCCVEGCSA-N -1 1 379.150 0.651 20 0 GCADMM CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(F)cn2)C1 ZINC000349514534 639124276 /nfs/dbraw/zinc/12/42/76/639124276.db2.gz VEFJMZQBFPQKKF-GFCCVEGCSA-N -1 1 381.451 0.403 20 0 GCADMM O=S(=O)(Cc1ccon1)NCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000531169369 639132656 /nfs/dbraw/zinc/13/26/56/639132656.db2.gz GIERFUDGNWJOTI-UHFFFAOYSA-N -1 1 381.382 0.351 20 0 GCADMM CO[C@@]1(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CCS(=O)(=O)C1 ZINC000898991259 639249038 /nfs/dbraw/zinc/24/90/38/639249038.db2.gz UIPPNGUGWKHPLT-NRUUGDAUSA-N -1 1 386.392 0.106 20 0 GCADMM Cc1n[nH]c(I)c1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC000899039693 639250412 /nfs/dbraw/zinc/25/04/12/639250412.db2.gz GYFXDDOCSDFYKM-YFKPBYRVSA-N -1 1 377.142 0.250 20 0 GCADMM C[C@H](CN(C)C(=O)c1nn(C)cc1I)c1nn[n-]n1 ZINC000907350076 639378505 /nfs/dbraw/zinc/37/85/05/639378505.db2.gz LXKYNLIWJLOSDQ-ZCFIWIBFSA-N -1 1 375.174 0.414 20 0 GCADMM C[C@@H](CN(C)C(=O)c1nn(C)cc1I)c1nn[n-]n1 ZINC000907350075 639378646 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C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)co1 ZINC000363850409 1189523045 /nfs/dbraw/zinc/52/30/45/1189523045.db2.gz HHWOEWNSLMSZBP-UHFFFAOYSA-N -1 1 399.450 0.762 20 0 GCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCCc2cn(CCOC)nc21 ZINC000378549344 1189533430 /nfs/dbraw/zinc/53/34/30/1189533430.db2.gz WRXIOIMPKPNIGB-CYBMUJFWSA-N -1 1 397.457 0.785 20 0 GCADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2(N3CCOCC3)CCOCC2)c1 ZINC000416545728 1189545670 /nfs/dbraw/zinc/54/56/70/1189545670.db2.gz IOUSXOANRJBRDV-UHFFFAOYSA-N -1 1 388.442 0.226 20 0 GCADMM Cn1cc(S(=O)(=O)[N-]CC2(c3c(F)cccc3F)CCC2)c(=O)n(C)c1=O ZINC000416585051 1189556296 /nfs/dbraw/zinc/55/62/96/1189556296.db2.gz GLOSXKZKOMVUNQ-UHFFFAOYSA-N -1 1 399.419 0.762 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)o1 ZINC000364004628 1189610051 /nfs/dbraw/zinc/61/00/51/1189610051.db2.gz QXWSYGCIGBYOSD-SNVBAGLBSA-N -1 1 397.413 0.043 20 0 GCADMM COc1ccc(Cc2noc(C[N-]S(=O)(=O)c3cn(C)cn3)n2)cc1OC ZINC000417261055 1189637569 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ZINC001571260684 945423348 /nfs/dbraw/zinc/42/33/48/945423348.db2.gz ZFSTUPACNBXSCY-LBPRGKRZSA-N -1 1 385.432 0.496 20 0 GCADMM O=C(C[C@H]1CCCC(=O)N1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571260699 945423377 /nfs/dbraw/zinc/42/33/77/945423377.db2.gz ZRQZZEJUVGNRNY-VXGBXAGGSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(C[C@H]1CCCC(=O)N1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571260699 945423383 /nfs/dbraw/zinc/42/33/83/945423383.db2.gz ZRQZZEJUVGNRNY-VXGBXAGGSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cscn2)C1 ZINC001571261456 945427118 /nfs/dbraw/zinc/42/71/18/945427118.db2.gz FTGCBQNLPGYKON-MNOVXSKESA-N -1 1 385.457 0.888 20 0 GCADMM CCc1nc(C)c(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)s1 ZINC001571262109 945435556 /nfs/dbraw/zinc/43/55/56/945435556.db2.gz NGEXIVNPQVOPOI-UHFFFAOYSA-N -1 1 385.457 0.946 20 0 GCADMM CCc1nc(C)c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)s1 ZINC001571262109 945435558 /nfs/dbraw/zinc/43/55/58/945435558.db2.gz NGEXIVNPQVOPOI-UHFFFAOYSA-N -1 1 385.457 0.946 20 0 GCADMM Cc1ccn(CC(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c(=O)c1 ZINC001571262791 945441870 /nfs/dbraw/zinc/44/18/70/945441870.db2.gz YCMSZQOQLRMMDW-UHFFFAOYSA-N -1 1 385.453 0.399 20 0 GCADMM C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571262760 945442479 /nfs/dbraw/zinc/44/24/79/945442479.db2.gz XBLGIGIRINQDAZ-GHMZBOCLSA-N -1 1 385.457 0.745 20 0 GCADMM Cc1nc(CC(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001571263340 945455944 /nfs/dbraw/zinc/45/59/44/945455944.db2.gz NHTTXIKADOKMSG-LLVKDONJSA-N -1 1 385.457 0.925 20 0 GCADMM Cc1nc(CC(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001571263340 945455951 /nfs/dbraw/zinc/45/59/51/945455951.db2.gz NHTTXIKADOKMSG-LLVKDONJSA-N -1 1 385.457 0.925 20 0 GCADMM Cc1nc(C)c(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)s1 ZINC001571263540 945460809 /nfs/dbraw/zinc/46/08/09/945460809.db2.gz SOPNUYDVCAPMQF-LDYMZIIASA-N -1 1 385.457 0.867 20 0 GCADMM Cc1nc(C)c(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571263732 945464970 /nfs/dbraw/zinc/46/49/70/945464970.db2.gz XLDNQYBGAJQUQO-NSHDSACASA-N -1 1 385.457 0.986 20 0 GCADMM O=C(Cc1cscn1)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263849 945469703 /nfs/dbraw/zinc/46/97/03/945469703.db2.gz YIDOGMQFVIYKFZ-NSHDSACASA-N -1 1 385.457 0.428 20 0 GCADMM C[C@]1([C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)NC(=O)NC1=O ZINC000820607320 945498507 /nfs/dbraw/zinc/49/85/07/945498507.db2.gz QFKGGOBSYUPBCJ-VXJOIVPMSA-N -1 1 375.414 0.379 20 0 GCADMM C[C@]1([C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)NC(=O)NC1=O ZINC000820607320 945498511 /nfs/dbraw/zinc/49/85/11/945498511.db2.gz QFKGGOBSYUPBCJ-VXJOIVPMSA-N -1 1 375.414 0.379 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571265464 945511945 /nfs/dbraw/zinc/51/19/45/945511945.db2.gz GVOXEJZLBHIBRD-AWEZNQCLSA-N -1 1 385.476 0.568 20 0 GCADMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncc(-c3nnn[n-]3)s1)C2=O ZINC000820697620 945529009 /nfs/dbraw/zinc/52/90/09/945529009.db2.gz JPQBSWXLJVOCKH-ANRSDYALSA-N -1 1 390.429 0.762 20 0 GCADMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncc(-c3nn[n-]n3)s1)C2=O ZINC000820697620 945529015 /nfs/dbraw/zinc/52/90/15/945529015.db2.gz JPQBSWXLJVOCKH-ANRSDYALSA-N -1 1 390.429 0.762 20 0 GCADMM C[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(F)c1 ZINC000820726988 945540530 /nfs/dbraw/zinc/54/05/30/945540530.db2.gz DZTVTRWNFWZWJB-QMTHXVAHSA-N -1 1 385.403 0.991 20 0 GCADMM C[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(F)c1 ZINC000820726986 945540635 /nfs/dbraw/zinc/54/06/35/945540635.db2.gz DZTVTRWNFWZWJB-HZMBPMFUSA-N -1 1 385.403 0.991 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571266851 945555428 /nfs/dbraw/zinc/55/54/28/945555428.db2.gz AJFCSCARGLJLNG-NOZJJQNGSA-N -1 1 386.366 0.929 20 0 GCADMM O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571267265 945564770 /nfs/dbraw/zinc/56/47/70/945564770.db2.gz ODJRXMDGCJDFJG-NSHDSACASA-N -1 1 386.366 0.873 20 0 GCADMM O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571267265 945564776 /nfs/dbraw/zinc/56/47/76/945564776.db2.gz ODJRXMDGCJDFJG-NSHDSACASA-N -1 1 386.366 0.873 20 0 GCADMM CC[C@@H](C)[C@H](O)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820859834 945571704 /nfs/dbraw/zinc/57/17/04/945571704.db2.gz GRJZSOYPXHXYQP-MEBBXXQBSA-N -1 1 386.460 0.982 20 0 GCADMM CC[C@@H](C)[C@H](O)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820859834 945571708 /nfs/dbraw/zinc/57/17/08/945571708.db2.gz GRJZSOYPXHXYQP-MEBBXXQBSA-N -1 1 386.460 0.982 20 0 GCADMM O=C(Cc1c(F)cccc1F)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267525 945572893 /nfs/dbraw/zinc/57/28/93/945572893.db2.gz YBKRNJDKODHEFV-JTQLQIEISA-N -1 1 386.366 0.873 20 0 GCADMM O=C(Cc1c(F)cccc1F)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267525 945572900 /nfs/dbraw/zinc/57/29/00/945572900.db2.gz YBKRNJDKODHEFV-JTQLQIEISA-N -1 1 386.366 0.873 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267624 945574746 /nfs/dbraw/zinc/57/47/46/945574746.db2.gz AMVWMKPYHZTWCN-KKOKHZNYSA-N -1 1 386.416 0.305 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267624 945574758 /nfs/dbraw/zinc/57/47/58/945574758.db2.gz AMVWMKPYHZTWCN-KKOKHZNYSA-N -1 1 386.416 0.305 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001571267859 945581286 /nfs/dbraw/zinc/58/12/86/945581286.db2.gz GUCYVYMRTNADFC-RISCZKNCSA-N -1 1 386.416 0.031 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001571267859 945581288 /nfs/dbraw/zinc/58/12/88/945581288.db2.gz GUCYVYMRTNADFC-RISCZKNCSA-N -1 1 386.416 0.031 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)c1n[nH]cc1F ZINC001571267950 945583696 /nfs/dbraw/zinc/58/36/96/945583696.db2.gz JTWVKDPSIFMSDD-JTQLQIEISA-N -1 1 386.395 0.698 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571268063 945585518 /nfs/dbraw/zinc/58/55/18/945585518.db2.gz MKWWRQNMUNYWPV-UHFFFAOYSA-N -1 1 386.395 0.873 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571268063 945585526 /nfs/dbraw/zinc/58/55/26/945585526.db2.gz MKWWRQNMUNYWPV-UHFFFAOYSA-N -1 1 386.395 0.873 20 0 GCADMM CN(C(=O)c1cnn(CCF)c1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571268224 945589708 /nfs/dbraw/zinc/58/97/08/945589708.db2.gz ORQYYTRVVITRLF-GFCCVEGCSA-N -1 1 386.395 0.174 20 0 GCADMM CN(C(=O)c1cnn(CCF)c1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571268224 945589715 /nfs/dbraw/zinc/58/97/15/945589715.db2.gz ORQYYTRVVITRLF-GFCCVEGCSA-N -1 1 386.395 0.174 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571268243 945591313 /nfs/dbraw/zinc/59/13/13/945591313.db2.gz PHGVRYIJQRQVAV-ZJUUUORDSA-N -1 1 386.395 0.294 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccc(F)s1 ZINC001571268373 945594479 /nfs/dbraw/zinc/59/44/79/945594479.db2.gz FJWHAXAJDRYSOO-OWUUHHOZSA-N -1 1 386.416 0.970 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccc(F)s1 ZINC001571268373 945594484 /nfs/dbraw/zinc/59/44/84/945594484.db2.gz FJWHAXAJDRYSOO-OWUUHHOZSA-N -1 1 386.416 0.970 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571268681 945601794 /nfs/dbraw/zinc/60/17/94/945601794.db2.gz WMFORYDQYZWJNJ-AAEUAGOBSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571268681 945601800 /nfs/dbraw/zinc/60/18/00/945601800.db2.gz WMFORYDQYZWJNJ-AAEUAGOBSA-N -1 1 386.416 0.584 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571268686 945602520 /nfs/dbraw/zinc/60/25/20/945602520.db2.gz WMYRANVUNMTTNQ-JTQLQIEISA-N -1 1 386.395 0.237 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571268686 945602523 /nfs/dbraw/zinc/60/25/23/945602523.db2.gz WMYRANVUNMTTNQ-JTQLQIEISA-N -1 1 386.395 0.237 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1csnn1 ZINC001571269656 945622885 /nfs/dbraw/zinc/62/28/85/945622885.db2.gz BQMZYBFBEVWXGL-UWVGGRQHSA-N -1 1 386.445 0.909 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1csnn1 ZINC001571269656 945622888 /nfs/dbraw/zinc/62/28/88/945622888.db2.gz BQMZYBFBEVWXGL-UWVGGRQHSA-N -1 1 386.445 0.909 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3cnns3)C2)cc(-c2nnn[n-]2)n1 ZINC001571269914 945627665 /nfs/dbraw/zinc/62/76/65/945627665.db2.gz HSEMQIDRIYNBQR-VIFPVBQESA-N -1 1 386.445 0.645 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3cnns3)C2)cc(-c2nn[n-]n2)n1 ZINC001571269914 945627670 /nfs/dbraw/zinc/62/76/70/945627670.db2.gz HSEMQIDRIYNBQR-VIFPVBQESA-N -1 1 386.445 0.645 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1cnns1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571269911 945627707 /nfs/dbraw/zinc/62/77/07/945627707.db2.gz HQZLQUYGOITUDU-SNVBAGLBSA-N -1 1 386.445 0.639 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1cnns1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571269911 945627711 /nfs/dbraw/zinc/62/77/11/945627711.db2.gz HQZLQUYGOITUDU-SNVBAGLBSA-N -1 1 386.445 0.639 20 0 GCADMM CC[C@@H]1CN(C(=O)c2csnn2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571269960 945629292 /nfs/dbraw/zinc/62/92/92/945629292.db2.gz IWWVOBRMGHLQFS-ZJUUUORDSA-N -1 1 386.445 0.861 20 0 GCADMM CC[C@@H]1CN(C(=O)c2csnn2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571269960 945629295 /nfs/dbraw/zinc/62/92/95/945629295.db2.gz IWWVOBRMGHLQFS-ZJUUUORDSA-N -1 1 386.445 0.861 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571269993 945629357 /nfs/dbraw/zinc/62/93/57/945629357.db2.gz JREHRDRBOYIVBX-WCBMZHEXSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571269993 945629362 /nfs/dbraw/zinc/62/93/62/945629362.db2.gz JREHRDRBOYIVBX-WCBMZHEXSA-N -1 1 386.445 0.786 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1cccs1 ZINC001571270055 945631302 /nfs/dbraw/zinc/63/13/02/945631302.db2.gz LPWSQNWPGUMXBA-MXWKQRLJSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1cccs1 ZINC001571270055 945631310 /nfs/dbraw/zinc/63/13/10/945631310.db2.gz LPWSQNWPGUMXBA-MXWKQRLJSA-N -1 1 386.441 0.188 20 0 GCADMM Cc1nnsc1C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571270067 945631778 /nfs/dbraw/zinc/63/17/78/945631778.db2.gz MCXMKEBMLCCBTC-UHFFFAOYSA-N -1 1 386.445 0.392 20 0 GCADMM CO[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ccsc1C ZINC001571270224 945632968 /nfs/dbraw/zinc/63/29/68/945632968.db2.gz NVGDXPZWFVSKMV-CHWSQXEVSA-N -1 1 386.441 0.660 20 0 GCADMM CO[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1ccsc1C ZINC001571270224 945632969 /nfs/dbraw/zinc/63/29/69/945632969.db2.gz NVGDXPZWFVSKMV-CHWSQXEVSA-N -1 1 386.441 0.660 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571270236 945633290 /nfs/dbraw/zinc/63/32/90/945633290.db2.gz OAGAGZCESPNEOO-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571270236 945633298 /nfs/dbraw/zinc/63/32/98/945633298.db2.gz OAGAGZCESPNEOO-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2cnsn2)CC1 ZINC001571270287 945633858 /nfs/dbraw/zinc/63/38/58/945633858.db2.gz PFTCWHWLHQDEOV-VIFPVBQESA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2cnsn2)CC1 ZINC001571270287 945633867 /nfs/dbraw/zinc/63/38/67/945633867.db2.gz PFTCWHWLHQDEOV-VIFPVBQESA-N -1 1 386.445 0.861 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571270308 945635053 /nfs/dbraw/zinc/63/50/53/945635053.db2.gz PWXCPENGAPEUFC-SECBINFHSA-N -1 1 386.445 0.422 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571270308 945635057 /nfs/dbraw/zinc/63/50/57/945635057.db2.gz PWXCPENGAPEUFC-SECBINFHSA-N -1 1 386.445 0.422 20 0 GCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCC[C@@]1(CO)c1ccccc1 ZINC001571270486 945637302 /nfs/dbraw/zinc/63/73/02/945637302.db2.gz UDWOFMHDDAVDPW-QGZVFWFLSA-N -1 1 386.437 0.934 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571270623 945639110 /nfs/dbraw/zinc/63/91/10/945639110.db2.gz WXYHJQKJKCRJRT-SKDRFNHKSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571270623 945639120 /nfs/dbraw/zinc/63/91/20/945639120.db2.gz WXYHJQKJKCRJRT-SKDRFNHKSA-N -1 1 386.445 0.861 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571270616 945639143 /nfs/dbraw/zinc/63/91/43/945639143.db2.gz WUNAEVSYMTXYTC-SNVBAGLBSA-N -1 1 386.445 0.781 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571270616 945639154 /nfs/dbraw/zinc/63/91/54/945639154.db2.gz WUNAEVSYMTXYTC-SNVBAGLBSA-N -1 1 386.445 0.781 20 0 GCADMM O=C(c1ccsc1)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270709 945640962 /nfs/dbraw/zinc/64/09/62/945640962.db2.gz ZOOGUFUKAUECBG-MRXNPFEDSA-N -1 1 386.441 0.797 20 0 GCADMM O=C(c1ccsc1)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270709 945640964 /nfs/dbraw/zinc/64/09/64/945640964.db2.gz ZOOGUFUKAUECBG-MRXNPFEDSA-N -1 1 386.441 0.797 20 0 GCADMM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)c1ncccn1 ZINC001571270725 945642644 /nfs/dbraw/zinc/64/26/44/945642644.db2.gz ZTDNBWPYILADIG-LLVKDONJSA-N -1 1 386.441 0.349 20 0 GCADMM COC1CC(C(=O)N2CCC(N(C)c3nc(C)cc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571272169 945656434 /nfs/dbraw/zinc/65/64/34/945656434.db2.gz ABRZHDZSBIRFGQ-UHFFFAOYSA-N -1 1 386.460 0.817 20 0 GCADMM COC1CC(C(=O)N2CCC(N(C)c3nc(C)cc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571272169 945656441 /nfs/dbraw/zinc/65/64/41/945656441.db2.gz ABRZHDZSBIRFGQ-UHFFFAOYSA-N -1 1 386.460 0.817 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)CC1CCOCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571272387 945661520 /nfs/dbraw/zinc/66/15/20/945661520.db2.gz CNCYMPLQMVCGQO-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)CC1CCOCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571272387 945661523 /nfs/dbraw/zinc/66/15/23/945661523.db2.gz CNCYMPLQMVCGQO-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001571272378 945661781 /nfs/dbraw/zinc/66/17/81/945661781.db2.gz CHKUOOHBLRJUAT-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001571272378 945661785 /nfs/dbraw/zinc/66/17/85/945661785.db2.gz CHKUOOHBLRJUAT-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001571272377 945661937 /nfs/dbraw/zinc/66/19/37/945661937.db2.gz CHKUOOHBLRJUAT-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001571272377 945661942 /nfs/dbraw/zinc/66/19/42/945661942.db2.gz CHKUOOHBLRJUAT-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001571272458 945663842 /nfs/dbraw/zinc/66/38/42/945663842.db2.gz FFNLFQRGLITVGR-KYOSRNDESA-N -1 1 386.460 0.543 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCCO1 ZINC001571272634 945667315 /nfs/dbraw/zinc/66/73/15/945667315.db2.gz GQORAUKCCDQKGY-MGPQQGTHSA-N -1 1 386.460 0.735 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571272698 945669782 /nfs/dbraw/zinc/66/97/82/945669782.db2.gz HSYPOFMOVYOITA-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571272698 945669792 /nfs/dbraw/zinc/66/97/92/945669792.db2.gz HSYPOFMOVYOITA-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001571272910 945673613 /nfs/dbraw/zinc/67/36/13/945673613.db2.gz KTPLMKYGZUQXAB-WBMJQRKESA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571272910 945673620 /nfs/dbraw/zinc/67/36/20/945673620.db2.gz KTPLMKYGZUQXAB-WBMJQRKESA-N -1 1 386.460 0.757 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571272931 945674868 /nfs/dbraw/zinc/67/48/68/945674868.db2.gz LADIEZQTMGZEMX-KGLIPLIRSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571272931 945674873 /nfs/dbraw/zinc/67/48/73/945674873.db2.gz LADIEZQTMGZEMX-KGLIPLIRSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571272933 945676103 /nfs/dbraw/zinc/67/61/03/945676103.db2.gz LADIEZQTMGZEMX-ZIAGYGMSSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571272933 945676110 /nfs/dbraw/zinc/67/61/10/945676110.db2.gz LADIEZQTMGZEMX-ZIAGYGMSSA-N -1 1 386.460 0.758 20 0 GCADMM CN(CC1CCN(C(=O)[C@@H]2CCCOC2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571273051 945677431 /nfs/dbraw/zinc/67/74/31/945677431.db2.gz NXUBSISDMNMJKZ-CQSZACIVSA-N -1 1 386.460 0.758 20 0 GCADMM CN(CC1CCN(C(=O)[C@@H]2CCCOC2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571273051 945677438 /nfs/dbraw/zinc/67/74/38/945677438.db2.gz NXUBSISDMNMJKZ-CQSZACIVSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273106 945679256 /nfs/dbraw/zinc/67/92/56/945679256.db2.gz PLNBICUASHLRIW-KBPBESRZSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273106 945679260 /nfs/dbraw/zinc/67/92/60/945679260.db2.gz PLNBICUASHLRIW-KBPBESRZSA-N -1 1 386.460 0.758 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)n1 ZINC001571273148 945679328 /nfs/dbraw/zinc/67/93/28/945679328.db2.gz QMNLSDOMMCETTI-HIFRSBDPSA-N -1 1 386.460 0.819 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)n1 ZINC001571273148 945679332 /nfs/dbraw/zinc/67/93/32/945679332.db2.gz QMNLSDOMMCETTI-HIFRSBDPSA-N -1 1 386.460 0.819 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1CCCCCC1 ZINC001571273116 945679732 /nfs/dbraw/zinc/67/97/32/945679732.db2.gz PNNJNEIYQYYNNY-UKRRQHHQSA-N -1 1 386.460 0.683 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1CCCCCC1 ZINC001571273116 945679738 /nfs/dbraw/zinc/67/97/38/945679738.db2.gz PNNJNEIYQYYNNY-UKRRQHHQSA-N -1 1 386.460 0.683 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)C[C@@H]3CC(C)(C)CO3)CC2)n1 ZINC001571273175 945681984 /nfs/dbraw/zinc/68/19/84/945681984.db2.gz RTUURVZNOAJWRW-CYBMUJFWSA-N -1 1 386.460 0.819 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)C[C@@H]3CC(C)(C)CO3)CC2)n1 ZINC001571273175 945681988 /nfs/dbraw/zinc/68/19/88/945681988.db2.gz RTUURVZNOAJWRW-CYBMUJFWSA-N -1 1 386.460 0.819 20 0 GCADMM O=C(CC1CCCC1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273208 945682156 /nfs/dbraw/zinc/68/21/56/945682156.db2.gz SRDXBWQSHIKDCV-SFHVURJKSA-N -1 1 386.460 0.424 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273251 945684034 /nfs/dbraw/zinc/68/40/34/945684034.db2.gz UATRVHWDIXCKQR-CHWSQXEVSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273251 945684039 /nfs/dbraw/zinc/68/40/39/945684039.db2.gz UATRVHWDIXCKQR-CHWSQXEVSA-N -1 1 386.460 0.731 20 0 GCADMM CO[C@H]1CCC[C@@H]1C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571273260 945684348 /nfs/dbraw/zinc/68/43/48/945684348.db2.gz UBDZYKJWYPIXGR-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CO[C@H]1CCC[C@@H]1C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571273260 945684353 /nfs/dbraw/zinc/68/43/53/945684353.db2.gz UBDZYKJWYPIXGR-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CO[C@H]1CCC[C@H]1C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571273258 945684412 /nfs/dbraw/zinc/68/44/12/945684412.db2.gz UBDZYKJWYPIXGR-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CO[C@H]1CCC[C@H]1C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571273258 945684417 /nfs/dbraw/zinc/68/44/17/945684417.db2.gz UBDZYKJWYPIXGR-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)C ZINC001571273486 945689650 /nfs/dbraw/zinc/68/96/50/945689650.db2.gz YGYKHEPSSPRJEI-GUTXKFCHSA-N -1 1 386.460 0.897 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)C ZINC001571273486 945689660 /nfs/dbraw/zinc/68/96/60/945689660.db2.gz YGYKHEPSSPRJEI-GUTXKFCHSA-N -1 1 386.460 0.897 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571274107 945693077 /nfs/dbraw/zinc/69/30/77/945693077.db2.gz BEFONVAQXZABBV-MBTKJCJQSA-N -1 1 386.807 0.206 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571274107 945693084 /nfs/dbraw/zinc/69/30/84/945693084.db2.gz BEFONVAQXZABBV-MBTKJCJQSA-N -1 1 386.807 0.206 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ncc(F)cc1F ZINC001571274116 945693253 /nfs/dbraw/zinc/69/32/53/945693253.db2.gz BKKRVAYZAXFVIB-PSASIEDQSA-N -1 1 387.354 0.467 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1c(F)cncc1F ZINC001571274921 945701563 /nfs/dbraw/zinc/70/15/63/945701563.db2.gz MRHDRWGAWXGSSY-KYZUINATSA-N -1 1 387.354 0.372 20 0 GCADMM CCOC1CC(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571275658 945712035 /nfs/dbraw/zinc/71/20/35/945712035.db2.gz ADSULTYUWBOREG-ROKHWSDSSA-N -1 1 386.460 0.947 20 0 GCADMM CCOC1CC(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571275658 945712044 /nfs/dbraw/zinc/71/20/44/945712044.db2.gz ADSULTYUWBOREG-ROKHWSDSSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571275689 945712115 /nfs/dbraw/zinc/71/21/15/945712115.db2.gz AQVVZIANWYKOFT-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571275689 945712124 /nfs/dbraw/zinc/71/21/24/945712124.db2.gz AQVVZIANWYKOFT-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)COC1CCCCC1 ZINC001571275724 945713741 /nfs/dbraw/zinc/71/37/41/945713741.db2.gz BJBQWKYOQPZEJZ-QWHCGFSZSA-N -1 1 386.460 0.829 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571275807 945715336 /nfs/dbraw/zinc/71/53/36/945715336.db2.gz CSTQXVQAXXKFDD-OPDFLTKYSA-N -1 1 386.460 0.951 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571275807 945715345 /nfs/dbraw/zinc/71/53/45/945715345.db2.gz CSTQXVQAXXKFDD-OPDFLTKYSA-N -1 1 386.460 0.951 20 0 GCADMM CC[C@H]1C[C@@H](C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571275819 945715915 /nfs/dbraw/zinc/71/59/15/945715915.db2.gz CZFHZDJQLWOLTR-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@H]1C[C@@H](C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571275819 945715924 /nfs/dbraw/zinc/71/59/24/945715924.db2.gz CZFHZDJQLWOLTR-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1COCC[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571275813 945716686 /nfs/dbraw/zinc/71/66/86/945716686.db2.gz CYBBAMHGLKYRDX-TZMCWYRMSA-N -1 1 386.460 0.757 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571275921 945717739 /nfs/dbraw/zinc/71/77/39/945717739.db2.gz FTACZRBPQHKVEP-HIFRSBDPSA-N -1 1 386.460 0.817 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571275921 945717748 /nfs/dbraw/zinc/71/77/48/945717748.db2.gz FTACZRBPQHKVEP-HIFRSBDPSA-N -1 1 386.460 0.817 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)CCC2CCC2)CCO1 ZINC001571275948 945719880 /nfs/dbraw/zinc/71/98/80/945719880.db2.gz GGTPUSOFFQGUQL-JSGCOSHPSA-N -1 1 386.460 0.687 20 0 GCADMM O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@H]1CCC(=O)N1 ZINC001571276012 945720077 /nfs/dbraw/zinc/72/00/77/945720077.db2.gz CDQBOBNJACTTSQ-UKRRQHHQSA-N -1 1 387.419 0.365 20 0 GCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C[C@@H]1CCCOC1 ZINC001571276079 945723274 /nfs/dbraw/zinc/72/32/74/945723274.db2.gz HANTWYBVCJUTPA-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C[C@@H]1CCCOC1 ZINC001571276079 945723282 /nfs/dbraw/zinc/72/32/82/945723282.db2.gz HANTWYBVCJUTPA-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCOCC1 ZINC001571276131 945725372 /nfs/dbraw/zinc/72/53/72/945725372.db2.gz HUUCHKSZPSPLQA-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001571276131 945725377 /nfs/dbraw/zinc/72/53/77/945725377.db2.gz HUUCHKSZPSPLQA-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1C[C@H](C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001571276101 945725778 /nfs/dbraw/zinc/72/57/78/945725778.db2.gz HFFNGUPEFVJYCZ-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1C[C@H](C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001571276101 945725782 /nfs/dbraw/zinc/72/57/82/945725782.db2.gz HFFNGUPEFVJYCZ-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1C[C@@H](C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001571276104 945726229 /nfs/dbraw/zinc/72/62/29/945726229.db2.gz HFFNGUPEFVJYCZ-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1C[C@@H](C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001571276104 945726232 /nfs/dbraw/zinc/72/62/32/945726232.db2.gz HFFNGUPEFVJYCZ-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC(=O)N(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001571276269 945729338 /nfs/dbraw/zinc/72/93/38/945729338.db2.gz GLPQJHDHOONYQA-UHFFFAOYSA-N -1 1 387.425 0.723 20 0 GCADMM CC(=O)N(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001571276269 945729343 /nfs/dbraw/zinc/72/93/43/945729343.db2.gz GLPQJHDHOONYQA-UHFFFAOYSA-N -1 1 387.425 0.723 20 0 GCADMM CN(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])S(=O)(=O)c1ccccc1 ZINC000821593602 945729869 /nfs/dbraw/zinc/72/98/69/945729869.db2.gz AVUHQWUWTDGRDS-UHFFFAOYSA-N -1 1 388.409 0.832 20 0 GCADMM CCC1(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001571276553 945731528 /nfs/dbraw/zinc/73/15/28/945731528.db2.gz IISNWAIOBLAPQB-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001571276621 945734983 /nfs/dbraw/zinc/73/49/83/945734983.db2.gz JTUTXXKTDLRTPN-KPZWWZAWSA-N -1 1 386.460 0.544 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccnc1N1CCCC1 ZINC000821600180 945737672 /nfs/dbraw/zinc/73/76/72/945737672.db2.gz AZOODROPIQRFHT-UHFFFAOYSA-N -1 1 396.459 0.872 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccnc1N1CCCC1 ZINC000821600180 945737675 /nfs/dbraw/zinc/73/76/75/945737675.db2.gz AZOODROPIQRFHT-UHFFFAOYSA-N -1 1 396.459 0.872 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571277650 945745586 /nfs/dbraw/zinc/74/55/86/945745586.db2.gz MYPFSJQIKUEFKZ-OCCSQVGLSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278691 945757585 /nfs/dbraw/zinc/75/75/85/945757585.db2.gz QZRYLOJMQKYLOT-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278691 945757596 /nfs/dbraw/zinc/75/75/96/945757596.db2.gz QZRYLOJMQKYLOT-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001571278930 945764251 /nfs/dbraw/zinc/76/42/51/945764251.db2.gz RMBYLOCAUSDENY-HIFRSBDPSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001571278930 945764258 /nfs/dbraw/zinc/76/42/58/945764258.db2.gz RMBYLOCAUSDENY-HIFRSBDPSA-N -1 1 386.460 0.901 20 0 GCADMM CCOC1CC(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571278926 945764565 /nfs/dbraw/zinc/76/45/65/945764565.db2.gz RLRFKZDHADTLSH-IYXRBSQSSA-N -1 1 386.460 0.757 20 0 GCADMM CCOC1CC(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571278926 945764571 /nfs/dbraw/zinc/76/45/71/945764571.db2.gz RLRFKZDHADTLSH-IYXRBSQSSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(O)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001571278946 945765139 /nfs/dbraw/zinc/76/51/39/945765139.db2.gz SFDDPENREYYZMQ-OCCSQVGLSA-N -1 1 386.460 0.635 20 0 GCADMM CC(C)(O)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001571278946 945765145 /nfs/dbraw/zinc/76/51/45/945765145.db2.gz SFDDPENREYYZMQ-OCCSQVGLSA-N -1 1 386.460 0.635 20 0 GCADMM O=C(c1csc(=O)[nH]1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571279024 945766663 /nfs/dbraw/zinc/76/66/63/945766663.db2.gz GISDZTCISYXNJC-UHFFFAOYSA-N -1 1 387.429 0.783 20 0 GCADMM O=C(c1csc(=O)[nH]1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571279024 945766678 /nfs/dbraw/zinc/76/66/78/945766678.db2.gz GISDZTCISYXNJC-UHFFFAOYSA-N -1 1 387.429 0.783 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001571279062 945769877 /nfs/dbraw/zinc/76/98/77/945769877.db2.gz HRCKRZLRTKNNNS-VIFPVBQESA-N -1 1 387.429 0.560 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001571279062 945769883 /nfs/dbraw/zinc/76/98/83/945769883.db2.gz HRCKRZLRTKNNNS-VIFPVBQESA-N -1 1 387.429 0.560 20 0 GCADMM O=C(c1csc(=O)[nH]1)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571279205 945771708 /nfs/dbraw/zinc/77/17/08/945771708.db2.gz KZSJOJSDYWDXKZ-VIFPVBQESA-N -1 1 387.429 0.783 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)c2ccsn2)CCO1 ZINC001571279235 945772931 /nfs/dbraw/zinc/77/29/31/945772931.db2.gz LUWHQHUCNHZNKD-BXKDBHETSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)c2ccsn2)CCO1 ZINC001571279235 945772935 /nfs/dbraw/zinc/77/29/35/945772935.db2.gz LUWHQHUCNHZNKD-BXKDBHETSA-N -1 1 387.429 0.455 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3csc(=O)[nH]3)C2)n1 ZINC001571279224 945773034 /nfs/dbraw/zinc/77/30/34/945773034.db2.gz LOXLSTIGSRFDOJ-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571279330 945775502 /nfs/dbraw/zinc/77/55/02/945775502.db2.gz VAJJAKYESFLCCB-CYBMUJFWSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571279330 945775505 /nfs/dbraw/zinc/77/55/05/945775505.db2.gz VAJJAKYESFLCCB-CYBMUJFWSA-N -1 1 386.460 0.493 20 0 GCADMM Cc1ncsc1C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001571279552 945781377 /nfs/dbraw/zinc/78/13/77/945781377.db2.gz RXNZHZJUQSMCIV-JTQLQIEISA-N -1 1 387.429 0.057 20 0 GCADMM Cc1ncsc1C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001571279552 945781386 /nfs/dbraw/zinc/78/13/86/945781386.db2.gz RXNZHZJUQSMCIV-JTQLQIEISA-N -1 1 387.429 0.057 20 0 GCADMM COCc1nc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cs1 ZINC001571279707 945786485 /nfs/dbraw/zinc/78/64/85/945786485.db2.gz SUEIDTQKPQEWRN-KYZUINATSA-N -1 1 387.429 0.054 20 0 GCADMM Cc1nscc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001571279795 945787982 /nfs/dbraw/zinc/78/79/82/945787982.db2.gz VZSSLTSPYNNGHU-SNVBAGLBSA-N -1 1 387.429 0.057 20 0 GCADMM Cc1nscc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001571279795 945787990 /nfs/dbraw/zinc/78/79/90/945787990.db2.gz VZSSLTSPYNNGHU-SNVBAGLBSA-N -1 1 387.429 0.057 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001571279783 945788474 /nfs/dbraw/zinc/78/84/74/945788474.db2.gz VRVXXVWVKOSUGA-UHFFFAOYSA-N -1 1 387.429 0.926 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001571279783 945788481 /nfs/dbraw/zinc/78/84/81/945788481.db2.gz VRVXXVWVKOSUGA-UHFFFAOYSA-N -1 1 387.429 0.926 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001571280004 945792339 /nfs/dbraw/zinc/79/23/39/945792339.db2.gz ZHQXTXJJVQZYNM-COMQUAJESA-N -1 1 386.460 0.945 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C1CCC1 ZINC001571279962 945792983 /nfs/dbraw/zinc/79/29/83/945792983.db2.gz YGIWEIOBKFQOIN-QWHCGFSZSA-N -1 1 386.460 0.539 20 0 GCADMM CCOC1CC(C(=O)N[C@H]2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)C2)C1 ZINC001571280034 945795855 /nfs/dbraw/zinc/79/58/55/945795855.db2.gz ZVRLCSHYYLPFTL-CPCZMJQVSA-N -1 1 386.460 0.729 20 0 GCADMM CCOC1CC(C(=O)N[C@H]2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)C2)C1 ZINC001571280034 945795861 /nfs/dbraw/zinc/79/58/61/945795861.db2.gz ZVRLCSHYYLPFTL-CPCZMJQVSA-N -1 1 386.460 0.729 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573447417 945798833 /nfs/dbraw/zinc/79/88/33/945798833.db2.gz YJTOULCPAUVUHY-QWHCGFSZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573447417 945798839 /nfs/dbraw/zinc/79/88/39/945798839.db2.gz YJTOULCPAUVUHY-QWHCGFSZSA-N -1 1 387.448 0.220 20 0 GCADMM Cc1nsc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)c1-c1nn[n-]n1 ZINC001571281228 945800511 /nfs/dbraw/zinc/80/05/11/945800511.db2.gz FYXXKUIEIWEJQU-UHFFFAOYSA-N -1 1 387.473 0.647 20 0 GCADMM CCn1cc(CC(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571281572 945806220 /nfs/dbraw/zinc/80/62/20/945806220.db2.gz IVJDVCSFCVCOGE-LBPRGKRZSA-N -1 1 387.473 0.786 20 0 GCADMM CC(=O)N1CCN([C@@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)CC1 ZINC001573451124 945832217 /nfs/dbraw/zinc/83/22/17/945832217.db2.gz RHDMYQYXIGYTCI-SNVBAGLBSA-N -1 1 382.881 0.719 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573452249 945845085 /nfs/dbraw/zinc/84/50/85/945845085.db2.gz CIKXEUYEVBGTMG-GTNSWQLSSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573452249 945845098 /nfs/dbraw/zinc/84/50/98/945845098.db2.gz CIKXEUYEVBGTMG-GTNSWQLSSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573452107 945846834 /nfs/dbraw/zinc/84/68/34/945846834.db2.gz AZPPNVHWQWORPJ-SJCJKPOMSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573452107 945846845 /nfs/dbraw/zinc/84/68/45/945846845.db2.gz AZPPNVHWQWORPJ-SJCJKPOMSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453247 945858638 /nfs/dbraw/zinc/85/86/38/945858638.db2.gz KCNAOUVWSRYIRJ-INIZCTEOSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453247 945858651 /nfs/dbraw/zinc/85/86/51/945858651.db2.gz KCNAOUVWSRYIRJ-INIZCTEOSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453297 945860161 /nfs/dbraw/zinc/86/01/61/945860161.db2.gz LBDBGHYKUGTYGU-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453297 945860172 /nfs/dbraw/zinc/86/01/72/945860172.db2.gz LBDBGHYKUGTYGU-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453787 945865165 /nfs/dbraw/zinc/86/51/65/945865165.db2.gz QFYYJDMRUIMCBL-DIFFPNOSSA-N -1 1 389.464 0.466 20 0 GCADMM 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O=C(NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2)[C@]1(F)CCOC1 ZINC001571286600 945953096 /nfs/dbraw/zinc/95/30/96/945953096.db2.gz LZNJNMLHIMZCQF-LRGFGTOESA-N -1 1 388.407 0.625 20 0 GCADMM O=C(N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[C@]1(F)CCOC1 ZINC001571286691 945954580 /nfs/dbraw/zinc/95/45/80/945954580.db2.gz OWBNZIOZNVIBIN-JKDFXYPNSA-N -1 1 388.407 0.355 20 0 GCADMM O=C([C@H]1CCCOC1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286716 945955670 /nfs/dbraw/zinc/95/56/70/945955670.db2.gz PQVPOIIORVDWMM-QWHCGFSZSA-N -1 1 388.432 0.113 20 0 GCADMM O=C([C@H]1CCCOC1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286716 945955675 /nfs/dbraw/zinc/95/56/75/945955675.db2.gz PQVPOIIORVDWMM-QWHCGFSZSA-N -1 1 388.432 0.113 20 0 GCADMM CC1(C)CN(C(=O)CO[C@H]2CCOC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571286653 945955888 /nfs/dbraw/zinc/95/58/88/945955888.db2.gz NRILXIRMOWBGAX-WCQYABFASA-N -1 1 388.432 0.111 20 0 GCADMM CC1(C)CN(C(=O)CO[C@H]2CCOC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571286653 945955903 /nfs/dbraw/zinc/95/59/03/945955903.db2.gz NRILXIRMOWBGAX-WCQYABFASA-N -1 1 388.432 0.111 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)CO[C@H]2CCOC2)n1 ZINC001571286794 945956929 /nfs/dbraw/zinc/95/69/29/945956929.db2.gz RNUBPFJJGCLZRL-STQMWFEESA-N -1 1 388.432 0.174 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)CO[C@H]2CCOC2)n1 ZINC001571286794 945956939 /nfs/dbraw/zinc/95/69/39/945956939.db2.gz RNUBPFJJGCLZRL-STQMWFEESA-N -1 1 388.432 0.174 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)CO[C@@H]2CCOC2)n1 ZINC001571286791 945957609 /nfs/dbraw/zinc/95/76/09/945957609.db2.gz RNUBPFJJGCLZRL-CHWSQXEVSA-N -1 1 388.432 0.174 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)CO[C@@H]2CCOC2)n1 ZINC001571286791 945957613 /nfs/dbraw/zinc/95/76/13/945957613.db2.gz RNUBPFJJGCLZRL-CHWSQXEVSA-N -1 1 388.432 0.174 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571286771 945958433 /nfs/dbraw/zinc/95/84/33/945958433.db2.gz QZRNBGAQKSDNSX-RISCZKNCSA-N -1 1 388.432 0.111 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571286771 945958438 /nfs/dbraw/zinc/95/84/38/945958438.db2.gz QZRNBGAQKSDNSX-RISCZKNCSA-N -1 1 388.432 0.111 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573463602 945958735 /nfs/dbraw/zinc/95/87/35/945958735.db2.gz YSEYGTWXQXVGLB-UHFFFAOYSA-N -1 1 378.462 0.607 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)CC2OCCCO2)n1 ZINC001571286816 945959828 /nfs/dbraw/zinc/95/98/28/945959828.db2.gz SIFOPWVXBQIPFO-GFCCVEGCSA-N -1 1 388.432 0.521 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)CC2OCCCO2)n1 ZINC001571286816 945959837 /nfs/dbraw/zinc/95/98/37/945959837.db2.gz SIFOPWVXBQIPFO-GFCCVEGCSA-N -1 1 388.432 0.521 20 0 GCADMM CO[C@@H]1COCC[C@@H]1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571286948 945962068 /nfs/dbraw/zinc/96/20/68/945962068.db2.gz WNEKKNFRSQSERA-HKUMRIAESA-N -1 1 388.432 0.157 20 0 GCADMM CO[C@@H]1COCC[C@@H]1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571286948 945962078 /nfs/dbraw/zinc/96/20/78/945962078.db2.gz WNEKKNFRSQSERA-HKUMRIAESA-N -1 1 388.432 0.157 20 0 GCADMM CO[C@H]1COCC[C@@H]1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571286945 945962699 /nfs/dbraw/zinc/96/26/99/945962699.db2.gz WNEKKNFRSQSERA-BYNQJWBRSA-N -1 1 388.432 0.157 20 0 GCADMM CO[C@H]1COCC[C@@H]1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571286945 945962702 /nfs/dbraw/zinc/96/27/02/945962702.db2.gz WNEKKNFRSQSERA-BYNQJWBRSA-N -1 1 388.432 0.157 20 0 GCADMM C[C@H]1CN(C(=O)CC2OCCCO2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571286996 945965130 /nfs/dbraw/zinc/96/51/30/945965130.db2.gz XPOLBTNAXLWPHI-NWDGAFQWSA-N -1 1 388.432 0.459 20 0 GCADMM C[C@H]1CN(C(=O)CC2OCCCO2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571286996 945965139 /nfs/dbraw/zinc/96/51/39/945965139.db2.gz XPOLBTNAXLWPHI-NWDGAFQWSA-N -1 1 388.432 0.459 20 0 GCADMM Cc1c(-c2nnn[n-]2)nn(-c2cccnc2)c1NC(=O)[C@@H]1CCCS1(=O)=O ZINC001571287026 945966213 /nfs/dbraw/zinc/96/62/13/945966213.db2.gz YKIANUJBYDCHCM-NSHDSACASA-N -1 1 388.413 0.272 20 0 GCADMM Cc1c(-c2nn[n-]n2)nn(-c2cccnc2)c1NC(=O)[C@@H]1CCCS1(=O)=O ZINC001571287026 945966220 /nfs/dbraw/zinc/96/62/20/945966220.db2.gz YKIANUJBYDCHCM-NSHDSACASA-N -1 1 388.413 0.272 20 0 GCADMM Cc1c(-c2nnn[n-]2)nn(-c2cccnc2)c1NC(=O)[C@H]1CCCS1(=O)=O ZINC001571287025 945966421 /nfs/dbraw/zinc/96/64/21/945966421.db2.gz YKIANUJBYDCHCM-LLVKDONJSA-N -1 1 388.413 0.272 20 0 GCADMM Cc1c(-c2nn[n-]n2)nn(-c2cccnc2)c1NC(=O)[C@H]1CCCS1(=O)=O ZINC001571287025 945966432 /nfs/dbraw/zinc/96/64/32/945966432.db2.gz YKIANUJBYDCHCM-LLVKDONJSA-N -1 1 388.413 0.272 20 0 GCADMM C[C@H]1CN(C(=O)CC2OCCCO2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571286997 945966488 /nfs/dbraw/zinc/96/64/88/945966488.db2.gz XPOLBTNAXLWPHI-RYUDHWBXSA-N -1 1 388.432 0.459 20 0 GCADMM C[C@H]1CN(C(=O)CC2OCCCO2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571286997 945966494 /nfs/dbraw/zinc/96/64/94/945966494.db2.gz XPOLBTNAXLWPHI-RYUDHWBXSA-N -1 1 388.432 0.459 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573464957 945971723 /nfs/dbraw/zinc/97/17/23/945971723.db2.gz SDVCVUXUVDJICK-ZCFIWIBFSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573467784 945984577 /nfs/dbraw/zinc/98/45/77/945984577.db2.gz IAEBZUXHNWBERP-PUSIOWJLSA-N -1 1 378.462 0.558 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001571288466 945987811 /nfs/dbraw/zinc/98/78/11/945987811.db2.gz PCDVLVXCBCUTLJ-KBEZCGTCSA-N -1 1 388.435 0.938 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001571288466 945987818 /nfs/dbraw/zinc/98/78/18/945987818.db2.gz PCDVLVXCBCUTLJ-KBEZCGTCSA-N -1 1 388.435 0.938 20 0 GCADMM O=C([C@H]1Cc2ccccc21)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571288571 945990082 /nfs/dbraw/zinc/99/00/82/945990082.db2.gz QRLRCLUJYCOEFS-LZWOXQAQSA-N -1 1 388.435 0.891 20 0 GCADMM O=C([C@H]1Cc2ccccc21)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571288571 945990091 /nfs/dbraw/zinc/99/00/91/945990091.db2.gz QRLRCLUJYCOEFS-LZWOXQAQSA-N -1 1 388.435 0.891 20 0 GCADMM O=C([C@@H]1Cc2ccccc21)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571288570 945990796 /nfs/dbraw/zinc/99/07/96/945990796.db2.gz QRLRCLUJYCOEFS-IJEWVQPXSA-N -1 1 388.435 0.891 20 0 GCADMM O=C([C@@H]1Cc2ccccc21)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571288570 945990802 /nfs/dbraw/zinc/99/08/02/945990802.db2.gz QRLRCLUJYCOEFS-IJEWVQPXSA-N -1 1 388.435 0.891 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573468532 945996106 /nfs/dbraw/zinc/99/61/06/945996106.db2.gz ONOZIYIFEQGCRK-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573468626 945996938 /nfs/dbraw/zinc/99/69/38/945996938.db2.gz PZZOKUHYJLLATP-BXKDBHETSA-N -1 1 392.489 0.805 20 0 GCADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@@H]1CC2CCC1CC2 ZINC001571289187 945998778 /nfs/dbraw/zinc/99/87/78/945998778.db2.gz WRCHOGNNTPEXJJ-MCIGGMRASA-N -1 1 388.432 0.255 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573469238 946003102 /nfs/dbraw/zinc/00/31/02/946003102.db2.gz TZYPXXAZUTWXGD-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573469238 946003117 /nfs/dbraw/zinc/00/31/17/946003117.db2.gz TZYPXXAZUTWXGD-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM Cc1nsc(N(C)C[C@H]2CCN(C(=O)c3ncn(C)n3)C2)c1-c1nn[n-]n1 ZINC001571289478 946007178 /nfs/dbraw/zinc/00/71/78/946007178.db2.gz FPZATJFHSAHQFX-SNVBAGLBSA-N -1 1 388.461 0.359 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573469733 946009508 /nfs/dbraw/zinc/00/95/08/946009508.db2.gz XDLCCMOYEARNQX-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573469829 946011547 /nfs/dbraw/zinc/01/15/47/946011547.db2.gz XUMWZRRDJQXMSR-MWLCHTKSSA-N -1 1 378.462 0.193 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573469936 946013659 /nfs/dbraw/zinc/01/36/59/946013659.db2.gz AFNZNFRPBSLJBK-JTQLQIEISA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573470425 946024047 /nfs/dbraw/zinc/02/40/47/946024047.db2.gz FDGXFUNNCVEDFA-AAEUAGOBSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573470425 946024060 /nfs/dbraw/zinc/02/40/60/946024060.db2.gz FDGXFUNNCVEDFA-AAEUAGOBSA-N -1 1 387.448 0.140 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)c3cccn3C)[C@H](O)C2)c1-c1nn[n-]n1 ZINC001571290134 946032843 /nfs/dbraw/zinc/03/28/43/946032843.db2.gz VWYFQEXLSBPYIW-CMPLNLGQSA-N -1 1 388.457 0.340 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573470839 946037063 /nfs/dbraw/zinc/03/70/63/946037063.db2.gz KASTYOFVQRMRDZ-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573470839 946037066 /nfs/dbraw/zinc/03/70/66/946037066.db2.gz KASTYOFVQRMRDZ-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)n1 ZINC001571290348 946037760 /nfs/dbraw/zinc/03/77/60/946037760.db2.gz BEXPEJUMRJHQBH-VIFPVBQESA-N -1 1 388.823 0.679 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)n1 ZINC001571290348 946037768 /nfs/dbraw/zinc/03/77/68/946037768.db2.gz BEXPEJUMRJHQBH-VIFPVBQESA-N -1 1 388.823 0.679 20 0 GCADMM CCn1ncc(C(=O)NC[C@H]2CCCN2c2snc(C)c2-c2nn[n-]n2)n1 ZINC001571290299 946039064 /nfs/dbraw/zinc/03/90/64/946039064.db2.gz ZVXKRBVNANPKGJ-SNVBAGLBSA-N -1 1 388.461 0.642 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1c(Cl)cnn1C ZINC001571290446 946041966 /nfs/dbraw/zinc/04/19/66/946041966.db2.gz FGDRVKKDTIXQPQ-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1c(Cl)cnn1C ZINC001571290446 946041980 /nfs/dbraw/zinc/04/19/80/946041980.db2.gz FGDRVKKDTIXQPQ-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290568 946047290 /nfs/dbraw/zinc/04/72/90/946047290.db2.gz IZHPWUWOSRBESQ-HNNXBMFYSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290568 946047299 /nfs/dbraw/zinc/04/72/99/946047299.db2.gz IZHPWUWOSRBESQ-HNNXBMFYSA-N -1 1 388.823 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573471371 946049999 /nfs/dbraw/zinc/04/99/99/946049999.db2.gz OHYQLLPJCPQGAD-MGPLVRAMSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573471373 946050172 /nfs/dbraw/zinc/05/01/72/946050172.db2.gz OHYQLLPJCPQGAD-QLJPJBMISA-N -1 1 392.489 0.807 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571290643 946051807 /nfs/dbraw/zinc/05/18/07/946051807.db2.gz KSEPFVGBNAPMOM-SECBINFHSA-N -1 1 388.823 0.693 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573471665 946052368 /nfs/dbraw/zinc/05/23/68/946052368.db2.gz QEGIPIDBVMLBQX-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573471665 946052376 /nfs/dbraw/zinc/05/23/76/946052376.db2.gz QEGIPIDBVMLBQX-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573472120 946058631 /nfs/dbraw/zinc/05/86/31/946058631.db2.gz SNOPXEUIEPVLKY-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573472120 946058647 /nfs/dbraw/zinc/05/86/47/946058647.db2.gz SNOPXEUIEPVLKY-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CN(C(=O)c1c(Cl)cnn1C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571290918 946060862 /nfs/dbraw/zinc/06/08/62/946060862.db2.gz UNXUOUJWLYYLCL-VIFPVBQESA-N -1 1 388.823 0.395 20 0 GCADMM CN(C(=O)c1c(Cl)cnn1C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571290918 946060875 /nfs/dbraw/zinc/06/08/75/946060875.db2.gz UNXUOUJWLYYLCL-VIFPVBQESA-N -1 1 388.823 0.395 20 0 GCADMM Cn1ncc(Cl)c1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290870 946060904 /nfs/dbraw/zinc/06/09/04/946060904.db2.gz RKXHKKAIFYJNIO-DTORHVGOSA-N -1 1 388.823 0.086 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001571291021 946064605 /nfs/dbraw/zinc/06/46/05/946064605.db2.gz YFDGNUZPDAGREE-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001571291021 946064619 /nfs/dbraw/zinc/06/46/19/946064619.db2.gz YFDGNUZPDAGREE-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC(=O)N1CCC1 ZINC000822459556 946096950 /nfs/dbraw/zinc/09/69/50/946096950.db2.gz SBINNJSCVLGIKD-UHFFFAOYSA-N -1 1 384.400 0.234 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC(=O)N1CCC1 ZINC000822459556 946096958 /nfs/dbraw/zinc/09/69/58/946096958.db2.gz SBINNJSCVLGIKD-UHFFFAOYSA-N -1 1 384.400 0.234 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573475370 946101021 /nfs/dbraw/zinc/10/10/21/946101021.db2.gz SDQCQWZUTJVKBL-YPMHNXCESA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573475370 946101029 /nfs/dbraw/zinc/10/10/29/946101029.db2.gz SDQCQWZUTJVKBL-YPMHNXCESA-N -1 1 387.448 0.364 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cccnc1C1CC1 ZINC001571293364 946102780 /nfs/dbraw/zinc/10/27/80/946102780.db2.gz GNLORQXNKOLDNB-LAQFHYBYSA-N -1 1 389.423 0.794 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cccnc1C1CC1 ZINC001571293364 946102788 /nfs/dbraw/zinc/10/27/88/946102788.db2.gz GNLORQXNKOLDNB-LAQFHYBYSA-N -1 1 389.423 0.794 20 0 GCADMM Cc1nc(C(C)C)sc1C(=O)CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571293420 946105691 /nfs/dbraw/zinc/10/56/91/946105691.db2.gz HXHAFHDQBGCGKO-VIFPVBQESA-N -1 1 389.445 0.907 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573475889 946107569 /nfs/dbraw/zinc/10/75/69/946107569.db2.gz XGFRNUMRVRKWSI-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573475889 946107581 /nfs/dbraw/zinc/10/75/81/946107581.db2.gz XGFRNUMRVRKWSI-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573475944 946109259 /nfs/dbraw/zinc/10/92/59/946109259.db2.gz XUCSFAOJFQGXRQ-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573475944 946109269 /nfs/dbraw/zinc/10/92/69/946109269.db2.gz XUCSFAOJFQGXRQ-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM Cc1nsc(N(C)C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1-c1nnn[n-]1 ZINC000822530646 946116858 /nfs/dbraw/zinc/11/68/58/946116858.db2.gz KUUFCHRUANEXCK-AOOOYVTPSA-N -1 1 389.441 0.770 20 0 GCADMM Cc1nsc(N(C)C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1-c1nn[n-]n1 ZINC000822530646 946116864 /nfs/dbraw/zinc/11/68/64/946116864.db2.gz KUUFCHRUANEXCK-AOOOYVTPSA-N -1 1 389.441 0.770 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCN(c3cnn(C)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000822541912 946118435 /nfs/dbraw/zinc/11/84/35/946118435.db2.gz RGAHSTIGDPROCH-LBPRGKRZSA-N -1 1 399.459 0.959 20 0 GCADMM Cc1oc(NC(=O)CN2CCN(c3cnn(C)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000822547653 946120617 /nfs/dbraw/zinc/12/06/17/946120617.db2.gz AIWBBRPDUJNHBT-UHFFFAOYSA-N -1 1 385.432 0.571 20 0 GCADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)c3[nH]c(=O)[nH]c3C)C2)c1-c1nn[n-]n1 ZINC001571294026 946122712 /nfs/dbraw/zinc/12/27/12/946122712.db2.gz YPCRVFKOSXEAFV-SECBINFHSA-N -1 1 389.445 0.720 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573477420 946134299 /nfs/dbraw/zinc/13/42/99/946134299.db2.gz QMYNXVXLTDFDHD-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573477420 946134306 /nfs/dbraw/zinc/13/43/06/946134306.db2.gz QMYNXVXLTDFDHD-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccn(C(F)F)n1 ZINC001571294467 946136436 /nfs/dbraw/zinc/13/64/36/946136436.db2.gz IBWNLAVJKQZQJV-SECBINFHSA-N -1 1 390.358 0.505 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccn(C(F)F)n1 ZINC001571294467 946136443 /nfs/dbraw/zinc/13/64/43/946136443.db2.gz IBWNLAVJKQZQJV-SECBINFHSA-N -1 1 390.358 0.505 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000822613750 946138433 /nfs/dbraw/zinc/13/84/33/946138433.db2.gz GSEVGFQGOOPGSW-UHFFFAOYSA-N -1 1 389.807 0.805 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000822613750 946138443 /nfs/dbraw/zinc/13/84/43/946138443.db2.gz GSEVGFQGOOPGSW-UHFFFAOYSA-N -1 1 389.807 0.805 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573477575 946138861 /nfs/dbraw/zinc/13/88/61/946138861.db2.gz SCFUWARDELDGMG-JTQLQIEISA-N -1 1 392.489 0.631 20 0 GCADMM CN(C(=O)c1cc(C(F)F)n[nH]1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571294584 946139201 /nfs/dbraw/zinc/13/92/01/946139201.db2.gz JRDTZFIWIXVGGS-QMMMGPOBSA-N -1 1 390.358 0.668 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573478149 946144992 /nfs/dbraw/zinc/14/49/92/946144992.db2.gz VOADVWDTAZPRBE-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573478149 946144998 /nfs/dbraw/zinc/14/49/98/946144998.db2.gz VOADVWDTAZPRBE-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cnn(C(F)F)c1 ZINC001571294814 946145118 /nfs/dbraw/zinc/14/51/18/946145118.db2.gz MONNSAFNSBBHMJ-SCZZXKLOSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cnn(C(F)F)c1 ZINC001571294814 946145126 /nfs/dbraw/zinc/14/51/26/946145126.db2.gz MONNSAFNSBBHMJ-SCZZXKLOSA-N -1 1 390.358 0.963 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573478148 946146206 /nfs/dbraw/zinc/14/62/06/946146206.db2.gz VOADVWDTAZPRBE-NKWVEPMBSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573478148 946146213 /nfs/dbraw/zinc/14/62/13/946146213.db2.gz VOADVWDTAZPRBE-NKWVEPMBSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573478512 946148411 /nfs/dbraw/zinc/14/84/11/946148411.db2.gz XAOYYYJZBZJPKK-GXFFZTMASA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573478512 946148413 /nfs/dbraw/zinc/14/84/13/946148413.db2.gz XAOYYYJZBZJPKK-GXFFZTMASA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573478985 946154121 /nfs/dbraw/zinc/15/41/21/946154121.db2.gz ZUCUBKPUMFOKKU-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573478985 946154127 /nfs/dbraw/zinc/15/41/27/946154127.db2.gz ZUCUBKPUMFOKKU-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CN(C(=O)c1cnn(C(F)F)c1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571295157 946154651 /nfs/dbraw/zinc/15/46/51/946154651.db2.gz VAXMLSBSDDRNLB-JTQLQIEISA-N -1 1 390.358 0.599 20 0 GCADMM O=C(c1ccc(Cl)[nH]1)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571295377 946161490 /nfs/dbraw/zinc/16/14/90/946161490.db2.gz ZBVDACWLINVYAG-VIFPVBQESA-N -1 1 389.807 0.591 20 0 GCADMM O=C(c1ccc(Cl)[nH]1)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571295377 946161496 /nfs/dbraw/zinc/16/14/96/946161496.db2.gz ZBVDACWLINVYAG-VIFPVBQESA-N -1 1 389.807 0.591 20 0 GCADMM Cn1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1C(F)F ZINC001571295380 946162393 /nfs/dbraw/zinc/16/23/93/946162393.db2.gz ZELQNZKZYFKIMY-OCAPTIKFSA-N -1 1 390.358 0.123 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573479562 946163698 /nfs/dbraw/zinc/16/36/98/946163698.db2.gz FGYOSSJMKDEBKU-LURJTMIESA-N -1 1 384.853 0.562 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573479562 946163706 /nfs/dbraw/zinc/16/37/06/946163706.db2.gz FGYOSSJMKDEBKU-LURJTMIESA-N -1 1 384.853 0.562 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573479548 946164186 /nfs/dbraw/zinc/16/41/86/946164186.db2.gz FERAPMFFNGTDRN-WCQYABFASA-N -1 1 387.448 0.047 20 0 GCADMM Cc1nsc(NC[C@H]2CN(C(=O)c3cn[nH]n3)CCCO2)c1-c1nn[n-]n1 ZINC001571295637 946168326 /nfs/dbraw/zinc/16/83/26/946168326.db2.gz AAWOAXWFSMMELV-VIFPVBQESA-N -1 1 390.433 0.093 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573479794 946168481 /nfs/dbraw/zinc/16/84/81/946168481.db2.gz HJSALQBNHRCXPM-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CC[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1nc(C)cs1 ZINC001571295974 946179085 /nfs/dbraw/zinc/17/90/85/946179085.db2.gz LARXIIBEWPUJAB-SNVBAGLBSA-N -1 1 390.429 0.552 20 0 GCADMM CC[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1nc(C)cs1 ZINC001571295973 946179328 /nfs/dbraw/zinc/17/93/28/946179328.db2.gz LARXIIBEWPUJAB-JTQLQIEISA-N -1 1 390.429 0.552 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571296017 946182389 /nfs/dbraw/zinc/18/23/89/946182389.db2.gz MBLSJCHGOSQBSP-RYUDHWBXSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571296017 946182399 /nfs/dbraw/zinc/18/23/99/946182399.db2.gz MBLSJCHGOSQBSP-RYUDHWBXSA-N -1 1 390.423 0.649 20 0 GCADMM O=C([C@H]1Cc2ccccc2O1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571296162 946186477 /nfs/dbraw/zinc/18/64/77/946186477.db2.gz PHWPCZVWLPNTLG-KCQAQPDRSA-N -1 1 390.407 0.450 20 0 GCADMM O=C([C@H]1Cc2ccccc2O1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571296162 946186485 /nfs/dbraw/zinc/18/64/85/946186485.db2.gz PHWPCZVWLPNTLG-KCQAQPDRSA-N -1 1 390.407 0.450 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)C3(F)CCOCC3)C2)n1 ZINC001571296317 946191770 /nfs/dbraw/zinc/19/17/70/946191770.db2.gz UTLRJVLWBHJFOH-GFCCVEGCSA-N -1 1 390.423 0.521 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)C3(F)CCOCC3)C2)n1 ZINC001571296317 946191776 /nfs/dbraw/zinc/19/17/76/946191776.db2.gz UTLRJVLWBHJFOH-GFCCVEGCSA-N -1 1 390.423 0.521 20 0 GCADMM O=C([C@@H]1COc2ccccc21)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571296314 946192523 /nfs/dbraw/zinc/19/25/23/946192523.db2.gz URCLLLWEMRQNIQ-SGMGOOAPSA-N -1 1 390.407 0.622 20 0 GCADMM O=C([C@@H]1COc2ccccc21)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571296314 946192528 /nfs/dbraw/zinc/19/25/28/946192528.db2.gz URCLLLWEMRQNIQ-SGMGOOAPSA-N -1 1 390.407 0.622 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571296522 946196048 /nfs/dbraw/zinc/19/60/48/946196048.db2.gz ZXBYYUZUQNPAQW-YOEHRIQHSA-N -1 1 390.423 0.459 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571296522 946196055 /nfs/dbraw/zinc/19/60/55/946196055.db2.gz ZXBYYUZUQNPAQW-YOEHRIQHSA-N -1 1 390.423 0.459 20 0 GCADMM Cc1nsc(N2CC[C@H](N(C)C(=O)[C@H]3CCCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571297886 946198194 /nfs/dbraw/zinc/19/81/94/946198194.db2.gz CBEAWFKGVRLKPV-WDEREUQCSA-N -1 1 390.473 0.337 20 0 GCADMM Cc1nsc(N2CC[C@@](C)(NC(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571298024 946203513 /nfs/dbraw/zinc/20/35/13/946203513.db2.gz HKKABUWSQFKTKA-QLJPJBMISA-N -1 1 390.473 0.243 20 0 GCADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571298441 946215337 /nfs/dbraw/zinc/21/53/37/946215337.db2.gz NVTJZRQYZPNDTA-QWRGUYRKSA-N -1 1 390.473 0.337 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001571298597 946223175 /nfs/dbraw/zinc/22/31/75/946223175.db2.gz HIOFBQQCELGULD-MLGOLLRUSA-N -1 1 390.451 0.895 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCCC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573485401 946226224 /nfs/dbraw/zinc/22/62/24/946226224.db2.gz SASVTBBKKSZPTC-YPMHNXCESA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCCC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573485401 946226236 /nfs/dbraw/zinc/22/62/36/946226236.db2.gz SASVTBBKKSZPTC-YPMHNXCESA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573485400 946226264 /nfs/dbraw/zinc/22/62/64/946226264.db2.gz SASVTBBKKSZPTC-WCQYABFASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573485400 946226284 /nfs/dbraw/zinc/22/62/84/946226284.db2.gz SASVTBBKKSZPTC-WCQYABFASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573485925 946234324 /nfs/dbraw/zinc/23/43/24/946234324.db2.gz AZCBODJOISKCHK-GEVIPFJHSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573485925 946234330 /nfs/dbraw/zinc/23/43/30/946234330.db2.gz AZCBODJOISKCHK-GEVIPFJHSA-N -1 1 384.853 0.560 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822969166 946242014 /nfs/dbraw/zinc/24/20/14/946242014.db2.gz IONDBHXXRDGYPS-UHFFFAOYSA-N -1 1 388.409 0.879 20 0 GCADMM O=C(CCn1nnc2ccccc2c1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822986983 946247517 /nfs/dbraw/zinc/24/75/17/946247517.db2.gz PHRNSXCWZGOIIP-UHFFFAOYSA-N -1 1 378.352 0.706 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573487271 946249529 /nfs/dbraw/zinc/24/95/29/946249529.db2.gz LODLQLVGJZMDPJ-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573487271 946249539 /nfs/dbraw/zinc/24/95/39/946249539.db2.gz LODLQLVGJZMDPJ-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573487430 946251229 /nfs/dbraw/zinc/25/12/29/946251229.db2.gz OATBWEKONXFENI-BXUZGUMPSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573487430 946251238 /nfs/dbraw/zinc/25/12/38/946251238.db2.gz OATBWEKONXFENI-BXUZGUMPSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573487431 946252663 /nfs/dbraw/zinc/25/26/63/946252663.db2.gz OATBWEKONXFENI-FZMZJTMJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573487431 946252670 /nfs/dbraw/zinc/25/26/70/946252670.db2.gz OATBWEKONXFENI-FZMZJTMJSA-N -1 1 389.464 0.514 20 0 GCADMM Cc1nsc(NC[C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571299595 946257751 /nfs/dbraw/zinc/25/77/51/946257751.db2.gz YHQVONRUEQSZTL-QFYYESIMSA-N -1 1 390.473 0.561 20 0 GCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC001571299880 946265350 /nfs/dbraw/zinc/26/53/50/946265350.db2.gz QDAJQGLWQMLULM-QMMMGPOBSA-N -1 1 390.791 0.926 20 0 GCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC001571299880 946265361 /nfs/dbraw/zinc/26/53/61/946265361.db2.gz QDAJQGLWQMLULM-QMMMGPOBSA-N -1 1 390.791 0.926 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573488654 946271085 /nfs/dbraw/zinc/27/10/85/946271085.db2.gz HLIKLEMHEVCAOW-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573488654 946271094 /nfs/dbraw/zinc/27/10/94/946271094.db2.gz HLIKLEMHEVCAOW-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573488908 946279872 /nfs/dbraw/zinc/27/98/72/946279872.db2.gz PKCWHVHLFQUPDH-LBPRGKRZSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573488908 946279882 /nfs/dbraw/zinc/27/98/82/946279882.db2.gz PKCWHVHLFQUPDH-LBPRGKRZSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573489021 946282104 /nfs/dbraw/zinc/28/21/04/946282104.db2.gz UVJBRNLDBXJGPT-VIFPVBQESA-N -1 1 392.489 0.997 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CNc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573489020 946282279 /nfs/dbraw/zinc/28/22/79/946282279.db2.gz UVJBRNLDBXJGPT-SECBINFHSA-N -1 1 392.489 0.997 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCNc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573489035 946284314 /nfs/dbraw/zinc/28/43/14/946284314.db2.gz VAGZKZJXEJVXFJ-UHFFFAOYSA-N -1 1 392.489 0.951 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573489022 946285363 /nfs/dbraw/zinc/28/53/63/946285363.db2.gz UVNZNVNJBKMSOF-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573489022 946285373 /nfs/dbraw/zinc/28/53/73/946285373.db2.gz UVNZNVNJBKMSOF-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573489087 946285874 /nfs/dbraw/zinc/28/58/74/946285874.db2.gz XCSBZFZPNNEVAW-GHMZBOCLSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573489087 946285884 /nfs/dbraw/zinc/28/58/84/946285884.db2.gz XCSBZFZPNNEVAW-GHMZBOCLSA-N -1 1 387.448 0.411 20 0 GCADMM O=C(CCc1ccncc1)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571302603 946306641 /nfs/dbraw/zinc/30/66/41/946306641.db2.gz CMZTYNZHXDETET-LSDHHAIUSA-N -1 1 391.439 0.722 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571302573 946307308 /nfs/dbraw/zinc/30/73/08/946307308.db2.gz BTKZNXSLVNSQJH-LSDHHAIUSA-N -1 1 391.439 0.940 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571302573 946307321 /nfs/dbraw/zinc/30/73/21/946307321.db2.gz BTKZNXSLVNSQJH-LSDHHAIUSA-N -1 1 391.439 0.940 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571302636 946309230 /nfs/dbraw/zinc/30/92/30/946309230.db2.gz DDJUDNDLYYONIP-CVEARBPZSA-N -1 1 391.439 0.864 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571302636 946309244 /nfs/dbraw/zinc/30/92/44/946309244.db2.gz DDJUDNDLYYONIP-CVEARBPZSA-N -1 1 391.439 0.864 20 0 GCADMM COc1ncc(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)cc1-c1nn[n-]n1 ZINC001571302761 946312118 /nfs/dbraw/zinc/31/21/18/946312118.db2.gz BNEZTPOAKIALHZ-UHFFFAOYSA-N -1 1 391.432 0.919 20 0 GCADMM O=C(CN1CCc2ccccc21)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571302866 946317182 /nfs/dbraw/zinc/31/71/82/946317182.db2.gz HZWGFPODECNRTM-CQSZACIVSA-N -1 1 391.439 0.414 20 0 GCADMM O=C(CN1CCc2ccccc21)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571302866 946317193 /nfs/dbraw/zinc/31/71/93/946317193.db2.gz HZWGFPODECNRTM-CQSZACIVSA-N -1 1 391.439 0.414 20 0 GCADMM O=C(CCc1ccncc1)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571302902 946317811 /nfs/dbraw/zinc/31/78/11/946317811.db2.gz ISZWEMHFAFIEGF-GASCZTMLSA-N -1 1 391.439 0.864 20 0 GCADMM O=C(CCc1ccncc1)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571302902 946317825 /nfs/dbraw/zinc/31/78/25/946317825.db2.gz ISZWEMHFAFIEGF-GASCZTMLSA-N -1 1 391.439 0.864 20 0 GCADMM O=C(CN1CCc2ccccc21)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571302865 946318510 /nfs/dbraw/zinc/31/85/10/946318510.db2.gz HZWGFPODECNRTM-AWEZNQCLSA-N -1 1 391.439 0.414 20 0 GCADMM O=C(CN1CCc2ccccc21)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571302865 946318517 /nfs/dbraw/zinc/31/85/17/946318517.db2.gz HZWGFPODECNRTM-AWEZNQCLSA-N -1 1 391.439 0.414 20 0 GCADMM O=C(c1cc2c([nH]1)CCCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571303032 946324668 /nfs/dbraw/zinc/32/46/68/946324668.db2.gz JLRMUFLIRBOXDI-STQMWFEESA-N -1 1 391.439 0.967 20 0 GCADMM O=C(c1cc2c([nH]1)CCCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571303032 946324681 /nfs/dbraw/zinc/32/46/81/946324681.db2.gz JLRMUFLIRBOXDI-STQMWFEESA-N -1 1 391.439 0.967 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)ccn1 ZINC001571303312 946332268 /nfs/dbraw/zinc/33/22/68/946332268.db2.gz OQVORTOPCDFSIX-UONOGXRCSA-N -1 1 391.439 0.935 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1cccnc1 ZINC001571303323 946332408 /nfs/dbraw/zinc/33/24/08/946332408.db2.gz KFPLTKMSCCGEON-YUELXQCFSA-N -1 1 391.439 0.750 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)ccn1 ZINC001571303311 946332516 /nfs/dbraw/zinc/33/25/16/946332516.db2.gz OQVORTOPCDFSIX-KGLIPLIRSA-N -1 1 391.439 0.935 20 0 GCADMM CC(=O)NCC(=O)N(C)C1CC(Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573496872 946333249 /nfs/dbraw/zinc/33/32/49/946333249.db2.gz FNBVNBWPFAUGQB-UHFFFAOYSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N(C)C1CC(Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573496872 946333257 /nfs/dbraw/zinc/33/32/57/946333257.db2.gz FNBVNBWPFAUGQB-UHFFFAOYSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N(C)C1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573497042 946338676 /nfs/dbraw/zinc/33/86/76/946338676.db2.gz JDZLRDLKIJVJSR-UHFFFAOYSA-N -1 1 392.489 0.949 20 0 GCADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571303636 946341125 /nfs/dbraw/zinc/34/11/25/946341125.db2.gz OKJPZGKQKPFYIB-AAEUAGOBSA-N -1 1 391.432 0.229 20 0 GCADMM CC(=O)NC1CCN(C(=O)CCCN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001573497746 946355523 /nfs/dbraw/zinc/35/55/23/946355523.db2.gz VZPNDLNEJLFEMM-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1CCN(C(=O)CCCN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001573497746 946355536 /nfs/dbraw/zinc/35/55/36/946355536.db2.gz VZPNDLNEJLFEMM-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573499407 946365183 /nfs/dbraw/zinc/36/51/83/946365183.db2.gz CJDICVKYWVVWTP-SVRRBLITSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573499407 946365192 /nfs/dbraw/zinc/36/51/92/946365192.db2.gz CJDICVKYWVVWTP-SVRRBLITSA-N -1 1 384.853 0.372 20 0 GCADMM CCS(=O)(=O)C1(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CC1 ZINC001571305827 946374313 /nfs/dbraw/zinc/37/43/13/946374313.db2.gz LAODZLJCGOHHQM-UHFFFAOYSA-N -1 1 391.500 0.315 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573502087 946385645 /nfs/dbraw/zinc/38/56/45/946385645.db2.gz VAHVVXQXESUUEI-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573502087 946385654 /nfs/dbraw/zinc/38/56/54/946385654.db2.gz VAHVVXQXESUUEI-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503674 946396871 /nfs/dbraw/zinc/39/68/71/946396871.db2.gz BQTOPHVEQZHZOK-SKDRFNHKSA-N -1 1 392.489 0.664 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H]([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503846 946397955 /nfs/dbraw/zinc/39/79/55/946397955.db2.gz CIMGTQAMJHXHIM-KWQFWETISA-N -1 1 378.462 0.417 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503741 946398345 /nfs/dbraw/zinc/39/83/45/946398345.db2.gz BORKKDXFOLDUTB-SKDRFNHKSA-N -1 1 392.489 0.807 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000823289115 946406431 /nfs/dbraw/zinc/40/64/31/946406431.db2.gz BSRLBOOSMWWKEN-UHFFFAOYSA-N -1 1 387.381 0.008 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573504601 946410976 /nfs/dbraw/zinc/41/09/76/946410976.db2.gz HTDNINBWJXZSSW-LLVKDONJSA-N -1 1 378.462 0.195 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCN(C(=O)C2CC2)CC1 ZINC000823396965 946424922 /nfs/dbraw/zinc/42/49/22/946424922.db2.gz PQXADRLPAPMCAW-UHFFFAOYSA-N -1 1 390.425 0.166 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)C2CC2)CC1 ZINC000823396965 946424934 /nfs/dbraw/zinc/42/49/34/946424934.db2.gz PQXADRLPAPMCAW-UHFFFAOYSA-N -1 1 390.425 0.166 20 0 GCADMM CC(=O)NCC(=O)N1CCC([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573506371 946433142 /nfs/dbraw/zinc/43/31/42/946433142.db2.gz RICVURJZDLNOEK-VIFPVBQESA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@H]1C ZINC001573507024 946441623 /nfs/dbraw/zinc/44/16/23/946441623.db2.gz UNMXKMXRHLAUKM-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573507109 946443768 /nfs/dbraw/zinc/44/37/68/946443768.db2.gz UZRWCMKXGDROGS-KWQFWETISA-N -1 1 378.462 0.417 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2COc3ccccc32)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571309521 946447360 /nfs/dbraw/zinc/44/73/60/946447360.db2.gz CJEVBICTARDXJN-BFUOFWGJSA-N -1 1 392.423 0.918 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573507689 946449267 /nfs/dbraw/zinc/44/92/67/946449267.db2.gz WROVEEYNJHGXBN-SMDDNHRTSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573507689 946449275 /nfs/dbraw/zinc/44/92/75/946449275.db2.gz WROVEEYNJHGXBN-SMDDNHRTSA-N -1 1 387.448 0.222 20 0 GCADMM O=C(C[C@H]1OCc2ccccc21)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571309576 946449451 /nfs/dbraw/zinc/44/94/51/946449451.db2.gz DPDZAAWHNMDJEH-MRXNPFEDSA-N -1 1 392.423 0.967 20 0 GCADMM O=C(C[C@H]1OCc2ccccc21)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571309576 946449467 /nfs/dbraw/zinc/44/94/67/946449467.db2.gz DPDZAAWHNMDJEH-MRXNPFEDSA-N -1 1 392.423 0.967 20 0 GCADMM COc1ccccc1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571309703 946451684 /nfs/dbraw/zinc/45/16/84/946451684.db2.gz IBPAAYWWCCFZPV-ZSOGYDGISA-N -1 1 392.423 0.778 20 0 GCADMM CN(C(=O)c1cccc2c1OCC2)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309857 946454507 /nfs/dbraw/zinc/45/45/07/946454507.db2.gz MYJATIWHVIWVLX-ZDUSSCGKSA-N -1 1 392.423 0.943 20 0 GCADMM CN(C(=O)c1cccc2c1OCC2)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309857 946454512 /nfs/dbraw/zinc/45/45/12/946454512.db2.gz MYJATIWHVIWVLX-ZDUSSCGKSA-N -1 1 392.423 0.943 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c(C)c1 ZINC001571309866 946456176 /nfs/dbraw/zinc/45/61/76/946456176.db2.gz NFINMSRGNBYXGW-HALDLXJZSA-N -1 1 392.423 0.838 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c(C)c1 ZINC001571309866 946456184 /nfs/dbraw/zinc/45/61/84/946456184.db2.gz NFINMSRGNBYXGW-HALDLXJZSA-N -1 1 392.423 0.838 20 0 GCADMM Cc1cccc2c1O[C@H](C(=O)N1CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C1)C2 ZINC001571309901 946457424 /nfs/dbraw/zinc/45/74/24/946457424.db2.gz PCGZPNWSMXYAEC-HIFRSBDPSA-N -1 1 392.423 0.982 20 0 GCADMM Cc1cccc2c1O[C@H](C(=O)N1CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C1)C2 ZINC001571309901 946457431 /nfs/dbraw/zinc/45/74/31/946457431.db2.gz PCGZPNWSMXYAEC-HIFRSBDPSA-N -1 1 392.423 0.982 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCOc2ccccc21 ZINC001571310020 946458785 /nfs/dbraw/zinc/45/87/85/946458785.db2.gz SAXSBEWDOGWTRI-TZMCWYRMSA-N -1 1 392.423 0.918 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCOc2ccccc21 ZINC001571310020 946458790 /nfs/dbraw/zinc/45/87/90/946458790.db2.gz SAXSBEWDOGWTRI-TZMCWYRMSA-N -1 1 392.423 0.918 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1OCCc2ccccc21 ZINC001571310151 946463793 /nfs/dbraw/zinc/46/37/93/946463793.db2.gz WXLXRZSGEHOZSM-GUYCJALGSA-N -1 1 392.423 0.666 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1OCCc2ccccc21 ZINC001571310151 946463804 /nfs/dbraw/zinc/46/38/04/946463804.db2.gz WXLXRZSGEHOZSM-GUYCJALGSA-N -1 1 392.423 0.666 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573509617 946464155 /nfs/dbraw/zinc/46/41/55/946464155.db2.gz PNMTVQUIEKAADP-MRVPVSSYSA-N -1 1 384.853 0.516 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571310229 946465674 /nfs/dbraw/zinc/46/56/74/946465674.db2.gz ZDEKLOOLQOSDKN-SMDDNHRTSA-N -1 1 392.423 0.586 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573509775 946467108 /nfs/dbraw/zinc/46/71/08/946467108.db2.gz QXUWULIETSTIMX-NSHDSACASA-N -1 1 378.462 0.561 20 0 GCADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@H]2COC(=O)N2)c1-c1nn[n-]n1 ZINC001571310557 946475141 /nfs/dbraw/zinc/47/51/41/946475141.db2.gz IZLSQZHMDSRSHR-NXEZZACHSA-N -1 1 392.445 0.533 20 0 GCADMM Cc1nsc(N[C@H]2CN(C(=O)[C@H]3COC(=O)N3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571311042 946480674 /nfs/dbraw/zinc/48/06/74/946480674.db2.gz QPFLPBXHYNOBBW-BDAKNGLRSA-N -1 1 392.445 0.389 20 0 GCADMM Cc1nsc(N[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571311044 946482552 /nfs/dbraw/zinc/48/25/52/946482552.db2.gz QPFLPBXHYNOBBW-IUCAKERBSA-N -1 1 392.445 0.389 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573511325 946483580 /nfs/dbraw/zinc/48/35/80/946483580.db2.gz ODNCVLWJSDCZNZ-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM O=C(c1cnn2c1CCC2)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571311169 946483797 /nfs/dbraw/zinc/48/37/97/946483797.db2.gz SGQHVCFIRINHOX-TXEJJXNPSA-N -1 1 392.427 0.293 20 0 GCADMM O=C(c1cnn2c1CCC2)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571311169 946483807 /nfs/dbraw/zinc/48/38/07/946483807.db2.gz SGQHVCFIRINHOX-TXEJJXNPSA-N -1 1 392.427 0.293 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCN(C(=O)c4ccnnc4)C3)C2)n1 ZINC001571312448 946491104 /nfs/dbraw/zinc/49/11/04/946491104.db2.gz DFNJQHKARKLRBR-SFHVURJKSA-N -1 1 392.427 0.498 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCN(C(=O)c4ccnnc4)C3)C2)n1 ZINC001571312448 946491114 /nfs/dbraw/zinc/49/11/14/946491114.db2.gz DFNJQHKARKLRBR-SFHVURJKSA-N -1 1 392.427 0.498 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571312415 946491485 /nfs/dbraw/zinc/49/14/85/946491485.db2.gz CFSLPCJFUUUZNP-STQMWFEESA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571312456 946491826 /nfs/dbraw/zinc/49/18/26/946491826.db2.gz DKYDQHBXYZCQMM-BETUJISGSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571312426 946492040 /nfs/dbraw/zinc/49/20/40/946492040.db2.gz CPLSKAPOWWQDDJ-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571312426 946492045 /nfs/dbraw/zinc/49/20/45/946492045.db2.gz CPLSKAPOWWQDDJ-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1cnccn1)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571312515 946492984 /nfs/dbraw/zinc/49/29/84/946492984.db2.gz GNGDKHSUCCGVQY-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccncn1)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C1 ZINC001571312534 946494524 /nfs/dbraw/zinc/49/45/24/946494524.db2.gz HBEFUKANGIEKJW-AVGNSLFASA-N -1 1 392.427 0.800 20 0 GCADMM O=C(c1ccncn1)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C1 ZINC001571312534 946494531 /nfs/dbraw/zinc/49/45/31/946494531.db2.gz HBEFUKANGIEKJW-AVGNSLFASA-N -1 1 392.427 0.800 20 0 GCADMM O=C(c1cncnc1)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC001571312622 946496378 /nfs/dbraw/zinc/49/63/78/946496378.db2.gz JDQMWPMDIBHULA-IACUBPJLSA-N -1 1 392.427 0.800 20 0 GCADMM O=C(c1cncnc1)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC001571312622 946496392 /nfs/dbraw/zinc/49/63/92/946496392.db2.gz JDQMWPMDIBHULA-IACUBPJLSA-N -1 1 392.427 0.800 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571312653 946497986 /nfs/dbraw/zinc/49/79/86/946497986.db2.gz JTPQXQDJIMVSLC-BETUJISGSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571312653 946497994 /nfs/dbraw/zinc/49/79/94/946497994.db2.gz JTPQXQDJIMVSLC-BETUJISGSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001571312632 946498562 /nfs/dbraw/zinc/49/85/62/946498562.db2.gz JFBKXGAWKGTHRE-WFASDCNBSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001571312632 946498567 /nfs/dbraw/zinc/49/85/67/946498567.db2.gz JFBKXGAWKGTHRE-WFASDCNBSA-N -1 1 392.427 0.578 20 0 GCADMM CC(=O)NCC(=O)NC1CC(CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573512357 946498532 /nfs/dbraw/zinc/49/85/32/946498532.db2.gz FFHIHMDDNGYVAD-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC1CC(CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573512357 946498539 /nfs/dbraw/zinc/49/85/39/946498539.db2.gz FFHIHMDDNGYVAD-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571312627 946498874 /nfs/dbraw/zinc/49/88/74/946498874.db2.gz JESJIRMNDSGREQ-QWHCGFSZSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571312627 946498883 /nfs/dbraw/zinc/49/88/83/946498883.db2.gz JESJIRMNDSGREQ-QWHCGFSZSA-N -1 1 392.427 0.908 20 0 GCADMM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1snc(C)c1-c1nn[n-]n1)C2 ZINC001573512530 946500418 /nfs/dbraw/zinc/50/04/18/946500418.db2.gz GRBNFDAIWMYSTK-UHFFFAOYSA-N -1 1 390.473 0.607 20 0 GCADMM Cc1nccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)nn2)C3)n1 ZINC001571312807 946504026 /nfs/dbraw/zinc/50/40/26/946504026.db2.gz KLDYCNPMVWDFRT-SGTLLEGYSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1nccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)nn2)C3)n1 ZINC001571312807 946504030 /nfs/dbraw/zinc/50/40/30/946504030.db2.gz KLDYCNPMVWDFRT-SGTLLEGYSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571312911 946506513 /nfs/dbraw/zinc/50/65/13/946506513.db2.gz LXRAKODNWMBMAF-SWLSCSKDSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571312911 946506523 /nfs/dbraw/zinc/50/65/23/946506523.db2.gz LXRAKODNWMBMAF-SWLSCSKDSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C2CC2)n1 ZINC001571313060 946510657 /nfs/dbraw/zinc/51/06/57/946510657.db2.gz MPOHCGLLGXDDPL-TXEJJXNPSA-N -1 1 392.427 0.427 20 0 GCADMM CC(=O)NCC(=O)NC1CC(CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573513661 946513224 /nfs/dbraw/zinc/51/32/24/946513224.db2.gz OYABTEJKUYFPFV-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC1CC(CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573513661 946513230 /nfs/dbraw/zinc/51/32/30/946513230.db2.gz OYABTEJKUYFPFV-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)c4cnccn4)[C@@H]3C2)n1 ZINC001571313261 946515658 /nfs/dbraw/zinc/51/56/58/946515658.db2.gz PEAVDDNTUPWTOD-CNDDSTCGSA-N -1 1 392.427 0.121 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)c4cnccn4)[C@@H]3C2)n1 ZINC001571313261 946515664 /nfs/dbraw/zinc/51/56/64/946515664.db2.gz PEAVDDNTUPWTOD-CNDDSTCGSA-N -1 1 392.427 0.121 20 0 GCADMM Cc1nccc(C(=O)N[C@]23CCC[C@@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571313277 946518239 /nfs/dbraw/zinc/51/82/39/946518239.db2.gz PJBWENIXRQETPP-KSSFIOAISA-N -1 1 392.427 0.687 20 0 GCADMM Cc1nccc(C(=O)N[C@]23CCC[C@@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571313277 946518242 /nfs/dbraw/zinc/51/82/42/946518242.db2.gz PJBWENIXRQETPP-KSSFIOAISA-N -1 1 392.427 0.687 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCCC[C@H]1C ZINC001573514147 946520075 /nfs/dbraw/zinc/52/00/75/946520075.db2.gz SVJZMLVDWBXVML-DIFFPNOSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCCC[C@H]1C ZINC001573514147 946520087 /nfs/dbraw/zinc/52/00/87/946520087.db2.gz SVJZMLVDWBXVML-DIFFPNOSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC[C@H]1C ZINC001573514141 946520496 /nfs/dbraw/zinc/52/04/96/946520496.db2.gz SQVLWRGTKKVZIS-PIGZYNQJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC[C@H]1C ZINC001573514141 946520504 /nfs/dbraw/zinc/52/05/04/946520504.db2.gz SQVLWRGTKKVZIS-PIGZYNQJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(C)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573514305 946526096 /nfs/dbraw/zinc/52/60/96/946526096.db2.gz WYHQAAMSSIWTCS-CYBMUJFWSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(C)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573514305 946526103 /nfs/dbraw/zinc/52/61/03/946526103.db2.gz WYHQAAMSSIWTCS-CYBMUJFWSA-N -1 1 384.853 0.198 20 0 GCADMM O=C(c1ccc2c(c1)CCOC2)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571313590 946527219 /nfs/dbraw/zinc/52/72/19/946527219.db2.gz SHWMBKVMWFJNDG-UHFFFAOYSA-N -1 1 392.423 0.692 20 0 GCADMM CCc1nnc(C)cc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571313620 946527661 /nfs/dbraw/zinc/52/76/61/946527661.db2.gz UULIOVHNRRDMRQ-RYUDHWBXSA-N -1 1 392.427 0.421 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571313830 946534840 /nfs/dbraw/zinc/53/48/40/946534840.db2.gz WIFLWWOAVOYTBO-ZDUSSCGKSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571313830 946534850 /nfs/dbraw/zinc/53/48/50/946534850.db2.gz WIFLWWOAVOYTBO-ZDUSSCGKSA-N -1 1 392.427 0.723 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)ncn1 ZINC001571313841 946535638 /nfs/dbraw/zinc/53/56/38/946535638.db2.gz WJGLVLQBERWRRT-QWHCGFSZSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)ncn1 ZINC001571313841 946535648 /nfs/dbraw/zinc/53/56/48/946535648.db2.gz WJGLVLQBERWRRT-QWHCGFSZSA-N -1 1 392.427 0.908 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573515331 946542517 /nfs/dbraw/zinc/54/25/17/946542517.db2.gz KZVCIPZAFOOLLJ-KOLCDFICSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573515761 946550834 /nfs/dbraw/zinc/55/08/34/946550834.db2.gz QRMOQDZXNWREQV-QMMMGPOBSA-N -1 1 384.853 0.198 20 0 GCADMM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824109886 946593333 /nfs/dbraw/zinc/59/33/33/946593333.db2.gz YIUABPYGTLHRIT-SNVBAGLBSA-N -1 1 391.388 0.280 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001571317407 946608456 /nfs/dbraw/zinc/60/84/56/946608456.db2.gz GWNLNPTVIWFDHS-RYUDHWBXSA-N -1 1 392.489 0.198 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001571317407 946608464 /nfs/dbraw/zinc/60/84/64/946608464.db2.gz GWNLNPTVIWFDHS-RYUDHWBXSA-N -1 1 392.489 0.198 20 0 GCADMM CS[C@H](C)C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001571317405 946608705 /nfs/dbraw/zinc/60/87/05/946608705.db2.gz GWNLNPTVIWFDHS-NEPJUHHUSA-N -1 1 392.489 0.198 20 0 GCADMM CS[C@H](C)C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001571317405 946608709 /nfs/dbraw/zinc/60/87/09/946608709.db2.gz GWNLNPTVIWFDHS-NEPJUHHUSA-N -1 1 392.489 0.198 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1ccsc1Cl ZINC001571317519 946612729 /nfs/dbraw/zinc/61/27/29/946612729.db2.gz LDRCNHNXEJWNHP-NXEZZACHSA-N -1 1 392.832 0.351 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1ccsc1Cl ZINC001571317519 946612737 /nfs/dbraw/zinc/61/27/37/946612737.db2.gz LDRCNHNXEJWNHP-NXEZZACHSA-N -1 1 392.832 0.351 20 0 GCADMM CC(=O)NCC(=O)NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573521888 946615129 /nfs/dbraw/zinc/61/51/29/946615129.db2.gz NCSNYPHMWRFZJQ-UHFFFAOYSA-N -1 1 381.400 0.021 20 0 GCADMM CC(=O)NCC(=O)NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573521888 946615135 /nfs/dbraw/zinc/61/51/35/946615135.db2.gz NCSNYPHMWRFZJQ-UHFFFAOYSA-N -1 1 381.400 0.021 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573521927 946615181 /nfs/dbraw/zinc/61/51/81/946615181.db2.gz OYABTEJKUYFPFV-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573521927 946615189 /nfs/dbraw/zinc/61/51/89/946615189.db2.gz OYABTEJKUYFPFV-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM CC[C@@H](SC)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571317652 946616790 /nfs/dbraw/zinc/61/67/90/946616790.db2.gz PPROLBYDJORVCB-MLGOLLRUSA-N -1 1 392.489 0.564 20 0 GCADMM CC[C@@H](SC)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571317652 946616795 /nfs/dbraw/zinc/61/67/95/946616795.db2.gz PPROLBYDJORVCB-MLGOLLRUSA-N -1 1 392.489 0.564 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573522096 946622816 /nfs/dbraw/zinc/62/28/16/946622816.db2.gz AJFZRPDPFCXBRA-LBPRGKRZSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573522096 946622823 /nfs/dbraw/zinc/62/28/23/946622823.db2.gz AJFZRPDPFCXBRA-LBPRGKRZSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573522722 946629438 /nfs/dbraw/zinc/62/94/38/946629438.db2.gz IXMDLXUARNPLKS-NSHDSACASA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573522722 946629441 /nfs/dbraw/zinc/62/94/41/946629441.db2.gz IXMDLXUARNPLKS-NSHDSACASA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522831 946629501 /nfs/dbraw/zinc/62/95/01/946629501.db2.gz KRXHLXFKUCBYEX-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573522831 946629504 /nfs/dbraw/zinc/62/95/04/946629504.db2.gz KRXHLXFKUCBYEX-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573522839 946630611 /nfs/dbraw/zinc/63/06/11/946630611.db2.gz KWZSIJCOZWVKDP-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573522839 946630614 /nfs/dbraw/zinc/63/06/14/946630614.db2.gz KWZSIJCOZWVKDP-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573522969 946632070 /nfs/dbraw/zinc/63/20/70/946632070.db2.gz NQLNWCDDYPRRBY-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573522969 946632074 /nfs/dbraw/zinc/63/20/74/946632074.db2.gz NQLNWCDDYPRRBY-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573523083 946633029 /nfs/dbraw/zinc/63/30/29/946633029.db2.gz NQLNWCDDYPRRBY-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573523083 946633032 /nfs/dbraw/zinc/63/30/32/946633032.db2.gz NQLNWCDDYPRRBY-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573523100 946633773 /nfs/dbraw/zinc/63/37/73/946633773.db2.gz OBJOICXKNMNOLY-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573523100 946633778 /nfs/dbraw/zinc/63/37/78/946633778.db2.gz OBJOICXKNMNOLY-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573523626 946636377 /nfs/dbraw/zinc/63/63/77/946636377.db2.gz SYUAOQDGNKZGSD-NSHDSACASA-N -1 1 389.464 0.068 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573523626 946636381 /nfs/dbraw/zinc/63/63/81/946636381.db2.gz SYUAOQDGNKZGSD-NSHDSACASA-N -1 1 389.464 0.068 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573523723 946638528 /nfs/dbraw/zinc/63/85/28/946638528.db2.gz WIMZNVVLBDQRMO-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573523723 946638535 /nfs/dbraw/zinc/63/85/35/946638535.db2.gz WIMZNVVLBDQRMO-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573523859 946638918 /nfs/dbraw/zinc/63/89/18/946638918.db2.gz XRFMNTJVKDMYQN-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573527546 946644291 /nfs/dbraw/zinc/64/42/91/946644291.db2.gz CEXOZJBIFHOACP-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573527546 946644296 /nfs/dbraw/zinc/64/42/96/946644296.db2.gz CEXOZJBIFHOACP-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573528069 946654301 /nfs/dbraw/zinc/65/43/01/946654301.db2.gz SLLNRATWNDGFHE-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573528069 946654317 /nfs/dbraw/zinc/65/43/17/946654317.db2.gz SLLNRATWNDGFHE-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573528137 946656808 /nfs/dbraw/zinc/65/68/08/946656808.db2.gz VUADOZFNSGAVKR-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573528137 946656815 /nfs/dbraw/zinc/65/68/15/946656815.db2.gz VUADOZFNSGAVKR-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573528232 946660041 /nfs/dbraw/zinc/66/00/41/946660041.db2.gz ZGVITYYLTLNZIT-SNVBAGLBSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573528232 946660047 /nfs/dbraw/zinc/66/00/47/946660047.db2.gz ZGVITYYLTLNZIT-SNVBAGLBSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NCc1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001573533745 946719811 /nfs/dbraw/zinc/71/98/11/946719811.db2.gz YMXWYCYKLLCNLD-UHFFFAOYSA-N -1 1 387.425 0.376 20 0 GCADMM CC(=O)NCc1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001573533745 946719819 /nfs/dbraw/zinc/71/98/19/946719819.db2.gz YMXWYCYKLLCNLD-UHFFFAOYSA-N -1 1 387.425 0.376 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)C(C)C ZINC001573535991 946727864 /nfs/dbraw/zinc/72/78/64/946727864.db2.gz NATVRUYVHIWJNS-GFCCVEGCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)C(C)C ZINC001573535991 946727876 /nfs/dbraw/zinc/72/78/76/946727876.db2.gz NATVRUYVHIWJNS-GFCCVEGCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573536310 946732282 /nfs/dbraw/zinc/73/22/82/946732282.db2.gz SNIBEEYFKRLCEZ-QMTHXVAHSA-N -1 1 389.464 0.290 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573536310 946732290 /nfs/dbraw/zinc/73/22/90/946732290.db2.gz SNIBEEYFKRLCEZ-QMTHXVAHSA-N -1 1 389.464 0.290 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573536423 946735216 /nfs/dbraw/zinc/73/52/16/946735216.db2.gz WXDXJXWZGDIOQF-TWJWRFFLSA-N -1 1 399.459 0.043 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573536423 946735234 /nfs/dbraw/zinc/73/52/34/946735234.db2.gz WXDXJXWZGDIOQF-TWJWRFFLSA-N -1 1 399.459 0.043 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573536645 946738356 /nfs/dbraw/zinc/73/83/56/946738356.db2.gz ZVZGOQQAZPPIQG-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573536645 946738366 /nfs/dbraw/zinc/73/83/66/946738366.db2.gz ZVZGOQQAZPPIQG-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)C ZINC001573536676 946739588 /nfs/dbraw/zinc/73/95/88/946739588.db2.gz AJMUFHDEKYIAOT-OAHLLOKOSA-N -1 1 391.501 0.732 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573537100 946741972 /nfs/dbraw/zinc/74/19/72/946741972.db2.gz HHEKDYKUWJPQOE-SWLSCSKDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573537100 946741981 /nfs/dbraw/zinc/74/19/81/946741981.db2.gz HHEKDYKUWJPQOE-SWLSCSKDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573537375 946746771 /nfs/dbraw/zinc/74/67/71/946746771.db2.gz LSUZZVWVXKMUKK-KOHJWAIASA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573537375 946746776 /nfs/dbraw/zinc/74/67/76/946746776.db2.gz LSUZZVWVXKMUKK-KOHJWAIASA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573537393 946747316 /nfs/dbraw/zinc/74/73/16/946747316.db2.gz MYIUMCJSLDMSSR-IUODEOHRSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537393 946747325 /nfs/dbraw/zinc/74/73/25/946747325.db2.gz MYIUMCJSLDMSSR-IUODEOHRSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573537424 946747377 /nfs/dbraw/zinc/74/73/77/946747377.db2.gz AKIJBJKLYKLBNF-OLZOCXBDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573537424 946747386 /nfs/dbraw/zinc/74/73/86/946747386.db2.gz AKIJBJKLYKLBNF-OLZOCXBDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)C ZINC001573537560 946751791 /nfs/dbraw/zinc/75/17/91/946751791.db2.gz OUYWSFBABSLWIA-OAHLLOKOSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)C ZINC001573537560 946751794 /nfs/dbraw/zinc/75/17/94/946751794.db2.gz OUYWSFBABSLWIA-OAHLLOKOSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1)C(C)C ZINC001573537878 946758271 /nfs/dbraw/zinc/75/82/71/946758271.db2.gz RKGOJKYKFKIPAA-WCQYABFASA-N -1 1 392.489 0.805 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573538247 946765984 /nfs/dbraw/zinc/76/59/84/946765984.db2.gz QWLHNEQZNPMPQU-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573538247 946765987 /nfs/dbraw/zinc/76/59/87/946765987.db2.gz QWLHNEQZNPMPQU-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573538606 946770974 /nfs/dbraw/zinc/77/09/74/946770974.db2.gz YLQCWVTUDJGXEQ-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573538606 946770988 /nfs/dbraw/zinc/77/09/88/946770988.db2.gz YLQCWVTUDJGXEQ-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573538652 946772976 /nfs/dbraw/zinc/77/29/76/946772976.db2.gz ZPOGLZKQZYBWPJ-YPMHNXCESA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573538652 946772984 /nfs/dbraw/zinc/77/29/84/946772984.db2.gz ZPOGLZKQZYBWPJ-YPMHNXCESA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573538625 946773330 /nfs/dbraw/zinc/77/33/30/946773330.db2.gz ZAAYKAYNRWMEHZ-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573538625 946773343 /nfs/dbraw/zinc/77/33/43/946773343.db2.gz ZAAYKAYNRWMEHZ-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573540567 946778257 /nfs/dbraw/zinc/77/82/57/946778257.db2.gz GFNBAOWVNXIIEV-GXFFZTMASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573540567 946778263 /nfs/dbraw/zinc/77/82/63/946778263.db2.gz GFNBAOWVNXIIEV-GXFFZTMASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573540583 946778913 /nfs/dbraw/zinc/77/89/13/946778913.db2.gz GSHOARBJEWLNOH-TVQRCGJNSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540583 946778917 /nfs/dbraw/zinc/77/89/17/946778917.db2.gz GSHOARBJEWLNOH-TVQRCGJNSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573540575 946779046 /nfs/dbraw/zinc/77/90/46/946779046.db2.gz GJMVGXZQXRMXJF-QMTHXVAHSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573540575 946779053 /nfs/dbraw/zinc/77/90/53/946779053.db2.gz GJMVGXZQXRMXJF-QMTHXVAHSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573540565 946779088 /nfs/dbraw/zinc/77/90/88/946779088.db2.gz GCSIWEXDXNSKLJ-BXUZGUMPSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573540565 946779090 /nfs/dbraw/zinc/77/90/90/946779090.db2.gz GCSIWEXDXNSKLJ-BXUZGUMPSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573540627 946779280 /nfs/dbraw/zinc/77/92/80/946779280.db2.gz ILBBYMRUBXBKPN-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573540627 946779285 /nfs/dbraw/zinc/77/92/85/946779285.db2.gz ILBBYMRUBXBKPN-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573541171 946784019 /nfs/dbraw/zinc/78/40/19/946784019.db2.gz NLUJMETUDYLURM-DGCLKSJQSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573541171 946784025 /nfs/dbraw/zinc/78/40/25/946784025.db2.gz NLUJMETUDYLURM-DGCLKSJQSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573541232 946784813 /nfs/dbraw/zinc/78/48/13/946784813.db2.gz PAWNJIYYEXXPJM-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573541232 946784820 /nfs/dbraw/zinc/78/48/20/946784820.db2.gz PAWNJIYYEXXPJM-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573541328 946784986 /nfs/dbraw/zinc/78/49/86/946784986.db2.gz QFRWVZUOUSZWCC-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573541328 946784991 /nfs/dbraw/zinc/78/49/91/946784991.db2.gz QFRWVZUOUSZWCC-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573541313 946785175 /nfs/dbraw/zinc/78/51/75/946785175.db2.gz QAHUPIIJMILZPC-BXKDBHETSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573541313 946785185 /nfs/dbraw/zinc/78/51/85/946785185.db2.gz QAHUPIIJMILZPC-BXKDBHETSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573541230 946786789 /nfs/dbraw/zinc/78/67/89/946786789.db2.gz PAWNJIYYEXXPJM-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573541230 946786791 /nfs/dbraw/zinc/78/67/91/946786791.db2.gz PAWNJIYYEXXPJM-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573541591 946788141 /nfs/dbraw/zinc/78/81/41/946788141.db2.gz SHSQSLFTESDFET-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573541591 946788147 /nfs/dbraw/zinc/78/81/47/946788147.db2.gz SHSQSLFTESDFET-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573541929 946789765 /nfs/dbraw/zinc/78/97/65/946789765.db2.gz YTSPSYDAKDJHPR-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573541929 946789775 /nfs/dbraw/zinc/78/97/75/946789775.db2.gz YTSPSYDAKDJHPR-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573541876 946790062 /nfs/dbraw/zinc/79/00/62/946790062.db2.gz WKXMZSWPFWHWAI-BXUZGUMPSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573541876 946790065 /nfs/dbraw/zinc/79/00/65/946790065.db2.gz WKXMZSWPFWHWAI-BXUZGUMPSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573542168 946792275 /nfs/dbraw/zinc/79/22/75/946792275.db2.gz AJKWEOXCRQHXHY-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573542168 946792280 /nfs/dbraw/zinc/79/22/80/946792280.db2.gz AJKWEOXCRQHXHY-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573541938 946792396 /nfs/dbraw/zinc/79/23/96/946792396.db2.gz ZAAYKAYNRWMEHZ-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573541938 946792401 /nfs/dbraw/zinc/79/24/01/946792401.db2.gz ZAAYKAYNRWMEHZ-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573541958 946792957 /nfs/dbraw/zinc/79/29/57/946792957.db2.gz ZPOGLZKQZYBWPJ-DGCLKSJQSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573541958 946792969 /nfs/dbraw/zinc/79/29/69/946792969.db2.gz ZPOGLZKQZYBWPJ-DGCLKSJQSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573541940 946793290 /nfs/dbraw/zinc/79/32/90/946793290.db2.gz ZDGTWGLXOCQWLB-DGCLKSJQSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)Nc1cc(C(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001573542490 946798032 /nfs/dbraw/zinc/79/80/32/946798032.db2.gz KKAYGWTZASRDBM-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1cc(C(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001573542490 946798041 /nfs/dbraw/zinc/79/80/41/946798041.db2.gz KKAYGWTZASRDBM-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573542791 946801987 /nfs/dbraw/zinc/80/19/87/946801987.db2.gz PIRFPJYEORYEJX-UHFFFAOYSA-N -1 1 384.404 0.118 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573543314 946807123 /nfs/dbraw/zinc/80/71/23/946807123.db2.gz VNJWEGLRDVNGGI-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573543314 946807133 /nfs/dbraw/zinc/80/71/33/946807133.db2.gz VNJWEGLRDVNGGI-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573546909 946821143 /nfs/dbraw/zinc/82/11/43/946821143.db2.gz RHLGMQVJIRJPRU-JTQLQIEISA-N -1 1 381.400 0.267 20 0 GCADMM CC(=O)Nc1nc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001573548573 946857303 /nfs/dbraw/zinc/85/73/03/946857303.db2.gz OSMBNEJMQOSRGH-UHFFFAOYSA-N -1 1 388.417 0.256 20 0 GCADMM CC(=O)Nc1nc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001573548573 946857312 /nfs/dbraw/zinc/85/73/12/946857312.db2.gz OSMBNEJMQOSRGH-UHFFFAOYSA-N -1 1 388.417 0.256 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573548787 946858898 /nfs/dbraw/zinc/85/88/98/946858898.db2.gz VIEUCWCULFKGRL-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573548787 946858917 /nfs/dbraw/zinc/85/89/17/946858917.db2.gz VIEUCWCULFKGRL-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)c1cc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)ccc1F ZINC001573553534 946888563 /nfs/dbraw/zinc/88/85/63/946888563.db2.gz GXRDMQHJJWMOMB-UHFFFAOYSA-N -1 1 387.331 0.500 20 0 GCADMM CC(=O)c1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1 ZINC001573555277 946910139 /nfs/dbraw/zinc/91/01/39/946910139.db2.gz JCYXNKKHBOYFGA-UHFFFAOYSA-N -1 1 382.384 0.881 20 0 GCADMM CC(=O)c1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1 ZINC001573555277 946910144 /nfs/dbraw/zinc/91/01/44/946910144.db2.gz JCYXNKKHBOYFGA-UHFFFAOYSA-N -1 1 382.384 0.881 20 0 GCADMM CC(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)s1 ZINC001573556361 946926320 /nfs/dbraw/zinc/92/63/20/946926320.db2.gz PNOUQIZUQOVPTE-UHFFFAOYSA-N -1 1 388.413 0.943 20 0 GCADMM CC(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)s1 ZINC001573556361 946926327 /nfs/dbraw/zinc/92/63/27/946926327.db2.gz PNOUQIZUQOVPTE-UHFFFAOYSA-N -1 1 388.413 0.943 20 0 GCADMM CC(=O)c1cn(CC(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)nn1 ZINC001573558378 946938601 /nfs/dbraw/zinc/93/86/01/946938601.db2.gz KCSJOIPVUCDBBB-UHFFFAOYSA-N -1 1 392.177 0.457 20 0 GCADMM CC(=O)c1cn(CC(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)nn1 ZINC001573558378 946938614 /nfs/dbraw/zinc/93/86/14/946938614.db2.gz KCSJOIPVUCDBBB-UHFFFAOYSA-N -1 1 392.177 0.457 20 0 GCADMM C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824860518 946954725 /nfs/dbraw/zinc/95/47/25/946954725.db2.gz VJQLIIIDXPVGGE-GHMZBOCLSA-N -1 1 391.436 0.315 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccnc(N(C)C)n1 ZINC000825000791 947037502 /nfs/dbraw/zinc/03/75/02/947037502.db2.gz UXNCHXGIQBTISE-LBPRGKRZSA-N -1 1 381.448 0.223 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccnc(N(C)C)n1 ZINC000825000791 947037516 /nfs/dbraw/zinc/03/75/16/947037516.db2.gz UXNCHXGIQBTISE-LBPRGKRZSA-N -1 1 381.448 0.223 20 0 GCADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825205978 947118252 /nfs/dbraw/zinc/11/82/52/947118252.db2.gz YGEMWQVXWPHWAK-YPMHNXCESA-N -1 1 387.444 0.859 20 0 GCADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825205978 947118258 /nfs/dbraw/zinc/11/82/58/947118258.db2.gz YGEMWQVXWPHWAK-YPMHNXCESA-N -1 1 387.444 0.859 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)[C@@H](CC)CN1C(C)=O ZINC000825206072 947118342 /nfs/dbraw/zinc/11/83/42/947118342.db2.gz YWRWXAVRAOSSOO-OLZOCXBDSA-N -1 1 375.433 0.954 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)[C@@H](CC)CN1C(C)=O ZINC000825206072 947118349 /nfs/dbraw/zinc/11/83/49/947118349.db2.gz YWRWXAVRAOSSOO-OLZOCXBDSA-N -1 1 375.433 0.954 20 0 GCADMM CCOC(=O)C1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000825494267 947205650 /nfs/dbraw/zinc/20/56/50/947205650.db2.gz VAXZRMHZJDKNOK-LLVKDONJSA-N -1 1 386.416 0.037 20 0 GCADMM CCOC(=O)C1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000825494267 947205656 /nfs/dbraw/zinc/20/56/56/947205656.db2.gz VAXZRMHZJDKNOK-LLVKDONJSA-N -1 1 386.416 0.037 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NC(=O)Nc2ccccc2)c1-c1nn[n-]n1 ZINC000825564625 947220955 /nfs/dbraw/zinc/22/09/55/947220955.db2.gz BGACHILFVMLAFB-UHFFFAOYSA-N -1 1 384.356 0.588 20 0 GCADMM CCOC(=O)c1cnn(Cc2cc(=O)n3cccc(C)c3n2)c1-c1nn[n-]n1 ZINC000825570410 947232192 /nfs/dbraw/zinc/23/21/92/947232192.db2.gz KIVFFNLDNDJSCE-UHFFFAOYSA-N -1 1 380.368 0.605 20 0 GCADMM CCOC(=O)c1cnn(CCN2C(=O)c3ccccc3C2=O)c1-c1nn[n-]n1 ZINC000825571360 947236427 /nfs/dbraw/zinc/23/64/27/947236427.db2.gz ZXQORDVFTQGHQZ-UHFFFAOYSA-N -1 1 381.352 0.536 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573591411 947308945 /nfs/dbraw/zinc/30/89/45/947308945.db2.gz BMMOHNKYOFBBRI-SWLSCSKDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573591411 947308958 /nfs/dbraw/zinc/30/89/58/947308958.db2.gz BMMOHNKYOFBBRI-SWLSCSKDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573591382 947310208 /nfs/dbraw/zinc/31/02/08/947310208.db2.gz BBJPZFQWNLPHFD-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573591408 947310494 /nfs/dbraw/zinc/31/04/94/947310494.db2.gz BMMOHNKYOFBBRI-DOMZBBRYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573591408 947310509 /nfs/dbraw/zinc/31/05/09/947310509.db2.gz BMMOHNKYOFBBRI-DOMZBBRYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001573592589 947342685 /nfs/dbraw/zinc/34/26/85/947342685.db2.gz KWBHGMJKXQJNLV-NSHDSACASA-N -1 1 385.436 0.406 20 0 GCADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001573592589 947342696 /nfs/dbraw/zinc/34/26/96/947342696.db2.gz KWBHGMJKXQJNLV-NSHDSACASA-N -1 1 385.436 0.406 20 0 GCADMM CN(C)c1nccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825887472 947360099 /nfs/dbraw/zinc/36/00/99/947360099.db2.gz HAEFXSGWLWKBBS-UHFFFAOYSA-N -1 1 378.393 0.340 20 0 GCADMM CN(C)c1nccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825887472 947360103 /nfs/dbraw/zinc/36/01/03/947360103.db2.gz HAEFXSGWLWKBBS-UHFFFAOYSA-N -1 1 378.393 0.340 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnc2c(cnn2C)c1 ZINC000825934349 947373924 /nfs/dbraw/zinc/37/39/24/947373924.db2.gz NRIDZPRLWCVDKX-UHFFFAOYSA-N -1 1 381.404 0.159 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnc2c(cnn2C)c1 ZINC000825934349 947373930 /nfs/dbraw/zinc/37/39/30/947373930.db2.gz NRIDZPRLWCVDKX-UHFFFAOYSA-N -1 1 381.404 0.159 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573594463 947394158 /nfs/dbraw/zinc/39/41/58/947394158.db2.gz ZIEGIXIUZYKWMT-RYUDHWBXSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573594463 947394165 /nfs/dbraw/zinc/39/41/65/947394165.db2.gz ZIEGIXIUZYKWMT-RYUDHWBXSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573594465 947395541 /nfs/dbraw/zinc/39/55/41/947395541.db2.gz ZIEGIXIUZYKWMT-VXGBXAGGSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573594465 947395553 /nfs/dbraw/zinc/39/55/53/947395553.db2.gz ZIEGIXIUZYKWMT-VXGBXAGGSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573596467 947429759 /nfs/dbraw/zinc/42/97/59/947429759.db2.gz KIZMZRXDFYNHTN-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573596467 947429766 /nfs/dbraw/zinc/42/97/66/947429766.db2.gz KIZMZRXDFYNHTN-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573599182 947448868 /nfs/dbraw/zinc/44/88/68/947448868.db2.gz VICOOXPUGBRJCO-JQWIXIFHSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573599182 947448876 /nfs/dbraw/zinc/44/88/76/947448876.db2.gz VICOOXPUGBRJCO-JQWIXIFHSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573599272 947451352 /nfs/dbraw/zinc/45/13/52/947451352.db2.gz WYQJHCHVJLGBBK-MNOVXSKESA-N -1 1 391.436 0.487 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)N(C)CC(F)(F)F ZINC001573603182 947478582 /nfs/dbraw/zinc/47/85/82/947478582.db2.gz DDKVZMKTGQEGBG-SECBINFHSA-N -1 1 387.370 0.410 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573603182 947478589 /nfs/dbraw/zinc/47/85/89/947478589.db2.gz DDKVZMKTGQEGBG-SECBINFHSA-N -1 1 387.370 0.410 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573607069 947538093 /nfs/dbraw/zinc/53/80/93/947538093.db2.gz DVZGWHVFISQDAI-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573607069 947538105 /nfs/dbraw/zinc/53/81/05/947538105.db2.gz DVZGWHVFISQDAI-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@H](C)C(C)(C)C ZINC001573607516 947549978 /nfs/dbraw/zinc/54/99/78/947549978.db2.gz OHSIQLHMAYAEKR-OLZOCXBDSA-N -1 1 390.492 0.630 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573607826 947552844 /nfs/dbraw/zinc/55/28/44/947552844.db2.gz SCYVOPKQVCWRQY-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573607826 947552851 /nfs/dbraw/zinc/55/28/51/947552851.db2.gz SCYVOPKQVCWRQY-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccc1OCCO ZINC000826179324 947555386 /nfs/dbraw/zinc/55/53/86/947555386.db2.gz JLGHCDPOIXCQBV-UHFFFAOYSA-N -1 1 388.384 0.402 20 0 GCADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccc1OCCO ZINC000826179324 947555396 /nfs/dbraw/zinc/55/53/96/947555396.db2.gz JLGHCDPOIXCQBV-UHFFFAOYSA-N -1 1 388.384 0.402 20 0 GCADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c(C(N)=O)cc1OC ZINC000826180278 947556129 /nfs/dbraw/zinc/55/61/29/947556129.db2.gz ADCDCLGTGMLJBF-UHFFFAOYSA-N -1 1 387.356 0.460 20 0 GCADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c(C(N)=O)cc1OC ZINC000826180278 947556132 /nfs/dbraw/zinc/55/61/32/947556132.db2.gz ADCDCLGTGMLJBF-UHFFFAOYSA-N -1 1 387.356 0.460 20 0 GCADMM COc1cc(OC)cc(OCCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826180878 947561632 /nfs/dbraw/zinc/56/16/32/947561632.db2.gz BADIZZXFVZHXRB-UHFFFAOYSA-N -1 1 388.384 0.918 20 0 GCADMM COc1cc(OC)cc(OCCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826180878 947561638 /nfs/dbraw/zinc/56/16/38/947561638.db2.gz BADIZZXFVZHXRB-UHFFFAOYSA-N -1 1 388.384 0.918 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573614228 947580593 /nfs/dbraw/zinc/58/05/93/947580593.db2.gz DHICRRPJXKBVEX-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573614228 947580600 /nfs/dbraw/zinc/58/06/00/947580600.db2.gz DHICRRPJXKBVEX-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573614341 947584023 /nfs/dbraw/zinc/58/40/23/947584023.db2.gz MAZHEVWTJLFECP-RWMBFGLXSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573614341 947584035 /nfs/dbraw/zinc/58/40/35/947584035.db2.gz MAZHEVWTJLFECP-RWMBFGLXSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573614440 947586049 /nfs/dbraw/zinc/58/60/49/947586049.db2.gz FFTHSMUKVBDQDD-GXTWGEPZSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001573614754 947590094 /nfs/dbraw/zinc/59/00/94/947590094.db2.gz OVCSTTMGUHKGNV-RMRHIDDWSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573614754 947590098 /nfs/dbraw/zinc/59/00/98/947590098.db2.gz OVCSTTMGUHKGNV-RMRHIDDWSA-N -1 1 384.444 0.651 20 0 GCADMM C=Cc1ccc(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573351093 947608022 /nfs/dbraw/zinc/60/80/22/947608022.db2.gz KEAFFCBXYRXHDI-UHFFFAOYSA-N -1 1 380.412 0.846 20 0 GCADMM C=Cc1ccc(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573351093 947608028 /nfs/dbraw/zinc/60/80/28/947608028.db2.gz KEAFFCBXYRXHDI-UHFFFAOYSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573615673 947608999 /nfs/dbraw/zinc/60/89/99/947608999.db2.gz JRIHPNRSXLWFPG-CHWSQXEVSA-N -1 1 379.428 0.538 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573351353 947612107 /nfs/dbraw/zinc/61/21/07/947612107.db2.gz LUHVEFYKPYDXLF-CQSZACIVSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573351353 947612111 /nfs/dbraw/zinc/61/21/11/947612111.db2.gz LUHVEFYKPYDXLF-CQSZACIVSA-N -1 1 380.412 0.845 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573616232 947618805 /nfs/dbraw/zinc/61/88/05/947618805.db2.gz HTOUIHOZYTVKCX-NSHDSACASA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573616232 947618814 /nfs/dbraw/zinc/61/88/14/947618814.db2.gz HTOUIHOZYTVKCX-NSHDSACASA-N -1 1 383.420 0.160 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573354533 947631874 /nfs/dbraw/zinc/63/18/74/947631874.db2.gz CKBMQIFKXZSORZ-IBGZPJMESA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573354533 947631885 /nfs/dbraw/zinc/63/18/85/947631885.db2.gz CKBMQIFKXZSORZ-IBGZPJMESA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573354536 947635105 /nfs/dbraw/zinc/63/51/05/947635105.db2.gz CKBMQIFKXZSORZ-LJQANCHMSA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573354536 947635112 /nfs/dbraw/zinc/63/51/12/947635112.db2.gz CKBMQIFKXZSORZ-LJQANCHMSA-N -1 1 392.423 0.671 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573617495 947636234 /nfs/dbraw/zinc/63/62/34/947636234.db2.gz LUDWVZNWSFXNBE-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573617495 947636243 /nfs/dbraw/zinc/63/62/43/947636243.db2.gz LUDWVZNWSFXNBE-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573355086 947641599 /nfs/dbraw/zinc/64/15/99/947641599.db2.gz MDTZPXBZGXOCAU-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)cc1 ZINC001573355371 947643383 /nfs/dbraw/zinc/64/33/83/947643383.db2.gz OJLIOFCYXWNUHI-LSDHHAIUSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)cc1 ZINC001573355369 947643469 /nfs/dbraw/zinc/64/34/69/947643469.db2.gz OJLIOFCYXWNUHI-HUUCEWRRSA-N -1 1 392.423 0.669 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573617979 947646284 /nfs/dbraw/zinc/64/62/84/947646284.db2.gz OBNZIYNNMNIWMO-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573618846 947654510 /nfs/dbraw/zinc/65/45/10/947654510.db2.gz SRZXNWMNCRZIIJ-TZMCWYRMSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2)C1CC1 ZINC001573623426 947688665 /nfs/dbraw/zinc/68/86/65/947688665.db2.gz FSPFCIZZKFTWEO-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnccn1 ZINC001573363423 947710502 /nfs/dbraw/zinc/71/05/02/947710502.db2.gz NVHVIUNAJXXSFI-CNELAYHGSA-N -1 1 392.427 0.587 20 0 GCADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnccn1 ZINC001573363423 947710508 /nfs/dbraw/zinc/71/05/08/947710508.db2.gz NVHVIUNAJXXSFI-CNELAYHGSA-N -1 1 392.427 0.587 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573627523 947727765 /nfs/dbraw/zinc/72/77/65/947727765.db2.gz CYDIQSICOONENC-STQMWFEESA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573628147 947746192 /nfs/dbraw/zinc/74/61/92/947746192.db2.gz FPVPPQCMHZPGTI-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573628147 947746198 /nfs/dbraw/zinc/74/61/98/947746198.db2.gz FPVPPQCMHZPGTI-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628346 947753213 /nfs/dbraw/zinc/75/32/13/947753213.db2.gz HBAABQZDWQSNBT-GHMZBOCLSA-N -1 1 375.437 0.159 20 0 GCADMM CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573368324 947766718 /nfs/dbraw/zinc/76/67/18/947766718.db2.gz MRCFDSAFALTORR-CYBMUJFWSA-N -1 1 386.460 0.877 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628970 947769541 /nfs/dbraw/zinc/76/95/41/947769541.db2.gz PQXDAGBPFFCOII-NEPJUHHUSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628970 947769545 /nfs/dbraw/zinc/76/95/45/947769545.db2.gz PQXDAGBPFFCOII-NEPJUHHUSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573631111 947797856 /nfs/dbraw/zinc/79/78/56/947797856.db2.gz SZXMRRMMGVPXNG-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573631111 947797863 /nfs/dbraw/zinc/79/78/63/947797863.db2.gz SZXMRRMMGVPXNG-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573631459 947801860 /nfs/dbraw/zinc/80/18/60/947801860.db2.gz VFSLTWUAFAKESA-TZMCWYRMSA-N -1 1 379.428 0.680 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)c1-c1nnn[n-]1 ZINC000826282024 947809432 /nfs/dbraw/zinc/80/94/32/947809432.db2.gz VBFMBPFDGHXIAW-UHFFFAOYSA-N -1 1 395.423 0.999 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)c1-c1nn[n-]n1 ZINC000826282024 947809442 /nfs/dbraw/zinc/80/94/42/947809442.db2.gz VBFMBPFDGHXIAW-UHFFFAOYSA-N -1 1 395.423 0.999 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573374514 947809613 /nfs/dbraw/zinc/80/96/13/947809613.db2.gz NMTOFERYUHNSCG-ZIAGYGMSSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573374514 947809620 /nfs/dbraw/zinc/80/96/20/947809620.db2.gz NMTOFERYUHNSCG-ZIAGYGMSSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccnc1 ZINC001573637643 947819840 /nfs/dbraw/zinc/81/98/40/947819840.db2.gz LVOYEXMRYZZAGN-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccnc1 ZINC001573637643 947819854 /nfs/dbraw/zinc/81/98/54/947819854.db2.gz LVOYEXMRYZZAGN-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM CC(=O)CCCC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573375958 947827642 /nfs/dbraw/zinc/82/76/42/947827642.db2.gz RPLPNLHIFWWLHQ-UHFFFAOYSA-N -1 1 384.444 0.677 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cccnc1 ZINC001573637919 947828254 /nfs/dbraw/zinc/82/82/54/947828254.db2.gz WDSJHTGFXCHCOG-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001573637919 947828259 /nfs/dbraw/zinc/82/82/59/947828259.db2.gz WDSJHTGFXCHCOG-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573376080 947829886 /nfs/dbraw/zinc/82/98/86/947829886.db2.gz VZSNEKFIKSRYBG-ZIAGYGMSSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573376080 947829901 /nfs/dbraw/zinc/82/99/01/947829901.db2.gz VZSNEKFIKSRYBG-ZIAGYGMSSA-N -1 1 384.444 0.843 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573638018 947832393 /nfs/dbraw/zinc/83/23/93/947832393.db2.gz YVAJBNSHLWQAAE-MNOVXSKESA-N -1 1 376.421 0.742 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376405 947836652 /nfs/dbraw/zinc/83/66/52/947836652.db2.gz ZTKVTDVXLZZLLJ-KGLIPLIRSA-N -1 1 384.444 0.843 20 0 GCADMM C[C@H](C(=O)N1CCN(c2cc(Cl)ccn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573638394 947837617 /nfs/dbraw/zinc/83/76/17/947837617.db2.gz MKTLVLGZMXMKKX-SNVBAGLBSA-N -1 1 388.823 0.416 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573376668 947839980 /nfs/dbraw/zinc/83/99/80/947839980.db2.gz AUUYPDVEHPSTHC-CYBMUJFWSA-N -1 1 388.432 0.445 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573376668 947839986 /nfs/dbraw/zinc/83/99/86/947839986.db2.gz AUUYPDVEHPSTHC-CYBMUJFWSA-N -1 1 388.432 0.445 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573638882 947844126 /nfs/dbraw/zinc/84/41/26/947844126.db2.gz XPHOEFWLGBMTLC-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573638882 947844137 /nfs/dbraw/zinc/84/41/37/947844137.db2.gz XPHOEFWLGBMTLC-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573376923 947845192 /nfs/dbraw/zinc/84/51/92/947845192.db2.gz FKMYABXNCKOKRP-OKILXGFUSA-N -1 1 384.444 0.619 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573376923 947845203 /nfs/dbraw/zinc/84/52/03/947845203.db2.gz FKMYABXNCKOKRP-OKILXGFUSA-N -1 1 384.444 0.619 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573377624 947851018 /nfs/dbraw/zinc/85/10/18/947851018.db2.gz PFAXENVUHWWWJG-OCCSQVGLSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573377624 947851027 /nfs/dbraw/zinc/85/10/27/947851027.db2.gz PFAXENVUHWWWJG-OCCSQVGLSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001573377993 947852462 /nfs/dbraw/zinc/85/24/62/947852462.db2.gz UQYZNSUYXBOINS-ACJLOTCBSA-N -1 1 384.444 0.701 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001573377993 947852470 /nfs/dbraw/zinc/85/24/70/947852470.db2.gz UQYZNSUYXBOINS-ACJLOTCBSA-N -1 1 384.444 0.701 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573641795 947858220 /nfs/dbraw/zinc/85/82/20/947858220.db2.gz NIVIIYDEFMMAEQ-CHWSQXEVSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573641795 947858233 /nfs/dbraw/zinc/85/82/33/947858233.db2.gz NIVIIYDEFMMAEQ-CHWSQXEVSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573642205 947858788 /nfs/dbraw/zinc/85/87/88/947858788.db2.gz OLWJGSWCVWXZON-RYUDHWBXSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573642205 947858797 /nfs/dbraw/zinc/85/87/97/947858797.db2.gz OLWJGSWCVWXZON-RYUDHWBXSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573641836 947858875 /nfs/dbraw/zinc/85/88/75/947858875.db2.gz NXEBULPGMKKNBT-OCCSQVGLSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573641758 947859251 /nfs/dbraw/zinc/85/92/51/947859251.db2.gz NDXGAVGKWSMVEE-RYUDHWBXSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573641758 947859258 /nfs/dbraw/zinc/85/92/58/947859258.db2.gz NDXGAVGKWSMVEE-RYUDHWBXSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573643720 947866660 /nfs/dbraw/zinc/86/66/60/947866660.db2.gz WVSLZJPAQBGDCW-QWHCGFSZSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573643720 947866667 /nfs/dbraw/zinc/86/66/67/947866667.db2.gz WVSLZJPAQBGDCW-QWHCGFSZSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573643734 947867123 /nfs/dbraw/zinc/86/71/23/947867123.db2.gz XBRJZDGCLYBOBW-ZJUUUORDSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573643734 947867132 /nfs/dbraw/zinc/86/71/32/947867132.db2.gz XBRJZDGCLYBOBW-ZJUUUORDSA-N -1 1 382.375 0.587 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573381203 947871119 /nfs/dbraw/zinc/87/11/19/947871119.db2.gz QLUADTVSQTVEIM-KRWDZBQOSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573381203 947871124 /nfs/dbraw/zinc/87/11/24/947871124.db2.gz QLUADTVSQTVEIM-KRWDZBQOSA-N -1 1 388.432 0.128 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cccnc1 ZINC001573645831 947871485 /nfs/dbraw/zinc/87/14/85/947871485.db2.gz BSCCFTAFCOFZLB-DUVNUKRYSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cccnc1 ZINC001573645831 947871492 /nfs/dbraw/zinc/87/14/92/947871492.db2.gz BSCCFTAFCOFZLB-DUVNUKRYSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(F)(F)F ZINC001573646224 947873474 /nfs/dbraw/zinc/87/34/74/947873474.db2.gz HXZJMOSBFHMDHS-KXUCPTDWSA-N -1 1 382.350 0.892 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(F)(F)F ZINC001573646224 947873481 /nfs/dbraw/zinc/87/34/81/947873481.db2.gz HXZJMOSBFHMDHS-KXUCPTDWSA-N -1 1 382.350 0.892 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1cccc1 ZINC001573646412 947875126 /nfs/dbraw/zinc/87/51/26/947875126.db2.gz LXVLJUXSBDMNJT-VNHYZAJKSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1cccc1 ZINC001573646412 947875135 /nfs/dbraw/zinc/87/51/35/947875135.db2.gz LXVLJUXSBDMNJT-VNHYZAJKSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001573646423 947876306 /nfs/dbraw/zinc/87/63/06/947876306.db2.gz MFEKAHRASQJBMX-MELADBBJSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(F)(F)F ZINC001573646728 947877828 /nfs/dbraw/zinc/87/78/28/947877828.db2.gz QZTCGVFOPNKRMY-WCABBAIRSA-N -1 1 382.350 0.892 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(F)(F)F ZINC001573646728 947877836 /nfs/dbraw/zinc/87/78/36/947877836.db2.gz QZTCGVFOPNKRMY-WCABBAIRSA-N -1 1 382.350 0.892 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(F)(F)F ZINC001573646727 947878432 /nfs/dbraw/zinc/87/84/32/947878432.db2.gz QZTCGVFOPNKRMY-ATZCPNFKSA-N -1 1 382.350 0.892 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(F)(F)F ZINC001573646727 947878437 /nfs/dbraw/zinc/87/84/37/947878437.db2.gz QZTCGVFOPNKRMY-ATZCPNFKSA-N -1 1 382.350 0.892 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cccnc1 ZINC001573646799 947880147 /nfs/dbraw/zinc/88/01/47/947880147.db2.gz VSKJWIOCBKIBHE-AEGPPILISA-N -1 1 391.439 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cccnc1 ZINC001573646799 947880154 /nfs/dbraw/zinc/88/01/54/947880154.db2.gz VSKJWIOCBKIBHE-AEGPPILISA-N -1 1 391.439 0.893 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)c1ccco1 ZINC001573647054 947883245 /nfs/dbraw/zinc/88/32/45/947883245.db2.gz BCOCPXQUPNSASS-JHJVBQTASA-N -1 1 382.428 0.982 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1ccco1 ZINC001573647273 947890290 /nfs/dbraw/zinc/89/02/90/947890290.db2.gz GQPDYYGWFULWLF-UPJWGTAASA-N -1 1 380.412 0.948 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1ccco1 ZINC001573647273 947890295 /nfs/dbraw/zinc/89/02/95/947890295.db2.gz GQPDYYGWFULWLF-UPJWGTAASA-N -1 1 380.412 0.948 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573647346 947892653 /nfs/dbraw/zinc/89/26/53/947892653.db2.gz ILBOFEYBCKBFPZ-UHIISALHSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573647346 947892662 /nfs/dbraw/zinc/89/26/62/947892662.db2.gz ILBOFEYBCKBFPZ-UHIISALHSA-N -1 1 382.432 0.453 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573384563 947906511 /nfs/dbraw/zinc/90/65/11/947906511.db2.gz RDIWZYXGCQDONA-IPYPFGDCSA-N -1 1 384.444 0.950 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573384563 947906523 /nfs/dbraw/zinc/90/65/23/947906523.db2.gz RDIWZYXGCQDONA-IPYPFGDCSA-N -1 1 384.444 0.950 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC001573387852 947913092 /nfs/dbraw/zinc/91/30/92/947913092.db2.gz FEBDTIMDZCXDFU-UHFFFAOYSA-N -1 1 375.437 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC001573387852 947913099 /nfs/dbraw/zinc/91/30/99/947913099.db2.gz FEBDTIMDZCXDFU-UHFFFAOYSA-N -1 1 375.437 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573387903 947915462 /nfs/dbraw/zinc/91/54/62/947915462.db2.gz FZPPOBDOHRPBSI-SSDOTTSWSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573387903 947915471 /nfs/dbraw/zinc/91/54/71/947915471.db2.gz FZPPOBDOHRPBSI-SSDOTTSWSA-N -1 1 386.869 0.714 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573651877 947925614 /nfs/dbraw/zinc/92/56/14/947925614.db2.gz QEXRYJMKKFLIEE-XBFCOCLRSA-N -1 1 377.412 0.645 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573651877 947925617 /nfs/dbraw/zinc/92/56/17/947925617.db2.gz QEXRYJMKKFLIEE-XBFCOCLRSA-N -1 1 377.412 0.645 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)n1cccc1 ZINC001573651991 947926977 /nfs/dbraw/zinc/92/69/77/947926977.db2.gz TWPWRXSRJMUAKG-MCIONIFRSA-N -1 1 379.428 0.614 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)n1cccc1 ZINC001573651991 947926980 /nfs/dbraw/zinc/92/69/80/947926980.db2.gz TWPWRXSRJMUAKG-MCIONIFRSA-N -1 1 379.428 0.614 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573391820 947938214 /nfs/dbraw/zinc/93/82/14/947938214.db2.gz LZJBQTRAGOWZBF-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573391820 947938221 /nfs/dbraw/zinc/93/82/21/947938221.db2.gz LZJBQTRAGOWZBF-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573392016 947939471 /nfs/dbraw/zinc/93/94/71/947939471.db2.gz PBWBTCNOSRKFIK-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573392016 947939478 /nfs/dbraw/zinc/93/94/78/947939478.db2.gz PBWBTCNOSRKFIK-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573392240 947944621 /nfs/dbraw/zinc/94/46/21/947944621.db2.gz YGMWLSJOCOKCAR-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573392240 947944629 /nfs/dbraw/zinc/94/46/29/947944629.db2.gz YGMWLSJOCOKCAR-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573392402 947947284 /nfs/dbraw/zinc/94/72/84/947947284.db2.gz AMXOHJJFRAQLJX-RISCZKNCSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573392402 947947291 /nfs/dbraw/zinc/94/72/91/947947291.db2.gz AMXOHJJFRAQLJX-RISCZKNCSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(N(C)c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573392636 947948240 /nfs/dbraw/zinc/94/82/40/947948240.db2.gz CVJFRNYJAJPBHF-UHFFFAOYSA-N -1 1 392.489 0.537 20 0 GCADMM Cc1nc(CN2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)oc1C ZINC000826325581 947949538 /nfs/dbraw/zinc/94/95/38/947949538.db2.gz CZHBGUFKRWVGQK-UHFFFAOYSA-N -1 1 386.416 0.655 20 0 GCADMM Cc1nc(CN2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)oc1C ZINC000826325581 947949544 /nfs/dbraw/zinc/94/95/44/947949544.db2.gz CZHBGUFKRWVGQK-UHFFFAOYSA-N -1 1 386.416 0.655 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573392668 947950016 /nfs/dbraw/zinc/95/00/16/947950016.db2.gz DKQCZMPUISSOGZ-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573392668 947950023 /nfs/dbraw/zinc/95/00/23/947950023.db2.gz DKQCZMPUISSOGZ-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573653211 947954252 /nfs/dbraw/zinc/95/42/52/947954252.db2.gz JSDOTJWUKPDACC-QLJPJBMISA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573653211 947954261 /nfs/dbraw/zinc/95/42/61/947954261.db2.gz JSDOTJWUKPDACC-QLJPJBMISA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001573393404 947956863 /nfs/dbraw/zinc/95/68/63/947956863.db2.gz LQRSLUNSSBEGMU-AAEUAGOBSA-N -1 1 387.448 0.235 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001573393404 947956871 /nfs/dbraw/zinc/95/68/71/947956871.db2.gz LQRSLUNSSBEGMU-AAEUAGOBSA-N -1 1 387.448 0.235 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573394348 947963227 /nfs/dbraw/zinc/96/32/27/947963227.db2.gz SIQYMURDANEAHD-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573394348 947963235 /nfs/dbraw/zinc/96/32/35/947963235.db2.gz SIQYMURDANEAHD-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)n1cncn1 ZINC001573654478 947965529 /nfs/dbraw/zinc/96/55/29/947965529.db2.gz RJOZBMBXXXDHCJ-MNOVXSKESA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)n1cncn1 ZINC001573654478 947965537 /nfs/dbraw/zinc/96/55/37/947965537.db2.gz RJOZBMBXXXDHCJ-MNOVXSKESA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001573654431 947965921 /nfs/dbraw/zinc/96/59/21/947965921.db2.gz QSWJOULIHQOJFZ-GTNSWQLSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001573654431 947965933 /nfs/dbraw/zinc/96/59/33/947965933.db2.gz QSWJOULIHQOJFZ-GTNSWQLSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001573654430 947966509 /nfs/dbraw/zinc/96/65/09/947966509.db2.gz QSWJOULIHQOJFZ-DIFFPNOSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001573654430 947966514 /nfs/dbraw/zinc/96/65/14/947966514.db2.gz QSWJOULIHQOJFZ-DIFFPNOSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)n1cncn1 ZINC001573654480 947966683 /nfs/dbraw/zinc/96/66/83/947966683.db2.gz RJOZBMBXXXDHCJ-WDEREUQCSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)n1cncn1 ZINC001573654480 947966687 /nfs/dbraw/zinc/96/66/87/947966687.db2.gz RJOZBMBXXXDHCJ-WDEREUQCSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)n1cncn1 ZINC001573654652 947967962 /nfs/dbraw/zinc/96/79/62/947967962.db2.gz SDLBRQHHHZXJOE-ZYHUDNBSSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)n1cncn1 ZINC001573654652 947967974 /nfs/dbraw/zinc/96/79/74/947967974.db2.gz SDLBRQHHHZXJOE-ZYHUDNBSSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573395647 947970833 /nfs/dbraw/zinc/97/08/33/947970833.db2.gz ZOYOCPSBZIPNEV-CABZTGNLSA-N -1 1 392.489 0.759 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CO)Cc1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573654847 947973506 /nfs/dbraw/zinc/97/35/06/947973506.db2.gz UAUXVZTUDBTJBB-HWPZZCPQSA-N -1 1 390.835 0.783 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573397792 947975025 /nfs/dbraw/zinc/97/50/25/947975025.db2.gz DGPDCMMENGTWQU-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573397792 947975030 /nfs/dbraw/zinc/97/50/30/947975030.db2.gz DGPDCMMENGTWQU-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001573655390 947977062 /nfs/dbraw/zinc/97/70/62/947977062.db2.gz XDPRRTIMCGLVNU-GTNSWQLSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001573655390 947977068 /nfs/dbraw/zinc/97/70/68/947977068.db2.gz XDPRRTIMCGLVNU-GTNSWQLSSA-N -1 1 382.432 0.811 20 0 GCADMM Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000826339710 947977186 /nfs/dbraw/zinc/97/71/86/947977186.db2.gz PQLHYNXSSSGFNP-LBPRGKRZSA-N -1 1 395.376 0.459 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573398379 947980225 /nfs/dbraw/zinc/98/02/25/947980225.db2.gz KMLZVVVVUOTBGG-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573398379 947980232 /nfs/dbraw/zinc/98/02/32/947980232.db2.gz KMLZVVVVUOTBGG-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCN(C(C)C)C(=O)C2)c(-c2nn[n-]n2)c1C ZINC000826341514 947981113 /nfs/dbraw/zinc/98/11/13/947981113.db2.gz JNYSMWSJMJOLOK-LLVKDONJSA-N -1 1 375.433 0.956 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cncn1 ZINC001573655793 947982058 /nfs/dbraw/zinc/98/20/58/947982058.db2.gz YXMMAKUPHMDQMZ-CMPLNLGQSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cncn1 ZINC001573655793 947982069 /nfs/dbraw/zinc/98/20/69/947982069.db2.gz YXMMAKUPHMDQMZ-CMPLNLGQSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573398977 947987871 /nfs/dbraw/zinc/98/78/71/947987871.db2.gz RTZYWAHYAORGTB-LLVKDONJSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573398977 947987876 /nfs/dbraw/zinc/98/78/76/947987876.db2.gz RTZYWAHYAORGTB-LLVKDONJSA-N -1 1 375.437 0.078 20 0 GCADMM Cc1onc(CC(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826343212 947987993 /nfs/dbraw/zinc/98/79/93/947987993.db2.gz QWPBGRNDJKWYDC-UHFFFAOYSA-N -1 1 390.425 0.768 20 0 GCADMM Cc1onc(CC(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826343212 947987999 /nfs/dbraw/zinc/98/79/99/947987999.db2.gz QWPBGRNDJKWYDC-UHFFFAOYSA-N -1 1 390.425 0.768 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573656428 947989802 /nfs/dbraw/zinc/98/98/02/947989802.db2.gz GLVSCFMYMHPYKH-KZULUSFZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573656428 947989811 /nfs/dbraw/zinc/98/98/11/947989811.db2.gz GLVSCFMYMHPYKH-KZULUSFZSA-N -1 1 379.428 0.940 20 0 GCADMM Cc1onc(CC(=O)N(CCO)CCOCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826343477 947990263 /nfs/dbraw/zinc/99/02/63/947990263.db2.gz BYRHZCQOQCGUDB-UHFFFAOYSA-N -1 1 378.311 0.105 20 0 GCADMM Cc1onc(CC(=O)N(CCO)CCOCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826343477 947990271 /nfs/dbraw/zinc/99/02/71/947990271.db2.gz BYRHZCQOQCGUDB-UHFFFAOYSA-N -1 1 378.311 0.105 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573657354 947998468 /nfs/dbraw/zinc/99/84/68/947998468.db2.gz MJUWUAREIIRGDB-GTNSWQLSSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573657354 947998471 /nfs/dbraw/zinc/99/84/71/947998471.db2.gz MJUWUAREIIRGDB-GTNSWQLSSA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C(=O)NCC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826343969 947999207 /nfs/dbraw/zinc/99/92/07/947999207.db2.gz SQEPMEGIIODGQQ-UHFFFAOYSA-N -1 1 375.433 0.716 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C(=O)NCC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826343969 947999212 /nfs/dbraw/zinc/99/92/12/947999212.db2.gz SQEPMEGIIODGQQ-UHFFFAOYSA-N -1 1 375.433 0.716 20 0 GCADMM Cc1onc(CC(=O)N2CCC(OC[C@H]3CCCO3)CC2)c1-c1nnn[n-]1 ZINC000826344087 947999286 /nfs/dbraw/zinc/99/92/86/947999286.db2.gz WYOXDBSGJIFEGJ-CYBMUJFWSA-N -1 1 376.417 0.892 20 0 GCADMM Cc1onc(CC(=O)N2CCC(OC[C@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC000826344087 947999292 /nfs/dbraw/zinc/99/92/92/947999292.db2.gz WYOXDBSGJIFEGJ-CYBMUJFWSA-N -1 1 376.417 0.892 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001573401880 947999436 /nfs/dbraw/zinc/99/94/36/947999436.db2.gz DYXUFJOMODDDMB-NSHDSACASA-N -1 1 392.489 0.441 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573402763 948004755 /nfs/dbraw/zinc/00/47/55/948004755.db2.gz HVWNNMSAHRYEMT-NSHDSACASA-N -1 1 380.478 0.663 20 0 GCADMM Cc1onc(CC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c1-c1nnn[n-]1 ZINC000826344363 948007562 /nfs/dbraw/zinc/00/75/62/948007562.db2.gz FYEHDLNADUUWPO-UHFFFAOYSA-N -1 1 396.411 0.153 20 0 GCADMM Cc1onc(CC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c1-c1nn[n-]n1 ZINC000826344363 948007571 /nfs/dbraw/zinc/00/75/71/948007571.db2.gz FYEHDLNADUUWPO-UHFFFAOYSA-N -1 1 396.411 0.153 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c1-c1nnn[n-]1 ZINC000826344524 948009646 /nfs/dbraw/zinc/00/96/46/948009646.db2.gz KHZZPNKECILQMR-JTQLQIEISA-N -1 1 388.413 0.792 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c1-c1nn[n-]n1 ZINC000826344524 948009655 /nfs/dbraw/zinc/00/96/55/948009655.db2.gz KHZZPNKECILQMR-JTQLQIEISA-N -1 1 388.413 0.792 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573404189 948017491 /nfs/dbraw/zinc/01/74/91/948017491.db2.gz AALHWPXAHRBLBI-UHFFFAOYSA-N -1 1 392.489 0.951 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573404269 948019493 /nfs/dbraw/zinc/01/94/93/948019493.db2.gz BUBRAOIYMSDEJR-SSDOTTSWSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573404269 948019499 /nfs/dbraw/zinc/01/94/99/948019499.db2.gz BUBRAOIYMSDEJR-SSDOTTSWSA-N -1 1 386.869 0.762 20 0 GCADMM C[C@@H](C(=O)N[C@H](COC(N)=O)Cc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573660118 948020414 /nfs/dbraw/zinc/02/04/14/948020414.db2.gz ZABOJMKUQZKAIB-JQWIXIFHSA-N -1 1 385.388 0.256 20 0 GCADMM Cc1onc(CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826345841 948030177 /nfs/dbraw/zinc/03/01/77/948030177.db2.gz VSIOAFDZEFLRMK-CQSZACIVSA-N -1 1 383.412 0.521 20 0 GCADMM Cc1onc(CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826345841 948030182 /nfs/dbraw/zinc/03/01/82/948030182.db2.gz VSIOAFDZEFLRMK-CQSZACIVSA-N -1 1 383.412 0.521 20 0 GCADMM C[C@H](C(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573663324 948034567 /nfs/dbraw/zinc/03/45/67/948034567.db2.gz LKPODGHGPLUDLS-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573405104 948037836 /nfs/dbraw/zinc/03/78/36/948037836.db2.gz XWRXQTLZYQPMEH-QWHCGFSZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573405104 948037845 /nfs/dbraw/zinc/03/78/45/948037845.db2.gz XWRXQTLZYQPMEH-QWHCGFSZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573405227 948040779 /nfs/dbraw/zinc/04/07/79/948040779.db2.gz ZZWMIXIHYQWQCF-RYUDHWBXSA-N -1 1 392.489 0.807 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1-c1nnn[n-]1 ZINC000826346415 948040837 /nfs/dbraw/zinc/04/08/37/948040837.db2.gz LUKUBTPESNAQSM-UHFFFAOYSA-N -1 1 397.355 0.042 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1-c1nn[n-]n1 ZINC000826346415 948040846 /nfs/dbraw/zinc/04/08/46/948040846.db2.gz LUKUBTPESNAQSM-UHFFFAOYSA-N -1 1 397.355 0.042 20 0 GCADMM C[C@@H](C(=O)NC1(c2ccc3c(c2)OCCO3)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573663761 948041658 /nfs/dbraw/zinc/04/16/58/948041658.db2.gz PKIAQHQOWIDHKN-JTQLQIEISA-N -1 1 382.384 0.596 20 0 GCADMM C[C@H](C(=O)NC1(CO)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573664018 948046711 /nfs/dbraw/zinc/04/67/11/948046711.db2.gz QYQCICJDLNYIKF-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC1(CO)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573664018 948046718 /nfs/dbraw/zinc/04/67/18/948046718.db2.gz QYQCICJDLNYIKF-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826347194 948050655 /nfs/dbraw/zinc/05/06/55/948050655.db2.gz IAXDFSZXVIHLPO-MRXNPFEDSA-N -1 1 397.439 0.895 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826347194 948050663 /nfs/dbraw/zinc/05/06/63/948050663.db2.gz IAXDFSZXVIHLPO-MRXNPFEDSA-N -1 1 397.439 0.895 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573406358 948052103 /nfs/dbraw/zinc/05/21/03/948052103.db2.gz BHUGZCPJMDLOAI-QMMMGPOBSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573406358 948052109 /nfs/dbraw/zinc/05/21/09/948052109.db2.gz BHUGZCPJMDLOAI-QMMMGPOBSA-N -1 1 384.853 0.150 20 0 GCADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573664355 948053302 /nfs/dbraw/zinc/05/33/02/948053302.db2.gz UIFLGBCPDYKBJB-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573664355 948053310 /nfs/dbraw/zinc/05/33/10/948053310.db2.gz UIFLGBCPDYKBJB-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM Cc1onc(CC(=O)NCCS(=O)(=O)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826347704 948058168 /nfs/dbraw/zinc/05/81/68/948058168.db2.gz AUTDIZASBISNBU-UHFFFAOYSA-N -1 1 390.425 0.437 20 0 GCADMM Cc1onc(CC(=O)NCCS(=O)(=O)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347704 948058176 /nfs/dbraw/zinc/05/81/76/948058176.db2.gz AUTDIZASBISNBU-UHFFFAOYSA-N -1 1 390.425 0.437 20 0 GCADMM Cc1onc(CC(=O)NC[C@]2(N3CCOCC3)CCSC2)c1-c1nn[n-]n1 ZINC000826347655 948058200 /nfs/dbraw/zinc/05/82/00/948058200.db2.gz YWRGHHHDHXNRBZ-MRXNPFEDSA-N -1 1 393.473 0.030 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)c1-c1nnn[n-]1 ZINC000826347708 948058899 /nfs/dbraw/zinc/05/88/99/948058899.db2.gz BANJJONQSFKSQZ-LLVKDONJSA-N -1 1 398.427 0.642 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)c1-c1nn[n-]n1 ZINC000826347708 948058904 /nfs/dbraw/zinc/05/89/04/948058904.db2.gz BANJJONQSFKSQZ-LLVKDONJSA-N -1 1 398.427 0.642 20 0 GCADMM C[C@H](C(=O)N[C@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573664722 948060115 /nfs/dbraw/zinc/06/01/15/948060115.db2.gz XVQLLXOBUHSGMF-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573664722 948060124 /nfs/dbraw/zinc/06/01/24/948060124.db2.gz XVQLLXOBUHSGMF-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(Cn3cncn3)cc2)c1-c1nnn[n-]1 ZINC000826347984 948064299 /nfs/dbraw/zinc/06/42/99/948064299.db2.gz OPGHSABPUJFSLM-UHFFFAOYSA-N -1 1 379.384 0.662 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(Cn3cncn3)cc2)c1-c1nn[n-]n1 ZINC000826347984 948064307 /nfs/dbraw/zinc/06/43/07/948064307.db2.gz OPGHSABPUJFSLM-UHFFFAOYSA-N -1 1 379.384 0.662 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573665256 948070114 /nfs/dbraw/zinc/07/01/14/948070114.db2.gz JPSLSFVHVGPGSU-HIFPTAJRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573665256 948070124 /nfs/dbraw/zinc/07/01/24/948070124.db2.gz JPSLSFVHVGPGSU-HIFPTAJRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573665435 948071393 /nfs/dbraw/zinc/07/13/93/948071393.db2.gz KUQRKFRKBBVHMX-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573665435 948071401 /nfs/dbraw/zinc/07/14/01/948071401.db2.gz KUQRKFRKBBVHMX-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573665328 948072745 /nfs/dbraw/zinc/07/27/45/948072745.db2.gz KSBANJUUUMCBBI-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573665328 948072754 /nfs/dbraw/zinc/07/27/54/948072754.db2.gz KSBANJUUUMCBBI-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CS(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826348544 948075144 /nfs/dbraw/zinc/07/51/44/948075144.db2.gz RPTICDPDBQANSG-UHFFFAOYSA-N -1 1 376.398 0.889 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CS(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826348544 948075150 /nfs/dbraw/zinc/07/51/50/948075150.db2.gz RPTICDPDBQANSG-UHFFFAOYSA-N -1 1 376.398 0.889 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573665863 948079741 /nfs/dbraw/zinc/07/97/41/948079741.db2.gz NRMMQYDLVRIIMA-VOMCLLRMSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573665863 948079750 /nfs/dbraw/zinc/07/97/50/948079750.db2.gz NRMMQYDLVRIIMA-VOMCLLRMSA-N -1 1 383.420 0.349 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1-c1nnn[n-]1 ZINC000826348674 948081579 /nfs/dbraw/zinc/08/15/79/948081579.db2.gz YJOIIAZRPDNXGN-UHFFFAOYSA-N -1 1 393.367 0.629 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1-c1nn[n-]n1 ZINC000826348674 948081585 /nfs/dbraw/zinc/08/15/85/948081585.db2.gz YJOIIAZRPDNXGN-UHFFFAOYSA-N -1 1 393.367 0.629 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1-c1nnn[n-]1 ZINC000826348976 948084969 /nfs/dbraw/zinc/08/49/69/948084969.db2.gz OHOIRNNRMMAOQG-QGZVFWFLSA-N -1 1 396.367 0.399 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1-c1nn[n-]n1 ZINC000826348976 948084975 /nfs/dbraw/zinc/08/49/75/948084975.db2.gz OHOIRNNRMMAOQG-QGZVFWFLSA-N -1 1 396.367 0.399 20 0 GCADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826348969 948085534 /nfs/dbraw/zinc/08/55/34/948085534.db2.gz NYEZTEGBODYXPZ-UHFFFAOYSA-N -1 1 397.395 0.817 20 0 GCADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826348969 948085542 /nfs/dbraw/zinc/08/55/42/948085542.db2.gz NYEZTEGBODYXPZ-UHFFFAOYSA-N -1 1 397.395 0.817 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573666490 948086125 /nfs/dbraw/zinc/08/61/25/948086125.db2.gz UBGAYDDXESNKGU-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)Nc2ccccc2CN2C(=O)CCC2=O)c1-c1nnn[n-]1 ZINC000826348940 948086580 /nfs/dbraw/zinc/08/65/80/948086580.db2.gz MYBLKEDIGAEZCA-UHFFFAOYSA-N -1 1 395.379 0.993 20 0 GCADMM Cc1onc(CC(=O)Nc2ccccc2CN2C(=O)CCC2=O)c1-c1nn[n-]n1 ZINC000826348940 948086588 /nfs/dbraw/zinc/08/65/88/948086588.db2.gz MYBLKEDIGAEZCA-UHFFFAOYSA-N -1 1 395.379 0.993 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573666425 948087390 /nfs/dbraw/zinc/08/73/90/948087390.db2.gz SVWGAEIVHHSAPE-PNESKVBLSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573666425 948087400 /nfs/dbraw/zinc/08/74/00/948087400.db2.gz SVWGAEIVHHSAPE-PNESKVBLSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573666486 948087887 /nfs/dbraw/zinc/08/78/87/948087887.db2.gz UBGAYDDXESNKGU-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(CS(N)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826349081 948088258 /nfs/dbraw/zinc/08/82/58/948088258.db2.gz SMAMZKZOPTWMKL-UHFFFAOYSA-N -1 1 377.386 0.133 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(CS(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826349081 948088262 /nfs/dbraw/zinc/08/82/62/948088262.db2.gz SMAMZKZOPTWMKL-UHFFFAOYSA-N -1 1 377.386 0.133 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573667073 948093846 /nfs/dbraw/zinc/09/38/46/948093846.db2.gz XOUFJPGHTNAWMC-PNESKVBLSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573667073 948093856 /nfs/dbraw/zinc/09/38/56/948093856.db2.gz XOUFJPGHTNAWMC-PNESKVBLSA-N -1 1 382.432 0.954 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)CC(C)C)C1 ZINC001573417753 948113750 /nfs/dbraw/zinc/11/37/50/948113750.db2.gz BBAZVYLGVCVNPB-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)CC(C)C)C1 ZINC001573417753 948113756 /nfs/dbraw/zinc/11/37/56/948113756.db2.gz BBAZVYLGVCVNPB-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573417808 948114479 /nfs/dbraw/zinc/11/44/79/948114479.db2.gz BWJGLFICHVGTNS-VHSXEESVSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573417808 948114484 /nfs/dbraw/zinc/11/44/84/948114484.db2.gz BWJGLFICHVGTNS-VHSXEESVSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573418275 948115453 /nfs/dbraw/zinc/11/54/53/948115453.db2.gz FUKLVWGYMFQOKU-HTQZYQBOSA-N -1 1 378.462 0.415 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573418528 948117239 /nfs/dbraw/zinc/11/72/39/948117239.db2.gz GOHODSQVSBQIJN-MRVPVSSYSA-N -1 1 378.462 0.274 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573418971 948119539 /nfs/dbraw/zinc/11/95/39/948119539.db2.gz IHQWSWDXXSQXJG-ZCFIWIBFSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573418971 948119542 /nfs/dbraw/zinc/11/95/42/948119542.db2.gz IHQWSWDXXSQXJG-ZCFIWIBFSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573419763 948127666 /nfs/dbraw/zinc/12/76/66/948127666.db2.gz RJOCKBQSXGXMOL-MRVPVSSYSA-N -1 1 378.462 0.051 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001573678392 948148606 /nfs/dbraw/zinc/14/86/06/948148606.db2.gz DHJZHDBEJFIRPL-AAEUAGOBSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001573678392 948148610 /nfs/dbraw/zinc/14/86/10/948148610.db2.gz DHJZHDBEJFIRPL-AAEUAGOBSA-N -1 1 384.448 0.747 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573426459 948155999 /nfs/dbraw/zinc/15/59/99/948155999.db2.gz MBFXZXKJJCEYQU-XYPYZODXSA-N -1 1 376.446 0.169 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573427266 948163215 /nfs/dbraw/zinc/16/32/15/948163215.db2.gz WNOFBTJNTLXKMM-ZCFIWIBFSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573427266 948163221 /nfs/dbraw/zinc/16/32/21/948163221.db2.gz WNOFBTJNTLXKMM-ZCFIWIBFSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573429009 948170234 /nfs/dbraw/zinc/17/02/34/948170234.db2.gz GECVKLOWWGDXOC-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573429009 948170239 /nfs/dbraw/zinc/17/02/39/948170239.db2.gz GECVKLOWWGDXOC-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573429405 948171937 /nfs/dbraw/zinc/17/19/37/948171937.db2.gz IJHXIDBTLKRKBN-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573429405 948171944 /nfs/dbraw/zinc/17/19/44/948171944.db2.gz IJHXIDBTLKRKBN-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573429723 948172431 /nfs/dbraw/zinc/17/24/31/948172431.db2.gz LLCPDEIMUYYALO-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573429723 948172435 /nfs/dbraw/zinc/17/24/35/948172435.db2.gz LLCPDEIMUYYALO-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573429724 948172885 /nfs/dbraw/zinc/17/28/85/948172885.db2.gz LLCPDEIMUYYALO-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573429724 948172892 /nfs/dbraw/zinc/17/28/92/948172892.db2.gz LLCPDEIMUYYALO-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573430117 948175941 /nfs/dbraw/zinc/17/59/41/948175941.db2.gz ODGIQYVXWXADTC-SECBINFHSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573430524 948176338 /nfs/dbraw/zinc/17/63/38/948176338.db2.gz PRBCBOTZHMUHNL-SECBINFHSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573430127 948176537 /nfs/dbraw/zinc/17/65/37/948176537.db2.gz OOAYTUWAFUTRPJ-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573430127 948176543 /nfs/dbraw/zinc/17/65/43/948176543.db2.gz OOAYTUWAFUTRPJ-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573432492 948189001 /nfs/dbraw/zinc/18/90/01/948189001.db2.gz GNSVLZVICSPLAI-DIFFPNOSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573432492 948189009 /nfs/dbraw/zinc/18/90/09/948189009.db2.gz GNSVLZVICSPLAI-DIFFPNOSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573432495 948189095 /nfs/dbraw/zinc/18/90/95/948189095.db2.gz GNSVLZVICSPLAI-GTNSWQLSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573432495 948189106 /nfs/dbraw/zinc/18/91/06/948189106.db2.gz GNSVLZVICSPLAI-GTNSWQLSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573432580 948189899 /nfs/dbraw/zinc/18/98/99/948189899.db2.gz HACYYRTZDLUEMO-KRWDZBQOSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573432580 948189907 /nfs/dbraw/zinc/18/99/07/948189907.db2.gz HACYYRTZDLUEMO-KRWDZBQOSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573432871 948193031 /nfs/dbraw/zinc/19/30/31/948193031.db2.gz HTRAESWEGNDEGQ-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573432871 948193035 /nfs/dbraw/zinc/19/30/35/948193035.db2.gz HTRAESWEGNDEGQ-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573681289 948199031 /nfs/dbraw/zinc/19/90/31/948199031.db2.gz UMDMIRBSKMTCRQ-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573681289 948199039 /nfs/dbraw/zinc/19/90/39/948199039.db2.gz UMDMIRBSKMTCRQ-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573681268 948199966 /nfs/dbraw/zinc/19/99/66/948199966.db2.gz UDCGUILFCFQBRH-WCQYABFASA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573681268 948199969 /nfs/dbraw/zinc/19/99/69/948199969.db2.gz UDCGUILFCFQBRH-WCQYABFASA-N -1 1 384.448 0.747 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434558 948216279 /nfs/dbraw/zinc/21/62/79/948216279.db2.gz QJAOXMCMZLRDDU-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434558 948216289 /nfs/dbraw/zinc/21/62/89/948216289.db2.gz QJAOXMCMZLRDDU-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434662 948217891 /nfs/dbraw/zinc/21/78/91/948217891.db2.gz SEEMARVXJLIYRO-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434662 948217895 /nfs/dbraw/zinc/21/78/95/948217895.db2.gz SEEMARVXJLIYRO-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573434990 948223284 /nfs/dbraw/zinc/22/32/84/948223284.db2.gz UMTBASHJEMSQHT-MRXNPFEDSA-N -1 1 392.489 0.760 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573435257 948225857 /nfs/dbraw/zinc/22/58/57/948225857.db2.gz UZKXDNFOGCZOJU-PIGZYNQJSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573435257 948225866 /nfs/dbraw/zinc/22/58/66/948225866.db2.gz UZKXDNFOGCZOJU-PIGZYNQJSA-N -1 1 387.448 0.140 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1cnn(C)c1 ZINC001573691214 948238995 /nfs/dbraw/zinc/23/89/95/948238995.db2.gz DYKVRQFQHUYZTK-NSHDSACASA-N -1 1 382.432 0.067 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573439259 948243763 /nfs/dbraw/zinc/24/37/63/948243763.db2.gz KGKOJVKLIJJDCS-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573439259 948243770 /nfs/dbraw/zinc/24/37/70/948243770.db2.gz KGKOJVKLIJJDCS-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573439712 948250390 /nfs/dbraw/zinc/25/03/90/948250390.db2.gz QBHCLVIDXRNRFD-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573439712 948250398 /nfs/dbraw/zinc/25/03/98/948250398.db2.gz QBHCLVIDXRNRFD-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573691885 948250806 /nfs/dbraw/zinc/25/08/06/948250806.db2.gz JNJGNVFJEHXEGX-STQMWFEESA-N -1 1 386.460 0.735 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573439854 948254247 /nfs/dbraw/zinc/25/42/47/948254247.db2.gz USMILBDZPOGCGR-CYBMUJFWSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573439854 948254252 /nfs/dbraw/zinc/25/42/52/948254252.db2.gz USMILBDZPOGCGR-CYBMUJFWSA-N -1 1 387.448 0.094 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573692061 948255037 /nfs/dbraw/zinc/25/50/37/948255037.db2.gz MHIYJIXLIOENGI-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573692061 948255047 /nfs/dbraw/zinc/25/50/47/948255047.db2.gz MHIYJIXLIOENGI-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692581 948267795 /nfs/dbraw/zinc/26/77/95/948267795.db2.gz QUUDXTMMYGJPCD-GHMZBOCLSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692581 948267802 /nfs/dbraw/zinc/26/78/02/948267802.db2.gz QUUDXTMMYGJPCD-GHMZBOCLSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692660 948268768 /nfs/dbraw/zinc/26/87/68/948268768.db2.gz RNQKHWCGCKNBDG-WDEREUQCSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692660 948268771 /nfs/dbraw/zinc/26/87/71/948268771.db2.gz RNQKHWCGCKNBDG-WDEREUQCSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000826425183 948275051 /nfs/dbraw/zinc/27/50/51/948275051.db2.gz SNLUPXJJPZFHBD-JTQLQIEISA-N -1 1 382.306 0.327 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000826425088 948275500 /nfs/dbraw/zinc/27/55/00/948275500.db2.gz PJZRUIPSBHPFNV-UHFFFAOYSA-N -1 1 396.337 0.537 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573692956 948275811 /nfs/dbraw/zinc/27/58/11/948275811.db2.gz RCTFJUUUCJMLBW-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573692956 948275820 /nfs/dbraw/zinc/27/58/20/948275820.db2.gz RCTFJUUUCJMLBW-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573441768 948277417 /nfs/dbraw/zinc/27/74/17/948277417.db2.gz AWRGETCAAOFSBR-AAEUAGOBSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573441768 948277428 /nfs/dbraw/zinc/27/74/28/948277428.db2.gz AWRGETCAAOFSBR-AAEUAGOBSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573441966 948281937 /nfs/dbraw/zinc/28/19/37/948281937.db2.gz DIQUVQAPJSRJIB-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573441966 948281948 /nfs/dbraw/zinc/28/19/48/948281948.db2.gz DIQUVQAPJSRJIB-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573693568 948283028 /nfs/dbraw/zinc/28/30/28/948283028.db2.gz AEIBMJRIABCJCV-BJOHPYRUSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573442256 948289602 /nfs/dbraw/zinc/28/96/02/948289602.db2.gz GDJQGDMIMFRTLX-LBPRGKRZSA-N -1 1 389.485 0.487 20 0 GCADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccco1 ZINC001573694764 948297666 /nfs/dbraw/zinc/29/76/66/948297666.db2.gz DOWLBYJRWZQRLA-LLVKDONJSA-N -1 1 388.453 0.988 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573443894 948309638 /nfs/dbraw/zinc/30/96/38/948309638.db2.gz QHELLRFKZOZUDS-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573443894 948309649 /nfs/dbraw/zinc/30/96/49/948309649.db2.gz QHELLRFKZOZUDS-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccco1 ZINC001573695811 948311762 /nfs/dbraw/zinc/31/17/62/948311762.db2.gz IWDWEYHBOYCWMV-ZDEQEGDKSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccco1 ZINC001573695811 948311770 /nfs/dbraw/zinc/31/17/70/948311770.db2.gz IWDWEYHBOYCWMV-ZDEQEGDKSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573696180 948318557 /nfs/dbraw/zinc/31/85/57/948318557.db2.gz LUWOPONWKPKRHM-BJOHPYRUSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573696180 948318571 /nfs/dbraw/zinc/31/85/71/948318571.db2.gz LUWOPONWKPKRHM-BJOHPYRUSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573696486 948326305 /nfs/dbraw/zinc/32/63/05/948326305.db2.gz RDSVRSCVUIPDHO-RFAUZJTJSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573696486 948326314 /nfs/dbraw/zinc/32/63/14/948326314.db2.gz RDSVRSCVUIPDHO-RFAUZJTJSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573446236 948327042 /nfs/dbraw/zinc/32/70/42/948327042.db2.gz BDBWDRUAAWRUTE-NWDGAFQWSA-N -1 1 390.473 0.337 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573696484 948327272 /nfs/dbraw/zinc/32/72/72/948327272.db2.gz RDSVRSCVUIPDHO-BJOHPYRUSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573696484 948327281 /nfs/dbraw/zinc/32/72/81/948327281.db2.gz RDSVRSCVUIPDHO-BJOHPYRUSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573446237 948327512 /nfs/dbraw/zinc/32/75/12/948327512.db2.gz BDBWDRUAAWRUTE-VXGBXAGGSA-N -1 1 390.473 0.337 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573446444 948328499 /nfs/dbraw/zinc/32/84/99/948328499.db2.gz GOFPDRRMQWAYNO-UONOGXRCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573446444 948328507 /nfs/dbraw/zinc/32/85/07/948328507.db2.gz GOFPDRRMQWAYNO-UONOGXRCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cccnc1 ZINC001573696645 948330378 /nfs/dbraw/zinc/33/03/78/948330378.db2.gz UIIVGXRNYVEOLL-CYUUQNCZSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cccnc1 ZINC001573696645 948330385 /nfs/dbraw/zinc/33/03/85/948330385.db2.gz UIIVGXRNYVEOLL-CYUUQNCZSA-N -1 1 391.439 0.654 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573446709 948335212 /nfs/dbraw/zinc/33/52/12/948335212.db2.gz NOTNERMOKODTKS-GFCCVEGCSA-N -1 1 392.489 0.537 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573696832 948337117 /nfs/dbraw/zinc/33/71/17/948337117.db2.gz XPWFGQAGXQCQGT-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573702602 948347023 /nfs/dbraw/zinc/34/70/23/948347023.db2.gz FVEGBIFJGITIJN-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573702602 948347031 /nfs/dbraw/zinc/34/70/31/948347031.db2.gz FVEGBIFJGITIJN-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573704164 948366669 /nfs/dbraw/zinc/36/66/69/948366669.db2.gz PXOJKRUZGKETAS-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573704164 948366672 /nfs/dbraw/zinc/36/66/72/948366672.db2.gz PXOJKRUZGKETAS-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573704603 948378735 /nfs/dbraw/zinc/37/87/35/948378735.db2.gz TVRJAJIPSOFIGD-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573704603 948378742 /nfs/dbraw/zinc/37/87/42/948378742.db2.gz TVRJAJIPSOFIGD-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573704718 948380395 /nfs/dbraw/zinc/38/03/95/948380395.db2.gz CYOMDVLPXDYSAB-QWHCGFSZSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573704718 948380407 /nfs/dbraw/zinc/38/04/07/948380407.db2.gz CYOMDVLPXDYSAB-QWHCGFSZSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573704735 948380956 /nfs/dbraw/zinc/38/09/56/948380956.db2.gz DGURIPXZRSWHPT-NEPJUHHUSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573704735 948380966 /nfs/dbraw/zinc/38/09/66/948380966.db2.gz DGURIPXZRSWHPT-NEPJUHHUSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CCCC1 ZINC001573705352 948398405 /nfs/dbraw/zinc/39/84/05/948398405.db2.gz DWUPTNUDKWVPQJ-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CCCC1 ZINC001573705352 948398417 /nfs/dbraw/zinc/39/84/17/948398417.db2.gz DWUPTNUDKWVPQJ-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487901 948401360 /nfs/dbraw/zinc/40/13/60/948401360.db2.gz CXEOFHNYVXAAAL-QMMMGPOBSA-N -1 1 394.354 0.921 20 0 GCADMM O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487901 948401365 /nfs/dbraw/zinc/40/13/65/948401365.db2.gz CXEOFHNYVXAAAL-QMMMGPOBSA-N -1 1 394.354 0.921 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573705618 948403996 /nfs/dbraw/zinc/40/39/96/948403996.db2.gz GMVSICADDNXWJC-GFCCVEGCSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573705618 948404002 /nfs/dbraw/zinc/40/40/02/948404002.db2.gz GMVSICADDNXWJC-GFCCVEGCSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573705548 948404748 /nfs/dbraw/zinc/40/47/48/948404748.db2.gz FZSGVMZRNSIKGL-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CCC1 ZINC001573705915 948409535 /nfs/dbraw/zinc/40/95/35/948409535.db2.gz HJBYUGZONVPTCC-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CCC1 ZINC001573705915 948409542 /nfs/dbraw/zinc/40/95/42/948409542.db2.gz HJBYUGZONVPTCC-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)n1cccc1 ZINC001573705945 948409641 /nfs/dbraw/zinc/40/96/41/948409641.db2.gz HSHNBVLHGCFIRC-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)n1cccc1 ZINC001573705945 948409644 /nfs/dbraw/zinc/40/96/44/948409644.db2.gz HSHNBVLHGCFIRC-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCCC1 ZINC001573706397 948418382 /nfs/dbraw/zinc/41/83/82/948418382.db2.gz IYHHAGLSSCAQTF-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573706424 948419338 /nfs/dbraw/zinc/41/93/38/948419338.db2.gz JARLLTKQUNYOFM-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573706424 948419342 /nfs/dbraw/zinc/41/93/42/948419342.db2.gz JARLLTKQUNYOFM-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(C)(F)F ZINC001573706662 948422874 /nfs/dbraw/zinc/42/28/74/948422874.db2.gz KJWKALYNYDLJFN-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(C)(F)F ZINC001573706662 948422878 /nfs/dbraw/zinc/42/28/78/948422878.db2.gz KJWKALYNYDLJFN-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(F)(F)F ZINC001573706623 948423341 /nfs/dbraw/zinc/42/33/41/948423341.db2.gz JRURCFVQZMYZQO-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(F)(F)F ZINC001573706623 948423346 /nfs/dbraw/zinc/42/33/46/948423346.db2.gz JRURCFVQZMYZQO-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573706744 948424086 /nfs/dbraw/zinc/42/40/86/948424086.db2.gz LUNYSBRXTBOLDG-OLZOCXBDSA-N -1 1 379.428 0.798 20 0 GCADMM CC(C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)=C1CCC1 ZINC001573706903 948426783 /nfs/dbraw/zinc/42/67/83/948426783.db2.gz LNYDXDCKYRYTCV-AWEZNQCLSA-N -1 1 384.444 0.869 20 0 GCADMM CC(C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)=C1CCC1 ZINC001573706903 948426788 /nfs/dbraw/zinc/42/67/88/948426788.db2.gz LNYDXDCKYRYTCV-AWEZNQCLSA-N -1 1 384.444 0.869 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573707112 948428450 /nfs/dbraw/zinc/42/84/50/948428450.db2.gz MNPPEUTXIXXGCZ-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573707112 948428457 /nfs/dbraw/zinc/42/84/57/948428457.db2.gz MNPPEUTXIXXGCZ-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)n1cccc1 ZINC001573707491 948433701 /nfs/dbraw/zinc/43/37/01/948433701.db2.gz NVCISGZLGFXZQP-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)n1cccc1 ZINC001573707491 948433707 /nfs/dbraw/zinc/43/37/07/948433707.db2.gz NVCISGZLGFXZQP-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C1CCC1 ZINC001573707879 948439931 /nfs/dbraw/zinc/43/99/31/948439931.db2.gz QGJWKKGHHLMMFL-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C1CCC1 ZINC001573707879 948439933 /nfs/dbraw/zinc/43/99/33/948439933.db2.gz QGJWKKGHHLMMFL-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1ccco1 ZINC001573707830 948440156 /nfs/dbraw/zinc/44/01/56/948440156.db2.gz QCFNJKOKMRUHPY-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1ccco1 ZINC001573707830 948440162 /nfs/dbraw/zinc/44/01/62/948440162.db2.gz QCFNJKOKMRUHPY-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCCC1 ZINC001573707973 948440976 /nfs/dbraw/zinc/44/09/76/948440976.db2.gz QMAMCPRHFSCVTO-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCCC1 ZINC001573707973 948440983 /nfs/dbraw/zinc/44/09/83/948440983.db2.gz QMAMCPRHFSCVTO-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)=C1CCCC1 ZINC001573708073 948442976 /nfs/dbraw/zinc/44/29/76/948442976.db2.gz QZOKQWXJGSBMNH-AWEZNQCLSA-N -1 1 384.444 0.869 20 0 GCADMM CC(C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)=C1CCCC1 ZINC001573708073 948442980 /nfs/dbraw/zinc/44/29/80/948442980.db2.gz QZOKQWXJGSBMNH-AWEZNQCLSA-N -1 1 384.444 0.869 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573708150 948444712 /nfs/dbraw/zinc/44/47/12/948444712.db2.gz RZMVBYCBLLUCKJ-LBPRGKRZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573708150 948444719 /nfs/dbraw/zinc/44/47/19/948444719.db2.gz RZMVBYCBLLUCKJ-LBPRGKRZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573708272 948446423 /nfs/dbraw/zinc/44/64/23/948446423.db2.gz SNYZEIPKUSNSOG-STQMWFEESA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573713939 948467723 /nfs/dbraw/zinc/46/77/23/948467723.db2.gz CJNQXIOMDCYPOM-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573713939 948467726 /nfs/dbraw/zinc/46/77/26/948467726.db2.gz CJNQXIOMDCYPOM-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCCOCCN(C)c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573715910 948495666 /nfs/dbraw/zinc/49/56/66/948495666.db2.gz ARXLWDVWEJGIGM-CHWSQXEVSA-N -1 1 390.448 0.041 20 0 GCADMM C[C@@H](C(=O)NCCOCCN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573716177 948496737 /nfs/dbraw/zinc/49/67/37/948496737.db2.gz CPQIYVNQLDZBRH-ZDUSSCGKSA-N -1 1 385.432 0.288 20 0 GCADMM C[C@@H](C(=O)NCCOCCN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573716177 948496739 /nfs/dbraw/zinc/49/67/39/948496739.db2.gz CPQIYVNQLDZBRH-ZDUSSCGKSA-N -1 1 385.432 0.288 20 0 GCADMM C[C@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1F ZINC001573716497 948498605 /nfs/dbraw/zinc/49/86/05/948498605.db2.gz GWCZMOPFZPHDDR-QMMMGPOBSA-N -1 1 391.338 0.327 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)n1cccn1 ZINC001573717036 948505179 /nfs/dbraw/zinc/50/51/79/948505179.db2.gz AVXOETPBQKMRKF-MRVPVSSYSA-N -1 1 381.853 0.987 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)n1cccn1 ZINC001573717036 948505184 /nfs/dbraw/zinc/50/51/84/948505184.db2.gz AVXOETPBQKMRKF-MRVPVSSYSA-N -1 1 381.853 0.987 20 0 GCADMM C[C@@H](C(=O)NCCOCCN(C)c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573717772 948509579 /nfs/dbraw/zinc/50/95/79/948509579.db2.gz NFYBWAIQNGLZFA-JTQLQIEISA-N -1 1 384.391 0.517 20 0 GCADMM C[C@@H](C(=O)NCCOCCN(C)c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573717772 948509585 /nfs/dbraw/zinc/50/95/85/948509585.db2.gz NFYBWAIQNGLZFA-JTQLQIEISA-N -1 1 384.391 0.517 20 0 GCADMM C[C@@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1c(F)cccc1F ZINC001573718846 948521915 /nfs/dbraw/zinc/52/19/15/948521915.db2.gz UPNDWTCLVRWRPV-MRVPVSSYSA-N -1 1 391.338 0.327 20 0 GCADMM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cnn(C)c1 ZINC001573719179 948523426 /nfs/dbraw/zinc/52/34/26/948523426.db2.gz KRIRPRAEOWLZBV-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cnn(C)c1 ZINC001573719179 948523431 /nfs/dbraw/zinc/52/34/31/948523431.db2.gz KRIRPRAEOWLZBV-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573719257 948525020 /nfs/dbraw/zinc/52/50/20/948525020.db2.gz MITWHHTZNRRXIN-VIFPVBQESA-N -1 1 387.370 0.092 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573729581 948568926 /nfs/dbraw/zinc/56/89/26/948568926.db2.gz VCBUWMLMPLALLF-LPEHRKFASA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573730359 948581502 /nfs/dbraw/zinc/58/15/02/948581502.db2.gz PASBZOCXOHXKGM-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573730359 948581509 /nfs/dbraw/zinc/58/15/09/948581509.db2.gz PASBZOCXOHXKGM-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573731156 948586839 /nfs/dbraw/zinc/58/68/39/948586839.db2.gz DXFBYDGKWBMRIZ-IUCAKERBSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573731156 948586844 /nfs/dbraw/zinc/58/68/44/948586844.db2.gz DXFBYDGKWBMRIZ-IUCAKERBSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573732390 948601704 /nfs/dbraw/zinc/60/17/04/948601704.db2.gz OBXTVWXJFROJCU-IUCAKERBSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573732390 948601711 /nfs/dbraw/zinc/60/17/11/948601711.db2.gz OBXTVWXJFROJCU-IUCAKERBSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H](C)n1cncn1 ZINC001573732582 948604583 /nfs/dbraw/zinc/60/45/83/948604583.db2.gz RYNBALVPHKJANG-BQBZGAKWSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H](C)n1cncn1 ZINC001573732582 948604593 /nfs/dbraw/zinc/60/45/93/948604593.db2.gz RYNBALVPHKJANG-BQBZGAKWSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573736054 948611176 /nfs/dbraw/zinc/61/11/76/948611176.db2.gz DJAFNNXTJMNKRC-YNEHKIRRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573736054 948611180 /nfs/dbraw/zinc/61/11/80/948611180.db2.gz DJAFNNXTJMNKRC-YNEHKIRRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573736463 948615992 /nfs/dbraw/zinc/61/59/92/948615992.db2.gz VYMVHJGJZFLTSV-QJPTWQEYSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573736463 948615995 /nfs/dbraw/zinc/61/59/95/948615995.db2.gz VYMVHJGJZFLTSV-QJPTWQEYSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C)S(C)(=O)=O ZINC001573739839 948623853 /nfs/dbraw/zinc/62/38/53/948623853.db2.gz BZAPZUDYPORRRO-CKYFFXLPSA-N -1 1 398.514 0.298 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccnc1 ZINC001573741193 948652315 /nfs/dbraw/zinc/65/23/15/948652315.db2.gz YUMIIYYDDFCEBQ-MBNYWOFBSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccnc1 ZINC001573741193 948652319 /nfs/dbraw/zinc/65/23/19/948652319.db2.gz YUMIIYYDDFCEBQ-MBNYWOFBSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H](C)n1cncn1 ZINC001573742919 948664485 /nfs/dbraw/zinc/66/44/85/948664485.db2.gz TZKGRTXCAMKGDY-RNFRBKRXSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H](C)n1cncn1 ZINC001573742919 948664489 /nfs/dbraw/zinc/66/44/89/948664489.db2.gz TZKGRTXCAMKGDY-RNFRBKRXSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1cnn(C)c1 ZINC001573745116 948668968 /nfs/dbraw/zinc/66/89/68/948668968.db2.gz AZEHMMCTNVTXMF-LOWVWBTDSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1cnn(C)c1 ZINC001573745116 948668971 /nfs/dbraw/zinc/66/89/71/948668971.db2.gz AZEHMMCTNVTXMF-LOWVWBTDSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573746112 948679371 /nfs/dbraw/zinc/67/93/71/948679371.db2.gz JPSLSFVHVGPGSU-AVGNSLFASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573746112 948679378 /nfs/dbraw/zinc/67/93/78/948679378.db2.gz JPSLSFVHVGPGSU-AVGNSLFASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573747842 948692654 /nfs/dbraw/zinc/69/26/54/948692654.db2.gz XOUFJPGHTNAWMC-AVGNSLFASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573747842 948692661 /nfs/dbraw/zinc/69/26/61/948692661.db2.gz XOUFJPGHTNAWMC-AVGNSLFASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c(F)cncc1F ZINC001574678321 948747117 /nfs/dbraw/zinc/74/71/17/948747117.db2.gz CUSLIZQINVUQBD-QMMMGPOBSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c(F)cncc1F ZINC001574678321 948747123 /nfs/dbraw/zinc/74/71/23/948747123.db2.gz CUSLIZQINVUQBD-QMMMGPOBSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncc2n1CCCC2 ZINC001574678852 948758926 /nfs/dbraw/zinc/75/89/26/948758926.db2.gz KEAYGHLHCNZFIM-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncc2n1CCCC2 ZINC001574678852 948758941 /nfs/dbraw/zinc/75/89/41/948758941.db2.gz KEAYGHLHCNZFIM-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncc2n1CCCC2 ZINC001574678853 948760375 /nfs/dbraw/zinc/76/03/75/948760375.db2.gz KEAYGHLHCNZFIM-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncc2n1CCCC2 ZINC001574678853 948760388 /nfs/dbraw/zinc/76/03/88/948760388.db2.gz KEAYGHLHCNZFIM-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM CC(F)(F)C1(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223239 948760518 /nfs/dbraw/zinc/76/05/18/948760518.db2.gz LWVZDZNXRMKQNE-UHFFFAOYSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C(F)F)n(C)n1 ZINC001574679029 948761957 /nfs/dbraw/zinc/76/19/57/948761957.db2.gz MGEMSNXOVCWNQW-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C(F)F)n(C)n1 ZINC001574679029 948761965 /nfs/dbraw/zinc/76/19/65/948761965.db2.gz MGEMSNXOVCWNQW-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cncnc1C1CC1 ZINC001574679000 948763303 /nfs/dbraw/zinc/76/33/03/948763303.db2.gz LPZJDVUWRUGXJN-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cncnc1C1CC1 ZINC001574679000 948763317 /nfs/dbraw/zinc/76/33/17/948763317.db2.gz LPZJDVUWRUGXJN-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574679008 948763457 /nfs/dbraw/zinc/76/34/57/948763457.db2.gz LUFMZGKWVAFCHO-GHMZBOCLSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574679008 948763468 /nfs/dbraw/zinc/76/34/68/948763468.db2.gz LUFMZGKWVAFCHO-GHMZBOCLSA-N -1 1 382.432 0.492 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001575223533 948766673 /nfs/dbraw/zinc/76/66/73/948766673.db2.gz CNIOBWUCCFZNLD-MNOVXSKESA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001575223533 948766691 /nfs/dbraw/zinc/76/66/91/948766691.db2.gz CNIOBWUCCFZNLD-MNOVXSKESA-N -1 1 378.387 0.987 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574418459 948775735 /nfs/dbraw/zinc/77/57/35/948775735.db2.gz WBXSUBYXPNHGIY-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574418459 948775750 /nfs/dbraw/zinc/77/57/50/948775750.db2.gz WBXSUBYXPNHGIY-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001574079708 948775673 /nfs/dbraw/zinc/77/56/73/948775673.db2.gz FPBRLWYHGGBQBW-GJMOJQLCSA-N -1 1 389.844 0.636 20 0 GCADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001574079708 948775691 /nfs/dbraw/zinc/77/56/91/948775691.db2.gz FPBRLWYHGGBQBW-GJMOJQLCSA-N -1 1 389.844 0.636 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574679422 948781008 /nfs/dbraw/zinc/78/10/08/948781008.db2.gz VAUBAJHVXDLGFV-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574679422 948781015 /nfs/dbraw/zinc/78/10/15/948781015.db2.gz VAUBAJHVXDLGFV-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574419349 948783180 /nfs/dbraw/zinc/78/31/80/948783180.db2.gz CHVDIAGGDLLTNB-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574419349 948783187 /nfs/dbraw/zinc/78/31/87/948783187.db2.gz CHVDIAGGDLLTNB-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574679536 948785240 /nfs/dbraw/zinc/78/52/40/948785240.db2.gz XJTSONUXVMOKLO-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574679536 948785254 /nfs/dbraw/zinc/78/52/54/948785254.db2.gz XJTSONUXVMOKLO-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574679625 948788854 /nfs/dbraw/zinc/78/88/54/948788854.db2.gz ZBSYQXGCHHKSDF-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574679625 948788866 /nfs/dbraw/zinc/78/88/66/948788866.db2.gz ZBSYQXGCHHKSDF-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn2c1CCCC2 ZINC001574679618 948790135 /nfs/dbraw/zinc/79/01/35/948790135.db2.gz YVVPGTGMROQOET-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn2c1CCCC2 ZINC001574679618 948790143 /nfs/dbraw/zinc/79/01/43/948790143.db2.gz YVVPGTGMROQOET-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575224768 948790690 /nfs/dbraw/zinc/79/06/90/948790690.db2.gz QYRPLTUXFYQLGC-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575224768 948790702 /nfs/dbraw/zinc/79/07/02/948790702.db2.gz QYRPLTUXFYQLGC-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574679654 948791642 /nfs/dbraw/zinc/79/16/42/948791642.db2.gz ZVKNHBFXUIPZMQ-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574679654 948791661 /nfs/dbraw/zinc/79/16/61/948791661.db2.gz ZVKNHBFXUIPZMQ-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)CC1 ZINC001575224771 948792980 /nfs/dbraw/zinc/79/29/80/948792980.db2.gz YRQCFKRHPJWACZ-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)CC1 ZINC001575224771 948792994 /nfs/dbraw/zinc/79/29/94/948792994.db2.gz YRQCFKRHPJWACZ-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)C(C)(C)C ZINC001574679909 948797083 /nfs/dbraw/zinc/79/70/83/948797083.db2.gz BIIAUOIPZXOSQQ-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)C(C)(C)C ZINC001574679909 948797100 /nfs/dbraw/zinc/79/71/00/948797100.db2.gz BIIAUOIPZXOSQQ-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001574080752 948800634 /nfs/dbraw/zinc/80/06/34/948800634.db2.gz NAJCEDMIJJYVLR-NEPJUHHUSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001574080752 948800651 /nfs/dbraw/zinc/80/06/51/948800651.db2.gz NAJCEDMIJJYVLR-NEPJUHHUSA-N -1 1 378.412 0.362 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001574680537 948807648 /nfs/dbraw/zinc/80/76/48/948807648.db2.gz ICDZWUPZBJAHMT-APPDUMDISA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001574680537 948807667 /nfs/dbraw/zinc/80/76/67/948807667.db2.gz ICDZWUPZBJAHMT-APPDUMDISA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn2c1CCCC2 ZINC001574680876 948807987 /nfs/dbraw/zinc/80/79/87/948807987.db2.gz JJTLKIAYGUGERH-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn2c1CCCC2 ZINC001574680876 948808007 /nfs/dbraw/zinc/80/80/07/948808007.db2.gz JJTLKIAYGUGERH-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001574680542 948808043 /nfs/dbraw/zinc/80/80/43/948808043.db2.gz ICDZWUPZBJAHMT-PIGZYNQJSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001574680542 948808059 /nfs/dbraw/zinc/80/80/59/948808059.db2.gz ICDZWUPZBJAHMT-PIGZYNQJSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001574680867 948808640 /nfs/dbraw/zinc/80/86/40/948808640.db2.gz JHNDZEIEWGBGGZ-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001574680867 948808652 /nfs/dbraw/zinc/80/86/52/948808652.db2.gz JHNDZEIEWGBGGZ-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCC(=O)N(C)C ZINC001574680865 948810409 /nfs/dbraw/zinc/81/04/09/948810409.db2.gz JHEOLORQWBVGGC-LLVKDONJSA-N -1 1 375.437 0.222 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCC(=O)N(C)C ZINC001574680865 948810428 /nfs/dbraw/zinc/81/04/28/948810428.db2.gz JHEOLORQWBVGGC-LLVKDONJSA-N -1 1 375.437 0.222 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1noc2c1COCC2 ZINC001574681385 948819096 /nfs/dbraw/zinc/81/90/96/948819096.db2.gz MLLFZVCTQUQJNI-VIFPVBQESA-N -1 1 385.388 0.338 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1noc2c1COCC2 ZINC001574681385 948819104 /nfs/dbraw/zinc/81/91/04/948819104.db2.gz MLLFZVCTQUQJNI-VIFPVBQESA-N -1 1 385.388 0.338 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574681729 948822800 /nfs/dbraw/zinc/82/28/00/948822800.db2.gz NIFLHWUDHYGURQ-DGCLKSJQSA-N -1 1 379.428 0.773 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574681729 948822805 /nfs/dbraw/zinc/82/28/05/948822805.db2.gz NIFLHWUDHYGURQ-DGCLKSJQSA-N -1 1 379.428 0.773 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574682236 948829832 /nfs/dbraw/zinc/82/98/32/948829832.db2.gz QNIONQLTLVYFOW-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574682236 948829845 /nfs/dbraw/zinc/82/98/45/948829845.db2.gz QNIONQLTLVYFOW-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574682234 948829876 /nfs/dbraw/zinc/82/98/76/948829876.db2.gz QNIONQLTLVYFOW-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574682234 948829906 /nfs/dbraw/zinc/82/99/06/948829906.db2.gz QNIONQLTLVYFOW-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc2n1CCOC2 ZINC001574682838 948831165 /nfs/dbraw/zinc/83/11/65/948831165.db2.gz RTCRBFODHNYOPO-JTQLQIEISA-N -1 1 384.404 0.004 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc2n1CCOC2 ZINC001574682838 948831188 /nfs/dbraw/zinc/83/11/88/948831188.db2.gz RTCRBFODHNYOPO-JTQLQIEISA-N -1 1 384.404 0.004 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc2n1CCOC2 ZINC001574682841 948833240 /nfs/dbraw/zinc/83/32/40/948833240.db2.gz RTCRBFODHNYOPO-SNVBAGLBSA-N -1 1 384.404 0.004 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc2n1CCOC2 ZINC001574682841 948833258 /nfs/dbraw/zinc/83/32/58/948833258.db2.gz RTCRBFODHNYOPO-SNVBAGLBSA-N -1 1 384.404 0.004 20 0 GCADMM CC(C)(C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)[C@@H]1CCCCO1 ZINC001573761101 948834190 /nfs/dbraw/zinc/83/41/90/948834190.db2.gz BIIWGMPJQGOGNZ-LBPRGKRZSA-N -1 1 389.416 0.108 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001575229176 948837919 /nfs/dbraw/zinc/83/79/19/948837919.db2.gz DHXFYBJHFWUGBG-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574683239 948846332 /nfs/dbraw/zinc/84/63/32/948846332.db2.gz WIXGWFVTYMYJDM-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574683239 948846347 /nfs/dbraw/zinc/84/63/47/948846347.db2.gz WIXGWFVTYMYJDM-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574424732 948856088 /nfs/dbraw/zinc/85/60/88/948856088.db2.gz SVUOSLDYEXLRPP-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574424732 948856108 /nfs/dbraw/zinc/85/61/08/948856108.db2.gz SVUOSLDYEXLRPP-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H](C)NC(N)=O ZINC001574684044 948856471 /nfs/dbraw/zinc/85/64/71/948856471.db2.gz AMIICGRDTIOVDU-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM CC(C)(C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573762724 948861580 /nfs/dbraw/zinc/86/15/80/948861580.db2.gz ZPGZFUIHKKKASZ-UHFFFAOYSA-N -1 1 388.476 0.528 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cn(C)nn1 ZINC001574684408 948869429 /nfs/dbraw/zinc/86/94/29/948869429.db2.gz FSDKPFSNLNMOKL-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cn(C)nn1 ZINC001574684408 948869451 /nfs/dbraw/zinc/86/94/51/948869451.db2.gz FSDKPFSNLNMOKL-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM CC(C)(C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573763368 948870302 /nfs/dbraw/zinc/87/03/02/948870302.db2.gz DPFUFJULLJWANJ-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573763368 948870315 /nfs/dbraw/zinc/87/03/15/948870315.db2.gz DPFUFJULLJWANJ-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1COCCO1 ZINC001574684642 948877162 /nfs/dbraw/zinc/87/71/62/948877162.db2.gz JPYFHVDNJMZBNJ-HTQZYQBOSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1COCCO1 ZINC001574684642 948877175 /nfs/dbraw/zinc/87/71/75/948877175.db2.gz JPYFHVDNJMZBNJ-HTQZYQBOSA-N -1 1 387.853 0.699 20 0 GCADMM CC(C)(C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573763972 948881013 /nfs/dbraw/zinc/88/10/13/948881013.db2.gz JPKAHSOCGPAZLH-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573763972 948881032 /nfs/dbraw/zinc/88/10/32/948881032.db2.gz JPKAHSOCGPAZLH-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001574427203 948899156 /nfs/dbraw/zinc/89/91/56/948899156.db2.gz BPLUIWHNDZXHBV-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001574427203 948899174 /nfs/dbraw/zinc/89/91/74/948899174.db2.gz BPLUIWHNDZXHBV-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575234708 948902161 /nfs/dbraw/zinc/90/21/61/948902161.db2.gz RDHFUHDIPNPZHD-YFKPBYRVSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575234708 948902177 /nfs/dbraw/zinc/90/21/77/948902177.db2.gz RDHFUHDIPNPZHD-YFKPBYRVSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001575234731 948906304 /nfs/dbraw/zinc/90/63/04/948906304.db2.gz CWQWGOKSGGYNFZ-PHIMTYICSA-N -1 1 378.387 0.987 20 0 GCADMM CC(C)(C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCOCC1 ZINC001573765463 948909151 /nfs/dbraw/zinc/90/91/51/948909151.db2.gz IAHSUJBTUAIWOP-UHFFFAOYSA-N -1 1 386.460 0.758 20 0 GCADMM CC(C)(C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCOCC1 ZINC001573765463 948909166 /nfs/dbraw/zinc/90/91/66/948909166.db2.gz IAHSUJBTUAIWOP-UHFFFAOYSA-N -1 1 386.460 0.758 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574920901 948914749 /nfs/dbraw/zinc/91/47/49/948914749.db2.gz QNYAQJNCYLIHPH-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574920901 948914763 /nfs/dbraw/zinc/91/47/63/948914763.db2.gz QNYAQJNCYLIHPH-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088278 948917163 /nfs/dbraw/zinc/91/71/63/948917163.db2.gz AHPIHTHAYGIVDQ-STQMWFEESA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088278 948917173 /nfs/dbraw/zinc/91/71/73/948917173.db2.gz AHPIHTHAYGIVDQ-STQMWFEESA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001574427944 948918187 /nfs/dbraw/zinc/91/81/87/948918187.db2.gz VBQRAYMKBBYOOY-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001574427944 948918204 /nfs/dbraw/zinc/91/82/04/948918204.db2.gz VBQRAYMKBBYOOY-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573765795 948923088 /nfs/dbraw/zinc/92/30/88/948923088.db2.gz HIQWKMRXRXNEPA-KBPBESRZSA-N -1 1 391.439 0.819 20 0 GCADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573765795 948923094 /nfs/dbraw/zinc/92/30/94/948923094.db2.gz HIQWKMRXRXNEPA-KBPBESRZSA-N -1 1 391.439 0.819 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574431768 948925939 /nfs/dbraw/zinc/92/59/39/948925939.db2.gz BGVAKYGADDRXBL-UHFFFAOYSA-N -1 1 380.416 0.945 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574431768 948925958 /nfs/dbraw/zinc/92/59/58/948925958.db2.gz BGVAKYGADDRXBL-UHFFFAOYSA-N -1 1 380.416 0.945 20 0 GCADMM CC(C)(C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(F)F ZINC001573765969 948929483 /nfs/dbraw/zinc/92/94/83/948929483.db2.gz RREYFWQUOGGEDU-AOOOYVTPSA-N -1 1 378.387 0.843 20 0 GCADMM CC(C)(C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(F)F ZINC001573765969 948929492 /nfs/dbraw/zinc/92/94/92/948929492.db2.gz RREYFWQUOGGEDU-AOOOYVTPSA-N -1 1 378.387 0.843 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001575236993 948940836 /nfs/dbraw/zinc/94/08/36/948940836.db2.gz CHNHFQRGKOHNAX-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575237398 948944443 /nfs/dbraw/zinc/94/44/43/948944443.db2.gz FTWDDOWEDVMMGL-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575237398 948944453 /nfs/dbraw/zinc/94/44/53/948944453.db2.gz FTWDDOWEDVMMGL-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433111 948946105 /nfs/dbraw/zinc/94/61/05/948946105.db2.gz HMDJRESXQVJEHH-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433111 948946117 /nfs/dbraw/zinc/94/61/17/948946117.db2.gz HMDJRESXQVJEHH-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574433187 948949105 /nfs/dbraw/zinc/94/91/05/948949105.db2.gz KODYKZAZGSVUPE-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574433187 948949119 /nfs/dbraw/zinc/94/91/19/948949119.db2.gz KODYKZAZGSVUPE-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574923554 948953382 /nfs/dbraw/zinc/95/33/82/948953382.db2.gz PKDVWJPWWGBZGL-JTQLQIEISA-N -1 1 390.839 0.538 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574923554 948953390 /nfs/dbraw/zinc/95/33/90/948953390.db2.gz PKDVWJPWWGBZGL-JTQLQIEISA-N -1 1 390.839 0.538 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001575238377 948954237 /nfs/dbraw/zinc/95/42/37/948954237.db2.gz LQIBOIKGUBUWFH-ZJUUUORDSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001575238377 948954247 /nfs/dbraw/zinc/95/42/47/948954247.db2.gz LQIBOIKGUBUWFH-ZJUUUORDSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCCO1 ZINC001573772410 948958226 /nfs/dbraw/zinc/95/82/26/948958226.db2.gz BIUBBFNTXLBSHP-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCCO1 ZINC001573772410 948958235 /nfs/dbraw/zinc/95/82/35/948958235.db2.gz BIUBBFNTXLBSHP-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575239125 948962234 /nfs/dbraw/zinc/96/22/34/948962234.db2.gz QVFASFAXVSTCOZ-RTCCRHLQSA-N -1 1 378.387 0.891 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575239125 948962241 /nfs/dbraw/zinc/96/22/41/948962241.db2.gz QVFASFAXVSTCOZ-RTCCRHLQSA-N -1 1 378.387 0.891 20 0 GCADMM CC(C)(C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1c[nH]cn1 ZINC001573772761 948966212 /nfs/dbraw/zinc/96/62/12/948966212.db2.gz DOUPROGRYZLYKF-UHFFFAOYSA-N -1 1 382.432 0.443 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575240088 948968037 /nfs/dbraw/zinc/96/80/37/948968037.db2.gz YXZLPUOPTRQLEL-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575240088 948968049 /nfs/dbraw/zinc/96/80/49/948968049.db2.gz YXZLPUOPTRQLEL-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)(C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573772829 948968390 /nfs/dbraw/zinc/96/83/90/948968390.db2.gz WVEOCDMEQSXUMC-LLVKDONJSA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C(F)F ZINC001573773145 948975900 /nfs/dbraw/zinc/97/59/00/948975900.db2.gz IABGZEXOWRBTGK-SCZZXKLOSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)F ZINC001573773145 948975915 /nfs/dbraw/zinc/97/59/15/948975915.db2.gz IABGZEXOWRBTGK-SCZZXKLOSA-N -1 1 382.375 0.004 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001574689113 948976145 /nfs/dbraw/zinc/97/61/45/948976145.db2.gz CTYOKZXYMPZVEK-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001574689113 948976162 /nfs/dbraw/zinc/97/61/62/948976162.db2.gz CTYOKZXYMPZVEK-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001574689114 948976286 /nfs/dbraw/zinc/97/62/86/948976286.db2.gz CTYOKZXYMPZVEK-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001574689114 948976294 /nfs/dbraw/zinc/97/62/94/948976294.db2.gz CTYOKZXYMPZVEK-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574925732 948977384 /nfs/dbraw/zinc/97/73/84/948977384.db2.gz CSCHVKUEFKBIHR-GFCCVEGCSA-N -1 1 387.448 0.000 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574925732 948977393 /nfs/dbraw/zinc/97/73/93/948977393.db2.gz CSCHVKUEFKBIHR-GFCCVEGCSA-N -1 1 387.448 0.000 20 0 GCADMM CC(C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574434370 948981508 /nfs/dbraw/zinc/98/15/08/948981508.db2.gz IMAPDHLUHLNWIP-NSHDSACASA-N -1 1 385.432 0.890 20 0 GCADMM CC(C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574434370 948981513 /nfs/dbraw/zinc/98/15/13/948981513.db2.gz IMAPDHLUHLNWIP-NSHDSACASA-N -1 1 385.432 0.890 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573773568 948985611 /nfs/dbraw/zinc/98/56/11/948985611.db2.gz MAGYZFOCQZRUGF-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574090500 948985872 /nfs/dbraw/zinc/98/58/72/948985872.db2.gz KRFFXSKNWZSDPY-KGLIPLIRSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574090500 948985879 /nfs/dbraw/zinc/98/58/79/948985879.db2.gz KRFFXSKNWZSDPY-KGLIPLIRSA-N -1 1 385.476 0.187 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574926483 949000910 /nfs/dbraw/zinc/00/09/10/949000910.db2.gz RXUNEZNZALUCKZ-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574926483 949000923 /nfs/dbraw/zinc/00/09/23/949000923.db2.gz RXUNEZNZALUCKZ-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574690386 949002896 /nfs/dbraw/zinc/00/28/96/949002896.db2.gz OPQXQXAHVSVFJT-GFCCVEGCSA-N -1 1 389.464 0.074 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574690386 949002907 /nfs/dbraw/zinc/00/29/07/949002907.db2.gz OPQXQXAHVSVFJT-GFCCVEGCSA-N -1 1 389.464 0.074 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574690366 949003243 /nfs/dbraw/zinc/00/32/43/949003243.db2.gz OKNHGSWOTKYZKN-NWDGAFQWSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574690366 949003260 /nfs/dbraw/zinc/00/32/60/949003260.db2.gz OKNHGSWOTKYZKN-NWDGAFQWSA-N -1 1 384.448 0.891 20 0 GCADMM CC(C)c1nnsc1C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574439506 949006696 /nfs/dbraw/zinc/00/66/96/949006696.db2.gz GACHCWONPFPVCC-UHFFFAOYSA-N -1 1 388.461 0.888 20 0 GCADMM CC(C)c1nnsc1C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574439506 949006714 /nfs/dbraw/zinc/00/67/14/949006714.db2.gz GACHCWONPFPVCC-UHFFFAOYSA-N -1 1 388.461 0.888 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575501310 949006843 /nfs/dbraw/zinc/00/68/43/949006843.db2.gz FYCBEGZHJQIQPP-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575501310 949006865 /nfs/dbraw/zinc/00/68/65/949006865.db2.gz FYCBEGZHJQIQPP-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM CC(C)(C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573774365 949007342 /nfs/dbraw/zinc/00/73/42/949007342.db2.gz NFCAOGVQMVJMRT-LLVKDONJSA-N -1 1 382.432 0.086 20 0 GCADMM CC(C)(C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573774367 949007393 /nfs/dbraw/zinc/00/73/93/949007393.db2.gz NFCAOGVQMVJMRT-NSHDSACASA-N -1 1 382.432 0.086 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574439272 949007803 /nfs/dbraw/zinc/00/78/03/949007803.db2.gz DXFSELKUTZNGJI-UHFFFAOYSA-N -1 1 386.445 0.594 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574439272 949007813 /nfs/dbraw/zinc/00/78/13/949007813.db2.gz DXFSELKUTZNGJI-UHFFFAOYSA-N -1 1 386.445 0.594 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573774316 949008508 /nfs/dbraw/zinc/00/85/08/949008508.db2.gz MLRXFGYJXHKGBN-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573774316 949008523 /nfs/dbraw/zinc/00/85/23/949008523.db2.gz MLRXFGYJXHKGBN-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574691059 949012891 /nfs/dbraw/zinc/01/28/91/949012891.db2.gz SRAAHDMHVCEHHR-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574691059 949012909 /nfs/dbraw/zinc/01/29/09/949012909.db2.gz SRAAHDMHVCEHHR-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCOCC1 ZINC001573774508 949014289 /nfs/dbraw/zinc/01/42/89/949014289.db2.gz TUMVDSDDQLYWBD-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001573774508 949014302 /nfs/dbraw/zinc/01/43/02/949014302.db2.gz TUMVDSDDQLYWBD-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574440105 949021036 /nfs/dbraw/zinc/02/10/36/949021036.db2.gz NPGIJPQSAPFLGR-UHFFFAOYSA-N -1 1 386.445 0.594 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575502279 949021060 /nfs/dbraw/zinc/02/10/60/949021060.db2.gz JVVIOLNWWGMGOS-NWDGAFQWSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575502279 949021081 /nfs/dbraw/zinc/02/10/81/949021081.db2.gz JVVIOLNWWGMGOS-NWDGAFQWSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575502293 949021754 /nfs/dbraw/zinc/02/17/54/949021754.db2.gz JXQGPDNLYJCMLX-VXGBXAGGSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575502272 949023007 /nfs/dbraw/zinc/02/30/07/949023007.db2.gz JUPSVSPLCAOZIS-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575502272 949023025 /nfs/dbraw/zinc/02/30/25/949023025.db2.gz JUPSVSPLCAOZIS-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573774690 949023778 /nfs/dbraw/zinc/02/37/78/949023778.db2.gz QEHXBKYXQWXVMX-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573774690 949023802 /nfs/dbraw/zinc/02/38/02/949023802.db2.gz QEHXBKYXQWXVMX-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575502917 949035088 /nfs/dbraw/zinc/03/50/88/949035088.db2.gz LQMVFRQXPXWTFK-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575502917 949035108 /nfs/dbraw/zinc/03/51/08/949035108.db2.gz LQMVFRQXPXWTFK-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575246513 949036367 /nfs/dbraw/zinc/03/63/67/949036367.db2.gz GVVPZLVUFZACNY-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575246513 949036346 /nfs/dbraw/zinc/03/63/46/949036346.db2.gz GVVPZLVUFZACNY-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575246583 949040967 /nfs/dbraw/zinc/04/09/67/949040967.db2.gz HBPJIZIWRBWNDJ-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575246583 949040951 /nfs/dbraw/zinc/04/09/51/949040951.db2.gz HBPJIZIWRBWNDJ-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573775478 949044561 /nfs/dbraw/zinc/04/45/61/949044561.db2.gz XJSWWEQVILAUJD-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573775478 949044581 /nfs/dbraw/zinc/04/45/81/949044581.db2.gz XJSWWEQVILAUJD-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247523 949045592 /nfs/dbraw/zinc/04/55/92/949045592.db2.gz JIWVHVXFBVPAOW-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247523 949045612 /nfs/dbraw/zinc/04/56/12/949045612.db2.gz JIWVHVXFBVPAOW-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575247120 949046093 /nfs/dbraw/zinc/04/60/93/949046093.db2.gz IJDMSDHJYCIEPE-MNOVXSKESA-N -1 1 389.464 0.148 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575247120 949046113 /nfs/dbraw/zinc/04/61/13/949046113.db2.gz IJDMSDHJYCIEPE-MNOVXSKESA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCC(=O)N(C)C ZINC001574693169 949052582 /nfs/dbraw/zinc/05/25/82/949052582.db2.gz BHNNPAKRMGFGRE-NSHDSACASA-N -1 1 375.437 0.222 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCC(=O)N(C)C ZINC001574693169 949052599 /nfs/dbraw/zinc/05/25/99/949052599.db2.gz BHNNPAKRMGFGRE-NSHDSACASA-N -1 1 375.437 0.222 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575247870 949052975 /nfs/dbraw/zinc/05/29/75/949052975.db2.gz LALNYEGTNHSDNR-SNVBAGLBSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575247870 949052994 /nfs/dbraw/zinc/05/29/94/949052994.db2.gz LALNYEGTNHSDNR-SNVBAGLBSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575504070 949056811 /nfs/dbraw/zinc/05/68/11/949056811.db2.gz ROZORROJGBGMRG-LLVKDONJSA-N -1 1 381.400 0.002 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574092236 949057432 /nfs/dbraw/zinc/05/74/32/949057432.db2.gz RJHIBQIDZMLMEZ-CHWSQXEVSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574092318 949058576 /nfs/dbraw/zinc/05/85/76/949058576.db2.gz NUBPZQJPHOCWFG-KGLIPLIRSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575248400 949067949 /nfs/dbraw/zinc/06/79/49/949067949.db2.gz RKEFURBEELICKS-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575248400 949067968 /nfs/dbraw/zinc/06/79/68/949067968.db2.gz RKEFURBEELICKS-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575504426 949069500 /nfs/dbraw/zinc/06/95/00/949069500.db2.gz UFZOIZDCFQXUGI-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575504426 949069521 /nfs/dbraw/zinc/06/95/21/949069521.db2.gz UFZOIZDCFQXUGI-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575504448 949072146 /nfs/dbraw/zinc/07/21/46/949072146.db2.gz UUTIYCNVUUXQHJ-NEPJUHHUSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575504448 949072163 /nfs/dbraw/zinc/07/21/63/949072163.db2.gz UUTIYCNVUUXQHJ-NEPJUHHUSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575504454 949075092 /nfs/dbraw/zinc/07/50/92/949075092.db2.gz UXKSNUGKMQOIGR-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575504454 949075108 /nfs/dbraw/zinc/07/51/08/949075108.db2.gz UXKSNUGKMQOIGR-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574092817 949077053 /nfs/dbraw/zinc/07/70/53/949077053.db2.gz SVVPGKRUDZCLQB-STQMWFEESA-N -1 1 376.486 0.883 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574694513 949078254 /nfs/dbraw/zinc/07/82/54/949078254.db2.gz QLJPCIRYZQLNCO-RQJHMYQMSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574694513 949078275 /nfs/dbraw/zinc/07/82/75/949078275.db2.gz QLJPCIRYZQLNCO-RQJHMYQMSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575504731 949084352 /nfs/dbraw/zinc/08/43/52/949084352.db2.gz WXHURRCQWGBMRA-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575504731 949084375 /nfs/dbraw/zinc/08/43/75/949084375.db2.gz WXHURRCQWGBMRA-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249252 949094579 /nfs/dbraw/zinc/09/45/79/949094579.db2.gz YLCSXCYJPOQGPK-NEPJUHHUSA-N -1 1 386.460 0.993 20 0 GCADMM C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249252 949094599 /nfs/dbraw/zinc/09/45/99/949094599.db2.gz YLCSXCYJPOQGPK-NEPJUHHUSA-N -1 1 386.460 0.993 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575504954 949098642 /nfs/dbraw/zinc/09/86/42/949098642.db2.gz ZVQLNZISYWGGSW-NWDGAFQWSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575504954 949098663 /nfs/dbraw/zinc/09/86/63/949098663.db2.gz ZVQLNZISYWGGSW-NWDGAFQWSA-N -1 1 381.400 0.214 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CCC1 ZINC001573781012 949099011 /nfs/dbraw/zinc/09/90/11/949099011.db2.gz AFOCLZUAHHLLEY-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CCC1 ZINC001573781012 949099031 /nfs/dbraw/zinc/09/90/31/949099031.db2.gz AFOCLZUAHHLLEY-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CC1 ZINC001573781463 949102450 /nfs/dbraw/zinc/10/24/50/949102450.db2.gz HJMXUFGLZHSMNC-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CC1 ZINC001573781463 949102460 /nfs/dbraw/zinc/10/24/60/949102460.db2.gz HJMXUFGLZHSMNC-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CC1 ZINC001573781465 949105332 /nfs/dbraw/zinc/10/53/32/949105332.db2.gz HJMXUFGLZHSMNC-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CC1 ZINC001573781465 949105346 /nfs/dbraw/zinc/10/53/46/949105346.db2.gz HJMXUFGLZHSMNC-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574930736 949111127 /nfs/dbraw/zinc/11/11/27/949111127.db2.gz MFAIYLPWQHQWCV-RYUDHWBXSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574930736 949111113 /nfs/dbraw/zinc/11/11/13/949111113.db2.gz MFAIYLPWQHQWCV-RYUDHWBXSA-N -1 1 376.421 0.017 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001574446028 949116133 /nfs/dbraw/zinc/11/61/33/949116133.db2.gz FZIQRHUQROGBPS-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001574446028 949116154 /nfs/dbraw/zinc/11/61/54/949116154.db2.gz FZIQRHUQROGBPS-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574695600 949116480 /nfs/dbraw/zinc/11/64/80/949116480.db2.gz ISPAOYPCIKYYNK-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574695600 949116492 /nfs/dbraw/zinc/11/64/92/949116492.db2.gz ISPAOYPCIKYYNK-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573782376 949120148 /nfs/dbraw/zinc/12/01/48/949120148.db2.gz TXFWYMAOCRVTRQ-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573782376 949120164 /nfs/dbraw/zinc/12/01/64/949120164.db2.gz TXFWYMAOCRVTRQ-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573782322 949120638 /nfs/dbraw/zinc/12/06/38/949120638.db2.gz RGDBLJZVNZOOTQ-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573782322 949120650 /nfs/dbraw/zinc/12/06/50/949120650.db2.gz RGDBLJZVNZOOTQ-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C(N)=O ZINC001575510131 949121499 /nfs/dbraw/zinc/12/14/99/949121499.db2.gz GJFCMNLHBZNCGJ-SKDRFNHKSA-N -1 1 392.466 0.864 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446171 949121779 /nfs/dbraw/zinc/12/17/79/949121779.db2.gz IZCDPUNUHLIJNL-WDEREUQCSA-N -1 1 383.416 0.763 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574446265 949125772 /nfs/dbraw/zinc/12/57/72/949125772.db2.gz MEAWHKLIVSRODS-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574446265 949125791 /nfs/dbraw/zinc/12/57/91/949125791.db2.gz MEAWHKLIVSRODS-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CCC1 ZINC001573782715 949128887 /nfs/dbraw/zinc/12/88/87/949128887.db2.gz VXLJIHHZPLVLEI-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573782715 949128917 /nfs/dbraw/zinc/12/89/17/949128917.db2.gz VXLJIHHZPLVLEI-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COC[C@H]1CCCO1 ZINC001574696789 949141204 /nfs/dbraw/zinc/14/12/04/949141204.db2.gz UKTKXPWZPXTNEA-VXGBXAGGSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COC[C@H]1CCCO1 ZINC001574696789 949141216 /nfs/dbraw/zinc/14/12/16/949141216.db2.gz UKTKXPWZPXTNEA-VXGBXAGGSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574697166 949149982 /nfs/dbraw/zinc/14/99/82/949149982.db2.gz ZITGVSYUQIMJFU-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574697166 949150000 /nfs/dbraw/zinc/15/00/00/949150000.db2.gz ZITGVSYUQIMJFU-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934331 949153485 /nfs/dbraw/zinc/15/34/85/949153485.db2.gz FFIRWVJSZHWZKJ-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934331 949153495 /nfs/dbraw/zinc/15/34/95/949153495.db2.gz FFIRWVJSZHWZKJ-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC001574095861 949157572 /nfs/dbraw/zinc/15/75/72/949157572.db2.gz ZOQCOSGIZICJJX-HIFRSBDPSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC001574095861 949157586 /nfs/dbraw/zinc/15/75/86/949157586.db2.gz ZOQCOSGIZICJJX-HIFRSBDPSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574934395 949160029 /nfs/dbraw/zinc/16/00/29/949160029.db2.gz HDHLYNDESJKZJF-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574934395 949160047 /nfs/dbraw/zinc/16/00/47/949160047.db2.gz HDHLYNDESJKZJF-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574697957 949167446 /nfs/dbraw/zinc/16/74/46/949167446.db2.gz DNKLDWNSCATNAM-GXTWGEPZSA-N -1 1 384.419 0.918 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574934662 949171337 /nfs/dbraw/zinc/17/13/37/949171337.db2.gz NJRAPMSNSGLJCA-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574934662 949171351 /nfs/dbraw/zinc/17/13/51/949171351.db2.gz NJRAPMSNSGLJCA-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)C1CCOCC1 ZINC001573787612 949182572 /nfs/dbraw/zinc/18/25/72/949182572.db2.gz ZGTRCBIJNZDQML-UHFFFAOYSA-N -1 1 390.448 0.818 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)C1CCOCC1 ZINC001573787612 949182588 /nfs/dbraw/zinc/18/25/88/949182588.db2.gz ZGTRCBIJNZDQML-UHFFFAOYSA-N -1 1 390.448 0.818 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574448402 949187549 /nfs/dbraw/zinc/18/75/49/949187549.db2.gz KONQLYONWFJRJK-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574448402 949187564 /nfs/dbraw/zinc/18/75/64/949187564.db2.gz KONQLYONWFJRJK-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698515 949196383 /nfs/dbraw/zinc/19/63/83/949196383.db2.gz MGGACKHOSUFWOX-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698515 949196404 /nfs/dbraw/zinc/19/64/04/949196404.db2.gz MGGACKHOSUFWOX-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574102719 949205752 /nfs/dbraw/zinc/20/57/52/949205752.db2.gz ABDSKQHDHSPTKI-ACJLOTCBSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574102719 949205771 /nfs/dbraw/zinc/20/57/71/949205771.db2.gz ABDSKQHDHSPTKI-ACJLOTCBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575254485 949206006 /nfs/dbraw/zinc/20/60/06/949206006.db2.gz WIWXIHIIBWNUIU-NEPJUHHUSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575254485 949206022 /nfs/dbraw/zinc/20/60/22/949206022.db2.gz WIWXIHIIBWNUIU-NEPJUHHUSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935701 949206856 /nfs/dbraw/zinc/20/68/56/949206856.db2.gz FRRXNNBAANTUNY-JTQLQIEISA-N -1 1 383.416 0.706 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001575853288 949207978 /nfs/dbraw/zinc/20/79/78/949207978.db2.gz OPQPGHCIYDZUIP-NSHDSACASA-N -1 1 386.416 0.403 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001575853288 949208001 /nfs/dbraw/zinc/20/80/01/949208001.db2.gz OPQPGHCIYDZUIP-NSHDSACASA-N -1 1 386.416 0.403 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698878 949214576 /nfs/dbraw/zinc/21/45/76/949214576.db2.gz PSGGKGWMJAOYOW-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698878 949214597 /nfs/dbraw/zinc/21/45/97/949214597.db2.gz PSGGKGWMJAOYOW-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573788812 949217308 /nfs/dbraw/zinc/21/73/08/949217308.db2.gz YPACITJNXSZZQW-QWRGUYRKSA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573788812 949217330 /nfs/dbraw/zinc/21/73/30/949217330.db2.gz YPACITJNXSZZQW-QWRGUYRKSA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)c1oncc1C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574451207 949219816 /nfs/dbraw/zinc/21/98/16/949219816.db2.gz HHAQSCYKNMEEAD-UHFFFAOYSA-N -1 1 383.416 0.811 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)CC2OCCCO2)CC1 ZINC001575853977 949223577 /nfs/dbraw/zinc/22/35/77/949223577.db2.gz PPMALHYAZKAFLI-UHFFFAOYSA-N -1 1 388.432 0.025 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001575854667 949237397 /nfs/dbraw/zinc/23/73/97/949237397.db2.gz ZNGFAPSPGWASIO-ZDUSSCGKSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574699440 949241419 /nfs/dbraw/zinc/24/14/19/949241419.db2.gz UWIKSSQJDUYREX-RQJHMYQMSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574699440 949241440 /nfs/dbraw/zinc/24/14/40/949241440.db2.gz UWIKSSQJDUYREX-RQJHMYQMSA-N -1 1 386.869 0.747 20 0 GCADMM CC(C)(C)C(=O)N1CCC2(CC1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001573792316 949241766 /nfs/dbraw/zinc/24/17/66/949241766.db2.gz NTUPOZYJDRQJPD-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)C(=O)N1CCC2(CC1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001573792316 949241783 /nfs/dbraw/zinc/24/17/83/949241783.db2.gz NTUPOZYJDRQJPD-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574451779 949243929 /nfs/dbraw/zinc/24/39/29/949243929.db2.gz YKGRARXLGHZGNZ-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574451779 949243950 /nfs/dbraw/zinc/24/39/50/949243950.db2.gz YKGRARXLGHZGNZ-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574451987 949252198 /nfs/dbraw/zinc/25/21/98/949252198.db2.gz DCOIMRXCMSSGNH-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574940169 949253724 /nfs/dbraw/zinc/25/37/24/949253724.db2.gz AKIAONBIZNORJG-NSHDSACASA-N -1 1 380.412 0.751 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574940169 949253746 /nfs/dbraw/zinc/25/37/46/949253746.db2.gz AKIAONBIZNORJG-NSHDSACASA-N -1 1 380.412 0.751 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2n[nH]cc2c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574940225 949255468 /nfs/dbraw/zinc/25/54/68/949255468.db2.gz BWILHOSLTBTYEK-NSHDSACASA-N -1 1 392.427 0.717 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574452454 949257703 /nfs/dbraw/zinc/25/77/03/949257703.db2.gz JQCWRUJAWIBSLK-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574452454 949257726 /nfs/dbraw/zinc/25/77/26/949257726.db2.gz JQCWRUJAWIBSLK-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574452529 949261282 /nfs/dbraw/zinc/26/12/82/949261282.db2.gz MJVFNHDATUDZFB-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574452529 949261302 /nfs/dbraw/zinc/26/13/02/949261302.db2.gz MJVFNHDATUDZFB-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574452513 949262023 /nfs/dbraw/zinc/26/20/23/949262023.db2.gz LQYCNYCIJMLBFC-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574452513 949262045 /nfs/dbraw/zinc/26/20/45/949262045.db2.gz LQYCNYCIJMLBFC-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574452458 949263783 /nfs/dbraw/zinc/26/37/83/949263783.db2.gz JUKLASUCYZDEON-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574452458 949263802 /nfs/dbraw/zinc/26/38/02/949263802.db2.gz JUKLASUCYZDEON-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)cn1 ZINC001574452845 949268814 /nfs/dbraw/zinc/26/88/14/949268814.db2.gz NYMKGNHYNYFUMC-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)cn1 ZINC001574452845 949268837 /nfs/dbraw/zinc/26/88/37/949268837.db2.gz NYMKGNHYNYFUMC-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001574452949 949274696 /nfs/dbraw/zinc/27/46/96/949274696.db2.gz SHGQCAZVNQEJLV-UHFFFAOYSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@H]1CCC[C@@H](OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153193 949280320 /nfs/dbraw/zinc/28/03/20/949280320.db2.gz LJBCPXLJMMHDDM-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCC[C@@H](OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153193 949280343 /nfs/dbraw/zinc/28/03/43/949280343.db2.gz LJBCPXLJMMHDDM-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)C(=O)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573793063 949282638 /nfs/dbraw/zinc/28/26/38/949282638.db2.gz JTMWIDGMWCYVRW-NEPJUHHUSA-N -1 1 384.444 0.842 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574454747 949285788 /nfs/dbraw/zinc/28/57/88/949285788.db2.gz BUDQOOQVTFGNCF-AULYBMBSSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1cc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)c(=O)[nH]c1=O ZINC001574454753 949288958 /nfs/dbraw/zinc/28/89/58/949288958.db2.gz CBMRMOTTWSBZMK-UHFFFAOYSA-N -1 1 390.429 0.771 20 0 GCADMM CC1=C(C)C[C@](C)(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CC1 ZINC001575860230 949291249 /nfs/dbraw/zinc/29/12/49/949291249.db2.gz DQHNQYMFLHQGMX-ZRGWGRIASA-N -1 1 398.471 0.849 20 0 GCADMM CC1=C(C)C[C@](C)(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CC1 ZINC001575860230 949291271 /nfs/dbraw/zinc/29/12/71/949291271.db2.gz DQHNQYMFLHQGMX-ZRGWGRIASA-N -1 1 398.471 0.849 20 0 GCADMM C[C@H](CNC(=O)Cc1cn(C)c2ccccc12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941175 949293387 /nfs/dbraw/zinc/29/33/87/949293387.db2.gz BLAHUGHJMITPFM-GFCCVEGCSA-N -1 1 391.439 0.730 20 0 GCADMM CC(C)n1cc(Cl)c(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001574455771 949308675 /nfs/dbraw/zinc/30/86/75/949308675.db2.gz XPKUPTBQLCDZFH-UHFFFAOYSA-N -1 1 393.795 0.589 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457236 949314017 /nfs/dbraw/zinc/31/40/17/949314017.db2.gz CZAFCJHIWYLENB-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457236 949314037 /nfs/dbraw/zinc/31/40/37/949314037.db2.gz CZAFCJHIWYLENB-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457218 949316571 /nfs/dbraw/zinc/31/65/71/949316571.db2.gz BVHGSDFNOGBJKE-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457218 949316592 /nfs/dbraw/zinc/31/65/92/949316592.db2.gz BVHGSDFNOGBJKE-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)n1 ZINC001574457273 949321581 /nfs/dbraw/zinc/32/15/81/949321581.db2.gz FJQQKRJBRQGODN-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)n1 ZINC001574457273 949321598 /nfs/dbraw/zinc/32/15/98/949321598.db2.gz FJQQKRJBRQGODN-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457335 949321789 /nfs/dbraw/zinc/32/17/89/949321789.db2.gz HHESDPHBYIMBMH-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457335 949321814 /nfs/dbraw/zinc/32/18/14/949321814.db2.gz HHESDPHBYIMBMH-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)CC(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001574109708 949324705 /nfs/dbraw/zinc/32/47/05/949324705.db2.gz ANIOTPJPROHZHI-CQSZACIVSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001574458166 949335117 /nfs/dbraw/zinc/33/51/17/949335117.db2.gz QCUDGUNYAORTEO-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001574458166 949335137 /nfs/dbraw/zinc/33/51/37/949335137.db2.gz QCUDGUNYAORTEO-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574458146 949338271 /nfs/dbraw/zinc/33/82/71/949338271.db2.gz PPGBHGNKKLYSRM-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574458146 949338291 /nfs/dbraw/zinc/33/82/91/949338291.db2.gz PPGBHGNKKLYSRM-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574459318 949350512 /nfs/dbraw/zinc/35/05/12/949350512.db2.gz AKILEXJXHDSBAW-ZDUSSCGKSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574459318 949350539 /nfs/dbraw/zinc/35/05/39/949350539.db2.gz AKILEXJXHDSBAW-ZDUSSCGKSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574110156 949352801 /nfs/dbraw/zinc/35/28/01/949352801.db2.gz SOEDIJZEMXBENC-UONOGXRCSA-N -1 1 396.459 0.843 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574110156 949352822 /nfs/dbraw/zinc/35/28/22/949352822.db2.gz SOEDIJZEMXBENC-UONOGXRCSA-N -1 1 396.459 0.843 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574459451 949356928 /nfs/dbraw/zinc/35/69/28/949356928.db2.gz HBBHIUBVAQAZIX-ZDUSSCGKSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574459451 949356945 /nfs/dbraw/zinc/35/69/45/949356945.db2.gz HBBHIUBVAQAZIX-ZDUSSCGKSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574459553 949363486 /nfs/dbraw/zinc/36/34/86/949363486.db2.gz JBLYZYJSNQRQET-ZDUSSCGKSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574459553 949363507 /nfs/dbraw/zinc/36/35/07/949363507.db2.gz JBLYZYJSNQRQET-ZDUSSCGKSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnon1 ZINC001576154825 949365844 /nfs/dbraw/zinc/36/58/44/949365844.db2.gz FMVACIAFZGGPLB-MGPLVRAMSA-N -1 1 384.404 0.252 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573799341 949369249 /nfs/dbraw/zinc/36/92/49/949369249.db2.gz LMFWHHNJGMLMOT-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573799341 949369273 /nfs/dbraw/zinc/36/92/73/949369273.db2.gz LMFWHHNJGMLMOT-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575260927 949369983 /nfs/dbraw/zinc/36/99/83/949369983.db2.gz YORSIIYGKJEJJU-GXTWGEPZSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575260927 949370002 /nfs/dbraw/zinc/37/00/02/949370002.db2.gz YORSIIYGKJEJJU-GXTWGEPZSA-N -1 1 384.444 0.725 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574460263 949371552 /nfs/dbraw/zinc/37/15/52/949371552.db2.gz SRWIBJYMQVICOP-LBPRGKRZSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574460263 949371577 /nfs/dbraw/zinc/37/15/77/949371577.db2.gz SRWIBJYMQVICOP-LBPRGKRZSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574943065 949374996 /nfs/dbraw/zinc/37/49/96/949374996.db2.gz VSLWURCHLHBOOM-GFCCVEGCSA-N -1 1 384.448 0.841 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574943065 949375018 /nfs/dbraw/zinc/37/50/18/949375018.db2.gz VSLWURCHLHBOOM-GFCCVEGCSA-N -1 1 384.448 0.841 20 0 GCADMM C[C@H]1CCC[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001576154982 949375614 /nfs/dbraw/zinc/37/56/14/949375614.db2.gz RYPOXFAQEOTJEF-QWRGUYRKSA-N -1 1 388.432 0.664 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573799565 949376054 /nfs/dbraw/zinc/37/60/54/949376054.db2.gz NOAJSDUNFBNVDR-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573799565 949376075 /nfs/dbraw/zinc/37/60/75/949376075.db2.gz NOAJSDUNFBNVDR-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H]1[C@@H](C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H]1c1ccccc1 ZINC001575865550 949376609 /nfs/dbraw/zinc/37/66/09/949376609.db2.gz LSVWRPGPCFLSJP-LEWSCRJBSA-N -1 1 381.396 0.295 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573799666 949379764 /nfs/dbraw/zinc/37/97/64/949379764.db2.gz PBWVNCIVHQUZBH-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573799666 949379785 /nfs/dbraw/zinc/37/97/85/949379785.db2.gz PBWVNCIVHQUZBH-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)N(C)c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574943780 949380444 /nfs/dbraw/zinc/38/04/44/949380444.db2.gz YDIRTZLLTZZRSU-LBPRGKRZSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)N(C)c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574943780 949380466 /nfs/dbraw/zinc/38/04/66/949380466.db2.gz YDIRTZLLTZZRSU-LBPRGKRZSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574460934 949380700 /nfs/dbraw/zinc/38/07/00/949380700.db2.gz ZKLZIWRUAWABEA-CYBMUJFWSA-N -1 1 382.432 0.112 20 0 GCADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575527998 949384807 /nfs/dbraw/zinc/38/48/07/949384807.db2.gz KTIFLTXTXDQVRM-XIKOKIGWSA-N -1 1 386.460 0.544 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573799954 949385446 /nfs/dbraw/zinc/38/54/46/949385446.db2.gz RXYGRLHTLVRKRM-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573799954 949385468 /nfs/dbraw/zinc/38/54/68/949385468.db2.gz RXYGRLHTLVRKRM-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574463946 949391494 /nfs/dbraw/zinc/39/14/94/949391494.db2.gz CILAAFUOEMQUEG-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573800292 949391576 /nfs/dbraw/zinc/39/15/76/949391576.db2.gz WSPXGFKMKCYAJU-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573800292 949391594 /nfs/dbraw/zinc/39/15/94/949391594.db2.gz WSPXGFKMKCYAJU-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574463946 949391518 /nfs/dbraw/zinc/39/15/18/949391518.db2.gz CILAAFUOEMQUEG-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574463989 949391863 /nfs/dbraw/zinc/39/18/63/949391863.db2.gz DPIQACVMEWAGTR-TXEJJXNPSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574463997 949392168 /nfs/dbraw/zinc/39/21/68/949392168.db2.gz DUJJECIRHRLUCD-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574463997 949392190 /nfs/dbraw/zinc/39/21/90/949392190.db2.gz DUJJECIRHRLUCD-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574463923 949393221 /nfs/dbraw/zinc/39/32/21/949393221.db2.gz BGKKVCYDTKOSAM-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574463923 949393238 /nfs/dbraw/zinc/39/32/38/949393238.db2.gz BGKKVCYDTKOSAM-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001574464166 949395444 /nfs/dbraw/zinc/39/54/44/949395444.db2.gz HSTQDMFCAHHFCS-GFCCVEGCSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574464180 949398329 /nfs/dbraw/zinc/39/83/29/949398329.db2.gz IEUYUNLFFMURHF-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464180 949398352 /nfs/dbraw/zinc/39/83/52/949398352.db2.gz IEUYUNLFFMURHF-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574464181 949403270 /nfs/dbraw/zinc/40/32/70/949403270.db2.gz IEUYUNLFFMURHF-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464181 949403279 /nfs/dbraw/zinc/40/32/79/949403279.db2.gz IEUYUNLFFMURHF-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001573801792 949405002 /nfs/dbraw/zinc/40/50/02/949405002.db2.gz CQJXTUMLLOJKEU-UHFFFAOYSA-N -1 1 375.389 0.296 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001573801792 949405016 /nfs/dbraw/zinc/40/50/16/949405016.db2.gz CQJXTUMLLOJKEU-UHFFFAOYSA-N -1 1 375.389 0.296 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575263904 949417268 /nfs/dbraw/zinc/41/72/68/949417268.db2.gz LEUUKFORQMASMI-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575263904 949417280 /nfs/dbraw/zinc/41/72/80/949417280.db2.gz LEUUKFORQMASMI-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574464663 949421606 /nfs/dbraw/zinc/42/16/06/949421606.db2.gz QIECRSFSMBBXGA-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574464663 949421620 /nfs/dbraw/zinc/42/16/20/949421620.db2.gz QIECRSFSMBBXGA-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575264189 949421768 /nfs/dbraw/zinc/42/17/68/949421768.db2.gz MQGKEMLNCZYHCV-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575264189 949421787 /nfs/dbraw/zinc/42/17/87/949421787.db2.gz MQGKEMLNCZYHCV-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866877 949426251 /nfs/dbraw/zinc/42/62/51/949426251.db2.gz IJCPLXDIWSMWQG-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866877 949426258 /nfs/dbraw/zinc/42/62/58/949426258.db2.gz IJCPLXDIWSMWQG-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575264350 949426116 /nfs/dbraw/zinc/42/61/16/949426116.db2.gz NSWZEBLOUBUTLJ-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575264350 949426128 /nfs/dbraw/zinc/42/61/28/949426128.db2.gz NSWZEBLOUBUTLJ-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM CC1(C(=O)N2CCC(N(CCO)c3cncc(-c4nnn[n-]4)n3)CC2)CCC1 ZINC001575534591 949431003 /nfs/dbraw/zinc/43/10/03/949431003.db2.gz OOMCXQWEHDWIIG-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC(N(CCO)c3cncc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001575534591 949431019 /nfs/dbraw/zinc/43/10/19/949431019.db2.gz OOMCXQWEHDWIIG-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@]1(C(=O)N2CCC(CCNc3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575534594 949431414 /nfs/dbraw/zinc/43/14/14/949431414.db2.gz OQXABEJVGCSIBV-SFHVURJKSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575868025 949447795 /nfs/dbraw/zinc/44/77/95/949447795.db2.gz KYCOKJGHRBQHRG-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575868025 949447807 /nfs/dbraw/zinc/44/78/07/949447807.db2.gz KYCOKJGHRBQHRG-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)C1 ZINC001576156607 949450538 /nfs/dbraw/zinc/45/05/38/949450538.db2.gz YVADJYGRBSSZQB-NWDGAFQWSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)C1 ZINC001576156607 949450549 /nfs/dbraw/zinc/45/05/49/949450549.db2.gz YVADJYGRBSSZQB-NWDGAFQWSA-N -1 1 390.448 0.960 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001574468026 949454465 /nfs/dbraw/zinc/45/44/65/949454465.db2.gz FEJCQIKYGJJMHL-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001574468026 949454479 /nfs/dbraw/zinc/45/44/79/949454479.db2.gz FEJCQIKYGJJMHL-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574948289 949457317 /nfs/dbraw/zinc/45/73/17/949457317.db2.gz HRSODLLJFUGFQO-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574948289 949457329 /nfs/dbraw/zinc/45/73/29/949457329.db2.gz HRSODLLJFUGFQO-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574948507 949469363 /nfs/dbraw/zinc/46/93/63/949469363.db2.gz KPNMYVRCRGQUHL-SSDOTTSWSA-N -1 1 382.841 0.433 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574948507 949469383 /nfs/dbraw/zinc/46/93/83/949469383.db2.gz KPNMYVRCRGQUHL-SSDOTTSWSA-N -1 1 382.841 0.433 20 0 GCADMM C[C@@H]1CCC[C@@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H]1C ZINC001576157268 949479827 /nfs/dbraw/zinc/47/98/27/949479827.db2.gz ZVKJSIBJBFCDAN-WOPDTQHZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574949297 949485477 /nfs/dbraw/zinc/48/54/77/949485477.db2.gz SNVLMFRXOIBFGY-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574949297 949485493 /nfs/dbraw/zinc/48/54/93/949485493.db2.gz SNVLMFRXOIBFGY-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574118353 949487236 /nfs/dbraw/zinc/48/72/36/949487236.db2.gz FLJSDUOECYOHFS-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574118353 949487248 /nfs/dbraw/zinc/48/72/48/949487248.db2.gz FLJSDUOECYOHFS-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574470119 949489546 /nfs/dbraw/zinc/48/95/46/949489546.db2.gz MKROYTZTGQEARS-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573806779 949492155 /nfs/dbraw/zinc/49/21/55/949492155.db2.gz VSFQHWNHGWCVME-UHFFFAOYSA-N -1 1 381.400 0.966 20 0 GCADMM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573806779 949492166 /nfs/dbraw/zinc/49/21/66/949492166.db2.gz VSFQHWNHGWCVME-UHFFFAOYSA-N -1 1 381.400 0.966 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574118949 949494390 /nfs/dbraw/zinc/49/43/90/949494390.db2.gz HBFUKWQMDUBHLV-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)(C)C(=O)NCc1nc(CNc2ccc(-c3nn[n-]n3)nn2)cc(=O)[nH]1 ZINC001573806918 949500331 /nfs/dbraw/zinc/50/03/31/949500331.db2.gz XSMGODOKMQJCLT-UHFFFAOYSA-N -1 1 384.404 0.427 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccn[nH]1 ZINC001576158499 949500265 /nfs/dbraw/zinc/50/02/65/949500265.db2.gz TXAACAOXCHQUNB-GTNSWQLSSA-N -1 1 382.432 0.593 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574119850 949500569 /nfs/dbraw/zinc/50/05/69/949500569.db2.gz KQBDDZZYGHPXJW-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574119850 949500579 /nfs/dbraw/zinc/50/05/79/949500579.db2.gz KQBDDZZYGHPXJW-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574708877 949500835 /nfs/dbraw/zinc/50/08/35/949500835.db2.gz XZFBBRDWLTUBJU-QWRGUYRKSA-N -1 1 382.432 0.181 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574119864 949504590 /nfs/dbraw/zinc/50/45/90/949504590.db2.gz LFZCHDAGPMOZIE-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574119864 949504610 /nfs/dbraw/zinc/50/46/10/949504610.db2.gz LFZCHDAGPMOZIE-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574120766 949505238 /nfs/dbraw/zinc/50/52/38/949505238.db2.gz MKQICZBGOGWFRS-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574120766 949505256 /nfs/dbraw/zinc/50/52/56/949505256.db2.gz MKQICZBGOGWFRS-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001574470761 949512451 /nfs/dbraw/zinc/51/24/51/949512451.db2.gz UHPIEBNUXGNYFX-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001574470761 949512468 /nfs/dbraw/zinc/51/24/68/949512468.db2.gz UHPIEBNUXGNYFX-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574470818 949516639 /nfs/dbraw/zinc/51/66/39/949516639.db2.gz UTFJZRUUOPJBCO-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574949882 949518830 /nfs/dbraw/zinc/51/88/30/949518830.db2.gz GGHGRMGNHHHGQS-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574949882 949518848 /nfs/dbraw/zinc/51/88/48/949518848.db2.gz GGHGRMGNHHHGQS-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710885 949519353 /nfs/dbraw/zinc/51/93/53/949519353.db2.gz BSOCERGJRKFBHY-DGCLKSJQSA-N -1 1 379.428 0.462 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871758 949520042 /nfs/dbraw/zinc/52/00/42/949520042.db2.gz BYGYIPIFTGYTTQ-RYUDHWBXSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871758 949520053 /nfs/dbraw/zinc/52/00/53/949520053.db2.gz BYGYIPIFTGYTTQ-RYUDHWBXSA-N -1 1 388.432 0.283 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574949883 949521220 /nfs/dbraw/zinc/52/12/20/949521220.db2.gz GGHGRMGNHHHGQS-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574949883 949521233 /nfs/dbraw/zinc/52/12/33/949521233.db2.gz GGHGRMGNHHHGQS-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574471042 949521633 /nfs/dbraw/zinc/52/16/33/949521633.db2.gz YYLAQJBQMMFMRM-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574471042 949521653 /nfs/dbraw/zinc/52/16/53/949521653.db2.gz YYLAQJBQMMFMRM-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574122042 949521806 /nfs/dbraw/zinc/52/18/06/949521806.db2.gz UAPZUPQQOJNOFR-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574122042 949521823 /nfs/dbraw/zinc/52/18/23/949521823.db2.gz UAPZUPQQOJNOFR-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574122011 949522883 /nfs/dbraw/zinc/52/28/83/949522883.db2.gz SWDVHGNTRBBVMO-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574122011 949522901 /nfs/dbraw/zinc/52/29/01/949522901.db2.gz SWDVHGNTRBBVMO-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574122646 949529692 /nfs/dbraw/zinc/52/96/92/949529692.db2.gz ZOKBKWAKYJEYJL-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574122646 949529704 /nfs/dbraw/zinc/52/97/04/949529704.db2.gz ZOKBKWAKYJEYJL-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576163461 949536271 /nfs/dbraw/zinc/53/62/71/949536271.db2.gz BMWRRLSQJZGEMT-DZGCQCFKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576163461 949536286 /nfs/dbraw/zinc/53/62/86/949536286.db2.gz BMWRRLSQJZGEMT-DZGCQCFKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163852 949538674 /nfs/dbraw/zinc/53/86/74/949538674.db2.gz CWKFQLCOYSEVTF-VXGBXAGGSA-N -1 1 386.416 0.006 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711488 949542546 /nfs/dbraw/zinc/54/25/46/949542546.db2.gz HTIGXQWSGMTNGN-WCQYABFASA-N -1 1 380.412 0.514 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872395 949546541 /nfs/dbraw/zinc/54/65/41/949546541.db2.gz IUWYKGSLBDDZJX-RYUDHWBXSA-N -1 1 390.423 0.649 20 0 GCADMM CC(C)CC(=O)NCCC(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001574123239 949547442 /nfs/dbraw/zinc/54/74/42/949547442.db2.gz OGIIZXQIVGQQHJ-UHFFFAOYSA-N -1 1 397.443 0.997 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711712 949549322 /nfs/dbraw/zinc/54/93/22/949549322.db2.gz KRNHHQPGUAITDS-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711712 949549333 /nfs/dbraw/zinc/54/93/33/949549333.db2.gz KRNHHQPGUAITDS-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@]1(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CCOC1 ZINC001575539570 949551935 /nfs/dbraw/zinc/55/19/35/949551935.db2.gz QVOZVVBGQIDIPD-ROUUACIJSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@]1(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CCOC1 ZINC001575539570 949551944 /nfs/dbraw/zinc/55/19/44/949551944.db2.gz QVOZVVBGQIDIPD-ROUUACIJSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575539607 949553917 /nfs/dbraw/zinc/55/39/17/949553917.db2.gz RPFDKZDQOIGJSC-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575539607 949553929 /nfs/dbraw/zinc/55/39/29/949553929.db2.gz RPFDKZDQOIGJSC-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575539734 949555485 /nfs/dbraw/zinc/55/54/85/949555485.db2.gz SHSLUIBRRQHLMP-SCLBCKFNSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164565 949557737 /nfs/dbraw/zinc/55/77/37/949557737.db2.gz HKWHCALRVKYIMS-KBPBESRZSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574472966 949561465 /nfs/dbraw/zinc/56/14/65/949561465.db2.gz XJZXTQMKKXSREU-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574472966 949561485 /nfs/dbraw/zinc/56/14/85/949561485.db2.gz XJZXTQMKKXSREU-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164942 949563927 /nfs/dbraw/zinc/56/39/27/949563927.db2.gz INYUKIJRJGFHCK-TZMCWYRMSA-N -1 1 384.444 0.464 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575269893 949568676 /nfs/dbraw/zinc/56/86/76/949568676.db2.gz XGSQDPIGSWXQQQ-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575270063 949570396 /nfs/dbraw/zinc/57/03/96/949570396.db2.gz ANEXRBHLBBBXOM-RNFRBKRXSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575270063 949570409 /nfs/dbraw/zinc/57/04/09/949570409.db2.gz ANEXRBHLBBBXOM-RNFRBKRXSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873236 949571944 /nfs/dbraw/zinc/57/19/44/949571944.db2.gz AHRVOLOGAOIKSO-VHSXEESVSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873236 949571956 /nfs/dbraw/zinc/57/19/56/949571956.db2.gz AHRVOLOGAOIKSO-VHSXEESVSA-N -1 1 382.375 0.412 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574124679 949576871 /nfs/dbraw/zinc/57/68/71/949576871.db2.gz JIZMYZQXTLFHQJ-NEPJUHHUSA-N -1 1 387.448 0.065 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574124679 949576884 /nfs/dbraw/zinc/57/68/84/949576884.db2.gz JIZMYZQXTLFHQJ-NEPJUHHUSA-N -1 1 387.448 0.065 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873264 949578576 /nfs/dbraw/zinc/57/85/76/949578576.db2.gz AJJVPHFEKHSQDL-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873264 949578588 /nfs/dbraw/zinc/57/85/88/949578588.db2.gz AJJVPHFEKHSQDL-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574475966 949583372 /nfs/dbraw/zinc/58/33/72/949583372.db2.gz DPXQRRBOKMCQBG-CHWSQXEVSA-N -1 1 390.492 0.772 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270324 949584721 /nfs/dbraw/zinc/58/47/21/949584721.db2.gz ZHUIZZFFCIJVQR-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270324 949584735 /nfs/dbraw/zinc/58/47/35/949584735.db2.gz ZHUIZZFFCIJVQR-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1COCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574712881 949589838 /nfs/dbraw/zinc/58/98/38/949589838.db2.gz UWEBEGHWKSIBNO-JGVFFNPUSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1COCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574712881 949589853 /nfs/dbraw/zinc/58/98/53/949589853.db2.gz UWEBEGHWKSIBNO-JGVFFNPUSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574476263 949594361 /nfs/dbraw/zinc/59/43/61/949594361.db2.gz FSTILTWYRQOSLK-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574476263 949594384 /nfs/dbraw/zinc/59/43/84/949594384.db2.gz FSTILTWYRQOSLK-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873947 949595168 /nfs/dbraw/zinc/59/51/68/949595168.db2.gz CSLMYJJNDOSWKF-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873892 949597536 /nfs/dbraw/zinc/59/75/36/949597536.db2.gz QSBOUIAOVJWGGM-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873892 949597553 /nfs/dbraw/zinc/59/75/53/949597553.db2.gz QSBOUIAOVJWGGM-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@]1(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575545254 949598626 /nfs/dbraw/zinc/59/86/26/949598626.db2.gz JQKCSRWXPYOBGL-ACJLOTCBSA-N -1 1 386.460 0.688 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574126059 949600588 /nfs/dbraw/zinc/60/05/88/949600588.db2.gz YBQXBTXYHPORNJ-ZDUSSCGKSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574126059 949600612 /nfs/dbraw/zinc/60/06/12/949600612.db2.gz YBQXBTXYHPORNJ-ZDUSSCGKSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@@H](CC(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(N)=O ZINC001574476454 949601121 /nfs/dbraw/zinc/60/11/21/949601121.db2.gz CUJCEBLSEWYFQO-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713512 949606059 /nfs/dbraw/zinc/60/60/59/949606059.db2.gz XVAAQHUBMQXELG-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713512 949606077 /nfs/dbraw/zinc/60/60/77/949606077.db2.gz XVAAQHUBMQXELG-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576167561 949608197 /nfs/dbraw/zinc/60/81/97/949608197.db2.gz QNBGGKCICRWSDK-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575546155 949608247 /nfs/dbraw/zinc/60/82/47/949608247.db2.gz PAPGSKRKQXZLCN-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575546155 949608271 /nfs/dbraw/zinc/60/82/71/949608271.db2.gz PAPGSKRKQXZLCN-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576167561 949608212 /nfs/dbraw/zinc/60/82/12/949608212.db2.gz QNBGGKCICRWSDK-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574713718 949608472 /nfs/dbraw/zinc/60/84/72/949608472.db2.gz BOCWWHNJLMGFPM-OLZOCXBDSA-N -1 1 381.444 0.926 20 0 GCADMM C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575271063 949609098 /nfs/dbraw/zinc/60/90/98/949609098.db2.gz HUASLBCHWLWPRB-STQMWFEESA-N -1 1 381.444 0.802 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713692 949610014 /nfs/dbraw/zinc/61/00/14/949610014.db2.gz BGHOFOXDBLAPQT-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713692 949610025 /nfs/dbraw/zinc/61/00/25/949610025.db2.gz BGHOFOXDBLAPQT-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575546205 949610290 /nfs/dbraw/zinc/61/02/90/949610290.db2.gz PFTMQFROULHNPM-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575546205 949610300 /nfs/dbraw/zinc/61/03/00/949610300.db2.gz PFTMQFROULHNPM-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575271060 949611729 /nfs/dbraw/zinc/61/17/29/949611729.db2.gz HUASLBCHWLWPRB-CHWSQXEVSA-N -1 1 381.444 0.802 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167884 949617078 /nfs/dbraw/zinc/61/70/78/949617078.db2.gz AAJRNSGLYHYUEZ-SMDDNHRTSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575546863 949617948 /nfs/dbraw/zinc/61/79/48/949617948.db2.gz SFABBIOWHZSQTO-LBTNJELSSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874759 949617996 /nfs/dbraw/zinc/61/79/96/949617996.db2.gz GNZWIJPDHLORFP-YPMHNXCESA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874759 949618009 /nfs/dbraw/zinc/61/80/09/949618009.db2.gz GNZWIJPDHLORFP-YPMHNXCESA-N -1 1 383.416 0.751 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575546863 949617962 /nfs/dbraw/zinc/61/79/62/949617962.db2.gz SFABBIOWHZSQTO-LBTNJELSSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575547224 949621648 /nfs/dbraw/zinc/62/16/48/949621648.db2.gz WDRWADVNHGSHLK-SCLBCKFNSA-N -1 1 386.460 0.688 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574128100 949623581 /nfs/dbraw/zinc/62/35/81/949623581.db2.gz LCKCPCKIDVYDRP-CYBMUJFWSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574128100 949623596 /nfs/dbraw/zinc/62/35/96/949623596.db2.gz LCKCPCKIDVYDRP-CYBMUJFWSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575271771 949628626 /nfs/dbraw/zinc/62/86/26/949628626.db2.gz LWGLICUBNGBUQQ-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575271771 949628634 /nfs/dbraw/zinc/62/86/34/949628634.db2.gz LWGLICUBNGBUQQ-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575271767 949629794 /nfs/dbraw/zinc/62/97/94/949629794.db2.gz LWGLICUBNGBUQQ-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575271767 949629806 /nfs/dbraw/zinc/62/98/06/949629806.db2.gz LWGLICUBNGBUQQ-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM CC1(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575547550 949630318 /nfs/dbraw/zinc/63/03/18/949630318.db2.gz ZMYCEIKERLWUNE-ZDUSSCGKSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575272121 949632900 /nfs/dbraw/zinc/63/29/00/949632900.db2.gz NSHOCWGIPNPSLA-NWDGAFQWSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575272121 949632910 /nfs/dbraw/zinc/63/29/10/949632910.db2.gz NSHOCWGIPNPSLA-NWDGAFQWSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575272087 949634175 /nfs/dbraw/zinc/63/41/75/949634175.db2.gz NHRZUHJZEJATIA-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM CC1(C(=O)N2CCO[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575547670 949636158 /nfs/dbraw/zinc/63/61/58/949636158.db2.gz BVGQZSYYSWGRGO-CYBMUJFWSA-N -1 1 386.460 0.688 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574129285 949636246 /nfs/dbraw/zinc/63/62/46/949636246.db2.gz SKINMXNFPLILIU-GFCCVEGCSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574129285 949636258 /nfs/dbraw/zinc/63/62/58/949636258.db2.gz SKINMXNFPLILIU-GFCCVEGCSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574958043 949647080 /nfs/dbraw/zinc/64/70/80/949647080.db2.gz DINNAHMPDGZEKY-DDTOSNHZSA-N -1 1 382.403 0.938 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958041 949647137 /nfs/dbraw/zinc/64/71/37/949647137.db2.gz DHYWMSFVZGBXHU-IJLUTSLNSA-N -1 1 382.432 0.135 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573814762 949649100 /nfs/dbraw/zinc/64/91/00/949649100.db2.gz FNKJHLKXIGDPDQ-QWHCGFSZSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574477343 949650624 /nfs/dbraw/zinc/65/06/24/949650624.db2.gz QKCKTDGNLGMNJG-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574715398 949651914 /nfs/dbraw/zinc/65/19/14/949651914.db2.gz BYIOAWYBGGZBMM-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574715398 949651929 /nfs/dbraw/zinc/65/19/29/949651929.db2.gz BYIOAWYBGGZBMM-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)COCC(F)F ZINC001573815252 949653783 /nfs/dbraw/zinc/65/37/83/949653783.db2.gz HMMSTNMZPZDTNW-JTQLQIEISA-N -1 1 384.391 0.881 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)COCC(F)F ZINC001573815252 949653791 /nfs/dbraw/zinc/65/37/91/949653791.db2.gz HMMSTNMZPZDTNW-JTQLQIEISA-N -1 1 384.391 0.881 20 0 GCADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958180 949655776 /nfs/dbraw/zinc/65/57/76/949655776.db2.gz NBWKFYDQDVOWMD-KXEKKFMESA-N -1 1 383.865 0.954 20 0 GCADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958180 949655790 /nfs/dbraw/zinc/65/57/90/949655790.db2.gz NBWKFYDQDVOWMD-KXEKKFMESA-N -1 1 383.865 0.954 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168968 949658079 /nfs/dbraw/zinc/65/80/79/949658079.db2.gz DEXHZYSONBGNAC-GXTWGEPZSA-N -1 1 381.444 0.688 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573815896 949661002 /nfs/dbraw/zinc/66/10/02/949661002.db2.gz LTBMNYVOYZWFPV-CMPLNLGQSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573815896 949661016 /nfs/dbraw/zinc/66/10/16/949661016.db2.gz LTBMNYVOYZWFPV-CMPLNLGQSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574477536 949661379 /nfs/dbraw/zinc/66/13/79/949661379.db2.gz SAWQZPVHAOFOKH-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574477536 949661390 /nfs/dbraw/zinc/66/13/90/949661390.db2.gz SAWQZPVHAOFOKH-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169056 949662505 /nfs/dbraw/zinc/66/25/05/949662505.db2.gz DPZPPFVPRAFLBZ-OCCSQVGLSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169056 949662520 /nfs/dbraw/zinc/66/25/20/949662520.db2.gz DPZPPFVPRAFLBZ-OCCSQVGLSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169057 949662751 /nfs/dbraw/zinc/66/27/51/949662751.db2.gz DPZPPFVPRAFLBZ-TZMCWYRMSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169057 949662766 /nfs/dbraw/zinc/66/27/66/949662766.db2.gz DPZPPFVPRAFLBZ-TZMCWYRMSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574477593 949665581 /nfs/dbraw/zinc/66/55/81/949665581.db2.gz PQVNWBOGHOTYKB-SECBINFHSA-N -1 1 388.354 0.478 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574477593 949665600 /nfs/dbraw/zinc/66/56/00/949665600.db2.gz PQVNWBOGHOTYKB-SECBINFHSA-N -1 1 388.354 0.478 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574131864 949671932 /nfs/dbraw/zinc/67/19/32/949671932.db2.gz MYLLGUSEHKHUQJ-SFHVURJKSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574131864 949671941 /nfs/dbraw/zinc/67/19/41/949671941.db2.gz MYLLGUSEHKHUQJ-SFHVURJKSA-N -1 1 388.476 0.786 20 0 GCADMM CC1(C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575548382 949672318 /nfs/dbraw/zinc/67/23/18/949672318.db2.gz ZBKWDJXCROUYIV-GFCCVEGCSA-N -1 1 388.432 0.113 20 0 GCADMM CC1(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575548382 949672331 /nfs/dbraw/zinc/67/23/31/949672331.db2.gz ZBKWDJXCROUYIV-GFCCVEGCSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575273818 949672205 /nfs/dbraw/zinc/67/22/05/949672205.db2.gz YFTPLRQTDRATTE-NWDGAFQWSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575273818 949672220 /nfs/dbraw/zinc/67/22/20/949672220.db2.gz YFTPLRQTDRATTE-NWDGAFQWSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958455 949675199 /nfs/dbraw/zinc/67/51/99/949675199.db2.gz JXGFXFDUCWMTCR-KGYLQXTDSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958455 949675209 /nfs/dbraw/zinc/67/52/09/949675209.db2.gz JXGFXFDUCWMTCR-KGYLQXTDSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878197 949676238 /nfs/dbraw/zinc/67/62/38/949676238.db2.gz NWFOWLBHSQZZKF-AAEUAGOBSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878197 949676252 /nfs/dbraw/zinc/67/62/52/949676252.db2.gz NWFOWLBHSQZZKF-AAEUAGOBSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878739 949678411 /nfs/dbraw/zinc/67/84/11/949678411.db2.gz OPNAEHOMLLEEIG-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878739 949678425 /nfs/dbraw/zinc/67/84/25/949678425.db2.gz OPNAEHOMLLEEIG-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1COCCO1 ZINC001573816377 949678563 /nfs/dbraw/zinc/67/85/63/949678563.db2.gz RQEGJFBJKUTXBV-NWDGAFQWSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1COCCO1 ZINC001573816377 949678581 /nfs/dbraw/zinc/67/85/81/949678581.db2.gz RQEGJFBJKUTXBV-NWDGAFQWSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169553 949680420 /nfs/dbraw/zinc/68/04/20/949680420.db2.gz HEYMNKSWDUGYOK-OLZOCXBDSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169553 949680431 /nfs/dbraw/zinc/68/04/31/949680431.db2.gz HEYMNKSWDUGYOK-OLZOCXBDSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958535 949680676 /nfs/dbraw/zinc/68/06/76/949680676.db2.gz SJBZXFGRDCHEMI-RITPCOANSA-N -1 1 387.857 0.198 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958535 949680688 /nfs/dbraw/zinc/68/06/88/949680688.db2.gz SJBZXFGRDCHEMI-RITPCOANSA-N -1 1 387.857 0.198 20 0 GCADMM C[C@@H](CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574477839 949681021 /nfs/dbraw/zinc/68/10/21/949681021.db2.gz VKGFKJYJOCVNJM-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574477839 949681032 /nfs/dbraw/zinc/68/10/32/949681032.db2.gz VKGFKJYJOCVNJM-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574477914 949686137 /nfs/dbraw/zinc/68/61/37/949686137.db2.gz WHQVYHQAQBNBKN-RKDXNWHRSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574477914 949686149 /nfs/dbraw/zinc/68/61/49/949686149.db2.gz WHQVYHQAQBNBKN-RKDXNWHRSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574958810 949695974 /nfs/dbraw/zinc/69/59/74/949695974.db2.gz NSEIKYXFJQHCBY-FPMFFAJLSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574958810 949695985 /nfs/dbraw/zinc/69/59/85/949695985.db2.gz NSEIKYXFJQHCBY-FPMFFAJLSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574132675 949697811 /nfs/dbraw/zinc/69/78/11/949697811.db2.gz APJGAYRQGJWAAY-CHWSQXEVSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574132675 949697825 /nfs/dbraw/zinc/69/78/25/949697825.db2.gz APJGAYRQGJWAAY-CHWSQXEVSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573817706 949703359 /nfs/dbraw/zinc/70/33/59/949703359.db2.gz AJKUCVDWKYWIIE-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573817706 949703374 /nfs/dbraw/zinc/70/33/74/949703374.db2.gz AJKUCVDWKYWIIE-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574478374 949704608 /nfs/dbraw/zinc/70/46/08/949704608.db2.gz YWHXVEJEKBKEDB-NEPJUHHUSA-N -1 1 386.416 0.097 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCCC(N)=O ZINC001573817857 949706875 /nfs/dbraw/zinc/70/68/75/949706875.db2.gz BYIKVWOCLZETNB-LLVKDONJSA-N -1 1 375.437 0.255 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCCC(N)=O ZINC001573817857 949706900 /nfs/dbraw/zinc/70/69/00/949706900.db2.gz BYIKVWOCLZETNB-LLVKDONJSA-N -1 1 375.437 0.255 20 0 GCADMM CC1(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CCOCC1 ZINC001575557193 949711058 /nfs/dbraw/zinc/71/10/58/949711058.db2.gz CYZPLGSTAKZVOJ-KGLIPLIRSA-N -1 1 398.471 0.758 20 0 GCADMM CC1(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CCOCC1 ZINC001575557193 949711066 /nfs/dbraw/zinc/71/10/66/949711066.db2.gz CYZPLGSTAKZVOJ-KGLIPLIRSA-N -1 1 398.471 0.758 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(F)CCOC1 ZINC001573817994 949711535 /nfs/dbraw/zinc/71/15/35/949711535.db2.gz DKZIFESLYDILJB-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(F)CCOC1 ZINC001573817994 949711563 /nfs/dbraw/zinc/71/15/63/949711563.db2.gz DKZIFESLYDILJB-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@]1(F)CCOC1 ZINC001573817993 949711958 /nfs/dbraw/zinc/71/19/58/949711958.db2.gz DKZIFESLYDILJB-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@]1(F)CCOC1 ZINC001573817993 949711972 /nfs/dbraw/zinc/71/19/72/949711972.db2.gz DKZIFESLYDILJB-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575276130 949712538 /nfs/dbraw/zinc/71/25/38/949712538.db2.gz GTXFSMAJBHRQPV-QWHCGFSZSA-N -1 1 382.428 0.853 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573818026 949715078 /nfs/dbraw/zinc/71/50/78/949715078.db2.gz FCYBJOUDTUIURT-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573818026 949715087 /nfs/dbraw/zinc/71/50/87/949715087.db2.gz FCYBJOUDTUIURT-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@]1(F)CCOC1 ZINC001573817995 949715167 /nfs/dbraw/zinc/71/51/67/949715167.db2.gz DKZIFESLYDILJB-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@]1(F)CCOC1 ZINC001573817995 949715179 /nfs/dbraw/zinc/71/51/79/949715179.db2.gz DKZIFESLYDILJB-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881466 949724718 /nfs/dbraw/zinc/72/47/18/949724718.db2.gz XXJLILYMOGDCLL-OCCSQVGLSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881466 949724730 /nfs/dbraw/zinc/72/47/30/949724730.db2.gz XXJLILYMOGDCLL-OCCSQVGLSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574478843 949725495 /nfs/dbraw/zinc/72/54/95/949725495.db2.gz BJTFICZQMDUDCO-GXTWGEPZSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574961006 949733022 /nfs/dbraw/zinc/73/30/22/949733022.db2.gz ZIRROQSQRADEIT-KGYLQXTDSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574961006 949733042 /nfs/dbraw/zinc/73/30/42/949733042.db2.gz ZIRROQSQRADEIT-KGYLQXTDSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881826 949738839 /nfs/dbraw/zinc/73/88/39/949738839.db2.gz BMAAFNKBRHVOJF-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881826 949738845 /nfs/dbraw/zinc/73/88/45/949738845.db2.gz BMAAFNKBRHVOJF-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001573818696 949741779 /nfs/dbraw/zinc/74/17/79/949741779.db2.gz OIDHADYDOIPGEI-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001573818696 949741793 /nfs/dbraw/zinc/74/17/93/949741793.db2.gz OIDHADYDOIPGEI-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573818736 949742811 /nfs/dbraw/zinc/74/28/11/949742811.db2.gz PAWLXVWRAYLSPL-JQWIXIFHSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573818736 949742829 /nfs/dbraw/zinc/74/28/29/949742829.db2.gz PAWLXVWRAYLSPL-JQWIXIFHSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1cn[nH]c1 ZINC001573819005 949744165 /nfs/dbraw/zinc/74/41/65/949744165.db2.gz QQJXSIOUFSPNRM-CYBMUJFWSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001573819005 949744189 /nfs/dbraw/zinc/74/41/89/949744189.db2.gz QQJXSIOUFSPNRM-CYBMUJFWSA-N -1 1 384.448 0.955 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)CCOC1 ZINC001575559045 949746471 /nfs/dbraw/zinc/74/64/71/949746471.db2.gz UCCBDQDAPRTSMN-UUWFMWQGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574480241 949747639 /nfs/dbraw/zinc/74/76/39/949747639.db2.gz HYBABHNNTIUFTK-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574480241 949747660 /nfs/dbraw/zinc/74/76/60/949747660.db2.gz HYBABHNNTIUFTK-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881993 949747492 /nfs/dbraw/zinc/74/74/92/949747492.db2.gz FBJYJJRWUYTKIF-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881993 949747503 /nfs/dbraw/zinc/74/75/03/949747503.db2.gz FBJYJJRWUYTKIF-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574480260 949748936 /nfs/dbraw/zinc/74/89/36/949748936.db2.gz IBKWLWZCGXMSKS-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574480260 949748956 /nfs/dbraw/zinc/74/89/56/949748956.db2.gz IBKWLWZCGXMSKS-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001573819740 949754561 /nfs/dbraw/zinc/75/45/61/949754561.db2.gz UMLSDRBAZZYZTM-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001573819740 949754573 /nfs/dbraw/zinc/75/45/73/949754573.db2.gz UMLSDRBAZZYZTM-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001574481007 949763383 /nfs/dbraw/zinc/76/33/83/949763383.db2.gz MALHMEZIJMOYEO-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574481007 949763411 /nfs/dbraw/zinc/76/34/11/949763411.db2.gz MALHMEZIJMOYEO-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574480964 949765211 /nfs/dbraw/zinc/76/52/11/949765211.db2.gz LRSQNVCRJHICGG-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574480964 949765222 /nfs/dbraw/zinc/76/52/22/949765222.db2.gz LRSQNVCRJHICGG-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171487 949767778 /nfs/dbraw/zinc/76/77/78/949767778.db2.gz REAZHLPRLMDEOR-VXGBXAGGSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171487 949767793 /nfs/dbraw/zinc/76/77/93/949767793.db2.gz REAZHLPRLMDEOR-VXGBXAGGSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171497 949767838 /nfs/dbraw/zinc/76/78/38/949767838.db2.gz RGQCZJUXEVROJE-DKBOKBLXSA-N -1 1 384.444 0.010 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCCOC1 ZINC001575559884 949768871 /nfs/dbraw/zinc/76/88/71/949768871.db2.gz YUWQVGNYUSCZEN-TYILLQQXSA-N -1 1 398.471 0.758 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574481261 949773114 /nfs/dbraw/zinc/77/31/14/949773114.db2.gz NZPOIHUMKBVEBG-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574481261 949773122 /nfs/dbraw/zinc/77/31/22/949773122.db2.gz NZPOIHUMKBVEBG-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574481256 949774961 /nfs/dbraw/zinc/77/49/61/949774961.db2.gz NZPOIHUMKBVEBG-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574481256 949774978 /nfs/dbraw/zinc/77/49/78/949774978.db2.gz NZPOIHUMKBVEBG-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575559995 949775053 /nfs/dbraw/zinc/77/50/53/949775053.db2.gz HYMCXVZDMPFIIE-LXQQGXESSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575559995 949775070 /nfs/dbraw/zinc/77/50/70/949775070.db2.gz HYMCXVZDMPFIIE-LXQQGXESSA-N -1 1 384.444 0.699 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574137918 949779583 /nfs/dbraw/zinc/77/95/83/949779583.db2.gz YYCFPOQQQIRVIM-STQMWFEESA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574137918 949779593 /nfs/dbraw/zinc/77/95/93/949779593.db2.gz YYCFPOQQQIRVIM-STQMWFEESA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574481423 949780118 /nfs/dbraw/zinc/78/01/18/949780118.db2.gz PMZMXPSVNQHKFI-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574481423 949780132 /nfs/dbraw/zinc/78/01/32/949780132.db2.gz PMZMXPSVNQHKFI-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574138076 949781475 /nfs/dbraw/zinc/78/14/75/949781475.db2.gz ZVQMEINUVKABKU-OLZOCXBDSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574138076 949781487 /nfs/dbraw/zinc/78/14/87/949781487.db2.gz ZVQMEINUVKABKU-OLZOCXBDSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574481490 949781447 /nfs/dbraw/zinc/78/14/47/949781447.db2.gz QMDCQJDEMQYGER-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171783 949782113 /nfs/dbraw/zinc/78/21/13/949782113.db2.gz SEGFLIWSLDAZMT-TZMCWYRMSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171783 949782129 /nfs/dbraw/zinc/78/21/29/949782129.db2.gz SEGFLIWSLDAZMT-TZMCWYRMSA-N -1 1 382.432 0.592 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001573822182 949782086 /nfs/dbraw/zinc/78/20/86/949782086.db2.gz GGLITSNSNHLFBT-NSHDSACASA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001573822182 949782103 /nfs/dbraw/zinc/78/21/03/949782103.db2.gz GGLITSNSNHLFBT-NSHDSACASA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718592 949791592 /nfs/dbraw/zinc/79/15/92/949791592.db2.gz ZSTOGKDQZYCZQV-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718592 949791606 /nfs/dbraw/zinc/79/16/06/949791606.db2.gz ZSTOGKDQZYCZQV-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574964968 949791851 /nfs/dbraw/zinc/79/18/51/949791851.db2.gz CLUUPOIGNBEGPY-IYQDAUBNSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)CCOC1 ZINC001575560570 949793525 /nfs/dbraw/zinc/79/35/25/949793525.db2.gz SDUDLYNSUTXCAI-SJCJKPOMSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574965332 949795199 /nfs/dbraw/zinc/79/51/99/949795199.db2.gz FUEPQHCAAUMQBB-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574965332 949795214 /nfs/dbraw/zinc/79/52/14/949795214.db2.gz FUEPQHCAAUMQBB-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCCC(N)=O ZINC001573822761 949803395 /nfs/dbraw/zinc/80/33/95/949803395.db2.gz MENHALMFWOMCHU-SNVBAGLBSA-N -1 1 375.437 0.255 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCCC(N)=O ZINC001573822761 949803416 /nfs/dbraw/zinc/80/34/16/949803416.db2.gz MENHALMFWOMCHU-SNVBAGLBSA-N -1 1 375.437 0.255 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574965674 949807380 /nfs/dbraw/zinc/80/73/80/949807380.db2.gz JBYCXOVJICRUQI-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574965674 949807401 /nfs/dbraw/zinc/80/74/01/949807401.db2.gz JBYCXOVJICRUQI-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574481935 949807780 /nfs/dbraw/zinc/80/77/80/949807780.db2.gz XSDGEZNHKXHHSF-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574481935 949807800 /nfs/dbraw/zinc/80/78/00/949807800.db2.gz XSDGEZNHKXHHSF-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574965664 949808289 /nfs/dbraw/zinc/80/82/89/949808289.db2.gz ITZHRUJSXOKLIE-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574965664 949808316 /nfs/dbraw/zinc/80/83/16/949808316.db2.gz ITZHRUJSXOKLIE-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573822968 949809477 /nfs/dbraw/zinc/80/94/77/949809477.db2.gz OOFBSCQTZXEJPJ-QGHHPUGFSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573822968 949809497 /nfs/dbraw/zinc/80/94/97/949809497.db2.gz OOFBSCQTZXEJPJ-QGHHPUGFSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574965709 949810077 /nfs/dbraw/zinc/81/00/77/949810077.db2.gz JYJATVYCQUKGLI-XVMARJQXSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172559 949811147 /nfs/dbraw/zinc/81/11/47/949811147.db2.gz XDPQRQILCICEBS-ZWNOBZJWSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574965749 949813355 /nfs/dbraw/zinc/81/33/55/949813355.db2.gz LAYSYYMNWVOTHK-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574965749 949813375 /nfs/dbraw/zinc/81/33/75/949813375.db2.gz LAYSYYMNWVOTHK-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001576172872 949820572 /nfs/dbraw/zinc/82/05/72/949820572.db2.gz YWGXFDCYGGRAKN-LLVKDONJSA-N -1 1 379.446 0.189 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576172872 949820584 /nfs/dbraw/zinc/82/05/84/949820584.db2.gz YWGXFDCYGGRAKN-LLVKDONJSA-N -1 1 379.446 0.189 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883641 949824199 /nfs/dbraw/zinc/82/41/99/949824199.db2.gz RXAGUGHJAJXVNA-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883641 949824225 /nfs/dbraw/zinc/82/42/25/949824225.db2.gz RXAGUGHJAJXVNA-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575282431 949830958 /nfs/dbraw/zinc/83/09/58/949830958.db2.gz BMPHDMVHLGIIFE-VXGBXAGGSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575282431 949830984 /nfs/dbraw/zinc/83/09/84/949830984.db2.gz BMPHDMVHLGIIFE-VXGBXAGGSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575282427 949834230 /nfs/dbraw/zinc/83/42/30/949834230.db2.gz BMPHDMVHLGIIFE-NEPJUHHUSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575282427 949834248 /nfs/dbraw/zinc/83/42/48/949834248.db2.gz BMPHDMVHLGIIFE-NEPJUHHUSA-N -1 1 387.448 0.364 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573823489 949834888 /nfs/dbraw/zinc/83/48/88/949834888.db2.gz XSAYUOZPXWRSKS-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573823489 949834906 /nfs/dbraw/zinc/83/49/06/949834906.db2.gz XSAYUOZPXWRSKS-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574483960 949849780 /nfs/dbraw/zinc/84/97/80/949849780.db2.gz AONXUJZIRRPILP-OLZOCXBDSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575563931 949850306 /nfs/dbraw/zinc/85/03/06/949850306.db2.gz NDIUTNCRBGWREU-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575563931 949850322 /nfs/dbraw/zinc/85/03/22/949850322.db2.gz NDIUTNCRBGWREU-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575564088 949854530 /nfs/dbraw/zinc/85/45/30/949854530.db2.gz NVFDCLYGTRNMGS-PWGQDJSOSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574484040 949854550 /nfs/dbraw/zinc/85/45/50/949854550.db2.gz CTKRVNCRCJHXRO-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574484040 949854570 /nfs/dbraw/zinc/85/45/70/949854570.db2.gz CTKRVNCRCJHXRO-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574142188 949858242 /nfs/dbraw/zinc/85/82/42/949858242.db2.gz XALQNUBALIVDGZ-SCLBCKFNSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574142187 949858376 /nfs/dbraw/zinc/85/83/76/949858376.db2.gz XALQNUBALIVDGZ-FZKQIMNGSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@H](CNC(=O)c1c2ccccc2nn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574966916 949858729 /nfs/dbraw/zinc/85/87/29/949858729.db2.gz CPOINOPNTVYMFM-SNVBAGLBSA-N -1 1 378.400 0.774 20 0 GCADMM C[C@H](CNC(=O)c1c2ccccc2nn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574966916 949858750 /nfs/dbraw/zinc/85/87/50/949858750.db2.gz CPOINOPNTVYMFM-SNVBAGLBSA-N -1 1 378.400 0.774 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1ccnc1 ZINC001574484117 949859655 /nfs/dbraw/zinc/85/96/55/949859655.db2.gz VUHDSQOGTSHYJI-KCQAQPDRSA-N -1 1 394.443 0.542 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574966929 949861996 /nfs/dbraw/zinc/86/19/96/949861996.db2.gz CRSGSWVGPBOUFS-SNVBAGLBSA-N -1 1 382.432 0.134 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574966929 949862018 /nfs/dbraw/zinc/86/20/18/949862018.db2.gz CRSGSWVGPBOUFS-SNVBAGLBSA-N -1 1 382.432 0.134 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3nccnc3-c3nnn[n-]3)(C1)C2 ZINC001573825161 949862180 /nfs/dbraw/zinc/86/21/80/949862180.db2.gz LHCFCJIHIAMCDX-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3nccnc3-c3nn[n-]n3)(C1)C2 ZINC001573825161 949862210 /nfs/dbraw/zinc/86/22/10/949862210.db2.gz LHCFCJIHIAMCDX-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3cnc(-c4nnn[n-]4)cn3)(C1)C2 ZINC001573825187 949863126 /nfs/dbraw/zinc/86/31/26/949863126.db2.gz LZUYLMMJAQFHSZ-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3cnc(-c4nn[n-]n4)cn3)(C1)C2 ZINC001573825187 949863148 /nfs/dbraw/zinc/86/31/48/949863148.db2.gz LZUYLMMJAQFHSZ-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)C1 ZINC001573825174 949864354 /nfs/dbraw/zinc/86/43/54/949864354.db2.gz LLLSZJOZWNFJRU-FIYWTHMPSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574967584 949871455 /nfs/dbraw/zinc/87/14/55/949871455.db2.gz HZKOXBHLOAPDNS-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574967584 949871472 /nfs/dbraw/zinc/87/14/72/949871472.db2.gz HZKOXBHLOAPDNS-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178043 949874565 /nfs/dbraw/zinc/87/45/65/949874565.db2.gz AOYHQWIBIYTSMX-ZJUUUORDSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574484294 949874647 /nfs/dbraw/zinc/87/46/47/949874647.db2.gz XZGPDKBKBXEOOF-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574484294 949874670 /nfs/dbraw/zinc/87/46/70/949874670.db2.gz XZGPDKBKBXEOOF-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178014 949875920 /nfs/dbraw/zinc/87/59/20/949875920.db2.gz AMJYELFXAQJVCZ-WCQYABFASA-N -1 1 383.416 0.810 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3ccnc(-c4nn[n-]n4)n3)(C1)C2 ZINC001573825441 949877401 /nfs/dbraw/zinc/87/74/01/949877401.db2.gz VUAORSVOWDGAIV-NVWNAPEYSA-N -1 1 386.460 0.184 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576178272 949880303 /nfs/dbraw/zinc/88/03/03/949880303.db2.gz HEALVFVBIAUDQJ-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576178272 949880324 /nfs/dbraw/zinc/88/03/24/949880324.db2.gz HEALVFVBIAUDQJ-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575886578 949889429 /nfs/dbraw/zinc/88/94/29/949889429.db2.gz MYPXCADDFVEIGM-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178551 949890976 /nfs/dbraw/zinc/89/09/76/949890976.db2.gz CDWKKNWCNJFALV-RYUDHWBXSA-N -1 1 383.416 0.810 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178544 949891660 /nfs/dbraw/zinc/89/16/60/949891660.db2.gz CDWKKNWCNJFALV-NEPJUHHUSA-N -1 1 383.416 0.810 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178804 949895248 /nfs/dbraw/zinc/89/52/48/949895248.db2.gz CVJCNQIDKTVHLV-MWLCHTKSSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178804 949895271 /nfs/dbraw/zinc/89/52/71/949895271.db2.gz CVJCNQIDKTVHLV-MWLCHTKSSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284241 949903087 /nfs/dbraw/zinc/90/30/87/949903087.db2.gz SUKNHIQSVGYDHN-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284241 949903108 /nfs/dbraw/zinc/90/31/08/949903108.db2.gz SUKNHIQSVGYDHN-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179098 949906984 /nfs/dbraw/zinc/90/69/84/949906984.db2.gz DOCIBFIGMQYVED-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179098 949906997 /nfs/dbraw/zinc/90/69/97/949906997.db2.gz DOCIBFIGMQYVED-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574484932 949911789 /nfs/dbraw/zinc/91/17/89/949911789.db2.gz RYPHMJOYNBYOMT-KGLIPLIRSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179558 949916245 /nfs/dbraw/zinc/91/62/45/949916245.db2.gz AVSUKOQLJLDUMT-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179558 949916266 /nfs/dbraw/zinc/91/62/66/949916266.db2.gz AVSUKOQLJLDUMT-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179550 949919889 /nfs/dbraw/zinc/91/98/89/949919889.db2.gz AVSUKOQLJLDUMT-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179550 949919919 /nfs/dbraw/zinc/91/99/19/949919919.db2.gz AVSUKOQLJLDUMT-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574485220 949920499 /nfs/dbraw/zinc/92/04/99/949920499.db2.gz VIGRYFNYMNJSDE-KBPBESRZSA-N -1 1 381.444 0.934 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@H]2O)CC1 ZINC001575569782 949930366 /nfs/dbraw/zinc/93/03/66/949930366.db2.gz NWAPUFYWVREITG-SFYZADRCSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180019 949932390 /nfs/dbraw/zinc/93/23/90/949932390.db2.gz GRBJVWFLQOBZII-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180019 949932409 /nfs/dbraw/zinc/93/24/09/949932409.db2.gz GRBJVWFLQOBZII-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180024 949933140 /nfs/dbraw/zinc/93/31/40/949933140.db2.gz GRBJVWFLQOBZII-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180024 949933151 /nfs/dbraw/zinc/93/31/51/949933151.db2.gz GRBJVWFLQOBZII-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726326 949934784 /nfs/dbraw/zinc/93/47/84/949934784.db2.gz ZDCMCVSPIWJEEC-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726326 949934798 /nfs/dbraw/zinc/93/47/98/949934798.db2.gz ZDCMCVSPIWJEEC-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001574487694 949934903 /nfs/dbraw/zinc/93/49/03/949934903.db2.gz BDOIPMJPUZMXDD-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001574487694 949934924 /nfs/dbraw/zinc/93/49/24/949934924.db2.gz BDOIPMJPUZMXDD-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180386 949950492 /nfs/dbraw/zinc/95/04/92/949950492.db2.gz HMKJFAUERTVJOU-MFKMUULPSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180386 949950513 /nfs/dbraw/zinc/95/05/13/949950513.db2.gz HMKJFAUERTVJOU-MFKMUULPSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575890397 949951829 /nfs/dbraw/zinc/95/18/29/949951829.db2.gz XGKPTCVKSKMDDV-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575890397 949951844 /nfs/dbraw/zinc/95/18/44/949951844.db2.gz XGKPTCVKSKMDDV-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574727114 949953697 /nfs/dbraw/zinc/95/36/97/949953697.db2.gz PIZIURXHNCAWGU-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574727114 949953713 /nfs/dbraw/zinc/95/37/13/949953713.db2.gz PIZIURXHNCAWGU-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574488947 949958823 /nfs/dbraw/zinc/95/88/23/949958823.db2.gz HLEBZCMSJUTGJT-AGIUHOORSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180557 949959701 /nfs/dbraw/zinc/95/97/01/949959701.db2.gz FDAFUCACPAIZPZ-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180557 949959718 /nfs/dbraw/zinc/95/97/18/949959718.db2.gz FDAFUCACPAIZPZ-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574488948 949959954 /nfs/dbraw/zinc/95/99/54/949959954.db2.gz HLEBZCMSJUTGJT-AVGNSLFASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1ccnc1 ZINC001574489631 949962189 /nfs/dbraw/zinc/96/21/89/949962189.db2.gz JYJBJVCOGNMIQD-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574489631 949962200 /nfs/dbraw/zinc/96/22/00/949962200.db2.gz JYJBJVCOGNMIQD-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576180625 949963565 /nfs/dbraw/zinc/96/35/65/949963565.db2.gz PHHCGSQYGNURMQ-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576180625 949963580 /nfs/dbraw/zinc/96/35/80/949963580.db2.gz PHHCGSQYGNURMQ-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574489345 949964963 /nfs/dbraw/zinc/96/49/63/949964963.db2.gz IVKPYCJTZQGQFX-WPRPVWTQSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727435 949966558 /nfs/dbraw/zinc/96/65/58/949966558.db2.gz SRYPSRQIXVKFMH-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727435 949966573 /nfs/dbraw/zinc/96/65/73/949966573.db2.gz SRYPSRQIXVKFMH-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576180673 949970646 /nfs/dbraw/zinc/97/06/46/949970646.db2.gz QDJZZRAZSCRISW-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576180673 949970666 /nfs/dbraw/zinc/97/06/66/949970666.db2.gz QDJZZRAZSCRISW-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001573830633 949976346 /nfs/dbraw/zinc/97/63/46/949976346.db2.gz MRPYYWUAGIOEQP-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891038 949977653 /nfs/dbraw/zinc/97/76/53/949977653.db2.gz DIZJVFSLPAVEIK-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891038 949977662 /nfs/dbraw/zinc/97/76/62/949977662.db2.gz DIZJVFSLPAVEIK-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM CC1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575572606 949980399 /nfs/dbraw/zinc/98/03/99/949980399.db2.gz HGIRSRUJQWRJRI-SNVBAGLBSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180930 949982080 /nfs/dbraw/zinc/98/20/80/949982080.db2.gz GBULJVXQXIUHOD-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180930 949982092 /nfs/dbraw/zinc/98/20/92/949982092.db2.gz GBULJVXQXIUHOD-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574490231 949984280 /nfs/dbraw/zinc/98/42/80/949984280.db2.gz PGMOZRDODQGRCT-IHRRRGAJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574490231 949984299 /nfs/dbraw/zinc/98/42/99/949984299.db2.gz PGMOZRDODQGRCT-IHRRRGAJSA-N -1 1 379.428 0.899 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575572980 949989086 /nfs/dbraw/zinc/98/90/86/949989086.db2.gz KASONOQYTSNORJ-FZKQIMNGSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575572980 949989106 /nfs/dbraw/zinc/98/91/06/949989106.db2.gz KASONOQYTSNORJ-FZKQIMNGSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575573299 949994812 /nfs/dbraw/zinc/99/48/12/949994812.db2.gz LNLPXZNRSNZVTI-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575573299 949994830 /nfs/dbraw/zinc/99/48/30/949994830.db2.gz LNLPXZNRSNZVTI-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC(=O)C1 ZINC001575573544 949997514 /nfs/dbraw/zinc/99/75/14/949997514.db2.gz MVJYRNIUDMZSMZ-MRXNPFEDSA-N -1 1 375.458 0.145 20 0 GCADMM C[C@@H](NC(=O)Cc1ccc[nH]1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575289842 950003467 /nfs/dbraw/zinc/00/34/67/950003467.db2.gz CILDMMTUIBGMML-OLZOCXBDSA-N -1 1 381.444 0.949 20 0 GCADMM C[C@@H](NC(=O)Cc1ccc[nH]1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575289842 950003489 /nfs/dbraw/zinc/00/34/89/950003489.db2.gz CILDMMTUIBGMML-OLZOCXBDSA-N -1 1 381.444 0.949 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574490509 950004695 /nfs/dbraw/zinc/00/46/95/950004695.db2.gz TXRAZVQTIRBBHW-FRRDWIJNSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574490509 950004720 /nfs/dbraw/zinc/00/47/20/950004720.db2.gz TXRAZVQTIRBBHW-FRRDWIJNSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181458 950006389 /nfs/dbraw/zinc/00/63/89/950006389.db2.gz UPZKOPKEDYWUMY-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181458 950006412 /nfs/dbraw/zinc/00/64/12/950006412.db2.gz UPZKOPKEDYWUMY-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574729074 950017448 /nfs/dbraw/zinc/01/74/48/950017448.db2.gz NDJGKZUOYUHSFG-SNVBAGLBSA-N -1 1 388.382 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181780 950017494 /nfs/dbraw/zinc/01/74/94/950017494.db2.gz JORFWGQKGTYHKA-JSGCOSHPSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181780 950017516 /nfs/dbraw/zinc/01/75/16/950017516.db2.gz JORFWGQKGTYHKA-JSGCOSHPSA-N -1 1 384.444 0.900 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574729553 950021926 /nfs/dbraw/zinc/02/19/26/950021926.db2.gz OGNCOOHTRUZUGY-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574729553 950021949 /nfs/dbraw/zinc/02/19/49/950021949.db2.gz OGNCOOHTRUZUGY-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181869 950023943 /nfs/dbraw/zinc/02/39/43/950023943.db2.gz NAHJABJIJIFDLC-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181869 950023962 /nfs/dbraw/zinc/02/39/62/950023962.db2.gz NAHJABJIJIFDLC-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001574491284 950030396 /nfs/dbraw/zinc/03/03/96/950030396.db2.gz BYAXDJMFTWFMAA-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574491284 950030419 /nfs/dbraw/zinc/03/04/19/950030419.db2.gz BYAXDJMFTWFMAA-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574491376 950036951 /nfs/dbraw/zinc/03/69/51/950036951.db2.gz CDMSLFMTPLXZAG-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574491376 950036974 /nfs/dbraw/zinc/03/69/74/950036974.db2.gz CDMSLFMTPLXZAG-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574491612 950038078 /nfs/dbraw/zinc/03/80/78/950038078.db2.gz DXMWAMKWCFLYQW-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492015 950056840 /nfs/dbraw/zinc/05/68/40/950056840.db2.gz IGUVUCUVLJRNDX-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492016 950058512 /nfs/dbraw/zinc/05/85/12/950058512.db2.gz IGUVUCUVLJRNDX-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574492155 950065821 /nfs/dbraw/zinc/06/58/21/950065821.db2.gz JYJAPGSRQWMROD-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492155 950065839 /nfs/dbraw/zinc/06/58/39/950065839.db2.gz JYJAPGSRQWMROD-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892513 950071034 /nfs/dbraw/zinc/07/10/34/950071034.db2.gz XDUJWLCUGFACSK-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892513 950071059 /nfs/dbraw/zinc/07/10/59/950071059.db2.gz XDUJWLCUGFACSK-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182938 950072927 /nfs/dbraw/zinc/07/29/27/950072927.db2.gz QAJSUFIXKFKMNG-ONGXEEELSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182938 950072944 /nfs/dbraw/zinc/07/29/44/950072944.db2.gz QAJSUFIXKFKMNG-ONGXEEELSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183079 950076774 /nfs/dbraw/zinc/07/67/74/950076774.db2.gz QSXVWNXWSRFRLD-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183079 950076793 /nfs/dbraw/zinc/07/67/93/950076793.db2.gz QSXVWNXWSRFRLD-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001574492509 950085802 /nfs/dbraw/zinc/08/58/02/950085802.db2.gz NPBDGESANMMNRS-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001574492509 950085827 /nfs/dbraw/zinc/08/58/27/950085827.db2.gz NPBDGESANMMNRS-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574732991 950087127 /nfs/dbraw/zinc/08/71/27/950087127.db2.gz OTWGGULUYFYOJV-ZCFIWIBFSA-N -1 1 382.841 0.596 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574492581 950092632 /nfs/dbraw/zinc/09/26/32/950092632.db2.gz BMUJLXCRESGKIV-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574492581 950092656 /nfs/dbraw/zinc/09/26/56/950092656.db2.gz BMUJLXCRESGKIV-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574492582 950094204 /nfs/dbraw/zinc/09/42/04/950094204.db2.gz BMUJLXCRESGKIV-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574492582 950094223 /nfs/dbraw/zinc/09/42/23/950094223.db2.gz BMUJLXCRESGKIV-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001574492632 950097520 /nfs/dbraw/zinc/09/75/20/950097520.db2.gz CETUGMZZUVULNJ-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001574492632 950097545 /nfs/dbraw/zinc/09/75/45/950097545.db2.gz CETUGMZZUVULNJ-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM CC1(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575582082 950099022 /nfs/dbraw/zinc/09/90/22/950099022.db2.gz DNZBGCZILFXAGM-UHFFFAOYSA-N -1 1 392.485 0.408 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733222 950101915 /nfs/dbraw/zinc/10/19/15/950101915.db2.gz WBEPYNYQXHJMCF-AAEUAGOBSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733222 950101919 /nfs/dbraw/zinc/10/19/19/950101919.db2.gz WBEPYNYQXHJMCF-AAEUAGOBSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573837374 950106437 /nfs/dbraw/zinc/10/64/37/950106437.db2.gz YRKLBPJCTKDBLL-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573837374 950106448 /nfs/dbraw/zinc/10/64/48/950106448.db2.gz YRKLBPJCTKDBLL-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575582219 950108140 /nfs/dbraw/zinc/10/81/40/950108140.db2.gz BTPDMJGBCJLERF-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575582219 950108152 /nfs/dbraw/zinc/10/81/52/950108152.db2.gz BTPDMJGBCJLERF-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184096 950114931 /nfs/dbraw/zinc/11/49/31/950114931.db2.gz TWLJLHABOXXNME-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184096 950114966 /nfs/dbraw/zinc/11/49/66/950114966.db2.gz TWLJLHABOXXNME-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493253 950121523 /nfs/dbraw/zinc/12/15/23/950121523.db2.gz RIJOGMVDFUWXJF-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493253 950121540 /nfs/dbraw/zinc/12/15/40/950121540.db2.gz RIJOGMVDFUWXJF-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CCOCC1 ZINC001575582756 950124529 /nfs/dbraw/zinc/12/45/29/950124529.db2.gz GPSBOYIYGZEDBK-XYYAHUGASA-N -1 1 384.444 0.272 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CCOCC1 ZINC001575582756 950124540 /nfs/dbraw/zinc/12/45/40/950124540.db2.gz GPSBOYIYGZEDBK-XYYAHUGASA-N -1 1 384.444 0.272 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734436 950133429 /nfs/dbraw/zinc/13/34/29/950133429.db2.gz MSAZWFRHXASMGG-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734436 950133445 /nfs/dbraw/zinc/13/34/45/950133445.db2.gz MSAZWFRHXASMGG-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184678 950139354 /nfs/dbraw/zinc/13/93/54/950139354.db2.gz WYFPYZJNXLHOCO-GXTWGEPZSA-N -1 1 386.460 0.402 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575583063 950139514 /nfs/dbraw/zinc/13/95/14/950139514.db2.gz JTODFYBPEAQGLP-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575583063 950139530 /nfs/dbraw/zinc/13/95/30/950139530.db2.gz JTODFYBPEAQGLP-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734730 950142320 /nfs/dbraw/zinc/14/23/20/950142320.db2.gz PDUHVFFAOXIOJO-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734730 950142332 /nfs/dbraw/zinc/14/23/32/950142332.db2.gz PDUHVFFAOXIOJO-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184703 950142256 /nfs/dbraw/zinc/14/22/56/950142256.db2.gz WZYIZNFWBCICFE-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184703 950142272 /nfs/dbraw/zinc/14/22/72/950142272.db2.gz WZYIZNFWBCICFE-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575583259 950142711 /nfs/dbraw/zinc/14/27/11/950142711.db2.gz KUIVREOYGHZQHR-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734813 950145030 /nfs/dbraw/zinc/14/50/30/950145030.db2.gz RTXQHJNJZNDYHK-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734813 950145048 /nfs/dbraw/zinc/14/50/48/950145048.db2.gz RTXQHJNJZNDYHK-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574493992 950145669 /nfs/dbraw/zinc/14/56/69/950145669.db2.gz WGLZSQBPARECFA-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574493992 950145687 /nfs/dbraw/zinc/14/56/87/950145687.db2.gz WGLZSQBPARECFA-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[N@@H+](CCC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000262658845 950149266 /nfs/dbraw/zinc/14/92/66/950149266.db2.gz NBLMGJLCGRQGCF-UHFFFAOYSA-N -1 1 387.433 0.065 20 0 GCADMM CN(CCC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000262658845 950149279 /nfs/dbraw/zinc/14/92/79/950149279.db2.gz NBLMGJLCGRQGCF-UHFFFAOYSA-N -1 1 387.433 0.065 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001574494028 950150409 /nfs/dbraw/zinc/15/04/09/950150409.db2.gz WULRCLLMOCJGAA-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001574494028 950150438 /nfs/dbraw/zinc/15/04/38/950150438.db2.gz WULRCLLMOCJGAA-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734918 950150797 /nfs/dbraw/zinc/15/07/97/950150797.db2.gz VBBMMIPDQPFDAY-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001574494029 950151771 /nfs/dbraw/zinc/15/17/71/950151771.db2.gz WULRCLLMOCJGAA-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001574494029 950151813 /nfs/dbraw/zinc/15/18/13/950151813.db2.gz WULRCLLMOCJGAA-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734965 950154303 /nfs/dbraw/zinc/15/43/03/950154303.db2.gz WAETYBGHISANFD-FPMFFAJLSA-N -1 1 386.460 0.400 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001575583869 950157556 /nfs/dbraw/zinc/15/75/56/950157556.db2.gz VIRYAIBYYUIKPU-GOSISDBHSA-N -1 1 386.460 0.685 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001575583869 950157572 /nfs/dbraw/zinc/15/75/72/950157572.db2.gz VIRYAIBYYUIKPU-GOSISDBHSA-N -1 1 386.460 0.685 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899049 950165562 /nfs/dbraw/zinc/16/55/62/950165562.db2.gz VOFRBVICEZSWIM-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899049 950165573 /nfs/dbraw/zinc/16/55/73/950165573.db2.gz VOFRBVICEZSWIM-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCOCC2)CCOC1 ZINC001575584645 950174118 /nfs/dbraw/zinc/17/41/18/950174118.db2.gz ZNNXWKCQIWIXMV-MRXNPFEDSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCOCC2)CCOC1 ZINC001575584645 950174127 /nfs/dbraw/zinc/17/41/27/950174127.db2.gz ZNNXWKCQIWIXMV-MRXNPFEDSA-N -1 1 388.432 0.161 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001574155060 950181675 /nfs/dbraw/zinc/18/16/75/950181675.db2.gz JCOUFOMBOONWFO-CYBMUJFWSA-N -1 1 384.448 0.377 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574494801 950182468 /nfs/dbraw/zinc/18/24/68/950182468.db2.gz OOVCDBHFXMFBJX-RYUDHWBXSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574494801 950182488 /nfs/dbraw/zinc/18/24/88/950182488.db2.gz OOVCDBHFXMFBJX-RYUDHWBXSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191081 950183997 /nfs/dbraw/zinc/18/39/97/950183997.db2.gz DLWCJIAHSZDRLM-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191081 950184018 /nfs/dbraw/zinc/18/40/18/950184018.db2.gz DLWCJIAHSZDRLM-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191082 950184789 /nfs/dbraw/zinc/18/47/89/950184789.db2.gz DLWCJIAHSZDRLM-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191082 950184799 /nfs/dbraw/zinc/18/47/99/950184799.db2.gz DLWCJIAHSZDRLM-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(Br)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574982959 950192009 /nfs/dbraw/zinc/19/20/09/950192009.db2.gz IQECYNGQMQWVJX-SSDOTTSWSA-N -1 1 392.221 0.400 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191370 950192573 /nfs/dbraw/zinc/19/25/73/950192573.db2.gz FPUSLULUDYCPCD-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191370 950192587 /nfs/dbraw/zinc/19/25/87/950192587.db2.gz FPUSLULUDYCPCD-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191356 950194145 /nfs/dbraw/zinc/19/41/45/950194145.db2.gz FOFQDDJOYVLIAV-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191356 950194155 /nfs/dbraw/zinc/19/41/55/950194155.db2.gz FOFQDDJOYVLIAV-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191390 950197708 /nfs/dbraw/zinc/19/77/08/950197708.db2.gz FSVFHWHKFXSFSE-YPMHNXCESA-N -1 1 380.416 0.079 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191566 950199538 /nfs/dbraw/zinc/19/95/38/950199538.db2.gz GWRVMGCHZGEEQI-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191566 950199550 /nfs/dbraw/zinc/19/95/50/950199550.db2.gz GWRVMGCHZGEEQI-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191563 950199942 /nfs/dbraw/zinc/19/99/42/950199942.db2.gz GWRVMGCHZGEEQI-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191563 950199950 /nfs/dbraw/zinc/19/99/50/950199950.db2.gz GWRVMGCHZGEEQI-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574495367 950200390 /nfs/dbraw/zinc/20/03/90/950200390.db2.gz SNBFFQLZKFXQAN-WCQYABFASA-N -1 1 382.432 0.233 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001574155696 950205340 /nfs/dbraw/zinc/20/53/40/950205340.db2.gz QJLYVSUXXBKCBE-UONOGXRCSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574495677 950205852 /nfs/dbraw/zinc/20/58/52/950205852.db2.gz UNRZKDJEWYCMHK-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574495677 950205869 /nfs/dbraw/zinc/20/58/69/950205869.db2.gz UNRZKDJEWYCMHK-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575900693 950206278 /nfs/dbraw/zinc/20/62/78/950206278.db2.gz HLYZKYKWEOFQDV-ONGXEEELSA-N -1 1 382.384 0.328 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574155695 950206579 /nfs/dbraw/zinc/20/65/79/950206579.db2.gz QJLYVSUXXBKCBE-KGLIPLIRSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191795 950208669 /nfs/dbraw/zinc/20/86/69/950208669.db2.gz IJAGWQRRIWETKT-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191795 950208682 /nfs/dbraw/zinc/20/86/82/950208682.db2.gz IJAGWQRRIWETKT-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901016 950209837 /nfs/dbraw/zinc/20/98/37/950209837.db2.gz JXOFXIJWWVHZNH-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nn[nH]n1 ZINC001575901016 950209847 /nfs/dbraw/zinc/20/98/47/950209847.db2.gz JXOFXIJWWVHZNH-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901159 950220268 /nfs/dbraw/zinc/22/02/68/950220268.db2.gz LTTVXYZFRFPHQY-KOLCDFICSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192035 950223281 /nfs/dbraw/zinc/22/32/81/950223281.db2.gz JMUJHNQFTWZVID-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192035 950223301 /nfs/dbraw/zinc/22/33/01/950223301.db2.gz JMUJHNQFTWZVID-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574156163 950225514 /nfs/dbraw/zinc/22/55/14/950225514.db2.gz XXDJDRQMODFQOG-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574156163 950225536 /nfs/dbraw/zinc/22/55/36/950225536.db2.gz XXDJDRQMODFQOG-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901268 950230666 /nfs/dbraw/zinc/23/06/66/950230666.db2.gz MVXYFHAGNZMGPF-IUCAKERBSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901268 950230683 /nfs/dbraw/zinc/23/06/83/950230683.db2.gz MVXYFHAGNZMGPF-IUCAKERBSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901269 950231234 /nfs/dbraw/zinc/23/12/34/950231234.db2.gz MVXYFHAGNZMGPF-RKDXNWHRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901269 950231249 /nfs/dbraw/zinc/23/12/49/950231249.db2.gz MVXYFHAGNZMGPF-RKDXNWHRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192403 950242139 /nfs/dbraw/zinc/24/21/39/950242139.db2.gz MNRDLDCSELEAEG-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192403 950242160 /nfs/dbraw/zinc/24/21/60/950242160.db2.gz MNRDLDCSELEAEG-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192407 950243822 /nfs/dbraw/zinc/24/38/22/950243822.db2.gz MNRDLDCSELEAEG-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192407 950243840 /nfs/dbraw/zinc/24/38/40/950243840.db2.gz MNRDLDCSELEAEG-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001574497789 950244033 /nfs/dbraw/zinc/24/40/33/950244033.db2.gz DCXKOCOCYGXZST-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001574497789 950244050 /nfs/dbraw/zinc/24/40/50/950244050.db2.gz DCXKOCOCYGXZST-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574157707 950249881 /nfs/dbraw/zinc/24/98/81/950249881.db2.gz HCUJCJOLTSJPIK-DCAQKATOSA-N -1 1 380.403 0.923 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574157693 950250142 /nfs/dbraw/zinc/25/01/42/950250142.db2.gz GRXMGOGZLRQSBZ-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574157693 950250162 /nfs/dbraw/zinc/25/01/62/950250162.db2.gz GRXMGOGZLRQSBZ-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902231 950252441 /nfs/dbraw/zinc/25/24/41/950252441.db2.gz TWFUDIIMYBSOTF-IUCAKERBSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902232 950252491 /nfs/dbraw/zinc/25/24/91/950252491.db2.gz TWFUDIIMYBSOTF-RKDXNWHRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192590 950258501 /nfs/dbraw/zinc/25/85/01/950258501.db2.gz NTZWLOHANYYYQU-RYUDHWBXSA-N -1 1 382.432 0.022 20 0 GCADMM CC(C)(C)OC(=O)COCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001573849880 950263876 /nfs/dbraw/zinc/26/38/76/950263876.db2.gz DUWRTPNWNNOGLV-UHFFFAOYSA-N -1 1 390.400 0.631 20 0 GCADMM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001573850065 950266176 /nfs/dbraw/zinc/26/61/76/950266176.db2.gz FITCWDHRCWGMOI-UHFFFAOYSA-N -1 1 382.446 0.830 20 0 GCADMM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001573850065 950266189 /nfs/dbraw/zinc/26/61/89/950266189.db2.gz FITCWDHRCWGMOI-UHFFFAOYSA-N -1 1 382.446 0.830 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192897 950272770 /nfs/dbraw/zinc/27/27/70/950272770.db2.gz RFIDKUXNQDSVBS-OLZOCXBDSA-N -1 1 379.428 0.684 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001573850545 950273292 /nfs/dbraw/zinc/27/32/92/950273292.db2.gz KPWAJUILCUCHRA-SNVBAGLBSA-N -1 1 386.416 0.779 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192837 950273301 /nfs/dbraw/zinc/27/33/01/950273301.db2.gz PUWXPFCNQHDXDR-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192837 950273317 /nfs/dbraw/zinc/27/33/17/950273317.db2.gz PUWXPFCNQHDXDR-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1=O ZINC001573851102 950282261 /nfs/dbraw/zinc/28/22/61/950282261.db2.gz RFDIOGBFRHAZKO-GFCCVEGCSA-N -1 1 388.432 0.791 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1=O ZINC001573851102 950282265 /nfs/dbraw/zinc/28/22/65/950282265.db2.gz RFDIOGBFRHAZKO-GFCCVEGCSA-N -1 1 388.432 0.791 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193121 950285159 /nfs/dbraw/zinc/28/51/59/950285159.db2.gz 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384.448 0.672 20 0 GCADMM C[C@]1(C(=O)NCCNc2ccnc(-c3nn[n-]n3)n2)CCCc2ccccc21 ZINC001575595288 950353579 /nfs/dbraw/zinc/35/35/79/950353579.db2.gz YVOGKFDQQQNDEU-IBGZPJMESA-N -1 1 378.440 0.901 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574744937 950367030 /nfs/dbraw/zinc/36/70/30/950367030.db2.gz CHUYEUAYAQMUOH-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574744937 950367041 /nfs/dbraw/zinc/36/70/41/950367041.db2.gz CHUYEUAYAQMUOH-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574744815 950368930 /nfs/dbraw/zinc/36/89/30/950368930.db2.gz BUPBQIVPVNRMJT-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574744815 950368953 /nfs/dbraw/zinc/36/89/53/950368953.db2.gz BUPBQIVPVNRMJT-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574744938 950370010 /nfs/dbraw/zinc/37/00/10/950370010.db2.gz CHUYEUAYAQMUOH-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574744938 950370025 /nfs/dbraw/zinc/37/00/25/950370025.db2.gz CHUYEUAYAQMUOH-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574162056 950374150 /nfs/dbraw/zinc/37/41/50/950374150.db2.gz YMFQHHOYUYDPFA-JTQLQIEISA-N -1 1 386.420 0.352 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574745027 950374605 /nfs/dbraw/zinc/37/46/05/950374605.db2.gz FHDGRVNYOMMVOD-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574745027 950374626 /nfs/dbraw/zinc/37/46/26/950374626.db2.gz FHDGRVNYOMMVOD-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573855507 950380881 /nfs/dbraw/zinc/38/08/81/950380881.db2.gz WKEHOVXEEAASBC-UNJBNNCHSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573855507 950380904 /nfs/dbraw/zinc/38/09/04/950380904.db2.gz WKEHOVXEEAASBC-UNJBNNCHSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574746250 950390802 /nfs/dbraw/zinc/39/08/02/950390802.db2.gz NAWNQOIQEODBOY-NSHDSACASA-N -1 1 384.448 0.508 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574502861 950398063 /nfs/dbraw/zinc/39/80/63/950398063.db2.gz RFXHSDVCVHVYRB-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574502861 950398078 /nfs/dbraw/zinc/39/80/78/950398078.db2.gz RFXHSDVCVHVYRB-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574747660 950414282 /nfs/dbraw/zinc/41/42/82/950414282.db2.gz VBSUREKKKZMRLW-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574747660 950414293 /nfs/dbraw/zinc/41/42/93/950414293.db2.gz VBSUREKKKZMRLW-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001574163215 950417573 /nfs/dbraw/zinc/41/75/73/950417573.db2.gz RDIIGOPIFMDROJ-NWDGAFQWSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001574163215 950417594 /nfs/dbraw/zinc/41/75/94/950417594.db2.gz RDIIGOPIFMDROJ-NWDGAFQWSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cncn1C ZINC001574163556 950427316 /nfs/dbraw/zinc/42/73/16/950427316.db2.gz VYJFJLWFDUNYKM-GFCCVEGCSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cncn1C ZINC001574163556 950427327 /nfs/dbraw/zinc/42/73/27/950427327.db2.gz VYJFJLWFDUNYKM-GFCCVEGCSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574163765 950430484 /nfs/dbraw/zinc/43/04/84/950430484.db2.gz XSNYOOZJLGYLGK-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574163765 950430490 /nfs/dbraw/zinc/43/04/90/950430490.db2.gz XSNYOOZJLGYLGK-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)CC(N)=O ZINC001574163580 950430717 /nfs/dbraw/zinc/43/07/17/950430717.db2.gz WJYIMPTUBQHBRG-MNOVXSKESA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)CC(N)=O ZINC001574163580 950430734 /nfs/dbraw/zinc/43/07/34/950430734.db2.gz WJYIMPTUBQHBRG-MNOVXSKESA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)n1cncn1 ZINC001574163603 950431770 /nfs/dbraw/zinc/43/17/70/950431770.db2.gz WSYOCLKKMKHESJ-NEPJUHHUSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)n1cncn1 ZINC001574163603 950431787 /nfs/dbraw/zinc/43/17/87/950431787.db2.gz WSYOCLKKMKHESJ-NEPJUHHUSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001573860943 950432545 /nfs/dbraw/zinc/43/25/45/950432545.db2.gz NQTVLDDNPWECJY-QGZVFWFLSA-N -1 1 392.416 0.952 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573860943 950432558 /nfs/dbraw/zinc/43/25/58/950432558.db2.gz NQTVLDDNPWECJY-QGZVFWFLSA-N -1 1 392.416 0.952 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001573860985 950432943 /nfs/dbraw/zinc/43/29/43/950432943.db2.gz NUXMPMJKWBGMKF-SNVBAGLBSA-N -1 1 378.389 0.787 20 0 GCADMM CC1(C(=O)NCc2nc(CNc3cnc(-c4nn[n-]n4)cn3)cc(=O)[nH]2)CC1 ZINC001575599516 950433449 /nfs/dbraw/zinc/43/34/49/950433449.db2.gz LIPWEPMDNAMIAG-UHFFFAOYSA-N -1 1 382.388 0.181 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575911447 950443810 /nfs/dbraw/zinc/44/38/10/950443810.db2.gz DPWXXIIIEWQKSO-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575911447 950443822 /nfs/dbraw/zinc/44/38/22/950443822.db2.gz DPWXXIIIEWQKSO-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001573861334 950445802 /nfs/dbraw/zinc/44/58/02/950445802.db2.gz YVZPKYSCNPJPCA-UHFFFAOYSA-N -1 1 392.416 0.952 20 0 GCADMM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001573861334 950445813 /nfs/dbraw/zinc/44/58/13/950445813.db2.gz YVZPKYSCNPJPCA-UHFFFAOYSA-N -1 1 392.416 0.952 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)CCC1 ZINC001574165570 950449340 /nfs/dbraw/zinc/44/93/40/950449340.db2.gz HYYMHGWNIYIODU-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574750977 950449191 /nfs/dbraw/zinc/44/91/91/950449191.db2.gz JSBDCONUKDGGMS-NSHDSACASA-N -1 1 382.432 0.184 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2ncccc2o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751429 950457490 /nfs/dbraw/zinc/45/74/90/950457490.db2.gz NHUXVSNJIYZGPW-JTQLQIEISA-N -1 1 379.384 0.792 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751271 950457701 /nfs/dbraw/zinc/45/77/01/950457701.db2.gz MQWDXKPJJPTPKW-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751271 950457713 /nfs/dbraw/zinc/45/77/13/950457713.db2.gz MQWDXKPJJPTPKW-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573861915 950458063 /nfs/dbraw/zinc/45/80/63/950458063.db2.gz KSPRVONPQSGDON-YPMHNXCESA-N -1 1 389.416 0.560 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573861915 950458074 /nfs/dbraw/zinc/45/80/74/950458074.db2.gz KSPRVONPQSGDON-YPMHNXCESA-N -1 1 389.416 0.560 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cncn1C ZINC001575912575 950465725 /nfs/dbraw/zinc/46/57/25/950465725.db2.gz HHCKWNNXAJROPM-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccnn1C ZINC001575912551 950465949 /nfs/dbraw/zinc/46/59/49/950465949.db2.gz HBCXWTDLQSIATL-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccnn1C ZINC001575912551 950465956 /nfs/dbraw/zinc/46/59/56/950465956.db2.gz HBCXWTDLQSIATL-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574508004 950467425 /nfs/dbraw/zinc/46/74/25/950467425.db2.gz LIOMZQMNMUIKSI-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574508004 950467434 /nfs/dbraw/zinc/46/74/34/950467434.db2.gz LIOMZQMNMUIKSI-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1nccnc1-c1nnn[n-]1 ZINC001574752147 950475033 /nfs/dbraw/zinc/47/50/33/950475033.db2.gz UKYZUHPMIBSBRD-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1nccnc1-c1nn[n-]n1 ZINC001574752147 950475042 /nfs/dbraw/zinc/47/50/42/950475042.db2.gz UKYZUHPMIBSBRD-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575913123 950475905 /nfs/dbraw/zinc/47/59/05/950475905.db2.gz IRULSRXOMROYTQ-VXGBXAGGSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575913123 950475918 /nfs/dbraw/zinc/47/59/18/950475918.db2.gz IRULSRXOMROYTQ-VXGBXAGGSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752347 950483243 /nfs/dbraw/zinc/48/32/43/950483243.db2.gz BDQQTSITZKGLIK-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752347 950483258 /nfs/dbraw/zinc/48/32/58/950483258.db2.gz BDQQTSITZKGLIK-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[C@H](C)NC(N)=O ZINC001574508966 950490679 /nfs/dbraw/zinc/49/06/79/950490679.db2.gz RMILLZLWTCDAJS-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[C@H](C)NC(N)=O ZINC001574508966 950490689 /nfs/dbraw/zinc/49/06/89/950490689.db2.gz RMILLZLWTCDAJS-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574509233 950498431 /nfs/dbraw/zinc/49/84/31/950498431.db2.gz TZIMRYQUFYWIHV-AVGNSLFASA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Br)c[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574994877 950498761 /nfs/dbraw/zinc/49/87/61/950498761.db2.gz AWOZDLCIKQTWSC-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Br)c[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574994877 950498766 /nfs/dbraw/zinc/49/87/66/950498766.db2.gz AWOZDLCIKQTWSC-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573866480 950502466 /nfs/dbraw/zinc/50/24/66/950502466.db2.gz DRJYTXMWENOSHB-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573866480 950502482 /nfs/dbraw/zinc/50/24/82/950502482.db2.gz DRJYTXMWENOSHB-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1nccnc1-c1nnn[n-]1 ZINC001574995328 950505691 /nfs/dbraw/zinc/50/56/91/950505691.db2.gz DWHMBRWEZYXNTH-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1nccnc1-c1nn[n-]n1 ZINC001574995328 950505704 /nfs/dbraw/zinc/50/57/04/950505704.db2.gz DWHMBRWEZYXNTH-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc2nncn2c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753158 950507068 /nfs/dbraw/zinc/50/70/68/950507068.db2.gz IZQHFOCPYQLOPH-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc2nncn2c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753158 950507085 /nfs/dbraw/zinc/50/70/85/950507085.db2.gz IZQHFOCPYQLOPH-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574995991 950521056 /nfs/dbraw/zinc/52/10/56/950521056.db2.gz JFRLHQFOIPFEEB-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574996010 950522475 /nfs/dbraw/zinc/52/24/75/950522475.db2.gz JOLOJPQLBAMMQQ-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574996010 950522490 /nfs/dbraw/zinc/52/24/90/950522490.db2.gz JOLOJPQLBAMMQQ-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573867170 950525205 /nfs/dbraw/zinc/52/52/05/950525205.db2.gz RTVWEVSGQRMCEX-ZDUSSCGKSA-N -1 1 388.476 0.934 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)nn1C ZINC001574996320 950527259 /nfs/dbraw/zinc/52/72/59/950527259.db2.gz LGYFTQMUWWYODS-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)[C@@H]1CCCO1 ZINC001574509691 950527229 /nfs/dbraw/zinc/52/72/29/950527229.db2.gz VVCWKHNPIWTLCA-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)[C@@H]1CCCO1 ZINC001574509691 950527241 /nfs/dbraw/zinc/52/72/41/950527241.db2.gz VVCWKHNPIWTLCA-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)nn1C ZINC001574996320 950527278 /nfs/dbraw/zinc/52/72/78/950527278.db2.gz LGYFTQMUWWYODS-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM C[C@H](CC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574509759 950530342 /nfs/dbraw/zinc/53/03/42/950530342.db2.gz XABSKNIHYCCBMO-NEPJUHHUSA-N -1 1 384.448 0.313 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573868475 950542059 /nfs/dbraw/zinc/54/20/59/950542059.db2.gz CFCSDBZFLBMKOD-CYBMUJFWSA-N -1 1 388.476 0.981 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573868478 950542216 /nfs/dbraw/zinc/54/22/16/950542216.db2.gz CGILDYJLKUWTRG-LBPRGKRZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573868478 950542225 /nfs/dbraw/zinc/54/22/25/950542225.db2.gz CGILDYJLKUWTRG-LBPRGKRZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1ccco1 ZINC001574510865 950544499 /nfs/dbraw/zinc/54/44/99/950544499.db2.gz BUNBJQOFLWKSHM-UHTWSYAYSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1ccco1 ZINC001574510865 950544517 /nfs/dbraw/zinc/54/45/17/950544517.db2.gz BUNBJQOFLWKSHM-UHTWSYAYSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)n1ccnc1 ZINC001574510851 950545894 /nfs/dbraw/zinc/54/58/94/950545894.db2.gz BCCBRSHSFLQWNJ-YRGRVCCFSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)n1ccnc1 ZINC001574510846 950546398 /nfs/dbraw/zinc/54/63/98/950546398.db2.gz BCCBRSHSFLQWNJ-MBNYWOFBSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)CC(C)(C)C ZINC001574511358 950554705 /nfs/dbraw/zinc/55/47/05/950554705.db2.gz ISLFMAYZUUUMEV-YUTCNCBUSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)CC(C)(C)C ZINC001574511358 950554720 /nfs/dbraw/zinc/55/47/20/950554720.db2.gz ISLFMAYZUUUMEV-YUTCNCBUSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575917002 950556505 /nfs/dbraw/zinc/55/65/05/950556505.db2.gz UIGDGMZOQHRWPT-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575917002 950556523 /nfs/dbraw/zinc/55/65/23/950556523.db2.gz UIGDGMZOQHRWPT-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)CC(C)(C)C ZINC001574511220 950557129 /nfs/dbraw/zinc/55/71/29/950557129.db2.gz IKVCIDVZUZMECK-IACUBPJLSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)CC(C)(C)C ZINC001574511220 950557149 /nfs/dbraw/zinc/55/71/49/950557149.db2.gz IKVCIDVZUZMECK-IACUBPJLSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574998827 950558469 /nfs/dbraw/zinc/55/84/69/950558469.db2.gz BCIPFTRWCATUDJ-ZETCQYMHSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574998827 950558486 /nfs/dbraw/zinc/55/84/86/950558486.db2.gz BCIPFTRWCATUDJ-ZETCQYMHSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)n1cccn1 ZINC001574511554 950559435 /nfs/dbraw/zinc/55/94/35/950559435.db2.gz LQJIPIHYRJNRAL-YRGRVCCFSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccn1 ZINC001574511554 950559454 /nfs/dbraw/zinc/55/94/54/950559454.db2.gz LQJIPIHYRJNRAL-YRGRVCCFSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)COc1cccnc1 ZINC001575917190 950561536 /nfs/dbraw/zinc/56/15/36/950561536.db2.gz VBFKUFCYQZOEDF-DGCLKSJQSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)COc1cccnc1 ZINC001575917190 950561544 /nfs/dbraw/zinc/56/15/44/950561544.db2.gz VBFKUFCYQZOEDF-DGCLKSJQSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999015 950565617 /nfs/dbraw/zinc/56/56/17/950565617.db2.gz CVEZGEGLHPZOMD-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573869573 950569245 /nfs/dbraw/zinc/56/92/45/950569245.db2.gz QONOXKTWLBZLOH-XQQFMLRXSA-N -1 1 386.460 0.945 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573869573 950569261 /nfs/dbraw/zinc/56/92/61/950569261.db2.gz QONOXKTWLBZLOH-XQQFMLRXSA-N -1 1 386.460 0.945 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574999200 950569881 /nfs/dbraw/zinc/56/98/81/950569881.db2.gz GMMYQGSOOFBNLU-QMMMGPOBSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574999200 950569900 /nfs/dbraw/zinc/56/99/00/950569900.db2.gz GMMYQGSOOFBNLU-QMMMGPOBSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574999238 950572703 /nfs/dbraw/zinc/57/27/03/950572703.db2.gz HIMKKYXMZIXDNA-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574999238 950572722 /nfs/dbraw/zinc/57/27/22/950572722.db2.gz HIMKKYXMZIXDNA-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999278 950573080 /nfs/dbraw/zinc/57/30/80/950573080.db2.gz IJIMWGALFRVNKX-QMMMGPOBSA-N -1 1 390.358 0.639 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575615799 950573423 /nfs/dbraw/zinc/57/34/23/950573423.db2.gz HUSGBDQJMKCDQF-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575615799 950573429 /nfs/dbraw/zinc/57/34/29/950573429.db2.gz HUSGBDQJMKCDQF-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574999237 950574389 /nfs/dbraw/zinc/57/43/89/950574389.db2.gz HIMKKYXMZIXDNA-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574999237 950574411 /nfs/dbraw/zinc/57/44/11/950574411.db2.gz HIMKKYXMZIXDNA-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575615807 950575454 /nfs/dbraw/zinc/57/54/54/950575454.db2.gz IEWFIZBPKQVELI-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1nccnc1-c1nnn[n-]1 ZINC001574999411 950578173 /nfs/dbraw/zinc/57/81/73/950578173.db2.gz JCSMNBOOURUNJA-JTQLQIEISA-N -1 1 386.420 0.184 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999690 950583485 /nfs/dbraw/zinc/58/34/85/950583485.db2.gz LUDNQZGHAITZPB-SECBINFHSA-N -1 1 375.824 0.903 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574999690 950583497 /nfs/dbraw/zinc/58/34/97/950583497.db2.gz LUDNQZGHAITZPB-SECBINFHSA-N -1 1 375.824 0.903 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574172739 950584929 /nfs/dbraw/zinc/58/49/29/950584929.db2.gz BDIBSPMMOHENBK-AWEZNQCLSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574172739 950584945 /nfs/dbraw/zinc/58/49/45/950584945.db2.gz BDIBSPMMOHENBK-AWEZNQCLSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575000003 950589395 /nfs/dbraw/zinc/58/93/95/950589395.db2.gz NZKOTIOCYSQJON-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575000003 950589409 /nfs/dbraw/zinc/58/94/09/950589409.db2.gz NZKOTIOCYSQJON-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575918419 950589540 /nfs/dbraw/zinc/58/95/40/950589540.db2.gz BUKTXTOFVYJEEV-RKDXNWHRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575918419 950589562 /nfs/dbraw/zinc/58/95/62/950589562.db2.gz BUKTXTOFVYJEEV-RKDXNWHRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575918418 950589739 /nfs/dbraw/zinc/58/97/39/950589739.db2.gz BUKTXTOFVYJEEV-IUCAKERBSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575918418 950589756 /nfs/dbraw/zinc/58/97/56/950589756.db2.gz BUKTXTOFVYJEEV-IUCAKERBSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccsc1 ZINC001575918175 950590838 /nfs/dbraw/zinc/59/08/38/950590838.db2.gz AWDJJRHTCPWSCS-PWSUYJOCSA-N -1 1 386.441 0.620 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccsc1 ZINC001575918173 950592573 /nfs/dbraw/zinc/59/25/73/950592573.db2.gz AWDJJRHTCPWSCS-CMPLNLGQSA-N -1 1 386.441 0.620 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000124 950593736 /nfs/dbraw/zinc/59/37/36/950593736.db2.gz ALAIIEQWMLPWEJ-VIFPVBQESA-N -1 1 381.400 0.476 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000124 950593754 /nfs/dbraw/zinc/59/37/54/950593754.db2.gz ALAIIEQWMLPWEJ-VIFPVBQESA-N -1 1 381.400 0.476 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1nccn2ccnc12 ZINC001575918497 950595112 /nfs/dbraw/zinc/59/51/12/950595112.db2.gz CSAZFTLZLXONHT-GHMZBOCLSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1nccn2ccnc12 ZINC001575918497 950595126 /nfs/dbraw/zinc/59/51/26/950595126.db2.gz CSAZFTLZLXONHT-GHMZBOCLSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575000144 950600555 /nfs/dbraw/zinc/60/05/55/950600555.db2.gz ASFCPBQJOSSKSB-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575000144 950600572 /nfs/dbraw/zinc/60/05/72/950600572.db2.gz ASFCPBQJOSSKSB-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)(C)OCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573870607 950602200 /nfs/dbraw/zinc/60/22/00/950602200.db2.gz KEGWTCIZJLFAIC-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C)OCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573870607 950602209 /nfs/dbraw/zinc/60/22/09/950602209.db2.gz KEGWTCIZJLFAIC-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574173806 950603761 /nfs/dbraw/zinc/60/37/61/950603761.db2.gz MYFFNVJDGGUBMX-AWEZNQCLSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574513305 950604382 /nfs/dbraw/zinc/60/43/82/950604382.db2.gz MWMIBSNGCDGFEI-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574513305 950604393 /nfs/dbraw/zinc/60/43/93/950604393.db2.gz MWMIBSNGCDGFEI-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575919009 950605200 /nfs/dbraw/zinc/60/52/00/950605200.db2.gz FLBZBYXCEWRNSX-SCZZXKLOSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575919009 950605215 /nfs/dbraw/zinc/60/52/15/950605215.db2.gz FLBZBYXCEWRNSX-SCZZXKLOSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575919013 950605687 /nfs/dbraw/zinc/60/56/87/950605687.db2.gz FLBZBYXCEWRNSX-WPRPVWTQSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575919013 950605699 /nfs/dbraw/zinc/60/56/99/950605699.db2.gz FLBZBYXCEWRNSX-WPRPVWTQSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575000613 950609403 /nfs/dbraw/zinc/60/94/03/950609403.db2.gz QTZVDGJSEBPHLT-QMMMGPOBSA-N -1 1 392.374 0.228 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575919359 950610937 /nfs/dbraw/zinc/61/09/37/950610937.db2.gz GZPUWXMYGWSEBP-MWLCHTKSSA-N -1 1 387.835 0.786 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)C1(C)C ZINC001575618530 950614768 /nfs/dbraw/zinc/61/47/68/950614768.db2.gz JXBQGBGPNZTOBO-JQWIXIFHSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)C1(C)C ZINC001575618530 950614779 /nfs/dbraw/zinc/61/47/79/950614779.db2.gz JXBQGBGPNZTOBO-JQWIXIFHSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575919678 950617261 /nfs/dbraw/zinc/61/72/61/950617261.db2.gz JRHRPIWVZZCQBR-PWSUYJOCSA-N -1 1 379.428 0.611 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575919638 950619943 /nfs/dbraw/zinc/61/99/43/950619943.db2.gz JCQYNSWEKDNFEO-RISCZKNCSA-N -1 1 382.403 0.862 20 0 GCADMM CC1(C)C(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575619835 950621764 /nfs/dbraw/zinc/62/17/64/950621764.db2.gz QMPROJGXYSNOJF-GOSISDBHSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575619835 950621779 /nfs/dbraw/zinc/62/17/79/950621779.db2.gz QMPROJGXYSNOJF-GOSISDBHSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncnc2[nH]ccc21 ZINC001575919806 950622296 /nfs/dbraw/zinc/62/22/96/950622296.db2.gz KCPBMJYXEXGOSM-MWLCHTKSSA-N -1 1 391.399 0.595 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncnc2[nH]ccc21 ZINC001575919806 950622309 /nfs/dbraw/zinc/62/23/09/950622309.db2.gz KCPBMJYXEXGOSM-MWLCHTKSSA-N -1 1 391.399 0.595 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759217 950631666 /nfs/dbraw/zinc/63/16/66/950631666.db2.gz LYQDNXFESPPUBE-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759217 950631677 /nfs/dbraw/zinc/63/16/77/950631677.db2.gz LYQDNXFESPPUBE-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920639 950633438 /nfs/dbraw/zinc/63/34/38/950633438.db2.gz MRZYPLSEIDKWPA-ONGXEEELSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(F)(F)F ZINC001574516299 950633698 /nfs/dbraw/zinc/63/36/98/950633698.db2.gz HECVXVOBCOCYFK-NMSKTSORSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(F)(F)F ZINC001574516299 950633708 /nfs/dbraw/zinc/63/37/08/950633708.db2.gz HECVXVOBCOCYFK-NMSKTSORSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575921431 950637059 /nfs/dbraw/zinc/63/70/59/950637059.db2.gz NVWLMXUDLCQROJ-GGIURTRCSA-N -1 1 380.456 0.772 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(F)(F)F ZINC001574516301 950637396 /nfs/dbraw/zinc/63/73/96/950637396.db2.gz HECVXVOBCOCYFK-SKNMHBRKSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(F)(F)F ZINC001574516301 950637401 /nfs/dbraw/zinc/63/74/01/950637401.db2.gz HECVXVOBCOCYFK-SKNMHBRKSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574759415 950638169 /nfs/dbraw/zinc/63/81/69/950638169.db2.gz CSSBADZHVXYULU-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574759415 950638180 /nfs/dbraw/zinc/63/81/80/950638180.db2.gz CSSBADZHVXYULU-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575921674 950641164 /nfs/dbraw/zinc/64/11/64/950641164.db2.gz OEHXAGHBPLVPMD-JQWIXIFHSA-N -1 1 392.427 0.461 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccnc1 ZINC001575923270 950656333 /nfs/dbraw/zinc/65/63/33/950656333.db2.gz QCYSOPZBSWMBDI-OCCSQVGLSA-N -1 1 379.428 0.508 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575923214 950656382 /nfs/dbraw/zinc/65/63/82/950656382.db2.gz PTZUQLFVQDMTLE-BXKDBHETSA-N -1 1 380.416 0.394 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575002453 950658033 /nfs/dbraw/zinc/65/80/33/950658033.db2.gz UEWMFKWNWOFFNU-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575002453 950658045 /nfs/dbraw/zinc/65/80/45/950658045.db2.gz UEWMFKWNWOFFNU-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575002316 950660931 /nfs/dbraw/zinc/66/09/31/950660931.db2.gz RXYBOIIGTVCPAB-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575002316 950660946 /nfs/dbraw/zinc/66/09/46/950660946.db2.gz RXYBOIIGTVCPAB-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575002455 950661476 /nfs/dbraw/zinc/66/14/76/950661476.db2.gz UEWMFKWNWOFFNU-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575002455 950661490 /nfs/dbraw/zinc/66/14/90/950661490.db2.gz UEWMFKWNWOFFNU-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575923659 950663921 /nfs/dbraw/zinc/66/39/21/950663921.db2.gz DAIRQPKBCUHPBV-PSASIEDQSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575923659 950663933 /nfs/dbraw/zinc/66/39/33/950663933.db2.gz DAIRQPKBCUHPBV-PSASIEDQSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760284 950664966 /nfs/dbraw/zinc/66/49/66/950664966.db2.gz VJBRXURFOVJJBB-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760284 950664975 /nfs/dbraw/zinc/66/49/75/950664975.db2.gz VJBRXURFOVJJBB-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001574518921 950665065 /nfs/dbraw/zinc/66/50/65/950665065.db2.gz RUQSKYBRRWSZGY-BCUIYNNISA-N -1 1 379.428 0.660 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575924037 950667591 /nfs/dbraw/zinc/66/75/91/950667591.db2.gz DNMJWGMVVIGIQH-RYUDHWBXSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575924037 950667613 /nfs/dbraw/zinc/66/76/13/950667613.db2.gz DNMJWGMVVIGIQH-RYUDHWBXSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760527 950668009 /nfs/dbraw/zinc/66/80/09/950668009.db2.gz WNLRAUNWXRXSQV-NSHDSACASA-N -1 1 379.428 0.924 20 0 GCADMM CC1(C)CC(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575624531 950671146 /nfs/dbraw/zinc/67/11/46/950671146.db2.gz KJBIEMVXQSHFSD-UHFFFAOYSA-N -1 1 386.460 0.280 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760682 950677155 /nfs/dbraw/zinc/67/71/55/950677155.db2.gz XUNJZYDWJAHRJQ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760682 950677163 /nfs/dbraw/zinc/67/71/63/950677163.db2.gz XUNJZYDWJAHRJQ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760683 950677183 /nfs/dbraw/zinc/67/71/83/950677183.db2.gz XUNJZYDWJAHRJQ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760683 950677192 /nfs/dbraw/zinc/67/71/92/950677192.db2.gz XUNJZYDWJAHRJQ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC001575924535 950677397 /nfs/dbraw/zinc/67/73/97/950677397.db2.gz SHSRXZCKKVXBPX-PWSUYJOCSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574519410 950680432 /nfs/dbraw/zinc/68/04/32/950680432.db2.gz UXMWXPUDAWVAIL-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574519410 950680443 /nfs/dbraw/zinc/68/04/43/950680443.db2.gz UXMWXPUDAWVAIL-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574519409 950680694 /nfs/dbraw/zinc/68/06/94/950680694.db2.gz UXMWXPUDAWVAIL-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574519409 950680710 /nfs/dbraw/zinc/68/07/10/950680710.db2.gz UXMWXPUDAWVAIL-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncn1C ZINC001575925090 950680958 /nfs/dbraw/zinc/68/09/58/950680958.db2.gz GIFCVGHCPLWNBT-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925202 950681215 /nfs/dbraw/zinc/68/12/15/950681215.db2.gz SZGXBLJUNOZPIA-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925202 950681224 /nfs/dbraw/zinc/68/12/24/950681224.db2.gz SZGXBLJUNOZPIA-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576214815 950681596 /nfs/dbraw/zinc/68/15/96/950681596.db2.gz CJCBQQYJTXSQBN-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576214815 950681612 /nfs/dbraw/zinc/68/16/12/950681612.db2.gz CJCBQQYJTXSQBN-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cc[n+]([O-])cc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575005443 950684048 /nfs/dbraw/zinc/68/40/48/950684048.db2.gz FHIUPHWVOVYJJP-ZETCQYMHSA-N -1 1 380.821 0.840 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001573877425 950686185 /nfs/dbraw/zinc/68/61/85/950686185.db2.gz ALXYUNBEOMIIOS-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001573877425 950686195 /nfs/dbraw/zinc/68/61/95/950686195.db2.gz ALXYUNBEOMIIOS-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)c1cc2ccccc2oc1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575005557 950690902 /nfs/dbraw/zinc/69/09/02/950690902.db2.gz HUIYSRLMSZQRTH-SNVBAGLBSA-N -1 1 392.379 0.994 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575925847 950692679 /nfs/dbraw/zinc/69/26/79/950692679.db2.gz VJZFOHAPCXNXAI-YUMQZZPRSA-N -1 1 391.848 0.904 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001575925778 950692756 /nfs/dbraw/zinc/69/27/56/950692756.db2.gz UUVHPWCQUCIXSZ-NWDGAFQWSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@H]1CCCO1 ZINC001574519741 950695026 /nfs/dbraw/zinc/69/50/26/950695026.db2.gz HVNKZUIRQBMCHR-VVSAWPALSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@H]1CCCO1 ZINC001574519741 950695039 /nfs/dbraw/zinc/69/50/39/950695039.db2.gz HVNKZUIRQBMCHR-VVSAWPALSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575005676 950697803 /nfs/dbraw/zinc/69/78/03/950697803.db2.gz KJTVYXVAHYOXIA-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575005676 950697813 /nfs/dbraw/zinc/69/78/13/950697813.db2.gz KJTVYXVAHYOXIA-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574762152 950699807 /nfs/dbraw/zinc/69/98/07/950699807.db2.gz VXAQEVDJLVRRKF-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574762152 950699822 /nfs/dbraw/zinc/69/98/22/950699822.db2.gz VXAQEVDJLVRRKF-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573878380 950704755 /nfs/dbraw/zinc/70/47/55/950704755.db2.gz OOVOUNSBLITHBT-YNEHKIRRSA-N -1 1 386.460 0.400 20 0 GCADMM C[C@H]1CCn2cc(C(=O)N(C)CCNc3ccc(-c4nnn[n-]4)nn3)nc2C1 ZINC001576215700 950704937 /nfs/dbraw/zinc/70/49/37/950704937.db2.gz FTAWHIDWIGYXDF-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCn2cc(C(=O)N(C)CCNc3ccc(-c4nn[n-]n4)nn3)nc2C1 ZINC001576215700 950704950 /nfs/dbraw/zinc/70/49/50/950704950.db2.gz FTAWHIDWIGYXDF-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574762195 950705645 /nfs/dbraw/zinc/70/56/45/950705645.db2.gz XBDLWWIHEVFAMJ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574762195 950705661 /nfs/dbraw/zinc/70/56/61/950705661.db2.gz XBDLWWIHEVFAMJ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573878336 950706717 /nfs/dbraw/zinc/70/67/17/950706717.db2.gz MVCHFDHQVOHCML-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573878336 950706731 /nfs/dbraw/zinc/70/67/31/950706731.db2.gz MVCHFDHQVOHCML-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575006052 950710263 /nfs/dbraw/zinc/71/02/63/950710263.db2.gz REUVPNUVYOSEFO-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575006052 950710284 /nfs/dbraw/zinc/71/02/84/950710284.db2.gz REUVPNUVYOSEFO-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926435 950711515 /nfs/dbraw/zinc/71/15/15/950711515.db2.gz KBALFHZZYWOZJG-NWDGAFQWSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926435 950711525 /nfs/dbraw/zinc/71/15/25/950711525.db2.gz KBALFHZZYWOZJG-NWDGAFQWSA-N -1 1 387.448 0.317 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@]2(C)CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001575628273 950714624 /nfs/dbraw/zinc/71/46/24/950714624.db2.gz BLGVRGBJYMYRGG-SFHVURJKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763422 950715294 /nfs/dbraw/zinc/71/52/94/950715294.db2.gz ASOLCWPYXJTXIQ-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763422 950715306 /nfs/dbraw/zinc/71/53/06/950715306.db2.gz ASOLCWPYXJTXIQ-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575926658 950719824 /nfs/dbraw/zinc/71/98/24/950719824.db2.gz YAMHLDNXPLEIRZ-SCZZXKLOSA-N -1 1 390.358 0.385 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575006283 950720443 /nfs/dbraw/zinc/72/04/43/950720443.db2.gz UVVDZCGVKZIMRT-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575006283 950720460 /nfs/dbraw/zinc/72/04/60/950720460.db2.gz UVVDZCGVKZIMRT-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575006531 950720785 /nfs/dbraw/zinc/72/07/85/950720785.db2.gz VJTOMKIZLOJSJU-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575006531 950720793 /nfs/dbraw/zinc/72/07/93/950720793.db2.gz VJTOMKIZLOJSJU-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575628541 950723530 /nfs/dbraw/zinc/72/35/30/950723530.db2.gz FDRPOPLJVLMUJL-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)no1 ZINC001573879469 950724789 /nfs/dbraw/zinc/72/47/89/950724789.db2.gz CBUAFDWDIKCKBF-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)no1 ZINC001573879469 950724804 /nfs/dbraw/zinc/72/48/04/950724804.db2.gz CBUAFDWDIKCKBF-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574763660 950727840 /nfs/dbraw/zinc/72/78/40/950727840.db2.gz HKPTZLCADJIHPE-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575926967 950728218 /nfs/dbraw/zinc/72/82/18/950728218.db2.gz NBDBKUCCDDBLNN-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575926967 950728237 /nfs/dbraw/zinc/72/82/37/950728237.db2.gz NBDBKUCCDDBLNN-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576216302 950728875 /nfs/dbraw/zinc/72/88/75/950728875.db2.gz DGJLPSHNTFYFPS-ZJUUUORDSA-N -1 1 380.403 0.876 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575927054 950729623 /nfs/dbraw/zinc/72/96/23/950729623.db2.gz ZWJXQOJCSZFDIC-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575927054 950729636 /nfs/dbraw/zinc/72/96/36/950729636.db2.gz ZWJXQOJCSZFDIC-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cn1 ZINC001575927068 950732850 /nfs/dbraw/zinc/73/28/50/950732850.db2.gz ZXTIGUIWUBMLLB-WCQYABFASA-N -1 1 382.432 0.571 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576216368 950733182 /nfs/dbraw/zinc/73/31/82/950733182.db2.gz ILDDTNCZHWYLGF-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576216368 950733197 /nfs/dbraw/zinc/73/31/97/950733197.db2.gz ILDDTNCZHWYLGF-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763789 950733712 /nfs/dbraw/zinc/73/37/12/950733712.db2.gz KXAULUBNURJXRW-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763789 950733723 /nfs/dbraw/zinc/73/37/23/950733723.db2.gz KXAULUBNURJXRW-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216380 950733755 /nfs/dbraw/zinc/73/37/55/950733755.db2.gz INMCDRJFIQYSBZ-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216380 950733769 /nfs/dbraw/zinc/73/37/69/950733769.db2.gz INMCDRJFIQYSBZ-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763817 950734912 /nfs/dbraw/zinc/73/49/12/950734912.db2.gz LOHNWXCRWHQGOE-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763817 950734924 /nfs/dbraw/zinc/73/49/24/950734924.db2.gz LOHNWXCRWHQGOE-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763842 950734990 /nfs/dbraw/zinc/73/49/90/950734990.db2.gz LYZVGJIRMUUIKJ-VIFPVBQESA-N -1 1 385.457 0.985 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574180974 950736720 /nfs/dbraw/zinc/73/67/20/950736720.db2.gz HPKOLINGBHWUQB-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574180974 950736735 /nfs/dbraw/zinc/73/67/35/950736735.db2.gz HPKOLINGBHWUQB-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763961 950739215 /nfs/dbraw/zinc/73/92/15/950739215.db2.gz NVYHIVANZKWRHK-QMMMGPOBSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216625 950742917 /nfs/dbraw/zinc/74/29/17/950742917.db2.gz FAIJBVWWWVYEFI-BDAKNGLRSA-N -1 1 382.350 0.680 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576216935 950744205 /nfs/dbraw/zinc/74/42/05/950744205.db2.gz KEZOMBNOCWGJID-ZJUUUORDSA-N -1 1 382.432 0.157 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncnc1 ZINC001575927476 950744252 /nfs/dbraw/zinc/74/42/52/950744252.db2.gz PQBFDDDGJMWLBJ-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncnc1 ZINC001575927476 950744270 /nfs/dbraw/zinc/74/42/70/950744270.db2.gz PQBFDDDGJMWLBJ-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576216949 950746144 /nfs/dbraw/zinc/74/61/44/950746144.db2.gz KKRPILHXDBVGND-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576216949 950746156 /nfs/dbraw/zinc/74/61/56/950746156.db2.gz KKRPILHXDBVGND-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)C1 ZINC001575629755 950746096 /nfs/dbraw/zinc/74/60/96/950746096.db2.gz RZVSNOAWDLQMFH-SFHVURJKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)C1 ZINC001575629755 950746109 /nfs/dbraw/zinc/74/61/09/950746109.db2.gz RZVSNOAWDLQMFH-SFHVURJKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927571 950748341 /nfs/dbraw/zinc/74/83/41/950748341.db2.gz PZKYEZPJCGMIAT-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927571 950748363 /nfs/dbraw/zinc/74/83/63/950748363.db2.gz PZKYEZPJCGMIAT-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574181997 950754384 /nfs/dbraw/zinc/75/43/84/950754384.db2.gz RIPAATIQDOUCCZ-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574181997 950754397 /nfs/dbraw/zinc/75/43/97/950754397.db2.gz RIPAATIQDOUCCZ-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)c1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)nc1 ZINC001573881800 950754794 /nfs/dbraw/zinc/75/47/94/950754794.db2.gz HRZMCHFWQHYFJL-UHFFFAOYSA-N -1 1 384.400 0.252 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576217072 950756610 /nfs/dbraw/zinc/75/66/10/950756610.db2.gz GTLBXRYQOJHXCX-DIFFPNOSSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576217072 950756631 /nfs/dbraw/zinc/75/66/31/950756631.db2.gz GTLBXRYQOJHXCX-DIFFPNOSSA-N -1 1 390.423 0.601 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574182072 950756892 /nfs/dbraw/zinc/75/68/92/950756892.db2.gz UBEXXPIWNOTSHE-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217400 950758443 /nfs/dbraw/zinc/75/84/43/950758443.db2.gz NJOOQPKTWAHMKV-ZJUUUORDSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)c1cccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001573881946 950759797 /nfs/dbraw/zinc/75/97/97/950759797.db2.gz KZRXQCZIXNKAIA-UHFFFAOYSA-N -1 1 383.412 0.857 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574764754 950762371 /nfs/dbraw/zinc/76/23/71/950762371.db2.gz XVPWRZUVGQNIPB-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574764754 950762392 /nfs/dbraw/zinc/76/23/92/950762392.db2.gz XVPWRZUVGQNIPB-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2ncccn2n1 ZINC001575927939 950764049 /nfs/dbraw/zinc/76/40/49/950764049.db2.gz WJTSHFWUCHENGP-QWRGUYRKSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2ncccn2n1 ZINC001575927939 950764067 /nfs/dbraw/zinc/76/40/67/950764067.db2.gz WJTSHFWUCHENGP-QWRGUYRKSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575927916 950764387 /nfs/dbraw/zinc/76/43/87/950764387.db2.gz VZXVNTIZTKJIIP-ONGXEEELSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2nccnc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764847 950766306 /nfs/dbraw/zinc/76/63/06/950766306.db2.gz ZVSAFFWPMBDWSM-SNVBAGLBSA-N -1 1 391.399 0.568 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2nccnc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764847 950766322 /nfs/dbraw/zinc/76/63/22/950766322.db2.gz ZVSAFFWPMBDWSM-SNVBAGLBSA-N -1 1 391.399 0.568 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)c2C1 ZINC001576217700 950770371 /nfs/dbraw/zinc/77/03/71/950770371.db2.gz NTUMZZGTZVCKEZ-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)c2C1 ZINC001576217700 950770387 /nfs/dbraw/zinc/77/03/87/950770387.db2.gz NTUMZZGTZVCKEZ-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575928127 950772997 /nfs/dbraw/zinc/77/29/97/950772997.db2.gz YYXMSYUSVLMPID-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575928127 950773011 /nfs/dbraw/zinc/77/30/11/950773011.db2.gz YYXMSYUSVLMPID-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM CC1(C)CC(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)C1 ZINC001575631201 950775920 /nfs/dbraw/zinc/77/59/20/950775920.db2.gz LNJDKQWYCFIODM-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)C1 ZINC001575631201 950775931 /nfs/dbraw/zinc/77/59/31/950775931.db2.gz LNJDKQWYCFIODM-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001573884139 950788196 /nfs/dbraw/zinc/78/81/96/950788196.db2.gz ACSUSJHIAQIQGA-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573884274 950789877 /nfs/dbraw/zinc/78/98/77/950789877.db2.gz MCGRYDJZWKEHIW-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573884274 950789895 /nfs/dbraw/zinc/78/98/95/950789895.db2.gz MCGRYDJZWKEHIW-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576218811 950795273 /nfs/dbraw/zinc/79/52/73/950795273.db2.gz RQDNRZNNMFACSU-ZJUUUORDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576218811 950795292 /nfs/dbraw/zinc/79/52/92/950795292.db2.gz RQDNRZNNMFACSU-ZJUUUORDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)nc2C1 ZINC001576218935 950798073 /nfs/dbraw/zinc/79/80/73/950798073.db2.gz RXPHGZWPBKLOKB-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)nc2C1 ZINC001576218935 950798095 /nfs/dbraw/zinc/79/80/95/950798095.db2.gz RXPHGZWPBKLOKB-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574185515 950800567 /nfs/dbraw/zinc/80/05/67/950800567.db2.gz ZPWMTECTBBJGNF-YPMHNXCESA-N -1 1 375.433 0.850 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573884647 950802604 /nfs/dbraw/zinc/80/26/04/950802604.db2.gz HMNWCZZDWIECQL-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573884647 950802629 /nfs/dbraw/zinc/80/26/29/950802629.db2.gz HMNWCZZDWIECQL-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576219170 950802664 /nfs/dbraw/zinc/80/26/64/950802664.db2.gz NOBJPTWDLXSZAP-CYBMUJFWSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576219170 950802683 /nfs/dbraw/zinc/80/26/83/950802683.db2.gz NOBJPTWDLXSZAP-CYBMUJFWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765993 950805335 /nfs/dbraw/zinc/80/53/35/950805335.db2.gz HJDKLKLAFVVOOA-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765993 950805358 /nfs/dbraw/zinc/80/53/58/950805358.db2.gz HJDKLKLAFVVOOA-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576219666 950811228 /nfs/dbraw/zinc/81/12/28/950811228.db2.gz TUXBZQVSTMBBHD-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576219666 950811252 /nfs/dbraw/zinc/81/12/52/950811252.db2.gz TUXBZQVSTMBBHD-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574186466 950813498 /nfs/dbraw/zinc/81/34/98/950813498.db2.gz DSGTVGMQCXROMZ-SFHVURJKSA-N -1 1 388.476 0.670 20 0 GCADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574186691 950816609 /nfs/dbraw/zinc/81/66/09/950816609.db2.gz ILDYGHYAXHCVSZ-ZIAGYGMSSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220241 950823227 /nfs/dbraw/zinc/82/32/27/950823227.db2.gz WOBHFADDURGKRM-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220241 950823248 /nfs/dbraw/zinc/82/32/48/950823248.db2.gz WOBHFADDURGKRM-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220237 950824577 /nfs/dbraw/zinc/82/45/77/950824577.db2.gz WOBHFADDURGKRM-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220237 950824599 /nfs/dbraw/zinc/82/45/99/950824599.db2.gz WOBHFADDURGKRM-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575932236 950825527 /nfs/dbraw/zinc/82/55/27/950825527.db2.gz KZNQDMZZSCFSII-NEPJUHHUSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575932236 950825551 /nfs/dbraw/zinc/82/55/51/950825551.db2.gz KZNQDMZZSCFSII-NEPJUHHUSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575932286 950828576 /nfs/dbraw/zinc/82/85/76/950828576.db2.gz LNVPAODOIIGZJU-WCBMZHEXSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575932286 950828589 /nfs/dbraw/zinc/82/85/89/950828589.db2.gz LNVPAODOIIGZJU-WCBMZHEXSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220278 950829216 /nfs/dbraw/zinc/82/92/16/950829216.db2.gz WXTGGLZYIGWYDS-NXEZZACHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220278 950829241 /nfs/dbraw/zinc/82/92/41/950829241.db2.gz WXTGGLZYIGWYDS-NXEZZACHSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)co1 ZINC001573885526 950833030 /nfs/dbraw/zinc/83/30/30/950833030.db2.gz TUFQCILEYLPQND-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)co1 ZINC001573885526 950833051 /nfs/dbraw/zinc/83/30/51/950833051.db2.gz TUFQCILEYLPQND-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1nc[nH]n1 ZINC001575933277 950838069 /nfs/dbraw/zinc/83/80/69/950838069.db2.gz NTQJJBKUSIQJGD-WDSKDSINSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767189 950840946 /nfs/dbraw/zinc/84/09/46/950840946.db2.gz MXYAHYQVFLACET-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767189 950840968 /nfs/dbraw/zinc/84/09/68/950840968.db2.gz MXYAHYQVFLACET-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)N(C)CCNc3ccc(-c4nnn[n-]4)nn3)cn2C1 ZINC001576220956 950841186 /nfs/dbraw/zinc/84/11/86/950841186.db2.gz YFCHQRYUIXRFDN-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)N(C)CCNc3ccc(-c4nn[n-]n4)nn3)cn2C1 ZINC001576220956 950841203 /nfs/dbraw/zinc/84/12/03/950841203.db2.gz YFCHQRYUIXRFDN-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM CC(C)(C)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573885918 950841184 /nfs/dbraw/zinc/84/11/84/950841184.db2.gz XNYJSBLCUDZYAA-JTQLQIEISA-N -1 1 385.432 0.709 20 0 GCADMM CC(C)(C)c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573885918 950841201 /nfs/dbraw/zinc/84/12/01/950841201.db2.gz XNYJSBLCUDZYAA-JTQLQIEISA-N -1 1 385.432 0.709 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767348 950845850 /nfs/dbraw/zinc/84/58/50/950845850.db2.gz QTCMRJJHNUDVIK-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767348 950845872 /nfs/dbraw/zinc/84/58/72/950845872.db2.gz QTCMRJJHNUDVIK-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767347 950847173 /nfs/dbraw/zinc/84/71/73/950847173.db2.gz QTCMRJJHNUDVIK-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767347 950847200 /nfs/dbraw/zinc/84/72/00/950847200.db2.gz QTCMRJJHNUDVIK-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574767492 950851225 /nfs/dbraw/zinc/85/12/25/950851225.db2.gz PCCIMNPJLKIHDH-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574767492 950851256 /nfs/dbraw/zinc/85/12/56/950851256.db2.gz PCCIMNPJLKIHDH-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576221342 950852851 /nfs/dbraw/zinc/85/28/51/950852851.db2.gz ZZBREWOOLZXGRK-BMIGLBTASA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576221342 950852869 /nfs/dbraw/zinc/85/28/69/950852869.db2.gz ZZBREWOOLZXGRK-BMIGLBTASA-N -1 1 382.432 0.616 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573887987 950859770 /nfs/dbraw/zinc/85/97/70/950859770.db2.gz MHUQTSMLVNKPRS-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573887987 950859803 /nfs/dbraw/zinc/85/98/03/950859803.db2.gz MHUQTSMLVNKPRS-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573888143 950862628 /nfs/dbraw/zinc/86/26/28/950862628.db2.gz PEXOAPHNTMGVIW-AOOOYVTPSA-N -1 1 383.416 0.737 20 0 GCADMM CC(C)CCCC(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574189119 950863734 /nfs/dbraw/zinc/86/37/34/950863734.db2.gz BVMGOMVODQSEHS-UHFFFAOYSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574189119 950863747 /nfs/dbraw/zinc/86/37/47/950863747.db2.gz BVMGOMVODQSEHS-UHFFFAOYSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573888199 950865046 /nfs/dbraw/zinc/86/50/46/950865046.db2.gz RVWBSVGEJKCCJQ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573888199 950865056 /nfs/dbraw/zinc/86/50/56/950865056.db2.gz RVWBSVGEJKCCJQ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C[C@H]2CCCS(=O)(=O)C2)n1 ZINC001573888717 950874058 /nfs/dbraw/zinc/87/40/58/950874058.db2.gz ZIFQGMJHZMWMIX-SNVBAGLBSA-N -1 1 381.462 0.972 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C[C@H]2CCCS(=O)(=O)C2)n1 ZINC001573888717 950874078 /nfs/dbraw/zinc/87/40/78/950874078.db2.gz ZIFQGMJHZMWMIX-SNVBAGLBSA-N -1 1 381.462 0.972 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573888721 950876691 /nfs/dbraw/zinc/87/66/91/950876691.db2.gz ZJEIRGYJOVZKIJ-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575639584 950876908 /nfs/dbraw/zinc/87/69/08/950876908.db2.gz CDNKCBSTJDAFDM-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575639584 950876920 /nfs/dbraw/zinc/87/69/20/950876920.db2.gz CDNKCBSTJDAFDM-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573888736 950877031 /nfs/dbraw/zinc/87/70/31/950877031.db2.gz ZRZLMIHHYGSHCN-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573888736 950877054 /nfs/dbraw/zinc/87/70/54/950877054.db2.gz ZRZLMIHHYGSHCN-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575935425 950877565 /nfs/dbraw/zinc/87/75/65/950877565.db2.gz WIMBNZCKTWCKQL-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575935425 950877585 /nfs/dbraw/zinc/87/75/85/950877585.db2.gz WIMBNZCKTWCKQL-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935480 950882618 /nfs/dbraw/zinc/88/26/18/950882618.db2.gz WZPKYBWGAZFINV-JOYOIKCWSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935480 950882638 /nfs/dbraw/zinc/88/26/38/950882638.db2.gz WZPKYBWGAZFINV-JOYOIKCWSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935477 950884134 /nfs/dbraw/zinc/88/41/34/950884134.db2.gz WZPKYBWGAZFINV-BXKDBHETSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935477 950884143 /nfs/dbraw/zinc/88/41/43/950884143.db2.gz WZPKYBWGAZFINV-BXKDBHETSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)CCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574189836 950897887 /nfs/dbraw/zinc/89/78/87/950897887.db2.gz RWIUNUYTXAPLNT-UHFFFAOYSA-N -1 1 388.476 0.982 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCOC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640723 950899078 /nfs/dbraw/zinc/89/90/78/950899078.db2.gz KBTYRAJRPYNNKX-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCOC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640723 950899094 /nfs/dbraw/zinc/89/90/94/950899094.db2.gz KBTYRAJRPYNNKX-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574527667 950899491 /nfs/dbraw/zinc/89/94/91/950899491.db2.gz FPCLPZSCPBBBNB-ZJUUUORDSA-N -1 1 384.400 0.622 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935887 950901683 /nfs/dbraw/zinc/90/16/83/950901683.db2.gz BQAVTFSCJVXAMJ-JOYOIKCWSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935887 950901699 /nfs/dbraw/zinc/90/16/99/950901699.db2.gz BQAVTFSCJVXAMJ-JOYOIKCWSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768691 950902137 /nfs/dbraw/zinc/90/21/37/950902137.db2.gz VIEOCKTTWYNQKU-SECBINFHSA-N -1 1 388.461 0.626 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nn2)nn1 ZINC001573893904 950907761 /nfs/dbraw/zinc/90/77/61/950907761.db2.gz BKEUKMQKUGMOMD-PLNGDYQASA-N -1 1 383.420 0.401 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nn2)nn1 ZINC001573893904 950907773 /nfs/dbraw/zinc/90/77/73/950907773.db2.gz BKEUKMQKUGMOMD-PLNGDYQASA-N -1 1 383.420 0.401 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC(N(CCO)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575641147 950909628 /nfs/dbraw/zinc/90/96/28/950909628.db2.gz ANNVFVXAZGCYHS-ZDUSSCGKSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC(N(CCO)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575641147 950909646 /nfs/dbraw/zinc/90/96/46/950909646.db2.gz ANNVFVXAZGCYHS-ZDUSSCGKSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576227481 950909916 /nfs/dbraw/zinc/90/99/16/950909916.db2.gz DBMAPAOURRHKGD-QWHCGFSZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576227481 950909925 /nfs/dbraw/zinc/90/99/25/950909925.db2.gz DBMAPAOURRHKGD-QWHCGFSZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227474 950910092 /nfs/dbraw/zinc/91/00/92/950910092.db2.gz CYLDSVDZZWWEPJ-VXGBXAGGSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227474 950910103 /nfs/dbraw/zinc/91/01/03/950910103.db2.gz CYLDSVDZZWWEPJ-VXGBXAGGSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576227482 950910765 /nfs/dbraw/zinc/91/07/65/950910765.db2.gz DBMAPAOURRHKGD-STQMWFEESA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576227482 950910784 /nfs/dbraw/zinc/91/07/84/950910784.db2.gz DBMAPAOURRHKGD-STQMWFEESA-N -1 1 386.460 0.980 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001573893954 950914221 /nfs/dbraw/zinc/91/42/21/950914221.db2.gz FGEVKYJDIJDBHQ-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001573893954 950914234 /nfs/dbraw/zinc/91/42/34/950914234.db2.gz FGEVKYJDIJDBHQ-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1ccc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001573893999 950919326 /nfs/dbraw/zinc/91/93/26/950919326.db2.gz IKGFGRNWJHVUJP-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1ccc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573893999 950919335 /nfs/dbraw/zinc/91/93/35/950919335.db2.gz IKGFGRNWJHVUJP-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)c(=O)[nH]c1=O ZINC001573894168 950921397 /nfs/dbraw/zinc/92/13/97/950921397.db2.gz OULFCBLDKVKKLI-UHFFFAOYSA-N -1 1 385.388 0.601 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)c(=O)[nH]c1=O ZINC001573894168 950921411 /nfs/dbraw/zinc/92/14/11/950921411.db2.gz OULFCBLDKVKKLI-UHFFFAOYSA-N -1 1 385.388 0.601 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573894520 950931123 /nfs/dbraw/zinc/93/11/23/950931123.db2.gz UKWSUHUIZLSJTI-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573894520 950931135 /nfs/dbraw/zinc/93/11/35/950931135.db2.gz UKWSUHUIZLSJTI-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ncccn1 ZINC001575936852 950931010 /nfs/dbraw/zinc/93/10/10/950931010.db2.gz IYERWGXRKLNFBN-NWDGAFQWSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ncccn1 ZINC001575936852 950931022 /nfs/dbraw/zinc/93/10/22/950931022.db2.gz IYERWGXRKLNFBN-NWDGAFQWSA-N -1 1 380.416 0.481 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573894523 950932948 /nfs/dbraw/zinc/93/29/48/950932948.db2.gz URYVJPPPXNJAPD-HAQNSBGRSA-N -1 1 382.432 0.403 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ncccn1 ZINC001575936857 950933247 /nfs/dbraw/zinc/93/32/47/950933247.db2.gz IYERWGXRKLNFBN-VXGBXAGGSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ncccn1 ZINC001575936857 950933263 /nfs/dbraw/zinc/93/32/63/950933263.db2.gz IYERWGXRKLNFBN-VXGBXAGGSA-N -1 1 380.416 0.481 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642037 950933592 /nfs/dbraw/zinc/93/35/92/950933592.db2.gz SXYNFOQGSQZODE-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642037 950933607 /nfs/dbraw/zinc/93/36/07/950933607.db2.gz SXYNFOQGSQZODE-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)CC(F)F ZINC001573895462 950937647 /nfs/dbraw/zinc/93/76/47/950937647.db2.gz BQRICCPLACIVDG-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)CC(F)F ZINC001573895462 950937659 /nfs/dbraw/zinc/93/76/59/950937659.db2.gz BQRICCPLACIVDG-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575937264 950941609 /nfs/dbraw/zinc/94/16/09/950941609.db2.gz JRCHYJVHGRCXFE-PWSUYJOCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575937264 950941633 /nfs/dbraw/zinc/94/16/33/950941633.db2.gz JRCHYJVHGRCXFE-PWSUYJOCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001576228761 950955152 /nfs/dbraw/zinc/95/51/52/950955152.db2.gz KWJSDDXSVAWCGE-KPZWWZAWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001576228761 950955168 /nfs/dbraw/zinc/95/51/68/950955168.db2.gz KWJSDDXSVAWCGE-KPZWWZAWSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C1CC1 ZINC001573897426 950960111 /nfs/dbraw/zinc/96/01/11/950960111.db2.gz PCLBURYAJCUAOW-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C1CC1 ZINC001573897437 950960597 /nfs/dbraw/zinc/96/05/97/950960597.db2.gz PCLBURYAJCUAOW-QWHCGFSZSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529994 950966701 /nfs/dbraw/zinc/96/67/01/950966701.db2.gz SEBZEMAIFDMVJH-UWVGGRQHSA-N -1 1 384.400 0.622 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643792 950978291 /nfs/dbraw/zinc/97/82/91/950978291.db2.gz OYYVMAGAOHIKKM-STQMWFEESA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643867 950979810 /nfs/dbraw/zinc/97/98/10/950979810.db2.gz PQVOJGQCELDMFV-QWHCGFSZSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643867 950979824 /nfs/dbraw/zinc/97/98/24/950979824.db2.gz PQVOJGQCELDMFV-QWHCGFSZSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001575643884 950981120 /nfs/dbraw/zinc/98/11/20/950981120.db2.gz PXBWODPMIWCOGN-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001575643884 950981137 /nfs/dbraw/zinc/98/11/37/950981137.db2.gz PXBWODPMIWCOGN-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575017375 950989200 /nfs/dbraw/zinc/98/92/00/950989200.db2.gz DRKSIYVWPRTQHD-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575017375 950989211 /nfs/dbraw/zinc/98/92/11/950989211.db2.gz DRKSIYVWPRTQHD-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM CC(C)CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574195614 951001589 /nfs/dbraw/zinc/00/15/89/951001589.db2.gz UWTPOWJAHQRMMG-UONOGXRCSA-N -1 1 388.476 0.929 20 0 GCADMM CC(C)(CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)CC(F)(F)F ZINC001573900263 951005924 /nfs/dbraw/zinc/00/59/24/951005924.db2.gz XDCREKGJWVFMHT-UHFFFAOYSA-N -1 1 389.338 0.614 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576230457 951009552 /nfs/dbraw/zinc/00/95/52/951009552.db2.gz RMPQHSRCFBKEBY-XIKOKIGWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576230457 951009570 /nfs/dbraw/zinc/00/95/70/951009570.db2.gz RMPQHSRCFBKEBY-XIKOKIGWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024402 951101167 /nfs/dbraw/zinc/10/11/67/951101167.db2.gz DBDBOHRSLOPVEM-LBPRGKRZSA-N -1 1 381.444 0.623 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024352 951102695 /nfs/dbraw/zinc/10/26/95/951102695.db2.gz BOVRRZRTDJFMIU-MNOVXSKESA-N -1 1 380.412 0.632 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024815 951114691 /nfs/dbraw/zinc/11/46/91/951114691.db2.gz NECWIUOFSGVTFF-LLVKDONJSA-N -1 1 380.412 0.942 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024849 951118065 /nfs/dbraw/zinc/11/80/65/951118065.db2.gz NZNXEIWYKKIDMW-LLVKDONJSA-N -1 1 379.428 0.879 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024849 951118072 /nfs/dbraw/zinc/11/80/72/951118072.db2.gz NZNXEIWYKKIDMW-LLVKDONJSA-N -1 1 379.428 0.879 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575026959 951150352 /nfs/dbraw/zinc/15/03/52/951150352.db2.gz BKVYPXRPSIPXRM-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2cccnc2c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028106 951166960 /nfs/dbraw/zinc/16/69/60/951166960.db2.gz VEBXCTXHXDZQFQ-LLVKDONJSA-N -1 1 375.396 0.857 20 0 GCADMM C[C@H](CNC(=O)c1cccc2ncn(C)c21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028143 951170115 /nfs/dbraw/zinc/17/01/15/951170115.db2.gz LFVGSWSXKIYMDD-SNVBAGLBSA-N -1 1 378.400 0.196 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575030148 951193583 /nfs/dbraw/zinc/19/35/83/951193583.db2.gz ZWPGYNJUKSVMDY-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575030148 951193591 /nfs/dbraw/zinc/19/35/91/951193591.db2.gz ZWPGYNJUKSVMDY-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001575034831 951257921 /nfs/dbraw/zinc/25/79/21/951257921.db2.gz FEHAVGGPDQZBDO-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001575034831 951257932 /nfs/dbraw/zinc/25/79/32/951257932.db2.gz FEHAVGGPDQZBDO-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034816 951257994 /nfs/dbraw/zinc/25/79/94/951257994.db2.gz FAURLSGPKRJCJQ-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034816 951258010 /nfs/dbraw/zinc/25/80/10/951258010.db2.gz FAURLSGPKRJCJQ-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575035059 951267604 /nfs/dbraw/zinc/26/76/04/951267604.db2.gz UAVIOWHVHFLCLR-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575035059 951267613 /nfs/dbraw/zinc/26/76/13/951267613.db2.gz UAVIOWHVHFLCLR-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575035179 951270102 /nfs/dbraw/zinc/27/01/02/951270102.db2.gz HDIYEGDCFRMJPO-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575035179 951270113 /nfs/dbraw/zinc/27/01/13/951270113.db2.gz HDIYEGDCFRMJPO-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575035562 951278441 /nfs/dbraw/zinc/27/84/41/951278441.db2.gz XPWAOTJXCFHERX-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575035562 951278456 /nfs/dbraw/zinc/27/84/56/951278456.db2.gz XPWAOTJXCFHERX-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575035631 951280155 /nfs/dbraw/zinc/28/01/55/951280155.db2.gz ZQTRRFVKGFWECQ-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575035631 951280166 /nfs/dbraw/zinc/28/01/66/951280166.db2.gz ZQTRRFVKGFWECQ-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575035790 951282589 /nfs/dbraw/zinc/28/25/89/951282589.db2.gz LRHDHTLCJSCLAA-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575035790 951282597 /nfs/dbraw/zinc/28/25/97/951282597.db2.gz LRHDHTLCJSCLAA-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575035778 951282827 /nfs/dbraw/zinc/28/28/27/951282827.db2.gz LKENZFVUMJRPIP-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575035778 951282841 /nfs/dbraw/zinc/28/28/41/951282841.db2.gz LKENZFVUMJRPIP-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575036004 951287981 /nfs/dbraw/zinc/28/79/81/951287981.db2.gz OLYVMKJEOYYPHP-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575036493 951294554 /nfs/dbraw/zinc/29/45/54/951294554.db2.gz SYMVLKBYSOWGQX-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575036493 951294566 /nfs/dbraw/zinc/29/45/66/951294566.db2.gz SYMVLKBYSOWGQX-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575036642 951299325 /nfs/dbraw/zinc/29/93/25/951299325.db2.gz UWJWFWOOSQESSG-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575036904 951300221 /nfs/dbraw/zinc/30/02/21/951300221.db2.gz YPPPADNOFBMWSG-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575038515 951321478 /nfs/dbraw/zinc/32/14/78/951321478.db2.gz JSHMGWKYOJMSED-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575038515 951321488 /nfs/dbraw/zinc/32/14/88/951321488.db2.gz JSHMGWKYOJMSED-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575042146 951355243 /nfs/dbraw/zinc/35/52/43/951355243.db2.gz GKROTNCCNQBPKG-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575042146 951355256 /nfs/dbraw/zinc/35/52/56/951355256.db2.gz GKROTNCCNQBPKG-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1nccnc1-c1nnn[n-]1 ZINC001575042264 951358495 /nfs/dbraw/zinc/35/84/95/951358495.db2.gz HSKCWPXNOAVGNL-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1nccnc1-c1nn[n-]n1 ZINC001575042264 951358502 /nfs/dbraw/zinc/35/85/02/951358502.db2.gz HSKCWPXNOAVGNL-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575042561 951367356 /nfs/dbraw/zinc/36/73/56/951367356.db2.gz AFZWKYCMEGHLMN-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575042561 951367376 /nfs/dbraw/zinc/36/73/76/951367376.db2.gz AFZWKYCMEGHLMN-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001575043196 951381836 /nfs/dbraw/zinc/38/18/36/951381836.db2.gz GQJFYQKPDCNBRX-KOLCDFICSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001575043196 951381844 /nfs/dbraw/zinc/38/18/44/951381844.db2.gz GQJFYQKPDCNBRX-KOLCDFICSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575043514 951396474 /nfs/dbraw/zinc/39/64/74/951396474.db2.gz SNKUFCRKBXRCSO-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575043616 951399830 /nfs/dbraw/zinc/39/98/30/951399830.db2.gz KTCBWJDKUZZDGD-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575043616 951399841 /nfs/dbraw/zinc/39/98/41/951399841.db2.gz KTCBWJDKUZZDGD-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044215 951409564 /nfs/dbraw/zinc/40/95/64/951409564.db2.gz YAAPKCAMHXUZGP-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044215 951409577 /nfs/dbraw/zinc/40/95/77/951409577.db2.gz YAAPKCAMHXUZGP-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575044341 951413394 /nfs/dbraw/zinc/41/33/94/951413394.db2.gz ZCPMWXQOINLRJQ-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575044341 951413403 /nfs/dbraw/zinc/41/34/03/951413403.db2.gz ZCPMWXQOINLRJQ-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575046971 951450570 /nfs/dbraw/zinc/45/05/70/951450570.db2.gz WIQLJLOPWMHAHL-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575046861 951451355 /nfs/dbraw/zinc/45/13/55/951451355.db2.gz UUYUBXYRDCFIOZ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575046861 951451360 /nfs/dbraw/zinc/45/13/60/951451360.db2.gz UUYUBXYRDCFIOZ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575047146 951453018 /nfs/dbraw/zinc/45/30/18/951453018.db2.gz XWBIAJOBGLRLOB-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575047146 951453026 /nfs/dbraw/zinc/45/30/26/951453026.db2.gz XWBIAJOBGLRLOB-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575047179 951454298 /nfs/dbraw/zinc/45/42/98/951454298.db2.gz YQBOMXUVDIARHB-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575047179 951454305 /nfs/dbraw/zinc/45/43/05/951454305.db2.gz YQBOMXUVDIARHB-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575047180 951455171 /nfs/dbraw/zinc/45/51/71/951455171.db2.gz YQBOMXUVDIARHB-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575047180 951455179 /nfs/dbraw/zinc/45/51/79/951455179.db2.gz YQBOMXUVDIARHB-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575052110 951459813 /nfs/dbraw/zinc/45/98/13/951459813.db2.gz DEZPMOOAQHPYAM-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575052110 951459820 /nfs/dbraw/zinc/45/98/20/951459820.db2.gz DEZPMOOAQHPYAM-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052498 951466648 /nfs/dbraw/zinc/46/66/48/951466648.db2.gz KHGXZMHPSRLSMK-NSHDSACASA-N -1 1 382.432 0.163 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575053667 951481904 /nfs/dbraw/zinc/48/19/04/951481904.db2.gz UBARVXQLDUKGRD-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575053667 951481915 /nfs/dbraw/zinc/48/19/15/951481915.db2.gz UBARVXQLDUKGRD-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575053695 951482157 /nfs/dbraw/zinc/48/21/57/951482157.db2.gz UMXOFZPXDFNBAY-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575053695 951482166 /nfs/dbraw/zinc/48/21/66/951482166.db2.gz UMXOFZPXDFNBAY-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575053765 951484205 /nfs/dbraw/zinc/48/42/05/951484205.db2.gz VLEZUHYZVRZWDE-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575053765 951484216 /nfs/dbraw/zinc/48/42/16/951484216.db2.gz VLEZUHYZVRZWDE-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575054673 951496715 /nfs/dbraw/zinc/49/67/15/951496715.db2.gz ZVAUSJXEAPFSGS-NSHDSACASA-N -1 1 382.432 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575054673 951496720 /nfs/dbraw/zinc/49/67/20/951496720.db2.gz ZVAUSJXEAPFSGS-NSHDSACASA-N -1 1 382.432 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575056337 951518325 /nfs/dbraw/zinc/51/83/25/951518325.db2.gz HTNVSPAMZUWNMH-SECBINFHSA-N -1 1 385.457 0.891 20 0 GCADMM C[C@@H](CNC(=O)c1conc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575056420 951520186 /nfs/dbraw/zinc/52/01/86/951520186.db2.gz IZNNKFNMXQVWGV-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1conc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575056420 951520193 /nfs/dbraw/zinc/52/01/93/951520193.db2.gz IZNNKFNMXQVWGV-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575061280 951558017 /nfs/dbraw/zinc/55/80/17/951558017.db2.gz MLGHNUCNLJYZAG-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575061280 951558023 /nfs/dbraw/zinc/55/80/23/951558023.db2.gz MLGHNUCNLJYZAG-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575062798 951571237 /nfs/dbraw/zinc/57/12/37/951571237.db2.gz YQNSTIAPLLDAAJ-SSDOTTSWSA-N -1 1 379.837 0.667 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575062813 951571636 /nfs/dbraw/zinc/57/16/36/951571636.db2.gz YVFPEHBSVACRBE-SNVBAGLBSA-N -1 1 382.432 0.513 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575062822 951573135 /nfs/dbraw/zinc/57/31/35/951573135.db2.gz ZAYWMORRLTZSCF-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575062822 951573143 /nfs/dbraw/zinc/57/31/43/951573143.db2.gz ZAYWMORRLTZSCF-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575065394 951583460 /nfs/dbraw/zinc/58/34/60/951583460.db2.gz CGKLRZHJHCDOSX-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575065394 951583466 /nfs/dbraw/zinc/58/34/66/951583466.db2.gz CGKLRZHJHCDOSX-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575067114 951602899 /nfs/dbraw/zinc/60/28/99/951602899.db2.gz IGSGJFCJRBOPKX-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575067114 951602906 /nfs/dbraw/zinc/60/29/06/951602906.db2.gz IGSGJFCJRBOPKX-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575067260 951606378 /nfs/dbraw/zinc/60/63/78/951606378.db2.gz POZPNHJLKXZDHT-SSDOTTSWSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575067472 951614493 /nfs/dbraw/zinc/61/44/93/951614493.db2.gz SWSNVZSNAUOBGZ-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575067472 951614498 /nfs/dbraw/zinc/61/44/98/951614498.db2.gz SWSNVZSNAUOBGZ-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067571 951616566 /nfs/dbraw/zinc/61/65/66/951616566.db2.gz VQQMNSDPKKSCSQ-VIFPVBQESA-N -1 1 385.388 0.195 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067571 951616575 /nfs/dbraw/zinc/61/65/75/951616575.db2.gz VQQMNSDPKKSCSQ-VIFPVBQESA-N -1 1 385.388 0.195 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067570 951616676 /nfs/dbraw/zinc/61/66/76/951616676.db2.gz VQQMNSDPKKSCSQ-SECBINFHSA-N -1 1 385.388 0.195 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067570 951616684 /nfs/dbraw/zinc/61/66/84/951616684.db2.gz VQQMNSDPKKSCSQ-SECBINFHSA-N -1 1 385.388 0.195 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575067968 951626819 /nfs/dbraw/zinc/62/68/19/951626819.db2.gz TYWOHTAGVUUNQB-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575067968 951626826 /nfs/dbraw/zinc/62/68/26/951626826.db2.gz TYWOHTAGVUUNQB-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575069578 951645836 /nfs/dbraw/zinc/64/58/36/951645836.db2.gz KXPQTLQCANMJDE-QMMMGPOBSA-N -1 1 386.445 0.640 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575071235 951657590 /nfs/dbraw/zinc/65/75/90/951657590.db2.gz YVJLBQCVYCMRCL-SECBINFHSA-N -1 1 388.461 0.532 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CCC[C@@H](N3CCOCC3)CC2)C1=O ZINC001595091743 951782410 /nfs/dbraw/zinc/78/24/10/951782410.db2.gz UMNPOEWIBDOYRK-HZPDHXFCSA-N -1 1 396.488 0.348 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)c2nc[nH]c(=O)c2Br)C1=O ZINC001595095990 951813213 /nfs/dbraw/zinc/81/32/13/951813213.db2.gz KKTXNKVNDCIUAV-ZETCQYMHSA-N -1 1 387.190 0.140 20 0 GCADMM CC(C)(C)OC(=O)N1CCN([C@H]2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)CC1 ZINC001602888855 971789339 /nfs/dbraw/zinc/78/93/39/971789339.db2.gz MQIDSNJFAINPTF-LSDHHAIUSA-N -1 1 396.488 0.299 20 0 GCADMM C[C@@H]1[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000382027359 971796339 /nfs/dbraw/zinc/79/63/39/971796339.db2.gz QVDPONSHNXNHRW-CJNGLKHVSA-N -1 1 378.454 0.909 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575127921 952060829 /nfs/dbraw/zinc/06/08/29/952060829.db2.gz DIFJLODNECLWKP-HOTGVXAUSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575127921 952060841 /nfs/dbraw/zinc/06/08/41/952060841.db2.gz DIFJLODNECLWKP-HOTGVXAUSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575128793 952071747 /nfs/dbraw/zinc/07/17/47/952071747.db2.gz MEUQXNVLPMBWDM-QGZVFWFLSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575128793 952071754 /nfs/dbraw/zinc/07/17/54/952071754.db2.gz MEUQXNVLPMBWDM-QGZVFWFLSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575131727 952088346 /nfs/dbraw/zinc/08/83/46/952088346.db2.gz ATUPONTVHYPQEX-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575131731 952089598 /nfs/dbraw/zinc/08/95/98/952089598.db2.gz ATUPONTVHYPQEX-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575132216 952090693 /nfs/dbraw/zinc/09/06/93/952090693.db2.gz DRZAHBUQWLWJNH-YPMHNXCESA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575132216 952090698 /nfs/dbraw/zinc/09/06/98/952090698.db2.gz DRZAHBUQWLWJNH-YPMHNXCESA-N -1 1 387.448 0.315 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c(F)cncc1F ZINC001575132491 952094186 /nfs/dbraw/zinc/09/41/86/952094186.db2.gz FLFPRLUIDYZNNB-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c(F)cncc1F ZINC001575132491 952094194 /nfs/dbraw/zinc/09/41/94/952094194.db2.gz FLFPRLUIDYZNNB-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575134749 952113946 /nfs/dbraw/zinc/11/39/46/952113946.db2.gz OXDMFEQUVFYBPG-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575134749 952113954 /nfs/dbraw/zinc/11/39/54/952113954.db2.gz OXDMFEQUVFYBPG-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575135015 952114038 /nfs/dbraw/zinc/11/40/38/952114038.db2.gz JOYJWWFOTUZPSW-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575135015 952114048 /nfs/dbraw/zinc/11/40/48/952114048.db2.gz JOYJWWFOTUZPSW-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575135301 952118068 /nfs/dbraw/zinc/11/80/68/952118068.db2.gz QIJGCASVOOQODC-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575135301 952118080 /nfs/dbraw/zinc/11/80/80/952118080.db2.gz QIJGCASVOOQODC-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575135575 952119037 /nfs/dbraw/zinc/11/90/37/952119037.db2.gz LNDWKHIGZWRIDW-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575135575 952119043 /nfs/dbraw/zinc/11/90/43/952119043.db2.gz LNDWKHIGZWRIDW-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575136347 952124248 /nfs/dbraw/zinc/12/42/48/952124248.db2.gz OQDYMPPAJMCIMC-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575136347 952124256 /nfs/dbraw/zinc/12/42/56/952124256.db2.gz OQDYMPPAJMCIMC-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575137438 952139494 /nfs/dbraw/zinc/13/94/94/952139494.db2.gz ZFDOCBSZNXLFHA-KZULUSFZSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575140443 952142623 /nfs/dbraw/zinc/14/26/23/952142623.db2.gz CXCKFWDCACJDIP-SNVBAGLBSA-N -1 1 388.382 0.858 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575142211 952147010 /nfs/dbraw/zinc/14/70/10/952147010.db2.gz KGUQXHWRMCJTED-OCCSQVGLSA-N -1 1 384.419 0.918 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575143535 952154577 /nfs/dbraw/zinc/15/45/77/952154577.db2.gz QDOGWYPXJHPAQA-NSHDSACASA-N -1 1 386.391 0.556 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575144168 952162537 /nfs/dbraw/zinc/16/25/37/952162537.db2.gz UOEODXOIQWQWDI-YPMHNXCESA-N -1 1 379.428 0.462 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575144100 952162861 /nfs/dbraw/zinc/16/28/61/952162861.db2.gz GCJLZQPPBFMWAW-GFCCVEGCSA-N -1 1 381.444 0.717 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575144276 952165169 /nfs/dbraw/zinc/16/51/69/952165169.db2.gz HORGFMFUULZHGL-SECBINFHSA-N -1 1 392.374 0.113 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575144451 952165636 /nfs/dbraw/zinc/16/56/36/952165636.db2.gz VSESBXJKEZSNTF-WDEREUQCSA-N -1 1 382.432 0.181 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575144380 952165767 /nfs/dbraw/zinc/16/57/67/952165767.db2.gz IEDPIQZEWRMGBZ-SSDOTTSWSA-N -1 1 379.331 0.577 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575144398 952166098 /nfs/dbraw/zinc/16/60/98/952166098.db2.gz IESIRUOODIWMFK-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575144350 952166442 /nfs/dbraw/zinc/16/64/42/952166442.db2.gz HVEYXWZZTRTGCW-JTQLQIEISA-N -1 1 384.448 0.672 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1scnc1Cl ZINC001575144465 952167605 /nfs/dbraw/zinc/16/76/05/952167605.db2.gz IQTAAXUDTAJOBP-ZETCQYMHSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575144734 952171125 /nfs/dbraw/zinc/17/11/25/952171125.db2.gz XRIDYMAPQXGHPL-KWCYVHTRSA-N -1 1 379.428 0.536 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575144703 952171237 /nfs/dbraw/zinc/17/12/37/952171237.db2.gz XLWFCUOBGLQIHE-CYBMUJFWSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575144825 952172869 /nfs/dbraw/zinc/17/28/69/952172869.db2.gz XYZNTMWDTDCASH-KRWDZBQOSA-N -1 1 383.416 0.396 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575144953 952175882 /nfs/dbraw/zinc/17/58/82/952175882.db2.gz ZOOBWPJMIUJFBD-QMTHXVAHSA-N -1 1 382.403 0.816 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575145198 952180770 /nfs/dbraw/zinc/18/07/70/952180770.db2.gz SELDIHGZPZHJOE-ZETCQYMHSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575145463 952184358 /nfs/dbraw/zinc/18/43/58/952184358.db2.gz YBNYHLJWZHMAFL-JTQLQIEISA-N -1 1 384.448 0.672 20 0 GCADMM C[C@](CNc1cnc(-c2nn[nH]n2)cn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575153185 952206478 /nfs/dbraw/zinc/20/64/78/952206478.db2.gz DTPOZRRCBVHZLC-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575153532 952209602 /nfs/dbraw/zinc/20/96/02/952209602.db2.gz IABPWULIFYDGTN-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575153532 952209609 /nfs/dbraw/zinc/20/96/09/952209609.db2.gz IABPWULIFYDGTN-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575154159 952216949 /nfs/dbraw/zinc/21/69/49/952216949.db2.gz PGYBEARDZWIKAV-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575154159 952216953 /nfs/dbraw/zinc/21/69/53/952216953.db2.gz PGYBEARDZWIKAV-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575154259 952220261 /nfs/dbraw/zinc/22/02/61/952220261.db2.gz ADMFVUNKDYSIHU-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575154259 952220268 /nfs/dbraw/zinc/22/02/68/952220268.db2.gz ADMFVUNKDYSIHU-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1cnn2ccccc12 ZINC001575154356 952221538 /nfs/dbraw/zinc/22/15/38/952221538.db2.gz RARQMYNBQDLBIK-LBPRGKRZSA-N -1 1 392.427 0.806 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1cnn2ccccc12 ZINC001575154356 952221548 /nfs/dbraw/zinc/22/15/48/952221548.db2.gz RARQMYNBQDLBIK-LBPRGKRZSA-N -1 1 392.427 0.806 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575154506 952225379 /nfs/dbraw/zinc/22/53/79/952225379.db2.gz RSGNKEHQGHZJPP-WDEREUQCSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(=O)Nc1ccccc1 ZINC001575154649 952226884 /nfs/dbraw/zinc/22/68/84/952226884.db2.gz GXFXRGITUFNELE-LLVKDONJSA-N -1 1 381.400 0.554 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(=O)Nc1ccccc1 ZINC001575154649 952226891 /nfs/dbraw/zinc/22/68/91/952226891.db2.gz GXFXRGITUFNELE-LLVKDONJSA-N -1 1 381.400 0.554 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(=O)Nc1ccccc1 ZINC001575154650 952228308 /nfs/dbraw/zinc/22/83/08/952228308.db2.gz GXFXRGITUFNELE-NSHDSACASA-N -1 1 381.400 0.554 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(=O)Nc1ccccc1 ZINC001575154650 952228314 /nfs/dbraw/zinc/22/83/14/952228314.db2.gz GXFXRGITUFNELE-NSHDSACASA-N -1 1 381.400 0.554 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575154978 952234014 /nfs/dbraw/zinc/23/40/14/952234014.db2.gz IZXVYJJXGAMPFA-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575154978 952234020 /nfs/dbraw/zinc/23/40/20/952234020.db2.gz IZXVYJJXGAMPFA-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCn1ccccc1=O ZINC001575155787 952244010 /nfs/dbraw/zinc/24/40/10/952244010.db2.gz AHVATLALIQTJHU-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCn1ccccc1=O ZINC001575155787 952244017 /nfs/dbraw/zinc/24/40/17/952244017.db2.gz AHVATLALIQTJHU-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCn1ccccc1=O ZINC001575155784 952244103 /nfs/dbraw/zinc/24/41/03/952244103.db2.gz AHVATLALIQTJHU-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCn1ccccc1=O ZINC001575155784 952244110 /nfs/dbraw/zinc/24/41/10/952244110.db2.gz AHVATLALIQTJHU-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575155746 952244203 /nfs/dbraw/zinc/24/42/03/952244203.db2.gz ABTATOIPBXUZST-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575155746 952244209 /nfs/dbraw/zinc/24/42/09/952244209.db2.gz ABTATOIPBXUZST-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575156126 952248192 /nfs/dbraw/zinc/24/81/92/952248192.db2.gz CPRXCBBOIACIBF-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575156126 952248199 /nfs/dbraw/zinc/24/81/99/952248199.db2.gz CPRXCBBOIACIBF-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575156159 952248589 /nfs/dbraw/zinc/24/85/89/952248589.db2.gz CVIWVPQMJVUFGH-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575156159 952248594 /nfs/dbraw/zinc/24/85/94/952248594.db2.gz CVIWVPQMJVUFGH-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575156123 952248700 /nfs/dbraw/zinc/24/87/00/952248700.db2.gz CPRXCBBOIACIBF-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575156123 952248706 /nfs/dbraw/zinc/24/87/06/952248706.db2.gz CPRXCBBOIACIBF-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575156135 952248900 /nfs/dbraw/zinc/24/89/00/952248900.db2.gz CSSCJAOJUQCWNQ-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575156135 952248904 /nfs/dbraw/zinc/24/89/04/952248904.db2.gz CSSCJAOJUQCWNQ-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575156515 952253105 /nfs/dbraw/zinc/25/31/05/952253105.db2.gz SWLVZAHZANAOHE-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575156515 952253107 /nfs/dbraw/zinc/25/31/07/952253107.db2.gz SWLVZAHZANAOHE-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575156526 952253208 /nfs/dbraw/zinc/25/32/08/952253208.db2.gz TZQYJRGVCFPSQJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575156526 952253215 /nfs/dbraw/zinc/25/32/15/952253215.db2.gz TZQYJRGVCFPSQJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575156621 952254818 /nfs/dbraw/zinc/25/48/18/952254818.db2.gz GVFDXUBWTFPVNW-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575156621 952254824 /nfs/dbraw/zinc/25/48/24/952254824.db2.gz GVFDXUBWTFPVNW-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575157206 952261860 /nfs/dbraw/zinc/26/18/60/952261860.db2.gz YASSPMOSHJDKJY-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575157206 952261864 /nfs/dbraw/zinc/26/18/64/952261864.db2.gz YASSPMOSHJDKJY-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ncn(C)n1 ZINC001575164114 952286726 /nfs/dbraw/zinc/28/67/26/952286726.db2.gz BQPNYBZOPWFEGP-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@](CNc1nc(-c2nn[n-]n2)c(Cl)s1)(NC(=O)CC(N)=O)C1CC1 ZINC001575164248 952289450 /nfs/dbraw/zinc/28/94/50/952289450.db2.gz CKWTUPLRFGPBNH-CYBMUJFWSA-N -1 1 384.853 0.549 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)nn1 ZINC001575164412 952294219 /nfs/dbraw/zinc/29/42/19/952294219.db2.gz DWNHMXBKFJQNOT-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cn(C)nn1 ZINC001575164412 952294225 /nfs/dbraw/zinc/29/42/25/952294225.db2.gz DWNHMXBKFJQNOT-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)CCNC(N)=O ZINC001575166353 952324231 /nfs/dbraw/zinc/32/42/31/952324231.db2.gz VJBHMCHZDCTHTQ-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575173927 952359900 /nfs/dbraw/zinc/35/99/00/952359900.db2.gz CXWWPUSEQVCFLN-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575173927 952359907 /nfs/dbraw/zinc/35/99/07/952359907.db2.gz CXWWPUSEQVCFLN-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ncccc1O)C1CC1 ZINC001575173896 952360305 /nfs/dbraw/zinc/36/03/05/952360305.db2.gz CJNUFRWKKRYRCT-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[nH]n1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575173896 952360311 /nfs/dbraw/zinc/36/03/11/952360311.db2.gz CJNUFRWKKRYRCT-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575174343 952369356 /nfs/dbraw/zinc/36/93/56/952369356.db2.gz MODFIJAUXLZKBO-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575174343 952369364 /nfs/dbraw/zinc/36/93/64/952369364.db2.gz MODFIJAUXLZKBO-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575174366 952371277 /nfs/dbraw/zinc/37/12/77/952371277.db2.gz NABJCSLTINEGFG-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575174366 952371285 /nfs/dbraw/zinc/37/12/85/952371285.db2.gz NABJCSLTINEGFG-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575174592 952375099 /nfs/dbraw/zinc/37/50/99/952375099.db2.gz ABXRWNKCYXPJEP-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575174592 952375104 /nfs/dbraw/zinc/37/51/04/952375104.db2.gz ABXRWNKCYXPJEP-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575174551 952375381 /nfs/dbraw/zinc/37/53/81/952375381.db2.gz QOANHMHCRIJJLB-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575174551 952375384 /nfs/dbraw/zinc/37/53/84/952375384.db2.gz QOANHMHCRIJJLB-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575174529 952375486 /nfs/dbraw/zinc/37/54/86/952375486.db2.gz QGHYKALXQYUSFL-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575174529 952375490 /nfs/dbraw/zinc/37/54/90/952375490.db2.gz QGHYKALXQYUSFL-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575175761 952389566 /nfs/dbraw/zinc/38/95/66/952389566.db2.gz YJCQFMAZAGHCBF-ZIVKBKJYSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575175761 952389575 /nfs/dbraw/zinc/38/95/75/952389575.db2.gz YJCQFMAZAGHCBF-ZIVKBKJYSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cn1cncn1 ZINC001575176991 952397707 /nfs/dbraw/zinc/39/77/07/952397707.db2.gz GANRFGKTIJATGY-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cn1cncn1 ZINC001575176991 952397713 /nfs/dbraw/zinc/39/77/13/952397713.db2.gz GANRFGKTIJATGY-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575177092 952398301 /nfs/dbraw/zinc/39/83/01/952398301.db2.gz GRUNZLUJWQLUCL-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575177092 952398309 /nfs/dbraw/zinc/39/83/09/952398309.db2.gz GRUNZLUJWQLUCL-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575177252 952399725 /nfs/dbraw/zinc/39/97/25/952399725.db2.gz HQAQKKMXADHQLB-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575177252 952399731 /nfs/dbraw/zinc/39/97/31/952399731.db2.gz HQAQKKMXADHQLB-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC001602903105 971830456 /nfs/dbraw/zinc/83/04/56/971830456.db2.gz LHQUDJFZTURRDP-GJZGRUSLSA-N -1 1 399.488 0.972 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@@H](C)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001575177768 952403377 /nfs/dbraw/zinc/40/33/77/952403377.db2.gz JPAJUWKBQDSVRO-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@@H](C)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001575177768 952403382 /nfs/dbraw/zinc/40/33/82/952403382.db2.gz JPAJUWKBQDSVRO-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575178861 952409252 /nfs/dbraw/zinc/40/92/52/952409252.db2.gz OIKRFBYFJYLCAP-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575178861 952409255 /nfs/dbraw/zinc/40/92/55/952409255.db2.gz OIKRFBYFJYLCAP-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCNC1=O ZINC001575179774 952414672 /nfs/dbraw/zinc/41/46/72/952414672.db2.gz QVPFSJZYNHAUOW-RNFRBKRXSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCNC1=O ZINC001575179774 952414674 /nfs/dbraw/zinc/41/46/74/952414674.db2.gz QVPFSJZYNHAUOW-RNFRBKRXSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575180220 952417169 /nfs/dbraw/zinc/41/71/69/952417169.db2.gz UDNAXHRVIXPWIO-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575180220 952417171 /nfs/dbraw/zinc/41/71/71/952417171.db2.gz UDNAXHRVIXPWIO-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575180549 952418505 /nfs/dbraw/zinc/41/85/05/952418505.db2.gz VWDFHOFBNDBMNZ-QYNIQEEDSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575180549 952418508 /nfs/dbraw/zinc/41/85/08/952418508.db2.gz VWDFHOFBNDBMNZ-QYNIQEEDSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001575180497 952418704 /nfs/dbraw/zinc/41/87/04/952418704.db2.gz UVXDENFOBORUBB-LURJTMIESA-N -1 1 384.853 0.501 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001575180497 952418711 /nfs/dbraw/zinc/41/87/11/952418711.db2.gz UVXDENFOBORUBB-LURJTMIESA-N -1 1 384.853 0.501 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575180934 952419582 /nfs/dbraw/zinc/41/95/82/952419582.db2.gz YAFHEXNFNZQVMZ-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575180934 952419585 /nfs/dbraw/zinc/41/95/85/952419585.db2.gz YAFHEXNFNZQVMZ-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncc(F)cc1F ZINC001575181163 952421795 /nfs/dbraw/zinc/42/17/95/952421795.db2.gz ZMDRNJUFJDIHML-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575181163 952421801 /nfs/dbraw/zinc/42/18/01/952421801.db2.gz ZMDRNJUFJDIHML-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC001575184789 952424347 /nfs/dbraw/zinc/42/43/47/952424347.db2.gz CMDYCVNBQZJBJN-JTQLQIEISA-N -1 1 386.503 0.157 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575188049 952446102 /nfs/dbraw/zinc/44/61/02/952446102.db2.gz GVIFDNPJRVQDQN-LBPRGKRZSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575188049 952446107 /nfs/dbraw/zinc/44/61/07/952446107.db2.gz GVIFDNPJRVQDQN-LBPRGKRZSA-N -1 1 386.416 0.361 20 0 GCADMM Cn1c(=O)[nH]c(NC[C@H](CO)Cc2ccc(F)cc2)c(-c2nn[n-]n2)c1=O ZINC001571114285 952451589 /nfs/dbraw/zinc/45/15/89/952451589.db2.gz FWRMYJXZIXQQLH-SNVBAGLBSA-N -1 1 375.364 0.068 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](c2cnccn2)C1 ZINC001571115284 952465612 /nfs/dbraw/zinc/46/56/12/952465612.db2.gz UHAYMJGYFQNXFF-JTQLQIEISA-N -1 1 375.389 0.974 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](c2cnccn2)C1 ZINC001571115284 952465617 /nfs/dbraw/zinc/46/56/17/952465617.db2.gz UHAYMJGYFQNXFF-JTQLQIEISA-N -1 1 375.389 0.974 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575196883 952478599 /nfs/dbraw/zinc/47/85/99/952478599.db2.gz KRACOFKEYSCROV-AVGNSLFASA-N -1 1 380.412 0.918 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197318 952483700 /nfs/dbraw/zinc/48/37/00/952483700.db2.gz SVPUVCPZLWTITK-SMDDNHRTSA-N -1 1 382.428 0.857 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197626 952485789 /nfs/dbraw/zinc/48/57/89/952485789.db2.gz XSSJOVRLTUVMFQ-UPJWGTAASA-N -1 1 382.428 0.857 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197625 952485929 /nfs/dbraw/zinc/48/59/29/952485929.db2.gz XSSJOVRLTUVMFQ-RWMBFGLXSA-N -1 1 382.428 0.857 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC001571118090 952487497 /nfs/dbraw/zinc/48/74/97/952487497.db2.gz UQEJISVLBXVJQL-ZDUSSCGKSA-N -1 1 375.433 0.362 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CC[C@H](CO)[C@H]3C)CC2)o1 ZINC001571118393 952488097 /nfs/dbraw/zinc/48/80/97/952488097.db2.gz WTSLBPUUVDCNIQ-ZWNOBZJWSA-N -1 1 375.433 0.609 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(Cl)no1 ZINC001571119441 952490566 /nfs/dbraw/zinc/49/05/66/952490566.db2.gz AVNGBFAWUNUYIS-QMMMGPOBSA-N -1 1 375.780 0.697 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(Cl)no1 ZINC001571119441 952490571 /nfs/dbraw/zinc/49/05/71/952490571.db2.gz AVNGBFAWUNUYIS-QMMMGPOBSA-N -1 1 375.780 0.697 20 0 GCADMM CC(C)(F)C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571119774 952494534 /nfs/dbraw/zinc/49/45/34/952494534.db2.gz FMZOPICWFZZKRV-MRXNPFEDSA-N -1 1 376.396 0.213 20 0 GCADMM CC(C)(F)C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571119774 952494538 /nfs/dbraw/zinc/49/45/38/952494538.db2.gz FMZOPICWFZZKRV-MRXNPFEDSA-N -1 1 376.396 0.213 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571119840 952495350 /nfs/dbraw/zinc/49/53/50/952495350.db2.gz FNSBKILIRRZGEZ-QMMMGPOBSA-N -1 1 375.780 0.649 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571119840 952495355 /nfs/dbraw/zinc/49/53/55/952495355.db2.gz FNSBKILIRRZGEZ-QMMMGPOBSA-N -1 1 375.780 0.649 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575200658 952498091 /nfs/dbraw/zinc/49/80/91/952498091.db2.gz JZLXDOSAICVKCK-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575200658 952498094 /nfs/dbraw/zinc/49/80/94/952498094.db2.gz JZLXDOSAICVKCK-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2(F)F)n1 ZINC001571120122 952498972 /nfs/dbraw/zinc/49/89/72/952498972.db2.gz HYNTUCNQASBEBU-AXFHLTTASA-N -1 1 376.371 0.800 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2(F)F)n1 ZINC001571120122 952498974 /nfs/dbraw/zinc/49/89/74/952498974.db2.gz HYNTUCNQASBEBU-AXFHLTTASA-N -1 1 376.371 0.800 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC2(F)F)n1 ZINC001571120131 952499056 /nfs/dbraw/zinc/49/90/56/952499056.db2.gz HYNTUCNQASBEBU-OUAUKWLOSA-N -1 1 376.371 0.800 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC2(F)F)n1 ZINC001571120131 952499060 /nfs/dbraw/zinc/49/90/60/952499060.db2.gz HYNTUCNQASBEBU-OUAUKWLOSA-N -1 1 376.371 0.800 20 0 GCADMM COC(=O)[C@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)CC1CCCC1 ZINC001571120341 952501717 /nfs/dbraw/zinc/50/17/17/952501717.db2.gz LGCRYCNMMRQZOL-JQWIXIFHSA-N -1 1 376.421 0.505 20 0 GCADMM COCCN1C[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1=O ZINC001571120481 952503700 /nfs/dbraw/zinc/50/37/00/952503700.db2.gz NJEHWHSRZMSHFB-SNVBAGLBSA-N -1 1 376.421 0.252 20 0 GCADMM COCCN1C[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1=O ZINC001571120481 952503707 /nfs/dbraw/zinc/50/37/07/952503707.db2.gz NJEHWHSRZMSHFB-SNVBAGLBSA-N -1 1 376.421 0.252 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571120722 952507345 /nfs/dbraw/zinc/50/73/45/952507345.db2.gz QDGDTSLKJBDCPS-CMPLNLGQSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571120722 952507354 /nfs/dbraw/zinc/50/73/54/952507354.db2.gz QDGDTSLKJBDCPS-CMPLNLGQSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571120726 952507527 /nfs/dbraw/zinc/50/75/27/952507527.db2.gz QDGDTSLKJBDCPS-PWSUYJOCSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571120726 952507532 /nfs/dbraw/zinc/50/75/32/952507532.db2.gz QDGDTSLKJBDCPS-PWSUYJOCSA-N -1 1 376.396 0.434 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571120769 952508138 /nfs/dbraw/zinc/50/81/38/952508138.db2.gz PNCLDOAIBMFKLQ-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571120769 952508144 /nfs/dbraw/zinc/50/81/44/952508144.db2.gz PNCLDOAIBMFKLQ-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cc(Cl)no3)C2)n1 ZINC001571120754 952508772 /nfs/dbraw/zinc/50/87/72/952508772.db2.gz PHPNLOGTDQOIAW-QMMMGPOBSA-N -1 1 375.780 0.933 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cc(Cl)no3)C2)n1 ZINC001571120754 952508776 /nfs/dbraw/zinc/50/87/76/952508776.db2.gz PHPNLOGTDQOIAW-QMMMGPOBSA-N -1 1 375.780 0.933 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575202019 952510588 /nfs/dbraw/zinc/51/05/88/952510588.db2.gz MBEAEFVNXFYZLQ-KBNOKHGBSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575202019 952510592 /nfs/dbraw/zinc/51/05/92/952510592.db2.gz MBEAEFVNXFYZLQ-KBNOKHGBSA-N -1 1 380.412 0.679 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@H]1CCC(F)(F)C1 ZINC001571121020 952513152 /nfs/dbraw/zinc/51/31/52/952513152.db2.gz VDFPJKKHSBTUNS-QISWUMQESA-N -1 1 376.371 0.643 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@H]1CCC(F)(F)C1 ZINC001571121020 952513156 /nfs/dbraw/zinc/51/31/56/952513156.db2.gz VDFPJKKHSBTUNS-QISWUMQESA-N -1 1 376.371 0.643 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575202312 952513559 /nfs/dbraw/zinc/51/35/59/952513559.db2.gz VHDWXCVDPFWVHT-LBPRGKRZSA-N -1 1 384.448 0.164 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575202759 952516285 /nfs/dbraw/zinc/51/62/85/952516285.db2.gz XUPMTSRJNXKYSB-GFCCVEGCSA-N -1 1 384.448 0.164 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575202759 952516289 /nfs/dbraw/zinc/51/62/89/952516289.db2.gz XUPMTSRJNXKYSB-GFCCVEGCSA-N -1 1 384.448 0.164 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001571121379 952520661 /nfs/dbraw/zinc/52/06/61/952520661.db2.gz ZXZUEGDCOKIJDV-MGPLVRAMSA-N -1 1 376.396 0.116 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001571121379 952520670 /nfs/dbraw/zinc/52/06/70/952520670.db2.gz ZXZUEGDCOKIJDV-MGPLVRAMSA-N -1 1 376.396 0.116 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001571121378 952520740 /nfs/dbraw/zinc/52/07/40/952520740.db2.gz ZXZUEGDCOKIJDV-HWPZZCPQSA-N -1 1 376.396 0.116 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001571121378 952520748 /nfs/dbraw/zinc/52/07/48/952520748.db2.gz ZXZUEGDCOKIJDV-HWPZZCPQSA-N -1 1 376.396 0.116 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575205514 952525686 /nfs/dbraw/zinc/52/56/86/952525686.db2.gz AQMPCDFBQJEQJS-RTXFEEFZSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575205514 952525688 /nfs/dbraw/zinc/52/56/88/952525688.db2.gz AQMPCDFBQJEQJS-RTXFEEFZSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575205960 952527059 /nfs/dbraw/zinc/52/70/59/952527059.db2.gz FZVWWVGKZMQAIS-RTXFEEFZSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575205960 952527066 /nfs/dbraw/zinc/52/70/66/952527066.db2.gz FZVWWVGKZMQAIS-RTXFEEFZSA-N -1 1 382.432 0.328 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571123140 952529738 /nfs/dbraw/zinc/52/97/38/952529738.db2.gz QCYRACJVETWSOF-NWDGAFQWSA-N -1 1 376.442 0.382 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575207118 952532390 /nfs/dbraw/zinc/53/23/90/952532390.db2.gz NUTKVVDMYFGGEI-NEPJUHHUSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575207118 952532394 /nfs/dbraw/zinc/53/23/94/952532394.db2.gz NUTKVVDMYFGGEI-NEPJUHHUSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575207472 952533603 /nfs/dbraw/zinc/53/36/03/952533603.db2.gz QHENPSNCLFXONW-NEPJUHHUSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575207472 952533605 /nfs/dbraw/zinc/53/36/05/952533605.db2.gz QHENPSNCLFXONW-NEPJUHHUSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575207893 952536076 /nfs/dbraw/zinc/53/60/76/952536076.db2.gz VGCCXLZDHWWXCW-WCFLWFBJSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575207893 952536081 /nfs/dbraw/zinc/53/60/81/952536081.db2.gz VGCCXLZDHWWXCW-WCFLWFBJSA-N -1 1 382.432 0.328 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCc2cccnc21 ZINC001571126989 952548167 /nfs/dbraw/zinc/54/81/67/952548167.db2.gz BNRGVEJNYGLMFS-JHJVBQTASA-N -1 1 377.412 0.841 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCc2cccnc21 ZINC001571126989 952548173 /nfs/dbraw/zinc/54/81/73/952548173.db2.gz BNRGVEJNYGLMFS-JHJVBQTASA-N -1 1 377.412 0.841 20 0 GCADMM Cc1cncc(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)c1 ZINC001571127028 952548837 /nfs/dbraw/zinc/54/88/37/952548837.db2.gz CXLXDRKBRDQSGK-OKILXGFUSA-N -1 1 377.412 0.569 20 0 GCADMM Cc1cncc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)c1 ZINC001571127028 952548846 /nfs/dbraw/zinc/54/88/46/952548846.db2.gz CXLXDRKBRDQSGK-OKILXGFUSA-N -1 1 377.412 0.569 20 0 GCADMM Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571127035 952549028 /nfs/dbraw/zinc/54/90/28/952549028.db2.gz DFBSEZQNDOMMQP-ZLDLUXBVSA-N -1 1 377.412 0.900 20 0 GCADMM Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571127035 952549033 /nfs/dbraw/zinc/54/90/33/952549033.db2.gz DFBSEZQNDOMMQP-ZLDLUXBVSA-N -1 1 377.412 0.900 20 0 GCADMM O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571127151 952551656 /nfs/dbraw/zinc/55/16/56/952551656.db2.gz HFHAFOMSFDXAQY-UONOGXRCSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571127151 952551658 /nfs/dbraw/zinc/55/16/58/952551658.db2.gz HFHAFOMSFDXAQY-UONOGXRCSA-N -1 1 377.412 0.793 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571127506 952557039 /nfs/dbraw/zinc/55/70/39/952557039.db2.gz LIGOWGRNXDZCGU-AATLWQCWSA-N -1 1 377.430 0.500 20 0 GCADMM Cc1ccncc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571127753 952559928 /nfs/dbraw/zinc/55/99/28/952559928.db2.gz MOCKPLYZVCWSFP-BETUJISGSA-N -1 1 377.412 0.569 20 0 GCADMM Cc1ccncc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571127753 952559934 /nfs/dbraw/zinc/55/99/34/952559934.db2.gz MOCKPLYZVCWSFP-BETUJISGSA-N -1 1 377.412 0.569 20 0 GCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)NC1CCS(=O)(=O)CC1 ZINC001571128086 952563357 /nfs/dbraw/zinc/56/33/57/952563357.db2.gz OWAUCZYJHJCYKS-UHFFFAOYSA-N -1 1 377.839 0.675 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571128099 952563580 /nfs/dbraw/zinc/56/35/80/952563580.db2.gz PKISTNOYMPJBJH-QMMMGPOBSA-N -1 1 377.459 0.882 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)cn1 ZINC001571128164 952565008 /nfs/dbraw/zinc/56/50/08/952565008.db2.gz PNOKFGIXMLFNTC-DZGCQCFKSA-N -1 1 377.412 0.711 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)cn1 ZINC001571128164 952565013 /nfs/dbraw/zinc/56/50/13/952565013.db2.gz PNOKFGIXMLFNTC-DZGCQCFKSA-N -1 1 377.412 0.711 20 0 GCADMM Cc1nsc(N(C)C[C@H]2CCN(C(=O)[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571128343 952566160 /nfs/dbraw/zinc/56/61/60/952566160.db2.gz RIQDQFULVMJZID-NEPJUHHUSA-N -1 1 377.474 0.953 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001575214665 952566236 /nfs/dbraw/zinc/56/62/36/952566236.db2.gz NPQKWHUJFFDMOF-UHFFFAOYSA-N -1 1 384.391 0.571 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001575214665 952566240 /nfs/dbraw/zinc/56/62/40/952566240.db2.gz NPQKWHUJFFDMOF-UHFFFAOYSA-N -1 1 384.391 0.571 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001575214925 952566675 /nfs/dbraw/zinc/56/66/75/952566675.db2.gz PQJFZGUTKUAIGC-ZJUUUORDSA-N -1 1 382.375 0.004 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001575214925 952566678 /nfs/dbraw/zinc/56/66/78/952566678.db2.gz PQJFZGUTKUAIGC-ZJUUUORDSA-N -1 1 382.375 0.004 20 0 GCADMM O=C(c1cccnc1)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571128889 952572364 /nfs/dbraw/zinc/57/23/64/952572364.db2.gz XNCTWRLUQBWBIG-UONOGXRCSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1cccnc1)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571128889 952572367 /nfs/dbraw/zinc/57/23/67/952572367.db2.gz XNCTWRLUQBWBIG-UONOGXRCSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1cc(F)ccc1F ZINC001571129216 952573488 /nfs/dbraw/zinc/57/34/88/952573488.db2.gz BGAKZTJRUJXFMC-UHFFFAOYSA-N -1 1 378.299 0.229 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(F)[C@H](CNC(=O)C3CC3)C2)n1 ZINC001571129552 952575152 /nfs/dbraw/zinc/57/51/52/952575152.db2.gz GWDULNPTFKCBPX-LLVKDONJSA-N -1 1 378.387 0.953 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)(F)[C@H](CNC(=O)C3CC3)C2)n1 ZINC001571129552 952575154 /nfs/dbraw/zinc/57/51/54/952575154.db2.gz GWDULNPTFKCBPX-LLVKDONJSA-N -1 1 378.387 0.953 20 0 GCADMM CC1(C)CN(C(=O)C2(C(F)F)CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571129659 952575912 /nfs/dbraw/zinc/57/59/12/952575912.db2.gz HCLFRJHBXXYQLY-SECBINFHSA-N -1 1 378.387 0.773 20 0 GCADMM O=C([C@@H]1COc2ccccc21)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130246 952579485 /nfs/dbraw/zinc/57/94/85/952579485.db2.gz QWHCACOXLVZMRJ-DGCLKSJQSA-N -1 1 378.396 0.268 20 0 GCADMM O=S(=O)(NC[C@H](O)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001571130519 952580974 /nfs/dbraw/zinc/58/09/74/952580974.db2.gz SDRKJXFGZHQIQK-LLVKDONJSA-N -1 1 378.389 0.283 20 0 GCADMM O=S(=O)(NC[C@H](O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001571130519 952580979 /nfs/dbraw/zinc/58/09/79/952580979.db2.gz SDRKJXFGZHQIQK-LLVKDONJSA-N -1 1 378.389 0.283 20 0 GCADMM O=C([C@@H]1COc2ccccc21)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571130673 952581089 /nfs/dbraw/zinc/58/10/89/952581089.db2.gz UFKILJVOXXCVSA-CYBMUJFWSA-N -1 1 378.396 0.482 20 0 GCADMM CCOC(=O)[C@@](C)(CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC001571134738 952595217 /nfs/dbraw/zinc/59/52/17/952595217.db2.gz KVBLRJZFOAMNPP-BDJLRTHQSA-N -1 1 378.437 0.751 20 0 GCADMM CCc1ccccc1CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135190 952600526 /nfs/dbraw/zinc/60/05/26/952600526.db2.gz QWJXDUBMGFJZNZ-HNNXBMFYSA-N -1 1 378.440 0.897 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135687 952606573 /nfs/dbraw/zinc/60/65/73/952606573.db2.gz AZIFPFGIFYIWOT-XJKSGUPXSA-N -1 1 378.412 0.416 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135687 952606578 /nfs/dbraw/zinc/60/65/78/952606578.db2.gz AZIFPFGIFYIWOT-XJKSGUPXSA-N -1 1 378.412 0.416 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)cn1 ZINC001571135707 952607852 /nfs/dbraw/zinc/60/78/52/952607852.db2.gz BLAQFXWDVKLNBO-WCQYABFASA-N -1 1 378.400 0.106 20 0 GCADMM CC(C)(F)C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135844 952608852 /nfs/dbraw/zinc/60/88/52/952608852.db2.gz GAOWFPMPSLZDJA-LLVKDONJSA-N -1 1 378.412 0.195 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1ccccc1O ZINC001571135945 952611250 /nfs/dbraw/zinc/61/12/50/952611250.db2.gz IYEIWCIHRMDXPI-RTXFEEFZSA-N -1 1 378.396 0.902 20 0 GCADMM CCCN(C(=O)CN1CCC(=O)NC1=O)c1snc(C)c1-c1nnn[n-]1 ZINC001571136077 952612298 /nfs/dbraw/zinc/61/22/98/952612298.db2.gz LVEDXMLCSNTHTO-UHFFFAOYSA-N -1 1 378.418 0.317 20 0 GCADMM CCCN(C(=O)CN1CCC(=O)NC1=O)c1snc(C)c1-c1nn[n-]n1 ZINC001571136077 952612301 /nfs/dbraw/zinc/61/23/01/952612301.db2.gz LVEDXMLCSNTHTO-UHFFFAOYSA-N -1 1 378.418 0.317 20 0 GCADMM O=C(c1cncnc1)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571136170 952613082 /nfs/dbraw/zinc/61/30/82/952613082.db2.gz NSJUZTCKIGALDM-QGZVFWFLSA-N -1 1 378.400 0.189 20 0 GCADMM O=C(c1cncnc1)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571136170 952613086 /nfs/dbraw/zinc/61/30/86/952613086.db2.gz NSJUZTCKIGALDM-QGZVFWFLSA-N -1 1 378.400 0.189 20 0 GCADMM O=C(c1ccncn1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571136164 952613380 /nfs/dbraw/zinc/61/33/80/952613380.db2.gz NQJJIAPRNIDJLX-TXEJJXNPSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1ccncn1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571136164 952613383 /nfs/dbraw/zinc/61/33/83/952613383.db2.gz NQJJIAPRNIDJLX-TXEJJXNPSA-N -1 1 378.400 0.330 20 0 GCADMM CC[C@H](F)C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136383 952613649 /nfs/dbraw/zinc/61/36/49/952613649.db2.gz OZBPDWFZDJBQJN-NEPJUHHUSA-N -1 1 378.412 0.195 20 0 GCADMM CC[C@H](F)C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136383 952613652 /nfs/dbraw/zinc/61/36/52/952613652.db2.gz OZBPDWFZDJBQJN-NEPJUHHUSA-N -1 1 378.412 0.195 20 0 GCADMM CC[C@@H](F)C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136384 952614389 /nfs/dbraw/zinc/61/43/89/952614389.db2.gz OZBPDWFZDJBQJN-NWDGAFQWSA-N -1 1 378.412 0.195 20 0 GCADMM CC[C@@H](F)C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136384 952614391 /nfs/dbraw/zinc/61/43/91/952614391.db2.gz OZBPDWFZDJBQJN-NWDGAFQWSA-N -1 1 378.412 0.195 20 0 GCADMM O=C(c1ncccc1O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571138967 952618562 /nfs/dbraw/zinc/61/85/62/952618562.db2.gz AHXPLPCKRHIPNO-WDEREUQCSA-N -1 1 379.384 0.108 20 0 GCADMM O=C(c1ncccc1[O-])N1CC[C@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]21 ZINC001571138967 952618565 /nfs/dbraw/zinc/61/85/65/952618565.db2.gz AHXPLPCKRHIPNO-WDEREUQCSA-N -1 1 379.384 0.108 20 0 GCADMM O=C(Nc1cnc(N2C[C@H]3CC[C@@H](C2)O3)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571139286 952619164 /nfs/dbraw/zinc/61/91/64/952619164.db2.gz FCXDYBRLFLVXSN-BETUJISGSA-N -1 1 379.384 0.672 20 0 GCADMM O=C(Nc1cnc(N2C[C@H]3CC[C@@H](C2)O3)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571139286 952619168 /nfs/dbraw/zinc/61/91/68/952619168.db2.gz FCXDYBRLFLVXSN-BETUJISGSA-N -1 1 379.384 0.672 20 0 GCADMM NC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571139446 952620193 /nfs/dbraw/zinc/62/01/93/952620193.db2.gz HTNYWFWTKCBXJG-GFCCVEGCSA-N -1 1 379.384 0.082 20 0 GCADMM NC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571139446 952620195 /nfs/dbraw/zinc/62/01/95/952620195.db2.gz HTNYWFWTKCBXJG-GFCCVEGCSA-N -1 1 379.384 0.082 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[nH]n2)cn1)c1ncccc1[O-] ZINC001571140009 952622204 /nfs/dbraw/zinc/62/22/04/952622204.db2.gz NBDMXOPRUGKWEW-FOGDFJRCSA-N -1 1 379.384 0.297 20 0 GCADMM O=C(c1cccc(=O)[nH]1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571140462 952626052 /nfs/dbraw/zinc/62/60/52/952626052.db2.gz RECKLVZKZBJLSU-GXFFZTMASA-N -1 1 379.384 0.108 20 0 GCADMM O=C(c1cccc(=O)[nH]1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571140462 952626054 /nfs/dbraw/zinc/62/60/54/952626054.db2.gz RECKLVZKZBJLSU-GXFFZTMASA-N -1 1 379.384 0.108 20 0 GCADMM O=C(c1coc(C2CC2)n1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571141283 952632696 /nfs/dbraw/zinc/63/26/96/952632696.db2.gz XCOYBCVPKOWJQZ-QWRGUYRKSA-N -1 1 379.384 0.625 20 0 GCADMM O=C(c1coc(C2CC2)n1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571141283 952632699 /nfs/dbraw/zinc/63/26/99/952632699.db2.gz XCOYBCVPKOWJQZ-QWRGUYRKSA-N -1 1 379.384 0.625 20 0 GCADMM CC(C)C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC001571141456 952633704 /nfs/dbraw/zinc/63/37/04/952633704.db2.gz GZRNLHHPUADMHL-LBPRGKRZSA-N -1 1 378.458 0.932 20 0 GCADMM CC(C)C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC001571141456 952633709 /nfs/dbraw/zinc/63/37/09/952633709.db2.gz GZRNLHHPUADMHL-LBPRGKRZSA-N -1 1 378.458 0.932 20 0 GCADMM O=C(CO[C@H]1CCOC1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571142316 952639956 /nfs/dbraw/zinc/63/99/56/952639956.db2.gz OXWOZMWWXBDZSB-LBPRGKRZSA-N -1 1 378.458 0.378 20 0 GCADMM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571142725 952645324 /nfs/dbraw/zinc/64/53/24/952645324.db2.gz WRLQDPPFWIWDSS-TVQRCGJNSA-N -1 1 378.458 0.600 20 0 GCADMM Cc1cnccc1CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571146104 952647629 /nfs/dbraw/zinc/64/76/29/952647629.db2.gz CPOZWQVXDYHEII-UHFFFAOYSA-N -1 1 379.428 0.426 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cc2c([nH]1)CCC2 ZINC001571146364 952649217 /nfs/dbraw/zinc/64/92/17/952649217.db2.gz GRNHUFIVUPMEDW-NSHDSACASA-N -1 1 379.428 0.730 20 0 GCADMM Cc1cnccc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571146553 952650488 /nfs/dbraw/zinc/65/04/88/952650488.db2.gz INQMMDRQTNJJQY-ZIAGYGMSSA-N -1 1 379.428 0.935 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001571146955 952655043 /nfs/dbraw/zinc/65/50/43/952655043.db2.gz DQTIOFFZHOVYJO-ZDUSSCGKSA-N -1 1 379.428 0.724 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001571146955 952655044 /nfs/dbraw/zinc/65/50/44/952655044.db2.gz DQTIOFFZHOVYJO-ZDUSSCGKSA-N -1 1 379.428 0.724 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]cc2C)n1 ZINC001571146989 952655064 /nfs/dbraw/zinc/65/50/64/952655064.db2.gz FUAQDBDBDBOZRG-ATCWAGBWSA-N -1 1 379.428 0.720 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]cc2C)n1 ZINC001571146989 952655066 /nfs/dbraw/zinc/65/50/66/952655066.db2.gz FUAQDBDBDBOZRG-ATCWAGBWSA-N -1 1 379.428 0.720 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001571147117 952657350 /nfs/dbraw/zinc/65/73/50/952657350.db2.gz GSOLPCCUQOLNOW-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571147117 952657355 /nfs/dbraw/zinc/65/73/55/952657355.db2.gz GSOLPCCUQOLNOW-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM O=C(c1cc2c([nH]1)CCC2)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571147430 952661354 /nfs/dbraw/zinc/66/13/54/952661354.db2.gz XUWGUCMBVFRQJZ-GFCCVEGCSA-N -1 1 379.428 0.612 20 0 GCADMM O=C(c1cc2c([nH]1)CCCC2)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571147460 952661596 /nfs/dbraw/zinc/66/15/96/952661596.db2.gz YYFJOSJVMDRJPR-UHFFFAOYSA-N -1 1 379.428 0.826 20 0 GCADMM O=C(c1cc2c([nH]1)CCCC2)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571147460 952661598 /nfs/dbraw/zinc/66/15/98/952661598.db2.gz YYFJOSJVMDRJPR-UHFFFAOYSA-N -1 1 379.428 0.826 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccncc2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571147744 952663321 /nfs/dbraw/zinc/66/33/21/952663321.db2.gz PISZQDGFDVLFMY-JSGCOSHPSA-N -1 1 379.428 0.826 20 0 GCADMM CCc1[nH]ccc1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571147749 952663417 /nfs/dbraw/zinc/66/34/17/952663417.db2.gz PKWZPEYATPOCRF-TXEJJXNPSA-N -1 1 379.428 0.756 20 0 GCADMM CCc1[nH]ccc1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571147749 952663419 /nfs/dbraw/zinc/66/34/19/952663419.db2.gz PKWZPEYATPOCRF-TXEJJXNPSA-N -1 1 379.428 0.756 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccncc1 ZINC001571148051 952665723 /nfs/dbraw/zinc/66/57/23/952665723.db2.gz UDDFEECCDDRODG-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccncc1 ZINC001571148051 952665728 /nfs/dbraw/zinc/66/57/28/952665728.db2.gz UDDFEECCDDRODG-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)c4ccn(C)c4)C[C@@H]3C2)n1 ZINC001571148451 952667124 /nfs/dbraw/zinc/66/71/24/952667124.db2.gz ZVPNXQBGLSQRPT-OKILXGFUSA-N -1 1 379.428 0.512 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)c4ccn(C)c4)C[C@@H]3C2)n1 ZINC001571148451 952667126 /nfs/dbraw/zinc/66/71/26/952667126.db2.gz ZVPNXQBGLSQRPT-OKILXGFUSA-N -1 1 379.428 0.512 20 0 GCADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)[C@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571150856 952671337 /nfs/dbraw/zinc/67/13/37/952671337.db2.gz HQHAJDPEURAWOM-GHMZBOCLSA-N -1 1 379.446 0.084 20 0 GCADMM Cc1nsc(N2CC[C@H](N(C)C(=O)[C@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571150859 952671705 /nfs/dbraw/zinc/67/17/05/952671705.db2.gz HQHAJDPEURAWOM-WDEREUQCSA-N -1 1 379.446 0.084 20 0 GCADMM O=C(NCCn1cnccc1=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001571153359 952686441 /nfs/dbraw/zinc/68/64/41/952686441.db2.gz PNQRSSBIZWEVAN-UHFFFAOYSA-N -1 1 380.290 0.267 20 0 GCADMM CCOc1ccccc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571155091 952692573 /nfs/dbraw/zinc/69/25/73/952692573.db2.gz HNHRDRJJDNPGPG-TXEJJXNPSA-N -1 1 380.412 0.850 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)cc1F ZINC001571155177 952693698 /nfs/dbraw/zinc/69/36/98/952693698.db2.gz JWHOZCFGAJPJIP-ATCWAGBWSA-N -1 1 380.387 0.969 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)cc1F ZINC001571155177 952693700 /nfs/dbraw/zinc/69/37/00/952693700.db2.gz JWHOZCFGAJPJIP-ATCWAGBWSA-N -1 1 380.387 0.969 20 0 GCADMM CCc1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571155535 952697598 /nfs/dbraw/zinc/69/75/98/952697598.db2.gz VSBGXMJGLHEYSL-CABCVRRESA-N -1 1 380.412 0.199 20 0 GCADMM CCc1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571155535 952697601 /nfs/dbraw/zinc/69/76/01/952697601.db2.gz VSBGXMJGLHEYSL-CABCVRRESA-N -1 1 380.412 0.199 20 0 GCADMM COCc1ccccc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571155550 952698980 /nfs/dbraw/zinc/69/89/80/952698980.db2.gz WHUADKWFXLJMDC-BETUJISGSA-N -1 1 380.412 0.598 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571155991 952699507 /nfs/dbraw/zinc/69/95/07/952699507.db2.gz AFHXZUUFDFZGES-ABAIWWIYSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571155991 952699508 /nfs/dbraw/zinc/69/95/08/952699508.db2.gz AFHXZUUFDFZGES-ABAIWWIYSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571156008 952701403 /nfs/dbraw/zinc/70/14/03/952701403.db2.gz AQSKPXGZSOANSP-CQSZACIVSA-N -1 1 379.428 0.688 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571156008 952701410 /nfs/dbraw/zinc/70/14/10/952701410.db2.gz AQSKPXGZSOANSP-CQSZACIVSA-N -1 1 379.428 0.688 20 0 GCADMM Cc1ccncc1CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571156738 952704897 /nfs/dbraw/zinc/70/48/97/952704897.db2.gz IJYWXBPKTNURNN-TZMCWYRMSA-N -1 1 379.428 0.284 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3cccnc3C)C2)n1 ZINC001571157266 952706744 /nfs/dbraw/zinc/70/67/44/952706744.db2.gz OMVIAKSIKSDEJA-AWEZNQCLSA-N -1 1 379.428 0.924 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3cccnc3C)C2)n1 ZINC001571157266 952706746 /nfs/dbraw/zinc/70/67/46/952706746.db2.gz OMVIAKSIKSDEJA-AWEZNQCLSA-N -1 1 379.428 0.924 20 0 GCADMM Cc1cc(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)ccn1 ZINC001571158925 952715991 /nfs/dbraw/zinc/71/59/91/952715991.db2.gz UKWAJKQXASQECB-UHFFFAOYSA-N -1 1 379.428 0.935 20 0 GCADMM Cc1ccccc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571159259 952718019 /nfs/dbraw/zinc/71/80/19/952718019.db2.gz SHVHXYQLMPRIIM-ZDUSSCGKSA-N -1 1 380.412 0.600 20 0 GCADMM Cc1ccccc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571159259 952718023 /nfs/dbraw/zinc/71/80/23/952718023.db2.gz SHVHXYQLMPRIIM-ZDUSSCGKSA-N -1 1 380.412 0.600 20 0 GCADMM COc1ccc(CC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571159315 952718230 /nfs/dbraw/zinc/71/82/30/952718230.db2.gz UIZOKWVCVCQILL-ZDUSSCGKSA-N -1 1 380.412 0.921 20 0 GCADMM COc1ccc(CC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571159315 952718239 /nfs/dbraw/zinc/71/82/39/952718239.db2.gz UIZOKWVCVCQILL-ZDUSSCGKSA-N -1 1 380.412 0.921 20 0 GCADMM Cc1ccccc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571159258 952718902 /nfs/dbraw/zinc/71/89/02/952718902.db2.gz SHVHXYQLMPRIIM-CYBMUJFWSA-N -1 1 380.412 0.600 20 0 GCADMM Cc1ccccc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571159258 952718905 /nfs/dbraw/zinc/71/89/05/952718905.db2.gz SHVHXYQLMPRIIM-CYBMUJFWSA-N -1 1 380.412 0.600 20 0 GCADMM Cc1ccncc1C(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571159623 952721120 /nfs/dbraw/zinc/72/11/20/952721120.db2.gz VELSMILZCSQLDO-CHWSQXEVSA-N -1 1 379.428 0.793 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571161785 952734367 /nfs/dbraw/zinc/73/43/67/952734367.db2.gz ACAQTTXZMIOCKD-ZYHUDNBSSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571161785 952734368 /nfs/dbraw/zinc/73/43/68/952734368.db2.gz ACAQTTXZMIOCKD-ZYHUDNBSSA-N -1 1 380.416 0.372 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571161834 952734967 /nfs/dbraw/zinc/73/49/67/952734967.db2.gz BRFASTLXCPDMLQ-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571161834 952734971 /nfs/dbraw/zinc/73/49/71/952734971.db2.gz BRFASTLXCPDMLQ-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1ccnnc1)c1nccnc1-c1nnn[n-]1 ZINC001571161815 952734983 /nfs/dbraw/zinc/73/49/83/952734983.db2.gz BDTZYZZVFLHVEI-ZDUSSCGKSA-N -1 1 380.416 0.578 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1ccnnc1)c1nccnc1-c1nn[n-]n1 ZINC001571161815 952734987 /nfs/dbraw/zinc/73/49/87/952734987.db2.gz BDTZYZZVFLHVEI-ZDUSSCGKSA-N -1 1 380.416 0.578 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)ncn1 ZINC001571161824 952735026 /nfs/dbraw/zinc/73/50/26/952735026.db2.gz BHFWUBXBQASITG-ZDUSSCGKSA-N -1 1 380.416 0.400 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)ncn1 ZINC001571161824 952735029 /nfs/dbraw/zinc/73/50/29/952735029.db2.gz BHFWUBXBQASITG-ZDUSSCGKSA-N -1 1 380.416 0.400 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571161836 952735287 /nfs/dbraw/zinc/73/52/87/952735287.db2.gz BSMBVIKVOOFIQF-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571161836 952735288 /nfs/dbraw/zinc/73/52/88/952735288.db2.gz BSMBVIKVOOFIQF-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccnc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571161909 952736231 /nfs/dbraw/zinc/73/62/31/952736231.db2.gz DURVCUQCYVZJAM-NWDGAFQWSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ccnc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571161909 952736235 /nfs/dbraw/zinc/73/62/35/952736235.db2.gz DURVCUQCYVZJAM-NWDGAFQWSA-N -1 1 380.416 0.718 20 0 GCADMM CCN(C(=O)c1cnnc(C)c1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571161921 952736318 /nfs/dbraw/zinc/73/63/18/952736318.db2.gz FCZGALOIYQECRM-CYBMUJFWSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1cnnc(C)c1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571161921 952736323 /nfs/dbraw/zinc/73/63/23/952736323.db2.gz FCZGALOIYQECRM-CYBMUJFWSA-N -1 1 380.416 0.496 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnccn2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571161927 952736426 /nfs/dbraw/zinc/73/64/26/952736426.db2.gz FJWXBBAXRLTPGN-NEPJUHHUSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnccn2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571161927 952736428 /nfs/dbraw/zinc/73/64/28/952736428.db2.gz FJWXBBAXRLTPGN-NEPJUHHUSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@H]1CN(C(=O)c2cncnc2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571161880 952736663 /nfs/dbraw/zinc/73/66/63/952736663.db2.gz DEIASNZHZQHDNT-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@H]1CN(C(=O)c2cncnc2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571161880 952736666 /nfs/dbraw/zinc/73/66/66/952736666.db2.gz DEIASNZHZQHDNT-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM CCc1nnc(C)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162029 952736941 /nfs/dbraw/zinc/73/69/41/952736941.db2.gz ICTWZCGKOBTECL-NSHDSACASA-N -1 1 380.416 0.326 20 0 GCADMM Cc1nc[nH]c1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571162010 952737332 /nfs/dbraw/zinc/73/73/32/952737332.db2.gz HOHXGVGSUWVCFV-CNDDSTCGSA-N -1 1 380.416 0.109 20 0 GCADMM Cc1nc[nH]c1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571162010 952737339 /nfs/dbraw/zinc/73/73/39/952737339.db2.gz HOHXGVGSUWVCFV-CNDDSTCGSA-N -1 1 380.416 0.109 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571161975 952737417 /nfs/dbraw/zinc/73/74/17/952737417.db2.gz GRVFPOCFERUXCQ-QWHCGFSZSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571161975 952737424 /nfs/dbraw/zinc/73/74/24/952737424.db2.gz GRVFPOCFERUXCQ-QWHCGFSZSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)cnn1 ZINC001571162002 952737525 /nfs/dbraw/zinc/73/75/25/952737525.db2.gz HGLDWFKFZUGFFJ-AAEUAGOBSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)cnn1 ZINC001571162002 952737528 /nfs/dbraw/zinc/73/75/28/952737528.db2.gz HGLDWFKFZUGFFJ-AAEUAGOBSA-N -1 1 380.416 0.860 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1ccncn1)c1nccnc1-c1nnn[n-]1 ZINC001571161995 952737724 /nfs/dbraw/zinc/73/77/24/952737724.db2.gz HCKHYJVNDHPBSB-LBPRGKRZSA-N -1 1 380.416 0.578 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1ccncn1)c1nccnc1-c1nn[n-]n1 ZINC001571161995 952737727 /nfs/dbraw/zinc/73/77/27/952737727.db2.gz HCKHYJVNDHPBSB-LBPRGKRZSA-N -1 1 380.416 0.578 20 0 GCADMM Cc1ccnc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571162087 952738346 /nfs/dbraw/zinc/73/83/46/952738346.db2.gz JSBLQXPTELEHGQ-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccnc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571162087 952738349 /nfs/dbraw/zinc/73/83/49/952738349.db2.gz JSBLQXPTELEHGQ-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cccnn2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571162095 952738862 /nfs/dbraw/zinc/73/88/62/952738862.db2.gz JVYJZCDWMZWPIX-LBPRGKRZSA-N -1 1 380.416 0.435 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cccnn2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571162095 952738866 /nfs/dbraw/zinc/73/88/66/952738866.db2.gz JVYJZCDWMZWPIX-LBPRGKRZSA-N -1 1 380.416 0.435 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)n1 ZINC001571162056 952738914 /nfs/dbraw/zinc/73/89/14/952738914.db2.gz IWHBZKXAYLIXEJ-SMDDNHRTSA-N -1 1 380.416 0.224 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)n1 ZINC001571162056 952738919 /nfs/dbraw/zinc/73/89/19/952738919.db2.gz IWHBZKXAYLIXEJ-SMDDNHRTSA-N -1 1 380.416 0.224 20 0 GCADMM C[C@H](NC(=O)c1cncnc1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162163 952739543 /nfs/dbraw/zinc/73/95/43/952739543.db2.gz MLCKNFBVESMATO-RYUDHWBXSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@H](NC(=O)c1cncnc1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162163 952739548 /nfs/dbraw/zinc/73/95/48/952739548.db2.gz MLCKNFBVESMATO-RYUDHWBXSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H](C)C2)n1 ZINC001571162234 952740817 /nfs/dbraw/zinc/74/08/17/952740817.db2.gz OFVDGFVOMSHUPS-ZANVPECISA-N -1 1 380.416 0.636 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571162234 952740822 /nfs/dbraw/zinc/74/08/22/952740822.db2.gz OFVDGFVOMSHUPS-ZANVPECISA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)cnn1 ZINC001571162225 952740965 /nfs/dbraw/zinc/74/09/65/952740965.db2.gz OEQCWXOBNQVRPL-DGCLKSJQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)cnn1 ZINC001571162225 952740969 /nfs/dbraw/zinc/74/09/69/952740969.db2.gz OEQCWXOBNQVRPL-DGCLKSJQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571162240 952741064 /nfs/dbraw/zinc/74/10/64/952741064.db2.gz OKZXNYSZBUQRSN-WCQYABFASA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162240 952741071 /nfs/dbraw/zinc/74/10/71/952741071.db2.gz OKZXNYSZBUQRSN-WCQYABFASA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162241 952741263 /nfs/dbraw/zinc/74/12/63/952741263.db2.gz OMDHFGUOQRACBT-NEPJUHHUSA-N -1 1 380.416 0.140 20 0 GCADMM CN(C)c1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)ccn1 ZINC001571162270 952741312 /nfs/dbraw/zinc/74/13/12/952741312.db2.gz PJHBVIJLORYNAX-LBPRGKRZSA-N -1 1 380.416 0.126 20 0 GCADMM CN(C)c1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)ccn1 ZINC001571162270 952741313 /nfs/dbraw/zinc/74/13/13/952741313.db2.gz PJHBVIJLORYNAX-LBPRGKRZSA-N -1 1 380.416 0.126 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571162281 952741801 /nfs/dbraw/zinc/74/18/01/952741801.db2.gz PMKIIXYLZGHZDI-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571162281 952741804 /nfs/dbraw/zinc/74/18/04/952741804.db2.gz PMKIIXYLZGHZDI-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571162293 952742351 /nfs/dbraw/zinc/74/23/51/952742351.db2.gz PTGFHVODFWEUBM-CMPLNLGQSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571162293 952742357 /nfs/dbraw/zinc/74/23/57/952742357.db2.gz PTGFHVODFWEUBM-CMPLNLGQSA-N -1 1 380.416 0.372 20 0 GCADMM CCc1ncncc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571162332 952742399 /nfs/dbraw/zinc/74/23/99/952742399.db2.gz QNPZARIVJNAOOG-LLVKDONJSA-N -1 1 380.416 0.326 20 0 GCADMM CCc1ncncc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571162332 952742403 /nfs/dbraw/zinc/74/24/03/952742403.db2.gz QNPZARIVJNAOOG-LLVKDONJSA-N -1 1 380.416 0.326 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)cnn1 ZINC001571162426 952742620 /nfs/dbraw/zinc/74/26/20/952742620.db2.gz UAAOZQCSDCCAAX-CYBMUJFWSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)cnn1 ZINC001571162426 952742629 /nfs/dbraw/zinc/74/26/29/952742629.db2.gz UAAOZQCSDCCAAX-CYBMUJFWSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)ncn1 ZINC001571162390 952742972 /nfs/dbraw/zinc/74/29/72/952742972.db2.gz SQGIZNBNMHTUJW-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)ncn1 ZINC001571162390 952742979 /nfs/dbraw/zinc/74/29/79/952742979.db2.gz SQGIZNBNMHTUJW-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)cnn1 ZINC001571162427 952743379 /nfs/dbraw/zinc/74/33/79/952743379.db2.gz UAAOZQCSDCCAAX-ZDUSSCGKSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)cnn1 ZINC001571162427 952743383 /nfs/dbraw/zinc/74/33/83/952743383.db2.gz UAAOZQCSDCCAAX-ZDUSSCGKSA-N -1 1 380.416 0.718 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)c1ccnnc1 ZINC001571162468 952743958 /nfs/dbraw/zinc/74/39/58/952743958.db2.gz VBIXTHCOIAWVCC-FZMZJTMJSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)c1ccnnc1 ZINC001571162468 952743959 /nfs/dbraw/zinc/74/39/59/952743959.db2.gz VBIXTHCOIAWVCC-FZMZJTMJSA-N -1 1 380.416 0.942 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)ncn1 ZINC001571162460 952744178 /nfs/dbraw/zinc/74/41/78/952744178.db2.gz USHUSFXYECNSJU-NWDGAFQWSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)ncn1 ZINC001571162460 952744180 /nfs/dbraw/zinc/74/41/80/952744180.db2.gz USHUSFXYECNSJU-NWDGAFQWSA-N -1 1 380.416 0.779 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3cnc(C)cn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571162576 952744248 /nfs/dbraw/zinc/74/42/48/952744248.db2.gz VXUXCJXMTPZIBI-PHIMTYICSA-N -1 1 380.416 0.690 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3cnc(C)cn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571162576 952744254 /nfs/dbraw/zinc/74/42/54/952744254.db2.gz VXUXCJXMTPZIBI-PHIMTYICSA-N -1 1 380.416 0.690 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571162618 952744652 /nfs/dbraw/zinc/74/46/52/952744652.db2.gz WJLNIIRKRCMKJQ-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571162618 952744653 /nfs/dbraw/zinc/74/46/53/952744653.db2.gz WJLNIIRKRCMKJQ-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cnn1 ZINC001571162692 952744941 /nfs/dbraw/zinc/74/49/41/952744941.db2.gz XWYBRQAOALHIFC-YPMHNXCESA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cnn1 ZINC001571162692 952744945 /nfs/dbraw/zinc/74/49/45/952744945.db2.gz XWYBRQAOALHIFC-YPMHNXCESA-N -1 1 380.416 0.766 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C2CC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571162626 952745484 /nfs/dbraw/zinc/74/54/84/952745484.db2.gz WNBTUGOPDDFUAZ-SKDRFNHKSA-N -1 1 380.416 0.654 20 0 GCADMM CCc1nc(NCC2CC(NC(=O)c3cccnn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571162723 952745907 /nfs/dbraw/zinc/74/59/07/952745907.db2.gz YMAXIUULDPCRSM-UHFFFAOYSA-N -1 1 380.416 0.630 20 0 GCADMM CCc1nc(NCC2CC(NC(=O)c3cccnn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571162723 952745909 /nfs/dbraw/zinc/74/59/09/952745909.db2.gz YMAXIUULDPCRSM-UHFFFAOYSA-N -1 1 380.416 0.630 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571165028 952747043 /nfs/dbraw/zinc/74/70/43/952747043.db2.gz BETXKAZWMFZCKN-GFCCVEGCSA-N -1 1 380.416 0.320 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571165028 952747049 /nfs/dbraw/zinc/74/70/49/952747049.db2.gz BETXKAZWMFZCKN-GFCCVEGCSA-N -1 1 380.416 0.320 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571165088 952747283 /nfs/dbraw/zinc/74/72/83/952747283.db2.gz BVZWLOZYKZPDGO-JQWIXIFHSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571165088 952747286 /nfs/dbraw/zinc/74/72/86/952747286.db2.gz BVZWLOZYKZPDGO-JQWIXIFHSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165047 952747365 /nfs/dbraw/zinc/74/73/65/952747365.db2.gz BQJVJIADLDVDEP-CMPLNLGQSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165047 952747371 /nfs/dbraw/zinc/74/73/71/952747371.db2.gz BQJVJIADLDVDEP-CMPLNLGQSA-N -1 1 380.416 0.718 20 0 GCADMM O=C(NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]nc1C1CC1 ZINC001571165095 952747740 /nfs/dbraw/zinc/74/77/40/952747740.db2.gz BWWUXQIDWTZLCF-UHFFFAOYSA-N -1 1 380.416 0.300 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC001571165161 952748159 /nfs/dbraw/zinc/74/81/59/952748159.db2.gz DLOBDYOFOWTGFX-PWSUYJOCSA-N -1 1 380.416 0.282 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001571165195 952748278 /nfs/dbraw/zinc/74/82/78/952748278.db2.gz FPYGVBHEFQSIRS-NWDGAFQWSA-N -1 1 380.416 0.269 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nnn[n-]4)nn2)C3)n1 ZINC001571165200 952748454 /nfs/dbraw/zinc/74/84/54/952748454.db2.gz FTVWQHNHKAGEAA-SRVKXCTJSA-N -1 1 380.416 0.178 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[n-]n4)nn2)C3)n1 ZINC001571165200 952748460 /nfs/dbraw/zinc/74/84/60/952748460.db2.gz FTVWQHNHKAGEAA-SRVKXCTJSA-N -1 1 380.416 0.178 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]nc1C1CC1 ZINC001571165228 952748468 /nfs/dbraw/zinc/74/84/68/952748468.db2.gz GQASEEAWBNICGI-NSHDSACASA-N -1 1 380.416 0.656 20 0 GCADMM Cn1nc2c(c1C(=O)N[C@H]1C[C@@H](Nc3nccnc3-c3nnn[n-]3)C1)CCC2 ZINC001571165165 952748905 /nfs/dbraw/zinc/74/89/05/952748905.db2.gz DPLATVLIWMJJTP-AOOOYVTPSA-N -1 1 380.416 0.252 20 0 GCADMM Cn1nc2c(c1C(=O)N[C@H]1C[C@@H](Nc3nccnc3-c3nn[n-]n3)C1)CCC2 ZINC001571165165 952748906 /nfs/dbraw/zinc/74/89/06/952748906.db2.gz DPLATVLIWMJJTP-AOOOYVTPSA-N -1 1 380.416 0.252 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N([C@H](C)CS(C)(=O)=O)C1CC1 ZINC001571165428 952750354 /nfs/dbraw/zinc/75/03/54/952750354.db2.gz CZPNXJRJFAGXOR-SECBINFHSA-N -1 1 380.430 0.313 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC001571165429 952751118 /nfs/dbraw/zinc/75/11/18/952751118.db2.gz CZPNXJRJFAGXOR-VIFPVBQESA-N -1 1 380.430 0.313 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571165472 952751271 /nfs/dbraw/zinc/75/12/71/952751271.db2.gz HOFJCXDYXMGSIL-ZDUSSCGKSA-N -1 1 380.416 0.126 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571165472 952751275 /nfs/dbraw/zinc/75/12/75/952751275.db2.gz HOFJCXDYXMGSIL-ZDUSSCGKSA-N -1 1 380.416 0.126 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571165802 952754378 /nfs/dbraw/zinc/75/43/78/952754378.db2.gz LGMOIRFKLNADJY-XQQFMLRXSA-N -1 1 380.416 0.027 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571165802 952754386 /nfs/dbraw/zinc/75/43/86/952754386.db2.gz LGMOIRFKLNADJY-XQQFMLRXSA-N -1 1 380.416 0.027 20 0 GCADMM O=C(CCc1ccncn1)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571165822 952754824 /nfs/dbraw/zinc/75/48/24/952754824.db2.gz LPECHRPMCFJFNQ-GFCCVEGCSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(CCc1ccncn1)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571165822 952754826 /nfs/dbraw/zinc/75/48/26/952754826.db2.gz LPECHRPMCFJFNQ-GFCCVEGCSA-N -1 1 380.416 0.340 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571165781 952754949 /nfs/dbraw/zinc/75/49/49/952754949.db2.gz KLDIUDKGGDHPCE-TXEJJXNPSA-N -1 1 380.416 0.192 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571165781 952754956 /nfs/dbraw/zinc/75/49/56/952754956.db2.gz KLDIUDKGGDHPCE-TXEJJXNPSA-N -1 1 380.416 0.192 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1C1CC1 ZINC001571165808 952755208 /nfs/dbraw/zinc/75/52/08/952755208.db2.gz LJFCVZPOMCAPCS-LLVKDONJSA-N -1 1 380.416 0.276 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1C1CC1 ZINC001571165808 952755211 /nfs/dbraw/zinc/75/52/11/952755211.db2.gz LJFCVZPOMCAPCS-LLVKDONJSA-N -1 1 380.416 0.276 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166041 952756854 /nfs/dbraw/zinc/75/68/54/952756854.db2.gz MSRSCOGQXHNBLI-YPMHNXCESA-N -1 1 380.416 0.050 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166041 952756858 /nfs/dbraw/zinc/75/68/58/952756858.db2.gz MSRSCOGQXHNBLI-YPMHNXCESA-N -1 1 380.416 0.050 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166039 952756938 /nfs/dbraw/zinc/75/69/38/952756938.db2.gz MSRSCOGQXHNBLI-WCQYABFASA-N -1 1 380.416 0.050 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166039 952756941 /nfs/dbraw/zinc/75/69/41/952756941.db2.gz MSRSCOGQXHNBLI-WCQYABFASA-N -1 1 380.416 0.050 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cn2c(n1)CCCC2 ZINC001571166087 952757138 /nfs/dbraw/zinc/75/71/38/952757138.db2.gz NIEJNPWUTUILRO-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cn2c(n1)CCCC2 ZINC001571166087 952757140 /nfs/dbraw/zinc/75/71/40/952757140.db2.gz NIEJNPWUTUILRO-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM O=C(CCc1ncccn1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166150 952758537 /nfs/dbraw/zinc/75/85/37/952758537.db2.gz OTTQFJOEHGJCEF-GFCCVEGCSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1ncccn1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166150 952758541 /nfs/dbraw/zinc/75/85/41/952758541.db2.gz OTTQFJOEHGJCEF-GFCCVEGCSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571166160 952758762 /nfs/dbraw/zinc/75/87/62/952758762.db2.gz PDYSXPLOUPTGGY-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571166160 952758763 /nfs/dbraw/zinc/75/87/63/952758763.db2.gz PDYSXPLOUPTGGY-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571166212 952759607 /nfs/dbraw/zinc/75/96/07/952759607.db2.gz QCGORZAGWIXUGS-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571166212 952759611 /nfs/dbraw/zinc/75/96/11/952759611.db2.gz QCGORZAGWIXUGS-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c(C)n1 ZINC001571166291 952759952 /nfs/dbraw/zinc/75/99/52/952759952.db2.gz QKSOBNBITRTLKK-GXFFZTMASA-N -1 1 380.416 0.201 20 0 GCADMM O=C([C@H]1CCc2nccn2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166356 952761130 /nfs/dbraw/zinc/76/11/30/952761130.db2.gz QZAGPQHDTKPWFR-RYUDHWBXSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@H]1CCc2nccn2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166356 952761134 /nfs/dbraw/zinc/76/11/34/952761134.db2.gz QZAGPQHDTKPWFR-RYUDHWBXSA-N -1 1 380.416 0.129 20 0 GCADMM Cc1ncc(C(=O)N[C@@]23CCC[C@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)[nH]1 ZINC001571166490 952761521 /nfs/dbraw/zinc/76/15/21/952761521.db2.gz SRPJFVAUAFMHAU-CXAGYDPISA-N -1 1 380.416 0.620 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166462 952761560 /nfs/dbraw/zinc/76/15/60/952761560.db2.gz RYRWOIBMPXAYGJ-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166462 952761566 /nfs/dbraw/zinc/76/15/66/952761566.db2.gz RYRWOIBMPXAYGJ-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001571166455 952761952 /nfs/dbraw/zinc/76/19/52/952761952.db2.gz RXMVLMRZRXNSST-CHWSQXEVSA-N -1 1 380.416 0.393 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166455 952761956 /nfs/dbraw/zinc/76/19/56/952761956.db2.gz RXMVLMRZRXNSST-CHWSQXEVSA-N -1 1 380.416 0.393 20 0 GCADMM Cc1cnc(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571166437 952762167 /nfs/dbraw/zinc/76/21/67/952762167.db2.gz ROWUWJKPDYPOBV-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)cn1 ZINC001571166521 952762248 /nfs/dbraw/zinc/76/22/48/952762248.db2.gz SUSRFQSFUPDCNR-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)cn1 ZINC001571166521 952762251 /nfs/dbraw/zinc/76/22/51/952762251.db2.gz SUSRFQSFUPDCNR-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571166441 952762260 /nfs/dbraw/zinc/76/22/60/952762260.db2.gz RPPGEQMPWUALKN-QWHCGFSZSA-N -1 1 380.416 0.050 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571166441 952762264 /nfs/dbraw/zinc/76/22/64/952762264.db2.gz RPPGEQMPWUALKN-QWHCGFSZSA-N -1 1 380.416 0.050 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166646 952762779 /nfs/dbraw/zinc/76/27/79/952762779.db2.gz UKJYMKMSFVCFJL-ZDUSSCGKSA-N -1 1 380.416 0.444 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166646 952762783 /nfs/dbraw/zinc/76/27/83/952762783.db2.gz UKJYMKMSFVCFJL-ZDUSSCGKSA-N -1 1 380.416 0.444 20 0 GCADMM O=C(c1cnn2c1CCC2)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571166715 952764306 /nfs/dbraw/zinc/76/43/06/952764306.db2.gz OUESXJFOZNIFSV-UHFFFAOYSA-N -1 1 380.416 0.152 20 0 GCADMM O=C(c1cnn2c1CCC2)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571166715 952764308 /nfs/dbraw/zinc/76/43/08/952764308.db2.gz OUESXJFOZNIFSV-UHFFFAOYSA-N -1 1 380.416 0.152 20 0 GCADMM O=C(Cn1cccn1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571166778 952764957 /nfs/dbraw/zinc/76/49/57/952764957.db2.gz VUBGAGGQQSVWIT-OLZOCXBDSA-N -1 1 380.416 0.123 20 0 GCADMM O=C(Cn1cccn1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571166778 952764963 /nfs/dbraw/zinc/76/49/63/952764963.db2.gz VUBGAGGQQSVWIT-OLZOCXBDSA-N -1 1 380.416 0.123 20 0 GCADMM Cc1ncncc1C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571166815 952764972 /nfs/dbraw/zinc/76/49/72/952764972.db2.gz WLSGWLARTLMFDJ-UHFFFAOYSA-N -1 1 380.416 0.141 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1ccncn1 ZINC001571166784 952765161 /nfs/dbraw/zinc/76/51/61/952765161.db2.gz VVWATZGXQBABMC-VXGBXAGGSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1ccncn1 ZINC001571166784 952765166 /nfs/dbraw/zinc/76/51/66/952765166.db2.gz VVWATZGXQBABMC-VXGBXAGGSA-N -1 1 380.416 0.847 20 0 GCADMM Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001571166780 952765305 /nfs/dbraw/zinc/76/53/05/952765305.db2.gz VVKOFAVMHSXCLB-BETUJISGSA-N -1 1 380.416 0.274 20 0 GCADMM Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001571166780 952765311 /nfs/dbraw/zinc/76/53/11/952765311.db2.gz VVKOFAVMHSXCLB-BETUJISGSA-N -1 1 380.416 0.274 20 0 GCADMM Cc1nnccc1C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166818 952765459 /nfs/dbraw/zinc/76/54/59/952765459.db2.gz WMZYRZSZJRVRTF-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nnccc1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166818 952765462 /nfs/dbraw/zinc/76/54/62/952765462.db2.gz WMZYRZSZJRVRTF-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1c[nH]nc1C1CC1 ZINC001571166849 952766219 /nfs/dbraw/zinc/76/62/19/952766219.db2.gz XWVOBDBNWHBORW-NSHDSACASA-N -1 1 380.416 0.656 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1c[nH]nc1C1CC1 ZINC001571166849 952766224 /nfs/dbraw/zinc/76/62/24/952766224.db2.gz XWVOBDBNWHBORW-NSHDSACASA-N -1 1 380.416 0.656 20 0 GCADMM Cn1ccc(C(=O)N[C@@]23CCC[C@@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571166843 952766754 /nfs/dbraw/zinc/76/67/54/952766754.db2.gz XRBAVUJRWNWDCC-SUMWQHHRSA-N -1 1 380.416 0.322 20 0 GCADMM Cn1ccc(C(=O)N[C@@]23CCC[C@@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571166843 952766756 /nfs/dbraw/zinc/76/67/56/952766756.db2.gz XRBAVUJRWNWDCC-SUMWQHHRSA-N -1 1 380.416 0.322 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC001571166954 952768025 /nfs/dbraw/zinc/76/80/25/952768025.db2.gz ZEHMGGGIOBGMTN-DLOVCJGASA-N -1 1 380.416 0.244 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC001571166954 952768029 /nfs/dbraw/zinc/76/80/29/952768029.db2.gz ZEHMGGGIOBGMTN-DLOVCJGASA-N -1 1 380.416 0.244 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571167062 952768826 /nfs/dbraw/zinc/76/88/26/952768826.db2.gz UQHOFFYEIOATQO-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571167062 952768829 /nfs/dbraw/zinc/76/88/29/952768829.db2.gz UQHOFFYEIOATQO-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM Cc1onc(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1-c1nnn[n-]1 ZINC001571170433 952785855 /nfs/dbraw/zinc/78/58/55/952785855.db2.gz JVOVLVSZLQVNIG-QWHCGFSZSA-N -1 1 381.396 0.433 20 0 GCADMM Cc1onc(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC001571170433 952785858 /nfs/dbraw/zinc/78/58/58/952785858.db2.gz JVOVLVSZLQVNIG-QWHCGFSZSA-N -1 1 381.396 0.433 20 0 GCADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCc1ccc2c(c1)CCC2 ZINC001571170731 952788063 /nfs/dbraw/zinc/78/80/63/952788063.db2.gz LCWIOFYITLUGMI-UHFFFAOYSA-N -1 1 381.396 0.324 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571170795 952788245 /nfs/dbraw/zinc/78/82/45/952788245.db2.gz LPCPBVCRWWEOGA-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571170750 952788367 /nfs/dbraw/zinc/78/83/67/952788367.db2.gz LDFICWVIJBVWRR-ZYHUDNBSSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571170750 952788372 /nfs/dbraw/zinc/78/83/72/952788372.db2.gz LDFICWVIJBVWRR-ZYHUDNBSSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170686 952788505 /nfs/dbraw/zinc/78/85/05/952788505.db2.gz KPANIXCODDWQGM-MNOVXSKESA-N -1 1 381.400 0.863 20 0 GCADMM CCOc1ncccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571170763 952788866 /nfs/dbraw/zinc/78/88/66/952788866.db2.gz LIXZVIJKCFPELO-UHFFFAOYSA-N -1 1 381.400 0.413 20 0 GCADMM CCOc1ncccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571170763 952788869 /nfs/dbraw/zinc/78/88/69/952788869.db2.gz LIXZVIJKCFPELO-UHFFFAOYSA-N -1 1 381.400 0.413 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001571170816 952789123 /nfs/dbraw/zinc/78/91/23/952789123.db2.gz LTEIVXQIZKRCHH-SMDDNHRTSA-N -1 1 381.400 0.393 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001571170816 952789126 /nfs/dbraw/zinc/78/91/26/952789126.db2.gz LTEIVXQIZKRCHH-SMDDNHRTSA-N -1 1 381.400 0.393 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nn[nH]n2)cn1 ZINC001571171047 952790239 /nfs/dbraw/zinc/79/02/39/952790239.db2.gz MLUCFEBIIUUYNS-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C2CC2)on1 ZINC001571171618 952794422 /nfs/dbraw/zinc/79/44/22/952794422.db2.gz UCYJKJCBAHWRRG-GXSJLCMTSA-N -1 1 381.400 0.659 20 0 GCADMM COC(=O)c1occc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001571171577 952795110 /nfs/dbraw/zinc/79/51/10/952795110.db2.gz CSERVNQJPDPJBA-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM COC(=O)c1occc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001571171577 952795114 /nfs/dbraw/zinc/79/51/14/952795114.db2.gz CSERVNQJPDPJBA-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571172819 952808233 /nfs/dbraw/zinc/80/82/33/952808233.db2.gz YJLMPAAPTFAAFO-NTSWFWBYSA-N -1 1 380.825 0.667 20 0 GCADMM C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571172819 952808236 /nfs/dbraw/zinc/80/82/36/952808236.db2.gz YJLMPAAPTFAAFO-NTSWFWBYSA-N -1 1 380.825 0.667 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 ZINC001571174555 952809217 /nfs/dbraw/zinc/80/92/17/952809217.db2.gz AEVUGBRUMHXKFD-NSHDSACASA-N -1 1 381.400 0.873 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 ZINC001571174555 952809225 /nfs/dbraw/zinc/80/92/25/952809225.db2.gz AEVUGBRUMHXKFD-NSHDSACASA-N -1 1 381.400 0.873 20 0 GCADMM Cc1cc(C(=O)N[C@@]23CCC[C@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)no1 ZINC001571174616 952810638 /nfs/dbraw/zinc/81/06/38/952810638.db2.gz CAFJOXMLZXKSHH-SJKOYZFVSA-N -1 1 381.400 0.885 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)no1 ZINC001571174615 952810895 /nfs/dbraw/zinc/81/08/95/952810895.db2.gz CAFJOXMLZXKSHH-SJCJKPOMSA-N -1 1 381.400 0.885 20 0 GCADMM Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(=O)[nH]1 ZINC001571174636 952812019 /nfs/dbraw/zinc/81/20/19/952812019.db2.gz CLRXSTJGMCZZHV-LLVKDONJSA-N -1 1 381.400 0.123 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCN(c2nccnc2C)CC1 ZINC001571174703 952812841 /nfs/dbraw/zinc/81/28/41/952812841.db2.gz FSLBFPLZGGZBJU-UHFFFAOYSA-N -1 1 381.400 0.337 20 0 GCADMM COc1ncccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571174774 952813679 /nfs/dbraw/zinc/81/36/79/952813679.db2.gz HXHNAPMQKOYGNL-ZYHUDNBSSA-N -1 1 381.400 0.315 20 0 GCADMM COc1ncccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571174774 952813685 /nfs/dbraw/zinc/81/36/85/952813685.db2.gz HXHNAPMQKOYGNL-ZYHUDNBSSA-N -1 1 381.400 0.315 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571174752 952814484 /nfs/dbraw/zinc/81/44/84/952814484.db2.gz HGLRQDCZKXGWST-UHFFFAOYSA-N -1 1 381.400 0.331 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571174752 952814489 /nfs/dbraw/zinc/81/44/89/952814489.db2.gz HGLRQDCZKXGWST-UHFFFAOYSA-N -1 1 381.400 0.331 20 0 GCADMM COc1nc(C)ccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571174868 952815445 /nfs/dbraw/zinc/81/54/45/952815445.db2.gz KZXJKNXTDDTPGJ-NSHDSACASA-N -1 1 381.400 0.377 20 0 GCADMM COc1nc(C)ccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571174868 952815449 /nfs/dbraw/zinc/81/54/49/952815449.db2.gz KZXJKNXTDDTPGJ-NSHDSACASA-N -1 1 381.400 0.377 20 0 GCADMM COc1cccnc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571174877 952815763 /nfs/dbraw/zinc/81/57/63/952815763.db2.gz LHKQMRLUHFUBQZ-LLVKDONJSA-N -1 1 381.400 0.316 20 0 GCADMM COc1cccnc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571174877 952815768 /nfs/dbraw/zinc/81/57/68/952815768.db2.gz LHKQMRLUHFUBQZ-LLVKDONJSA-N -1 1 381.400 0.316 20 0 GCADMM Cc1cc(C2(C(=O)N[C@@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)CC2)on1 ZINC001571174818 952816183 /nfs/dbraw/zinc/81/61/83/952816183.db2.gz JBHSOIVHDSCFCA-LLVKDONJSA-N -1 1 381.400 0.380 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)ccn1 ZINC001571174940 952816559 /nfs/dbraw/zinc/81/65/59/952816559.db2.gz NQDGNSKLCSGYIV-PWSUYJOCSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)ccn1 ZINC001571174940 952816561 /nfs/dbraw/zinc/81/65/61/952816561.db2.gz NQDGNSKLCSGYIV-PWSUYJOCSA-N -1 1 381.400 0.633 20 0 GCADMM COc1ccnc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571175051 952817108 /nfs/dbraw/zinc/81/71/08/952817108.db2.gz OBAXCISMYGTOBQ-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c(=O)[nH]1 ZINC001571175068 952817182 /nfs/dbraw/zinc/81/71/82/952817182.db2.gz OMVPFZLEDLKPLI-NSHDSACASA-N -1 1 381.400 0.640 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c(=O)[nH]1 ZINC001571175068 952817190 /nfs/dbraw/zinc/81/71/90/952817190.db2.gz OMVPFZLEDLKPLI-NSHDSACASA-N -1 1 381.400 0.640 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)ccn1 ZINC001571174941 952817299 /nfs/dbraw/zinc/81/72/99/952817299.db2.gz NQDGNSKLCSGYIV-ZYHUDNBSSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)ccn1 ZINC001571174941 952817304 /nfs/dbraw/zinc/81/73/04/952817304.db2.gz NQDGNSKLCSGYIV-ZYHUDNBSSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)n1 ZINC001571175107 952818412 /nfs/dbraw/zinc/81/84/12/952818412.db2.gz POYSAMQYVZFDPJ-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)n1 ZINC001571175107 952818417 /nfs/dbraw/zinc/81/84/17/952818417.db2.gz POYSAMQYVZFDPJ-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCN(C(=O)c4ccon4)C3)C2)n1 ZINC001571175141 952818732 /nfs/dbraw/zinc/81/87/32/952818732.db2.gz QPXFZWGCPXOBNE-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCN(C(=O)c4ccon4)C3)C2)n1 ZINC001571175141 952818737 /nfs/dbraw/zinc/81/87/37/952818737.db2.gz QPXFZWGCPXOBNE-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571175301 952819129 /nfs/dbraw/zinc/81/91/29/952819129.db2.gz RXARVGNWHKYVLJ-MFKMUULPSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571175301 952819134 /nfs/dbraw/zinc/81/91/34/952819134.db2.gz RXARVGNWHKYVLJ-MFKMUULPSA-N -1 1 381.400 0.633 20 0 GCADMM COc1ncccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571175271 952819872 /nfs/dbraw/zinc/81/98/72/952819872.db2.gz RHQVELVIILEGSU-ZYHUDNBSSA-N -1 1 381.400 0.633 20 0 GCADMM COc1ncccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571175271 952819879 /nfs/dbraw/zinc/81/98/79/952819879.db2.gz RHQVELVIILEGSU-ZYHUDNBSSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccnc1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571175375 952820949 /nfs/dbraw/zinc/82/09/49/952820949.db2.gz UKYXZEHCUUXDEZ-KRWDZBQOSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccnc1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571175375 952820955 /nfs/dbraw/zinc/82/09/55/952820955.db2.gz UKYXZEHCUUXDEZ-KRWDZBQOSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccnc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571175392 952821073 /nfs/dbraw/zinc/82/10/73/952821073.db2.gz ULSYFVNKMQKRCT-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ocnc1C1CC1 ZINC001571175416 952821550 /nfs/dbraw/zinc/82/15/50/952821550.db2.gz CDGXDQSZISOXBF-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ocnc1C1CC1 ZINC001571175416 952821553 /nfs/dbraw/zinc/82/15/53/952821553.db2.gz CDGXDQSZISOXBF-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(=O)[nH]1 ZINC001571175596 952822122 /nfs/dbraw/zinc/82/21/22/952822122.db2.gz WKJABSXRAJFTKU-LLVKDONJSA-N -1 1 381.400 0.782 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(=O)[nH]1 ZINC001571175596 952822128 /nfs/dbraw/zinc/82/21/28/952822128.db2.gz WKJABSXRAJFTKU-LLVKDONJSA-N -1 1 381.400 0.782 20 0 GCADMM Cc1cc(=O)c(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571175569 952822332 /nfs/dbraw/zinc/82/23/32/952822332.db2.gz VJMXHSHLZBJLDX-UHFFFAOYSA-N -1 1 381.400 0.274 20 0 GCADMM Cc1cc(=O)c(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571175569 952822338 /nfs/dbraw/zinc/82/23/38/952822338.db2.gz VJMXHSHLZBJLDX-UHFFFAOYSA-N -1 1 381.400 0.274 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571175627 952823422 /nfs/dbraw/zinc/82/34/22/952823422.db2.gz XNEGDNUJHDTEBD-LLVKDONJSA-N -1 1 381.400 0.465 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571175627 952823429 /nfs/dbraw/zinc/82/34/29/952823429.db2.gz XNEGDNUJHDTEBD-LLVKDONJSA-N -1 1 381.400 0.465 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(=O)[nH]1 ZINC001571175700 952825476 /nfs/dbraw/zinc/82/54/76/952825476.db2.gz FMKZESFDBSQHMD-GHMZBOCLSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(=O)[nH]1 ZINC001571175700 952825478 /nfs/dbraw/zinc/82/54/78/952825478.db2.gz FMKZESFDBSQHMD-GHMZBOCLSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)c1ncccc1O ZINC001571175938 952828317 /nfs/dbraw/zinc/82/83/17/952828317.db2.gz IVLCMBAVFUOAJM-XYPYZODXSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[nH]n2)CC1)c1ncccc1[O-] ZINC001571175938 952828322 /nfs/dbraw/zinc/82/83/22/952828322.db2.gz IVLCMBAVFUOAJM-XYPYZODXSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(Cc1ccon1)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571176349 952830281 /nfs/dbraw/zinc/83/02/81/952830281.db2.gz QDKDAUBYDRBWHI-GUYCJALGSA-N -1 1 381.400 0.505 20 0 GCADMM O=C(Cc1ccon1)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571176349 952830285 /nfs/dbraw/zinc/83/02/85/952830285.db2.gz QDKDAUBYDRBWHI-GUYCJALGSA-N -1 1 381.400 0.505 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1coc(CC2CC2)n1 ZINC001571176308 952830560 /nfs/dbraw/zinc/83/05/60/952830560.db2.gz OWHHPEYHCGSMRM-PHIMTYICSA-N -1 1 381.400 0.970 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1coc(CC2CC2)n1 ZINC001571176308 952830563 /nfs/dbraw/zinc/83/05/63/952830563.db2.gz OWHHPEYHCGSMRM-PHIMTYICSA-N -1 1 381.400 0.970 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ocnc1C1CC1 ZINC001571176303 952831134 /nfs/dbraw/zinc/83/11/34/952831134.db2.gz OOQHGTFTKZHTJS-JGZJWPJOSA-N -1 1 381.400 0.565 20 0 GCADMM O=C(COc1cccnc1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571176529 952831921 /nfs/dbraw/zinc/83/19/21/952831921.db2.gz SNKMFJOLNROVIW-UHFFFAOYSA-N -1 1 381.400 0.169 20 0 GCADMM O=C(COc1cccnc1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571176529 952831928 /nfs/dbraw/zinc/83/19/28/952831928.db2.gz SNKMFJOLNROVIW-UHFFFAOYSA-N -1 1 381.400 0.169 20 0 GCADMM O=C(Cc1ccon1)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571176505 952832296 /nfs/dbraw/zinc/83/22/96/952832296.db2.gz SBJQHCDQVRWRID-GTNSWQLSSA-N -1 1 381.400 0.363 20 0 GCADMM O=C(Cc1ccon1)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571176505 952832303 /nfs/dbraw/zinc/83/23/03/952832303.db2.gz SBJQHCDQVRWRID-GTNSWQLSSA-N -1 1 381.400 0.363 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnc(C2CC2)o1 ZINC001571176541 952833496 /nfs/dbraw/zinc/83/34/96/952833496.db2.gz UDCVPDLIILACJN-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnc(C2CC2)o1 ZINC001571176541 952833503 /nfs/dbraw/zinc/83/35/03/952833503.db2.gz UDCVPDLIILACJN-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1conc1C1CC1 ZINC001571176656 952834330 /nfs/dbraw/zinc/83/43/30/952834330.db2.gz WUYAUOOQJPAINQ-UHFFFAOYSA-N -1 1 381.400 0.565 20 0 GCADMM Cc1cnoc1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571176705 952834894 /nfs/dbraw/zinc/83/48/94/952834894.db2.gz XPYUKZJGXDIBNM-SJCJKPOMSA-N -1 1 381.400 0.885 20 0 GCADMM Cc1cnoc1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571176705 952834897 /nfs/dbraw/zinc/83/48/97/952834897.db2.gz XPYUKZJGXDIBNM-SJCJKPOMSA-N -1 1 381.400 0.885 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571178164 952836580 /nfs/dbraw/zinc/83/65/80/952836580.db2.gz AFUFHXNUDFIAGM-GFCCVEGCSA-N -1 1 381.400 0.864 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571178164 952836588 /nfs/dbraw/zinc/83/65/88/952836588.db2.gz AFUFHXNUDFIAGM-GFCCVEGCSA-N -1 1 381.400 0.864 20 0 GCADMM O=C(c1cocn1)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571178623 952844264 /nfs/dbraw/zinc/84/42/64/952844264.db2.gz PAIGLDXLOQPVNB-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(c1cocn1)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571178623 952844274 /nfs/dbraw/zinc/84/42/74/952844274.db2.gz PAIGLDXLOQPVNB-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2cccn2C)CC1 ZINC001571183769 952883025 /nfs/dbraw/zinc/88/30/25/952883025.db2.gz JDZUZVCAPIAMKY-UHFFFAOYSA-N -1 1 381.444 0.914 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)c3cccn3C)C2)n1 ZINC001571183768 952883615 /nfs/dbraw/zinc/88/36/15/952883615.db2.gz JDYDCTJUTZVJIS-GFCCVEGCSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)c3cccn3C)C2)n1 ZINC001571183768 952883617 /nfs/dbraw/zinc/88/36/17/952883617.db2.gz JDYDCTJUTZVJIS-GFCCVEGCSA-N -1 1 381.444 0.956 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2ccn(C)c2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571184625 952895480 /nfs/dbraw/zinc/89/54/80/952895480.db2.gz BPXJIXZTSZGAAY-CYBMUJFWSA-N -1 1 381.444 0.984 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2ccn(C)c2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571184625 952895484 /nfs/dbraw/zinc/89/54/84/952895484.db2.gz BPXJIXZTSZGAAY-CYBMUJFWSA-N -1 1 381.444 0.984 20 0 GCADMM Cc1c(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571185108 952899575 /nfs/dbraw/zinc/89/95/75/952899575.db2.gz INLDESDPSPIITN-CYBMUJFWSA-N -1 1 381.444 0.868 20 0 GCADMM Cc1c(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571185108 952899577 /nfs/dbraw/zinc/89/95/77/952899577.db2.gz INLDESDPSPIITN-CYBMUJFWSA-N -1 1 381.444 0.868 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cccn2C)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571185488 952902166 /nfs/dbraw/zinc/90/21/66/952902166.db2.gz MHPXORJJINOLBU-CYBMUJFWSA-N -1 1 381.444 0.984 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cccn2C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571185488 952902169 /nfs/dbraw/zinc/90/21/69/952902169.db2.gz MHPXORJJINOLBU-CYBMUJFWSA-N -1 1 381.444 0.984 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571188354 952913231 /nfs/dbraw/zinc/91/32/31/952913231.db2.gz JEVJZLXYLJIXHT-SFHVURJKSA-N -1 1 381.444 0.690 20 0 GCADMM COCC(=O)N1CCC(N(CCO)c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571189134 952925447 /nfs/dbraw/zinc/92/54/47/952925447.db2.gz MVRHBRQXLNVPSC-UHFFFAOYSA-N -1 1 381.462 0.068 20 0 GCADMM CO[C@H](C)C(=O)N1CCC(O)(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571189385 952929699 /nfs/dbraw/zinc/92/96/99/952929699.db2.gz QQJPHRZXNJPIRI-SNVBAGLBSA-N -1 1 381.462 0.432 20 0 GCADMM Cc1nonc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571194047 952957359 /nfs/dbraw/zinc/95/73/59/952957359.db2.gz HVACPLXPRNONQB-FGWVZKOKSA-N -1 1 382.388 0.278 20 0 GCADMM COc1ncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)cn1 ZINC001571194226 952959470 /nfs/dbraw/zinc/95/94/70/952959470.db2.gz JZXDSKHKHNXBTE-GXSJLCMTSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)cn1 ZINC001571194226 952959477 /nfs/dbraw/zinc/95/94/77/952959477.db2.gz JZXDSKHKHNXBTE-GXSJLCMTSA-N -1 1 382.388 0.170 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C1 ZINC001571194370 952962164 /nfs/dbraw/zinc/96/21/64/952962164.db2.gz MSWQCLVRLDNQQU-HBNTYKKESA-N -1 1 382.388 0.393 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001571194370 952962165 /nfs/dbraw/zinc/96/21/65/952962165.db2.gz MSWQCLVRLDNQQU-HBNTYKKESA-N -1 1 382.388 0.393 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)n1 ZINC001571194592 952965834 /nfs/dbraw/zinc/96/58/34/952965834.db2.gz PQHYYLAEOSUGPF-JTQLQIEISA-N -1 1 382.388 0.096 20 0 GCADMM O=C(NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1ncccc1[O-] ZINC001571194670 952966785 /nfs/dbraw/zinc/96/67/85/952966785.db2.gz QEBNXPWMJXXTOL-SNVBAGLBSA-N -1 1 382.384 0.188 20 0 GCADMM COc1cnc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001571194717 952966927 /nfs/dbraw/zinc/96/69/27/952966927.db2.gz QNLAYDUOWKGNPQ-SKDRFNHKSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cnc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001571194717 952966931 /nfs/dbraw/zinc/96/69/31/952966931.db2.gz QNLAYDUOWKGNPQ-SKDRFNHKSA-N -1 1 382.388 0.028 20 0 GCADMM O=C(NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1ncccc1[O-] ZINC001571194669 952967103 /nfs/dbraw/zinc/96/71/03/952967103.db2.gz QEBNXPWMJXXTOL-JTQLQIEISA-N -1 1 382.384 0.188 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194777 952968276 /nfs/dbraw/zinc/96/82/76/952968276.db2.gz SSHGOLXLSXNNDZ-SNVBAGLBSA-N -1 1 382.388 0.035 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194777 952968282 /nfs/dbraw/zinc/96/82/82/952968282.db2.gz SSHGOLXLSXNNDZ-SNVBAGLBSA-N -1 1 382.388 0.035 20 0 GCADMM CC(C)(C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001571194871 952970257 /nfs/dbraw/zinc/97/02/57/952970257.db2.gz UMOPLPKBUKDOTG-SECBINFHSA-N -1 1 382.375 0.587 20 0 GCADMM CC(C)(C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001571194871 952970261 /nfs/dbraw/zinc/97/02/61/952970261.db2.gz UMOPLPKBUKDOTG-SECBINFHSA-N -1 1 382.375 0.587 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571194990 952972669 /nfs/dbraw/zinc/97/26/69/952972669.db2.gz WOPNVPBVSZCUQZ-LLVKDONJSA-N -1 1 382.388 0.259 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571194990 952972672 /nfs/dbraw/zinc/97/26/72/952972672.db2.gz WOPNVPBVSZCUQZ-LLVKDONJSA-N -1 1 382.388 0.259 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccoc1C1CC1 ZINC001571195067 952973337 /nfs/dbraw/zinc/97/33/37/952973337.db2.gz XLXUJGBMARJWGN-OLZOCXBDSA-N -1 1 382.384 0.107 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccoc1C1CC1 ZINC001571195067 952973341 /nfs/dbraw/zinc/97/33/41/952973341.db2.gz XLXUJGBMARJWGN-OLZOCXBDSA-N -1 1 382.384 0.107 20 0 GCADMM COc1ncc(NC(=O)NCC(=O)NCc2ccccc2)cc1-c1nn[n-]n1 ZINC001571195112 952974059 /nfs/dbraw/zinc/97/40/59/952974059.db2.gz ZDIBHYQFZJAIDM-UHFFFAOYSA-N -1 1 382.384 0.708 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)ncn1 ZINC001571195184 952974817 /nfs/dbraw/zinc/97/48/17/952974817.db2.gz YXRFNIAUOOGNIN-ZJUUUORDSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)ncn1 ZINC001571195184 952974822 /nfs/dbraw/zinc/97/48/22/952974822.db2.gz YXRFNIAUOOGNIN-ZJUUUORDSA-N -1 1 382.388 0.170 20 0 GCADMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001571195138 952975336 /nfs/dbraw/zinc/97/53/36/952975336.db2.gz ZWMXHBWPFUEGNT-MRXNPFEDSA-N -1 1 382.388 0.117 20 0 GCADMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001571195138 952975341 /nfs/dbraw/zinc/97/53/41/952975341.db2.gz ZWMXHBWPFUEGNT-MRXNPFEDSA-N -1 1 382.388 0.117 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cc1cccc(F)c1 ZINC001571196479 952981437 /nfs/dbraw/zinc/98/14/37/952981437.db2.gz KZXKGQDUZYFROK-RISCZKNCSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571198848 952993295 /nfs/dbraw/zinc/99/32/95/952993295.db2.gz HFWPRLFFHFVZMN-TZMCWYRMSA-N -1 1 382.428 0.811 20 0 GCADMM Cc1ccoc1CC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571200852 953012941 /nfs/dbraw/zinc/01/29/41/953012941.db2.gz GYTMVAZOXQRBKV-STQMWFEESA-N -1 1 382.428 0.920 20 0 GCADMM Cc1ccoc1CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571200849 953013094 /nfs/dbraw/zinc/01/30/94/953013094.db2.gz GYTMVAZOXQRBKV-CHWSQXEVSA-N -1 1 382.428 0.920 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ccco2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571202517 953027005 /nfs/dbraw/zinc/02/70/05/953027005.db2.gz ZSJSVYFKKBBNJS-QWHCGFSZSA-N -1 1 382.428 0.811 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001571204533 953029690 /nfs/dbraw/zinc/02/96/90/953029690.db2.gz AHKOLXMVERXXEZ-ZYHUDNBSSA-N -1 1 382.432 0.586 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001571204594 953029729 /nfs/dbraw/zinc/02/97/29/953029729.db2.gz BKZWZHZKXWZTBE-CHWSQXEVSA-N -1 1 382.432 0.187 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571204574 953029861 /nfs/dbraw/zinc/02/98/61/953029861.db2.gz BGYQRAMTHFCWIA-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571204531 953030069 /nfs/dbraw/zinc/03/00/69/953030069.db2.gz AHKOLXMVERXXEZ-JQWIXIFHSA-N -1 1 382.432 0.586 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571204553 953030200 /nfs/dbraw/zinc/03/02/00/953030200.db2.gz AUUIKGGEPWFFSZ-LLVKDONJSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571204553 953030203 /nfs/dbraw/zinc/03/02/03/953030203.db2.gz AUUIKGGEPWFFSZ-LLVKDONJSA-N -1 1 382.432 0.669 20 0 GCADMM O=C(N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)C1=CCOCC1 ZINC001571204671 953031020 /nfs/dbraw/zinc/03/10/20/953031020.db2.gz BJIMWDHNHHGTRI-UONOGXRCSA-N -1 1 382.428 0.843 20 0 GCADMM O=C(N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)C1=CCOCC1 ZINC001571204671 953031025 /nfs/dbraw/zinc/03/10/25/953031025.db2.gz BJIMWDHNHHGTRI-UONOGXRCSA-N -1 1 382.428 0.843 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)C1=CCOCC1 ZINC001571204670 953031039 /nfs/dbraw/zinc/03/10/39/953031039.db2.gz BJIMWDHNHHGTRI-KGLIPLIRSA-N -1 1 382.428 0.843 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)C1=CCOCC1 ZINC001571204670 953031045 /nfs/dbraw/zinc/03/10/45/953031045.db2.gz BJIMWDHNHHGTRI-KGLIPLIRSA-N -1 1 382.428 0.843 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)n1 ZINC001571204608 953031436 /nfs/dbraw/zinc/03/14/36/953031436.db2.gz ALGUQQKGJSWROI-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)n1 ZINC001571204608 953031441 /nfs/dbraw/zinc/03/14/41/953031441.db2.gz ALGUQQKGJSWROI-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001571204662 953031511 /nfs/dbraw/zinc/03/15/11/953031511.db2.gz CDHPVRQSBBUXEP-GFCCVEGCSA-N -1 1 382.432 0.351 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCn1cccn1 ZINC001571204665 953031789 /nfs/dbraw/zinc/03/17/89/953031789.db2.gz CEFVAGZZZAFTFU-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCn1cccn1 ZINC001571204665 953031791 /nfs/dbraw/zinc/03/17/91/953031791.db2.gz CEFVAGZZZAFTFU-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571204843 953032023 /nfs/dbraw/zinc/03/20/23/953032023.db2.gz CTKRVNCRCJHXRO-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571204843 953032028 /nfs/dbraw/zinc/03/20/28/953032028.db2.gz CTKRVNCRCJHXRO-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571204836 953032227 /nfs/dbraw/zinc/03/22/27/953032227.db2.gz CQXFMCRKPTYMFS-LLVKDONJSA-N -1 1 382.432 0.589 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571204836 953032229 /nfs/dbraw/zinc/03/22/29/953032229.db2.gz CQXFMCRKPTYMFS-LLVKDONJSA-N -1 1 382.432 0.589 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571204840 953032860 /nfs/dbraw/zinc/03/28/60/953032860.db2.gz CSCWTLXUFXVAMZ-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571204840 953032865 /nfs/dbraw/zinc/03/28/65/953032865.db2.gz CSCWTLXUFXVAMZ-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571204847 953032889 /nfs/dbraw/zinc/03/28/89/953032889.db2.gz CXBQJUYKBNWOPO-DGCLKSJQSA-N -1 1 382.432 0.165 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571204908 953033534 /nfs/dbraw/zinc/03/35/34/953033534.db2.gz FMYUHCLNCIYCTF-MFKMUULPSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571204908 953033537 /nfs/dbraw/zinc/03/35/37/953033537.db2.gz FMYUHCLNCIYCTF-MFKMUULPSA-N -1 1 382.432 0.668 20 0 GCADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571204871 953033782 /nfs/dbraw/zinc/03/37/82/953033782.db2.gz DMCPJSCWXRSCLV-UHFFFAOYSA-N -1 1 382.432 0.228 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571204945 953035023 /nfs/dbraw/zinc/03/50/23/953035023.db2.gz DNLQIXXGLWRMAQ-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571204945 953035027 /nfs/dbraw/zinc/03/50/27/953035027.db2.gz DNLQIXXGLWRMAQ-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)Cn1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571205085 953035237 /nfs/dbraw/zinc/03/52/37/953035237.db2.gz GGLDNCSWCCYQQW-CYBMUJFWSA-N -1 1 382.432 0.258 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H](C)C2)cn1 ZINC001571205192 953036001 /nfs/dbraw/zinc/03/60/01/953036001.db2.gz HDBMOVFFXUJPDQ-HZMBPMFUSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H](C)C2)cn1 ZINC001571205192 953036006 /nfs/dbraw/zinc/03/60/06/953036006.db2.gz HDBMOVFFXUJPDQ-HZMBPMFUSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571205194 953036053 /nfs/dbraw/zinc/03/60/53/953036053.db2.gz HDBMOVFFXUJPDQ-QMTHXVAHSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571205194 953036056 /nfs/dbraw/zinc/03/60/56/953036056.db2.gz HDBMOVFFXUJPDQ-QMTHXVAHSA-N -1 1 382.432 0.754 20 0 GCADMM CCc1nc(NC2CCN(C(=O)c3ccnn3C)CC2)cc(-c2nnn[n-]2)n1 ZINC001571205181 953036104 /nfs/dbraw/zinc/03/61/04/953036104.db2.gz GZSVXCGWZMCWNT-UHFFFAOYSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nc(NC2CCN(C(=O)c3ccnn3C)CC2)cc(-c2nn[n-]n2)n1 ZINC001571205181 953036108 /nfs/dbraw/zinc/03/61/08/953036108.db2.gz GZSVXCGWZMCWNT-UHFFFAOYSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1c(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cnn1C ZINC001571205218 953037126 /nfs/dbraw/zinc/03/71/26/953037126.db2.gz HVCHBBBKLAUXSB-ZWNOBZJWSA-N -1 1 382.432 0.207 20 0 GCADMM CCc1c(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cnn1C ZINC001571205218 953037128 /nfs/dbraw/zinc/03/71/28/953037128.db2.gz HVCHBBBKLAUXSB-ZWNOBZJWSA-N -1 1 382.432 0.207 20 0 GCADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571205350 953037188 /nfs/dbraw/zinc/03/71/88/953037188.db2.gz HRHIUVZNIBPLDX-JYXMKJBCSA-N -1 1 382.428 0.483 20 0 GCADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205350 953037190 /nfs/dbraw/zinc/03/71/90/953037190.db2.gz HRHIUVZNIBPLDX-JYXMKJBCSA-N -1 1 382.428 0.483 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571205333 953037353 /nfs/dbraw/zinc/03/73/53/953037353.db2.gz HBMVCQNQTMPDTF-VVHWCZALSA-N -1 1 382.428 0.387 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571205333 953037355 /nfs/dbraw/zinc/03/73/55/953037355.db2.gz HBMVCQNQTMPDTF-VVHWCZALSA-N -1 1 382.428 0.387 20 0 GCADMM O=C(N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)[C@]12C[C@H]1COC2 ZINC001571205380 953037879 /nfs/dbraw/zinc/03/78/79/953037879.db2.gz INYXKFAGMGBOHD-KTMFAHBVSA-N -1 1 382.428 0.263 20 0 GCADMM O=C(N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)[C@]12C[C@H]1COC2 ZINC001571205380 953037882 /nfs/dbraw/zinc/03/78/82/953037882.db2.gz INYXKFAGMGBOHD-KTMFAHBVSA-N -1 1 382.428 0.263 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001571205426 953038127 /nfs/dbraw/zinc/03/81/27/953038127.db2.gz IBKWLWZCGXMSKS-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001571205426 953038131 /nfs/dbraw/zinc/03/81/31/953038131.db2.gz IBKWLWZCGXMSKS-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001571205427 953038400 /nfs/dbraw/zinc/03/84/00/953038400.db2.gz IBKWLWZCGXMSKS-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001571205427 953038404 /nfs/dbraw/zinc/03/84/04/953038404.db2.gz IBKWLWZCGXMSKS-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM CCc1cc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)[nH]n1 ZINC001571205476 953038756 /nfs/dbraw/zinc/03/87/56/953038756.db2.gz JOZXRQBYBPELQM-ZDUSSCGKSA-N -1 1 382.432 0.905 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)n1 ZINC001571205481 953038791 /nfs/dbraw/zinc/03/87/91/953038791.db2.gz JWDPWPKNCCLHMW-CMPLNLGQSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)n1 ZINC001571205481 953038795 /nfs/dbraw/zinc/03/87/95/953038795.db2.gz JWDPWPKNCCLHMW-CMPLNLGQSA-N -1 1 382.432 0.897 20 0 GCADMM CCc1c(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571205519 953038943 /nfs/dbraw/zinc/03/89/43/953038943.db2.gz LAPMXRMHAWFTKE-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM CCc1c(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571205519 953038947 /nfs/dbraw/zinc/03/89/47/953038947.db2.gz LAPMXRMHAWFTKE-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205521 953039557 /nfs/dbraw/zinc/03/95/57/953039557.db2.gz LCKKBFCEELQEOS-TXEJJXNPSA-N -1 1 382.432 0.477 20 0 GCADMM CCCc1cc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571205616 953040575 /nfs/dbraw/zinc/04/05/75/953040575.db2.gz LQYPELDBWDMCPC-LBPRGKRZSA-N -1 1 382.432 0.683 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205631 953040588 /nfs/dbraw/zinc/04/05/88/953040588.db2.gz MBUXCBGQRNGKDQ-RISCZKNCSA-N -1 1 382.432 0.282 20 0 GCADMM CCc1nc[nH]c1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571205702 953040944 /nfs/dbraw/zinc/04/09/44/953040944.db2.gz NCZNJPQGDRZJKY-UHFFFAOYSA-N -1 1 382.432 0.683 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001571205707 953041645 /nfs/dbraw/zinc/04/16/45/953041645.db2.gz KWNHFXUVZTZFDQ-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001571205707 953041650 /nfs/dbraw/zinc/04/16/50/953041650.db2.gz KWNHFXUVZTZFDQ-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM CCCn1nccc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571205704 953041662 /nfs/dbraw/zinc/04/16/62/953041662.db2.gz NENTVTAEMJRFKL-HAQNSBGRSA-N -1 1 382.432 0.884 20 0 GCADMM CCCn1nccc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571205704 953041666 /nfs/dbraw/zinc/04/16/66/953041666.db2.gz NENTVTAEMJRFKL-HAQNSBGRSA-N -1 1 382.432 0.884 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571205680 953041845 /nfs/dbraw/zinc/04/18/45/953041845.db2.gz KSHJOHLZBRLOMP-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205680 953041848 /nfs/dbraw/zinc/04/18/48/953041848.db2.gz KSHJOHLZBRLOMP-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205772 953042201 /nfs/dbraw/zinc/04/22/01/953042201.db2.gz AQACDGZNFKJWBK-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205772 953042204 /nfs/dbraw/zinc/04/22/04/953042204.db2.gz AQACDGZNFKJWBK-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)Cc2cncn2C)C1 ZINC001571205768 953042695 /nfs/dbraw/zinc/04/26/95/953042695.db2.gz AOVRYGDOFSNPLI-GFCCVEGCSA-N -1 1 382.432 0.060 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571205863 953043269 /nfs/dbraw/zinc/04/32/69/953043269.db2.gz CIEOHCGGOYIIIO-LBPRGKRZSA-N -1 1 382.432 0.518 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571205863 953043274 /nfs/dbraw/zinc/04/32/74/953043274.db2.gz CIEOHCGGOYIIIO-LBPRGKRZSA-N -1 1 382.432 0.518 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571205885 953043576 /nfs/dbraw/zinc/04/35/76/953043576.db2.gz NKEAYVUJIMFRGN-LLVKDONJSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571205885 953043580 /nfs/dbraw/zinc/04/35/80/953043580.db2.gz NKEAYVUJIMFRGN-LLVKDONJSA-N -1 1 382.432 0.669 20 0 GCADMM Cc1[nH]nc(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571205873 953043785 /nfs/dbraw/zinc/04/37/85/953043785.db2.gz CSIJSEXWLKEQFV-QGZVFWFLSA-N -1 1 382.432 0.961 20 0 GCADMM Cc1[nH]nc(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571205873 953043788 /nfs/dbraw/zinc/04/37/88/953043788.db2.gz CSIJSEXWLKEQFV-QGZVFWFLSA-N -1 1 382.432 0.961 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205900 953043900 /nfs/dbraw/zinc/04/39/00/953043900.db2.gz NWPWXCUZVRZEDS-NWDGAFQWSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1ccnc1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571205860 953044007 /nfs/dbraw/zinc/04/40/07/953044007.db2.gz CFYPONDWVHVIER-UHFFFAOYSA-N -1 1 382.432 0.520 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205952 953044954 /nfs/dbraw/zinc/04/49/54/953044954.db2.gz OWZNROIAUYURST-FZMZJTMJSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205952 953044959 /nfs/dbraw/zinc/04/49/59/953044959.db2.gz OWZNROIAUYURST-FZMZJTMJSA-N -1 1 382.432 0.282 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571206007 953045740 /nfs/dbraw/zinc/04/57/40/953045740.db2.gz QSIYDDKXSLDMKG-LBPRGKRZSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571206007 953045744 /nfs/dbraw/zinc/04/57/44/953045744.db2.gz QSIYDDKXSLDMKG-LBPRGKRZSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccnn3C)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571206014 953045801 /nfs/dbraw/zinc/04/58/01/953045801.db2.gz QSWLQRJFZTWQSF-QWRGUYRKSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccnn3C)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571206014 953045804 /nfs/dbraw/zinc/04/58/04/953045804.db2.gz QSWLQRJFZTWQSF-QWRGUYRKSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205994 953046408 /nfs/dbraw/zinc/04/64/08/953046408.db2.gz QKVQWUPXWUYPGG-LLVKDONJSA-N -1 1 382.432 0.351 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(N(C)C(=O)c3cn(C)cn3)CC2)n1 ZINC001571206123 953046999 /nfs/dbraw/zinc/04/69/99/953046999.db2.gz DKWZOIGDCUMXPK-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(N(C)C(=O)c3cn(C)cn3)CC2)n1 ZINC001571206123 953047001 /nfs/dbraw/zinc/04/70/01/953047001.db2.gz DKWZOIGDCUMXPK-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001571206180 953047853 /nfs/dbraw/zinc/04/78/53/953047853.db2.gz MVCFQOUWSDYURX-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001571206180 953047859 /nfs/dbraw/zinc/04/78/59/953047859.db2.gz MVCFQOUWSDYURX-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001571206175 953047924 /nfs/dbraw/zinc/04/79/24/953047924.db2.gz MVCFQOUWSDYURX-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001571206175 953047928 /nfs/dbraw/zinc/04/79/28/953047928.db2.gz MVCFQOUWSDYURX-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571206289 953048916 /nfs/dbraw/zinc/04/89/16/953048916.db2.gz STUCWLZQFHURIO-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)c1C ZINC001571206309 953049162 /nfs/dbraw/zinc/04/91/62/953049162.db2.gz FMNSMUDTAOMETJ-HZMBPMFUSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)c1C ZINC001571206309 953049165 /nfs/dbraw/zinc/04/91/65/953049165.db2.gz FMNSMUDTAOMETJ-HZMBPMFUSA-N -1 1 382.432 0.754 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571206292 953049420 /nfs/dbraw/zinc/04/94/20/953049420.db2.gz STUCWLZQFHURIO-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM CC1(C)CC[C@H](CNC(=O)c2cn[nH]c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206354 953049851 /nfs/dbraw/zinc/04/98/51/953049851.db2.gz UDLUIAYNRDXVBG-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)CC[C@H](CNC(=O)c2cn[nH]c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206354 953049853 /nfs/dbraw/zinc/04/98/53/953049853.db2.gz UDLUIAYNRDXVBG-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571206614 953053265 /nfs/dbraw/zinc/05/32/65/953053265.db2.gz RUVDGIXKPYSPTJ-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571206614 953053267 /nfs/dbraw/zinc/05/32/67/953053267.db2.gz RUVDGIXKPYSPTJ-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206654 953053542 /nfs/dbraw/zinc/05/35/42/953053542.db2.gz VVXQYLIIOTWYTK-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206654 953053546 /nfs/dbraw/zinc/05/35/46/953053546.db2.gz VVXQYLIIOTWYTK-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM Cc1[nH]nc(C(=O)NC[C@@H]2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206680 953053581 /nfs/dbraw/zinc/05/35/81/953053581.db2.gz IXKVFQYEPBQRQU-HAQNSBGRSA-N -1 1 382.432 0.926 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)c1C ZINC001571206704 953053726 /nfs/dbraw/zinc/05/37/26/953053726.db2.gz JPYVQTUQSAABGH-BXKDBHETSA-N -1 1 382.432 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206652 953054109 /nfs/dbraw/zinc/05/41/09/953054109.db2.gz VVXQYLIIOTWYTK-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206652 953054112 /nfs/dbraw/zinc/05/41/12/953054112.db2.gz VVXQYLIIOTWYTK-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206842 953055870 /nfs/dbraw/zinc/05/58/70/953055870.db2.gz LIOVNPZCNXMQJW-CMPLNLGQSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206842 953055875 /nfs/dbraw/zinc/05/58/75/953055875.db2.gz LIOVNPZCNXMQJW-CMPLNLGQSA-N -1 1 382.432 0.899 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206832 953056011 /nfs/dbraw/zinc/05/60/11/953056011.db2.gz XSIFJGQPYIFBJE-NEPJUHHUSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206832 953056013 /nfs/dbraw/zinc/05/60/13/953056013.db2.gz XSIFJGQPYIFBJE-NEPJUHHUSA-N -1 1 382.432 0.282 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571206849 953056245 /nfs/dbraw/zinc/05/62/45/953056245.db2.gz XZBQTOSAXRYFRR-RYUDHWBXSA-N -1 1 382.432 0.115 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n(C)n1 ZINC001571206810 953056396 /nfs/dbraw/zinc/05/63/96/953056396.db2.gz XOYMXTBCLGGIBD-GFCCVEGCSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n(C)n1 ZINC001571206810 953056401 /nfs/dbraw/zinc/05/64/01/953056401.db2.gz XOYMXTBCLGGIBD-GFCCVEGCSA-N -1 1 382.432 0.351 20 0 GCADMM Cc1c(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cnn1C ZINC001571206801 953056525 /nfs/dbraw/zinc/05/65/25/953056525.db2.gz KTVFOQKEUXNSOA-ZDUSSCGKSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1c(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cnn1C ZINC001571206801 953056529 /nfs/dbraw/zinc/05/65/29/953056529.db2.gz KTVFOQKEUXNSOA-ZDUSSCGKSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206846 953056648 /nfs/dbraw/zinc/05/66/48/953056648.db2.gz LIOVNPZCNXMQJW-PWSUYJOCSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206846 953056651 /nfs/dbraw/zinc/05/66/51/953056651.db2.gz LIOVNPZCNXMQJW-PWSUYJOCSA-N -1 1 382.432 0.899 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CC12CCOCC2 ZINC001571206938 953056960 /nfs/dbraw/zinc/05/69/60/953056960.db2.gz UJYOYSPJQWLWQW-KZVDOYCCSA-N -1 1 382.428 0.024 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206897 953057206 /nfs/dbraw/zinc/05/72/06/953057206.db2.gz YVMDIZSNYATCPD-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206897 953057210 /nfs/dbraw/zinc/05/72/10/953057210.db2.gz YVMDIZSNYATCPD-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206884 953057589 /nfs/dbraw/zinc/05/75/89/953057589.db2.gz YONJCRUWXJKPCU-QWRGUYRKSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206884 953057592 /nfs/dbraw/zinc/05/75/92/953057592.db2.gz YONJCRUWXJKPCU-QWRGUYRKSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](NC(=O)c1ccn(C)n1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207026 953058435 /nfs/dbraw/zinc/05/84/35/953058435.db2.gz ZUUCWFGSEHNTFV-VXGBXAGGSA-N -1 1 382.432 0.425 20 0 GCADMM C[C@@H](NC(=O)c1ccn(C)n1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207026 953058436 /nfs/dbraw/zinc/05/84/36/953058436.db2.gz ZUUCWFGSEHNTFV-VXGBXAGGSA-N -1 1 382.432 0.425 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cncn2C)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571207029 953058464 /nfs/dbraw/zinc/05/84/64/953058464.db2.gz ZXZSTWSEQBRFDN-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cncn2C)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571207029 953058466 /nfs/dbraw/zinc/05/84/66/953058466.db2.gz ZXZSTWSEQBRFDN-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571207007 953058558 /nfs/dbraw/zinc/05/85/58/953058558.db2.gz ZOIUWUQRUGBXGG-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571207007 953058561 /nfs/dbraw/zinc/05/85/61/953058561.db2.gz ZOIUWUQRUGBXGG-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571207044 953058814 /nfs/dbraw/zinc/05/88/14/953058814.db2.gz LVERULFMWFWVKX-GFCCVEGCSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571207044 953058820 /nfs/dbraw/zinc/05/88/20/953058820.db2.gz LVERULFMWFWVKX-GFCCVEGCSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1ccnc1C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207054 953059023 /nfs/dbraw/zinc/05/90/23/953059023.db2.gz MCOVSUOPPVYZCR-GFCCVEGCSA-N -1 1 382.432 0.532 20 0 GCADMM CCn1ccnc1C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207054 953059027 /nfs/dbraw/zinc/05/90/27/953059027.db2.gz MCOVSUOPPVYZCR-GFCCVEGCSA-N -1 1 382.432 0.532 20 0 GCADMM CCn1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C(C)(C)C2)n1 ZINC001571207176 953060272 /nfs/dbraw/zinc/06/02/72/953060272.db2.gz OKKGQCOLXCVQQO-ZDUSSCGKSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C(C)(C)C2)n1 ZINC001571207176 953060276 /nfs/dbraw/zinc/06/02/76/953060276.db2.gz OKKGQCOLXCVQQO-ZDUSSCGKSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571207263 953060609 /nfs/dbraw/zinc/06/06/09/953060609.db2.gz PFNOUNVRDIUVPM-NEPJUHHUSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571207263 953060614 /nfs/dbraw/zinc/06/06/14/953060614.db2.gz PFNOUNVRDIUVPM-NEPJUHHUSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001571207202 953060683 /nfs/dbraw/zinc/06/06/83/953060683.db2.gz WZGMBYIRDXUNNA-NEPJUHHUSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001571207202 953060686 /nfs/dbraw/zinc/06/06/86/953060686.db2.gz WZGMBYIRDXUNNA-NEPJUHHUSA-N -1 1 382.432 0.454 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571207281 953062002 /nfs/dbraw/zinc/06/20/02/953062002.db2.gz PLIBRMYYEFLAPX-LBPRGKRZSA-N -1 1 382.432 0.406 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571207281 953062004 /nfs/dbraw/zinc/06/20/04/953062004.db2.gz PLIBRMYYEFLAPX-LBPRGKRZSA-N -1 1 382.432 0.406 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c1C ZINC001571207320 953062083 /nfs/dbraw/zinc/06/20/83/953062083.db2.gz QSVCENFMKTZNEK-QMTHXVAHSA-N -1 1 382.432 0.436 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c1C ZINC001571207320 953062086 /nfs/dbraw/zinc/06/20/86/953062086.db2.gz QSVCENFMKTZNEK-QMTHXVAHSA-N -1 1 382.432 0.436 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571207411 953062806 /nfs/dbraw/zinc/06/28/06/953062806.db2.gz QZQGLJSIMFDOQI-LBPRGKRZSA-N -1 1 382.432 0.677 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571207411 953062808 /nfs/dbraw/zinc/06/28/08/953062808.db2.gz QZQGLJSIMFDOQI-LBPRGKRZSA-N -1 1 382.432 0.677 20 0 GCADMM Cc1c(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cnn1C ZINC001571207460 953063281 /nfs/dbraw/zinc/06/32/81/953063281.db2.gz SALOLQTZSWGHFW-ZWNOBZJWSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1c(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cnn1C ZINC001571207460 953063282 /nfs/dbraw/zinc/06/32/82/953063282.db2.gz SALOLQTZSWGHFW-ZWNOBZJWSA-N -1 1 382.432 0.343 20 0 GCADMM CCn1ccnc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571207483 953063330 /nfs/dbraw/zinc/06/33/30/953063330.db2.gz UAWRFKBNFLOQLG-LBPRGKRZSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ccnc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571207483 953063333 /nfs/dbraw/zinc/06/33/33/953063333.db2.gz UAWRFKBNFLOQLG-LBPRGKRZSA-N -1 1 382.432 0.836 20 0 GCADMM Cc1c(CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cnn1C ZINC001571207459 953063922 /nfs/dbraw/zinc/06/39/22/953063922.db2.gz SALOLQTZSWGHFW-MFKMUULPSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1c(CC(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cnn1C ZINC001571207459 953063924 /nfs/dbraw/zinc/06/39/24/953063924.db2.gz SALOLQTZSWGHFW-MFKMUULPSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]2C)n1 ZINC001571207551 953064319 /nfs/dbraw/zinc/06/43/19/953064319.db2.gz WHYVUUBCNDGGGY-AAEUAGOBSA-N -1 1 382.432 0.511 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571207522 953064689 /nfs/dbraw/zinc/06/46/89/953064689.db2.gz VPNPZZQVRRPKJB-LBPRGKRZSA-N -1 1 382.432 0.379 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571207522 953064692 /nfs/dbraw/zinc/06/46/92/953064692.db2.gz VPNPZZQVRRPKJB-LBPRGKRZSA-N -1 1 382.432 0.379 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571207570 953064699 /nfs/dbraw/zinc/06/46/99/953064699.db2.gz XBCMSOHWAOSNSS-NWDGAFQWSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571207570 953064700 /nfs/dbraw/zinc/06/47/00/953064700.db2.gz XBCMSOHWAOSNSS-NWDGAFQWSA-N -1 1 382.432 0.897 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571207641 953064997 /nfs/dbraw/zinc/06/49/97/953064997.db2.gz YSXYZRAWXYLLAV-PWSUYJOCSA-N -1 1 382.432 0.437 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571207641 953065000 /nfs/dbraw/zinc/06/50/00/953065000.db2.gz YSXYZRAWXYLLAV-PWSUYJOCSA-N -1 1 382.432 0.437 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1C ZINC001571207604 953065496 /nfs/dbraw/zinc/06/54/96/953065496.db2.gz XUHFHRVYLYHRGM-WCQYABFASA-N -1 1 382.432 0.897 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1C ZINC001571207604 953065498 /nfs/dbraw/zinc/06/54/98/953065498.db2.gz XUHFHRVYLYHRGM-WCQYABFASA-N -1 1 382.432 0.897 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571209743 953066764 /nfs/dbraw/zinc/06/67/64/953066764.db2.gz CNEXLQRUNUBBSI-CYBMUJFWSA-N -1 1 382.432 0.228 20 0 GCADMM O=C(Cn1cccn1)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571210391 953072145 /nfs/dbraw/zinc/07/21/45/953072145.db2.gz QJVKOSPRCUUFGJ-ZDUSSCGKSA-N -1 1 382.432 0.158 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571211448 953076074 /nfs/dbraw/zinc/07/60/74/953076074.db2.gz AVCTWQPJDOLMBG-GFCCVEGCSA-N -1 1 382.432 0.297 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571211448 953076079 /nfs/dbraw/zinc/07/60/79/953076079.db2.gz AVCTWQPJDOLMBG-GFCCVEGCSA-N -1 1 382.432 0.297 20 0 GCADMM Cn1cncc1C(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211428 953076598 /nfs/dbraw/zinc/07/65/98/953076598.db2.gz ALPSCLCZTHKHGN-LBPRGKRZSA-N -1 1 382.432 0.887 20 0 GCADMM Cn1cncc1C(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211428 953076600 /nfs/dbraw/zinc/07/66/00/953076600.db2.gz ALPSCLCZTHKHGN-LBPRGKRZSA-N -1 1 382.432 0.887 20 0 GCADMM Cc1nn(C)cc1CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211643 953079215 /nfs/dbraw/zinc/07/92/15/953079215.db2.gz DOMOMSATBNKSJV-CYBMUJFWSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1nn(C)cc1CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211643 953079219 /nfs/dbraw/zinc/07/92/19/953079219.db2.gz DOMOMSATBNKSJV-CYBMUJFWSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571211895 953082904 /nfs/dbraw/zinc/08/29/04/953082904.db2.gz IICRXOUIBICIPD-PWSUYJOCSA-N -1 1 382.432 0.320 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571211881 953082955 /nfs/dbraw/zinc/08/29/55/953082955.db2.gz HWLWHUMFHOEULC-UHFFFAOYSA-N -1 1 382.432 0.406 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571211881 953082959 /nfs/dbraw/zinc/08/29/59/953082959.db2.gz HWLWHUMFHOEULC-UHFFFAOYSA-N -1 1 382.432 0.406 20 0 GCADMM Cc1nc(C(=O)N2CC[C@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571211890 953083066 /nfs/dbraw/zinc/08/30/66/953083066.db2.gz IICRXOUIBICIPD-CMPLNLGQSA-N -1 1 382.432 0.320 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)n(C)n1 ZINC001571212123 953083489 /nfs/dbraw/zinc/08/34/89/953083489.db2.gz JEQZYQREZWBLQB-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)n(C)n1 ZINC001571212123 953083493 /nfs/dbraw/zinc/08/34/93/953083493.db2.gz JEQZYQREZWBLQB-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571212126 953083917 /nfs/dbraw/zinc/08/39/17/953083917.db2.gz JJIMUJSPGLMJSQ-GFCCVEGCSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571212126 953083920 /nfs/dbraw/zinc/08/39/20/953083920.db2.gz JJIMUJSPGLMJSQ-GFCCVEGCSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571212119 953084422 /nfs/dbraw/zinc/08/44/22/953084422.db2.gz JCXRTAXLJIOROF-AAEUAGOBSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212176 953084515 /nfs/dbraw/zinc/08/45/15/953084515.db2.gz KMLTUBWCHBDHAL-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212176 953084519 /nfs/dbraw/zinc/08/45/19/953084519.db2.gz KMLTUBWCHBDHAL-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cn1cc(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)cn1 ZINC001571212138 953084527 /nfs/dbraw/zinc/08/45/27/953084527.db2.gz JLKBJPRKMDNSOA-ZDUSSCGKSA-N -1 1 382.432 0.569 20 0 GCADMM Cn1cc(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)cn1 ZINC001571212138 953084532 /nfs/dbraw/zinc/08/45/32/953084532.db2.gz JLKBJPRKMDNSOA-ZDUSSCGKSA-N -1 1 382.432 0.569 20 0 GCADMM Cc1ccnn1CC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571212141 953085022 /nfs/dbraw/zinc/08/50/22/953085022.db2.gz JQGQQTPGSUYROU-ZDUSSCGKSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1ccnn1CC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571212141 953085025 /nfs/dbraw/zinc/08/50/25/953085025.db2.gz JQGQQTPGSUYROU-ZDUSSCGKSA-N -1 1 382.432 0.655 20 0 GCADMM Cn1ccc(CC(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571212155 953085102 /nfs/dbraw/zinc/08/51/02/953085102.db2.gz KBOUUASSLOEJMG-VXGBXAGGSA-N -1 1 382.432 0.330 20 0 GCADMM Cn1ccc(CC(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571212155 953085105 /nfs/dbraw/zinc/08/51/05/953085105.db2.gz KBOUUASSLOEJMG-VXGBXAGGSA-N -1 1 382.432 0.330 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212195 953085210 /nfs/dbraw/zinc/08/52/10/953085210.db2.gz KXTPFZFFGKNFLS-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212195 953085214 /nfs/dbraw/zinc/08/52/14/953085214.db2.gz KXTPFZFFGKNFLS-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212315 953086895 /nfs/dbraw/zinc/08/68/95/953086895.db2.gz LLTDKRXVSOAMOE-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212315 953086899 /nfs/dbraw/zinc/08/68/99/953086899.db2.gz LLTDKRXVSOAMOE-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212359 953087172 /nfs/dbraw/zinc/08/71/72/953087172.db2.gz MMAGVDYDCZCTNJ-HAQNSBGRSA-N -1 1 382.432 0.791 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212359 953087176 /nfs/dbraw/zinc/08/71/76/953087176.db2.gz MMAGVDYDCZCTNJ-HAQNSBGRSA-N -1 1 382.432 0.791 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212317 953087188 /nfs/dbraw/zinc/08/71/88/953087188.db2.gz LLTDKRXVSOAMOE-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212317 953087194 /nfs/dbraw/zinc/08/71/94/953087194.db2.gz LLTDKRXVSOAMOE-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212377 953088208 /nfs/dbraw/zinc/08/82/08/953088208.db2.gz NACQAAOLOOQRPJ-UHFFFAOYSA-N -1 1 382.432 0.144 20 0 GCADMM Cc1cnn(CC(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571212786 953090113 /nfs/dbraw/zinc/09/01/13/953090113.db2.gz PCOBZFFSBTYWHP-OLZOCXBDSA-N -1 1 382.432 0.368 20 0 GCADMM Cc1cnn(CC(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571212786 953090114 /nfs/dbraw/zinc/09/01/14/953090114.db2.gz PCOBZFFSBTYWHP-OLZOCXBDSA-N -1 1 382.432 0.368 20 0 GCADMM Cc1ccnn1CC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571212750 953090311 /nfs/dbraw/zinc/09/03/11/953090311.db2.gz OTZPIIQTEFDUKV-STQMWFEESA-N -1 1 382.432 0.559 20 0 GCADMM Cc1ccnn1CC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571212750 953090315 /nfs/dbraw/zinc/09/03/15/953090315.db2.gz OTZPIIQTEFDUKV-STQMWFEESA-N -1 1 382.432 0.559 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571212825 953090766 /nfs/dbraw/zinc/09/07/66/953090766.db2.gz PKZHZBWKJQTJPX-PWSUYJOCSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571212825 953090768 /nfs/dbraw/zinc/09/07/68/953090768.db2.gz PKZHZBWKJQTJPX-PWSUYJOCSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1ccnn1CC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571212746 953090829 /nfs/dbraw/zinc/09/08/29/953090829.db2.gz OTZPIIQTEFDUKV-OLZOCXBDSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1ccnn1CC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571212746 953090832 /nfs/dbraw/zinc/09/08/32/953090832.db2.gz OTZPIIQTEFDUKV-OLZOCXBDSA-N -1 1 382.432 0.559 20 0 GCADMM Cn1ccc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571213049 953092175 /nfs/dbraw/zinc/09/21/75/953092175.db2.gz QDZRFQXPQABSCD-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1ccc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571213049 953092176 /nfs/dbraw/zinc/09/21/76/953092176.db2.gz QDZRFQXPQABSCD-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)n1C ZINC001571213023 953092691 /nfs/dbraw/zinc/09/26/91/953092691.db2.gz PUFPHMLIMAXZOD-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)n1C ZINC001571213023 953092695 /nfs/dbraw/zinc/09/26/95/953092695.db2.gz PUFPHMLIMAXZOD-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ccnn1CC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571213141 953093718 /nfs/dbraw/zinc/09/37/18/953093718.db2.gz RGXDAWWSIQAZJJ-ZDUSSCGKSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1ccnn1CC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571213141 953093721 /nfs/dbraw/zinc/09/37/21/953093721.db2.gz RGXDAWWSIQAZJJ-ZDUSSCGKSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1ccnn1CC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213463 953094951 /nfs/dbraw/zinc/09/49/51/953094951.db2.gz UIPJHNRIDDKQQM-STQMWFEESA-N -1 1 382.432 0.701 20 0 GCADMM Cc1ccnn1CC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213463 953094956 /nfs/dbraw/zinc/09/49/56/953094956.db2.gz UIPJHNRIDDKQQM-STQMWFEESA-N -1 1 382.432 0.701 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571213445 953095607 /nfs/dbraw/zinc/09/56/07/953095607.db2.gz TXOXCQJQTQJMET-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571213445 953095609 /nfs/dbraw/zinc/09/56/09/953095609.db2.gz TXOXCQJQTQJMET-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cn1cc(CCC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001571213802 953097838 /nfs/dbraw/zinc/09/78/38/953097838.db2.gz WCJKVJGZCXAZGH-UHFFFAOYSA-N -1 1 382.432 0.062 20 0 GCADMM Cn1cc(CCC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001571213802 953097842 /nfs/dbraw/zinc/09/78/42/953097842.db2.gz WCJKVJGZCXAZGH-UHFFFAOYSA-N -1 1 382.432 0.062 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571214134 953099071 /nfs/dbraw/zinc/09/90/71/953099071.db2.gz YLMOBHCYNBBNOH-ZDUSSCGKSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571214134 953099077 /nfs/dbraw/zinc/09/90/77/953099077.db2.gz YLMOBHCYNBBNOH-ZDUSSCGKSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571214167 953100706 /nfs/dbraw/zinc/10/07/06/953100706.db2.gz YUGCMHLKYPIMGA-NWDGAFQWSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571214167 953100708 /nfs/dbraw/zinc/10/07/08/953100708.db2.gz YUGCMHLKYPIMGA-NWDGAFQWSA-N -1 1 382.432 0.852 20 0 GCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001571214309 953101522 /nfs/dbraw/zinc/10/15/22/953101522.db2.gz WZQRLYQKFXTGOK-NSHDSACASA-N -1 1 382.471 0.593 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571216681 953103208 /nfs/dbraw/zinc/10/32/08/953103208.db2.gz BMGPBDBKTSCBHM-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571216681 953103212 /nfs/dbraw/zinc/10/32/12/953103212.db2.gz BMGPBDBKTSCBHM-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC001571216824 953104610 /nfs/dbraw/zinc/10/46/10/953104610.db2.gz AQOGDMUWCHZERZ-UHFFFAOYSA-N -1 1 383.340 0.849 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC001571216824 953104612 /nfs/dbraw/zinc/10/46/12/953104612.db2.gz AQOGDMUWCHZERZ-UHFFFAOYSA-N -1 1 383.340 0.849 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cncc(F)c3)C2)n1 ZINC001571217117 953106492 /nfs/dbraw/zinc/10/64/92/953106492.db2.gz HIJBBRODGQQYEW-LBPRGKRZSA-N -1 1 383.391 0.762 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cncc(F)c3)C2)n1 ZINC001571217117 953106494 /nfs/dbraw/zinc/10/64/94/953106494.db2.gz HIJBBRODGQQYEW-LBPRGKRZSA-N -1 1 383.391 0.762 20 0 GCADMM CC1(NC(=O)c2ccncc2F)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571217418 953108311 /nfs/dbraw/zinc/10/83/11/953108311.db2.gz LJVBIDKWMFSACM-UHFFFAOYSA-N -1 1 383.391 0.980 20 0 GCADMM CC1(NC(=O)c2ccncc2F)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571217418 953108313 /nfs/dbraw/zinc/10/83/13/953108313.db2.gz LJVBIDKWMFSACM-UHFFFAOYSA-N -1 1 383.391 0.980 20 0 GCADMM COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)on1 ZINC001571218518 953115739 /nfs/dbraw/zinc/11/57/39/953115739.db2.gz WIVSSMOIRMYTEH-BBBLOLIVSA-N -1 1 383.372 0.193 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571218567 953117203 /nfs/dbraw/zinc/11/72/03/953117203.db2.gz WZLQSHPVZOZLAD-JTQLQIEISA-N -1 1 383.372 0.065 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571218567 953117206 /nfs/dbraw/zinc/11/72/06/953117206.db2.gz WZLQSHPVZOZLAD-JTQLQIEISA-N -1 1 383.372 0.065 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571218739 953118760 /nfs/dbraw/zinc/11/87/60/953118760.db2.gz ZZVGYJVFXXECLQ-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571218739 953118761 /nfs/dbraw/zinc/11/87/61/953118761.db2.gz ZZVGYJVFXXECLQ-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccc(F)cn1 ZINC001571218962 953121582 /nfs/dbraw/zinc/12/15/82/953121582.db2.gz IBJLRDISQZPQEY-LBPRGKRZSA-N -1 1 383.391 0.980 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccc(F)cn1 ZINC001571218962 953121583 /nfs/dbraw/zinc/12/15/83/953121583.db2.gz IBJLRDISQZPQEY-LBPRGKRZSA-N -1 1 383.391 0.980 20 0 GCADMM CCCCc1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571219022 953121773 /nfs/dbraw/zinc/12/17/73/953121773.db2.gz JRUDHDZSOMEOKD-UHFFFAOYSA-N -1 1 383.412 0.902 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC001571219147 953123282 /nfs/dbraw/zinc/12/32/82/953123282.db2.gz KIPYIJKHLCIBQY-ZDUSSCGKSA-N -1 1 383.391 0.932 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC001571219147 953123284 /nfs/dbraw/zinc/12/32/84/953123284.db2.gz KIPYIJKHLCIBQY-ZDUSSCGKSA-N -1 1 383.391 0.932 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cncc(F)c1 ZINC001571219170 953123459 /nfs/dbraw/zinc/12/34/59/953123459.db2.gz LBOUGSSENYZZNQ-GWCFXTLKSA-N -1 1 383.391 0.623 20 0 GCADMM CN(C(=O)c1ccncc1F)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571219216 953124125 /nfs/dbraw/zinc/12/41/25/953124125.db2.gz MGDFGMMBSATELL-UHFFFAOYSA-N -1 1 383.391 0.932 20 0 GCADMM CN(C(=O)c1ccncc1F)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571219216 953124127 /nfs/dbraw/zinc/12/41/27/953124127.db2.gz MGDFGMMBSATELL-UHFFFAOYSA-N -1 1 383.391 0.932 20 0 GCADMM CS(=O)(=O)Nc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(Cl)c1 ZINC001571219315 953125110 /nfs/dbraw/zinc/12/51/10/953125110.db2.gz XDNBOPNWTCOVOS-UHFFFAOYSA-N -1 1 382.793 0.867 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC001571219498 953125641 /nfs/dbraw/zinc/12/56/41/953125641.db2.gz PFAMATDEDRNTKA-NSHDSACASA-N -1 1 383.391 0.932 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC001571219498 953125646 /nfs/dbraw/zinc/12/56/46/953125646.db2.gz PFAMATDEDRNTKA-NSHDSACASA-N -1 1 383.391 0.932 20 0 GCADMM CC(C)(CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Cc1ccccc1 ZINC001571219982 953128543 /nfs/dbraw/zinc/12/85/43/953128543.db2.gz WCASTWMTINKWJK-UHFFFAOYSA-N -1 1 383.412 0.514 20 0 GCADMM CC(C)[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001571220128 953129445 /nfs/dbraw/zinc/12/94/45/953129445.db2.gz XTYRZHJSRQWBGB-CYBMUJFWSA-N -1 1 383.412 0.685 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)c3ccon3)CC[C@H]2C)n1 ZINC001571222164 953131321 /nfs/dbraw/zinc/13/13/21/953131321.db2.gz DJFNVEXXBCPQFU-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)c3ccon3)CC[C@H]2C)n1 ZINC001571222164 953131324 /nfs/dbraw/zinc/13/13/24/953131324.db2.gz DJFNVEXXBCPQFU-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571222475 953134869 /nfs/dbraw/zinc/13/48/69/953134869.db2.gz GGBAJRIFRQNTNH-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571222475 953134870 /nfs/dbraw/zinc/13/48/70/953134870.db2.gz GGBAJRIFRQNTNH-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnoc2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571222643 953136602 /nfs/dbraw/zinc/13/66/02/953136602.db2.gz KINZHWMRTBCKDJ-DGCLKSJQSA-N -1 1 383.416 0.206 20 0 GCADMM CCc1nc(C)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)o1 ZINC001571222723 953137646 /nfs/dbraw/zinc/13/76/46/953137646.db2.gz KGFHESVFCDWOTD-GHMZBOCLSA-N -1 1 383.416 0.653 20 0 GCADMM CCc1nc(C)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)o1 ZINC001571222725 953137732 /nfs/dbraw/zinc/13/77/32/953137732.db2.gz KGFHESVFCDWOTD-QWRGUYRKSA-N -1 1 383.416 0.653 20 0 GCADMM COc1ccc(C2CC2)cc1CNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001571222809 953138339 /nfs/dbraw/zinc/13/83/39/953138339.db2.gz MOEBVXDKJXFBNG-UHFFFAOYSA-N -1 1 383.416 0.844 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222773 953138628 /nfs/dbraw/zinc/13/86/28/953138628.db2.gz LSEHBZPMXLPCMW-WDEREUQCSA-N -1 1 383.416 0.592 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571222808 953138714 /nfs/dbraw/zinc/13/87/14/953138714.db2.gz LLFUBHAEYSBDMO-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571222808 953138717 /nfs/dbraw/zinc/13/87/17/953138717.db2.gz LLFUBHAEYSBDMO-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM Cc1ccc(CCCC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571222786 953138909 /nfs/dbraw/zinc/13/89/09/953138909.db2.gz LBMGYPKKCBPOJM-UHFFFAOYSA-N -1 1 383.412 0.577 20 0 GCADMM CCc1noc(C)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571222872 953139695 /nfs/dbraw/zinc/13/96/95/953139695.db2.gz NEDPFEAGGJVRNK-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1noc(C)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571222872 953139698 /nfs/dbraw/zinc/13/96/98/953139698.db2.gz NEDPFEAGGJVRNK-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)CCc2ccon2)CC1 ZINC001571223011 953140460 /nfs/dbraw/zinc/14/04/60/953140460.db2.gz PDHFCPOAFTZBDS-UHFFFAOYSA-N -1 1 383.416 0.705 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)CCc2ccon2)CC1 ZINC001571223011 953140462 /nfs/dbraw/zinc/14/04/62/953140462.db2.gz PDHFCPOAFTZBDS-UHFFFAOYSA-N -1 1 383.416 0.705 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](C)(NC(=O)c3cc(C)no3)C2)n1 ZINC001571222910 953140718 /nfs/dbraw/zinc/14/07/18/953140718.db2.gz NEUKFEUIPNKSTO-QGZVFWFLSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](C)(NC(=O)c3cc(C)no3)C2)n1 ZINC001571222910 953140720 /nfs/dbraw/zinc/14/07/20/953140720.db2.gz NEUKFEUIPNKSTO-QGZVFWFLSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1ocnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571223235 953142245 /nfs/dbraw/zinc/14/22/45/953142245.db2.gz QXTHCQUMLDDKBA-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccon2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571223477 953143991 /nfs/dbraw/zinc/14/39/91/953143991.db2.gz RHFBWPCKYSIDGK-RYUDHWBXSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccon2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571223477 953143995 /nfs/dbraw/zinc/14/39/95/953143995.db2.gz RHFBWPCKYSIDGK-RYUDHWBXSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccon2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571223371 953144523 /nfs/dbraw/zinc/14/45/23/953144523.db2.gz QEWZENSYAGYMJL-YPMHNXCESA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccon2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571223371 953144525 /nfs/dbraw/zinc/14/45/25/953144525.db2.gz QEWZENSYAGYMJL-YPMHNXCESA-N -1 1 383.416 0.926 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cc3cnoc3)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571223529 953144930 /nfs/dbraw/zinc/14/49/30/953144930.db2.gz UIXIJHREPALKOB-CMPLNLGQSA-N -1 1 383.416 0.851 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cc3cnoc3)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571223529 953144934 /nfs/dbraw/zinc/14/49/34/953144934.db2.gz UIXIJHREPALKOB-CMPLNLGQSA-N -1 1 383.416 0.851 20 0 GCADMM CCc1ocnc1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571223571 953145351 /nfs/dbraw/zinc/14/53/51/953145351.db2.gz VTSUABNYAHXFQP-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ocnc1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571223571 953145352 /nfs/dbraw/zinc/14/53/52/953145352.db2.gz VTSUABNYAHXFQP-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571223888 953147693 /nfs/dbraw/zinc/14/76/93/953147693.db2.gz ZJJAXBHVNAVQDS-JQWIXIFHSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571223888 953147696 /nfs/dbraw/zinc/14/76/96/953147696.db2.gz ZJJAXBHVNAVQDS-JQWIXIFHSA-N -1 1 383.416 0.994 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H]2CN(C(=O)c3cc[nH]c3)CCO2)n1 ZINC001571224939 953151848 /nfs/dbraw/zinc/15/18/48/953151848.db2.gz GZUBUMCOTDMHFQ-FZMZJTMJSA-N -1 1 383.416 0.635 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H]2CN(C(=O)c3cc[nH]c3)CCO2)n1 ZINC001571224939 953151849 /nfs/dbraw/zinc/15/18/49/953151849.db2.gz GZUBUMCOTDMHFQ-FZMZJTMJSA-N -1 1 383.416 0.635 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)o1 ZINC001571224966 953152069 /nfs/dbraw/zinc/15/20/69/953152069.db2.gz HOYPYUXEEGQZBQ-MFKMUULPSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)o1 ZINC001571224966 953152072 /nfs/dbraw/zinc/15/20/72/953152072.db2.gz HOYPYUXEEGQZBQ-MFKMUULPSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1nc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)co1 ZINC001571224942 953152319 /nfs/dbraw/zinc/15/23/19/953152319.db2.gz HBFAJUSZEJDQDB-CMPLNLGQSA-N -1 1 383.416 0.585 20 0 GCADMM Cc1noc(C)c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571225910 953154186 /nfs/dbraw/zinc/15/41/86/953154186.db2.gz OEWBKGIXXKKATK-BXKDBHETSA-N -1 1 383.416 0.789 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)no1 ZINC001571225902 953154618 /nfs/dbraw/zinc/15/46/18/953154618.db2.gz OCZYQMNCYOKBKG-MFKMUULPSA-N -1 1 383.416 0.728 20 0 GCADMM Cc1cc(C(=O)N2CCC([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)CC2)on1 ZINC001571226419 953155477 /nfs/dbraw/zinc/15/54/77/953155477.db2.gz QKBUQUKTFBWDTP-LLVKDONJSA-N -1 1 383.416 0.728 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571225967 953155509 /nfs/dbraw/zinc/15/55/09/953155509.db2.gz PGQQZMUYXPHOJI-LBPRGKRZSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571225967 953155510 /nfs/dbraw/zinc/15/55/10/953155510.db2.gz PGQQZMUYXPHOJI-LBPRGKRZSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1noc(C)c1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571226405 953155521 /nfs/dbraw/zinc/15/55/21/953155521.db2.gz QAGCVRDPSYGZEH-UHFFFAOYSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1noc(C)c1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571226405 953155522 /nfs/dbraw/zinc/15/55/22/953155522.db2.gz QAGCVRDPSYGZEH-UHFFFAOYSA-N -1 1 383.416 0.908 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001571227739 953159236 /nfs/dbraw/zinc/15/92/36/953159236.db2.gz AZCVFMZANZFMPX-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001571227739 953159238 /nfs/dbraw/zinc/15/92/38/953159238.db2.gz AZCVFMZANZFMPX-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001571227726 953159311 /nfs/dbraw/zinc/15/93/11/953159311.db2.gz ARHVYDRPQPRBST-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001571227726 953159312 /nfs/dbraw/zinc/15/93/12/953159312.db2.gz ARHVYDRPQPRBST-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228095 953161809 /nfs/dbraw/zinc/16/18/09/953161809.db2.gz IEHSAJKKPHJZIM-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228095 953161811 /nfs/dbraw/zinc/16/18/11/953161811.db2.gz IEHSAJKKPHJZIM-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001571228099 953161922 /nfs/dbraw/zinc/16/19/22/953161922.db2.gz IKEWJPJKIVRRAD-JTQLQIEISA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)nn1 ZINC001571228184 953162617 /nfs/dbraw/zinc/16/26/17/953162617.db2.gz KHUTVRYYOXPRPX-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)nn1 ZINC001571228184 953162618 /nfs/dbraw/zinc/16/26/18/953162618.db2.gz KHUTVRYYOXPRPX-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CCc1nc(NC[C@@H]2CCCN2C(=O)c2cnn(C)n2)cc(-c2nnn[n-]2)n1 ZINC001571228238 953163297 /nfs/dbraw/zinc/16/32/97/953163297.db2.gz LNYVJMHLSQAWJQ-JTQLQIEISA-N -1 1 383.420 0.064 20 0 GCADMM CCc1nc(NC[C@@H]2CCCN2C(=O)c2cnn(C)n2)cc(-c2nn[n-]n2)n1 ZINC001571228238 953163299 /nfs/dbraw/zinc/16/32/99/953163299.db2.gz LNYVJMHLSQAWJQ-JTQLQIEISA-N -1 1 383.420 0.064 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571228289 953163740 /nfs/dbraw/zinc/16/37/40/953163740.db2.gz MTCIGSQYRGJMLW-MRXNPFEDSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571228289 953163742 /nfs/dbraw/zinc/16/37/42/953163742.db2.gz MTCIGSQYRGJMLW-MRXNPFEDSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1nncc1C(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228432 953164331 /nfs/dbraw/zinc/16/43/31/953164331.db2.gz PCQBKNKDSCCPDF-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1nncc1C(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228432 953164333 /nfs/dbraw/zinc/16/43/33/953164333.db2.gz PCQBKNKDSCCPDF-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1nncc1C(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228435 953164403 /nfs/dbraw/zinc/16/44/03/953164403.db2.gz PCQBKNKDSCCPDF-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1nncc1C(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228435 953164406 /nfs/dbraw/zinc/16/44/06/953164406.db2.gz PCQBKNKDSCCPDF-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM CCc1nc(NC[C@@H]2CCCCN2C(=O)c2cn[nH]n2)cc(-c2nn[n-]n2)n1 ZINC001571228417 953164502 /nfs/dbraw/zinc/16/45/02/953164502.db2.gz OXMCDKYZJPRYKA-JTQLQIEISA-N -1 1 383.420 0.444 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571228494 953164618 /nfs/dbraw/zinc/16/46/18/953164618.db2.gz PTPPTVOOXSVSIG-GHMZBOCLSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571228494 953164619 /nfs/dbraw/zinc/16/46/19/953164619.db2.gz PTPPTVOOXSVSIG-GHMZBOCLSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1cc(C(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)nn1 ZINC001571228509 953164755 /nfs/dbraw/zinc/16/47/55/953164755.db2.gz QCMLETWGGAKDAB-UHFFFAOYSA-N -1 1 383.420 0.421 20 0 GCADMM CCn1cc(C(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001571228509 953164758 /nfs/dbraw/zinc/16/47/58/953164758.db2.gz QCMLETWGGAKDAB-UHFFFAOYSA-N -1 1 383.420 0.421 20 0 GCADMM CCn1nncc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571228543 953165079 /nfs/dbraw/zinc/16/50/79/953165079.db2.gz REJOKMDULFIIDO-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCc1nc(NC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571228666 953166080 /nfs/dbraw/zinc/16/60/80/953166080.db2.gz VGBJNMXEGXYVJS-VHSXEESVSA-N -1 1 383.420 0.157 20 0 GCADMM CCCn1cc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001571228614 953166111 /nfs/dbraw/zinc/16/61/11/953166111.db2.gz UFQQZDYTTHNTLY-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCCn1cc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001571228614 953166112 /nfs/dbraw/zinc/16/61/12/953166112.db2.gz UFQQZDYTTHNTLY-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2n[nH]nc2C)CC1 ZINC001571228820 953167115 /nfs/dbraw/zinc/16/71/15/953167115.db2.gz VYHAFCFDXGYQPB-UHFFFAOYSA-N -1 1 383.420 0.580 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571229070 953167545 /nfs/dbraw/zinc/16/75/45/953167545.db2.gz ZGIFMNHRJSOLRY-QWRGUYRKSA-N -1 1 383.420 0.057 20 0 GCADMM CN(CCC1CCN(C(=O)c2nc[nH]n2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571229022 953168076 /nfs/dbraw/zinc/16/80/76/953168076.db2.gz YIOKDPHNVZIMEA-UHFFFAOYSA-N -1 1 383.420 0.154 20 0 GCADMM CN(CCC1CCN(C(=O)c2nc[nH]n2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571229022 953168077 /nfs/dbraw/zinc/16/80/77/953168077.db2.gz YIOKDPHNVZIMEA-UHFFFAOYSA-N -1 1 383.420 0.154 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)nn1 ZINC001571229409 953169305 /nfs/dbraw/zinc/16/93/05/953169305.db2.gz DMIRCGJRDUXNLX-XYPYZODXSA-N -1 1 383.420 0.186 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001571229409 953169308 /nfs/dbraw/zinc/16/93/08/953169308.db2.gz DMIRCGJRDUXNLX-XYPYZODXSA-N -1 1 383.420 0.186 20 0 GCADMM Cc1c(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)nnn1C ZINC001571229476 953170111 /nfs/dbraw/zinc/17/01/11/953170111.db2.gz FWZCRCQZXVNGPM-NSHDSACASA-N -1 1 383.420 0.056 20 0 GCADMM Cc1c(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)nnn1C ZINC001571229476 953170112 /nfs/dbraw/zinc/17/01/12/953170112.db2.gz FWZCRCQZXVNGPM-NSHDSACASA-N -1 1 383.420 0.056 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571229546 953170429 /nfs/dbraw/zinc/17/04/29/953170429.db2.gz IFKOIEVFQPXITC-ONGXEEELSA-N -1 1 383.420 0.497 20 0 GCADMM Cn1cnc(C(=O)N[C@H]2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571229833 953172021 /nfs/dbraw/zinc/17/20/21/953172021.db2.gz OUDMQYRAEGFLAU-QWRGUYRKSA-N -1 1 383.420 0.186 20 0 GCADMM Cn1cnc(C(=O)N[C@H]2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571229833 953172025 /nfs/dbraw/zinc/17/20/25/953172025.db2.gz OUDMQYRAEGFLAU-QWRGUYRKSA-N -1 1 383.420 0.186 20 0 GCADMM O=C(Cn1cncn1)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571229830 953172416 /nfs/dbraw/zinc/17/24/16/953172416.db2.gz OSDXPBGXMHLWEY-LBPRGKRZSA-N -1 1 383.420 0.132 20 0 GCADMM O=C(Cn1cncn1)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571229830 953172417 /nfs/dbraw/zinc/17/24/17/953172417.db2.gz OSDXPBGXMHLWEY-LBPRGKRZSA-N -1 1 383.420 0.132 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571230021 953173658 /nfs/dbraw/zinc/17/36/58/953173658.db2.gz QZFFQTHUHMUBQF-KOLCDFICSA-N -1 1 383.420 0.436 20 0 GCADMM Cc1ncsc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571230428 953176612 /nfs/dbraw/zinc/17/66/12/953176612.db2.gz CWWKFOYZGIMVKS-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM Cc1ncsc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571230428 953176613 /nfs/dbraw/zinc/17/66/13/953176613.db2.gz CWWKFOYZGIMVKS-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1scnc1C1CC1 ZINC001571230435 953176917 /nfs/dbraw/zinc/17/69/17/953176917.db2.gz DAFIUOXEQGKANF-SNVBAGLBSA-N -1 1 383.441 0.999 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1scnc1C1CC1 ZINC001571230435 953176918 /nfs/dbraw/zinc/17/69/18/953176918.db2.gz DAFIUOXEQGKANF-SNVBAGLBSA-N -1 1 383.441 0.999 20 0 GCADMM O=C(c1nccs1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571230477 953177495 /nfs/dbraw/zinc/17/74/95/953177495.db2.gz FAIWFIZJDVQNMJ-PHIMTYICSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1nccs1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571230477 953177499 /nfs/dbraw/zinc/17/74/99/953177499.db2.gz FAIWFIZJDVQNMJ-PHIMTYICSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1csc(C2CC2)n1 ZINC001571230589 953178219 /nfs/dbraw/zinc/17/82/19/953178219.db2.gz GSSCOPDKHJRBPS-JTQLQIEISA-N -1 1 383.441 0.999 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1csc(C2CC2)n1 ZINC001571230589 953178220 /nfs/dbraw/zinc/17/82/20/953178220.db2.gz GSSCOPDKHJRBPS-JTQLQIEISA-N -1 1 383.441 0.999 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571230705 953179473 /nfs/dbraw/zinc/17/94/73/953179473.db2.gz ZRCJRGBSTPXTMX-WDEREUQCSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571230705 953179478 /nfs/dbraw/zinc/17/94/78/953179478.db2.gz ZRCJRGBSTPXTMX-WDEREUQCSA-N -1 1 383.420 0.104 20 0 GCADMM O=C(c1cscn1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571230858 953181397 /nfs/dbraw/zinc/18/13/97/953181397.db2.gz LYJGHZKNZQJMJV-STQMWFEESA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1cscn1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571230858 953181401 /nfs/dbraw/zinc/18/14/01/953181401.db2.gz LYJGHZKNZQJMJV-STQMWFEESA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1ccsn1)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571230937 953181839 /nfs/dbraw/zinc/18/18/39/953181839.db2.gz NPQPIMUQQJKPKZ-PWSUYJOCSA-N -1 1 383.441 0.854 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)s1 ZINC001571230992 953181963 /nfs/dbraw/zinc/18/19/63/953181963.db2.gz PMOWPCRQHZSYOX-SCVCMEIPSA-N -1 1 383.441 0.961 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)s1 ZINC001571230992 953181968 /nfs/dbraw/zinc/18/19/68/953181968.db2.gz PMOWPCRQHZSYOX-SCVCMEIPSA-N -1 1 383.441 0.961 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1nccs1 ZINC001571231008 953182224 /nfs/dbraw/zinc/18/22/24/953182224.db2.gz PVCMUADRAIHFCC-SNVBAGLBSA-N -1 1 383.441 0.902 20 0 GCADMM O=C(CCc1cncs1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571231071 953182522 /nfs/dbraw/zinc/18/25/22/953182522.db2.gz RLVISDQTFHGSSJ-QWRGUYRKSA-N -1 1 383.441 0.536 20 0 GCADMM O=C(CCc1cncs1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571231071 953182525 /nfs/dbraw/zinc/18/25/25/953182525.db2.gz RLVISDQTFHGSSJ-QWRGUYRKSA-N -1 1 383.441 0.536 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1F ZINC001571234671 953204738 /nfs/dbraw/zinc/20/47/38/953204738.db2.gz FRJJCFVJDWNJES-UHFFFAOYSA-N -1 1 384.375 0.767 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1F ZINC001571234671 953204742 /nfs/dbraw/zinc/20/47/42/953204742.db2.gz FRJJCFVJDWNJES-UHFFFAOYSA-N -1 1 384.375 0.767 20 0 GCADMM COc1cccc(F)c1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571234826 953206332 /nfs/dbraw/zinc/20/63/32/953206332.db2.gz JPZIZFOVYSTOBZ-SNVBAGLBSA-N -1 1 384.375 0.813 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCc2nc(C(F)F)no2)cc1-c1nn[n-]n1 ZINC001571234910 953207063 /nfs/dbraw/zinc/20/70/63/953207063.db2.gz MNCYKQXDOQDMPN-UHFFFAOYSA-N -1 1 384.328 0.940 20 0 GCADMM O=C(c1ccccc1F)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571235342 953211238 /nfs/dbraw/zinc/21/12/38/953211238.db2.gz ANZZQJNFRDKBLW-NSHDSACASA-N -1 1 384.375 0.749 20 0 GCADMM O=C(c1ccccc1F)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571235342 953211242 /nfs/dbraw/zinc/21/12/42/953211242.db2.gz ANZZQJNFRDKBLW-NSHDSACASA-N -1 1 384.375 0.749 20 0 GCADMM COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571235413 953212156 /nfs/dbraw/zinc/21/21/56/953212156.db2.gz CVAMNQWXTHHULQ-YPMHNXCESA-N -1 1 384.400 0.310 20 0 GCADMM NC(=O)[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC001571235367 953212165 /nfs/dbraw/zinc/21/21/65/953212165.db2.gz BLMSFLVTMBELPL-LLVKDONJSA-N -1 1 384.375 0.867 20 0 GCADMM NC(=O)[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC001571235367 953212166 /nfs/dbraw/zinc/21/21/66/953212166.db2.gz BLMSFLVTMBELPL-LLVKDONJSA-N -1 1 384.375 0.867 20 0 GCADMM COCc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)o1 ZINC001571235628 953214683 /nfs/dbraw/zinc/21/46/83/953214683.db2.gz LHROQHBXXQESRJ-PWSUYJOCSA-N -1 1 384.400 0.793 20 0 GCADMM COCc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)o1 ZINC001571235628 953214684 /nfs/dbraw/zinc/21/46/84/953214684.db2.gz LHROQHBXXQESRJ-PWSUYJOCSA-N -1 1 384.400 0.793 20 0 GCADMM COCc1ccc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571235733 953214983 /nfs/dbraw/zinc/21/49/83/953214983.db2.gz PBBHSBRLIIIZNW-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM COCc1ccc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571235733 953214987 /nfs/dbraw/zinc/21/49/87/953214987.db2.gz PBBHSBRLIIIZNW-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM CNC(=O)NC[C@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCO1 ZINC001571236401 953217299 /nfs/dbraw/zinc/21/72/99/953217299.db2.gz YVIWRXMRKHSVOY-JTQLQIEISA-N -1 1 384.400 0.118 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001571236682 953217937 /nfs/dbraw/zinc/21/79/37/953217937.db2.gz BFULCECFTLASFR-VHSXEESVSA-N -1 1 384.404 0.201 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001571236682 953217939 /nfs/dbraw/zinc/21/79/39/953217939.db2.gz BFULCECFTLASFR-VHSXEESVSA-N -1 1 384.404 0.201 20 0 GCADMM O=C(COc1ccc(F)cc1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571236417 953218271 /nfs/dbraw/zinc/21/82/71/953218271.db2.gz ZJIOWROMARRMSY-LBPRGKRZSA-N -1 1 384.375 0.888 20 0 GCADMM O=C(COc1ccc(F)cc1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571236417 953218272 /nfs/dbraw/zinc/21/82/72/953218272.db2.gz ZJIOWROMARRMSY-LBPRGKRZSA-N -1 1 384.375 0.888 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCO[C@@H](c2cnn(C)c2)C1 ZINC001571236931 953218656 /nfs/dbraw/zinc/21/86/56/953218656.db2.gz CYUHIEOBMWWOJO-DGCLKSJQSA-N -1 1 384.400 0.659 20 0 GCADMM Cc1occc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001571236987 953219545 /nfs/dbraw/zinc/21/95/45/953219545.db2.gz DTCHZDGQKIMNHK-GFCCVEGCSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1occc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001571236987 953219548 /nfs/dbraw/zinc/21/95/48/953219548.db2.gz DTCHZDGQKIMNHK-GFCCVEGCSA-N -1 1 384.400 0.583 20 0 GCADMM COc1ccc(C(=O)N[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)o1 ZINC001571236998 953220022 /nfs/dbraw/zinc/22/00/22/953220022.db2.gz DZNFWEHKOGWGHG-LBPRGKRZSA-N -1 1 384.400 0.903 20 0 GCADMM COc1ccc(C(=O)N[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)o1 ZINC001571236998 953220025 /nfs/dbraw/zinc/22/00/25/953220025.db2.gz DZNFWEHKOGWGHG-LBPRGKRZSA-N -1 1 384.400 0.903 20 0 GCADMM Cc1occc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237513 953222113 /nfs/dbraw/zinc/22/21/13/953222113.db2.gz JLSGNPLRYDJAIX-IINYFYTJSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1occc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237513 953222115 /nfs/dbraw/zinc/22/21/15/953222115.db2.gz JLSGNPLRYDJAIX-IINYFYTJSA-N -1 1 384.400 0.900 20 0 GCADMM CCOc1cc(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)[nH]n1 ZINC001571237650 953222358 /nfs/dbraw/zinc/22/23/58/953222358.db2.gz KQYDHOTZMQYZGM-UHFFFAOYSA-N -1 1 384.404 0.049 20 0 GCADMM CCOc1cc(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)[nH]n1 ZINC001571237650 953222361 /nfs/dbraw/zinc/22/23/61/953222361.db2.gz KQYDHOTZMQYZGM-UHFFFAOYSA-N -1 1 384.404 0.049 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571237519 953222557 /nfs/dbraw/zinc/22/25/57/953222557.db2.gz JOGWGHPYGIOIAB-BXKDBHETSA-N -1 1 384.404 0.351 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571237519 953222560 /nfs/dbraw/zinc/22/25/60/953222560.db2.gz JOGWGHPYGIOIAB-BXKDBHETSA-N -1 1 384.404 0.351 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnon2)CC[C@@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571237928 953223780 /nfs/dbraw/zinc/22/37/80/953223780.db2.gz OIVIVKLSCINIOC-QWRGUYRKSA-N -1 1 384.404 0.701 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnon2)CC[C@@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571237928 953223783 /nfs/dbraw/zinc/22/37/83/953223783.db2.gz OIVIVKLSCINIOC-QWRGUYRKSA-N -1 1 384.404 0.701 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)[nH]n1 ZINC001571237990 953224045 /nfs/dbraw/zinc/22/40/45/953224045.db2.gz QAIZGCYFRFKJIZ-SNVBAGLBSA-N -1 1 384.404 0.495 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001571237990 953224049 /nfs/dbraw/zinc/22/40/49/953224049.db2.gz QAIZGCYFRFKJIZ-SNVBAGLBSA-N -1 1 384.404 0.495 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnon2)CC[C@@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571237927 953224228 /nfs/dbraw/zinc/22/42/28/953224228.db2.gz OIVIVKLSCINIOC-MNOVXSKESA-N -1 1 384.404 0.701 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnon2)CC[C@@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571237927 953224233 /nfs/dbraw/zinc/22/42/33/953224233.db2.gz OIVIVKLSCINIOC-MNOVXSKESA-N -1 1 384.404 0.701 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccnc(OCC3CC3)c2)n(C)c1=O ZINC001571237924 953224333 /nfs/dbraw/zinc/22/43/33/953224333.db2.gz OFCLUQLYAFXICZ-UHFFFAOYSA-N -1 1 384.400 0.060 20 0 GCADMM Cc1ccoc1C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238215 953226077 /nfs/dbraw/zinc/22/60/77/953226077.db2.gz WTYHALNKEBLFRN-QGZVFWFLSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1ccoc1C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238215 953226082 /nfs/dbraw/zinc/22/60/82/953226082.db2.gz WTYHALNKEBLFRN-QGZVFWFLSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1ccoc1C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238214 953226183 /nfs/dbraw/zinc/22/61/83/953226183.db2.gz WTYHALNKEBLFRN-KRWDZBQOSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1ccoc1C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238214 953226185 /nfs/dbraw/zinc/22/61/85/953226185.db2.gz WTYHALNKEBLFRN-KRWDZBQOSA-N -1 1 384.400 0.637 20 0 GCADMM COc1ccc([C@H](CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)NC(C)=O)cc1 ZINC001571238220 953226528 /nfs/dbraw/zinc/22/65/28/953226528.db2.gz WVVQKTSWURYKKI-AWEZNQCLSA-N -1 1 384.400 0.815 20 0 GCADMM COc1ccc([C@H](CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)NC(C)=O)cc1 ZINC001571238220 953226532 /nfs/dbraw/zinc/22/65/32/953226532.db2.gz WVVQKTSWURYKKI-AWEZNQCLSA-N -1 1 384.400 0.815 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)c2cnon2)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238334 953227999 /nfs/dbraw/zinc/22/79/99/953227999.db2.gz ZWVKGLPEYJOTAZ-JTQLQIEISA-N -1 1 384.404 0.465 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]c1=O ZINC001571238375 953228399 /nfs/dbraw/zinc/22/83/99/953228399.db2.gz AVYJBUBIHDEYDJ-NXEZZACHSA-N -1 1 384.404 0.106 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]c1=O ZINC001571238376 953228444 /nfs/dbraw/zinc/22/84/44/953228444.db2.gz AVYJBUBIHDEYDJ-UWVGGRQHSA-N -1 1 384.404 0.106 20 0 GCADMM COc1nn(C)cc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571238459 953228661 /nfs/dbraw/zinc/22/86/61/953228661.db2.gz DEFDGSAUAFKCAB-UWVGGRQHSA-N -1 1 384.404 0.114 20 0 GCADMM COc1nn(C)cc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571238459 953228664 /nfs/dbraw/zinc/22/86/64/953228664.db2.gz DEFDGSAUAFKCAB-UWVGGRQHSA-N -1 1 384.404 0.114 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238632 953231589 /nfs/dbraw/zinc/23/15/89/953231589.db2.gz ISBKWUIMENBPHC-JOYOIKCWSA-N -1 1 384.404 0.030 20 0 GCADMM CN(CCC1CCN(C(=O)c2cnon2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571238717 953232303 /nfs/dbraw/zinc/23/23/03/953232303.db2.gz KTIIFNLVDBPOSE-UHFFFAOYSA-N -1 1 384.404 0.418 20 0 GCADMM Cn1cc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)[nH]c1=O ZINC001571238720 953232676 /nfs/dbraw/zinc/23/26/76/953232676.db2.gz LDAXTEXRXZSJEQ-SNVBAGLBSA-N -1 1 384.404 0.203 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239018 953235104 /nfs/dbraw/zinc/23/51/04/953235104.db2.gz PFDKEOTWQFFRDV-PSASIEDQSA-N -1 1 384.404 0.181 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239018 953235106 /nfs/dbraw/zinc/23/51/06/953235106.db2.gz PFDKEOTWQFFRDV-PSASIEDQSA-N -1 1 384.404 0.181 20 0 GCADMM Cc1nnc(CC(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571239824 953242690 /nfs/dbraw/zinc/24/26/90/953242690.db2.gz YZFLNYWLGYQYFT-GHMZBOCLSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nnc(CC(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571239824 953242692 /nfs/dbraw/zinc/24/26/92/953242692.db2.gz YZFLNYWLGYQYFT-GHMZBOCLSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571239813 953242961 /nfs/dbraw/zinc/24/29/61/953242961.db2.gz YPPDECQWXMIVNP-SNVBAGLBSA-N -1 1 384.404 0.039 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571239813 953242964 /nfs/dbraw/zinc/24/29/64/953242964.db2.gz YPPDECQWXMIVNP-SNVBAGLBSA-N -1 1 384.404 0.039 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239777 953243041 /nfs/dbraw/zinc/24/30/41/953243041.db2.gz XRVMJDVWTPQKJH-NXEZZACHSA-N -1 1 384.404 0.547 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239777 953243045 /nfs/dbraw/zinc/24/30/45/953243045.db2.gz XRVMJDVWTPQKJH-NXEZZACHSA-N -1 1 384.404 0.547 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)c1csnn1 ZINC001571241675 953248962 /nfs/dbraw/zinc/24/89/62/953248962.db2.gz HXBXOTKFFKQJAO-UWVGGRQHSA-N -1 1 384.429 0.083 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)c1cnns1 ZINC001571241810 953249552 /nfs/dbraw/zinc/24/95/52/953249552.db2.gz MEFTYLGOMIGIGP-AEJSXWLSSA-N -1 1 384.429 0.296 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)c1cnns1 ZINC001571241810 953249557 /nfs/dbraw/zinc/24/95/57/953249557.db2.gz MEFTYLGOMIGIGP-AEJSXWLSSA-N -1 1 384.429 0.296 20 0 GCADMM O=C(c1csnn1)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571242098 953253175 /nfs/dbraw/zinc/25/31/75/953253175.db2.gz UVKLRHQTIVVAOG-HNNXBMFYSA-N -1 1 384.429 0.251 20 0 GCADMM O=C(c1csnn1)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571242098 953253177 /nfs/dbraw/zinc/25/31/77/953253177.db2.gz UVKLRHQTIVVAOG-HNNXBMFYSA-N -1 1 384.429 0.251 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001571242253 953254494 /nfs/dbraw/zinc/25/44/94/953254494.db2.gz CHQCWKFYPZQMGU-IPYPFGDCSA-N -1 1 384.444 0.651 20 0 GCADMM CO[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CC1 ZINC001571242557 953257726 /nfs/dbraw/zinc/25/77/26/953257726.db2.gz IZEDKTBINPBUDE-DVOMOZLQSA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001571242557 953257733 /nfs/dbraw/zinc/25/77/33/953257733.db2.gz IZEDKTBINPBUDE-DVOMOZLQSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571242595 953257988 /nfs/dbraw/zinc/25/79/88/953257988.db2.gz JTTXIMPVOYHQHA-MBNYWOFBSA-N -1 1 384.444 0.732 20 0 GCADMM C[C@@H]1CN(C(=O)[C@@H]2CC23CCOCC3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571242595 953257991 /nfs/dbraw/zinc/25/79/91/953257991.db2.gz JTTXIMPVOYHQHA-MBNYWOFBSA-N -1 1 384.444 0.732 20 0 GCADMM CO[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001571242657 953258632 /nfs/dbraw/zinc/25/86/32/953258632.db2.gz LBCQSXSGUIAXEL-IAISJRAMSA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nnn[n-]2)n1)C1CCC1 ZINC001571242736 953259455 /nfs/dbraw/zinc/25/94/55/953259455.db2.gz MYDJANXAWOOJDO-KCQAQPDRSA-N -1 1 384.444 0.570 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nn[n-]n2)n1)C1CCC1 ZINC001571242736 953259456 /nfs/dbraw/zinc/25/94/56/953259456.db2.gz MYDJANXAWOOJDO-KCQAQPDRSA-N -1 1 384.444 0.570 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571242829 953259944 /nfs/dbraw/zinc/25/99/44/953259944.db2.gz OWZCKHSMBGIEGR-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571242829 953259949 /nfs/dbraw/zinc/25/99/49/953259949.db2.gz OWZCKHSMBGIEGR-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nnn[n-]4)nc(CC)n3)C[C@H]21 ZINC001571242793 953260189 /nfs/dbraw/zinc/26/01/89/953260189.db2.gz OAWWWJCRDULFOH-XPLGWORNSA-N -1 1 384.444 0.195 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nn[n-]n4)nc(CC)n3)C[C@H]21 ZINC001571242793 953260191 /nfs/dbraw/zinc/26/01/91/953260191.db2.gz OAWWWJCRDULFOH-XPLGWORNSA-N -1 1 384.444 0.195 20 0 GCADMM C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571242847 953260331 /nfs/dbraw/zinc/26/03/31/953260331.db2.gz PITKIPQMRBHPQR-JYKNGBAOSA-N -1 1 384.444 0.010 20 0 GCADMM COC1CC(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)C1 ZINC001571242917 953261143 /nfs/dbraw/zinc/26/11/43/953261143.db2.gz QYLFJQTVHHQEBW-KJBLDROHSA-N -1 1 384.444 0.511 20 0 GCADMM COC1CC(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)C1 ZINC001571242917 953261146 /nfs/dbraw/zinc/26/11/46/953261146.db2.gz QYLFJQTVHHQEBW-KJBLDROHSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC001571243046 953262469 /nfs/dbraw/zinc/26/24/69/953262469.db2.gz UOEAPYOKMVXRLX-TZMCWYRMSA-N -1 1 384.444 0.464 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571243070 953262764 /nfs/dbraw/zinc/26/27/64/953262764.db2.gz VCTPBBWIPYXBGA-QVHKTLOISA-N -1 1 384.444 0.651 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571243070 953262765 /nfs/dbraw/zinc/26/27/65/953262765.db2.gz VCTPBBWIPYXBGA-QVHKTLOISA-N -1 1 384.444 0.651 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CCC(O)CC2)n1 ZINC001571243137 953263525 /nfs/dbraw/zinc/26/35/25/953263525.db2.gz WZGQNZDXAFIRRX-KJZWCNOPSA-N -1 1 384.444 0.067 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CCC(O)CC2)n1 ZINC001571243137 953263526 /nfs/dbraw/zinc/26/35/26/953263526.db2.gz WZGQNZDXAFIRRX-KJZWCNOPSA-N -1 1 384.444 0.067 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571243168 953263535 /nfs/dbraw/zinc/26/35/35/953263535.db2.gz XYEPUXPFCGDEBU-JMUUTAKRSA-N -1 1 384.444 0.731 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571243168 953263537 /nfs/dbraw/zinc/26/35/37/953263537.db2.gz XYEPUXPFCGDEBU-JMUUTAKRSA-N -1 1 384.444 0.731 20 0 GCADMM O=C([C@@H]1CCCOC1)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571247675 953284074 /nfs/dbraw/zinc/28/40/74/953284074.db2.gz BMQUJXAFEZMPMV-ACJLOTCBSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1CCCOC1)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571247675 953284078 /nfs/dbraw/zinc/28/40/78/953284078.db2.gz BMQUJXAFEZMPMV-ACJLOTCBSA-N -1 1 384.444 0.512 20 0 GCADMM Cc1sccc1CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571247900 953287299 /nfs/dbraw/zinc/28/72/99/953287299.db2.gz HVXJFCJUGPWRFP-ZWNOBZJWSA-N -1 1 384.469 0.950 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CC2(C1)CCOCC2 ZINC001571248032 953288852 /nfs/dbraw/zinc/28/88/52/953288852.db2.gz CIAJJWXJFAHBPX-JOCQHMNTSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CC2(C1)CCOCC2 ZINC001571248032 953288855 /nfs/dbraw/zinc/28/88/55/953288855.db2.gz CIAJJWXJFAHBPX-JOCQHMNTSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)[C@@H]1CCCC12CC2 ZINC001571248139 953289998 /nfs/dbraw/zinc/28/99/98/953289998.db2.gz FCVFMFLFCXKXQT-OLZOCXBDSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)[C@@H]1CCCC12CC2 ZINC001571248139 953290002 /nfs/dbraw/zinc/29/00/02/953290002.db2.gz FCVFMFLFCXKXQT-OLZOCXBDSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C[C@H]1CCCO1)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571248524 953294502 /nfs/dbraw/zinc/29/45/02/953294502.db2.gz FIDLNXMYJCPLLT-TZMCWYRMSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@H]1CCCO1)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571248524 953294506 /nfs/dbraw/zinc/29/45/06/953294506.db2.gz FIDLNXMYJCPLLT-TZMCWYRMSA-N -1 1 384.444 0.701 20 0 GCADMM O=C([C@@H]1CCCOCC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571248564 953295491 /nfs/dbraw/zinc/29/54/91/953295491.db2.gz GPGZEUZJZJRLIG-MCIONIFRSA-N -1 1 384.444 0.653 20 0 GCADMM O=C([C@@H]1CCCOCC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571248564 953295494 /nfs/dbraw/zinc/29/54/94/953295494.db2.gz GPGZEUZJZJRLIG-MCIONIFRSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)[C@H]1CCCC2(CC2)C1 ZINC001571248567 953295550 /nfs/dbraw/zinc/29/55/50/953295550.db2.gz GQMFCSZWNKEDCZ-YUTCNCBUSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)[C@H]1CCCC2(CC2)C1 ZINC001571248567 953295554 /nfs/dbraw/zinc/29/55/54/953295554.db2.gz GQMFCSZWNKEDCZ-YUTCNCBUSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)[C@@]12C[C@@H]1CCCC2 ZINC001571248922 953298875 /nfs/dbraw/zinc/29/88/75/953298875.db2.gz MCHVASGHLUQKDD-JCGVRSQUSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)[C@@]12C[C@@H]1CCCC2 ZINC001571248922 953298877 /nfs/dbraw/zinc/29/88/77/953298877.db2.gz MCHVASGHLUQKDD-JCGVRSQUSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571248983 953299286 /nfs/dbraw/zinc/29/92/86/953299286.db2.gz NHEWTPQDLWHGNZ-JLNYLFASSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571248983 953299288 /nfs/dbraw/zinc/29/92/88/953299288.db2.gz NHEWTPQDLWHGNZ-JLNYLFASSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@@H]1CCCCO1 ZINC001571249399 953304989 /nfs/dbraw/zinc/30/49/89/953304989.db2.gz PISGOZIMELDYAD-LXIYXOSZSA-N -1 1 384.444 0.843 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CC12CCOCC2 ZINC001571250355 953310726 /nfs/dbraw/zinc/31/07/26/953310726.db2.gz QYWQWUUDHXDPFL-QWHCGFSZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CC12CCOCC2 ZINC001571250355 953310730 /nfs/dbraw/zinc/31/07/30/953310730.db2.gz QYWQWUUDHXDPFL-QWHCGFSZSA-N -1 1 384.444 0.558 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2C)n1 ZINC001571250455 953311043 /nfs/dbraw/zinc/31/10/43/953311043.db2.gz RSEXMGKOMDOIBA-SYZWTGEBSA-N -1 1 384.444 0.791 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2C)n1 ZINC001571250455 953311049 /nfs/dbraw/zinc/31/10/49/953311049.db2.gz RSEXMGKOMDOIBA-SYZWTGEBSA-N -1 1 384.444 0.791 20 0 GCADMM O=C(NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CCC1 ZINC001571250422 953311621 /nfs/dbraw/zinc/31/16/21/953311621.db2.gz RJEQJXKUQGSRHL-MELADBBJSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571250422 953311625 /nfs/dbraw/zinc/31/16/25/953311625.db2.gz RJEQJXKUQGSRHL-MELADBBJSA-N -1 1 384.444 0.414 20 0 GCADMM CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571250857 953313196 /nfs/dbraw/zinc/31/31/96/953313196.db2.gz UINWEFWMDFSUBS-SNVBAGLBSA-N -1 1 384.487 0.894 20 0 GCADMM O=C(NC1(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1)[C@@H]1CCCO1 ZINC001571251231 953315472 /nfs/dbraw/zinc/31/54/72/953315472.db2.gz SWBGQOABRNOTRR-AWEZNQCLSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(NC1(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1)[C@@H]1CCCO1 ZINC001571251231 953315475 /nfs/dbraw/zinc/31/54/75/953315475.db2.gz SWBGQOABRNOTRR-AWEZNQCLSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C(C1CC1)C1CC1)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571251217 953315764 /nfs/dbraw/zinc/31/57/64/953315764.db2.gz SSQATQGLCABDNX-ZDUSSCGKSA-N -1 1 384.444 0.732 20 0 GCADMM O=C(C(C1CC1)C1CC1)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571251217 953315769 /nfs/dbraw/zinc/31/57/69/953315769.db2.gz SSQATQGLCABDNX-ZDUSSCGKSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@@H]1CCCO1)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571251277 953316261 /nfs/dbraw/zinc/31/62/61/953316261.db2.gz TUVHOYNGEAJSFV-YEWDVWPNSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@@H]1CCCO1)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571251277 953316264 /nfs/dbraw/zinc/31/62/64/953316264.db2.gz TUVHOYNGEAJSFV-YEWDVWPNSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(C[C@H]1CCOC1)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571251280 953316340 /nfs/dbraw/zinc/31/63/40/953316340.db2.gz TVYCWGXGJCNVIS-CHWSQXEVSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(CC1(O)CCC1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571251252 953316661 /nfs/dbraw/zinc/31/66/61/953316661.db2.gz SXYHIQSHUYVZKL-OCCSQVGLSA-N -1 1 384.444 0.389 20 0 GCADMM O=C(CC1(O)CCC1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571251252 953316664 /nfs/dbraw/zinc/31/66/64/953316664.db2.gz SXYHIQSHUYVZKL-OCCSQVGLSA-N -1 1 384.444 0.389 20 0 GCADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571251746 953319514 /nfs/dbraw/zinc/31/95/14/953319514.db2.gz VVZGWOHLWQZRQR-RMRHIDDWSA-N -1 1 384.444 0.154 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571251779 953319539 /nfs/dbraw/zinc/31/95/39/953319539.db2.gz WWCUDRIOGOIFEV-MELADBBJSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571251779 953319546 /nfs/dbraw/zinc/31/95/46/953319546.db2.gz WWCUDRIOGOIFEV-MELADBBJSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(C[C@@H]1CCCCO1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571252168 953324604 /nfs/dbraw/zinc/32/46/04/953324604.db2.gz XPCUEDPTTIFSGD-KCQAQPDRSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(C[C@@H]1CCCCO1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571252168 953324608 /nfs/dbraw/zinc/32/46/08/953324608.db2.gz XPCUEDPTTIFSGD-KCQAQPDRSA-N -1 1 384.444 0.653 20 0 GCADMM O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571252407 953327171 /nfs/dbraw/zinc/32/71/71/953327171.db2.gz ZXJFNEFNVZWFLS-ACJLOTCBSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571252407 953327176 /nfs/dbraw/zinc/32/71/76/953327176.db2.gz ZXJFNEFNVZWFLS-ACJLOTCBSA-N -1 1 384.444 0.512 20 0 GCADMM COCc1cc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)no1 ZINC001571255001 953343886 /nfs/dbraw/zinc/34/38/86/953343886.db2.gz DMSJWAYNAPZIQA-UHFFFAOYSA-N -1 1 385.388 0.190 20 0 GCADMM COc1nc(C(=O)N[C@H]2C[C@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)co1 ZINC001571255048 953345292 /nfs/dbraw/zinc/34/52/92/953345292.db2.gz GFACECRYPFWYOG-MGCOHNPYSA-N -1 1 385.388 0.582 20 0 GCADMM COc1nc(C(=O)N[C@H]2C[C@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)co1 ZINC001571255048 953345295 /nfs/dbraw/zinc/34/52/95/953345295.db2.gz GFACECRYPFWYOG-MGCOHNPYSA-N -1 1 385.388 0.582 20 0 GCADMM COc1nc(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)co1 ZINC001571255359 953347974 /nfs/dbraw/zinc/34/79/74/953347974.db2.gz IRKKVRXKGKMUDY-UHFFFAOYSA-N -1 1 385.388 0.228 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1ccnn1C1CCCCC1 ZINC001571255287 953347985 /nfs/dbraw/zinc/34/79/85/953347985.db2.gz HKEGPYQWZWLMNX-UHFFFAOYSA-N -1 1 385.388 0.469 20 0 GCADMM CCc1cc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571255322 953348014 /nfs/dbraw/zinc/34/80/14/953348014.db2.gz HXGBAQGZIYAKIN-NSHDSACASA-N -1 1 385.388 0.160 20 0 GCADMM CCc1cc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571255322 953348018 /nfs/dbraw/zinc/34/80/18/953348018.db2.gz HXGBAQGZIYAKIN-NSHDSACASA-N -1 1 385.388 0.160 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571255311 953348256 /nfs/dbraw/zinc/34/82/56/953348256.db2.gz HUUSAMPHCVDPNE-LDYMZIIASA-N -1 1 385.388 0.534 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571255311 953348258 /nfs/dbraw/zinc/34/82/58/953348258.db2.gz HUUSAMPHCVDPNE-LDYMZIIASA-N -1 1 385.388 0.534 20 0 GCADMM COc1ccccc1[C@H](C)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571255367 953348498 /nfs/dbraw/zinc/34/84/98/953348498.db2.gz ISTVRMQNWLPBDZ-JTQLQIEISA-N -1 1 385.384 0.405 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)co1 ZINC001571255740 953353755 /nfs/dbraw/zinc/35/37/55/953353755.db2.gz MFOIIPDJDAAHTF-ZJUUUORDSA-N -1 1 385.388 0.759 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)co1 ZINC001571255740 953353763 /nfs/dbraw/zinc/35/37/63/953353763.db2.gz MFOIIPDJDAAHTF-ZJUUUORDSA-N -1 1 385.388 0.759 20 0 GCADMM COc1nc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)co1 ZINC001571255701 953354788 /nfs/dbraw/zinc/35/47/88/953354788.db2.gz LMEIPQAEKWUXSS-SNVBAGLBSA-N -1 1 385.388 0.678 20 0 GCADMM COc1nc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)co1 ZINC001571255701 953354800 /nfs/dbraw/zinc/35/48/00/953354800.db2.gz LMEIPQAEKWUXSS-SNVBAGLBSA-N -1 1 385.388 0.678 20 0 GCADMM O=C([O-])[C@H]1CC(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)=NN1c1ccccc1 ZINC001594777970 953606591 /nfs/dbraw/zinc/60/65/91/953606591.db2.gz UMQAMLXRNUAVON-KGLIPLIRSA-N -1 1 384.396 0.992 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)NCc2nnc([C@H]3CCOC3)[nH]2)=NN1c1ccccc1 ZINC001594778092 953608070 /nfs/dbraw/zinc/60/80/70/953608070.db2.gz YOHGNBNAUQKLGJ-FZMZJTMJSA-N -1 1 384.396 0.644 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)NCc2n[nH]c([C@H]3CCOC3)n2)=NN1c1ccccc1 ZINC001594778092 953608079 /nfs/dbraw/zinc/60/80/79/953608079.db2.gz YOHGNBNAUQKLGJ-FZMZJTMJSA-N -1 1 384.396 0.644 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000566234739 953621984 /nfs/dbraw/zinc/62/19/84/953621984.db2.gz MQFNOQFMMBKPIM-SVRRBLITSA-N -1 1 387.322 0.895 20 0 GCADMM O=C([O-])C1(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CCOCC1 ZINC001594785146 953661183 /nfs/dbraw/zinc/66/11/83/953661183.db2.gz MOFKJMXWVXKRFO-HNNXBMFYSA-N -1 1 392.456 0.767 20 0 GCADMM CCc1ncc(CNC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)[nH]1 ZINC001593649853 953703111 /nfs/dbraw/zinc/70/31/11/953703111.db2.gz OGTNUFRKZLREOC-KRWDZBQOSA-N -1 1 382.417 0.679 20 0 GCADMM C[C@@H]1CCCN1C(=O)CC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001589332236 953950135 /nfs/dbraw/zinc/95/01/35/953950135.db2.gz DKRRFTCXNUQHRK-NQBHXWOUSA-N -1 1 379.379 0.984 20 0 GCADMM CN(C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001593701997 954124832 /nfs/dbraw/zinc/12/48/32/954124832.db2.gz OZSYFTZCVXCTOS-QWHCGFSZSA-N -1 1 383.470 0.966 20 0 GCADMM O=C([O-])C1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CCS(=O)(=O)CC1 ZINC001594850895 954185977 /nfs/dbraw/zinc/18/59/77/954185977.db2.gz SGNHDLCZHDTVNE-GFCCVEGCSA-N -1 1 396.469 0.668 20 0 GCADMM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[C@@H]1C(=O)[O-] ZINC001589374285 954235943 /nfs/dbraw/zinc/23/59/43/954235943.db2.gz CWJUZMJOSYYAJS-ZJUUUORDSA-N -1 1 376.381 0.812 20 0 GCADMM C[C@@H]1CN(C(=O)CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)CC(C)(C)O1 ZINC001589374256 954236409 /nfs/dbraw/zinc/23/64/09/954236409.db2.gz CDADGWQXXNIUMK-ILXRZTDVSA-N -1 1 378.473 0.936 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(O)cc1O ZINC001594889184 954498096 /nfs/dbraw/zinc/49/80/96/954498096.db2.gz JNWSEUAIYJXDOC-KOLCDFICSA-N -1 1 376.287 0.834 20 0 GCADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cncc(O)c1 ZINC001594889245 954500372 /nfs/dbraw/zinc/50/03/72/954500372.db2.gz JYSQYSXTHSOXFP-CMPLNLGQSA-N -1 1 375.303 0.452 20 0 GCADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccnc2ccnn21 ZINC001594890198 954512571 /nfs/dbraw/zinc/51/25/71/954512571.db2.gz PHYMFXOMCVKURZ-LDYMZIIASA-N -1 1 385.302 0.466 20 0 GCADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)COCc1ccncc1 ZINC001594890171 954513095 /nfs/dbraw/zinc/51/30/95/954513095.db2.gz PGHWQJWYDUPJFB-DGCLKSJQSA-N -1 1 389.330 0.721 20 0 GCADMM O=C([O-])[C@H]1CC(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)=NN1c1ccccc1 ZINC001594900872 954629440 /nfs/dbraw/zinc/62/94/40/954629440.db2.gz NXWOZKFMWOOWCC-CHWSQXEVSA-N -1 1 387.425 0.536 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)=NN1c1ccccc1 ZINC001594900874 954629840 /nfs/dbraw/zinc/62/98/40/954629840.db2.gz NXWOZKFMWOOWCC-QWHCGFSZSA-N -1 1 387.425 0.536 20 0 GCADMM CN1CCN(CCOc2ccc(NC(=O)[C@]3(C(=O)[O-])CCCO3)cc2)CC1 ZINC001593784677 954688824 /nfs/dbraw/zinc/68/88/24/954688824.db2.gz PPINXKDKVUBIER-IBGZPJMESA-N -1 1 377.441 0.885 20 0 GCADMM 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GCADMM NC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000628834905 531124832 /nfs/dbraw/zinc/12/48/32/531124832.db2.gz SXFKUIDBCNMSSI-JTQLQIEISA-N -1 1 380.253 0.748 20 0 GCADMM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549806825 531129603 /nfs/dbraw/zinc/12/96/03/531129603.db2.gz UMGLELCDSFUEPU-ZJUUUORDSA-N -1 1 387.380 0.538 20 0 GCADMM COC(=O)CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)OC ZINC000549815045 531129739 /nfs/dbraw/zinc/12/97/39/531129739.db2.gz UFBMNERLHYSWDW-ZETCQYMHSA-N -1 1 387.336 0.212 20 0 GCADMM COC(=O)[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000433468796 531130466 /nfs/dbraw/zinc/13/04/66/531130466.db2.gz UTDHWCTYUKNRRM-VHSXEESVSA-N -1 1 394.446 0.817 20 0 GCADMM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645743871 531131829 /nfs/dbraw/zinc/13/18/29/531131829.db2.gz ZSDWDFZORCOJTQ-QMMMGPOBSA-N -1 1 375.394 0.707 20 0 GCADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000615222774 531144484 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20 0 GCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@H]3CCCC[C@H]32)o1 ZINC000438953372 531157368 /nfs/dbraw/zinc/15/73/68/531157368.db2.gz OJKPFEKLRGNSEZ-PWSUYJOCSA-N -1 1 387.483 0.543 20 0 GCADMM Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1S(N)(=O)=O ZINC000679114443 531155271 /nfs/dbraw/zinc/15/52/71/531155271.db2.gz ZLXQXNJYCRKBDV-UHFFFAOYSA-N -1 1 385.423 0.248 20 0 GCADMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000438756913 531155878 /nfs/dbraw/zinc/15/58/78/531155878.db2.gz KEOOXABMJWVAHJ-DEOSSOPVSA-N -1 1 379.419 0.755 20 0 GCADMM O=C1NC(=O)[C@]2(CCC[C@H]2C[N-]S(=O)(=O)c2ccc(Br)o2)N1 ZINC000680534152 531161500 /nfs/dbraw/zinc/16/15/00/531161500.db2.gz CVRZTSJFEAOKIO-JVXZTZIISA-N -1 1 392.231 0.699 20 0 GCADMM Cc1noc(CCCN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)n1 ZINC000439290064 531160578 /nfs/dbraw/zinc/16/05/78/531160578.db2.gz SOEVRVTWKGVSTE-UHFFFAOYSA-N -1 1 385.412 0.761 20 0 GCADMM O=C1NC(=O)[C@@]2(CCC[C@@H]2C[N-]S(=O)(=O)c2ccc(Br)o2)N1 ZINC000680534154 531161675 /nfs/dbraw/zinc/16/16/75/531161675.db2.gz CVRZTSJFEAOKIO-KRTXAFLBSA-N -1 1 392.231 0.699 20 0 GCADMM COCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000629331391 531165856 /nfs/dbraw/zinc/16/58/56/531165856.db2.gz PLKQIAREXYJSGY-OAHLLOKOSA-N -1 1 392.499 0.778 20 0 GCADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CC[S@](=O)C1 ZINC000564487704 531174300 /nfs/dbraw/zinc/17/43/00/531174300.db2.gz FOXAWRFTGVGUQE-PPRQPISWSA-N -1 1 385.294 0.909 20 0 GCADMM O=C(NCc1nn[n-]n1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000683179383 531177003 /nfs/dbraw/zinc/17/70/03/531177003.db2.gz GRQUVKVQNIAVNR-NSHDSACASA-N -1 1 379.218 0.770 20 0 GCADMM CN(C)S(=O)(=O)CCCS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000683686601 531181077 /nfs/dbraw/zinc/18/10/77/531181077.db2.gz BTFCQJHUNZSRMC-UHFFFAOYSA-N -1 1 376.435 0.666 20 0 GCADMM CC(F)(F)C[N-]S(=O)(=O)CCCS(=O)(=O)Nc1ccc(F)cn1 ZINC000565314395 531184279 /nfs/dbraw/zinc/18/42/79/531184279.db2.gz RWVMWPJZNZPUEZ-UHFFFAOYSA-N -1 1 375.394 0.927 20 0 GCADMM CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1(C)C ZINC000565842194 531191410 /nfs/dbraw/zinc/19/14/10/531191410.db2.gz CTRXQXXBSWJRMX-KGYLQXTDSA-N -1 1 394.519 0.520 20 0 GCADMM COc1cc(C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)ccc1O ZINC000443056198 531195878 /nfs/dbraw/zinc/19/58/78/531195878.db2.gz GOMXAVYTAVVEGA-UHFFFAOYSA-N -1 1 387.439 0.580 20 0 GCADMM CCN(CCC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000566174997 531195006 /nfs/dbraw/zinc/19/50/06/531195006.db2.gz YDFSPTROPCTZKH-UHFFFAOYSA-N -1 1 394.471 0.942 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)CCS1 ZINC000566485925 531198238 /nfs/dbraw/zinc/19/82/38/531198238.db2.gz PWACHGFTQITQEF-LLVKDONJSA-N -1 1 382.533 0.699 20 0 GCADMM Cc1ccc(C[C@@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000737335321 598830327 /nfs/dbraw/zinc/83/03/27/598830327.db2.gz RVZBKPKWUFFPIZ-AWEZNQCLSA-N -1 1 381.440 0.784 20 0 GCADMM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736507576 598836085 /nfs/dbraw/zinc/83/60/85/598836085.db2.gz GEENEORCCAIIPA-JTQLQIEISA-N -1 1 388.475 0.096 20 0 GCADMM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736507576 598836087 /nfs/dbraw/zinc/83/60/87/598836087.db2.gz GEENEORCCAIIPA-JTQLQIEISA-N -1 1 388.475 0.096 20 0 GCADMM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736507577 598836261 /nfs/dbraw/zinc/83/62/61/598836261.db2.gz GEENEORCCAIIPA-SNVBAGLBSA-N -1 1 388.475 0.096 20 0 GCADMM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736507577 598836263 /nfs/dbraw/zinc/83/62/63/598836263.db2.gz GEENEORCCAIIPA-SNVBAGLBSA-N -1 1 388.475 0.096 20 0 GCADMM CN(C)C(=O)C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC000736746937 598836499 /nfs/dbraw/zinc/83/64/99/598836499.db2.gz PFNWFAACBAJPJQ-UHFFFAOYSA-N -1 1 379.446 0.189 20 0 GCADMM CN(C)C(=O)C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC000736746937 598836500 /nfs/dbraw/zinc/83/65/00/598836500.db2.gz PFNWFAACBAJPJQ-UHFFFAOYSA-N -1 1 379.446 0.189 20 0 GCADMM C[C@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCS(=O)(=O)C1 ZINC000736224682 598872557 /nfs/dbraw/zinc/87/25/57/598872557.db2.gz UYLMRIQJWOTEFV-LBPRGKRZSA-N -1 1 391.862 0.376 20 0 GCADMM C[C@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC000736224682 598872558 /nfs/dbraw/zinc/87/25/58/598872558.db2.gz UYLMRIQJWOTEFV-LBPRGKRZSA-N -1 1 391.862 0.376 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)Cc1cn[nH]c1 ZINC000737486277 598895139 /nfs/dbraw/zinc/89/51/39/598895139.db2.gz CLDZKYIEINHMRB-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)Cc1cn[nH]c1 ZINC000737486277 598895140 /nfs/dbraw/zinc/89/51/40/598895140.db2.gz CLDZKYIEINHMRB-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000737489071 598913317 /nfs/dbraw/zinc/91/33/17/598913317.db2.gz VHACNQKBTCFLJO-UHFFFAOYSA-N -1 1 393.411 0.960 20 0 GCADMM O=C(CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000737882457 598935547 /nfs/dbraw/zinc/93/55/47/598935547.db2.gz JKMQOOLUDMYRFM-UHFFFAOYSA-N -1 1 393.455 0.554 20 0 GCADMM O=C(CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000737882457 598935549 /nfs/dbraw/zinc/93/55/49/598935549.db2.gz JKMQOOLUDMYRFM-UHFFFAOYSA-N -1 1 393.455 0.554 20 0 GCADMM O=C([C@@H]1CCCO1)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737792243 598935698 /nfs/dbraw/zinc/93/56/98/598935698.db2.gz OJMQZLGSFQWPLV-AWEZNQCLSA-N -1 1 380.412 0.638 20 0 GCADMM O=C([C@@H]1CCCO1)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737792243 598935700 /nfs/dbraw/zinc/93/57/00/598935700.db2.gz OJMQZLGSFQWPLV-AWEZNQCLSA-N -1 1 380.412 0.638 20 0 GCADMM CS(=O)(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737169500 598958433 /nfs/dbraw/zinc/95/84/33/598958433.db2.gz ZSWXSFZIINXYTL-NSHDSACASA-N -1 1 388.457 0.576 20 0 GCADMM CS(=O)(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737169500 598958434 /nfs/dbraw/zinc/95/84/34/598958434.db2.gz ZSWXSFZIINXYTL-NSHDSACASA-N -1 1 388.457 0.576 20 0 GCADMM Cc1c([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cccc1-c1nn[nH]n1 ZINC000822129539 607255406 /nfs/dbraw/zinc/25/54/06/607255406.db2.gz KZXRLPXXKSTQOR-UHFFFAOYSA-N -1 1 383.397 0.952 20 0 GCADMM C[C@H](O)CCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000736142172 598967911 /nfs/dbraw/zinc/96/79/11/598967911.db2.gz DKOUHQCKCQQHLT-NSHDSACASA-N -1 1 397.395 0.880 20 0 GCADMM O=C(NCCn1cccn1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738094858 598974203 /nfs/dbraw/zinc/97/42/03/598974203.db2.gz NHTIXRLBALSJGI-UHFFFAOYSA-N -1 1 398.431 0.460 20 0 GCADMM CCO[C@@H]1C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCC2 ZINC000736610428 598977563 /nfs/dbraw/zinc/97/75/63/598977563.db2.gz HJKYNHBWBRFNKN-NWDGAFQWSA-N -1 1 389.460 0.438 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000738260096 598982642 /nfs/dbraw/zinc/98/26/42/598982642.db2.gz ZIJRSSFRIVJRRV-STQMWFEESA-N -1 1 392.441 0.070 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000738260096 598982643 /nfs/dbraw/zinc/98/26/43/598982643.db2.gz ZIJRSSFRIVJRRV-STQMWFEESA-N -1 1 392.441 0.070 20 0 GCADMM COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736930709 598984637 /nfs/dbraw/zinc/98/46/37/598984637.db2.gz JFEOGMPKNUNFPG-UHFFFAOYSA-N -1 1 381.352 0.417 20 0 GCADMM COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736930709 598984639 /nfs/dbraw/zinc/98/46/39/598984639.db2.gz JFEOGMPKNUNFPG-UHFFFAOYSA-N -1 1 381.352 0.417 20 0 GCADMM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C[C@H]2O ZINC000737109937 598985132 /nfs/dbraw/zinc/98/51/32/598985132.db2.gz PWRKOBRDBRAOPY-CYBMUJFWSA-N -1 1 382.380 0.968 20 0 GCADMM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C[C@H]2O ZINC000737109937 598985133 /nfs/dbraw/zinc/98/51/33/598985133.db2.gz PWRKOBRDBRAOPY-CYBMUJFWSA-N -1 1 382.380 0.968 20 0 GCADMM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736771150 598986109 /nfs/dbraw/zinc/98/61/09/598986109.db2.gz YYLZJQKJBITLPT-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736771150 598986111 /nfs/dbraw/zinc/98/61/11/598986111.db2.gz YYLZJQKJBITLPT-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737968441 598993437 /nfs/dbraw/zinc/99/34/37/598993437.db2.gz GZDSMNYYZNNCMA-UHFFFAOYSA-N -1 1 377.408 0.789 20 0 GCADMM O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737968441 598993439 /nfs/dbraw/zinc/99/34/39/598993439.db2.gz GZDSMNYYZNNCMA-UHFFFAOYSA-N -1 1 377.408 0.789 20 0 GCADMM CCNC(=O)COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736576767 598994248 /nfs/dbraw/zinc/99/42/48/598994248.db2.gz ZZOYPZNCRGOODE-UHFFFAOYSA-N -1 1 381.396 0.707 20 0 GCADMM CCNC(=O)COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736576767 598994249 /nfs/dbraw/zinc/99/42/49/598994249.db2.gz ZZOYPZNCRGOODE-UHFFFAOYSA-N -1 1 381.396 0.707 20 0 GCADMM COc1cccc(N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)CC2=O)c1 ZINC000737140909 599000062 /nfs/dbraw/zinc/00/00/62/599000062.db2.gz SPEDCANOOJAZJT-GFCCVEGCSA-N -1 1 379.380 0.806 20 0 GCADMM COc1cccc(N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)CC2=O)c1 ZINC000737140909 599000064 /nfs/dbraw/zinc/00/00/64/599000064.db2.gz SPEDCANOOJAZJT-GFCCVEGCSA-N -1 1 379.380 0.806 20 0 GCADMM NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000737763664 599000306 /nfs/dbraw/zinc/00/03/06/599000306.db2.gz FKFGJWWONAYYIO-UHFFFAOYSA-N -1 1 375.352 0.799 20 0 GCADMM NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000737763664 599000308 /nfs/dbraw/zinc/00/03/08/599000308.db2.gz FKFGJWWONAYYIO-UHFFFAOYSA-N -1 1 375.352 0.799 20 0 GCADMM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736265472 599020911 /nfs/dbraw/zinc/02/09/11/599020911.db2.gz BGIFOYNUNFHKIW-AWEZNQCLSA-N -1 1 398.471 0.421 20 0 GCADMM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736265472 599020913 /nfs/dbraw/zinc/02/09/13/599020913.db2.gz BGIFOYNUNFHKIW-AWEZNQCLSA-N -1 1 398.471 0.421 20 0 GCADMM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737738279 599021553 /nfs/dbraw/zinc/02/15/53/599021553.db2.gz HEDPPJQJYXZFQC-MRXNPFEDSA-N -1 1 392.423 0.246 20 0 GCADMM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737738279 599021555 /nfs/dbraw/zinc/02/15/55/599021555.db2.gz HEDPPJQJYXZFQC-MRXNPFEDSA-N -1 1 392.423 0.246 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000738259214 599030316 /nfs/dbraw/zinc/03/03/16/599030316.db2.gz OCBHEEWUHMLNFA-KRWDZBQOSA-N -1 1 379.424 0.753 20 0 GCADMM Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737509006 599034048 /nfs/dbraw/zinc/03/40/48/599034048.db2.gz FETPPFDOTHEHBV-UHFFFAOYSA-N -1 1 381.444 0.570 20 0 GCADMM Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737509006 599034049 /nfs/dbraw/zinc/03/40/49/599034049.db2.gz FETPPFDOTHEHBV-UHFFFAOYSA-N -1 1 381.444 0.570 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(c2nccs2)CC1 ZINC000738356174 599034219 /nfs/dbraw/zinc/03/42/19/599034219.db2.gz ZSMSEKCTLVCZAL-UHFFFAOYSA-N -1 1 395.445 0.973 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(c2nccs2)CC1 ZINC000738356174 599034221 /nfs/dbraw/zinc/03/42/21/599034221.db2.gz ZSMSEKCTLVCZAL-UHFFFAOYSA-N -1 1 395.445 0.973 20 0 GCADMM NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737741546 599035780 /nfs/dbraw/zinc/03/57/80/599035780.db2.gz YNLLAVIHUZTTRI-UHFFFAOYSA-N -1 1 377.408 0.921 20 0 GCADMM NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737741546 599035784 /nfs/dbraw/zinc/03/57/84/599035784.db2.gz YNLLAVIHUZTTRI-UHFFFAOYSA-N -1 1 377.408 0.921 20 0 GCADMM COc1ccc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cc1 ZINC000737090281 599037386 /nfs/dbraw/zinc/03/73/86/599037386.db2.gz FAOFIYNTDSXRCR-INIZCTEOSA-N -1 1 393.407 0.801 20 0 GCADMM COc1ccc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cc1 ZINC000737090281 599037389 /nfs/dbraw/zinc/03/73/89/599037389.db2.gz FAOFIYNTDSXRCR-INIZCTEOSA-N -1 1 393.407 0.801 20 0 GCADMM CC(C)CNC(=O)N1CCC[C@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000735835942 599054150 /nfs/dbraw/zinc/05/41/50/599054150.db2.gz SSMMOICDWHPMAY-LLVKDONJSA-N -1 1 375.437 0.753 20 0 GCADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000820669168 599060055 /nfs/dbraw/zinc/06/00/55/599060055.db2.gz ZGZFIECGVOGFDU-GXFFZTMASA-N -1 1 385.403 0.991 20 0 GCADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000820669169 599060392 /nfs/dbraw/zinc/06/03/92/599060392.db2.gz ZGZFIECGVOGFDU-MFKMUULPSA-N -1 1 385.403 0.991 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccccc2)C2CCOCC2)n(C)c1=O ZINC000737598107 599061898 /nfs/dbraw/zinc/06/18/98/599061898.db2.gz YQCJJDVACBCUQG-OAHLLOKOSA-N -1 1 397.439 0.844 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)C2CCOCC2)n(C)c1=O ZINC000737598106 599061954 /nfs/dbraw/zinc/06/19/54/599061954.db2.gz YQCJJDVACBCUQG-HNNXBMFYSA-N -1 1 397.439 0.844 20 0 GCADMM COc1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c2ccccc2n1 ZINC000821717732 599062243 /nfs/dbraw/zinc/06/22/43/599062243.db2.gz WRNFASDTSANPHR-UHFFFAOYSA-N -1 1 394.395 0.433 20 0 GCADMM C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccc(F)cc1 ZINC000820274826 599069269 /nfs/dbraw/zinc/06/92/69/599069269.db2.gz JYOPLPGKTZLHGN-SECBINFHSA-N -1 1 375.364 0.283 20 0 GCADMM C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccc(F)cc1 ZINC000820274829 599069444 /nfs/dbraw/zinc/06/94/44/599069444.db2.gz JYOPLPGKTZLHGN-VIFPVBQESA-N -1 1 375.364 0.283 20 0 GCADMM CCO[C@H](C)c1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC000821346567 599080222 /nfs/dbraw/zinc/08/02/22/599080222.db2.gz MDPIRWWDULSTKR-LLVKDONJSA-N -1 1 386.420 0.459 20 0 GCADMM CCO[C@H](C)c1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC000821346567 599080226 /nfs/dbraw/zinc/08/02/26/599080226.db2.gz MDPIRWWDULSTKR-LLVKDONJSA-N -1 1 386.420 0.459 20 0 GCADMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc2c(c1)OCCO2 ZINC000820925060 599095581 /nfs/dbraw/zinc/09/55/81/599095581.db2.gz COYILTANKVFFHM-NSHDSACASA-N -1 1 399.411 0.599 20 0 GCADMM CCO[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCC2 ZINC000821360372 599100662 /nfs/dbraw/zinc/10/06/62/599100662.db2.gz RADAQIMGUKUOBD-GHMZBOCLSA-N -1 1 375.433 0.414 20 0 GCADMM CCc1nc(COc2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc2)no1 ZINC000736704320 599106146 /nfs/dbraw/zinc/10/61/46/599106146.db2.gz MBEUKCAILHJZEX-UHFFFAOYSA-N -1 1 381.356 0.858 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cnn(-c3ccccc3)c2)c1=O ZINC000821565145 599123652 /nfs/dbraw/zinc/12/36/52/599123652.db2.gz GEWJIBNSJURQLU-UHFFFAOYSA-N -1 1 392.379 0.279 20 0 GCADMM COc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737103941 599131846 /nfs/dbraw/zinc/13/18/46/599131846.db2.gz LWGAZJPCQMLGLW-UHFFFAOYSA-N -1 1 397.351 0.775 20 0 GCADMM COc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737103941 599131848 /nfs/dbraw/zinc/13/18/48/599131848.db2.gz LWGAZJPCQMLGLW-UHFFFAOYSA-N -1 1 397.351 0.775 20 0 GCADMM COCc1cccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737018640 599135066 /nfs/dbraw/zinc/13/50/66/599135066.db2.gz ZCNYWUITWJFFRS-UHFFFAOYSA-N -1 1 382.380 0.881 20 0 GCADMM COCc1cccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737018640 599135068 /nfs/dbraw/zinc/13/50/68/599135068.db2.gz ZCNYWUITWJFFRS-UHFFFAOYSA-N -1 1 382.380 0.881 20 0 GCADMM COc1ccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737091930 599137055 /nfs/dbraw/zinc/13/70/55/599137055.db2.gz HMPNZVVWXZAPPP-UHFFFAOYSA-N -1 1 398.379 0.752 20 0 GCADMM COc1ccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737091930 599137056 /nfs/dbraw/zinc/13/70/56/599137056.db2.gz HMPNZVVWXZAPPP-UHFFFAOYSA-N -1 1 398.379 0.752 20 0 GCADMM O=CN1CCc2cc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC000738314039 599137946 /nfs/dbraw/zinc/13/79/46/599137946.db2.gz PUSJUXSWJLPSMB-UHFFFAOYSA-N -1 1 378.348 0.820 20 0 GCADMM O=CN1CCc2cc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC000738314039 599137948 /nfs/dbraw/zinc/13/79/48/599137948.db2.gz PUSJUXSWJLPSMB-UHFFFAOYSA-N -1 1 378.348 0.820 20 0 GCADMM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821160254 599344913 /nfs/dbraw/zinc/34/49/13/599344913.db2.gz IDQAARZBVKFNFO-SECBINFHSA-N -1 1 391.450 0.450 20 0 GCADMM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821160254 599344917 /nfs/dbraw/zinc/34/49/17/599344917.db2.gz IDQAARZBVKFNFO-SECBINFHSA-N -1 1 391.450 0.450 20 0 GCADMM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736592154 599139079 /nfs/dbraw/zinc/13/90/79/599139079.db2.gz ZZZUIZJCCKMUKX-ZDUSSCGKSA-N -1 1 388.384 0.363 20 0 GCADMM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736592154 599139080 /nfs/dbraw/zinc/13/90/80/599139080.db2.gz ZZZUIZJCCKMUKX-ZDUSSCGKSA-N -1 1 388.384 0.363 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC[C@H]1Cc2ccccc2O1 ZINC000737908987 599139916 /nfs/dbraw/zinc/13/99/16/599139916.db2.gz OJEAOQNOZJCSCC-CYBMUJFWSA-N -1 1 380.364 0.538 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC[C@H]1Cc2ccccc2O1 ZINC000737908987 599139918 /nfs/dbraw/zinc/13/99/18/599139918.db2.gz OJEAOQNOZJCSCC-CYBMUJFWSA-N -1 1 380.364 0.538 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1sccc1C(N)=O ZINC000736158942 599140477 /nfs/dbraw/zinc/14/04/77/599140477.db2.gz SWUZQYSYDBYNRU-ZETCQYMHSA-N -1 1 387.381 0.606 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1sccc1C(N)=O ZINC000736158942 599140478 /nfs/dbraw/zinc/14/04/78/599140478.db2.gz SWUZQYSYDBYNRU-ZETCQYMHSA-N -1 1 387.381 0.606 20 0 GCADMM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821441820 599345919 /nfs/dbraw/zinc/34/59/19/599345919.db2.gz PHLIWDVAEZDVIB-VIFPVBQESA-N -1 1 391.450 0.450 20 0 GCADMM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821441820 599345921 /nfs/dbraw/zinc/34/59/21/599345921.db2.gz PHLIWDVAEZDVIB-VIFPVBQESA-N -1 1 391.450 0.450 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(CC(F)(F)F)no2)c1 ZINC000736939383 599163944 /nfs/dbraw/zinc/16/39/44/599163944.db2.gz GSUIVGVAMPMJJZ-UHFFFAOYSA-N -1 1 385.262 0.351 20 0 GCADMM COCCOC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737005035 599210377 /nfs/dbraw/zinc/21/03/77/599210377.db2.gz FDDKHGCBZACYJN-UHFFFAOYSA-N -1 1 385.421 0.822 20 0 GCADMM O=[S@](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1 ZINC000738356547 599211086 /nfs/dbraw/zinc/21/10/86/599211086.db2.gz FPFYSLHEAGSSFE-RUZDIDTESA-N -1 1 392.466 0.489 20 0 GCADMM O=[S@](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1 ZINC000738356547 599211088 /nfs/dbraw/zinc/21/10/88/599211088.db2.gz FPFYSLHEAGSSFE-RUZDIDTESA-N -1 1 392.466 0.489 20 0 GCADMM Cc1noc(CCC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)n1 ZINC000822528180 607261638 /nfs/dbraw/zinc/26/16/38/607261638.db2.gz WGEXTHZBODDZLF-UHFFFAOYSA-N -1 1 375.345 0.882 20 0 GCADMM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)N1CCN(C)CC1 ZINC000737613167 597242123 /nfs/dbraw/zinc/24/21/23/597242123.db2.gz VNJLUVSWWQRJDZ-QGZVFWFLSA-N -1 1 390.484 0.640 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccn(CCC(N)=O)n1 ZINC000737199574 599259930 /nfs/dbraw/zinc/25/99/30/599259930.db2.gz IIYJJGGHEXFUAG-UHFFFAOYSA-N -1 1 399.415 0.227 20 0 GCADMM O=S1(=O)CC[C@H](N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)C1 ZINC000823614424 607304087 /nfs/dbraw/zinc/30/40/87/607304087.db2.gz PKJZMFGABHTAGI-QMMMGPOBSA-N -1 1 389.894 0.286 20 0 GCADMM O=S1(=O)CC[C@H](N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)C1 ZINC000823614424 607304088 /nfs/dbraw/zinc/30/40/88/607304088.db2.gz PKJZMFGABHTAGI-QMMMGPOBSA-N -1 1 389.894 0.286 20 0 GCADMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000818520353 597535817 /nfs/dbraw/zinc/53/58/17/597535817.db2.gz NJNZZSUAWOKSHZ-ZYHUDNBSSA-N -1 1 378.381 0.993 20 0 GCADMM CN(C)c1cccc([C@@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000736780476 599266897 /nfs/dbraw/zinc/26/68/97/599266897.db2.gz QUUPZYGRDQMEPI-AWEZNQCLSA-N -1 1 396.455 0.672 20 0 GCADMM COCCNS(=O)(=O)c1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737007790 599268472 /nfs/dbraw/zinc/26/84/72/599268472.db2.gz XROSZCAFRHLTED-UHFFFAOYSA-N -1 1 390.429 0.194 20 0 GCADMM COCCNS(=O)(=O)c1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737007790 599268475 /nfs/dbraw/zinc/26/84/75/599268475.db2.gz XROSZCAFRHLTED-UHFFFAOYSA-N -1 1 390.429 0.194 20 0 GCADMM CC(=O)NCCN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@@H](C)C(=O)[O-] ZINC000819758340 597686176 /nfs/dbraw/zinc/68/61/76/597686176.db2.gz YEGKZVVIULPEPV-HNNXBMFYSA-N -1 1 390.484 0.485 20 0 GCADMM CC(=O)NCCN(C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)[C@@H](C)C(=O)[O-] ZINC000819758161 597701112 /nfs/dbraw/zinc/70/11/12/597701112.db2.gz MGSPFIVZOGQVOR-QMMMGPOBSA-N -1 1 378.410 0.676 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000820539331 597705078 /nfs/dbraw/zinc/70/50/78/597705078.db2.gz LVYLGVUOAOGKHV-OAHLLOKOSA-N -1 1 389.518 0.446 20 0 GCADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC000821663670 607327955 /nfs/dbraw/zinc/32/79/55/607327955.db2.gz JBIKBIMMOPPTJX-UHFFFAOYSA-N -1 1 381.349 0.176 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2Cc3ccccc3C(F)(F)C2)n(C)c1=O ZINC000822600633 607331331 /nfs/dbraw/zinc/33/13/31/607331331.db2.gz OPTHBBJFPDUUHR-UHFFFAOYSA-N -1 1 375.339 0.376 20 0 GCADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820220419 607331784 /nfs/dbraw/zinc/33/17/84/607331784.db2.gz UNRJTBZYKCPHIW-MFKMUULPSA-N -1 1 383.412 0.093 20 0 GCADMM CCc1nc([C@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3F)CCO2)n[nH]1 ZINC000422627126 598171560 /nfs/dbraw/zinc/17/15/60/598171560.db2.gz MWUJPAZVKNZVSE-GFCCVEGCSA-N -1 1 391.359 0.743 20 0 GCADMM CCc1nc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CCO2)n[nH]1 ZINC000583138187 598171614 /nfs/dbraw/zinc/17/16/14/598171614.db2.gz DJRKXXYHCMQXAC-ZDUSSCGKSA-N -1 1 387.396 0.912 20 0 GCADMM CC[C@H](C)[C@H](NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)C(=O)[O-] ZINC000820459544 598187225 /nfs/dbraw/zinc/18/72/25/598187225.db2.gz AYHITNVKMFETQI-USBNGQNGSA-N -1 1 383.470 0.701 20 0 GCADMM CCN(Cc1c(F)cccc1F)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736554911 598246459 /nfs/dbraw/zinc/24/64/59/598246459.db2.gz FISRMTWGUVCMJM-UHFFFAOYSA-N -1 1 377.355 0.569 20 0 GCADMM CN(C[C@H]1OCCc2ccccc21)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736793059 598246887 /nfs/dbraw/zinc/24/68/87/598246887.db2.gz VZXNFZLGGVTEBL-CYBMUJFWSA-N -1 1 383.412 0.014 20 0 GCADMM Cc1cccc(C)c1NC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737391242 598261033 /nfs/dbraw/zinc/26/10/33/598261033.db2.gz WRTLQJGCVKAJPL-UHFFFAOYSA-N -1 1 387.425 0.796 20 0 GCADMM Cc1cccc(C)c1NC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737391242 598261035 /nfs/dbraw/zinc/26/10/35/598261035.db2.gz WRTLQJGCVKAJPL-UHFFFAOYSA-N -1 1 387.425 0.796 20 0 GCADMM COC(=O)c1ccc(OC)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736947751 598261264 /nfs/dbraw/zinc/26/12/64/598261264.db2.gz DYSJHYZVICOLOD-UHFFFAOYSA-N -1 1 391.365 0.825 20 0 GCADMM COC(=O)c1ccc(OC)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736947751 598261267 /nfs/dbraw/zinc/26/12/67/598261267.db2.gz DYSJHYZVICOLOD-UHFFFAOYSA-N -1 1 391.365 0.825 20 0 GCADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccccc21 ZINC000736025636 598263579 /nfs/dbraw/zinc/26/35/79/598263579.db2.gz ISEZMAOWUAJLEK-LBPRGKRZSA-N -1 1 385.453 0.991 20 0 GCADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccccc21 ZINC000736025636 598263581 /nfs/dbraw/zinc/26/35/81/598263581.db2.gz ISEZMAOWUAJLEK-LBPRGKRZSA-N -1 1 385.453 0.991 20 0 GCADMM CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736877382 598264324 /nfs/dbraw/zinc/26/43/24/598264324.db2.gz JVQXTQZUSCQOHL-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736877382 598264326 /nfs/dbraw/zinc/26/43/26/598264326.db2.gz JVQXTQZUSCQOHL-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM O=S(=O)(NCc1ccccc1Cn1cncn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344722 598265124 /nfs/dbraw/zinc/26/51/24/598265124.db2.gz GVFFNOPIPRAEPQ-UHFFFAOYSA-N -1 1 397.424 0.380 20 0 GCADMM O=S(=O)(NCc1ccccc1Cn1cncn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344722 598265126 /nfs/dbraw/zinc/26/51/26/598265126.db2.gz GVFFNOPIPRAEPQ-UHFFFAOYSA-N -1 1 397.424 0.380 20 0 GCADMM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736911804 598265546 /nfs/dbraw/zinc/26/55/46/598265546.db2.gz WLIJVKFLJXVMQV-SWHYSGLUSA-N -1 1 392.441 0.757 20 0 GCADMM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736911804 598265548 /nfs/dbraw/zinc/26/55/48/598265548.db2.gz WLIJVKFLJXVMQV-SWHYSGLUSA-N -1 1 392.441 0.757 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000738075820 598266284 /nfs/dbraw/zinc/26/62/84/598266284.db2.gz RNKJDPWOSOEVLH-UHFFFAOYSA-N -1 1 379.427 0.032 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000738075820 598266286 /nfs/dbraw/zinc/26/62/86/598266286.db2.gz RNKJDPWOSOEVLH-UHFFFAOYSA-N -1 1 379.427 0.032 20 0 GCADMM O=C(NC1CC1)c1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000738019302 598267507 /nfs/dbraw/zinc/26/75/07/598267507.db2.gz JIZSZHNSJHXZIH-UHFFFAOYSA-N -1 1 386.393 0.922 20 0 GCADMM O=C(NC1CC1)c1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000738019302 598267509 /nfs/dbraw/zinc/26/75/09/598267509.db2.gz JIZSZHNSJHXZIH-UHFFFAOYSA-N -1 1 386.393 0.922 20 0 GCADMM O=C1C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1 ZINC000738301424 598267535 /nfs/dbraw/zinc/26/75/35/598267535.db2.gz OQPUWJNCKIHKKR-HNNXBMFYSA-N -1 1 399.436 0.514 20 0 GCADMM O=C1C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1 ZINC000738301424 598267537 /nfs/dbraw/zinc/26/75/37/598267537.db2.gz OQPUWJNCKIHKKR-HNNXBMFYSA-N -1 1 399.436 0.514 20 0 GCADMM COc1ccccc1OCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737152471 598267650 /nfs/dbraw/zinc/26/76/50/598267650.db2.gz PEAHORXIZSUEFT-UHFFFAOYSA-N -1 1 390.425 0.970 20 0 GCADMM COc1ccccc1OCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737152471 598267652 /nfs/dbraw/zinc/26/76/52/598267652.db2.gz PEAHORXIZSUEFT-UHFFFAOYSA-N -1 1 390.425 0.970 20 0 GCADMM O=S(=O)(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341777 598269530 /nfs/dbraw/zinc/26/95/30/598269530.db2.gz FMLGNPBDHWGHCM-UHFFFAOYSA-N -1 1 391.379 0.567 20 0 GCADMM O=S(=O)(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341777 598269532 /nfs/dbraw/zinc/26/95/32/598269532.db2.gz FMLGNPBDHWGHCM-UHFFFAOYSA-N -1 1 391.379 0.567 20 0 GCADMM CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735835970 598270056 /nfs/dbraw/zinc/27/00/56/598270056.db2.gz USAUFUZLKZPUER-GFCCVEGCSA-N -1 1 397.486 0.098 20 0 GCADMM CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735835970 598270057 /nfs/dbraw/zinc/27/00/57/598270057.db2.gz USAUFUZLKZPUER-GFCCVEGCSA-N -1 1 397.486 0.098 20 0 GCADMM C[C@H]1Cc2ccccc2N1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736300192 598270065 /nfs/dbraw/zinc/27/00/65/598270065.db2.gz VGTAAKRKEKRDDI-LBPRGKRZSA-N -1 1 385.453 0.991 20 0 GCADMM C[C@H]1Cc2ccccc2N1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736300192 598270066 /nfs/dbraw/zinc/27/00/66/598270066.db2.gz VGTAAKRKEKRDDI-LBPRGKRZSA-N -1 1 385.453 0.991 20 0 GCADMM CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735835971 598270165 /nfs/dbraw/zinc/27/01/65/598270165.db2.gz USAUFUZLKZPUER-LBPRGKRZSA-N -1 1 397.486 0.098 20 0 GCADMM CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735835971 598270167 /nfs/dbraw/zinc/27/01/67/598270167.db2.gz USAUFUZLKZPUER-LBPRGKRZSA-N -1 1 397.486 0.098 20 0 GCADMM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736479636 598270261 /nfs/dbraw/zinc/27/02/61/598270261.db2.gz DMNHCWMZIAIUSE-LLVKDONJSA-N -1 1 379.446 0.189 20 0 GCADMM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736479636 598270262 /nfs/dbraw/zinc/27/02/62/598270262.db2.gz DMNHCWMZIAIUSE-LLVKDONJSA-N -1 1 379.446 0.189 20 0 GCADMM CCOC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736599839 598270478 /nfs/dbraw/zinc/27/04/78/598270478.db2.gz DCAWHNQSHBCIDI-UHFFFAOYSA-N -1 1 381.418 0.115 20 0 GCADMM CCOC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736599839 598270479 /nfs/dbraw/zinc/27/04/79/598270479.db2.gz DCAWHNQSHBCIDI-UHFFFAOYSA-N -1 1 381.418 0.115 20 0 GCADMM O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344512 598271298 /nfs/dbraw/zinc/27/12/98/598271298.db2.gz WXTKEYYTLRHFPV-MRVPVSSYSA-N -1 1 377.352 0.177 20 0 GCADMM O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344512 598271300 /nfs/dbraw/zinc/27/13/00/598271300.db2.gz WXTKEYYTLRHFPV-MRVPVSSYSA-N -1 1 377.352 0.177 20 0 GCADMM CCCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736472865 598271315 /nfs/dbraw/zinc/27/13/15/598271315.db2.gz VBJTVBNMPMWMBR-LBPRGKRZSA-N -1 1 397.486 0.194 20 0 GCADMM CCCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736472865 598271316 /nfs/dbraw/zinc/27/13/16/598271316.db2.gz VBJTVBNMPMWMBR-LBPRGKRZSA-N -1 1 397.486 0.194 20 0 GCADMM CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735622895 598299716 /nfs/dbraw/zinc/29/97/16/598299716.db2.gz IDFGDVFSURUERK-NSHDSACASA-N -1 1 397.486 0.240 20 0 GCADMM CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735622895 598299718 /nfs/dbraw/zinc/29/97/18/598299718.db2.gz IDFGDVFSURUERK-NSHDSACASA-N -1 1 397.486 0.240 20 0 GCADMM CCCC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736415297 598300176 /nfs/dbraw/zinc/30/01/76/598300176.db2.gz GXIYVVOSQUSKFN-GFCCVEGCSA-N -1 1 393.473 0.579 20 0 GCADMM CCCC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736415297 598300178 /nfs/dbraw/zinc/30/01/78/598300178.db2.gz GXIYVVOSQUSKFN-GFCCVEGCSA-N -1 1 393.473 0.579 20 0 GCADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)Oc3ccc(-c4nn[nH]n4)cc3)nc2n1 ZINC000737225873 598313011 /nfs/dbraw/zinc/31/30/11/598313011.db2.gz JRRBSKBWHZYIPK-SECBINFHSA-N -1 1 381.356 0.312 20 0 GCADMM O=S(=O)(c1ccc(F)cc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738355897 598336564 /nfs/dbraw/zinc/33/65/64/598336564.db2.gz UOIFMJXFEFNLFP-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1ccc(F)cc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738355897 598336566 /nfs/dbraw/zinc/33/65/66/598336566.db2.gz UOIFMJXFEFNLFP-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC000736222057 598340622 /nfs/dbraw/zinc/34/06/22/598340622.db2.gz AFRBAVCBSJTKJV-NSHDSACASA-N -1 1 393.411 0.857 20 0 GCADMM C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC000736222057 598340624 /nfs/dbraw/zinc/34/06/24/598340624.db2.gz AFRBAVCBSJTKJV-NSHDSACASA-N -1 1 393.411 0.857 20 0 GCADMM COc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737087858 598348217 /nfs/dbraw/zinc/34/82/17/598348217.db2.gz OXRUXWLQBVTZQK-UHFFFAOYSA-N -1 1 394.439 0.947 20 0 GCADMM COc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737087858 598348219 /nfs/dbraw/zinc/34/82/19/598348219.db2.gz OXRUXWLQBVTZQK-UHFFFAOYSA-N -1 1 394.439 0.947 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCCC[C@H]1C ZINC000736130356 598355678 /nfs/dbraw/zinc/35/56/78/598355678.db2.gz LXNRSXUAJYWAQC-MNOVXSKESA-N -1 1 379.446 0.330 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCCC[C@H]1C ZINC000736130356 598355680 /nfs/dbraw/zinc/35/56/80/598355680.db2.gz LXNRSXUAJYWAQC-MNOVXSKESA-N -1 1 379.446 0.330 20 0 GCADMM Cc1nc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)nc2ccccc12 ZINC000737476378 598356415 /nfs/dbraw/zinc/35/64/15/598356415.db2.gz CRCYIUZACAARPE-UHFFFAOYSA-N -1 1 382.409 0.992 20 0 GCADMM Cc1nc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)nc2ccccc12 ZINC000737476378 598356417 /nfs/dbraw/zinc/35/64/17/598356417.db2.gz CRCYIUZACAARPE-UHFFFAOYSA-N -1 1 382.409 0.992 20 0 GCADMM COc1ccc(CN2C[C@@H](C(=O)n3ncc(-c4nn[n-]n4)c3N)CC2=O)cc1 ZINC000737090038 598358439 /nfs/dbraw/zinc/35/84/39/598358439.db2.gz ACPRBKOTDDXNAY-NSHDSACASA-N -1 1 382.384 0.343 20 0 GCADMM Cc1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1OCC(F)F ZINC000737361583 598368359 /nfs/dbraw/zinc/36/83/59/598368359.db2.gz KLLHCTJMYHJMBL-UHFFFAOYSA-N -1 1 393.354 0.960 20 0 GCADMM CCC(C)(C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000736314048 598370781 /nfs/dbraw/zinc/37/07/81/598370781.db2.gz QOCPDLQSYBKXRK-UHFFFAOYSA-N -1 1 391.432 0.791 20 0 GCADMM CCc1nn(CCn2nc3ccccn3c2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707041 598378580 /nfs/dbraw/zinc/37/85/80/598378580.db2.gz OYPIWSGHRMVCNS-UHFFFAOYSA-N -1 1 381.400 0.058 20 0 GCADMM CCCOC(=O)CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736488930 598403187 /nfs/dbraw/zinc/40/31/87/598403187.db2.gz UYVLRLWSSSMSDY-UHFFFAOYSA-N -1 1 376.417 0.976 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(CC(F)F)C3CC3)CC2)o1 ZINC000737466925 598406140 /nfs/dbraw/zinc/40/61/40/598406140.db2.gz HLPPORFTXCMDTE-UHFFFAOYSA-N -1 1 396.402 0.541 20 0 GCADMM COCCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736979697 598408119 /nfs/dbraw/zinc/40/81/19/598408119.db2.gz UJHXMVVSGJBFBX-UHFFFAOYSA-N -1 1 385.384 0.961 20 0 GCADMM COCCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736979697 598408121 /nfs/dbraw/zinc/40/81/21/598408121.db2.gz UJHXMVVSGJBFBX-UHFFFAOYSA-N -1 1 385.384 0.961 20 0 GCADMM CC(C)(CO)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735671130 598409207 /nfs/dbraw/zinc/40/92/07/598409207.db2.gz NWQBDUNITXXTQK-UHFFFAOYSA-N -1 1 385.384 0.553 20 0 GCADMM CC(C)(CO)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735671130 598409208 /nfs/dbraw/zinc/40/92/08/598409208.db2.gz NWQBDUNITXXTQK-UHFFFAOYSA-N -1 1 385.384 0.553 20 0 GCADMM COc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1[N-]S(C)(=O)=O ZINC000737105188 598457547 /nfs/dbraw/zinc/45/75/47/598457547.db2.gz WJUPYLOBBDNAFT-UHFFFAOYSA-N -1 1 389.397 0.894 20 0 GCADMM CC(=O)N[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1c(F)cccc1F ZINC000735473958 598470909 /nfs/dbraw/zinc/47/09/09/598470909.db2.gz DGPRYPFJTVNFEA-LLVKDONJSA-N -1 1 376.327 0.831 20 0 GCADMM Cc1nn(Cc2nc(N)nc(Nc3ccccc3)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737524380 598473076 /nfs/dbraw/zinc/47/30/76/598473076.db2.gz YMCKOWHRSDGEQC-UHFFFAOYSA-N -1 1 391.399 0.599 20 0 GCADMM Cc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C(N)=O ZINC000737360024 598477102 /nfs/dbraw/zinc/47/71/02/598477102.db2.gz JSXHCNNRHAUZAH-UHFFFAOYSA-N -1 1 384.404 0.334 20 0 GCADMM Cc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C(N)=O ZINC000737360024 598477103 /nfs/dbraw/zinc/47/71/03/598477103.db2.gz JSXHCNNRHAUZAH-UHFFFAOYSA-N -1 1 384.404 0.334 20 0 GCADMM CNC(=O)CCN(C)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736869916 598505143 /nfs/dbraw/zinc/50/51/43/598505143.db2.gz CZBLNPZZCDKWBO-UHFFFAOYSA-N -1 1 385.432 0.053 20 0 GCADMM CNC(=O)CCN(C)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736869916 598505144 /nfs/dbraw/zinc/50/51/44/598505144.db2.gz CZBLNPZZCDKWBO-UHFFFAOYSA-N -1 1 385.432 0.053 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000737201302 598510008 /nfs/dbraw/zinc/51/00/08/598510008.db2.gz QYNBIZHEDJHRFD-GFCCVEGCSA-N -1 1 387.444 0.642 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N(C)CCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000737189180 598550045 /nfs/dbraw/zinc/55/00/45/598550045.db2.gz KYMBAKWQRYQJHB-UHFFFAOYSA-N -1 1 396.498 0.978 20 0 GCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)nnn1-c1ccc2ncccc2c1 ZINC000737209984 598561967 /nfs/dbraw/zinc/56/19/67/598561967.db2.gz XBHYUGGUBZZWGS-UHFFFAOYSA-N -1 1 387.367 0.771 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822968876 607358999 /nfs/dbraw/zinc/35/89/99/607358999.db2.gz DDTKHJDRQHRAAB-UHFFFAOYSA-N -1 1 388.409 0.674 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822968876 607359001 /nfs/dbraw/zinc/35/90/01/607359001.db2.gz DDTKHJDRQHRAAB-UHFFFAOYSA-N -1 1 388.409 0.674 20 0 GCADMM Cc1nc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)no1 ZINC000737476429 598583335 /nfs/dbraw/zinc/58/33/35/598583335.db2.gz DLAZSTOUZCKEMA-UHFFFAOYSA-N -1 1 383.372 0.894 20 0 GCADMM Cc1nc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)no1 ZINC000737476429 598583337 /nfs/dbraw/zinc/58/33/37/598583337.db2.gz DLAZSTOUZCKEMA-UHFFFAOYSA-N -1 1 383.372 0.894 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncc(C(N)=O)cc1Cl ZINC000736797864 598592282 /nfs/dbraw/zinc/59/22/82/598592282.db2.gz NKOWCAYGHNVJJZ-UHFFFAOYSA-N -1 1 376.812 0.388 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(Cn2ccccc2=O)no1 ZINC000737200298 598608614 /nfs/dbraw/zinc/60/86/14/598608614.db2.gz SBJQMXXUWHOAAC-UHFFFAOYSA-N -1 1 394.395 0.962 20 0 GCADMM CCc1nn(CC(=O)c2ccc(NC(N)=O)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705154 598613703 /nfs/dbraw/zinc/61/37/03/598613703.db2.gz CVCBCCCAFXSSIL-UHFFFAOYSA-N -1 1 396.411 0.922 20 0 GCADMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737820020 598616539 /nfs/dbraw/zinc/61/65/39/598616539.db2.gz GINDOBXBIKBKGM-GFCCVEGCSA-N -1 1 387.425 0.526 20 0 GCADMM CCOc1ccccc1[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)NC(C)=O ZINC000736654271 598618794 /nfs/dbraw/zinc/61/87/94/598618794.db2.gz IOFBDXVUBPWMSZ-ZDUSSCGKSA-N -1 1 384.400 0.952 20 0 GCADMM O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737932128 598623342 /nfs/dbraw/zinc/62/33/42/598623342.db2.gz JPNOOSLZKMOKBC-LBPRGKRZSA-N -1 1 387.429 0.213 20 0 GCADMM CC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](O)c1c(F)cccc1F ZINC000820914898 607361161 /nfs/dbraw/zinc/36/11/61/607361161.db2.gz RPUCONFGFGTZPC-GXFFZTMASA-N -1 1 378.343 0.365 20 0 GCADMM CN(c1ccccc1)C1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736842874 598628353 /nfs/dbraw/zinc/62/83/53/598628353.db2.gz GPIMEJKVGQTTQY-UHFFFAOYSA-N -1 1 396.455 0.369 20 0 GCADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](O)c1c(F)cccc1F ZINC000820914899 607361489 /nfs/dbraw/zinc/36/14/89/607361489.db2.gz RPUCONFGFGTZPC-MFKMUULPSA-N -1 1 378.343 0.365 20 0 GCADMM CN(C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC000736732142 598672970 /nfs/dbraw/zinc/67/29/70/598672970.db2.gz AYECIBWZQCOSGQ-UHFFFAOYSA-N -1 1 385.476 0.570 20 0 GCADMM CN(C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC000736732142 598672971 /nfs/dbraw/zinc/67/29/71/598672971.db2.gz AYECIBWZQCOSGQ-UHFFFAOYSA-N -1 1 385.476 0.570 20 0 GCADMM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736512994 598686186 /nfs/dbraw/zinc/68/61/86/598686186.db2.gz VITYNHGLPNJVJG-VIFPVBQESA-N -1 1 389.434 0.204 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(CC(F)(F)F)CC1 ZINC000738352942 598688943 /nfs/dbraw/zinc/68/89/43/598688943.db2.gz CQNBPEDZXFLXIX-UHFFFAOYSA-N -1 1 394.354 0.874 20 0 GCADMM CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736883735 598690404 /nfs/dbraw/zinc/69/04/04/598690404.db2.gz YHMZTJJHXIDIPS-UHFFFAOYSA-N -1 1 390.400 0.844 20 0 GCADMM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738018512 598690650 /nfs/dbraw/zinc/69/06/50/598690650.db2.gz BREIEZFNIXDTQL-ZDUSSCGKSA-N -1 1 380.405 0.438 20 0 GCADMM COC(=O)CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736912303 598691731 /nfs/dbraw/zinc/69/17/31/598691731.db2.gz PSXWZUTUILQJOV-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000738321034 598691949 /nfs/dbraw/zinc/69/19/49/598691949.db2.gz VHXSLXIORJFFSA-SNVBAGLBSA-N -1 1 395.420 0.184 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(c2cccnn2)CC1 ZINC000738355803 598694265 /nfs/dbraw/zinc/69/42/65/598694265.db2.gz TVZNSFPRNXHBKR-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1C1OCCO1 ZINC000738356231 598694593 /nfs/dbraw/zinc/69/45/93/598694593.db2.gz ZNSHFHWDYIVEOK-CYBMUJFWSA-N -1 1 383.405 0.922 20 0 GCADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736018968 598710695 /nfs/dbraw/zinc/71/06/95/598710695.db2.gz CBFRIGDQSXODPS-SNVBAGLBSA-N -1 1 397.461 0.795 20 0 GCADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736018968 598710696 /nfs/dbraw/zinc/71/06/96/598710696.db2.gz CBFRIGDQSXODPS-SNVBAGLBSA-N -1 1 397.461 0.795 20 0 GCADMM O=C1CCCN1C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738302728 598711855 /nfs/dbraw/zinc/71/18/55/598711855.db2.gz MJSPBJOLRPFTMG-LBPRGKRZSA-N -1 1 391.457 0.427 20 0 GCADMM O=C1CCCN1C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738302728 598711856 /nfs/dbraw/zinc/71/18/56/598711856.db2.gz MJSPBJOLRPFTMG-LBPRGKRZSA-N -1 1 391.457 0.427 20 0 GCADMM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000735952826 598712438 /nfs/dbraw/zinc/71/24/38/598712438.db2.gz MTSXHYUOZBHZNC-UHFFFAOYSA-N -1 1 375.418 0.181 20 0 GCADMM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000735952826 598712439 /nfs/dbraw/zinc/71/24/39/598712439.db2.gz MTSXHYUOZBHZNC-UHFFFAOYSA-N -1 1 375.418 0.181 20 0 GCADMM CNC(=O)c1ccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cn1 ZINC000736878781 598715062 /nfs/dbraw/zinc/71/50/62/598715062.db2.gz ZYOLOAKXWKXSGA-UHFFFAOYSA-N -1 1 399.367 0.627 20 0 GCADMM CC(=O)N[C@H]1CCCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)C1 ZINC000735474094 598718853 /nfs/dbraw/zinc/71/88/53/598718853.db2.gz GVZMIFSLUBXRDM-ZDUSSCGKSA-N -1 1 395.423 0.309 20 0 GCADMM NC(=O)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1F ZINC000737761532 598731312 /nfs/dbraw/zinc/73/13/12/598731312.db2.gz ZWGZNOGOXSNADO-UHFFFAOYSA-N -1 1 388.367 0.164 20 0 GCADMM NC(=O)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1F ZINC000737761532 598731313 /nfs/dbraw/zinc/73/13/13/598731313.db2.gz ZWGZNOGOXSNADO-UHFFFAOYSA-N -1 1 388.367 0.164 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)Cc1cc[nH]n1 ZINC000737486152 598753751 /nfs/dbraw/zinc/75/37/51/598753751.db2.gz BHCXWOXUGXUCLO-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)Cc1cc[nH]n1 ZINC000737486152 598753752 /nfs/dbraw/zinc/75/37/52/598753752.db2.gz BHCXWOXUGXUCLO-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)CC(F)(F)F)CC2)o1 ZINC000737466791 598776016 /nfs/dbraw/zinc/77/60/16/598776016.db2.gz CXESPQAHVCDPLM-UHFFFAOYSA-N -1 1 388.354 0.306 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000737547186 598794357 /nfs/dbraw/zinc/79/43/57/598794357.db2.gz IFBKFTMRURQHFS-LLVKDONJSA-N -1 1 379.384 0.895 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000737547186 598794359 /nfs/dbraw/zinc/79/43/59/598794359.db2.gz IFBKFTMRURQHFS-LLVKDONJSA-N -1 1 379.384 0.895 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccc(F)c(F)c2)n(C)c1=O ZINC000737597120 598795688 /nfs/dbraw/zinc/79/56/88/598795688.db2.gz QDFHJVDMUUCHGH-GFCCVEGCSA-N -1 1 389.366 0.884 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1N=NC(=S)N1C ZINC000737201723 598807738 /nfs/dbraw/zinc/80/77/38/598807738.db2.gz UQHIJPSNWXQCBI-UHFFFAOYSA-N -1 1 389.445 0.250 20 0 GCADMM Cc1oc(NC(=O)CN2CCC(CS(N)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737550764 598809831 /nfs/dbraw/zinc/80/98/31/598809831.db2.gz CEZBYSLNNSYSTR-UHFFFAOYSA-N -1 1 397.461 0.016 20 0 GCADMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nc2ccccc2[nH]1 ZINC000736370365 598816523 /nfs/dbraw/zinc/81/65/23/598816523.db2.gz QAHUKSOOIBEUAI-SECBINFHSA-N -1 1 381.400 0.704 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2CCS(=O)(=O)CC2)c1-c1nn[n-]n1 ZINC000737189156 598821676 /nfs/dbraw/zinc/82/16/76/598821676.db2.gz KDZKRVBVHGGIPG-UHFFFAOYSA-N -1 1 394.482 0.732 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@H](N2CCOCC2)C1 ZINC000738355923 599303537 /nfs/dbraw/zinc/30/35/37/599303537.db2.gz VXOYPOSZVXZULV-NSHDSACASA-N -1 1 398.876 0.615 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@H](N2CCOCC2)C1 ZINC000738355923 599303539 /nfs/dbraw/zinc/30/35/39/599303539.db2.gz VXOYPOSZVXZULV-NSHDSACASA-N -1 1 398.876 0.615 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCC(=O)Nc2cc(F)cc(F)c2)c1=O ZINC000822604878 599304745 /nfs/dbraw/zinc/30/47/45/599304745.db2.gz OATLMCWOEFRDLA-UHFFFAOYSA-N -1 1 377.311 0.034 20 0 GCADMM COc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc(OC)c1OC(F)F ZINC000821708557 599318814 /nfs/dbraw/zinc/31/88/14/599318814.db2.gz SNSLNDWNGMVWIS-UHFFFAOYSA-N -1 1 381.299 0.953 20 0 GCADMM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000819891856 599334812 /nfs/dbraw/zinc/33/48/12/599334812.db2.gz IRULRDWRBGOHAG-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000819891856 599334814 /nfs/dbraw/zinc/33/48/14/599334814.db2.gz IRULRDWRBGOHAG-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(CC(F)(F)F)CC1 ZINC000823607700 599336584 /nfs/dbraw/zinc/33/65/84/599336584.db2.gz WEKXOQFYVQETOC-UHFFFAOYSA-N -1 1 394.354 0.874 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(CC(F)(F)F)CC1 ZINC000823607700 599336587 /nfs/dbraw/zinc/33/65/87/599336587.db2.gz WEKXOQFYVQETOC-UHFFFAOYSA-N -1 1 394.354 0.874 20 0 GCADMM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821578180 599337463 /nfs/dbraw/zinc/33/74/63/599337463.db2.gz RFCCBBJMZAFRBG-UHFFFAOYSA-N -1 1 399.864 0.508 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000736939460 599339629 /nfs/dbraw/zinc/33/96/29/599339629.db2.gz HODNOZBHCXYVES-ZDUSSCGKSA-N -1 1 396.363 0.840 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nc(C(N)=O)cs1 ZINC000737200917 599342369 /nfs/dbraw/zinc/34/23/69/599342369.db2.gz OIIBYVMSPTZLNG-UHFFFAOYSA-N -1 1 388.413 0.711 20 0 GCADMM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821631366 599342955 /nfs/dbraw/zinc/34/29/55/599342955.db2.gz GYXZJGNBGJDPRD-VIFPVBQESA-N -1 1 384.849 0.667 20 0 GCADMM Cc1nonc1CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737548682 599344315 /nfs/dbraw/zinc/34/43/15/599344315.db2.gz UVJYTPJETHXRGY-UHFFFAOYSA-N -1 1 382.388 0.467 20 0 GCADMM Cc1nonc1CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737548682 599344317 /nfs/dbraw/zinc/34/43/17/599344317.db2.gz UVJYTPJETHXRGY-UHFFFAOYSA-N -1 1 382.388 0.467 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCN1CCOC ZINC000820995873 599344672 /nfs/dbraw/zinc/34/46/72/599344672.db2.gz ZHBHUULFPKKXED-GFCCVEGCSA-N -1 1 398.464 0.737 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCN1CCOC ZINC000820995873 599344674 /nfs/dbraw/zinc/34/46/74/599344674.db2.gz ZHBHUULFPKKXED-GFCCVEGCSA-N -1 1 398.464 0.737 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]1Cn1cncn1 ZINC000823606861 599345799 /nfs/dbraw/zinc/34/57/99/599345799.db2.gz OEENDOCLNZMPSZ-SNVBAGLBSA-N -1 1 378.393 0.451 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cncn1 ZINC000823606861 599345800 /nfs/dbraw/zinc/34/58/00/599345800.db2.gz OEENDOCLNZMPSZ-SNVBAGLBSA-N -1 1 378.393 0.451 20 0 GCADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)N1c1ccccc1 ZINC000820667417 599362258 /nfs/dbraw/zinc/36/22/58/599362258.db2.gz MEEARCXVUJFSNX-ABAIWWIYSA-N -1 1 399.436 0.734 20 0 GCADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)N1c1ccccc1 ZINC000820667417 599362263 /nfs/dbraw/zinc/36/22/63/599362263.db2.gz MEEARCXVUJFSNX-ABAIWWIYSA-N -1 1 399.436 0.734 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000823600639 599373258 /nfs/dbraw/zinc/37/32/58/599373258.db2.gz JKGWSBLTLFFRSE-ZDUSSCGKSA-N -1 1 393.473 0.137 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000823600639 599373261 /nfs/dbraw/zinc/37/32/61/599373261.db2.gz JKGWSBLTLFFRSE-ZDUSSCGKSA-N -1 1 393.473 0.137 20 0 GCADMM CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)no1 ZINC000735657918 599385448 /nfs/dbraw/zinc/38/54/48/599385448.db2.gz XZQLIOUDAVEKGC-UHFFFAOYSA-N -1 1 397.443 0.900 20 0 GCADMM CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)no1 ZINC000735657918 599385450 /nfs/dbraw/zinc/38/54/50/599385450.db2.gz XZQLIOUDAVEKGC-UHFFFAOYSA-N -1 1 397.443 0.900 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000736226256 599399020 /nfs/dbraw/zinc/39/90/20/599399020.db2.gz WBVCALIQDMVEDI-HUUCEWRRSA-N -1 1 384.488 0.888 20 0 GCADMM O=C(c1ccc2c(c1)OCO2)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738269090 599403230 /nfs/dbraw/zinc/40/32/30/599403230.db2.gz LOQIIBOSYGWLTF-UHFFFAOYSA-N -1 1 379.380 0.953 20 0 GCADMM O=C(c1ccc2c(c1)OCO2)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738269090 599403232 /nfs/dbraw/zinc/40/32/32/599403232.db2.gz LOQIIBOSYGWLTF-UHFFFAOYSA-N -1 1 379.380 0.953 20 0 GCADMM O=S(=O)(NCc1ccnc(-n2ccnc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346243 599450283 /nfs/dbraw/zinc/45/02/83/599450283.db2.gz WHOUKTMMDRIWCH-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(NCc1ccnc(-n2ccnc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346243 599450285 /nfs/dbraw/zinc/45/02/85/599450285.db2.gz WHOUKTMMDRIWCH-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736224805 599451164 /nfs/dbraw/zinc/45/11/64/599451164.db2.gz NPRAKZLDCHKWBF-IUCAKERBSA-N -1 1 389.434 0.202 20 0 GCADMM Cn1ccnc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)c1=O ZINC000822693956 599472524 /nfs/dbraw/zinc/47/25/24/599472524.db2.gz PJSWPTAFEOYPJC-UHFFFAOYSA-N -1 1 395.383 0.535 20 0 GCADMM COCCN1C(=S)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)N(C)C)=C1C ZINC000821690460 599493110 /nfs/dbraw/zinc/49/31/10/599493110.db2.gz MTLNOBVFBLWWRP-CYBMUJFWSA-N -1 1 391.457 0.700 20 0 GCADMM COCCN1C(=S)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)N(C)C)=C1C ZINC000821690460 599493112 /nfs/dbraw/zinc/49/31/12/599493112.db2.gz MTLNOBVFBLWWRP-CYBMUJFWSA-N -1 1 391.457 0.700 20 0 GCADMM COc1cccc(OCCCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000737140514 599528554 /nfs/dbraw/zinc/52/85/54/599528554.db2.gz DVINCUDPULBRQZ-UHFFFAOYSA-N -1 1 387.400 0.154 20 0 GCADMM CSC[C@](C)(O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737179522 599579053 /nfs/dbraw/zinc/57/90/53/599579053.db2.gz LJHWSGBMYALFKH-MRXNPFEDSA-N -1 1 380.474 0.747 20 0 GCADMM CS(=O)(=O)c1cccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737175047 599605468 /nfs/dbraw/zinc/60/54/68/599605468.db2.gz ZYMUKTVUMVXAFY-UHFFFAOYSA-N -1 1 389.393 0.901 20 0 GCADMM CS(=O)(=O)c1cccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737175047 599605469 /nfs/dbraw/zinc/60/54/69/599605469.db2.gz ZYMUKTVUMVXAFY-UHFFFAOYSA-N -1 1 389.393 0.901 20 0 GCADMM C[C@H]1CN=C(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)S1 ZINC000820804629 599682855 /nfs/dbraw/zinc/68/28/55/599682855.db2.gz WBYOLSOBESNZSK-JTQLQIEISA-N -1 1 394.486 0.059 20 0 GCADMM C[C@H]1CN=C(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)S1 ZINC000820804629 599682856 /nfs/dbraw/zinc/68/28/56/599682856.db2.gz WBYOLSOBESNZSK-JTQLQIEISA-N -1 1 394.486 0.059 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](C(F)(F)F)O1 ZINC000820766881 599683857 /nfs/dbraw/zinc/68/38/57/599683857.db2.gz DPZZRBYCEOCEAQ-XVKPBYJWSA-N -1 1 378.336 0.602 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](C(F)(F)F)O1 ZINC000820766881 599683858 /nfs/dbraw/zinc/68/38/58/599683858.db2.gz DPZZRBYCEOCEAQ-XVKPBYJWSA-N -1 1 378.336 0.602 20 0 GCADMM Cc1nc(S(=O)(=O)[N-]CCNc2ccc(-c3nn[nH]n3)cn2)sc1C ZINC000822454365 607387428 /nfs/dbraw/zinc/38/74/28/607387428.db2.gz WGFABPXBQZEGNX-UHFFFAOYSA-N -1 1 380.459 0.725 20 0 GCADMM 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395.481 0.845 20 0 GCADMM CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000829069894 601940789 /nfs/dbraw/zinc/94/07/89/601940789.db2.gz VGANOGNEOMSPCO-RTBURBONSA-N -1 1 388.424 0.672 20 0 GCADMM O=C([O-])c1ccc(Br)c(S(=O)(=O)NCCc2nc[nH]n2)c1 ZINC000096767270 601995258 /nfs/dbraw/zinc/99/52/58/601995258.db2.gz CJFPPMRFDIFBMA-UHFFFAOYSA-N -1 1 375.204 0.786 20 0 GCADMM O=C([O-])c1cc(Br)cc(S(=O)(=O)NCCc2nc[nH]n2)c1 ZINC000833293806 601996184 /nfs/dbraw/zinc/99/61/84/601996184.db2.gz JBGGOAVONHHLAO-UHFFFAOYSA-N -1 1 375.204 0.786 20 0 GCADMM O=C([O-])c1cc(S(=O)(=O)NCCc2nc[nH]n2)c(F)cc1Br ZINC000833305153 601996228 /nfs/dbraw/zinc/99/62/28/601996228.db2.gz YOMGUEVJBOFYRN-UHFFFAOYSA-N -1 1 393.194 0.926 20 0 GCADMM O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826483071 607540058 /nfs/dbraw/zinc/54/00/58/607540058.db2.gz ZXDQMOSNKPBPCN-GOSISDBHSA-N -1 1 377.364 0.992 20 0 GCADMM O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826483071 607540060 /nfs/dbraw/zinc/54/00/60/607540060.db2.gz ZXDQMOSNKPBPCN-GOSISDBHSA-N -1 1 377.364 0.992 20 0 GCADMM C[C@]1(C(=O)[O-])CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)C1 ZINC000827995550 602067394 /nfs/dbraw/zinc/06/73/94/602067394.db2.gz AKSCHODEEMOGQX-IBGZPJMESA-N -1 1 390.488 0.885 20 0 GCADMM O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501988 607542651 /nfs/dbraw/zinc/54/26/51/607542651.db2.gz PHPBTERUURAFLI-UHFFFAOYSA-N -1 1 387.425 0.256 20 0 GCADMM O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501988 607542652 /nfs/dbraw/zinc/54/26/52/607542652.db2.gz PHPBTERUURAFLI-UHFFFAOYSA-N -1 1 387.425 0.256 20 0 GCADMM COc1ccccc1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000826220392 607542891 /nfs/dbraw/zinc/54/28/91/607542891.db2.gz MNSGKEIZLGZWOP-UHFFFAOYSA-N -1 1 395.427 0.426 20 0 GCADMM COc1ccccc1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000826220392 607542895 /nfs/dbraw/zinc/54/28/95/607542895.db2.gz MNSGKEIZLGZWOP-UHFFFAOYSA-N -1 1 395.427 0.426 20 0 GCADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000829955695 602072901 /nfs/dbraw/zinc/07/29/01/602072901.db2.gz ROWWVBADEOHGAT-AWEZNQCLSA-N -1 1 375.381 0.206 20 0 GCADMM CCC[C@H](O)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825248612 607554292 /nfs/dbraw/zinc/55/42/92/607554292.db2.gz XBLFHCLOGCNQLJ-LBPRGKRZSA-N -1 1 375.433 0.932 20 0 GCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000832916411 602344575 /nfs/dbraw/zinc/34/45/75/602344575.db2.gz OSOPYCCGLCYWPD-UHFFFAOYSA-N -1 1 383.470 0.988 20 0 GCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000832916411 602344576 /nfs/dbraw/zinc/34/45/76/602344576.db2.gz OSOPYCCGLCYWPD-UHFFFAOYSA-N -1 1 383.470 0.988 20 0 GCADMM CC(=O)N1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823973906 607579639 /nfs/dbraw/zinc/57/96/39/607579639.db2.gz MESZLRLZXVDOEF-UHFFFAOYSA-N -1 1 384.849 0.809 20 0 GCADMM CC(=O)N1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823973906 607579641 /nfs/dbraw/zinc/57/96/41/607579641.db2.gz MESZLRLZXVDOEF-UHFFFAOYSA-N -1 1 384.849 0.809 20 0 GCADMM CN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825886874 607580251 /nfs/dbraw/zinc/58/02/51/607580251.db2.gz AFXRNMHGHGZIJA-UHFFFAOYSA-N -1 1 384.849 0.763 20 0 GCADMM O=S(=O)(NCCCOC[C@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491175 607581158 /nfs/dbraw/zinc/58/11/58/607581158.db2.gz WYYQWYRXQKDRSC-LLVKDONJSA-N -1 1 385.421 0.870 20 0 GCADMM O=S(=O)(NCCCOC[C@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491175 607581160 /nfs/dbraw/zinc/58/11/60/607581160.db2.gz WYYQWYRXQKDRSC-LLVKDONJSA-N -1 1 385.421 0.870 20 0 GCADMM O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493254 607577636 /nfs/dbraw/zinc/57/76/36/607577636.db2.gz BIUYMHBIQCYXSC-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM NC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826389400 607582347 /nfs/dbraw/zinc/58/23/47/607582347.db2.gz XASVMQAHHHILTD-ZDUSSCGKSA-N -1 1 376.373 0.511 20 0 GCADMM NC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826389400 607582348 /nfs/dbraw/zinc/58/23/48/607582348.db2.gz XASVMQAHHHILTD-ZDUSSCGKSA-N -1 1 376.373 0.511 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826437391 607582815 /nfs/dbraw/zinc/58/28/15/607582815.db2.gz JDRYJWZRBLRCPO-UHFFFAOYSA-N -1 1 390.400 0.714 20 0 GCADMM CC(=O)NCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823995047 607583559 /nfs/dbraw/zinc/58/35/59/607583559.db2.gz YIWDTYPGFLKTOM-UHFFFAOYSA-N -1 1 392.363 0.690 20 0 GCADMM NC(=O)CN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826391638 607590988 /nfs/dbraw/zinc/59/09/88/607590988.db2.gz UWJLDEFMGOCRSN-UHFFFAOYSA-N -1 1 384.849 0.939 20 0 GCADMM NC(=O)CN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826391638 607590990 /nfs/dbraw/zinc/59/09/90/607590990.db2.gz UWJLDEFMGOCRSN-UHFFFAOYSA-N -1 1 384.849 0.939 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000819884436 607596988 /nfs/dbraw/zinc/59/69/88/607596988.db2.gz WSSYOROJMPKBBE-WCFLWFBJSA-N -1 1 384.396 0.869 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000819884436 607596991 /nfs/dbraw/zinc/59/69/91/607596991.db2.gz WSSYOROJMPKBBE-WCFLWFBJSA-N -1 1 384.396 0.869 20 0 GCADMM NS(=O)(=O)c1ccc(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826394319 607599625 /nfs/dbraw/zinc/59/96/25/607599625.db2.gz FSRAZJIDGPPOFG-UHFFFAOYSA-N -1 1 388.409 0.585 20 0 GCADMM NS(=O)(=O)c1ccc(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826394319 607599626 /nfs/dbraw/zinc/59/96/26/607599626.db2.gz FSRAZJIDGPPOFG-UHFFFAOYSA-N -1 1 388.409 0.585 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)NCc1ccco1 ZINC000824641822 607599957 /nfs/dbraw/zinc/59/99/57/607599957.db2.gz ZOFCVFYCALRCPC-VIFPVBQESA-N -1 1 394.388 0.582 20 0 GCADMM CNC(=O)C1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826052726 607600311 /nfs/dbraw/zinc/60/03/11/607600311.db2.gz TXGBELAYUJKAFS-UHFFFAOYSA-N -1 1 382.421 0.589 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCC[C@@H]1C1OCCO1 ZINC000826495765 607604076 /nfs/dbraw/zinc/60/40/76/607604076.db2.gz AQHGKZPWBHMWDB-LLVKDONJSA-N -1 1 383.405 0.922 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCC[C@@H]1C1OCCO1 ZINC000826495765 607604078 /nfs/dbraw/zinc/60/40/78/607604078.db2.gz AQHGKZPWBHMWDB-LLVKDONJSA-N -1 1 383.405 0.922 20 0 GCADMM CN(CCN1CCOCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825937357 607604838 /nfs/dbraw/zinc/60/48/38/607604838.db2.gz ARYLWZBGQLDVEU-UHFFFAOYSA-N -1 1 386.865 0.473 20 0 GCADMM CN(CCN1CCOCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825937357 607604840 /nfs/dbraw/zinc/60/48/40/607604840.db2.gz ARYLWZBGQLDVEU-UHFFFAOYSA-N -1 1 386.865 0.473 20 0 GCADMM CC1(C)COCCN1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824813407 607606812 /nfs/dbraw/zinc/60/68/12/607606812.db2.gz XVRSKYCYJPDFNK-UHFFFAOYSA-N -1 1 384.437 0.395 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824108025 607609532 /nfs/dbraw/zinc/60/95/32/607609532.db2.gz ARYZQSGJVUPQTK-ZDUSSCGKSA-N -1 1 390.400 0.941 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824108025 607609533 /nfs/dbraw/zinc/60/95/33/607609533.db2.gz ARYZQSGJVUPQTK-ZDUSSCGKSA-N -1 1 390.400 0.941 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000826495420 607614115 /nfs/dbraw/zinc/61/41/15/607614115.db2.gz OPOFTVAMRCONDC-GFCCVEGCSA-N -1 1 393.404 0.292 20 0 GCADMM O=S(=O)(NCCOC[C@H]1CCOC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491406 607614196 /nfs/dbraw/zinc/61/41/96/607614196.db2.gz IJIXOUQGPRBXAU-JTQLQIEISA-N -1 1 387.849 0.852 20 0 GCADMM O=S(=O)(NCCOC[C@H]1CCOC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491406 607614197 /nfs/dbraw/zinc/61/41/97/607614197.db2.gz IJIXOUQGPRBXAU-JTQLQIEISA-N -1 1 387.849 0.852 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000826495910 607614244 /nfs/dbraw/zinc/61/42/44/607614244.db2.gz GFOXFTNZLXUFBW-LLVKDONJSA-N -1 1 393.404 0.292 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000826495910 607614245 /nfs/dbraw/zinc/61/42/45/607614245.db2.gz GFOXFTNZLXUFBW-LLVKDONJSA-N -1 1 393.404 0.292 20 0 GCADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CN1CCOCC1 ZINC000824426787 607620864 /nfs/dbraw/zinc/62/08/64/607620864.db2.gz IAOQSRAYVGMYHY-LLVKDONJSA-N -1 1 384.437 0.252 20 0 GCADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CN1CCOCC1 ZINC000824426787 607620866 /nfs/dbraw/zinc/62/08/66/607620866.db2.gz IAOQSRAYVGMYHY-LLVKDONJSA-N -1 1 384.437 0.252 20 0 GCADMM Cc1nc(C(=O)NC2CCN(C(=O)[O-])CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000830704123 603442975 /nfs/dbraw/zinc/44/29/75/603442975.db2.gz LXLAFQBBWNCXCD-UHFFFAOYSA-N -1 1 388.310 0.585 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(CCO)Cc1cccnc1 ZINC000826495248 607632958 /nfs/dbraw/zinc/63/29/58/607632958.db2.gz IKGWRSIURUHHLW-UHFFFAOYSA-N -1 1 378.389 0.584 20 0 GCADMM C[C@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000824670778 607637581 /nfs/dbraw/zinc/63/75/81/607637581.db2.gz VAUZNYYDHQHUIX-HNNXBMFYSA-N -1 1 396.379 0.726 20 0 GCADMM C[C@](O)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000824670778 607637583 /nfs/dbraw/zinc/63/75/83/607637583.db2.gz VAUZNYYDHQHUIX-HNNXBMFYSA-N -1 1 396.379 0.726 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nsc(N(C)C)n1 ZINC000825000407 607640456 /nfs/dbraw/zinc/64/04/56/607640456.db2.gz PTRUTMDKTZFVIA-SNVBAGLBSA-N -1 1 387.477 0.285 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nsc(N(C)C)n1 ZINC000825000407 607640457 /nfs/dbraw/zinc/64/04/57/607640457.db2.gz PTRUTMDKTZFVIA-SNVBAGLBSA-N -1 1 387.477 0.285 20 0 GCADMM Cc1cc([C@](C)(O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)o1 ZINC000826261896 607645434 /nfs/dbraw/zinc/64/54/34/607645434.db2.gz XBYGFWRTIAQLNU-OAHLLOKOSA-N -1 1 378.414 0.658 20 0 GCADMM Cc1cc([C@](C)(O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)o1 ZINC000826261896 607645435 /nfs/dbraw/zinc/64/54/35/607645435.db2.gz XBYGFWRTIAQLNU-OAHLLOKOSA-N -1 1 378.414 0.658 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826496550 607653522 /nfs/dbraw/zinc/65/35/22/607653522.db2.gz ZPDWAZZTLYXIHC-LLVKDONJSA-N -1 1 381.311 0.694 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826496550 607653523 /nfs/dbraw/zinc/65/35/23/607653523.db2.gz ZPDWAZZTLYXIHC-LLVKDONJSA-N -1 1 381.311 0.694 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826496551 607653645 /nfs/dbraw/zinc/65/36/45/607653645.db2.gz ZPDWAZZTLYXIHC-NSHDSACASA-N -1 1 381.311 0.694 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826496551 607653646 /nfs/dbraw/zinc/65/36/46/607653646.db2.gz ZPDWAZZTLYXIHC-NSHDSACASA-N -1 1 381.311 0.694 20 0 GCADMM CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCN1C[C@@H](C)O ZINC000825209848 607652160 /nfs/dbraw/zinc/65/21/60/607652160.db2.gz DAEDKEBKVLDMHO-NEPJUHHUSA-N -1 1 398.464 0.472 20 0 GCADMM O=S(=O)(NCc1nnnn1C1CC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492554 607655823 /nfs/dbraw/zinc/65/58/23/607655823.db2.gz QTNMOQNKPWUTEC-UHFFFAOYSA-N -1 1 381.809 0.320 20 0 GCADMM O=S(=O)(NCc1nnnn1C1CC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492554 607655825 /nfs/dbraw/zinc/65/58/25/607655825.db2.gz QTNMOQNKPWUTEC-UHFFFAOYSA-N -1 1 381.809 0.320 20 0 GCADMM O=S(=O)(NC[C@@]1(O)CCSC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489994 607661108 /nfs/dbraw/zinc/66/11/08/607661108.db2.gz GUEQLSNTFFDTHS-LBPRGKRZSA-N -1 1 375.863 0.666 20 0 GCADMM O=S(=O)(NC[C@@]1(O)CCSC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489994 607661110 /nfs/dbraw/zinc/66/11/10/607661110.db2.gz GUEQLSNTFFDTHS-LBPRGKRZSA-N -1 1 375.863 0.666 20 0 GCADMM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826389996 607671541 /nfs/dbraw/zinc/67/15/41/607671541.db2.gz NKNUCRQVCMGKKC-JQWIXIFHSA-N -1 1 382.421 0.718 20 0 GCADMM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824406556 607673379 /nfs/dbraw/zinc/67/33/79/607673379.db2.gz MTYAHJBXAFYBRK-MRVPVSSYSA-N -1 1 393.878 0.622 20 0 GCADMM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824406556 607673381 /nfs/dbraw/zinc/67/33/81/607673381.db2.gz MTYAHJBXAFYBRK-MRVPVSSYSA-N -1 1 393.878 0.622 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nnc2n1CCCC2 ZINC000824640738 607673734 /nfs/dbraw/zinc/67/37/34/607673734.db2.gz NUIRVTOYWUTNMH-SECBINFHSA-N -1 1 392.420 0.973 20 0 GCADMM COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826103676 607673982 /nfs/dbraw/zinc/67/39/82/607673982.db2.gz KKQHSJIDWOAZLB-SSDOTTSWSA-N -1 1 393.347 0.973 20 0 GCADMM C[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[S@](C)=O ZINC000824400869 607674599 /nfs/dbraw/zinc/67/45/99/607674599.db2.gz LWALJDYKNBYGBI-ZCAPAMDOSA-N -1 1 377.879 0.956 20 0 GCADMM C[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[S@](C)=O ZINC000824400869 607674600 /nfs/dbraw/zinc/67/46/00/607674600.db2.gz LWALJDYKNBYGBI-ZCAPAMDOSA-N -1 1 377.879 0.956 20 0 GCADMM C[C@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[S@@](C)=O ZINC000824400864 607674931 /nfs/dbraw/zinc/67/49/31/607674931.db2.gz LWALJDYKNBYGBI-CWMRNNLJSA-N -1 1 377.879 0.956 20 0 GCADMM C[C@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[S@@](C)=O ZINC000824400864 607674933 /nfs/dbraw/zinc/67/49/33/607674933.db2.gz LWALJDYKNBYGBI-CWMRNNLJSA-N -1 1 377.879 0.956 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000826494593 607676034 /nfs/dbraw/zinc/67/60/34/607676034.db2.gz JBXHHSFYTIKIPA-HNNXBMFYSA-N -1 1 388.409 0.730 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000826494593 607676036 /nfs/dbraw/zinc/67/60/36/607676036.db2.gz JBXHHSFYTIKIPA-HNNXBMFYSA-N -1 1 388.409 0.730 20 0 GCADMM NC(=O)Cc1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826392375 607676964 /nfs/dbraw/zinc/67/69/64/607676964.db2.gz WGHHHXQVTXYZFU-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM NC(=O)Cc1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826392375 607676965 /nfs/dbraw/zinc/67/69/65/607676965.db2.gz WGHHHXQVTXYZFU-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000827354342 604299263 /nfs/dbraw/zinc/29/92/63/604299263.db2.gz FMTTZPFLOQJNRH-KBPBESRZSA-N -1 1 385.461 0.630 20 0 GCADMM COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000831084509 604358476 /nfs/dbraw/zinc/35/84/76/604358476.db2.gz MJESIWVFBRLQGT-KRWDZBQOSA-N -1 1 397.859 0.763 20 0 GCADMM COC(=O)CNC(=O)CCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831175863 604358845 /nfs/dbraw/zinc/35/88/45/604358845.db2.gz SCDKEQNHKDSSCR-QGZVFWFLSA-N -1 1 397.859 0.763 20 0 GCADMM CNC(=O)NC(=O)CCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831001272 604360896 /nfs/dbraw/zinc/36/08/96/604360896.db2.gz ZERHGHDPDGMEHP-OAHLLOKOSA-N -1 1 382.848 0.929 20 0 GCADMM COc1cc(CNC2CN(C(=O)[O-])C2)ccc1OCC(=O)N1CCOCC1 ZINC000829125346 604419822 /nfs/dbraw/zinc/41/98/22/604419822.db2.gz RLAPALKDBKLZDF-UHFFFAOYSA-N -1 1 379.413 0.385 20 0 GCADMM COC(=O)C1=C(CN[C@]2(C(=O)[O-])CCOC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000833702922 604486848 /nfs/dbraw/zinc/48/68/48/604486848.db2.gz BMSODAGBCVLIAJ-DNVCBOLYSA-N -1 1 389.408 0.643 20 0 GCADMM C[C@@]1(c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2)NC(=O)NC1=O ZINC000833573646 604688169 /nfs/dbraw/zinc/68/81/69/604688169.db2.gz KYGNWEFDKRORGA-INIZCTEOSA-N -1 1 390.377 0.635 20 0 GCADMM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000833763966 604751065 /nfs/dbraw/zinc/75/10/65/604751065.db2.gz PUHGIXLOAXWMMJ-KRWDZBQOSA-N -1 1 375.469 0.840 20 0 GCADMM CC[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCN1C[C@H](C)O ZINC000829140324 604752669 /nfs/dbraw/zinc/75/26/69/604752669.db2.gz DATFPHFWLDWRFR-KFKAGJAMSA-N -1 1 389.496 0.802 20 0 GCADMM CN(C(=O)CN1CCO[C@H](CN2CCN(C)CC2)C1)c1ccccc1C(=O)[O-] ZINC000830950790 604756515 /nfs/dbraw/zinc/75/65/15/604756515.db2.gz QGUYLKWOXDXASN-MRXNPFEDSA-N -1 1 390.484 0.296 20 0 GCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000826295031 607716290 /nfs/dbraw/zinc/71/62/90/607716290.db2.gz NQXCUXKTLFSREA-VXGBXAGGSA-N -1 1 383.412 0.521 20 0 GCADMM CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000830951204 604824619 /nfs/dbraw/zinc/82/46/19/604824619.db2.gz WOXLQTZMAIADHI-LBPRGKRZSA-N -1 1 398.847 0.104 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000833767639 604855637 /nfs/dbraw/zinc/85/56/37/604855637.db2.gz LQKSDQMNKINLTG-JKSUJKDBSA-N -1 1 376.388 0.734 20 0 GCADMM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410175 604937134 /nfs/dbraw/zinc/93/71/34/604937134.db2.gz VFULWYMJJPLHOA-MNOVXSKESA-N -1 1 380.445 0.060 20 0 GCADMM CNC(=O)C1(NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCCC1 ZINC000833699494 604951366 /nfs/dbraw/zinc/95/13/66/604951366.db2.gz QFMNZIWDLPXRQG-MRXNPFEDSA-N -1 1 386.452 0.928 20 0 GCADMM COC[C@](C)(CC(=O)OC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833722096 604954099 /nfs/dbraw/zinc/95/40/99/604954099.db2.gz ZODVKGQELNGEKN-KXBFYZLASA-N -1 1 378.425 0.582 20 0 GCADMM C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000833633726 604965380 /nfs/dbraw/zinc/96/53/80/604965380.db2.gz ZJQNIRHFDADHNU-WCQYABFASA-N -1 1 381.454 0.551 20 0 GCADMM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC000833495507 604980133 /nfs/dbraw/zinc/98/01/33/604980133.db2.gz FMUHSBCQETYCRT-KRWDZBQOSA-N -1 1 383.489 0.249 20 0 GCADMM C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833405526 604984968 /nfs/dbraw/zinc/98/49/68/604984968.db2.gz WHZJELJTPYQIGO-ACJLOTCBSA-N -1 1 392.452 0.663 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCS[C@@H](c3ccccc3)C2)n(C)c1=O ZINC000826356042 607728931 /nfs/dbraw/zinc/72/89/31/607728931.db2.gz YBNMXUKQDTWJEZ-GFCCVEGCSA-N -1 1 385.453 0.559 20 0 GCADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)n[nH]1 ZINC000833511761 605023053 /nfs/dbraw/zinc/02/30/53/605023053.db2.gz CKULIOUKEMCXRU-MFKMUULPSA-N -1 1 387.396 0.984 20 0 GCADMM COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1=O ZINC000170575769 605024085 /nfs/dbraw/zinc/02/40/85/605024085.db2.gz SZRBFRJATUSVSW-OCCSQVGLSA-N -1 1 386.408 0.892 20 0 GCADMM COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833725790 605056797 /nfs/dbraw/zinc/05/67/97/605056797.db2.gz HOOXHOCADILOOH-STQMWFEESA-N -1 1 380.449 0.450 20 0 GCADMM CN(CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C(=O)c1ccc(Br)o1 ZINC000833692460 605076216 /nfs/dbraw/zinc/07/62/16/605076216.db2.gz PQIHOKUKZLUMLA-VIFPVBQESA-N -1 1 399.201 0.649 20 0 GCADMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C2=O ZINC000833607546 605082902 /nfs/dbraw/zinc/08/29/02/605082902.db2.gz DEGGTSCRGGCAMA-QAGHZCBJSA-N -1 1 377.401 0.022 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000833618892 605101807 /nfs/dbraw/zinc/10/18/07/605101807.db2.gz GEIPJAUFUMACTP-HNNXBMFYSA-N -1 1 380.489 0.922 20 0 GCADMM CC(=O)N1C[C@H](C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)Oc2ccccc21 ZINC000833393832 605107109 /nfs/dbraw/zinc/10/71/09/605107109.db2.gz SOTAHMLRFVRIKB-CXAGYDPISA-N -1 1 375.425 0.808 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000833627601 605113515 /nfs/dbraw/zinc/11/35/15/605113515.db2.gz ZKKQDJQANNACTN-ZDUSSCGKSA-N -1 1 383.470 0.558 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000833627731 605137212 /nfs/dbraw/zinc/13/72/12/605137212.db2.gz ZOZIEOYVCFWTHD-ZDUSSCGKSA-N -1 1 388.424 0.473 20 0 GCADMM CC(C)[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)N1CCCS1(=O)=O ZINC000833465152 605159546 /nfs/dbraw/zinc/15/95/46/605159546.db2.gz HLSLLELACRQKPQ-ZFWWWQNUSA-N -1 1 375.491 0.054 20 0 GCADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c1 ZINC000833690617 605165495 /nfs/dbraw/zinc/16/54/95/605165495.db2.gz FYIZALZZLHTKCL-UHFFFAOYSA-N -1 1 385.423 0.831 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000833628347 605187544 /nfs/dbraw/zinc/18/75/44/605187544.db2.gz GLEQFHPODSQCEE-CQSZACIVSA-N -1 1 376.457 0.808 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000833628664 605191967 /nfs/dbraw/zinc/19/19/67/605191967.db2.gz NHDUZVSKADIYSI-AWEZNQCLSA-N -1 1 376.457 0.808 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000833627519 605207014 /nfs/dbraw/zinc/20/70/14/605207014.db2.gz XDAZIXFTTLVPOJ-ZDUSSCGKSA-N -1 1 388.424 0.359 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000833634159 605208793 /nfs/dbraw/zinc/20/87/93/605208793.db2.gz KPGXUNKVZYDYFI-ZIAGYGMSSA-N -1 1 387.440 0.332 20 0 GCADMM C[C@H]1NC(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)=NN(c2ccccc2)C1=O ZINC000833634156 605209220 /nfs/dbraw/zinc/20/92/20/605209220.db2.gz KPGXUNKVZYDYFI-UONOGXRCSA-N -1 1 387.440 0.332 20 0 GCADMM CC(C)C[C@H](NC(=O)CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)C(=O)[O-] ZINC000833492166 605248259 /nfs/dbraw/zinc/24/82/59/605248259.db2.gz KEXURSNUBZIQDS-LBPRGKRZSA-N -1 1 392.437 0.969 20 0 GCADMM C[C@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CCN1CCC(=O)[O-] ZINC000833617120 605251148 /nfs/dbraw/zinc/25/11/48/605251148.db2.gz AOAPAYCLKNBLJI-HNNXBMFYSA-N -1 1 380.489 0.922 20 0 GCADMM CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC000833505166 605255714 /nfs/dbraw/zinc/25/57/14/605255714.db2.gz YGBJSFKPIRLDBV-CQSZACIVSA-N -1 1 397.497 0.994 20 0 GCADMM Cc1sc2ncc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c(=O)n2c1C ZINC000833758279 605256027 /nfs/dbraw/zinc/25/60/27/605256027.db2.gz AIEXGMMJHDJRQR-SNVBAGLBSA-N -1 1 378.454 0.994 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCN1CCC(=O)[O-] ZINC000833625391 605259458 /nfs/dbraw/zinc/25/94/58/605259458.db2.gz XUIFKKOMOQOQES-ZDUSSCGKSA-N -1 1 395.481 0.630 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CCN1CCC(=O)[O-] ZINC000833621663 605277413 /nfs/dbraw/zinc/27/74/13/605277413.db2.gz LAEMZZKRQMYVGY-ZDUSSCGKSA-N -1 1 388.424 0.359 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCN1CCC(=O)[O-] ZINC000833622812 605277472 /nfs/dbraw/zinc/27/74/72/605277472.db2.gz OGQYGENDAIXTQZ-OAHLLOKOSA-N -1 1 384.436 0.913 20 0 GCADMM CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825898083 607745718 /nfs/dbraw/zinc/74/57/18/607745718.db2.gz YIQOUJWTNULVDE-UHFFFAOYSA-N -1 1 395.489 0.241 20 0 GCADMM CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825898083 607745719 /nfs/dbraw/zinc/74/57/19/607745719.db2.gz YIQOUJWTNULVDE-UHFFFAOYSA-N -1 1 395.489 0.241 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826425149 607752120 /nfs/dbraw/zinc/75/21/20/607752120.db2.gz RMTCGORXXZQBRX-QWHCGFSZSA-N -1 1 386.416 0.946 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000833618903 605532793 /nfs/dbraw/zinc/53/27/93/605532793.db2.gz GJORKFBNULNVSY-LYRGGWFBSA-N -1 1 393.465 0.698 20 0 GCADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2nc[nH]n2)no1 ZINC000824200754 607767640 /nfs/dbraw/zinc/76/76/40/607767640.db2.gz UQRJAISZCODMSJ-SNVBAGLBSA-N -1 1 381.360 0.557 20 0 GCADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2nc[nH]n2)no1 ZINC000824200754 607767641 /nfs/dbraw/zinc/76/76/41/607767641.db2.gz UQRJAISZCODMSJ-SNVBAGLBSA-N -1 1 381.360 0.557 20 0 GCADMM O=C([O-])N1CCC[C@H](NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000739401524 605661698 /nfs/dbraw/zinc/66/16/98/605661698.db2.gz CGRXXELQHNRLOG-DLBZAZTESA-N -1 1 376.457 0.847 20 0 GCADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000833709648 605768352 /nfs/dbraw/zinc/76/83/52/605768352.db2.gz UINWUYSXPLOYJX-BQBZGAKWSA-N -1 1 377.469 0.784 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CSc3cnccn3)CC2)o1 ZINC000822423902 606050148 /nfs/dbraw/zinc/05/01/48/606050148.db2.gz QOUUAGDDIDHPHT-UHFFFAOYSA-N -1 1 387.429 0.394 20 0 GCADMM Cc1oc(NC(=O)CN2CCN(c3cnn(C)c3)C(=O)C2)c(-c2nn[n-]n2)c1C ZINC000822547600 606115769 /nfs/dbraw/zinc/11/57/69/606115769.db2.gz ABCQREVHXXRZTN-UHFFFAOYSA-N -1 1 399.415 0.097 20 0 GCADMM CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821447749 606122868 /nfs/dbraw/zinc/12/28/68/606122868.db2.gz KNZXGASRGYBDCS-VLBDKCSNSA-N -1 1 384.487 0.620 20 0 GCADMM CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821447749 606122869 /nfs/dbraw/zinc/12/28/69/606122869.db2.gz KNZXGASRGYBDCS-VLBDKCSNSA-N -1 1 384.487 0.620 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1 ZINC000822619681 606127880 /nfs/dbraw/zinc/12/78/80/606127880.db2.gz FKQYWERCWMIBJB-LLVKDONJSA-N -1 1 380.368 0.058 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1 ZINC000822619681 606127882 /nfs/dbraw/zinc/12/78/82/606127882.db2.gz FKQYWERCWMIBJB-LLVKDONJSA-N -1 1 380.368 0.058 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821321447 606134196 /nfs/dbraw/zinc/13/41/96/606134196.db2.gz XCFUVUDJOCSXHA-SNVBAGLBSA-N -1 1 393.425 0.887 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821321447 606134198 /nfs/dbraw/zinc/13/41/98/606134198.db2.gz XCFUVUDJOCSXHA-SNVBAGLBSA-N -1 1 393.425 0.887 20 0 GCADMM CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC000820862004 606135247 /nfs/dbraw/zinc/13/52/47/606135247.db2.gz OPQSXQONPMVNFQ-UFBFGSQYSA-N -1 1 381.414 0.789 20 0 GCADMM CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC000820862004 606135249 /nfs/dbraw/zinc/13/52/49/606135249.db2.gz OPQSXQONPMVNFQ-UFBFGSQYSA-N -1 1 381.414 0.789 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCC(C(N)=O)CC1 ZINC000820507791 606137214 /nfs/dbraw/zinc/13/72/14/606137214.db2.gz KNFMSIPWRMBTFG-MRVPVSSYSA-N -1 1 378.414 0.197 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCC(C(N)=O)CC1 ZINC000820507791 606137216 /nfs/dbraw/zinc/13/72/16/606137216.db2.gz KNFMSIPWRMBTFG-MRVPVSSYSA-N -1 1 378.414 0.197 20 0 GCADMM C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nc2ccccc2o1 ZINC000820274892 606138100 /nfs/dbraw/zinc/13/81/00/606138100.db2.gz LOZBQAYXHFPSMD-VIFPVBQESA-N -1 1 382.384 0.621 20 0 GCADMM C[C@H]1[C@H](Cc2ccccc2)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820641616 606138497 /nfs/dbraw/zinc/13/84/97/606138497.db2.gz DMTRDTRCXNRQTD-JSGCOSHPSA-N -1 1 381.440 0.722 20 0 GCADMM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819805096 606138927 /nfs/dbraw/zinc/13/89/27/606138927.db2.gz YYAKKVSOAZOPIN-JTQLQIEISA-N -1 1 378.414 0.212 20 0 GCADMM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819805096 606138929 /nfs/dbraw/zinc/13/89/29/606138929.db2.gz YYAKKVSOAZOPIN-JTQLQIEISA-N -1 1 378.414 0.212 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)n1 ZINC000822609047 606159786 /nfs/dbraw/zinc/15/97/86/606159786.db2.gz IFQKXBDGHVWSHY-UHFFFAOYSA-N -1 1 397.399 0.296 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)n1 ZINC000822609047 606159788 /nfs/dbraw/zinc/15/97/88/606159788.db2.gz IFQKXBDGHVWSHY-UHFFFAOYSA-N -1 1 397.399 0.296 20 0 GCADMM NC(=O)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(F)c1 ZINC000822884865 606162254 /nfs/dbraw/zinc/16/22/54/606162254.db2.gz BXXDSMDTHRFFEJ-UHFFFAOYSA-N -1 1 388.367 0.164 20 0 GCADMM NC(=O)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(F)c1 ZINC000822884865 606162256 /nfs/dbraw/zinc/16/22/56/606162256.db2.gz BXXDSMDTHRFFEJ-UHFFFAOYSA-N -1 1 388.367 0.164 20 0 GCADMM CCO[C@H](C)c1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000821346222 606162431 /nfs/dbraw/zinc/16/24/31/606162431.db2.gz DVDHHHJQWYXZJS-MRVPVSSYSA-N -1 1 376.381 0.745 20 0 GCADMM CCO[C@H](C)c1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC000821346222 606162433 /nfs/dbraw/zinc/16/24/33/606162433.db2.gz DVDHHHJQWYXZJS-MRVPVSSYSA-N -1 1 376.381 0.745 20 0 GCADMM Cc1cccc(C)c1OC[C@H](O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822294146 606164033 /nfs/dbraw/zinc/16/40/33/606164033.db2.gz SMTBXTMIVWFSKN-GFCCVEGCSA-N -1 1 386.416 0.778 20 0 GCADMM Cc1cccc(C)c1OC[C@H](O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822294146 606164034 /nfs/dbraw/zinc/16/40/34/606164034.db2.gz SMTBXTMIVWFSKN-GFCCVEGCSA-N -1 1 386.416 0.778 20 0 GCADMM CN(C[C@@H](O)COCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821595309 606171058 /nfs/dbraw/zinc/17/10/58/606171058.db2.gz SDSOPOXYTSIWKM-CYBMUJFWSA-N -1 1 386.416 0.642 20 0 GCADMM CN(C[C@@H](O)COCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821595309 606171060 /nfs/dbraw/zinc/17/10/60/606171060.db2.gz SDSOPOXYTSIWKM-CYBMUJFWSA-N -1 1 386.416 0.642 20 0 GCADMM CCN(CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000821215992 606172809 /nfs/dbraw/zinc/17/28/09/606172809.db2.gz YNFFCPVAWRTAFD-UHFFFAOYSA-N -1 1 379.425 0.979 20 0 GCADMM CCN(CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000821215992 606172810 /nfs/dbraw/zinc/17/28/10/606172810.db2.gz YNFFCPVAWRTAFD-UHFFFAOYSA-N -1 1 379.425 0.979 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000822609634 606173589 /nfs/dbraw/zinc/17/35/89/606173589.db2.gz SPSJXOLAUUSMOE-HNNXBMFYSA-N -1 1 397.443 0.483 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000822609867 606173599 /nfs/dbraw/zinc/17/35/99/606173599.db2.gz XNOWRRSGAGZEFS-JTQLQIEISA-N -1 1 378.393 0.175 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000822609867 606173600 /nfs/dbraw/zinc/17/36/00/606173600.db2.gz XNOWRRSGAGZEFS-JTQLQIEISA-N -1 1 378.393 0.175 20 0 GCADMM CN(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])S(=O)(=O)c1cccnc1 ZINC000821593705 606195199 /nfs/dbraw/zinc/19/51/99/606195199.db2.gz GKFGRORKNNPKNS-UHFFFAOYSA-N -1 1 389.397 0.227 20 0 GCADMM O=S(=O)(CC1CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823557288 606201346 /nfs/dbraw/zinc/20/13/46/606201346.db2.gz ITNQIDCJEKVEKR-UHFFFAOYSA-N -1 1 379.446 0.594 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000823601042 606241570 /nfs/dbraw/zinc/24/15/70/606241570.db2.gz OOMXBNWRCOPELD-CYBMUJFWSA-N -1 1 394.457 0.610 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000823601042 606241572 /nfs/dbraw/zinc/24/15/72/606241572.db2.gz OOMXBNWRCOPELD-CYBMUJFWSA-N -1 1 394.457 0.610 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000821970148 606285899 /nfs/dbraw/zinc/28/58/99/606285899.db2.gz IZDNRPRRHPJLTL-VHSXEESVSA-N -1 1 393.473 0.216 20 0 GCADMM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823118605 606293342 /nfs/dbraw/zinc/29/33/42/606293342.db2.gz IAPGBOMWRFAHEY-UHFFFAOYSA-N -1 1 379.336 0.627 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@H](c3cnn(C)c3)C2)c(-c2nn[n-]n2)c1C ZINC000822548059 606335206 /nfs/dbraw/zinc/33/52/06/606335206.db2.gz DTQIJVOBXAUXLP-ZDUSSCGKSA-N -1 1 386.416 0.822 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823607893 606335219 /nfs/dbraw/zinc/33/52/19/606335219.db2.gz YJABNFQVBSEVRI-LBPRGKRZSA-N -1 1 397.432 0.964 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823607893 606335221 /nfs/dbraw/zinc/33/52/21/606335221.db2.gz YJABNFQVBSEVRI-LBPRGKRZSA-N -1 1 397.432 0.964 20 0 GCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000821768998 606387612 /nfs/dbraw/zinc/38/76/12/606387612.db2.gz CDFGVFGQAGDGRD-UHFFFAOYSA-N -1 1 384.352 0.327 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cc(C)c(F)cc2F)c1=O ZINC000821565562 606399474 /nfs/dbraw/zinc/39/94/74/606399474.db2.gz YZZQPUSAZKGBCT-UHFFFAOYSA-N -1 1 376.323 0.680 20 0 GCADMM COc1cc(OC)cc(-n2nnnc2CN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC000821724420 606430577 /nfs/dbraw/zinc/43/05/77/606430577.db2.gz UXXQOIFZIRRONN-UHFFFAOYSA-N -1 1 395.387 0.286 20 0 GCADMM COc1cc(OC)cc(-n2nnnc2CN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC000821724420 606430579 /nfs/dbraw/zinc/43/05/79/606430579.db2.gz UXXQOIFZIRRONN-UHFFFAOYSA-N -1 1 395.387 0.286 20 0 GCADMM C[C@@]1([C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607195 606433960 /nfs/dbraw/zinc/43/39/60/606433960.db2.gz MFVJSXNNFKRIHA-MGNBDDOMSA-N -1 1 393.411 0.624 20 0 GCADMM C[C@@]1([C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607195 606433962 /nfs/dbraw/zinc/43/39/62/606433962.db2.gz MFVJSXNNFKRIHA-MGNBDDOMSA-N -1 1 393.411 0.624 20 0 GCADMM C[C@@H]1CO[C@@H](c2ccccc2)CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820803468 606474904 /nfs/dbraw/zinc/47/49/04/606474904.db2.gz AKLVMQGLWKGMOV-DGCLKSJQSA-N -1 1 383.412 0.231 20 0 GCADMM C[C@H]1CO[C@H](c2ccccc2)CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820803467 606475228 /nfs/dbraw/zinc/47/52/28/606475228.db2.gz AKLVMQGLWKGMOV-AAEUAGOBSA-N -1 1 383.412 0.231 20 0 GCADMM CCO[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(CC)CC ZINC000821358673 606477737 /nfs/dbraw/zinc/47/77/37/606477737.db2.gz JYNNCVSSABSKLC-GHMZBOCLSA-N -1 1 377.449 0.660 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823478956 606492710 /nfs/dbraw/zinc/49/27/10/606492710.db2.gz XPGHJOOXEFDKGW-WDEREUQCSA-N -1 1 397.482 0.737 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823478956 606492712 /nfs/dbraw/zinc/49/27/12/606492712.db2.gz XPGHJOOXEFDKGW-WDEREUQCSA-N -1 1 397.482 0.737 20 0 GCADMM NC(=O)[C@H]1CC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)=NN1c1ccccc1 ZINC000822860233 606518904 /nfs/dbraw/zinc/51/89/04/606518904.db2.gz PBAVJNYXEORHCK-OAHLLOKOSA-N -1 1 392.379 0.425 20 0 GCADMM NC(=O)[C@H]1CC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)=NN1c1ccccc1 ZINC000822860233 606518906 /nfs/dbraw/zinc/51/89/06/606518906.db2.gz PBAVJNYXEORHCK-OAHLLOKOSA-N -1 1 392.379 0.425 20 0 GCADMM COC(=O)CN(C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000821661581 606546381 /nfs/dbraw/zinc/54/63/81/606546381.db2.gz PFXRBHVHPQQVHZ-UHFFFAOYSA-N -1 1 398.427 0.623 20 0 GCADMM COC(=O)CN(C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000821661581 606546383 /nfs/dbraw/zinc/54/63/83/606546383.db2.gz PFXRBHVHPQQVHZ-UHFFFAOYSA-N -1 1 398.427 0.623 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000822535515 606552943 /nfs/dbraw/zinc/55/29/43/606552943.db2.gz VALHOMUGOJGJAV-NSHDSACASA-N -1 1 382.384 0.408 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000822535515 606552945 /nfs/dbraw/zinc/55/29/45/606552945.db2.gz VALHOMUGOJGJAV-NSHDSACASA-N -1 1 382.384 0.408 20 0 GCADMM CO[C@H](C)c1nc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cs1 ZINC000821675781 606593708 /nfs/dbraw/zinc/59/37/08/606593708.db2.gz TUBAQCVWRCMHDU-SSDOTTSWSA-N -1 1 378.418 0.040 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccnc2N2CCOCC2)n1 ZINC000822620249 606597844 /nfs/dbraw/zinc/59/78/44/606597844.db2.gz OHIMVKUCCURDKB-UHFFFAOYSA-N -1 1 384.404 0.154 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccnc2N2CCOCC2)n1 ZINC000822620249 606597846 /nfs/dbraw/zinc/59/78/46/606597846.db2.gz OHIMVKUCCURDKB-UHFFFAOYSA-N -1 1 384.404 0.154 20 0 GCADMM CNC(=O)N1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000821634148 606614209 /nfs/dbraw/zinc/61/42/09/606614209.db2.gz TZGSYKDHYIABCU-JTQLQIEISA-N -1 1 376.421 0.361 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN(C)[C@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000822486478 606617979 /nfs/dbraw/zinc/61/79/79/606617979.db2.gz LCIGBFXKVMGJRY-AWEZNQCLSA-N -1 1 387.469 0.980 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000822006190 606625964 /nfs/dbraw/zinc/62/59/64/606625964.db2.gz YONOAWQRUPVHFI-GXFFZTMASA-N -1 1 390.444 0.827 20 0 GCADMM COC(=O)C[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CC1 ZINC000821657781 606626219 /nfs/dbraw/zinc/62/62/19/606626219.db2.gz WGCRJRWEMHJAPE-ZDUSSCGKSA-N -1 1 388.428 0.975 20 0 GCADMM Cc1oc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1S(=O)(=O)N(C)C ZINC000822540429 606648209 /nfs/dbraw/zinc/64/82/09/606648209.db2.gz AVCCJJWONNERIX-UHFFFAOYSA-N -1 1 392.397 0.770 20 0 GCADMM Cc1oc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1S(=O)(=O)N(C)C ZINC000822540429 606648210 /nfs/dbraw/zinc/64/82/10/606648210.db2.gz AVCCJJWONNERIX-UHFFFAOYSA-N -1 1 392.397 0.770 20 0 GCADMM Cc1cc(NC(=O)CSCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)no1 ZINC000822208231 606649561 /nfs/dbraw/zinc/64/95/61/606649561.db2.gz HPJFOSRNFZMFBY-UHFFFAOYSA-N -1 1 389.397 0.973 20 0 GCADMM Cc1cc(NC(=O)CSCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)no1 ZINC000822208231 606649562 /nfs/dbraw/zinc/64/95/62/606649562.db2.gz HPJFOSRNFZMFBY-UHFFFAOYSA-N -1 1 389.397 0.973 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000819884432 606650005 /nfs/dbraw/zinc/65/00/05/606650005.db2.gz WSSYOROJMPKBBE-RAIGVLPGSA-N -1 1 384.396 0.869 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000819884432 606650006 /nfs/dbraw/zinc/65/00/06/606650006.db2.gz WSSYOROJMPKBBE-RAIGVLPGSA-N -1 1 384.396 0.869 20 0 GCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000823436263 606650569 /nfs/dbraw/zinc/65/05/69/606650569.db2.gz OCTNKOMUOYQBPU-UHFFFAOYSA-N -1 1 393.363 0.671 20 0 GCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000823436263 606650570 /nfs/dbraw/zinc/65/05/70/606650570.db2.gz OCTNKOMUOYQBPU-UHFFFAOYSA-N -1 1 393.363 0.671 20 0 GCADMM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1ccnc(-c3nnn[n-]3)c1)C2=O ZINC000820698359 606652748 /nfs/dbraw/zinc/65/27/48/606652748.db2.gz SYOUJRKDMJSSQW-VOJFVSQTSA-N -1 1 399.411 0.806 20 0 GCADMM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1ccnc(-c3nn[n-]n3)c1)C2=O ZINC000820698359 606652749 /nfs/dbraw/zinc/65/27/49/606652749.db2.gz SYOUJRKDMJSSQW-VOJFVSQTSA-N -1 1 399.411 0.806 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000822903925 606695255 /nfs/dbraw/zinc/69/52/55/606695255.db2.gz QCGBAHDUNVEEIC-UHFFFAOYSA-N -1 1 380.290 0.734 20 0 GCADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2Cl)cn1 ZINC000821663962 606710376 /nfs/dbraw/zinc/71/03/76/606710376.db2.gz WLSMSGPNCUSVEP-UHFFFAOYSA-N -1 1 397.804 0.690 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H]1C ZINC000821657292 606745081 /nfs/dbraw/zinc/74/50/81/606745081.db2.gz LKDSOUFKNZVQBM-KCJUWKMLSA-N -1 1 385.833 0.950 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC000821657278 606745338 /nfs/dbraw/zinc/74/53/38/606745338.db2.gz LDRXXQCLBMDFKK-BDAKNGLRSA-N -1 1 385.833 0.950 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC000821657278 606745340 /nfs/dbraw/zinc/74/53/40/606745340.db2.gz LDRXXQCLBMDFKK-BDAKNGLRSA-N -1 1 385.833 0.950 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCC(S(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000822542596 606754482 /nfs/dbraw/zinc/75/44/82/606754482.db2.gz ZZRGGCXZWKONQG-SNVBAGLBSA-N -1 1 396.473 0.913 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccccn1 ZINC000820788684 606763029 /nfs/dbraw/zinc/76/30/29/606763029.db2.gz MFDFDCZERMKZGP-LBPRGKRZSA-N -1 1 380.416 0.472 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccccn1 ZINC000820788684 606763030 /nfs/dbraw/zinc/76/30/30/606763030.db2.gz MFDFDCZERMKZGP-LBPRGKRZSA-N -1 1 380.416 0.472 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000820788631 606767317 /nfs/dbraw/zinc/76/73/17/606767317.db2.gz KYLVFJRFVPQSBC-LLVKDONJSA-N -1 1 396.415 0.098 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000820788631 606767319 /nfs/dbraw/zinc/76/73/19/606767319.db2.gz KYLVFJRFVPQSBC-LLVKDONJSA-N -1 1 396.415 0.098 20 0 GCADMM COc1ncccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821919782 606767839 /nfs/dbraw/zinc/76/78/39/606767839.db2.gz DGMARPGAVPTRAF-LLVKDONJSA-N -1 1 396.415 0.803 20 0 GCADMM COc1ncccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821919782 606767841 /nfs/dbraw/zinc/76/78/41/606767841.db2.gz DGMARPGAVPTRAF-LLVKDONJSA-N -1 1 396.415 0.803 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000820803609 606769145 /nfs/dbraw/zinc/76/91/45/606769145.db2.gz DBXNRUMIDSQKQB-RBSFLKMASA-N -1 1 397.487 0.916 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000820803609 606769146 /nfs/dbraw/zinc/76/91/46/606769146.db2.gz DBXNRUMIDSQKQB-RBSFLKMASA-N -1 1 397.487 0.916 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCCCCC1 ZINC000820788215 606777239 /nfs/dbraw/zinc/77/72/39/606777239.db2.gz AVYLXTBYSWGRAV-AWEZNQCLSA-N -1 1 385.476 0.570 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCCCCC1 ZINC000820788215 606777241 /nfs/dbraw/zinc/77/72/41/606777241.db2.gz AVYLXTBYSWGRAV-AWEZNQCLSA-N -1 1 385.476 0.570 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1ccco1 ZINC000820788612 606777403 /nfs/dbraw/zinc/77/74/03/606777403.db2.gz KORFTJNLWOJFDA-LBPRGKRZSA-N -1 1 383.416 0.077 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1ccco1 ZINC000820788612 606777404 /nfs/dbraw/zinc/77/74/04/606777404.db2.gz KORFTJNLWOJFDA-LBPRGKRZSA-N -1 1 383.416 0.077 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCCC[C@@H]1C ZINC000820788299 606777495 /nfs/dbraw/zinc/77/74/95/606777495.db2.gz CLDDXOKVDYDXDS-UONOGXRCSA-N -1 1 385.476 0.568 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCCC[C@@H]1C ZINC000820788299 606777496 /nfs/dbraw/zinc/77/74/96/606777496.db2.gz CLDDXOKVDYDXDS-UONOGXRCSA-N -1 1 385.476 0.568 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC[S@@](=O)c1ccccc1 ZINC000820788948 606777807 /nfs/dbraw/zinc/77/78/07/606777807.db2.gz RUEMNTVSLZYDRE-HJFSHJIFSA-N -1 1 398.496 0.975 20 0 GCADMM CO[C@H](C)c1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000821675527 606778489 /nfs/dbraw/zinc/77/84/89/606778489.db2.gz NPTBBKCQTYIWPC-GHMZBOCLSA-N -1 1 386.420 0.458 20 0 GCADMM CO[C@H](C)c1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000821675527 606778492 /nfs/dbraw/zinc/77/84/92/606778492.db2.gz NPTBBKCQTYIWPC-GHMZBOCLSA-N -1 1 386.420 0.458 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000820788733 606779430 /nfs/dbraw/zinc/77/94/30/606779430.db2.gz NDYSWOBMQQARAM-SOUVJXGZSA-N -1 1 399.503 0.957 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000820788733 606779432 /nfs/dbraw/zinc/77/94/32/606779432.db2.gz NDYSWOBMQQARAM-SOUVJXGZSA-N -1 1 399.503 0.957 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC(C1CC1)C1CC1 ZINC000820788266 606779623 /nfs/dbraw/zinc/77/96/23/606779623.db2.gz BWCDREIQFNQLLN-LBPRGKRZSA-N -1 1 397.487 0.472 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC(C1CC1)C1CC1 ZINC000820788266 606779625 /nfs/dbraw/zinc/77/96/25/606779625.db2.gz BWCDREIQFNQLLN-LBPRGKRZSA-N -1 1 397.487 0.472 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1ccccc1 ZINC000820788595 606779775 /nfs/dbraw/zinc/77/97/75/606779775.db2.gz KCVSVUWPUSYRAI-AWEZNQCLSA-N -1 1 393.455 0.484 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1ccccc1 ZINC000820788595 606779776 /nfs/dbraw/zinc/77/97/76/606779776.db2.gz KCVSVUWPUSYRAI-AWEZNQCLSA-N -1 1 393.455 0.484 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc2n1CCCCC2 ZINC000820804198 606780370 /nfs/dbraw/zinc/78/03/70/606780370.db2.gz NWIOMSAJPFBXFY-CYBMUJFWSA-N -1 1 395.475 0.685 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc2n1CCCCC2 ZINC000820804198 606780371 /nfs/dbraw/zinc/78/03/71/606780371.db2.gz NWIOMSAJPFBXFY-CYBMUJFWSA-N -1 1 395.475 0.685 20 0 GCADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000822207251 606781338 /nfs/dbraw/zinc/78/13/38/606781338.db2.gz PMDRXNLKDXQHFD-SNVBAGLBSA-N -1 1 384.404 0.102 20 0 GCADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000822207251 606781340 /nfs/dbraw/zinc/78/13/40/606781340.db2.gz PMDRXNLKDXQHFD-SNVBAGLBSA-N -1 1 384.404 0.102 20 0 GCADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)on1 ZINC000822207474 606781630 /nfs/dbraw/zinc/78/16/30/606781630.db2.gz XTLGDPXCRWZZGQ-NSHDSACASA-N -1 1 384.404 0.102 20 0 GCADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)on1 ZINC000822207474 606781631 /nfs/dbraw/zinc/78/16/31/606781631.db2.gz XTLGDPXCRWZZGQ-NSHDSACASA-N -1 1 384.404 0.102 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)CC(F)(F)F ZINC000820789151 606782516 /nfs/dbraw/zinc/78/25/16/606782516.db2.gz WMRRDFUACMYVHO-JTQLQIEISA-N -1 1 399.381 0.188 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)CC(F)(F)F ZINC000820789151 606782518 /nfs/dbraw/zinc/78/25/18/606782518.db2.gz WMRRDFUACMYVHO-JTQLQIEISA-N -1 1 399.381 0.188 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)C1CCCCC1 ZINC000820788457 606784830 /nfs/dbraw/zinc/78/48/30/606784830.db2.gz HPRVHTXRYXEYJC-AWEZNQCLSA-N -1 1 399.503 0.958 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)C1CCCCC1 ZINC000820788457 606784831 /nfs/dbraw/zinc/78/48/31/606784831.db2.gz HPRVHTXRYXEYJC-AWEZNQCLSA-N -1 1 399.503 0.958 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1cccc(F)c1 ZINC000820788676 606785512 /nfs/dbraw/zinc/78/55/12/606785512.db2.gz LZYWOEXELIHAQA-LBPRGKRZSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1cccc(F)c1 ZINC000820788676 606785514 /nfs/dbraw/zinc/78/55/14/606785514.db2.gz LZYWOEXELIHAQA-LBPRGKRZSA-N -1 1 397.418 0.945 20 0 GCADMM CC(C)OCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820142509 606786638 /nfs/dbraw/zinc/78/66/38/606786638.db2.gz OHJMEPQTCVASNC-CYBMUJFWSA-N -1 1 389.464 0.692 20 0 GCADMM CC(C)OCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820142509 606786639 /nfs/dbraw/zinc/78/66/39/606786639.db2.gz OHJMEPQTCVASNC-CYBMUJFWSA-N -1 1 389.464 0.692 20 0 GCADMM COCCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821686819 606788115 /nfs/dbraw/zinc/78/81/15/606788115.db2.gz AYDZKXUENKNPPO-LBPRGKRZSA-N -1 1 375.437 0.303 20 0 GCADMM COCCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821686819 606788117 /nfs/dbraw/zinc/78/81/17/606788117.db2.gz AYDZKXUENKNPPO-LBPRGKRZSA-N -1 1 375.437 0.303 20 0 GCADMM C[C@H](Cn1cccn1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820308191 606788257 /nfs/dbraw/zinc/78/82/57/606788257.db2.gz UCOBXLZYIZPADT-CHWSQXEVSA-N -1 1 397.447 0.162 20 0 GCADMM C[C@H](Cn1cccn1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820308191 606788260 /nfs/dbraw/zinc/78/82/60/606788260.db2.gz UCOBXLZYIZPADT-CHWSQXEVSA-N -1 1 397.447 0.162 20 0 GCADMM COCCCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821687145 606791237 /nfs/dbraw/zinc/79/12/37/606791237.db2.gz QOLHACRPJYUEMS-ZDUSSCGKSA-N -1 1 389.464 0.694 20 0 GCADMM COCCCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821687145 606791239 /nfs/dbraw/zinc/79/12/39/606791239.db2.gz QOLHACRPJYUEMS-ZDUSSCGKSA-N -1 1 389.464 0.694 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000822199603 606791963 /nfs/dbraw/zinc/79/19/63/606791963.db2.gz AHIFOMAGLVZNIO-SNVBAGLBSA-N -1 1 384.404 0.373 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000822199603 606791965 /nfs/dbraw/zinc/79/19/65/606791965.db2.gz AHIFOMAGLVZNIO-SNVBAGLBSA-N -1 1 384.404 0.373 20 0 GCADMM CO[C@@H](C)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821673435 606792759 /nfs/dbraw/zinc/79/27/59/606792759.db2.gz AZUGXRKEXGYYCB-NEPJUHHUSA-N -1 1 375.437 0.302 20 0 GCADMM CO[C@@H](C)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821673435 606792762 /nfs/dbraw/zinc/79/27/62/606792762.db2.gz AZUGXRKEXGYYCB-NEPJUHHUSA-N -1 1 375.437 0.302 20 0 GCADMM CSC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821956593 606792792 /nfs/dbraw/zinc/79/27/92/606792792.db2.gz SDWKQMQHUJLOBE-QWRGUYRKSA-N -1 1 377.478 0.628 20 0 GCADMM CSC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821956593 606792795 /nfs/dbraw/zinc/79/27/95/606792795.db2.gz SDWKQMQHUJLOBE-QWRGUYRKSA-N -1 1 377.478 0.628 20 0 GCADMM CSCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821962039 606793039 /nfs/dbraw/zinc/79/30/39/606793039.db2.gz OBKCMFLGFOLJEC-NSHDSACASA-N -1 1 377.478 0.630 20 0 GCADMM CSCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821962039 606793041 /nfs/dbraw/zinc/79/30/41/606793041.db2.gz OBKCMFLGFOLJEC-NSHDSACASA-N -1 1 377.478 0.630 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCOC1CCC1 ZINC000820788636 606794489 /nfs/dbraw/zinc/79/44/89/606794489.db2.gz LDPLILCUGUKZMI-LBPRGKRZSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCOC1CCC1 ZINC000820788636 606794490 /nfs/dbraw/zinc/79/44/90/606794490.db2.gz LDPLILCUGUKZMI-LBPRGKRZSA-N -1 1 387.448 0.446 20 0 GCADMM COC(C)(C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821672230 606795049 /nfs/dbraw/zinc/79/50/49/606795049.db2.gz DBSRRDAXZNENMZ-LLVKDONJSA-N -1 1 375.437 0.302 20 0 GCADMM COC(C)(C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821672230 606795051 /nfs/dbraw/zinc/79/50/51/606795051.db2.gz DBSRRDAXZNENMZ-LLVKDONJSA-N -1 1 375.437 0.302 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc2nccnc2n1 ZINC000820803945 606806703 /nfs/dbraw/zinc/80/67/03/606806703.db2.gz KBBUUEJNDNTOSM-LLVKDONJSA-N -1 1 375.400 0.710 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc2nccnc2n1 ZINC000820803945 606806704 /nfs/dbraw/zinc/80/67/04/606806704.db2.gz KBBUUEJNDNTOSM-LLVKDONJSA-N -1 1 375.400 0.710 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2c1CN(C)CC2 ZINC000820803636 606806918 /nfs/dbraw/zinc/80/69/18/606806918.db2.gz DLSQDXAONMMIQI-LBPRGKRZSA-N -1 1 393.459 0.150 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2c1CN(C)CC2 ZINC000820803636 606806920 /nfs/dbraw/zinc/80/69/20/606806920.db2.gz DLSQDXAONMMIQI-LBPRGKRZSA-N -1 1 393.459 0.150 20 0 GCADMM COC[C@@](C)(NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(=O)OC ZINC000821680173 606814424 /nfs/dbraw/zinc/81/44/24/606814424.db2.gz BFBMAMHILJKJKP-QGZVFWFLSA-N -1 1 392.416 0.211 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CSc1ccncc1 ZINC000820774786 606819607 /nfs/dbraw/zinc/81/96/07/606819607.db2.gz GARYFMGXNODBCY-LBPRGKRZSA-N -1 1 397.468 0.881 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CSc1ccncc1 ZINC000820774786 606819608 /nfs/dbraw/zinc/81/96/08/606819608.db2.gz GARYFMGXNODBCY-LBPRGKRZSA-N -1 1 397.468 0.881 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000820788919 606820222 /nfs/dbraw/zinc/82/02/22/606820222.db2.gz RJHRUEDCBMWWHV-GFCCVEGCSA-N -1 1 396.459 0.959 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000820788919 606820224 /nfs/dbraw/zinc/82/02/24/606820224.db2.gz RJHRUEDCBMWWHV-GFCCVEGCSA-N -1 1 396.459 0.959 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)on1 ZINC000820789009 606820292 /nfs/dbraw/zinc/82/02/92/606820292.db2.gz TVWGPOOUCHECNX-JTQLQIEISA-N -1 1 381.400 0.873 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC000820789009 606820294 /nfs/dbraw/zinc/82/02/94/606820294.db2.gz TVWGPOOUCHECNX-JTQLQIEISA-N -1 1 381.400 0.873 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC000820788334 606820329 /nfs/dbraw/zinc/82/03/29/606820329.db2.gz DOUJUSPPBUCKIX-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC000820788334 606820331 /nfs/dbraw/zinc/82/03/31/606820331.db2.gz DOUJUSPPBUCKIX-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccc(F)cc1 ZINC000820776705 606821102 /nfs/dbraw/zinc/82/11/02/606821102.db2.gz MSYFUCDYMFZLMA-GFCCVEGCSA-N -1 1 398.402 0.912 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccc(F)cc1 ZINC000820776705 606821103 /nfs/dbraw/zinc/82/11/03/606821103.db2.gz MSYFUCDYMFZLMA-GFCCVEGCSA-N -1 1 398.402 0.912 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)[nH]n1 ZINC000820187905 606821428 /nfs/dbraw/zinc/82/14/28/606821428.db2.gz YHGAGEOQNCUHSC-NSHDSACASA-N -1 1 382.432 0.854 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)[nH]n1 ZINC000820187905 606821432 /nfs/dbraw/zinc/82/14/32/606821432.db2.gz YHGAGEOQNCUHSC-NSHDSACASA-N -1 1 382.432 0.854 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)n(C)n1 ZINC000820788336 606821933 /nfs/dbraw/zinc/82/19/33/606821933.db2.gz DPLZZVMNRNMLSM-NSHDSACASA-N -1 1 394.443 0.619 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)n(C)n1 ZINC000820788336 606821934 /nfs/dbraw/zinc/82/19/34/606821934.db2.gz DPLZZVMNRNMLSM-NSHDSACASA-N -1 1 394.443 0.619 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cscn1 ZINC000820777176 606821971 /nfs/dbraw/zinc/82/19/71/606821971.db2.gz QCGBUVVDKRZLSH-NSHDSACASA-N -1 1 385.457 0.783 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cscn1 ZINC000820777176 606821972 /nfs/dbraw/zinc/82/19/72/606821972.db2.gz QCGBUVVDKRZLSH-NSHDSACASA-N -1 1 385.457 0.783 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cnn(C)c1 ZINC000820778090 606822019 /nfs/dbraw/zinc/82/20/19/606822019.db2.gz VMZBSIZVOKCOOI-MVZIDQBPSA-N -1 1 380.416 0.141 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cnn(C)c1 ZINC000820778090 606822020 /nfs/dbraw/zinc/82/20/20/606822020.db2.gz VMZBSIZVOKCOOI-MVZIDQBPSA-N -1 1 380.416 0.141 20 0 GCADMM Cc1cnn(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822403887 606822721 /nfs/dbraw/zinc/82/27/21/606822721.db2.gz YYBKVYQQSJVWSN-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cnn(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822403887 606822723 /nfs/dbraw/zinc/82/27/23/606822723.db2.gz YYBKVYQQSJVWSN-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccccc1 ZINC000820776325 606822997 /nfs/dbraw/zinc/82/29/97/606822997.db2.gz LPEJHOKQACPEHG-CYBMUJFWSA-N -1 1 380.412 0.773 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccccc1 ZINC000820776325 606822998 /nfs/dbraw/zinc/82/29/98/606822998.db2.gz LPEJHOKQACPEHG-CYBMUJFWSA-N -1 1 380.412 0.773 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccccc1 ZINC000820776329 606823325 /nfs/dbraw/zinc/82/33/25/606823325.db2.gz LPEJHOKQACPEHG-ZDUSSCGKSA-N -1 1 380.412 0.773 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccccc1 ZINC000820776329 606823327 /nfs/dbraw/zinc/82/33/27/606823327.db2.gz LPEJHOKQACPEHG-ZDUSSCGKSA-N -1 1 380.412 0.773 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cnn(C)c1 ZINC000819858190 606824329 /nfs/dbraw/zinc/82/43/29/606824329.db2.gz ZXWYIPNMMBYKHD-RYUDHWBXSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cnn(C)c1 ZINC000819858190 606824330 /nfs/dbraw/zinc/82/43/30/606824330.db2.gz ZXWYIPNMMBYKHD-RYUDHWBXSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCC1CCOCC1 ZINC000820776987 606824997 /nfs/dbraw/zinc/82/49/97/606824997.db2.gz ONQBOAGVPBHXDY-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCC1CCOCC1 ZINC000820776987 606824998 /nfs/dbraw/zinc/82/49/98/606824998.db2.gz ONQBOAGVPBHXDY-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822520283 606826278 /nfs/dbraw/zinc/82/62/78/606826278.db2.gz WWJCHELXAVLFPP-SNVBAGLBSA-N -1 1 383.416 0.541 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822520283 606826279 /nfs/dbraw/zinc/82/62/79/606826279.db2.gz WWJCHELXAVLFPP-SNVBAGLBSA-N -1 1 383.416 0.541 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccc(O)cc1 ZINC000820788286 606827180 /nfs/dbraw/zinc/82/71/80/606827180.db2.gz CCAZMKAWYDHUDX-LBPRGKRZSA-N -1 1 395.427 0.783 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccc(O)cc1 ZINC000820788286 606827182 /nfs/dbraw/zinc/82/71/82/606827182.db2.gz CCAZMKAWYDHUDX-LBPRGKRZSA-N -1 1 395.427 0.783 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cncc(F)c1 ZINC000820774280 606829198 /nfs/dbraw/zinc/82/91/98/606829198.db2.gz AERPDRLQVJUEHB-ZZKXABKFSA-N -1 1 395.402 0.941 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cncc(F)c1 ZINC000820774280 606829199 /nfs/dbraw/zinc/82/91/99/606829199.db2.gz AERPDRLQVJUEHB-ZZKXABKFSA-N -1 1 395.402 0.941 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1(O)CCCCC1 ZINC000820777500 606829565 /nfs/dbraw/zinc/82/95/65/606829565.db2.gz RUVHHUWHEWHRBR-ZDUSSCGKSA-N -1 1 386.460 0.779 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1(O)CCCCC1 ZINC000820777500 606829567 /nfs/dbraw/zinc/82/95/67/606829567.db2.gz RUVHHUWHEWHRBR-ZDUSSCGKSA-N -1 1 386.460 0.779 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1cccnc1 ZINC000820774290 606831038 /nfs/dbraw/zinc/83/10/38/606831038.db2.gz AFMVVYVESLXHSJ-LBPRGKRZSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1cccnc1 ZINC000820774290 606831040 /nfs/dbraw/zinc/83/10/40/606831040.db2.gz AFMVVYVESLXHSJ-LBPRGKRZSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000820788808 606831313 /nfs/dbraw/zinc/83/13/13/606831313.db2.gz OVWSXEPYDHDKGI-NSHDSACASA-N -1 1 393.411 0.107 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)cc1 ZINC000820788808 606831315 /nfs/dbraw/zinc/83/13/15/606831315.db2.gz OVWSXEPYDHDKGI-NSHDSACASA-N -1 1 393.411 0.107 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1ccccc1 ZINC000820776695 606831460 /nfs/dbraw/zinc/83/14/60/606831460.db2.gz MNVSZXJMTOQJKM-GFCCVEGCSA-N -1 1 393.411 0.333 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1ccccc1 ZINC000820776695 606831462 /nfs/dbraw/zinc/83/14/62/606831462.db2.gz MNVSZXJMTOQJKM-GFCCVEGCSA-N -1 1 393.411 0.333 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccc(O)cc1 ZINC000820776697 606831609 /nfs/dbraw/zinc/83/16/09/606831609.db2.gz MOQRRPBUSXDGJS-GFCCVEGCSA-N -1 1 396.411 0.478 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccc(O)cc1 ZINC000820776697 606831611 /nfs/dbraw/zinc/83/16/11/606831611.db2.gz MOQRRPBUSXDGJS-GFCCVEGCSA-N -1 1 396.411 0.478 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCCSC1 ZINC000820788560 606835468 /nfs/dbraw/zinc/83/54/68/606835468.db2.gz JPCGYJWMKPYITA-VXGBXAGGSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCCSC1 ZINC000820788560 606835469 /nfs/dbraw/zinc/83/54/69/606835469.db2.gz JPCGYJWMKPYITA-VXGBXAGGSA-N -1 1 389.489 0.772 20 0 GCADMM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821592618 606841077 /nfs/dbraw/zinc/84/10/77/606841077.db2.gz NGZNCHWXRUNKBQ-UHFFFAOYSA-N -1 1 394.388 0.536 20 0 GCADMM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000819805091 606841427 /nfs/dbraw/zinc/84/14/27/606841427.db2.gz YUWPPWPUCVRCBQ-NSHDSACASA-N -1 1 382.421 0.543 20 0 GCADMM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000819805089 606841448 /nfs/dbraw/zinc/84/14/48/606841448.db2.gz YUWPPWPUCVRCBQ-LLVKDONJSA-N -1 1 382.421 0.543 20 0 GCADMM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000820211313 606843363 /nfs/dbraw/zinc/84/33/63/606843363.db2.gz ICLMQWUOFZHNFP-UHFFFAOYSA-N -1 1 392.420 0.925 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823606261 606847378 /nfs/dbraw/zinc/84/73/78/606847378.db2.gz HSTMNBZZVVAGMI-QWHCGFSZSA-N -1 1 383.405 0.574 20 0 GCADMM CC1(C)CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000820607267 606847888 /nfs/dbraw/zinc/84/78/88/606847888.db2.gz OIKKKGQKRJYSMR-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1ccccc1 ZINC000820804309 606847924 /nfs/dbraw/zinc/84/79/24/606847924.db2.gz QBDKFPYUAKUKQL-LBPRGKRZSA-N -1 1 386.441 0.556 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1ccccc1 ZINC000820804309 606847925 /nfs/dbraw/zinc/84/79/25/606847925.db2.gz QBDKFPYUAKUKQL-LBPRGKRZSA-N -1 1 386.441 0.556 20 0 GCADMM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820736007 606848210 /nfs/dbraw/zinc/84/82/10/606848210.db2.gz WKQGWMVXELMCHT-GXFFZTMASA-N -1 1 391.457 0.187 20 0 GCADMM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820736007 606848212 /nfs/dbraw/zinc/84/82/12/606848212.db2.gz WKQGWMVXELMCHT-GXFFZTMASA-N -1 1 391.457 0.187 20 0 GCADMM CCC[C@@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821016415 606848507 /nfs/dbraw/zinc/84/85/07/606848507.db2.gz WKTZBMCWXWMWII-OLZOCXBDSA-N -1 1 394.505 0.933 20 0 GCADMM CCC[C@@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821016415 606848508 /nfs/dbraw/zinc/84/85/08/606848508.db2.gz WKTZBMCWXWMWII-OLZOCXBDSA-N -1 1 394.505 0.933 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(O)cc1O ZINC000820789125 606855092 /nfs/dbraw/zinc/85/50/92/606855092.db2.gz VXIDLNZJLSLLBB-JTQLQIEISA-N -1 1 382.384 0.419 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(O)cc1O ZINC000820789125 606855093 /nfs/dbraw/zinc/85/50/93/606855093.db2.gz VXIDLNZJLSLLBB-JTQLQIEISA-N -1 1 382.384 0.419 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1-c1nn[n-]n1 ZINC000821970226 606855613 /nfs/dbraw/zinc/85/56/13/606855613.db2.gz LVFNBQSVDJYHOT-VXGBXAGGSA-N -1 1 392.441 0.709 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822486273 606855643 /nfs/dbraw/zinc/85/56/43/606855643.db2.gz DPDXAXKHRSDBOC-SNVBAGLBSA-N -1 1 382.432 0.358 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822486273 606855644 /nfs/dbraw/zinc/85/56/44/606855644.db2.gz DPDXAXKHRSDBOC-SNVBAGLBSA-N -1 1 382.432 0.358 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](CCO)C(C)C ZINC000822459494 606861997 /nfs/dbraw/zinc/86/19/97/606861997.db2.gz QFZIISXCIJYDNO-HNNXBMFYSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](CCO)C(C)C ZINC000822459494 606861999 /nfs/dbraw/zinc/86/19/99/606861999.db2.gz QFZIISXCIJYDNO-HNNXBMFYSA-N -1 1 386.460 0.982 20 0 GCADMM CON(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000821696863 606867313 /nfs/dbraw/zinc/86/73/13/606867313.db2.gz RZRPEGWTQVSWNO-UHFFFAOYSA-N -1 1 393.201 0.964 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000819796324 606872929 /nfs/dbraw/zinc/87/29/29/606872929.db2.gz FALOJYJALKRPPH-VIFPVBQESA-N -1 1 384.849 0.761 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000819796324 606872930 /nfs/dbraw/zinc/87/29/30/606872930.db2.gz FALOJYJALKRPPH-VIFPVBQESA-N -1 1 384.849 0.761 20 0 GCADMM COC(=O)c1ccc(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)s1 ZINC000821667036 606873305 /nfs/dbraw/zinc/87/33/05/606873305.db2.gz RBWHNZRZVRAVEI-UHFFFAOYSA-N -1 1 375.366 0.711 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000819797335 606873432 /nfs/dbraw/zinc/87/34/32/606873432.db2.gz ZZKGMZFGENDZIV-SECBINFHSA-N -1 1 384.849 0.761 20 0 GCADMM O=C1OC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)CCN12 ZINC000823551506 606879217 /nfs/dbraw/zinc/87/92/17/606879217.db2.gz SYPOXRBRUJAWDU-MRVPVSSYSA-N -1 1 384.805 0.345 20 0 GCADMM O=C1OC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)CCN12 ZINC000823551506 606879219 /nfs/dbraw/zinc/87/92/19/606879219.db2.gz SYPOXRBRUJAWDU-MRVPVSSYSA-N -1 1 384.805 0.345 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC000821979759 606914854 /nfs/dbraw/zinc/91/48/54/606914854.db2.gz WGYYLYZYRKFPAG-GZMMTYOYSA-N -1 1 391.457 0.853 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1COC(=O)O1 ZINC000822459733 606945333 /nfs/dbraw/zinc/94/53/33/606945333.db2.gz URUKISPMLVUANZ-JTQLQIEISA-N -1 1 387.356 0.537 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1COC(=O)O1 ZINC000822459733 606945334 /nfs/dbraw/zinc/94/53/34/606945334.db2.gz URUKISPMLVUANZ-JTQLQIEISA-N -1 1 387.356 0.537 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2nnc(C(C)(C)C)s2)n(C)c1=O ZINC000822600082 606947469 /nfs/dbraw/zinc/94/74/69/606947469.db2.gz JNMRPEIPWYVCNA-UHFFFAOYSA-N -1 1 377.434 0.025 20 0 GCADMM CCC1(CC)[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1OC ZINC000820956686 607033231 /nfs/dbraw/zinc/03/32/31/607033231.db2.gz JVIFYHFCPRUNRJ-MNOVXSKESA-N -1 1 377.449 0.294 20 0 GCADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820236060 607041584 /nfs/dbraw/zinc/04/15/84/607041584.db2.gz WNKNSSZQCQVLHK-JOYOIKCWSA-N -1 1 389.391 0.327 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NOCC(F)(F)F ZINC000820788371 607065051 /nfs/dbraw/zinc/06/50/51/607065051.db2.gz FJSFVPUFZPLDJH-MRVPVSSYSA-N -1 1 387.326 0.371 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NOCC(F)(F)F ZINC000820788371 607065053 /nfs/dbraw/zinc/06/50/53/607065053.db2.gz FJSFVPUFZPLDJH-MRVPVSSYSA-N -1 1 387.326 0.371 20 0 GCADMM COCC(COC)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821682577 607092712 /nfs/dbraw/zinc/09/27/12/607092712.db2.gz JDYKDMLJPHJOBW-UHFFFAOYSA-N -1 1 389.416 0.663 20 0 GCADMM COCC(COC)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821682577 607092714 /nfs/dbraw/zinc/09/27/14/607092714.db2.gz JDYKDMLJPHJOBW-UHFFFAOYSA-N -1 1 389.416 0.663 20 0 GCADMM C[C@H]1CO[C@H](CO)CN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820804437 607103234 /nfs/dbraw/zinc/10/32/34/607103234.db2.gz SIZWHTFPFHAUTJ-JSGCOSHPSA-N -1 1 398.427 0.073 20 0 GCADMM C[C@H]1CO[C@H](CO)CN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820804437 607103235 /nfs/dbraw/zinc/10/32/35/607103235.db2.gz SIZWHTFPFHAUTJ-JSGCOSHPSA-N -1 1 398.427 0.073 20 0 GCADMM COc1ccc(C(=O)NCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1OC ZINC000821769500 607104856 /nfs/dbraw/zinc/10/48/56/607104856.db2.gz IGJVYHBJBPAYEO-UHFFFAOYSA-N -1 1 389.397 0.709 20 0 GCADMM COc1ccc(C(=O)NCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1OC ZINC000821769500 607104858 /nfs/dbraw/zinc/10/48/58/607104858.db2.gz IGJVYHBJBPAYEO-UHFFFAOYSA-N -1 1 389.397 0.709 20 0 GCADMM CNS(=O)(=O)c1ccc(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821637596 607104922 /nfs/dbraw/zinc/10/49/22/607104922.db2.gz MJRAFDBURLANGH-UHFFFAOYSA-N -1 1 393.454 0.803 20 0 GCADMM CNS(=O)(=O)c1ccc(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821637596 607104924 /nfs/dbraw/zinc/10/49/24/607104924.db2.gz MJRAFDBURLANGH-UHFFFAOYSA-N -1 1 393.454 0.803 20 0 GCADMM CNS(=O)(=O)c1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)ccc1OC ZINC000821637348 607108247 /nfs/dbraw/zinc/10/82/47/607108247.db2.gz CBRULKPGEDFTQM-UHFFFAOYSA-N -1 1 395.426 0.492 20 0 GCADMM CNS(=O)(=O)c1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)ccc1OC ZINC000821637348 607108249 /nfs/dbraw/zinc/10/82/49/607108249.db2.gz CBRULKPGEDFTQM-UHFFFAOYSA-N -1 1 395.426 0.492 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821138937 607109464 /nfs/dbraw/zinc/10/94/64/607109464.db2.gz LJQWFHANBHWMDR-SECBINFHSA-N -1 1 385.475 0.856 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821138937 607109466 /nfs/dbraw/zinc/10/94/66/607109466.db2.gz LJQWFHANBHWMDR-SECBINFHSA-N -1 1 385.475 0.856 20 0 GCADMM CCOC(Cn1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nn1)OCC ZINC000821352213 607109473 /nfs/dbraw/zinc/10/94/73/607109473.db2.gz ZKAIFEJVJOBLBA-UHFFFAOYSA-N -1 1 379.406 0.566 20 0 GCADMM CCOC(Cn1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nn1)OCC ZINC000821352213 607109474 /nfs/dbraw/zinc/10/94/74/607109474.db2.gz ZKAIFEJVJOBLBA-UHFFFAOYSA-N -1 1 379.406 0.566 20 0 GCADMM C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H](c2ccsc2)O1 ZINC000820766698 607116016 /nfs/dbraw/zinc/11/60/16/607116016.db2.gz CJACVXIRHKLLPA-ONGXEEELSA-N -1 1 389.441 0.292 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1-n1cccn1 ZINC000820450239 607118104 /nfs/dbraw/zinc/11/81/04/607118104.db2.gz IDHUPRBVEZEVQW-NSHDSACASA-N -1 1 393.411 0.623 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCCCC3)C2)n(C)c1=O ZINC000822600980 607131312 /nfs/dbraw/zinc/13/13/12/607131312.db2.gz RUTFTDIGOCPUEZ-NSHDSACASA-N -1 1 375.433 0.558 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000822535646 607138185 /nfs/dbraw/zinc/13/81/85/607138185.db2.gz ZGCMUQWOXNUWNY-WDEREUQCSA-N -1 1 385.384 0.322 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000822535646 607138186 /nfs/dbraw/zinc/13/81/86/607138186.db2.gz ZGCMUQWOXNUWNY-WDEREUQCSA-N -1 1 385.384 0.322 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H]1COC(C)(C)O1 ZINC000822005115 607143974 /nfs/dbraw/zinc/14/39/74/607143974.db2.gz OOPIOOOQBGFBCU-LLVKDONJSA-N -1 1 376.417 0.784 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000822902621 607147078 /nfs/dbraw/zinc/14/70/78/607147078.db2.gz DGVVKOYHBJNIBD-UHFFFAOYSA-N -1 1 395.427 0.415 20 0 GCADMM Cc1oc(NC(=O)CN2CCOC3(CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822548293 607150761 /nfs/dbraw/zinc/15/07/61/607150761.db2.gz HLPXIGKRTHOYOM-UHFFFAOYSA-N -1 1 376.417 0.896 20 0 GCADMM CCOC(=O)[C@@H](C)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736584573 607157295 /nfs/dbraw/zinc/15/72/95/607157295.db2.gz IHRHBSHHLBMQAM-LLVKDONJSA-N -1 1 387.400 0.954 20 0 GCADMM CCOC(=O)[C@@H](C)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736584573 607157297 /nfs/dbraw/zinc/15/72/97/607157297.db2.gz IHRHBSHHLBMQAM-LLVKDONJSA-N -1 1 387.400 0.954 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCCc1cccc2cccnc21 ZINC000823123098 607173058 /nfs/dbraw/zinc/17/30/58/607173058.db2.gz NPJZXYMICPURBI-UHFFFAOYSA-N -1 1 375.392 0.936 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000822005402 607187723 /nfs/dbraw/zinc/18/77/23/607187723.db2.gz QVEQAORFRLUJHG-SKDRFNHKSA-N -1 1 376.417 0.125 20 0 GCADMM CCOc1ccccc1N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821438338 607205329 /nfs/dbraw/zinc/20/53/29/607205329.db2.gz ZQIMORAGNVEYDO-UHFFFAOYSA-N -1 1 383.416 0.206 20 0 GCADMM Cn1ccnc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000822694150 607206021 /nfs/dbraw/zinc/20/60/21/607206021.db2.gz XCPIWOAUWVWZMO-CYBMUJFWSA-N -1 1 398.818 0.751 20 0 GCADMM CNC(=O)c1ccc(CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000821634932 607206297 /nfs/dbraw/zinc/20/62/97/607206297.db2.gz BSBJVEGUFOWRBL-UHFFFAOYSA-N -1 1 381.400 0.009 20 0 GCADMM Cn1ccnc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC000822693432 607206611 /nfs/dbraw/zinc/20/66/11/607206611.db2.gz DLDGOJHCFHARLZ-CYBMUJFWSA-N -1 1 382.363 0.237 20 0 GCADMM Cn1ccnc1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC000822693433 607206726 /nfs/dbraw/zinc/20/67/26/607206726.db2.gz DLDGOJHCFHARLZ-ZDUSSCGKSA-N -1 1 382.363 0.237 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000823136400 607206854 /nfs/dbraw/zinc/20/68/54/607206854.db2.gz ZAVHJONELJRGTM-UHFFFAOYSA-N -1 1 381.400 0.723 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000823127268 607207751 /nfs/dbraw/zinc/20/77/51/607207751.db2.gz YGKLVTXBOBDTTD-UHFFFAOYSA-N -1 1 396.440 0.417 20 0 GCADMM C[C@H](Cc1ccc(Br)cc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820292400 607208138 /nfs/dbraw/zinc/20/81/38/607208138.db2.gz FFDCXKAWEVUEHB-SECBINFHSA-N -1 1 391.233 0.968 20 0 GCADMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820292401 607208158 /nfs/dbraw/zinc/20/81/58/607208158.db2.gz FFDCXKAWEVUEHB-VIFPVBQESA-N -1 1 391.233 0.968 20 0 GCADMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821600586 607209038 /nfs/dbraw/zinc/20/90/38/607209038.db2.gz UEKKQMBQWKDYPV-UHFFFAOYSA-N -1 1 392.427 0.940 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1OCC(F)(F)F ZINC000823131688 607209989 /nfs/dbraw/zinc/20/99/89/607209989.db2.gz LZKWCCBKUPRUID-UHFFFAOYSA-N -1 1 382.306 0.716 20 0 GCADMM CN(C)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC000821579920 607210202 /nfs/dbraw/zinc/21/02/02/607210202.db2.gz SCFIGZYCTKTPTF-UHFFFAOYSA-N -1 1 375.780 0.452 20 0 GCADMM CN(Cc1csc(Br)c1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821616933 607210229 /nfs/dbraw/zinc/21/02/29/607210229.db2.gz OSRFYYBKBWTKNP-UHFFFAOYSA-N -1 1 383.235 0.941 20 0 GCADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC[C@@H]2CCCO2)c1 ZINC000822248618 607210423 /nfs/dbraw/zinc/21/04/23/607210423.db2.gz HFEBPGPHNNCEEW-LBPRGKRZSA-N -1 1 384.400 0.963 20 0 GCADMM Cc1nccn1-c1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F ZINC000822478091 607210649 /nfs/dbraw/zinc/21/06/49/607210649.db2.gz QJPLHJARWRWMDE-UHFFFAOYSA-N -1 1 382.363 0.408 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(N2CCOC2=O)c1 ZINC000820333988 607210990 /nfs/dbraw/zinc/21/09/90/607210990.db2.gz IHVDGCYLKWNGCY-JTQLQIEISA-N -1 1 383.372 0.292 20 0 GCADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821015157 607211998 /nfs/dbraw/zinc/21/19/98/607211998.db2.gz OMZZMJNSSMBUHH-RYUDHWBXSA-N -1 1 375.437 0.002 20 0 GCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000821572253 607212318 /nfs/dbraw/zinc/21/23/18/607212318.db2.gz XMJQLFVTSVSIHD-OAHLLOKOSA-N -1 1 396.390 0.579 20 0 GCADMM COc1ccc(Br)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821770191 607212747 /nfs/dbraw/zinc/21/27/47/607212747.db2.gz QJOLWMIEHSBNLD-UHFFFAOYSA-N -1 1 379.178 0.868 20 0 GCADMM COc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Br ZINC000821798764 607212649 /nfs/dbraw/zinc/21/26/49/607212649.db2.gz MUUXYPNJWOPBOV-UHFFFAOYSA-N -1 1 393.205 0.546 20 0 GCADMM O=C(CC1CCCCC1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000822940850 607212724 /nfs/dbraw/zinc/21/27/24/607212724.db2.gz HDKHDBJFSSUDBC-UHFFFAOYSA-N -1 1 387.448 0.099 20 0 GCADMM COc1ccc(C2(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CCOCC2)cc1 ZINC000821782637 607212803 /nfs/dbraw/zinc/21/28/03/607212803.db2.gz ISPAXYRLQDXRAU-UHFFFAOYSA-N -1 1 384.400 0.289 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000823126365 607213318 /nfs/dbraw/zinc/21/33/18/607213318.db2.gz JDRXGRRYZFHNIZ-UHFFFAOYSA-N -1 1 397.399 0.192 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000823136342 607213321 /nfs/dbraw/zinc/21/33/21/607213321.db2.gz WZJFUKUCSIOKAS-UHFFFAOYSA-N -1 1 377.372 0.759 20 0 GCADMM CCOCCCn1c2ccccc2nc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821378823 607213612 /nfs/dbraw/zinc/21/36/12/607213612.db2.gz USJDBYVLTGBBBD-UHFFFAOYSA-N -1 1 396.415 0.873 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000823125687 607213771 /nfs/dbraw/zinc/21/37/71/607213771.db2.gz AXAKDPGWDQMXOM-GFCCVEGCSA-N -1 1 376.327 0.337 20 0 GCADMM COC(=O)c1sc2ccccc2c1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821670978 607214211 /nfs/dbraw/zinc/21/42/11/607214211.db2.gz AJVNGPYQLHNTHE-UHFFFAOYSA-N -1 1 398.408 0.776 20 0 GCADMM COc1cccc([C@@H](C)N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000821859498 607214720 /nfs/dbraw/zinc/21/47/20/607214720.db2.gz PAAVYRAJLWIGCG-CYBMUJFWSA-N -1 1 397.443 0.372 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nnc(Cc2ccccc2F)s1 ZINC000823136267 607215803 /nfs/dbraw/zinc/21/58/03/607215803.db2.gz RKHUTJURFQRVEI-UHFFFAOYSA-N -1 1 386.376 0.678 20 0 GCADMM CCc1ccc2c(c1)[C@H](CCNC(=O)Cn1cnc(-c3nn[n-]n3)n1)C(=O)N2 ZINC000821486808 607215992 /nfs/dbraw/zinc/21/59/92/607215992.db2.gz MJNOYLXTMYNATH-NSHDSACASA-N -1 1 381.400 0.263 20 0 GCADMM COc1cc(F)c([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC000821719727 607217708 /nfs/dbraw/zinc/21/77/08/607217708.db2.gz IMCCMIACBBQKLG-MRVPVSSYSA-N -1 1 376.352 0.492 20 0 GCADMM COC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000821682826 607218033 /nfs/dbraw/zinc/21/80/33/607218033.db2.gz OKFFMCHCIISOEP-NSHDSACASA-N -1 1 396.333 0.981 20 0 GCADMM CCCS(=O)(=O)Nc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821138897 607218142 /nfs/dbraw/zinc/21/81/42/607218142.db2.gz JQABGDJDELKWSG-UHFFFAOYSA-N -1 1 391.417 0.249 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2cccc(Br)c2C1 ZINC000823126918 607218463 /nfs/dbraw/zinc/21/84/63/607218463.db2.gz NRXLABNBMRMFCO-UHFFFAOYSA-N -1 1 389.217 0.806 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000823127101 607218999 /nfs/dbraw/zinc/21/89/99/607218999.db2.gz STZSYYXFTYCMAW-UHFFFAOYSA-N -1 1 395.427 0.127 20 0 GCADMM COc1ccc(C[C@H]2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)cc1 ZINC000821791035 607219539 /nfs/dbraw/zinc/21/95/39/607219539.db2.gz ZOBSXXFEKMPHQI-CQSZACIVSA-N -1 1 382.428 0.948 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000823136350 607219880 /nfs/dbraw/zinc/21/98/80/607219880.db2.gz XHJJVFXCOPRFGR-UHFFFAOYSA-N -1 1 396.350 0.089 20 0 GCADMM CC(C)(C)OC(=O)Cc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000819928423 607219927 /nfs/dbraw/zinc/21/99/27/607219927.db2.gz OTTDVZLWWXLHHO-UHFFFAOYSA-N -1 1 384.400 0.981 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000823126054 607221341 /nfs/dbraw/zinc/22/13/41/607221341.db2.gz GOGLVAAYDPSYLV-ZDUSSCGKSA-N -1 1 382.306 0.025 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1nccn1CCCc1ccccc1 ZINC000823131081 607222437 /nfs/dbraw/zinc/22/24/37/607222437.db2.gz BXGOUDNDEGXPHC-UHFFFAOYSA-N -1 1 392.427 0.604 20 0 GCADMM CCOC(=O)c1sc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc1C ZINC000821346953 607222756 /nfs/dbraw/zinc/22/27/56/607222756.db2.gz RYQGLQYXJSISIR-QMMMGPOBSA-N -1 1 391.417 0.277 20 0 GCADMM CCS[C@H](C)c1noc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000821448191 607224265 /nfs/dbraw/zinc/22/42/65/607224265.db2.gz MAAINAUFWWDQQR-MRVPVSSYSA-N -1 1 378.422 0.314 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000823125708 607224326 /nfs/dbraw/zinc/22/43/26/607224326.db2.gz BSPKHWHKNLDNLD-JTQLQIEISA-N -1 1 382.306 0.327 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000823127212 607224637 /nfs/dbraw/zinc/22/46/37/607224637.db2.gz WQVRLFBCPRLOHC-VIFPVBQESA-N -1 1 383.199 0.615 20 0 GCADMM CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735632428 607236122 /nfs/dbraw/zinc/23/61/22/607236122.db2.gz COFZQQPAGRRQAX-JTQLQIEISA-N -1 1 395.445 0.549 20 0 GCADMM CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735632428 607236123 /nfs/dbraw/zinc/23/61/23/607236123.db2.gz COFZQQPAGRRQAX-JTQLQIEISA-N -1 1 395.445 0.549 20 0 GCADMM Cc1nn(C)c(C)c1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC000822487070 607239295 /nfs/dbraw/zinc/23/92/95/607239295.db2.gz ZVXLLDCOQRIMIQ-JTQLQIEISA-N -1 1 384.326 0.228 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000825000014 607807512 /nfs/dbraw/zinc/80/75/12/607807512.db2.gz MRDSWYAOVUQHDX-JHJVBQTASA-N -1 1 387.448 0.180 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000825000014 607807513 /nfs/dbraw/zinc/80/75/13/607807513.db2.gz MRDSWYAOVUQHDX-JHJVBQTASA-N -1 1 387.448 0.180 20 0 GCADMM O=S(=O)(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487065 607818968 /nfs/dbraw/zinc/81/89/68/607818968.db2.gz BYPQYJWUHSGXNF-SWLSCSKDSA-N -1 1 390.425 0.025 20 0 GCADMM O=S(=O)(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487065 607818969 /nfs/dbraw/zinc/81/89/69/607818969.db2.gz BYPQYJWUHSGXNF-SWLSCSKDSA-N -1 1 390.425 0.025 20 0 GCADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488802 607853231 /nfs/dbraw/zinc/85/32/31/607853231.db2.gz ZJKBCLPJPFUJQL-BNOWGMLFSA-N -1 1 376.442 0.888 20 0 GCADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488802 607853232 /nfs/dbraw/zinc/85/32/32/607853232.db2.gz ZJKBCLPJPFUJQL-BNOWGMLFSA-N -1 1 376.442 0.888 20 0 GCADMM CCN(C(=O)COc1cccc(F)c1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000825371763 607866045 /nfs/dbraw/zinc/86/60/45/607866045.db2.gz KRUFLQQDNQDFSZ-JTQLQIEISA-N -1 1 383.405 0.420 20 0 GCADMM CCN(C(=O)COc1cccc(F)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000825371763 607866046 /nfs/dbraw/zinc/86/60/46/607866046.db2.gz KRUFLQQDNQDFSZ-JTQLQIEISA-N -1 1 383.405 0.420 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@]3(CCOC3)C2=O)c1-c1nn[n-]n1 ZINC000826331846 607894238 /nfs/dbraw/zinc/89/42/38/607894238.db2.gz AHWOZUWBLQUNIB-GOSISDBHSA-N -1 1 394.395 0.572 20 0 GCADMM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489432 607906617 /nfs/dbraw/zinc/90/66/17/607906617.db2.gz PIPDMDPJCMVGLD-JTQLQIEISA-N -1 1 381.389 0.728 20 0 GCADMM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826068421 607907948 /nfs/dbraw/zinc/90/79/48/607907948.db2.gz SPEOZCYHQYJHEB-JTQLQIEISA-N -1 1 386.865 0.959 20 0 GCADMM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826068421 607907949 /nfs/dbraw/zinc/90/79/49/607907949.db2.gz SPEOZCYHQYJHEB-JTQLQIEISA-N -1 1 386.865 0.959 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(-c3nn[nH]n3)ccc2F)co1 ZINC000826091002 607919154 /nfs/dbraw/zinc/91/91/54/607919154.db2.gz ULUFQHNLQVCRJA-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM CS(=O)(=O)CC1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC000826222288 607926617 /nfs/dbraw/zinc/92/66/17/607926617.db2.gz QOXIYBAKZYXNEA-UHFFFAOYSA-N -1 1 386.455 0.926 20 0 GCADMM CS(=O)(=O)CC1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC000826222288 607926618 /nfs/dbraw/zinc/92/66/18/607926618.db2.gz QOXIYBAKZYXNEA-UHFFFAOYSA-N -1 1 386.455 0.926 20 0 GCADMM CS(=O)(=O)CC1(COC(=O)c2sccc2-c2nn[n-]n2)CCOCC1 ZINC000826221946 607926881 /nfs/dbraw/zinc/92/68/81/607926881.db2.gz BRYQQKCKMPWAEW-UHFFFAOYSA-N -1 1 386.455 0.926 20 0 GCADMM CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000823980746 607927127 /nfs/dbraw/zinc/92/71/27/607927127.db2.gz HCEZDRCXHQHIKF-JSGCOSHPSA-N -1 1 399.459 0.095 20 0 GCADMM CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000823980746 607927128 /nfs/dbraw/zinc/92/71/28/607927128.db2.gz HCEZDRCXHQHIKF-JSGCOSHPSA-N -1 1 399.459 0.095 20 0 GCADMM Cn1c(=O)ccn(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)c1=O ZINC000826354819 607929771 /nfs/dbraw/zinc/92/97/71/607929771.db2.gz WKPHGSCFKOEJJV-UHFFFAOYSA-N -1 1 389.441 0.725 20 0 GCADMM Cn1c(=O)ccn(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)c1=O ZINC000826354819 607929772 /nfs/dbraw/zinc/92/97/72/607929772.db2.gz WKPHGSCFKOEJJV-UHFFFAOYSA-N -1 1 389.441 0.725 20 0 GCADMM Cn1c(=O)cccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826354926 607933052 /nfs/dbraw/zinc/93/30/52/607933052.db2.gz BTLQPXOKOOYJTN-UHFFFAOYSA-N -1 1 396.411 0.393 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825659681 607937466 /nfs/dbraw/zinc/93/74/66/607937466.db2.gz YZUFTAYJCMWUMS-MRVPVSSYSA-N -1 1 377.423 0.107 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825659681 607937467 /nfs/dbraw/zinc/93/74/67/607937467.db2.gz YZUFTAYJCMWUMS-MRVPVSSYSA-N -1 1 377.423 0.107 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cn[nH]c1 ZINC000824492067 607940645 /nfs/dbraw/zinc/94/06/45/607940645.db2.gz XLUAVSLJJYSMTB-QWRGUYRKSA-N -1 1 383.420 0.361 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cn[nH]c1 ZINC000824492067 607940646 /nfs/dbraw/zinc/94/06/46/607940646.db2.gz XLUAVSLJJYSMTB-QWRGUYRKSA-N -1 1 383.420 0.361 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ncn1 ZINC000826258614 607972374 /nfs/dbraw/zinc/97/23/74/607972374.db2.gz PNVLDESLALVXSR-UHFFFAOYSA-N -1 1 381.400 0.793 20 0 GCADMM COC(=O)[C@@]1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCSC1 ZINC000826125037 607973579 /nfs/dbraw/zinc/97/35/79/607973579.db2.gz ZQWBPBZYCLAYKE-CYBMUJFWSA-N -1 1 387.418 0.333 20 0 GCADMM COC(=O)[C@@]1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCSC1 ZINC000826125037 607973580 /nfs/dbraw/zinc/97/35/80/607973580.db2.gz ZQWBPBZYCLAYKE-CYBMUJFWSA-N -1 1 387.418 0.333 20 0 GCADMM C[C@@H](Oc1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1)C(N)=O ZINC000824744639 607973748 /nfs/dbraw/zinc/97/37/48/607973748.db2.gz CPQLCQNKGWUNCQ-SNVBAGLBSA-N -1 1 389.393 0.887 20 0 GCADMM Cc1c(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cnn1C ZINC000826236195 607981249 /nfs/dbraw/zinc/98/12/49/607981249.db2.gz BILXBTGJYXUFFH-NSHDSACASA-N -1 1 397.447 0.119 20 0 GCADMM Cc1c(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cnn1C ZINC000826236195 607981250 /nfs/dbraw/zinc/98/12/50/607981250.db2.gz BILXBTGJYXUFFH-NSHDSACASA-N -1 1 397.447 0.119 20 0 GCADMM Cc1c(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cnn1C ZINC000826236194 607981358 /nfs/dbraw/zinc/98/13/58/607981358.db2.gz BILXBTGJYXUFFH-LLVKDONJSA-N -1 1 397.447 0.119 20 0 GCADMM Cc1c(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cnn1C ZINC000826236194 607981359 /nfs/dbraw/zinc/98/13/59/607981359.db2.gz BILXBTGJYXUFFH-LLVKDONJSA-N -1 1 397.447 0.119 20 0 GCADMM Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826272381 607997021 /nfs/dbraw/zinc/99/70/21/607997021.db2.gz GOAYCRNYXVXITB-UHFFFAOYSA-N -1 1 380.411 0.842 20 0 GCADMM Cn1cc([C@H]2[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CCC(=O)N2C)cn1 ZINC000826010976 607997317 /nfs/dbraw/zinc/99/73/17/607997317.db2.gz SBMLJGBKLXHGPB-LRDDRELGSA-N -1 1 396.411 0.854 20 0 GCADMM Cn1cc([C@@H]2[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CCC(=O)N2C)cn1 ZINC000826010975 607997483 /nfs/dbraw/zinc/99/74/83/607997483.db2.gz SBMLJGBKLXHGPB-BLLLJJGKSA-N -1 1 396.411 0.854 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826450891 607998234 /nfs/dbraw/zinc/99/82/34/607998234.db2.gz HWGQSOKFINEXCF-CQSZACIVSA-N -1 1 387.381 0.241 20 0 GCADMM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825888950 608000810 /nfs/dbraw/zinc/00/08/10/608000810.db2.gz ZTNSSIDXUAKIBT-UHFFFAOYSA-N -1 1 384.849 0.939 20 0 GCADMM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825888950 608000811 /nfs/dbraw/zinc/00/08/11/608000811.db2.gz ZTNSSIDXUAKIBT-UHFFFAOYSA-N -1 1 384.849 0.939 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826494821 608001394 /nfs/dbraw/zinc/00/13/94/608001394.db2.gz QPCRWSFPPDODTA-GFCCVEGCSA-N -1 1 398.876 0.615 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000826425501 608006399 /nfs/dbraw/zinc/00/63/99/608006399.db2.gz HBTOTATXPPBCML-UHFFFAOYSA-N -1 1 388.355 0.226 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000826457174 608013581 /nfs/dbraw/zinc/01/35/81/608013581.db2.gz OMBBHDCGCBUVMG-UHFFFAOYSA-N -1 1 380.412 0.941 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000826457174 608013582 /nfs/dbraw/zinc/01/35/82/608013582.db2.gz OMBBHDCGCBUVMG-UHFFFAOYSA-N -1 1 380.412 0.941 20 0 GCADMM O=S1(=O)CC[C@H](N(Cc2ccnc(-c3nnn[n-]3)c2)C[C@H]2CCCO2)C1 ZINC000826497099 608037703 /nfs/dbraw/zinc/03/77/03/608037703.db2.gz UNDPOMXMYYPVPH-UONOGXRCSA-N -1 1 378.458 0.430 20 0 GCADMM O=S1(=O)CC[C@H](N(Cc2ccnc(-c3nn[n-]n3)c2)C[C@H]2CCCO2)C1 ZINC000826497099 608037704 /nfs/dbraw/zinc/03/77/04/608037704.db2.gz UNDPOMXMYYPVPH-UONOGXRCSA-N -1 1 378.458 0.430 20 0 GCADMM C[C@@H]1CC(=O)NCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000824866897 608041308 /nfs/dbraw/zinc/04/13/08/608041308.db2.gz ODGRWKOGUODUEX-GFCCVEGCSA-N -1 1 395.427 0.201 20 0 GCADMM C[C@@H]1CC(=O)NCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824866897 608041309 /nfs/dbraw/zinc/04/13/09/608041309.db2.gz ODGRWKOGUODUEX-GFCCVEGCSA-N -1 1 395.427 0.201 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCC[C@H]3C(F)F)CC2)o1 ZINC000826322818 608044913 /nfs/dbraw/zinc/04/49/13/608044913.db2.gz CPVPOTOMHAUPRM-NSHDSACASA-N -1 1 396.402 0.541 20 0 GCADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000826104583 608057175 /nfs/dbraw/zinc/05/71/75/608057175.db2.gz ZMAOZVVRXRFJPR-QMMMGPOBSA-N -1 1 379.320 0.481 20 0 GCADMM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826103825 608057265 /nfs/dbraw/zinc/05/72/65/608057265.db2.gz LQPHEZAOAXGTJE-ZETCQYMHSA-N -1 1 395.775 0.995 20 0 GCADMM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826103825 608057266 /nfs/dbraw/zinc/05/72/66/608057266.db2.gz LQPHEZAOAXGTJE-ZETCQYMHSA-N -1 1 395.775 0.995 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000826356743 608073463 /nfs/dbraw/zinc/07/34/63/608073463.db2.gz DFZZYFDRJXNYPB-AWEZNQCLSA-N -1 1 395.427 0.913 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000826356743 608073464 /nfs/dbraw/zinc/07/34/64/608073464.db2.gz DFZZYFDRJXNYPB-AWEZNQCLSA-N -1 1 395.427 0.913 20 0 GCADMM CNc1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000826089908 608078558 /nfs/dbraw/zinc/07/85/58/608078558.db2.gz ACRSUKKUPXINMM-SECBINFHSA-N -1 1 386.445 0.506 20 0 GCADMM CNc1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000826089908 608078559 /nfs/dbraw/zinc/07/85/59/608078559.db2.gz ACRSUKKUPXINMM-SECBINFHSA-N -1 1 386.445 0.506 20 0 GCADMM COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826187707 608087735 /nfs/dbraw/zinc/08/77/35/608087735.db2.gz BZLJIUGWHDJCGR-KBXCAEBGSA-N -1 1 398.427 0.366 20 0 GCADMM O=C(CN1CCOC[C@@H]1CCO)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826411315 608088119 /nfs/dbraw/zinc/08/81/19/608088119.db2.gz UMHMXOZLDGFIBR-AWEZNQCLSA-N -1 1 398.427 0.074 20 0 GCADMM O=C(CN1CCOC[C@@H]1CCO)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826411315 608088120 /nfs/dbraw/zinc/08/81/20/608088120.db2.gz UMHMXOZLDGFIBR-AWEZNQCLSA-N -1 1 398.427 0.074 20 0 GCADMM Cc1c(Br)cccc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826234471 608095784 /nfs/dbraw/zinc/09/57/84/608095784.db2.gz YETBQCXSMOWGCJ-UHFFFAOYSA-N -1 1 377.202 0.846 20 0 GCADMM Cc1ccccc1Cc1nc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)no1 ZINC000826307326 608096020 /nfs/dbraw/zinc/09/60/20/608096020.db2.gz DAAIBNNYBNTGDL-UHFFFAOYSA-N -1 1 380.368 0.058 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(F)ccc2Br)c1=O ZINC000826357227 608096155 /nfs/dbraw/zinc/09/61/55/608096155.db2.gz WRWJDZPPAYIZMF-UHFFFAOYSA-N -1 1 381.165 0.677 20 0 GCADMM CC(C)[C@H](CNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)c1ccccc1 ZINC000824192928 608096191 /nfs/dbraw/zinc/09/61/91/608096191.db2.gz OYSXMCDVORXULL-AWEZNQCLSA-N -1 1 397.439 0.283 20 0 GCADMM Cc1cc(=O)oc2cc(OCCn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)ccc12 ZINC000826256550 608096471 /nfs/dbraw/zinc/09/64/71/608096471.db2.gz OZZPWLICEAGXLB-UHFFFAOYSA-N -1 1 396.363 0.221 20 0 GCADMM C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825020478 608114651 /nfs/dbraw/zinc/11/46/51/608114651.db2.gz KDRWROQAUXISOO-CMPLNLGQSA-N -1 1 388.432 0.741 20 0 GCADMM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824450736 608124825 /nfs/dbraw/zinc/12/48/25/608124825.db2.gz ZBAMMEFUJDEIKO-JHNRLJBESA-N -1 1 397.404 0.931 20 0 GCADMM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824450735 608124949 /nfs/dbraw/zinc/12/49/49/608124949.db2.gz ZBAMMEFUJDEIKO-FZTITHCBSA-N -1 1 397.404 0.931 20 0 GCADMM CCOCCOCc1cccc(CNC(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000825598776 608148422 /nfs/dbraw/zinc/14/84/22/608148422.db2.gz BTCZALSSQRYKMN-UHFFFAOYSA-N -1 1 385.428 0.933 20 0 GCADMM CCOCCOCc1cccc(CNC(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000825598776 608148423 /nfs/dbraw/zinc/14/84/23/608148423.db2.gz BTCZALSSQRYKMN-UHFFFAOYSA-N -1 1 385.428 0.933 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488843 608159625 /nfs/dbraw/zinc/15/96/25/608159625.db2.gz AFANLUGJBRAATQ-NHYWBVRUSA-N -1 1 383.405 0.622 20 0 GCADMM CCOC[C@H](C(=O)OC)N(C)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825583496 608166565 /nfs/dbraw/zinc/16/65/65/608166565.db2.gz UXYQYKMTLFQSJT-LLVKDONJSA-N -1 1 380.405 0.525 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](CO)CC1CC1 ZINC000826328590 608172777 /nfs/dbraw/zinc/17/27/77/608172777.db2.gz WPGKHVHYWSYYLP-ZDUSSCGKSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](CO)CC1CC1 ZINC000826328590 608172778 /nfs/dbraw/zinc/17/27/78/608172778.db2.gz WPGKHVHYWSYYLP-ZDUSSCGKSA-N -1 1 384.444 0.736 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCC1=O ZINC000824865791 608180071 /nfs/dbraw/zinc/18/00/71/608180071.db2.gz JOUXFRLLLFNAHO-UPJWGTAASA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCC1=O ZINC000824865791 608180073 /nfs/dbraw/zinc/18/00/73/608180073.db2.gz JOUXFRLLLFNAHO-UPJWGTAASA-N -1 1 384.444 0.699 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCCC3(C2)OCCO3)cc1-c1nn[n-]n1 ZINC000826229837 608195470 /nfs/dbraw/zinc/19/54/70/608195470.db2.gz TWTCYRNIVOUVFW-UHFFFAOYSA-N -1 1 378.414 0.668 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H](O)c1ccccc1 ZINC000820774524 608202109 /nfs/dbraw/zinc/20/21/09/608202109.db2.gz FFEOTRVQUZLHJK-IUODEOHRSA-N -1 1 380.412 0.427 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H](O)c1ccccc1 ZINC000820774524 608202112 /nfs/dbraw/zinc/20/21/12/608202112.db2.gz FFEOTRVQUZLHJK-IUODEOHRSA-N -1 1 380.412 0.427 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824505831 608211126 /nfs/dbraw/zinc/21/11/26/608211126.db2.gz IBPMZUVRYQUHKM-SECBINFHSA-N -1 1 393.452 0.476 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824505831 608211127 /nfs/dbraw/zinc/21/11/27/608211127.db2.gz IBPMZUVRYQUHKM-SECBINFHSA-N -1 1 393.452 0.476 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000825934647 608211272 /nfs/dbraw/zinc/21/12/72/608211272.db2.gz PIJWKHHLUUXNPX-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSCc1cccnc1 ZINC000825929843 608211589 /nfs/dbraw/zinc/21/15/89/608211589.db2.gz LZKLDQXXDXBXMR-UHFFFAOYSA-N -1 1 387.473 0.891 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSCc1cccnc1 ZINC000825929843 608211590 /nfs/dbraw/zinc/21/15/90/608211590.db2.gz LZKLDQXXDXBXMR-UHFFFAOYSA-N -1 1 387.473 0.891 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COc1ccc(F)cc1F ZINC000825930172 608211644 /nfs/dbraw/zinc/21/16/44/608211644.db2.gz QVRKHFFMOYJBGS-UHFFFAOYSA-N -1 1 392.370 0.920 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COc1ccc(F)cc1F ZINC000825930172 608211645 /nfs/dbraw/zinc/21/16/45/608211645.db2.gz QVRKHFFMOYJBGS-UHFFFAOYSA-N -1 1 392.370 0.920 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cn(-c2ccccc2)nn1 ZINC000825933302 608211752 /nfs/dbraw/zinc/21/17/52/608211752.db2.gz BGHODDZJGKOVRL-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cn(-c2ccccc2)nn1 ZINC000825933302 608211753 /nfs/dbraw/zinc/21/17/53/608211753.db2.gz BGHODDZJGKOVRL-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000825930364 608212669 /nfs/dbraw/zinc/21/26/69/608212669.db2.gz USLXYZTWHQNABC-UHFFFAOYSA-N -1 1 384.400 0.534 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000825930364 608212670 /nfs/dbraw/zinc/21/26/70/608212670.db2.gz USLXYZTWHQNABC-UHFFFAOYSA-N -1 1 384.400 0.534 20 0 GCADMM Cc1nn(Cc2ccc(S(=O)(=O)N(C)C)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334791 608227557 /nfs/dbraw/zinc/22/75/57/608227557.db2.gz JNEQRFJNINHWIX-UHFFFAOYSA-N -1 1 389.441 0.339 20 0 GCADMM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825247070 608239568 /nfs/dbraw/zinc/23/95/68/608239568.db2.gz AAFLRWPVLLRRLV-NSHDSACASA-N -1 1 384.849 0.809 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826425331 608250790 /nfs/dbraw/zinc/25/07/90/608250790.db2.gz YJQFWQKGJUEKAH-HNNXBMFYSA-N -1 1 379.359 0.898 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2cccnc2)CC1 ZINC000826494907 608299995 /nfs/dbraw/zinc/29/99/95/608299995.db2.gz UOXNDQXLTNZPDH-UHFFFAOYSA-N -1 1 386.441 0.163 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2cccnc2)CC1 ZINC000826494907 608299996 /nfs/dbraw/zinc/29/99/96/608299996.db2.gz UOXNDQXLTNZPDH-UHFFFAOYSA-N -1 1 386.441 0.163 20 0 GCADMM Cc1ccc(S(=O)(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000826292923 608302228 /nfs/dbraw/zinc/30/22/28/608302228.db2.gz SMNVZXIJGQTXLV-JTQLQIEISA-N -1 1 390.429 0.458 20 0 GCADMM Cc1ccc(S(=O)(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000826292923 608302230 /nfs/dbraw/zinc/30/22/30/608302230.db2.gz SMNVZXIJGQTXLV-JTQLQIEISA-N -1 1 390.429 0.458 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN(C)CCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826331940 608312095 /nfs/dbraw/zinc/31/20/95/608312095.db2.gz DYFYSWJQSLKTHX-UHFFFAOYSA-N -1 1 375.458 0.837 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCS(=O)(=O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826332328 608314775 /nfs/dbraw/zinc/31/47/75/608314775.db2.gz QKNKXLLVRBGBHI-GFCCVEGCSA-N -1 1 387.469 0.980 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCN3C(=O)OC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826332604 608317381 /nfs/dbraw/zinc/31/73/81/608317381.db2.gz ZFOSSLDJTZECOB-AWEZNQCLSA-N -1 1 380.412 0.997 20 0 GCADMM CC(C)OCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824314544 608340382 /nfs/dbraw/zinc/34/03/82/608340382.db2.gz FACNWRFEVMGFJE-UHFFFAOYSA-N -1 1 378.437 0.688 20 0 GCADMM CC(C)OCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824314544 608340384 /nfs/dbraw/zinc/34/03/84/608340384.db2.gz FACNWRFEVMGFJE-UHFFFAOYSA-N -1 1 378.437 0.688 20 0 GCADMM COc1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)ccn1 ZINC000826179456 608340645 /nfs/dbraw/zinc/34/06/45/608340645.db2.gz OXFFLXZWHHPTJX-UHFFFAOYSA-N -1 1 399.415 0.477 20 0 GCADMM COc1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)ccn1 ZINC000826179456 608340647 /nfs/dbraw/zinc/34/06/47/608340647.db2.gz OXFFLXZWHHPTJX-UHFFFAOYSA-N -1 1 399.415 0.477 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000824147359 608341199 /nfs/dbraw/zinc/34/11/99/608341199.db2.gz BNUZCUHUBUHVIA-NXEZZACHSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000824147359 608341201 /nfs/dbraw/zinc/34/12/01/608341201.db2.gz BNUZCUHUBUHVIA-NXEZZACHSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCC[C@@H](O)C2)n1 ZINC000824147386 608341633 /nfs/dbraw/zinc/34/16/33/608341633.db2.gz BNUZCUHUBUHVIA-VHSXEESVSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCC[C@@H](O)C2)n1 ZINC000824147386 608341636 /nfs/dbraw/zinc/34/16/36/608341636.db2.gz BNUZCUHUBUHVIA-VHSXEESVSA-N -1 1 376.421 0.176 20 0 GCADMM Cc1csc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)n1 ZINC000826320914 608341664 /nfs/dbraw/zinc/34/16/64/608341664.db2.gz JTPKFOPAQCYFHZ-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM Cc1csc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)n1 ZINC000826320914 608341665 /nfs/dbraw/zinc/34/16/65/608341665.db2.gz JTPKFOPAQCYFHZ-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM COC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000826147061 608342811 /nfs/dbraw/zinc/34/28/11/608342811.db2.gz MRGXFVOIRPQFQE-UHFFFAOYSA-N -1 1 376.421 0.394 20 0 GCADMM COC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000826147061 608342813 /nfs/dbraw/zinc/34/28/13/608342813.db2.gz MRGXFVOIRPQFQE-UHFFFAOYSA-N -1 1 376.421 0.394 20 0 GCADMM Cc1noc(C)c1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826339004 608351902 /nfs/dbraw/zinc/35/19/02/608351902.db2.gz OEVFXZDAJOZYMJ-UHFFFAOYSA-N -1 1 387.404 0.678 20 0 GCADMM Cc1noc(C)c1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826339004 608351904 /nfs/dbraw/zinc/35/19/04/608351904.db2.gz OEVFXZDAJOZYMJ-UHFFFAOYSA-N -1 1 387.404 0.678 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)n1 ZINC000824148335 608354171 /nfs/dbraw/zinc/35/41/71/608354171.db2.gz QVRRGFRSZHFZHO-GHMZBOCLSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)n1 ZINC000824148335 608354173 /nfs/dbraw/zinc/35/41/73/608354173.db2.gz QVRRGFRSZHFZHO-GHMZBOCLSA-N -1 1 376.421 0.176 20 0 GCADMM CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825051909 608355004 /nfs/dbraw/zinc/35/50/04/608355004.db2.gz UNVZFGCDEVAZGA-BMLIUANNSA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825051909 608355006 /nfs/dbraw/zinc/35/50/06/608355006.db2.gz UNVZFGCDEVAZGA-BMLIUANNSA-N -1 1 392.464 0.670 20 0 GCADMM COC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)C ZINC000826149543 608355183 /nfs/dbraw/zinc/35/51/83/608355183.db2.gz JWZWXCSFIPBEPE-LLVKDONJSA-N -1 1 378.437 0.544 20 0 GCADMM COC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)C ZINC000826149543 608355184 /nfs/dbraw/zinc/35/51/84/608355184.db2.gz JWZWXCSFIPBEPE-LLVKDONJSA-N -1 1 378.437 0.544 20 0 GCADMM C[C@@H](Cc1ccncc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824457248 608355959 /nfs/dbraw/zinc/35/59/59/608355959.db2.gz ICNYHPSFDQDBAS-NSHDSACASA-N -1 1 397.443 0.899 20 0 GCADMM C[C@@H](Cc1ccncc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824457248 608355961 /nfs/dbraw/zinc/35/59/61/608355961.db2.gz ICNYHPSFDQDBAS-NSHDSACASA-N -1 1 397.443 0.899 20 0 GCADMM CN(CCOCC1CC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825941731 608356429 /nfs/dbraw/zinc/35/64/29/608356429.db2.gz OKZIJLDXENVTEF-UHFFFAOYSA-N -1 1 390.448 0.642 20 0 GCADMM CN(CCOCC1CC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825941731 608356431 /nfs/dbraw/zinc/35/64/31/608356431.db2.gz OKZIJLDXENVTEF-UHFFFAOYSA-N -1 1 390.448 0.642 20 0 GCADMM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824677064 608357628 /nfs/dbraw/zinc/35/76/28/608357628.db2.gz AOZWLHNJSPCRJA-QWRGUYRKSA-N -1 1 390.448 0.376 20 0 GCADMM C[C@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824677064 608357630 /nfs/dbraw/zinc/35/76/30/608357630.db2.gz AOZWLHNJSPCRJA-QWRGUYRKSA-N -1 1 390.448 0.376 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)n1 ZINC000824148266 608357913 /nfs/dbraw/zinc/35/79/13/608357913.db2.gz QLJSQHITPBCULR-SNVBAGLBSA-N -1 1 398.431 0.154 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000826424906 608385882 /nfs/dbraw/zinc/38/58/82/608385882.db2.gz HXRYHUDWZGEBQN-MRXNPFEDSA-N -1 1 388.819 0.318 20 0 GCADMM NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826389474 608393982 /nfs/dbraw/zinc/39/39/82/608393982.db2.gz ZFWHNKBHRQOLJY-HNNXBMFYSA-N -1 1 399.846 0.659 20 0 GCADMM NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826389474 608393983 /nfs/dbraw/zinc/39/39/83/608393983.db2.gz ZFWHNKBHRQOLJY-HNNXBMFYSA-N -1 1 399.846 0.659 20 0 GCADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824044931 608399228 /nfs/dbraw/zinc/39/92/28/608399228.db2.gz BENUQOQJODYMIT-LBPRGKRZSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824044931 608399230 /nfs/dbraw/zinc/39/92/30/608399230.db2.gz BENUQOQJODYMIT-LBPRGKRZSA-N -1 1 397.418 0.945 20 0 GCADMM O=C(CCNc1ccc(-c2nn[n-]n2)nn1)N1CCN(c2ccccn2)CC1 ZINC000826407855 608408599 /nfs/dbraw/zinc/40/85/99/608408599.db2.gz DZVROXKQYOQTMQ-UHFFFAOYSA-N -1 1 380.416 0.203 20 0 GCADMM CCc1nn(C)c(Cl)c1CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825760050 608415157 /nfs/dbraw/zinc/41/51/57/608415157.db2.gz STQSAUQJSVJYFK-UHFFFAOYSA-N -1 1 388.867 0.928 20 0 GCADMM CCc1nn(C)c(Cl)c1CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825760050 608415159 /nfs/dbraw/zinc/41/51/59/608415159.db2.gz STQSAUQJSVJYFK-UHFFFAOYSA-N -1 1 388.867 0.928 20 0 GCADMM O=C1[C@H](N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCN1c1ccccc1 ZINC000826477126 608418970 /nfs/dbraw/zinc/41/89/70/608418970.db2.gz WHVYRZLPXGUJNT-MRXNPFEDSA-N -1 1 391.439 0.584 20 0 GCADMM O=C1[C@H](N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCN1c1ccccc1 ZINC000826477126 608418972 /nfs/dbraw/zinc/41/89/72/608418972.db2.gz WHVYRZLPXGUJNT-MRXNPFEDSA-N -1 1 391.439 0.584 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C(C)(C)C1 ZINC000823981709 608422535 /nfs/dbraw/zinc/42/25/35/608422535.db2.gz PRSUMFSECQLCDN-UHFFFAOYSA-N -1 1 382.421 0.637 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C(C)(C)C1 ZINC000823981301 608422552 /nfs/dbraw/zinc/42/25/52/608422552.db2.gz MGPCPMLFSQJEHF-UHFFFAOYSA-N -1 1 382.421 0.637 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C(C)(C)C1 ZINC000823981301 608422554 /nfs/dbraw/zinc/42/25/54/608422554.db2.gz MGPCPMLFSQJEHF-UHFFFAOYSA-N -1 1 382.421 0.637 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nnn[n-]4)nn3)cn2)C[C@H](C)O1 ZINC000824969480 608423137 /nfs/dbraw/zinc/42/31/37/608423137.db2.gz UTKNJMAEVRCMMH-PHIMTYICSA-N -1 1 384.404 0.233 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nn[n-]n4)nn3)cn2)C[C@H](C)O1 ZINC000824969480 608423138 /nfs/dbraw/zinc/42/31/38/608423138.db2.gz UTKNJMAEVRCMMH-PHIMTYICSA-N -1 1 384.404 0.233 20 0 GCADMM CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC000825734894 608433646 /nfs/dbraw/zinc/43/36/46/608433646.db2.gz NTONWXWEJFJBRS-LBPRGKRZSA-N -1 1 383.416 0.835 20 0 GCADMM CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC000825734894 608433648 /nfs/dbraw/zinc/43/36/48/608433648.db2.gz NTONWXWEJFJBRS-LBPRGKRZSA-N -1 1 383.416 0.835 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000826483171 608434226 /nfs/dbraw/zinc/43/42/26/608434226.db2.gz DHTIQEIYLPFRMO-NSHDSACASA-N -1 1 392.379 0.158 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000826483171 608434228 /nfs/dbraw/zinc/43/42/28/608434228.db2.gz DHTIQEIYLPFRMO-NSHDSACASA-N -1 1 392.379 0.158 20 0 GCADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000823967146 608438303 /nfs/dbraw/zinc/43/83/03/608438303.db2.gz JGVIPTDBKDTRSS-GFCCVEGCSA-N -1 1 398.431 0.791 20 0 GCADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000823967146 608438305 /nfs/dbraw/zinc/43/83/05/608438305.db2.gz JGVIPTDBKDTRSS-GFCCVEGCSA-N -1 1 398.431 0.791 20 0 GCADMM CC(C)C(=O)NCCN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824185395 608447540 /nfs/dbraw/zinc/44/75/40/608447540.db2.gz YKPNUZQPPWTOHH-UHFFFAOYSA-N -1 1 386.865 0.913 20 0 GCADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)N2CCSCC2)c(-c2nn[n-]n2)c1C ZINC000826342717 608453547 /nfs/dbraw/zinc/45/35/47/608453547.db2.gz XACMJBPYSLIQHN-SNVBAGLBSA-N -1 1 394.457 0.996 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)nn1 ZINC000826258465 608460458 /nfs/dbraw/zinc/46/04/58/608460458.db2.gz MJCJOWQUJNCRER-NSHDSACASA-N -1 1 380.416 0.414 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)nn1 ZINC000826258465 608460460 /nfs/dbraw/zinc/46/04/60/608460460.db2.gz MJCJOWQUJNCRER-NSHDSACASA-N -1 1 380.416 0.414 20 0 GCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000826280893 608542696 /nfs/dbraw/zinc/54/26/96/608542696.db2.gz UWUGEMNPUPSYBO-MRXNPFEDSA-N -1 1 378.440 0.919 20 0 GCADMM COCCn1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826163764 608549173 /nfs/dbraw/zinc/54/91/73/608549173.db2.gz KFQOOQOLPXWHGM-UHFFFAOYSA-N -1 1 389.424 0.111 20 0 GCADMM COCCn1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826163764 608549175 /nfs/dbraw/zinc/54/91/75/608549175.db2.gz KFQOOQOLPXWHGM-UHFFFAOYSA-N -1 1 389.424 0.111 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000825923329 608555219 /nfs/dbraw/zinc/55/52/19/608555219.db2.gz HDUIETLPGOHLEQ-JTQLQIEISA-N -1 1 389.464 0.210 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000825923329 608555220 /nfs/dbraw/zinc/55/52/20/608555220.db2.gz HDUIETLPGOHLEQ-JTQLQIEISA-N -1 1 389.464 0.210 20 0 GCADMM CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824178158 608557095 /nfs/dbraw/zinc/55/70/95/608557095.db2.gz NMFKUXVFEQXLKK-LBPRGKRZSA-N -1 1 389.464 0.210 20 0 GCADMM CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824178158 608557097 /nfs/dbraw/zinc/55/70/97/608557097.db2.gz NMFKUXVFEQXLKK-LBPRGKRZSA-N -1 1 389.464 0.210 20 0 GCADMM CC(C)NC(=O)CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824300972 608557618 /nfs/dbraw/zinc/55/76/18/608557618.db2.gz OXPWQKCTEGLMMD-UHFFFAOYSA-N -1 1 377.453 0.258 20 0 GCADMM CC(C)NC(=O)CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824300972 608557620 /nfs/dbraw/zinc/55/76/20/608557620.db2.gz OXPWQKCTEGLMMD-UHFFFAOYSA-N -1 1 377.453 0.258 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(C(=O)NC2CC2)CCC1 ZINC000825923605 608559356 /nfs/dbraw/zinc/55/93/56/608559356.db2.gz OGGYWSMPGPEUJQ-UHFFFAOYSA-N -1 1 387.448 0.012 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(C(=O)NC2CC2)CCC1 ZINC000825923605 608559358 /nfs/dbraw/zinc/55/93/58/608559358.db2.gz OGGYWSMPGPEUJQ-UHFFFAOYSA-N -1 1 387.448 0.012 20 0 GCADMM Cc1cccn2cc(CC(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)nc12 ZINC000826307978 608559501 /nfs/dbraw/zinc/55/95/01/608559501.db2.gz DHYOKEMQMPUDNL-UHFFFAOYSA-N -1 1 394.443 0.762 20 0 GCADMM Cc1cccn2cc(CC(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)nc12 ZINC000826307978 608559502 /nfs/dbraw/zinc/55/95/02/608559502.db2.gz DHYOKEMQMPUDNL-UHFFFAOYSA-N -1 1 394.443 0.762 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000825934720 608560447 /nfs/dbraw/zinc/56/04/47/608560447.db2.gz QRSKUAUJSJLVKB-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000825934720 608560449 /nfs/dbraw/zinc/56/04/49/608560449.db2.gz QRSKUAUJSJLVKB-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CCOc1cccc([C@@H]2C[C@H]2Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000825649648 608589242 /nfs/dbraw/zinc/58/92/42/608589242.db2.gz UEZBKFPQTBCPON-QWHCGFSZSA-N -1 1 383.412 0.631 20 0 GCADMM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CCO2 ZINC000826334199 608589387 /nfs/dbraw/zinc/58/93/87/608589387.db2.gz LEVYSLRMAIPVEN-UHFFFAOYSA-N -1 1 379.377 0.635 20 0 GCADMM CCc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000825712103 608808791 /nfs/dbraw/zinc/80/87/91/608808791.db2.gz KCBQWRMERSCSJE-UHFFFAOYSA-N -1 1 397.443 0.730 20 0 GCADMM CCc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000825712103 608808792 /nfs/dbraw/zinc/80/87/92/608808792.db2.gz KCBQWRMERSCSJE-UHFFFAOYSA-N -1 1 397.443 0.730 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(N(C)C)nc1 ZINC000825000797 608840088 /nfs/dbraw/zinc/84/00/88/608840088.db2.gz VHUFZYOXGAWGRG-LBPRGKRZSA-N -1 1 381.448 0.223 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc(N(C)C)nc1 ZINC000825000797 608840089 /nfs/dbraw/zinc/84/00/89/608840089.db2.gz VHUFZYOXGAWGRG-LBPRGKRZSA-N -1 1 381.448 0.223 20 0 GCADMM CC(C)n1cc2c(n1)[C@@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CCC2 ZINC000824371534 609171935 /nfs/dbraw/zinc/17/19/35/609171935.db2.gz IZCDJZBIFOLQAY-NSHDSACASA-N -1 1 385.432 0.531 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCOc3cc(F)ccc32)n(C)c1=O ZINC000826355503 609172371 /nfs/dbraw/zinc/17/23/71/609172371.db2.gz CIIJOBCGVBKRED-NSHDSACASA-N -1 1 387.375 0.729 20 0 GCADMM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490952 609182789 /nfs/dbraw/zinc/18/27/89/609182789.db2.gz NZSZHELYQNUUMA-LLVKDONJSA-N -1 1 399.404 0.206 20 0 GCADMM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490953 609183089 /nfs/dbraw/zinc/18/30/89/609183089.db2.gz NZSZHELYQNUUMA-NSHDSACASA-N -1 1 399.404 0.206 20 0 GCADMM COCCn1cc2c(n1)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)CCC2 ZINC000826164006 609266751 /nfs/dbraw/zinc/26/67/51/609266751.db2.gz VDZZOEFCTCOCDW-LBPRGKRZSA-N -1 1 386.416 0.742 20 0 GCADMM COCCn1cc2c(n1)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)CCC2 ZINC000826164006 609266753 /nfs/dbraw/zinc/26/67/53/609266753.db2.gz VDZZOEFCTCOCDW-LBPRGKRZSA-N -1 1 386.416 0.742 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NCCCOCCO)c1-c1nn[n-]n1 ZINC000826231488 609267019 /nfs/dbraw/zinc/26/70/19/609267019.db2.gz NKKCOKAZYPUPDG-UHFFFAOYSA-N -1 1 378.458 0.990 20 0 GCADMM CN1CC[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1=O ZINC000826022420 609286884 /nfs/dbraw/zinc/28/68/84/609286884.db2.gz MTWGKCNLWBWCCX-JTQLQIEISA-N -1 1 384.375 0.998 20 0 GCADMM Cn1cc(C(N)=O)cc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826359838 609289710 /nfs/dbraw/zinc/28/97/10/609289710.db2.gz RLBFQXMOXXTWRF-UHFFFAOYSA-N -1 1 395.358 0.881 20 0 GCADMM CC(C)OC(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824305049 609298610 /nfs/dbraw/zinc/29/86/10/609298610.db2.gz KAUJZZSXVAQYIJ-UHFFFAOYSA-N -1 1 379.425 0.088 20 0 GCADMM CC(C)OC(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824305049 609298611 /nfs/dbraw/zinc/29/86/11/609298611.db2.gz KAUJZZSXVAQYIJ-UHFFFAOYSA-N -1 1 379.425 0.088 20 0 GCADMM Cc1ncsc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826331325 609303379 /nfs/dbraw/zinc/30/33/79/609303379.db2.gz DAOQKRIECKEYMG-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM Cc1ncsc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826331325 609303381 /nfs/dbraw/zinc/30/33/81/609303381.db2.gz DAOQKRIECKEYMG-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM C[C@@H](Cc1ccncc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457254 609303399 /nfs/dbraw/zinc/30/33/99/609303399.db2.gz IFTXJNYUEFBNGC-NSHDSACASA-N -1 1 384.448 0.772 20 0 GCADMM C[C@@H](Cc1ccncc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457254 609303400 /nfs/dbraw/zinc/30/34/00/609303400.db2.gz IFTXJNYUEFBNGC-NSHDSACASA-N -1 1 384.448 0.772 20 0 GCADMM CC(C)OC(=O)[C@H](C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824305373 609303439 /nfs/dbraw/zinc/30/34/39/609303439.db2.gz OJFNACFPDQZKIX-SNVBAGLBSA-N -1 1 393.452 0.334 20 0 GCADMM CC(C)OC(=O)[C@H](C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824305373 609303440 /nfs/dbraw/zinc/30/34/40/609303440.db2.gz OJFNACFPDQZKIX-SNVBAGLBSA-N -1 1 393.452 0.334 20 0 GCADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000824492464 609309142 /nfs/dbraw/zinc/30/91/42/609309142.db2.gz ZGTUDRLNOGYVBQ-MNOVXSKESA-N -1 1 377.453 0.561 20 0 GCADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000824492464 609309144 /nfs/dbraw/zinc/30/91/44/609309144.db2.gz ZGTUDRLNOGYVBQ-MNOVXSKESA-N -1 1 377.453 0.561 20 0 GCADMM C[C@@H]1C[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824884330 609309416 /nfs/dbraw/zinc/30/94/16/609309416.db2.gz NKPQGYOABFBATL-GHMZBOCLSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@@H]1C[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824884330 609309417 /nfs/dbraw/zinc/30/94/17/609309417.db2.gz NKPQGYOABFBATL-GHMZBOCLSA-N -1 1 377.453 0.561 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000825929196 609309964 /nfs/dbraw/zinc/30/99/64/609309964.db2.gz CJVCUTDBCWRKDQ-LLVKDONJSA-N -1 1 389.464 0.848 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000825929196 609309965 /nfs/dbraw/zinc/30/99/65/609309965.db2.gz CJVCUTDBCWRKDQ-LLVKDONJSA-N -1 1 389.464 0.848 20 0 GCADMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1(C)C ZINC000826144880 609310197 /nfs/dbraw/zinc/31/01/97/609310197.db2.gz UUKDFUUOWVYJDT-TVYUQYBPSA-N -1 1 391.480 0.806 20 0 GCADMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1(C)C ZINC000826144880 609310199 /nfs/dbraw/zinc/31/01/99/609310199.db2.gz UUKDFUUOWVYJDT-TVYUQYBPSA-N -1 1 391.480 0.806 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000826425350 609310478 /nfs/dbraw/zinc/31/04/78/609310478.db2.gz ZDVZDQOKQOPHRI-UHFFFAOYSA-N -1 1 394.374 0.368 20 0 GCADMM C[C@@H](O)c1cn(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nn1 ZINC000824707734 609312041 /nfs/dbraw/zinc/31/20/41/609312041.db2.gz VCPJVFCMQRMVNV-SECBINFHSA-N -1 1 398.362 0.475 20 0 GCADMM Cn1c(=O)[nH]cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1=O ZINC000826354796 609313666 /nfs/dbraw/zinc/31/36/66/609313666.db2.gz VFDFDSVVBAWSQY-UHFFFAOYSA-N -1 1 397.330 0.243 20 0 GCADMM O=C(Cn1cccnc1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826424382 609315418 /nfs/dbraw/zinc/31/54/18/609315418.db2.gz JYVVCGZJYPHIEC-UHFFFAOYSA-N -1 1 381.331 0.387 20 0 GCADMM Cc1c[nH]cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1=O ZINC000826319248 609322520 /nfs/dbraw/zinc/32/25/20/609322520.db2.gz VBCMCFFKEOTNRA-UHFFFAOYSA-N -1 1 396.411 0.691 20 0 GCADMM Cc1c[nH]cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1=O ZINC000826318854 609351973 /nfs/dbraw/zinc/35/19/73/609351973.db2.gz COCTUWUZVXDEOK-NSHDSACASA-N -1 1 381.400 0.004 20 0 GCADMM Cc1c[nH]cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1=O ZINC000826318854 609351974 /nfs/dbraw/zinc/35/19/74/609351974.db2.gz COCTUWUZVXDEOK-NSHDSACASA-N -1 1 381.400 0.004 20 0 GCADMM C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824899441 609352158 /nfs/dbraw/zinc/35/21/58/609352158.db2.gz JWKANLZDMDYVEV-VHSXEESVSA-N -1 1 384.375 0.902 20 0 GCADMM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCN(C)C1=O ZINC000826021647 609356452 /nfs/dbraw/zinc/35/64/52/609356452.db2.gz BLUMCPRLWBPRRV-LBPRGKRZSA-N -1 1 399.390 0.886 20 0 GCADMM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCNC1=O ZINC000825820576 609359021 /nfs/dbraw/zinc/35/90/21/609359021.db2.gz LJBRNOGWVWXLCB-LLVKDONJSA-N -1 1 385.363 0.544 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCO[C@H](CO)C1 ZINC000826458055 609359581 /nfs/dbraw/zinc/35/95/81/609359581.db2.gz ARDYGNJPYPXEPP-JTQLQIEISA-N -1 1 388.363 0.417 20 0 GCADMM CC(C)(CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(N)=O ZINC000824157770 609359885 /nfs/dbraw/zinc/35/98/85/609359885.db2.gz LCNKCSWYUCWONK-UHFFFAOYSA-N -1 1 387.379 0.825 20 0 GCADMM C[C@H](Cn1cncn1)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824466580 609360482 /nfs/dbraw/zinc/36/04/82/609360482.db2.gz YKIFUQPKWIFDQB-SNVBAGLBSA-N -1 1 397.378 0.993 20 0 GCADMM O=C(NC[C@@H]1COCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435081 609361422 /nfs/dbraw/zinc/36/14/22/609361422.db2.gz GDPVYDDNTNEQTD-SNVBAGLBSA-N -1 1 388.363 0.728 20 0 GCADMM CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826059992 609364022 /nfs/dbraw/zinc/36/40/22/609364022.db2.gz DQSLMUDRJYLSBL-LBPRGKRZSA-N -1 1 399.390 0.934 20 0 GCADMM COC[C@@](C)(CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826148324 609364244 /nfs/dbraw/zinc/36/42/44/609364244.db2.gz FRFMAUPIFRGBSF-MRXNPFEDSA-N -1 1 390.379 0.710 20 0 GCADMM COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826129630 609368880 /nfs/dbraw/zinc/36/88/80/609368880.db2.gz XCSBWQKIDCCTHD-NEPJUHHUSA-N -1 1 392.416 0.667 20 0 GCADMM Cc1n[nH]cc1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826322331 609369343 /nfs/dbraw/zinc/36/93/43/609369343.db2.gz IFQFYFFNIPMKTC-UHFFFAOYSA-N -1 1 396.346 0.800 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000825356920 609394565 /nfs/dbraw/zinc/39/45/65/609394565.db2.gz QENDVSSKHXXVIL-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000825356920 609394567 /nfs/dbraw/zinc/39/45/67/609394567.db2.gz QENDVSSKHXXVIL-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1-n1cnnn1 ZINC000826188358 609402488 /nfs/dbraw/zinc/40/24/88/609402488.db2.gz UXBIFBUZSTUYEE-UHFFFAOYSA-N -1 1 379.340 0.603 20 0 GCADMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1-n1cnnn1 ZINC000826188358 609402491 /nfs/dbraw/zinc/40/24/91/609402491.db2.gz UXBIFBUZSTUYEE-UHFFFAOYSA-N -1 1 379.340 0.603 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826496155 609447644 /nfs/dbraw/zinc/44/76/44/609447644.db2.gz MTDJLKLSHXTAEH-LLVKDONJSA-N -1 1 392.420 0.698 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826496155 609447645 /nfs/dbraw/zinc/44/76/45/609447645.db2.gz MTDJLKLSHXTAEH-LLVKDONJSA-N -1 1 392.420 0.698 20 0 GCADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1-n1cnnn1 ZINC000826291352 609450992 /nfs/dbraw/zinc/45/09/92/609450992.db2.gz BBSFPIAAIOWTFH-UHFFFAOYSA-N -1 1 383.397 0.952 20 0 GCADMM Cc1nc([C@@H]2COCCN2CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)no1 ZINC000826325298 609498097 /nfs/dbraw/zinc/49/80/97/609498097.db2.gz TWXDWTVPOWQYAX-NSHDSACASA-N -1 1 388.388 0.780 20 0 GCADMM O=C1C[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CN1C1CC1 ZINC000826478629 609585883 /nfs/dbraw/zinc/58/58/83/609585883.db2.gz HBNKVOMTRPDRHS-VIFPVBQESA-N -1 1 380.405 0.295 20 0 GCADMM O=C1C[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CN1C1CC1 ZINC000826478629 609585885 /nfs/dbraw/zinc/58/58/85/609585885.db2.gz HBNKVOMTRPDRHS-VIFPVBQESA-N -1 1 380.405 0.295 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCO1 ZINC000825182307 609593607 /nfs/dbraw/zinc/59/36/07/609593607.db2.gz HSCIDNJHIPTRJC-BFHYXJOUSA-N -1 1 386.460 0.899 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCO1 ZINC000825182307 609593609 /nfs/dbraw/zinc/59/36/09/609593609.db2.gz HSCIDNJHIPTRJC-BFHYXJOUSA-N -1 1 386.460 0.899 20 0 GCADMM O=S(=O)(NC[C@H]1CCCCS1(=O)=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490274 609610204 /nfs/dbraw/zinc/61/02/04/609610204.db2.gz OVODDJAUVQHTLK-SNVBAGLBSA-N -1 1 389.434 0.251 20 0 GCADMM COC(=O)[C@@H](NC(=O)c1ccc(I)cc1[O-])[C@@H](C)O ZINC000219449170 638563718 /nfs/dbraw/zinc/56/37/18/638563718.db2.gz ILLUKAJYZUBQTR-LDWIPMOCSA-N -1 1 379.150 0.649 20 0 GCADMM Cn1c(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n[n-]c1=S ZINC000066626131 638586526 /nfs/dbraw/zinc/58/65/26/638586526.db2.gz VYYFUFBHDCYPQL-UHFFFAOYSA-N -1 1 391.425 0.741 20 0 GCADMM C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000180255455 638593422 /nfs/dbraw/zinc/59/34/22/638593422.db2.gz OBSHKXLQHULXCL-UHFFFAOYSA-N -1 1 378.204 0.938 20 0 GCADMM Cc1nc(S(=O)(=O)[N-]C(C)(C)CN2CCOCC2)c(Br)n1C ZINC000308672172 638605481 /nfs/dbraw/zinc/60/54/81/638605481.db2.gz KKHVPSQGTMPQCJ-UHFFFAOYSA-N -1 1 395.323 0.880 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051405 638650322 /nfs/dbraw/zinc/65/03/22/638650322.db2.gz IJDGCJHWYXQFJM-LLVKDONJSA-N -1 1 375.520 0.731 20 0 GCADMM Cn1ccc(S(=O)(=O)[N-]N=c2ccc(S(=O)(=O)NC(C)(C)C)c[nH]2)n1 ZINC000727355469 638744546 /nfs/dbraw/zinc/74/45/46/638744546.db2.gz NBVLNCODZSUGJP-UHFFFAOYSA-N -1 1 388.475 0.197 20 0 GCADMM C[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)C1 ZINC000348364190 639121137 /nfs/dbraw/zinc/12/11/37/639121137.db2.gz ATRXYVAFGMTYTC-MNOVXSKESA-N -1 1 394.523 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CCOC(=O)c1ccc(NCCNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)nc1 ZINC001180805552 1205833419 /nfs/dbraw/zinc/83/34/19/1205833419.db2.gz NLBRYFIBDQRHON-UHFFFAOYSA-N -1 1 396.425 0.601 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@@H]1C(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001180997205 1205836445 /nfs/dbraw/zinc/83/64/45/1205836445.db2.gz YEVVUHHOQGDUEM-ZXFLCMHBSA-N -1 1 376.373 0.910 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)Cc1cccc2[nH]ccc21 ZINC001181729005 1205848838 /nfs/dbraw/zinc/84/88/38/1205848838.db2.gz LKWTYDQLKPQNRT-INIZCTEOSA-N -1 1 383.408 0.752 20 0 GCADMM COC(=O)c1cn(C)nc1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001182008722 1205854247 /nfs/dbraw/zinc/85/42/47/1205854247.db2.gz NCPCRGMQYFTLAF-UHFFFAOYSA-N -1 1 387.327 0.646 20 0 GCADMM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)cc1 ZINC001182124973 1205856841 /nfs/dbraw/zinc/85/68/41/1205856841.db2.gz ZXJAHLODTIJFIH-NSHDSACASA-N -1 1 393.425 0.570 20 0 GCADMM 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KFAZYKMGTMCLFQ-CYBMUJFWSA-N -1 1 385.432 0.071 20 0 GCADMM CN1C(=O)CCC[C@@H]1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259259 945380832 /nfs/dbraw/zinc/38/08/32/945380832.db2.gz KFAZYKMGTMCLFQ-CYBMUJFWSA-N -1 1 385.432 0.071 20 0 GCADMM O=C(C[C@H]1CCCC(=O)N1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571259377 945386377 /nfs/dbraw/zinc/38/63/77/945386377.db2.gz GCXSNEWRMGQZLP-VXGBXAGGSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(C[C@H]1CCCC(=O)N1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571259377 945386385 /nfs/dbraw/zinc/38/63/85/945386385.db2.gz GCXSNEWRMGQZLP-VXGBXAGGSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(CN1CCCCC1=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571259663 945393087 /nfs/dbraw/zinc/39/30/87/945393087.db2.gz IZQAHICIDXIROM-GFCCVEGCSA-N -1 1 385.432 0.072 20 0 GCADMM O=C(CN1CCCCC1=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571259663 945393099 /nfs/dbraw/zinc/39/30/99/945393099.db2.gz IZQAHICIDXIROM-GFCCVEGCSA-N -1 1 385.432 0.072 20 0 GCADMM 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ZINC001571260500 945416005 /nfs/dbraw/zinc/41/60/05/945416005.db2.gz UXBGFEQNARWQII-SRVKXCTJSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571260698 945422382 /nfs/dbraw/zinc/42/23/82/945422382.db2.gz ZRQZZEJUVGNRNY-NWDGAFQWSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571260698 945422389 /nfs/dbraw/zinc/42/23/89/945422389.db2.gz ZRQZZEJUVGNRNY-NWDGAFQWSA-N -1 1 385.432 0.118 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)CCc2nccs2)C1 ZINC001571261611 945429918 /nfs/dbraw/zinc/42/99/18/945429918.db2.gz HGJKQXDHTZWNDO-LLVKDONJSA-N -1 1 385.457 0.783 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CCc2nccs2)C1 ZINC001571261611 945429925 /nfs/dbraw/zinc/42/99/25/945429925.db2.gz HGJKQXDHTZWNDO-LLVKDONJSA-N -1 1 385.457 0.783 20 0 GCADMM CCc1nc(CC(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001571262382 945437268 /nfs/dbraw/zinc/43/72/68/945437268.db2.gz QVUXMMWEGSEYAV-SNVBAGLBSA-N -1 1 385.457 0.613 20 0 GCADMM CCc1nc(CC(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001571262382 945437272 /nfs/dbraw/zinc/43/72/72/945437272.db2.gz QVUXMMWEGSEYAV-SNVBAGLBSA-N -1 1 385.457 0.613 20 0 GCADMM O=C(c1ccsn1)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263097 945449699 /nfs/dbraw/zinc/44/96/99/945449699.db2.gz HGVTWHMBNPKCPN-NSHDSACASA-N -1 1 385.457 0.890 20 0 GCADMM Cc1nc(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001571263116 945449860 /nfs/dbraw/zinc/44/98/60/945449860.db2.gz HWQMJPQINLWMNV-NOZJJQNGSA-N -1 1 385.457 0.923 20 0 GCADMM Cc1nc(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001571263116 945449866 /nfs/dbraw/zinc/44/98/66/945449866.db2.gz HWQMJPQINLWMNV-NOZJJQNGSA-N -1 1 385.457 0.923 20 0 GCADMM Cc1nscc1C(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263357 945455722 /nfs/dbraw/zinc/45/57/22/945455722.db2.gz NNAGPMRXMVWQTR-WDEREUQCSA-N -1 1 385.457 0.854 20 0 GCADMM Cc1nc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571263287 945456140 /nfs/dbraw/zinc/45/61/40/945456140.db2.gz MBZIOPLRDKIZRQ-LLVKDONJSA-N -1 1 385.457 0.869 20 0 GCADMM Cc1nscc1C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263356 945456285 /nfs/dbraw/zinc/45/62/85/945456285.db2.gz NNAGPMRXMVWQTR-QWRGUYRKSA-N -1 1 385.457 0.854 20 0 GCADMM Cc1nscc1C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263433 945457379 /nfs/dbraw/zinc/45/73/79/945457379.db2.gz PWNRFJDDKLLCRN-LLVKDONJSA-N -1 1 385.457 0.808 20 0 GCADMM Cc1nc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)s1 ZINC001571263528 945461211 /nfs/dbraw/zinc/46/12/11/945461211.db2.gz SLRPSVBMKUEBHI-NSHDSACASA-N -1 1 385.457 0.407 20 0 GCADMM C[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(F)c1 ZINC000820726987 945539766 /nfs/dbraw/zinc/53/97/66/945539766.db2.gz DZTVTRWNFWZWJB-IINYFYTJSA-N -1 1 385.403 0.991 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC001571266723 945552171 /nfs/dbraw/zinc/55/21/71/945552171.db2.gz XYMWNUZBWHTWNH-IUCAKERBSA-N -1 1 385.475 0.078 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571266853 945554313 /nfs/dbraw/zinc/55/43/13/945554313.db2.gz AJFCSCARGLJLNG-TVQRCGJNSA-N -1 1 386.366 0.929 20 0 GCADMM O=C(Cc1cc(F)ccc1F)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571266945 945557371 /nfs/dbraw/zinc/55/73/71/945557371.db2.gz CXJJFBKAOMBPQM-LBPRGKRZSA-N -1 1 386.366 0.873 20 0 GCADMM O=C(Cc1cc(F)ccc1F)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571266945 945557380 /nfs/dbraw/zinc/55/73/80/945557380.db2.gz CXJJFBKAOMBPQM-LBPRGKRZSA-N -1 1 386.366 0.873 20 0 GCADMM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2-c2nn[n-]n2)O1 ZINC001571267281 945566807 /nfs/dbraw/zinc/56/68/07/945566807.db2.gz OXPXIIHIPAPXGF-DTWKUNHWSA-N -1 1 386.290 0.737 20 0 GCADMM Cc1cc(NC(=O)CCn2c(=O)c(-c3nn[n-]n3)c(C)n(C3CC3)c2=O)no1 ZINC001571267569 945572750 /nfs/dbraw/zinc/57/27/50/945572750.db2.gz YTEIEEAAORVKNL-UHFFFAOYSA-N -1 1 386.372 0.159 20 0 GCADMM O=C(Cc1c(F)cccc1F)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267526 945573304 /nfs/dbraw/zinc/57/33/04/945573304.db2.gz YBKRNJDKODHEFV-SNVBAGLBSA-N -1 1 386.366 0.873 20 0 GCADMM O=C(Cc1c(F)cccc1F)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267526 945573312 /nfs/dbraw/zinc/57/33/12/945573312.db2.gz YBKRNJDKODHEFV-SNVBAGLBSA-N -1 1 386.366 0.873 20 0 GCADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001571268245 945592461 /nfs/dbraw/zinc/59/24/61/945592461.db2.gz PKZQMVJCAUIYAP-UHFFFAOYSA-N -1 1 386.395 0.438 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1)c1nccnc1-c1nnn[n-]1 ZINC001571268466 945595815 /nfs/dbraw/zinc/59/58/15/945595815.db2.gz SRFJJPRDBGLYPP-SNVBAGLBSA-N -1 1 386.395 0.508 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2n[nH]cc2F)C1)c1nccnc1-c1nn[n-]n1 ZINC001571268466 945595820 /nfs/dbraw/zinc/59/58/20/945595820.db2.gz SRFJJPRDBGLYPP-SNVBAGLBSA-N -1 1 386.395 0.508 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1=COCCC1 ZINC001571268557 945597306 /nfs/dbraw/zinc/59/73/06/945597306.db2.gz HHYDNFXFCZPXDG-CYBMUJFWSA-N -1 1 386.416 0.063 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1=COCCC1 ZINC001571268557 945597312 /nfs/dbraw/zinc/59/73/12/945597312.db2.gz HHYDNFXFCZPXDG-CYBMUJFWSA-N -1 1 386.416 0.063 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCc3n[nH]c(=O)cc3C2)cc1-c1nn[n-]n1 ZINC001571268506 945598642 /nfs/dbraw/zinc/59/86/42/945598642.db2.gz UQFBWUJYOCIFPG-UHFFFAOYSA-N -1 1 386.397 0.383 20 0 GCADMM CC[C@@H](C)n1nccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571268936 945607373 /nfs/dbraw/zinc/60/73/73/945607373.db2.gz KWYHRAHBEVBNIF-SNVBAGLBSA-N -1 1 386.420 0.846 20 0 GCADMM CC[C@@H](C)n1nccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571268936 945607378 /nfs/dbraw/zinc/60/73/78/945607378.db2.gz KWYHRAHBEVBNIF-SNVBAGLBSA-N -1 1 386.420 0.846 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571268910 945607499 /nfs/dbraw/zinc/60/74/99/945607499.db2.gz ZDGIOJFFSUMPMS-VHSXEESVSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571268910 945607504 /nfs/dbraw/zinc/60/75/04/945607504.db2.gz ZDGIOJFFSUMPMS-VHSXEESVSA-N -1 1 386.395 0.729 20 0 GCADMM Cc1cscc1C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571269609 945621891 /nfs/dbraw/zinc/62/18/91/945621891.db2.gz AAGGJEBGKAILBK-NSHDSACASA-N -1 1 386.441 0.402 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)c3csnn3)[C@H](C)C2)n1 ZINC001571269687 945622857 /nfs/dbraw/zinc/62/28/57/945622857.db2.gz CFUXMJOZOSVONX-PSASIEDQSA-N -1 1 386.445 0.319 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)c3csnn3)[C@H](C)C2)n1 ZINC001571269687 945622863 /nfs/dbraw/zinc/62/28/63/945622863.db2.gz CFUXMJOZOSVONX-PSASIEDQSA-N -1 1 386.445 0.319 20 0 GCADMM C[C@@H](NC(=O)c1cnsn1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571269662 945622894 /nfs/dbraw/zinc/62/28/94/945622894.db2.gz BVHFJDAZWVIEQU-SECBINFHSA-N -1 1 386.445 0.543 20 0 GCADMM C[C@@H](NC(=O)c1cnsn1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571269662 945622899 /nfs/dbraw/zinc/62/28/99/945622899.db2.gz BVHFJDAZWVIEQU-SECBINFHSA-N -1 1 386.445 0.543 20 0 GCADMM CCc1nnsc1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269665 945623170 /nfs/dbraw/zinc/62/31/70/945623170.db2.gz BVTYJYXUSUHMIY-VIFPVBQESA-N -1 1 386.445 0.787 20 0 GCADMM CCc1nnsc1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269665 945623173 /nfs/dbraw/zinc/62/31/73/945623173.db2.gz BVTYJYXUSUHMIY-VIFPVBQESA-N -1 1 386.445 0.787 20 0 GCADMM Cc1csc(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571269625 945623486 /nfs/dbraw/zinc/62/34/86/945623486.db2.gz AVMXTSLVSULQFX-LLVKDONJSA-N -1 1 386.441 0.980 20 0 GCADMM Cc1csc(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269625 945623490 /nfs/dbraw/zinc/62/34/90/945623490.db2.gz AVMXTSLVSULQFX-LLVKDONJSA-N -1 1 386.441 0.980 20 0 GCADMM COCc1csc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571269648 945623670 /nfs/dbraw/zinc/62/36/70/945623670.db2.gz BNUJSLKVCCVQCL-LLVKDONJSA-N -1 1 386.441 0.873 20 0 GCADMM COCc1csc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269648 945623678 /nfs/dbraw/zinc/62/36/78/945623678.db2.gz BNUJSLKVCCVQCL-LLVKDONJSA-N -1 1 386.441 0.873 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571269836 945625265 /nfs/dbraw/zinc/62/52/65/945625265.db2.gz DSNNMNPNQAMENZ-SNVBAGLBSA-N -1 1 386.445 0.842 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571269836 945625268 /nfs/dbraw/zinc/62/52/68/945625268.db2.gz DSNNMNPNQAMENZ-SNVBAGLBSA-N -1 1 386.445 0.842 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3snnc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571269813 945625644 /nfs/dbraw/zinc/62/56/44/945625644.db2.gz DCQXZTGUTORFGT-VIFPVBQESA-N -1 1 386.445 0.706 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3snnc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571269813 945625648 /nfs/dbraw/zinc/62/56/48/945625648.db2.gz DCQXZTGUTORFGT-VIFPVBQESA-N -1 1 386.445 0.706 20 0 GCADMM CCc1nnsc1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269845 945625814 /nfs/dbraw/zinc/62/58/14/945625814.db2.gz DZIMYQXCNVPTBA-UHFFFAOYSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269845 945625820 /nfs/dbraw/zinc/62/58/20/945625820.db2.gz DZIMYQXCNVPTBA-UHFFFAOYSA-N -1 1 386.445 0.786 20 0 GCADMM CC[C@H]1CN(C(=O)c2csnn2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571269959 945628142 /nfs/dbraw/zinc/62/81/42/945628142.db2.gz IWWVOBRMGHLQFS-VHSXEESVSA-N -1 1 386.445 0.861 20 0 GCADMM CC[C@H]1CN(C(=O)c2csnn2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571269959 945628147 /nfs/dbraw/zinc/62/81/47/945628147.db2.gz IWWVOBRMGHLQFS-VHSXEESVSA-N -1 1 386.445 0.861 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571269992 945629556 /nfs/dbraw/zinc/62/95/56/945629556.db2.gz JREHRDRBOYIVBX-SCZZXKLOSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571269992 945629562 /nfs/dbraw/zinc/62/95/62/945629562.db2.gz JREHRDRBOYIVBX-SCZZXKLOSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571270309 945634591 /nfs/dbraw/zinc/63/45/91/945634591.db2.gz PWXCPENGAPEUFC-VIFPVBQESA-N -1 1 386.445 0.422 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571270309 945634596 /nfs/dbraw/zinc/63/45/96/945634596.db2.gz PWXCPENGAPEUFC-VIFPVBQESA-N -1 1 386.445 0.422 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC001571270321 945635036 /nfs/dbraw/zinc/63/50/36/945635036.db2.gz QEGYIKDSGZUCRQ-NXEZZACHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC001571270321 945635042 /nfs/dbraw/zinc/63/50/42/945635042.db2.gz QEGYIKDSGZUCRQ-NXEZZACHSA-N -1 1 386.445 0.861 20 0 GCADMM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)c1ncccn1 ZINC001571270431 945636704 /nfs/dbraw/zinc/63/67/04/945636704.db2.gz SZFVEJQGSZULMH-NSHDSACASA-N -1 1 386.441 0.349 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3cnns3)C2)cc(-c2nnn[n-]2)n1 ZINC001571270632 945638393 /nfs/dbraw/zinc/63/83/93/945638393.db2.gz XEUISVARNXEKJH-BDAKNGLRSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3cnns3)C2)cc(-c2nn[n-]n2)n1 ZINC001571270632 945638396 /nfs/dbraw/zinc/63/83/96/945638396.db2.gz XEUISVARNXEKJH-BDAKNGLRSA-N -1 1 386.445 0.786 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571270620 945638829 /nfs/dbraw/zinc/63/88/29/945638829.db2.gz WXYHJQKJKCRJRT-BXKDBHETSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571270620 945638833 /nfs/dbraw/zinc/63/88/33/945638833.db2.gz WXYHJQKJKCRJRT-BXKDBHETSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CN(C(=O)c2cnsn2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270685 945641258 /nfs/dbraw/zinc/64/12/58/945641258.db2.gz YWJQLHCXIRGCCO-VHSXEESVSA-N -1 1 386.445 0.140 20 0 GCADMM CS(=O)(=O)C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001571270710 945641281 /nfs/dbraw/zinc/64/12/81/945641281.db2.gz ZPPCNGKYIYKUKR-HNNXBMFYSA-N -1 1 386.437 0.706 20 0 GCADMM CS(=O)(=O)C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001571270710 945641288 /nfs/dbraw/zinc/64/12/88/945641288.db2.gz ZPPCNGKYIYKUKR-HNNXBMFYSA-N -1 1 386.437 0.706 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCCO1 ZINC001571272633 945668070 /nfs/dbraw/zinc/66/80/70/945668070.db2.gz GQORAUKCCDQKGY-IHRRRGAJSA-N -1 1 386.460 0.735 20 0 GCADMM COC1CC(C(=O)N2CCC(CN(C)c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571272713 945669133 /nfs/dbraw/zinc/66/91/33/945669133.db2.gz IDUZMACIXQTANM-UHFFFAOYSA-N -1 1 386.460 0.757 20 0 GCADMM COC1CC(C(=O)N2CCC(CN(C)c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571272713 945669138 /nfs/dbraw/zinc/66/91/38/945669138.db2.gz IDUZMACIXQTANM-UHFFFAOYSA-N -1 1 386.460 0.757 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)COC2CCCC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571272812 945671282 /nfs/dbraw/zinc/67/12/82/945671282.db2.gz ITIJIAPGYQPQCO-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCOCC1 ZINC001571272850 945672835 /nfs/dbraw/zinc/67/28/35/945672835.db2.gz JMBZZXRYSURWOL-ZIAGYGMSSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCOCC1 ZINC001571272850 945672841 /nfs/dbraw/zinc/67/28/41/945672841.db2.gz JMBZZXRYSURWOL-ZIAGYGMSSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(C1CCCC1)N1CCC(N(CCO)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571272911 945673632 /nfs/dbraw/zinc/67/36/32/945673632.db2.gz KUKKLGCZQJYZQJ-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM O=C(C1CCCC1)N1CCC(N(CCO)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571272911 945673637 /nfs/dbraw/zinc/67/36/37/945673637.db2.gz KUKKLGCZQJYZQJ-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001571272909 945674066 /nfs/dbraw/zinc/67/40/66/945674066.db2.gz KTPLMKYGZUQXAB-MLGOLLRUSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571272909 945674071 /nfs/dbraw/zinc/67/40/71/945674071.db2.gz KTPLMKYGZUQXAB-MLGOLLRUSA-N -1 1 386.460 0.757 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)C[C@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272920 945675276 /nfs/dbraw/zinc/67/52/76/945675276.db2.gz KYTGFMHXSBCNHG-CHWSQXEVSA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)C[C@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272920 945675286 /nfs/dbraw/zinc/67/52/86/945675286.db2.gz KYTGFMHXSBCNHG-CHWSQXEVSA-N -1 1 386.460 0.906 20 0 GCADMM CO[C@H]1CCC[C@H](C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571272952 945676330 /nfs/dbraw/zinc/67/63/30/945676330.db2.gz LOJMIVWQIDKVIV-JSGCOSHPSA-N -1 1 386.460 0.687 20 0 GCADMM CO[C@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)C ZINC001571273029 945677766 /nfs/dbraw/zinc/67/77/66/945677766.db2.gz NJUZZPPFZDICHU-KSSFIOAISA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)C ZINC001571273029 945677771 /nfs/dbraw/zinc/67/77/71/945677771.db2.gz NJUZZPPFZDICHU-KSSFIOAISA-N -1 1 386.460 0.757 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1CCCCCC1 ZINC001571273115 945679119 /nfs/dbraw/zinc/67/91/19/945679119.db2.gz PNNJNEIYQYYNNY-HIFRSBDPSA-N -1 1 386.460 0.683 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1CCCCCC1 ZINC001571273115 945679122 /nfs/dbraw/zinc/67/91/22/945679122.db2.gz PNNJNEIYQYYNNY-HIFRSBDPSA-N -1 1 386.460 0.683 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001571273102 945679298 /nfs/dbraw/zinc/67/92/98/945679298.db2.gz PGKRRDWBRUMIIK-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@@H]3CCCO3)[C@H]2CC)n1 ZINC001571273132 945679371 /nfs/dbraw/zinc/67/93/71/945679371.db2.gz PWUWUYMTGIIYGO-YUTCNCBUSA-N -1 1 386.460 0.872 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@@H]3CCCO3)[C@H]2CC)n1 ZINC001571273132 945679377 /nfs/dbraw/zinc/67/93/77/945679377.db2.gz PWUWUYMTGIIYGO-YUTCNCBUSA-N -1 1 386.460 0.872 20 0 GCADMM CN(C(=O)C[C@@H]1CC(C)(C)CO1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273155 945680218 /nfs/dbraw/zinc/68/02/18/945680218.db2.gz QTCJZJYFXLDVOG-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273108 945680395 /nfs/dbraw/zinc/68/03/95/945680395.db2.gz PLNBICUASHLRIW-UONOGXRCSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273108 945680399 /nfs/dbraw/zinc/68/03/99/945680399.db2.gz PLNBICUASHLRIW-UONOGXRCSA-N -1 1 386.460 0.758 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C[C@H]3CCOC3)C(C)(C)C2)n1 ZINC001571273189 945682194 /nfs/dbraw/zinc/68/21/94/945682194.db2.gz SECYXSYBSFRKRV-TZMCWYRMSA-N -1 1 386.460 0.723 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[C@H]3CCOC3)C(C)(C)C2)n1 ZINC001571273189 945682197 /nfs/dbraw/zinc/68/21/97/945682197.db2.gz SECYXSYBSFRKRV-TZMCWYRMSA-N -1 1 386.460 0.723 20 0 GCADMM CO[C@H](C)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571273323 945685534 /nfs/dbraw/zinc/68/55/34/945685534.db2.gz VMPXJQGLBBWQKJ-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@H](C)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571273323 945685539 /nfs/dbraw/zinc/68/55/39/945685539.db2.gz VMPXJQGLBBWQKJ-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@]3(C)CCOC3)C2)n1 ZINC001571273386 945685792 /nfs/dbraw/zinc/68/57/92/945685792.db2.gz WPEXRIPFQPXMPY-AEDCBLDQSA-N -1 1 386.460 0.587 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@]3(C)CCOC3)C2)n1 ZINC001571273386 945685802 /nfs/dbraw/zinc/68/58/02/945685802.db2.gz WPEXRIPFQPXMPY-AEDCBLDQSA-N -1 1 386.460 0.587 20 0 GCADMM O=C(NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCOCC1 ZINC001571273398 945687842 /nfs/dbraw/zinc/68/78/42/945687842.db2.gz WYGSBBZCKCTPFY-ZIAGYGMSSA-N -1 1 386.460 0.806 20 0 GCADMM O=C(NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCOCC1 ZINC001571273398 945687846 /nfs/dbraw/zinc/68/78/46/945687846.db2.gz WYGSBBZCKCTPFY-ZIAGYGMSSA-N -1 1 386.460 0.806 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)CC3CCCC3)[C@H](O)C2)n1 ZINC001571273512 945690335 /nfs/dbraw/zinc/69/03/35/945690335.db2.gz YVGNIWCCSBOHNJ-UKRRQHHQSA-N -1 1 386.460 0.601 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)CC3CCCC3)[C@H](O)C2)n1 ZINC001571273512 945690341 /nfs/dbraw/zinc/69/03/41/945690341.db2.gz YVGNIWCCSBOHNJ-UKRRQHHQSA-N -1 1 386.460 0.601 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1c(F)cncc1F ZINC001571275359 945705021 /nfs/dbraw/zinc/70/50/21/945705021.db2.gz SMONSMQFNANIAO-KYZUINATSA-N -1 1 387.354 0.372 20 0 GCADMM CCOC1CC(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571275657 945711112 /nfs/dbraw/zinc/71/11/12/945711112.db2.gz ADSULTYUWBOREG-MOKVOYLWSA-N -1 1 386.460 0.947 20 0 GCADMM CCOC1CC(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571275657 945711122 /nfs/dbraw/zinc/71/11/22/945711122.db2.gz ADSULTYUWBOREG-MOKVOYLWSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CO[C@H](CCC(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571275752 945713343 /nfs/dbraw/zinc/71/33/43/945713343.db2.gz BUTURHOKILMUHH-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CC1(C)CO[C@H](CCC(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571275752 945713350 /nfs/dbraw/zinc/71/33/50/945713350.db2.gz BUTURHOKILMUHH-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC001571275709 945714471 /nfs/dbraw/zinc/71/44/71/945714471.db2.gz BEFZPONSJMLLBH-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC001571275709 945714478 /nfs/dbraw/zinc/71/44/78/945714478.db2.gz BEFZPONSJMLLBH-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)CC[C@@H](C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571275800 945716805 /nfs/dbraw/zinc/71/68/05/945716805.db2.gz CRCWIZFRIBNYRB-CHWSQXEVSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC[C@@H](C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571275800 945716811 /nfs/dbraw/zinc/71/68/11/945716811.db2.gz CRCWIZFRIBNYRB-CHWSQXEVSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571275875 945719010 /nfs/dbraw/zinc/71/90/10/945719010.db2.gz DWCOZWAWVUWITN-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571275875 945719014 /nfs/dbraw/zinc/71/90/14/945719014.db2.gz DWCOZWAWVUWITN-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)CCC2CCC2)CCO1 ZINC001571275947 945719814 /nfs/dbraw/zinc/71/98/14/945719814.db2.gz GGTPUSOFFQGUQL-GXTWGEPZSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(CCO)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001571276069 945722614 /nfs/dbraw/zinc/72/26/14/945722614.db2.gz GUPVJDBQQMGRNE-TZMCWYRMSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(CCO)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001571276069 945722621 /nfs/dbraw/zinc/72/26/21/945722621.db2.gz GUPVJDBQQMGRNE-TZMCWYRMSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)CO[C@@H](CC(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571276640 945734085 /nfs/dbraw/zinc/73/40/85/945734085.db2.gz KAIKIOYTCUZEMW-OLZOCXBDSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@]1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001571277513 945742630 /nfs/dbraw/zinc/74/26/30/945742630.db2.gz LFDBXCXCNRRLMQ-ACJLOTCBSA-N -1 1 386.460 0.546 20 0 GCADMM CC1(C)CC[C@H](CNC(=O)[C@H]2CCCO2)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571277467 945743655 /nfs/dbraw/zinc/74/36/55/945743655.db2.gz KOSGESRSLZJGMP-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@H](CNC(=O)[C@H]2CCCO2)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571277467 945743662 /nfs/dbraw/zinc/74/36/62/945743662.db2.gz KOSGESRSLZJGMP-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM 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FYDKPOJILYNYOV-GFCCVEGCSA-N -1 1 388.409 0.521 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573463142 945949038 /nfs/dbraw/zinc/94/90/38/945949038.db2.gz RDCHUHZITHEVGD-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573463142 945949045 /nfs/dbraw/zinc/94/90/45/945949045.db2.gz RDCHUHZITHEVGD-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571286513 945950279 /nfs/dbraw/zinc/95/02/79/945950279.db2.gz JSTAAAJJGLHYND-NWDGAFQWSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571286513 945950290 /nfs/dbraw/zinc/95/02/90/945950290.db2.gz JSTAAAJJGLHYND-NWDGAFQWSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571286514 945950335 /nfs/dbraw/zinc/95/03/35/945950335.db2.gz JSTAAAJJGLHYND-RYUDHWBXSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571286514 945950341 /nfs/dbraw/zinc/95/03/41/945950341.db2.gz JSTAAAJJGLHYND-RYUDHWBXSA-N -1 1 388.432 0.283 20 0 GCADMM O=C(CC1OCCCO1)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286568 945953020 /nfs/dbraw/zinc/95/30/20/945953020.db2.gz LGXCIQIDRQZUKH-NWDGAFQWSA-N -1 1 388.432 0.507 20 0 GCADMM O=C(CC1OCCCO1)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286568 945953031 /nfs/dbraw/zinc/95/30/31/945953031.db2.gz LGXCIQIDRQZUKH-NWDGAFQWSA-N -1 1 388.432 0.507 20 0 GCADMM O=C(CC1OCCCO1)N[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286587 945953753 /nfs/dbraw/zinc/95/37/53/945953753.db2.gz LPRDDDRGDAURPH-NEPJUHHUSA-N -1 1 388.432 0.649 20 0 GCADMM O=C(CC1OCCCO1)N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286587 945953765 /nfs/dbraw/zinc/95/37/65/945953765.db2.gz LPRDDDRGDAURPH-NEPJUHHUSA-N -1 1 388.432 0.649 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573463365 945955180 /nfs/dbraw/zinc/95/51/80/945955180.db2.gz VURZFPYODPMDNI-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573463365 945955191 /nfs/dbraw/zinc/95/51/91/945955191.db2.gz VURZFPYODPMDNI-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571286769 945957898 /nfs/dbraw/zinc/95/78/98/945957898.db2.gz QZRNBGAQKSDNSX-BXUZGUMPSA-N -1 1 388.432 0.111 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571286769 945957904 /nfs/dbraw/zinc/95/79/04/945957904.db2.gz QZRNBGAQKSDNSX-BXUZGUMPSA-N -1 1 388.432 0.111 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573463693 945958428 /nfs/dbraw/zinc/95/84/28/945958428.db2.gz ZLHOBWMQEPMXPO-LBPRGKRZSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573463693 945958434 /nfs/dbraw/zinc/95/84/34/945958434.db2.gz ZLHOBWMQEPMXPO-LBPRGKRZSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573463604 945958634 /nfs/dbraw/zinc/95/86/34/945958634.db2.gz YSNGLLIUVCMRAF-SECBINFHSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573463604 945958642 /nfs/dbraw/zinc/95/86/42/945958642.db2.gz YSNGLLIUVCMRAF-SECBINFHSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573463652 945959267 /nfs/dbraw/zinc/95/92/67/945959267.db2.gz ZEOMJRUANMNVMY-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573463652 945959270 /nfs/dbraw/zinc/95/92/70/945959270.db2.gz ZEOMJRUANMNVMY-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM Cc1cc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)ccc1S(N)(=O)=O ZINC001571286922 945962332 /nfs/dbraw/zinc/96/23/32/945962332.db2.gz VUPLWWDRCGKJKD-UHFFFAOYSA-N -1 1 388.413 0.539 20 0 GCADMM Cc1cc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)ccc1S(N)(=O)=O ZINC001571286922 945962340 /nfs/dbraw/zinc/96/23/40/945962340.db2.gz VUPLWWDRCGKJKD-UHFFFAOYSA-N -1 1 388.413 0.539 20 0 GCADMM CO[C@H]1COCC[C@H]1CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571286947 945962678 /nfs/dbraw/zinc/96/26/78/945962678.db2.gz WNEKKNFRSQSERA-FMSGJZPZSA-N -1 1 388.432 0.157 20 0 GCADMM CO[C@H]1COCC[C@H]1CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571286947 945962684 /nfs/dbraw/zinc/96/26/84/945962684.db2.gz WNEKKNFRSQSERA-FMSGJZPZSA-N -1 1 388.432 0.157 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573464276 945963478 /nfs/dbraw/zinc/96/34/78/945963478.db2.gz JAOMWELODZMQCT-HAQNSBGRSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573464276 945963490 /nfs/dbraw/zinc/96/34/90/945963490.db2.gz JAOMWELODZMQCT-HAQNSBGRSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573464257 945963713 /nfs/dbraw/zinc/96/37/13/945963713.db2.gz IOQXZGCVYPKIDI-ZCFIWIBFSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573464257 945963724 /nfs/dbraw/zinc/96/37/24/945963724.db2.gz IOQXZGCVYPKIDI-ZCFIWIBFSA-N -1 1 386.869 0.808 20 0 GCADMM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571286965 945964668 /nfs/dbraw/zinc/96/46/68/945964668.db2.gz WVNAYTOHSCOUPV-UHFFFAOYSA-N -1 1 388.413 0.690 20 0 GCADMM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571286965 945964678 /nfs/dbraw/zinc/96/46/78/945964678.db2.gz WVNAYTOHSCOUPV-UHFFFAOYSA-N -1 1 388.413 0.690 20 0 GCADMM O=C([C@H]1COCCO1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571286974 945965673 /nfs/dbraw/zinc/96/56/73/945965673.db2.gz XBIMYEOEJMFEFY-CHWSQXEVSA-N -1 1 388.432 0.255 20 0 GCADMM O=C([C@H]1COCCO1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571286974 945965679 /nfs/dbraw/zinc/96/56/79/945965679.db2.gz XBIMYEOEJMFEFY-CHWSQXEVSA-N -1 1 388.432 0.255 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573464919 945969594 /nfs/dbraw/zinc/96/95/94/945969594.db2.gz RQLMUBCCUXBPJP-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573464919 945969606 /nfs/dbraw/zinc/96/96/06/945969606.db2.gz RQLMUBCCUXBPJP-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573467307 945977843 /nfs/dbraw/zinc/97/78/43/945977843.db2.gz BHDWZZALKPUFKI-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573467307 945977850 /nfs/dbraw/zinc/97/78/50/945977850.db2.gz BHDWZZALKPUFKI-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573467783 945984419 /nfs/dbraw/zinc/98/44/19/945984419.db2.gz IAEBZUXHNWBERP-MFAVDMRSSA-N -1 1 378.462 0.558 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573468154 945991959 /nfs/dbraw/zinc/99/19/59/945991959.db2.gz LFBMNZBDKNGKIS-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573468154 945991967 /nfs/dbraw/zinc/99/19/67/945991967.db2.gz LFBMNZBDKNGKIS-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM Cc1cc(N2CCSCC2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822207445 945993655 /nfs/dbraw/zinc/99/36/55/945993655.db2.gz WPGQDANRMXJFDQ-UHFFFAOYSA-N -1 1 385.457 0.959 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573468392 945995501 /nfs/dbraw/zinc/99/55/01/945995501.db2.gz NPCVMCUROGSLTN-QFWMXSHPSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573468392 945995510 /nfs/dbraw/zinc/99/55/10/945995510.db2.gz NPCVMCUROGSLTN-QFWMXSHPSA-N -1 1 387.448 0.363 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1COCCO1 ZINC001571288973 945995661 /nfs/dbraw/zinc/99/56/61/945995661.db2.gz VQENMTMWWGOGIE-OBJOEFQTSA-N -1 1 388.432 0.159 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1COCCO1 ZINC001571288973 945995668 /nfs/dbraw/zinc/99/56/68/945995668.db2.gz VQENMTMWWGOGIE-OBJOEFQTSA-N -1 1 388.432 0.159 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573468877 945999387 /nfs/dbraw/zinc/99/93/87/945999387.db2.gz RDFZSVWUSPLOBL-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573468877 945999392 /nfs/dbraw/zinc/99/93/92/945999392.db2.gz RDFZSVWUSPLOBL-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573469241 946003307 /nfs/dbraw/zinc/00/33/07/946003307.db2.gz TZYPXXAZUTWXGD-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573469241 946003316 /nfs/dbraw/zinc/00/33/16/946003316.db2.gz TZYPXXAZUTWXGD-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573469406 946005841 /nfs/dbraw/zinc/00/58/41/946005841.db2.gz VHVNPDLLAVDZNP-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573469406 946005854 /nfs/dbraw/zinc/00/58/54/946005854.db2.gz VHVNPDLLAVDZNP-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM Cc1nnc(CC(=O)N2CCC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)[nH]1 ZINC001571289457 946006036 /nfs/dbraw/zinc/00/60/36/946006036.db2.gz FAMIFDTVTXKWNL-JTQLQIEISA-N -1 1 388.461 0.704 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573469988 946014896 /nfs/dbraw/zinc/01/48/96/946014896.db2.gz YWXNNKIGJNPOEX-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573469988 946014909 /nfs/dbraw/zinc/01/49/09/946014909.db2.gz YWXNNKIGJNPOEX-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(CCO)C2CCN(C(=O)C(C)C)CC2)n1 ZINC001571289712 946015555 /nfs/dbraw/zinc/01/55/55/946015555.db2.gz KWZBIVBKAOWSPQ-UHFFFAOYSA-N -1 1 388.476 0.665 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(CCO)C2CCN(C(=O)C(C)C)CC2)n1 ZINC001571289712 946015567 /nfs/dbraw/zinc/01/55/67/946015567.db2.gz KWZBIVBKAOWSPQ-UHFFFAOYSA-N -1 1 388.476 0.665 20 0 GCADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3nnn(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571289819 946021174 /nfs/dbraw/zinc/02/11/74/946021174.db2.gz NECKVOYPWOYWQX-JTQLQIEISA-N -1 1 388.461 0.785 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573470368 946022820 /nfs/dbraw/zinc/02/28/20/946022820.db2.gz DFICPLAASSAZKC-JQWIXIFHSA-N -1 1 392.489 0.583 20 0 GCADMM Cc1nsc(N(C)C[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)c1-c1nn[n-]n1 ZINC001571290024 946027027 /nfs/dbraw/zinc/02/70/27/946027027.db2.gz SVRIEDQUGDEELC-SNVBAGLBSA-N -1 1 388.461 0.738 20 0 GCADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)c1cc[nH]c1C ZINC001571290236 946035522 /nfs/dbraw/zinc/03/55/22/946035522.db2.gz YGOZFNNTTCXWFR-VXGBXAGGSA-N -1 1 388.457 0.902 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1Cl ZINC001571290309 946039435 /nfs/dbraw/zinc/03/94/35/946039435.db2.gz ADGVVEQXPQXXIC-SECBINFHSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1Cl ZINC001571290309 946039451 /nfs/dbraw/zinc/03/94/51/946039451.db2.gz ADGVVEQXPQXXIC-SECBINFHSA-N -1 1 388.823 0.442 20 0 GCADMM COc1ncc(NC(=O)CCNC(=O)OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC001571290477 946043546 /nfs/dbraw/zinc/04/35/46/946043546.db2.gz GFSUNKCIGODSEQ-UHFFFAOYSA-N -1 1 389.294 0.887 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571290465 946043588 /nfs/dbraw/zinc/04/35/88/946043588.db2.gz FZPMSJPNMMKLEF-PSASIEDQSA-N -1 1 388.823 0.038 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573471033 946043720 /nfs/dbraw/zinc/04/37/20/946043720.db2.gz LTQLODJKJZZGSC-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573471033 946043734 /nfs/dbraw/zinc/04/37/34/946043734.db2.gz LTQLODJKJZZGSC-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573471234 946046383 /nfs/dbraw/zinc/04/63/83/946046383.db2.gz NHXWFRRAXPZSIL-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573471234 946046398 /nfs/dbraw/zinc/04/63/98/946046398.db2.gz NHXWFRRAXPZSIL-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CCn1ncc(Cl)c1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571290572 946048188 /nfs/dbraw/zinc/04/81/88/946048188.db2.gz JANMWTWGGKRVAL-UHFFFAOYSA-N -1 1 388.823 0.489 20 0 GCADMM CN(C(=O)c1cnn(C)c1Cl)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290763 946053639 /nfs/dbraw/zinc/05/36/39/946053639.db2.gz OEVRQBXIOIBAOY-SECBINFHSA-N -1 1 388.823 0.395 20 0 GCADMM CN(C(=O)c1cnn(C)c1Cl)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290763 946053645 /nfs/dbraw/zinc/05/36/45/946053645.db2.gz OEVRQBXIOIBAOY-SECBINFHSA-N -1 1 388.823 0.395 20 0 GCADMM Cn1cc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(Cl)n1 ZINC001571290698 946053671 /nfs/dbraw/zinc/05/36/71/946053671.db2.gz MFFWYTHIRHWGKS-SECBINFHSA-N -1 1 388.823 0.300 20 0 GCADMM CCc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571290834 946056795 /nfs/dbraw/zinc/05/67/95/946056795.db2.gz QLGXWETZJYUEDP-MRVPVSSYSA-N -1 1 388.823 0.604 20 0 GCADMM CCc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571290834 946056808 /nfs/dbraw/zinc/05/68/08/946056808.db2.gz QLGXWETZJYUEDP-MRVPVSSYSA-N -1 1 388.823 0.604 20 0 GCADMM Cn1c(Cl)ncc1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571291003 946062260 /nfs/dbraw/zinc/06/22/60/946062260.db2.gz XLPAPMPYPQCVBF-UHFFFAOYSA-N -1 1 388.823 0.396 20 0 GCADMM Cn1c(Cl)ncc1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571291003 946062278 /nfs/dbraw/zinc/06/22/78/946062278.db2.gz XLPAPMPYPQCVBF-UHFFFAOYSA-N -1 1 388.823 0.396 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1cnn(C)c1Cl ZINC001571291009 946064317 /nfs/dbraw/zinc/06/43/17/946064317.db2.gz XXSSNZKSOWQPAE-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1cnn(C)c1Cl ZINC001571291009 946064329 /nfs/dbraw/zinc/06/43/29/946064329.db2.gz XXSSNZKSOWQPAE-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573472362 946064445 /nfs/dbraw/zinc/06/44/45/946064445.db2.gz VTHUKRDKODESPH-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573472362 946064456 /nfs/dbraw/zinc/06/44/56/946064456.db2.gz VTHUKRDKODESPH-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001571291018 946066759 /nfs/dbraw/zinc/06/67/59/946066759.db2.gz YFDGNUZPDAGREE-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001571291018 946066778 /nfs/dbraw/zinc/06/67/78/946066778.db2.gz YFDGNUZPDAGREE-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001571291205 946071420 /nfs/dbraw/zinc/07/14/20/946071420.db2.gz GFBMPZKAVRWWFD-UHFFFAOYSA-N -1 1 389.397 0.099 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001571291205 946071429 /nfs/dbraw/zinc/07/14/29/946071429.db2.gz GFBMPZKAVRWWFD-UHFFFAOYSA-N -1 1 389.397 0.099 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573475199 946096705 /nfs/dbraw/zinc/09/67/05/946096705.db2.gz QGPHCPQJMVPYQU-YNKQFZHNSA-N -1 1 399.459 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573475199 946096721 /nfs/dbraw/zinc/09/67/21/946096721.db2.gz QGPHCPQJMVPYQU-YNKQFZHNSA-N -1 1 399.459 0.222 20 0 GCADMM O=C([C@H]1CCc2cccnc21)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571293135 946096933 /nfs/dbraw/zinc/09/69/33/946096933.db2.gz AHSXCYAELYHXJQ-IHRRRGAJSA-N -1 1 389.423 0.571 20 0 GCADMM O=C([C@H]1CCc2cccnc21)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571293135 946096946 /nfs/dbraw/zinc/09/69/46/946096946.db2.gz AHSXCYAELYHXJQ-IHRRRGAJSA-N -1 1 389.423 0.571 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573475192 946098696 /nfs/dbraw/zinc/09/86/96/946098696.db2.gz QEKIOYNTQQMNJW-NTZNESFSSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573475192 946098706 /nfs/dbraw/zinc/09/87/06/946098706.db2.gz QEKIOYNTQQMNJW-NTZNESFSSA-N -1 1 387.448 0.078 20 0 GCADMM Cc1nsc(NC[C@H]2CN(C(=O)c3cn[nH]c3)CCCO2)c1-c1nn[n-]n1 ZINC001571293535 946107303 /nfs/dbraw/zinc/10/73/03/946107303.db2.gz KNKRWTIUVISSNV-NSHDSACASA-N -1 1 389.445 0.698 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)nn1C ZINC001571293788 946115719 /nfs/dbraw/zinc/11/57/19/946115719.db2.gz RQQPTKCINYGLFD-SECBINFHSA-N -1 1 389.445 0.700 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573476373 946117931 /nfs/dbraw/zinc/11/79/31/946117931.db2.gz GBIQVRSWMQDBKW-BQBZGAKWSA-N -1 1 386.869 0.442 20 0 GCADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3nnn(C)n3)CC2)c1-c1nn[n-]n1 ZINC001571293871 946118750 /nfs/dbraw/zinc/11/87/50/946118750.db2.gz UMPAOSNIRDUYPB-KYZUINATSA-N -1 1 389.449 0.308 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573476856 946125780 /nfs/dbraw/zinc/12/57/80/946125780.db2.gz JZNZYNZRGNGIPI-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573476856 946125787 /nfs/dbraw/zinc/12/57/87/946125787.db2.gz JZNZYNZRGNGIPI-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573477253 946130772 /nfs/dbraw/zinc/13/07/72/946130772.db2.gz NLAQKLMZTAYILC-BJOHPYRUSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)CC(C)C ZINC001573477341 946132973 /nfs/dbraw/zinc/13/29/73/946132973.db2.gz OTTQDLNTOJVYNX-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)CC(C)C ZINC001573477341 946132977 /nfs/dbraw/zinc/13/29/77/946132977.db2.gz OTTQDLNTOJVYNX-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573477377 946134422 /nfs/dbraw/zinc/13/44/22/946134422.db2.gz PJOVISBDCLXYOI-AMWJZZMOSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573477377 946134428 /nfs/dbraw/zinc/13/44/28/946134428.db2.gz PJOVISBDCLXYOI-AMWJZZMOSA-N -1 1 385.432 0.021 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1cc(Cl)c[nH]1 ZINC001571294418 946134613 /nfs/dbraw/zinc/13/46/13/946134613.db2.gz FKDGPXNRZHCZMZ-GXSJLCMTSA-N -1 1 389.807 0.008 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ccn(C(F)F)n1 ZINC001571294385 946134713 /nfs/dbraw/zinc/13/47/13/946134713.db2.gz DAXUYMKMPPFEEP-RKDXNWHRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ccn(C(F)F)n1 ZINC001571294385 946134717 /nfs/dbraw/zinc/13/47/17/946134717.db2.gz DAXUYMKMPPFEEP-RKDXNWHRSA-N -1 1 390.358 0.963 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573477384 946134889 /nfs/dbraw/zinc/13/48/89/946134889.db2.gz POMCBAFJMMBDBQ-KOLCDFICSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573477384 946134894 /nfs/dbraw/zinc/13/48/94/946134894.db2.gz POMCBAFJMMBDBQ-KOLCDFICSA-N -1 1 375.437 0.124 20 0 GCADMM CN(C(=O)c1cc(C(F)F)n[nH]1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571294582 946138156 /nfs/dbraw/zinc/13/81/56/946138156.db2.gz JRDTZFIWIXVGGS-MRVPVSSYSA-N -1 1 390.358 0.668 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C(F)F)c1 ZINC001571294575 946139012 /nfs/dbraw/zinc/13/90/12/946139012.db2.gz JPVSTGXUQMTQRL-JTQLQIEISA-N -1 1 390.358 0.647 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C(F)F)c1 ZINC001571294575 946139018 /nfs/dbraw/zinc/13/90/18/946139018.db2.gz JPVSTGXUQMTQRL-JTQLQIEISA-N -1 1 390.358 0.647 20 0 GCADMM CN(C(=O)c1ccn(C(F)F)n1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571294658 946140700 /nfs/dbraw/zinc/14/07/00/946140700.db2.gz KWRBNMBLEJVXOG-SECBINFHSA-N -1 1 390.358 0.599 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573477621 946141236 /nfs/dbraw/zinc/14/12/36/946141236.db2.gz SWTGSKPPPWTEIH-RNFRBKRXSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573477621 946141243 /nfs/dbraw/zinc/14/12/43/946141243.db2.gz SWTGSKPPPWTEIH-RNFRBKRXSA-N -1 1 386.869 0.665 20 0 GCADMM C[C@H](C(=O)N[C@H](CC(N)=O)c1ccccc1Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001571294766 946142873 /nfs/dbraw/zinc/14/28/73/946142873.db2.gz LZQQOVUSSFGSKK-LDYMZIIASA-N -1 1 389.807 0.406 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573477811 946142943 /nfs/dbraw/zinc/14/29/43/946142943.db2.gz UHPBHMIJACNWDE-VIFPVBQESA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573478146 946145457 /nfs/dbraw/zinc/14/54/57/946145457.db2.gz VOADVWDTAZPRBE-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573478146 946145467 /nfs/dbraw/zinc/14/54/67/946145467.db2.gz VOADVWDTAZPRBE-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cc(Cl)no3)C2)n1 ZINC001571294784 946145769 /nfs/dbraw/zinc/14/57/69/946145769.db2.gz MDNOOLYIQAHUTI-QMMMGPOBSA-N -1 1 389.807 0.869 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cc(Cl)no3)C2)n1 ZINC001571294784 946145774 /nfs/dbraw/zinc/14/57/74/946145774.db2.gz MDNOOLYIQAHUTI-QMMMGPOBSA-N -1 1 389.807 0.869 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)CC(F)(F)C1 ZINC001571294833 946145876 /nfs/dbraw/zinc/14/58/76/946145876.db2.gz NFVAAJQDTBXINE-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)CC(F)(F)C1 ZINC001571294833 946145885 /nfs/dbraw/zinc/14/58/85/946145885.db2.gz NFVAAJQDTBXINE-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001573478491 946147261 /nfs/dbraw/zinc/14/72/61/946147261.db2.gz XAJOWQKEAAESTK-AMWJZZMOSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001573478491 946147267 /nfs/dbraw/zinc/14/72/67/946147267.db2.gz XAJOWQKEAAESTK-AMWJZZMOSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CC(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573478488 946147628 /nfs/dbraw/zinc/14/76/28/946147628.db2.gz XABDIXOAURUOPQ-PUSIOWJLSA-N -1 1 378.462 0.463 20 0 GCADMM O=C(c1nc(Cl)cs1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571294892 946147915 /nfs/dbraw/zinc/14/79/15/946147915.db2.gz PGOMIMAHVAKTDO-YUMQZZPRSA-N -1 1 389.832 0.870 20 0 GCADMM O=C(c1nc(Cl)cs1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571294892 946147919 /nfs/dbraw/zinc/14/79/19/946147919.db2.gz PGOMIMAHVAKTDO-YUMQZZPRSA-N -1 1 389.832 0.870 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccn(C(F)F)n1 ZINC001571295086 946152292 /nfs/dbraw/zinc/15/22/92/946152292.db2.gz SKNMTHVIBZBNJD-VIFPVBQESA-N -1 1 390.358 0.647 20 0 GCADMM O=S1(=O)CCCN1C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571295136 946155186 /nfs/dbraw/zinc/15/51/86/946155186.db2.gz URHREJOKBMYRQV-UHFFFAOYSA-N -1 1 389.894 0.981 20 0 GCADMM O=S1(=O)CCCN1C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571295136 946155191 /nfs/dbraw/zinc/15/51/91/946155191.db2.gz URHREJOKBMYRQV-UHFFFAOYSA-N -1 1 389.894 0.981 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1ccc(Cl)[nH]1 ZINC001571295181 946156215 /nfs/dbraw/zinc/15/62/15/946156215.db2.gz VJOLDFKZHQMVQJ-KCJUWKMLSA-N -1 1 389.807 0.008 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccc(Cl)[nH]1 ZINC001571295181 946156224 /nfs/dbraw/zinc/15/62/24/946156224.db2.gz VJOLDFKZHQMVQJ-KCJUWKMLSA-N -1 1 389.807 0.008 20 0 GCADMM O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCC(=O)NC1 ZINC001571295250 946156531 /nfs/dbraw/zinc/15/65/31/946156531.db2.gz QZJRCYMARCDKHI-NWDGAFQWSA-N -1 1 389.485 0.535 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001573479640 946166303 /nfs/dbraw/zinc/16/63/03/946166303.db2.gz GOTIRVSXDAUKTA-SECBINFHSA-N -1 1 378.462 0.607 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573479797 946168843 /nfs/dbraw/zinc/16/88/43/946168843.db2.gz HJSALQBNHRCXPM-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C1CCC(F)CC1 ZINC001571295682 946171001 /nfs/dbraw/zinc/17/10/01/946171001.db2.gz CBTROYNNHPNVCC-GVOSGWPFSA-N -1 1 390.423 0.505 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C1CCC(F)CC1 ZINC001571295682 946171004 /nfs/dbraw/zinc/17/10/04/946171004.db2.gz CBTROYNNHPNVCC-GVOSGWPFSA-N -1 1 390.423 0.505 20 0 GCADMM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571295672 946171156 /nfs/dbraw/zinc/17/11/56/946171156.db2.gz BRHAEVKCFBTPAR-NSHDSACASA-N -1 1 390.400 0.460 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001571295785 946174164 /nfs/dbraw/zinc/17/41/64/946174164.db2.gz FYFCFBBHXBNZAO-GTNSWQLSSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)C2(CF)CCC2)CCO1 ZINC001571295775 946175125 /nfs/dbraw/zinc/17/51/25/946175125.db2.gz FWCXEAMBPWNLJR-AAEUAGOBSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2(CF)CCC2)CCO1 ZINC001571295775 946175132 /nfs/dbraw/zinc/17/51/32/946175132.db2.gz FWCXEAMBPWNLJR-AAEUAGOBSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H]1CCCC[C@H]1CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571295879 946177394 /nfs/dbraw/zinc/17/73/94/946177394.db2.gz IKXIPUMZGIALKZ-RYUDHWBXSA-N -1 1 390.448 0.645 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573480883 946177489 /nfs/dbraw/zinc/17/74/89/946177489.db2.gz MIQDJYVOCOUDQT-LURJTMIESA-N -1 1 384.853 0.562 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573480883 946177493 /nfs/dbraw/zinc/17/74/93/946177493.db2.gz MIQDJYVOCOUDQT-LURJTMIESA-N -1 1 384.853 0.562 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573481410 946181840 /nfs/dbraw/zinc/18/18/40/946181840.db2.gz PLUJIPIRJOAKKA-SNVBAGLBSA-N -1 1 392.489 0.489 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571296110 946184576 /nfs/dbraw/zinc/18/45/76/946184576.db2.gz OHJVSXASIUKAQH-VXGBXAGGSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571296110 946184582 /nfs/dbraw/zinc/18/45/82/946184582.db2.gz OHJVSXASIUKAQH-VXGBXAGGSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCC[C@H](C)C1 ZINC001571296118 946184598 /nfs/dbraw/zinc/18/45/98/946184598.db2.gz OJCTUJDCLXBGJW-SRVKXCTJSA-N -1 1 390.448 0.643 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571296070 946185381 /nfs/dbraw/zinc/18/53/81/946185381.db2.gz MQZDCWXCYVTKLO-YVEFUNNKSA-N -1 1 390.423 0.460 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571296070 946185390 /nfs/dbraw/zinc/18/53/90/946185390.db2.gz MQZDCWXCYVTKLO-YVEFUNNKSA-N -1 1 390.423 0.460 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573482020 946188676 /nfs/dbraw/zinc/18/86/76/946188676.db2.gz SYFHYYCQPOFBPF-SNVBAGLBSA-N -1 1 392.489 0.997 20 0 GCADMM CCc1nc(NCC2CC(NC(=O)[C@@]3(F)CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571296392 946193709 /nfs/dbraw/zinc/19/37/09/946193709.db2.gz WXTBCOSEAFLRBO-NQMJSUOBSA-N -1 1 390.423 0.654 20 0 GCADMM CCc1nc(NCC2CC(NC(=O)[C@@]3(F)CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571296392 946193712 /nfs/dbraw/zinc/19/37/12/946193712.db2.gz WXTBCOSEAFLRBO-NQMJSUOBSA-N -1 1 390.423 0.654 20 0 GCADMM O=C(N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001571296406 946193841 /nfs/dbraw/zinc/19/38/41/946193841.db2.gz XAZFQCOFHWGSSM-YVEFUNNKSA-N -1 1 390.423 0.390 20 0 GCADMM Cc1nc(C(=O)NC[C@H]2COCCN2c2snc(C)c2-c2nn[n-]n2)co1 ZINC001571296433 946194322 /nfs/dbraw/zinc/19/43/22/946194322.db2.gz XOHHIXFMMTWPOI-JTQLQIEISA-N -1 1 390.429 0.563 20 0 GCADMM O=C(N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@]1(F)CCOC1 ZINC001571296404 946194500 /nfs/dbraw/zinc/19/45/00/946194500.db2.gz XAZFQCOFHWGSSM-SJCJKPOMSA-N -1 1 390.423 0.390 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@H](NC(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001571296425 946194704 /nfs/dbraw/zinc/19/47/04/946194704.db2.gz XMMKNNKBDAWPJX-PRXAMGSTSA-N -1 1 390.423 0.933 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@H](NC(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001571296425 946194709 /nfs/dbraw/zinc/19/47/09/946194709.db2.gz XMMKNNKBDAWPJX-PRXAMGSTSA-N -1 1 390.423 0.933 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573482289 946194783 /nfs/dbraw/zinc/19/47/83/946194783.db2.gz WCSUQUNLSUTIBV-WCQYABFASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573482289 946194792 /nfs/dbraw/zinc/19/47/92/946194792.db2.gz WCSUQUNLSUTIBV-WCQYABFASA-N -1 1 387.448 0.047 20 0 GCADMM CC1(C)OC[C@@H](CCn2cc(CN3CCOCC3)cc(-c3nn[n-]n3)c2=O)O1 ZINC001571296515 946195884 /nfs/dbraw/zinc/19/58/84/946195884.db2.gz ZTSVZVYONJUXLN-CQSZACIVSA-N -1 1 390.444 0.402 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571296461 946196069 /nfs/dbraw/zinc/19/60/69/946196069.db2.gz YQLIQSQLPLXDSE-DLBZAZTESA-N -1 1 390.423 0.744 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571296461 946196075 /nfs/dbraw/zinc/19/60/75/946196075.db2.gz YQLIQSQLPLXDSE-DLBZAZTESA-N -1 1 390.423 0.744 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573482585 946198013 /nfs/dbraw/zinc/19/80/13/946198013.db2.gz YJBRULVTSWTFDP-ONGXEEELSA-N -1 1 380.478 0.709 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573482569 946198057 /nfs/dbraw/zinc/19/80/57/946198057.db2.gz YCVABXNOKHDRRK-DGCLKSJQSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573482569 946198062 /nfs/dbraw/zinc/19/80/62/946198062.db2.gz YCVABXNOKHDRRK-DGCLKSJQSA-N -1 1 387.448 0.047 20 0 GCADMM Cc1nsc(NC2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)c1-c1nn[n-]n1 ZINC001571297984 946204233 /nfs/dbraw/zinc/20/42/33/946204233.db2.gz GLIAAHCZVBQHBG-LLVKDONJSA-N -1 1 390.473 0.655 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)CN3CCCC3=O)[C@H]2C)c1-c1nn[n-]n1 ZINC001571298212 946208302 /nfs/dbraw/zinc/20/83/02/946208302.db2.gz JTAWOEMJYBQLPW-WDEREUQCSA-N -1 1 390.473 0.655 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573484076 946215763 /nfs/dbraw/zinc/21/57/63/946215763.db2.gz KARXOLCDMAVCPA-DGCLKSJQSA-N -1 1 389.464 0.433 20 0 GCADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571298442 946215778 /nfs/dbraw/zinc/21/57/78/946215778.db2.gz NVTJZRQYZPNDTA-WDEREUQCSA-N -1 1 390.473 0.337 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573484076 946215774 /nfs/dbraw/zinc/21/57/74/946215774.db2.gz KARXOLCDMAVCPA-DGCLKSJQSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573484603 946218256 /nfs/dbraw/zinc/21/82/56/946218256.db2.gz MXZFLHVVYQWVJH-ADEWGFFLSA-N -1 1 392.489 0.853 20 0 GCADMM Cc1nsc(N2CCCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571298470 946219977 /nfs/dbraw/zinc/21/99/77/946219977.db2.gz ONPRABYAEOZWRO-NSHDSACASA-N -1 1 390.473 0.339 20 0 GCADMM Cc1nsc(N[C@@H]2CCCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571298733 946226766 /nfs/dbraw/zinc/22/67/66/946226766.db2.gz QEGBNDKTXRWGQI-HWPZZCPQSA-N -1 1 390.473 0.703 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1occc1Cl ZINC001571298803 946231234 /nfs/dbraw/zinc/23/12/34/946231234.db2.gz DREVYFPUKITMJK-KOLCDFICSA-N -1 1 390.791 0.273 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1occc1Cl ZINC001571298803 946231241 /nfs/dbraw/zinc/23/12/41/946231241.db2.gz DREVYFPUKITMJK-KOLCDFICSA-N -1 1 390.791 0.273 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573485927 946234590 /nfs/dbraw/zinc/23/45/90/946234590.db2.gz AZCBODJOISKCHK-LPBLVHEISA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573485927 946234602 /nfs/dbraw/zinc/23/46/02/946234602.db2.gz AZCBODJOISKCHK-LPBLVHEISA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573486646 946244332 /nfs/dbraw/zinc/24/43/32/946244332.db2.gz HYGALCFECWVSTH-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573486646 946244343 /nfs/dbraw/zinc/24/43/43/946244343.db2.gz HYGALCFECWVSTH-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573486957 946245176 /nfs/dbraw/zinc/24/51/76/946245176.db2.gz JPODRIDYOUBXFJ-DRZSPHRISA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573486957 946245190 /nfs/dbraw/zinc/24/51/90/946245190.db2.gz JPODRIDYOUBXFJ-DRZSPHRISA-N -1 1 387.448 0.268 20 0 GCADMM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)C2)c1-c1nn[n-]n1 ZINC001571299293 946246330 /nfs/dbraw/zinc/24/63/30/946246330.db2.gz VUOOKKDLTDFKMQ-GARJFASQSA-N -1 1 390.473 0.465 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573487332 946251972 /nfs/dbraw/zinc/25/19/72/946251972.db2.gz NKPYDEMKVBJTNT-AWEZNQCLSA-N -1 1 389.464 0.468 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573487332 946251982 /nfs/dbraw/zinc/25/19/82/946251982.db2.gz NKPYDEMKVBJTNT-AWEZNQCLSA-N -1 1 389.464 0.468 20 0 GCADMM Cc1nsc(N[C@H]2CCCN(C(=O)[C@H]3CCC(=O)NC3)C2)c1-c1nn[n-]n1 ZINC001571299559 946254755 /nfs/dbraw/zinc/25/47/55/946254755.db2.gz XDQUHVRWMYBGAU-QWRGUYRKSA-N -1 1 390.473 0.561 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573487678 946256604 /nfs/dbraw/zinc/25/66/04/946256604.db2.gz RDTAVKKWPSHMHS-APQOSEDMSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573488049 946264002 /nfs/dbraw/zinc/26/40/02/946264002.db2.gz XBGOTDCJAXZWJS-CYBMUJFWSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573488049 946264009 /nfs/dbraw/zinc/26/40/09/946264009.db2.gz XBGOTDCJAXZWJS-CYBMUJFWSA-N -1 1 389.464 0.150 20 0 GCADMM O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823005581 946264132 /nfs/dbraw/zinc/26/41/32/946264132.db2.gz XTJBBWRKPPOSQA-UHFFFAOYSA-N -1 1 382.336 0.670 20 0 GCADMM CC(=O)NC1(C(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573488593 946268401 /nfs/dbraw/zinc/26/84/01/946268401.db2.gz FDANJLBZJSLWEM-UHFFFAOYSA-N -1 1 387.448 0.048 20 0 GCADMM CC(=O)NC1(C(=O)NCCN(C)c2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573488593 946268411 /nfs/dbraw/zinc/26/84/11/946268411.db2.gz FDANJLBZJSLWEM-UHFFFAOYSA-N -1 1 387.448 0.048 20 0 GCADMM C[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCCC1 ZINC001571300023 946270105 /nfs/dbraw/zinc/27/01/05/946270105.db2.gz YFNIYBBDQXHPEE-NSHDSACASA-N -1 1 390.448 0.787 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573488606 946270221 /nfs/dbraw/zinc/27/02/21/946270221.db2.gz FNJPPNBWAMZOPH-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573488606 946270233 /nfs/dbraw/zinc/27/02/33/946270233.db2.gz FNJPPNBWAMZOPH-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573488565 946270564 /nfs/dbraw/zinc/27/05/64/946270564.db2.gz DDKBXDFLQVLLCI-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573488565 946270572 /nfs/dbraw/zinc/27/05/72/946270572.db2.gz DDKBXDFLQVLLCI-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488691 946271304 /nfs/dbraw/zinc/27/13/04/946271304.db2.gz ITGVXBQBWUELFL-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488691 946271315 /nfs/dbraw/zinc/27/13/15/946271315.db2.gz ITGVXBQBWUELFL-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488646 946272079 /nfs/dbraw/zinc/27/20/79/946272079.db2.gz HEGXNVYFKLPPBN-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488646 946272089 /nfs/dbraw/zinc/27/20/89/946272089.db2.gz HEGXNVYFKLPPBN-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573488786 946276542 /nfs/dbraw/zinc/27/65/42/946276542.db2.gz MDQNLLNESBSVNJ-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573488786 946276547 /nfs/dbraw/zinc/27/65/47/946276547.db2.gz MDQNLLNESBSVNJ-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM O=C(COC(=O)[C@H]1CCC[C@H]1O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018675 946276779 /nfs/dbraw/zinc/27/67/79/946276779.db2.gz VZNNCPMCNUXSDP-GXTWGEPZSA-N -1 1 397.395 0.695 20 0 GCADMM O=C(COC(=O)[C@H]1CCC[C@H]1O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018675 946276793 /nfs/dbraw/zinc/27/67/93/946276793.db2.gz VZNNCPMCNUXSDP-GXTWGEPZSA-N -1 1 397.395 0.695 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001573488840 946277199 /nfs/dbraw/zinc/27/71/99/946277199.db2.gz NNYGOWSAUTVMJK-HAQNSBGRSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001573488840 946277210 /nfs/dbraw/zinc/27/72/10/946277210.db2.gz NNYGOWSAUTVMJK-HAQNSBGRSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488815 946277767 /nfs/dbraw/zinc/27/77/67/946277767.db2.gz MUEHFFKHQKOZKC-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488815 946277780 /nfs/dbraw/zinc/27/77/80/946277780.db2.gz MUEHFFKHQKOZKC-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488904 946279338 /nfs/dbraw/zinc/27/93/38/946279338.db2.gz PHLDZBPGSDISPR-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488904 946279350 /nfs/dbraw/zinc/27/93/50/946279350.db2.gz PHLDZBPGSDISPR-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488903 946279443 /nfs/dbraw/zinc/27/94/43/946279443.db2.gz PHLDZBPGSDISPR-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488903 946279453 /nfs/dbraw/zinc/27/94/53/946279453.db2.gz PHLDZBPGSDISPR-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573488900 946280784 /nfs/dbraw/zinc/28/07/84/946280784.db2.gz PFTJQVTZEBAHGR-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573488900 946280791 /nfs/dbraw/zinc/28/07/91/946280791.db2.gz PFTJQVTZEBAHGR-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCCC1 ZINC001573488885 946281163 /nfs/dbraw/zinc/28/11/63/946281163.db2.gz OWASLHIYLKXTIL-UHFFFAOYSA-N -1 1 385.432 0.166 20 0 GCADMM CC(=O)NC1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCCC1 ZINC001573488885 946281174 /nfs/dbraw/zinc/28/11/74/946281174.db2.gz OWASLHIYLKXTIL-UHFFFAOYSA-N -1 1 385.432 0.166 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCCC1 ZINC001573488968 946283094 /nfs/dbraw/zinc/28/30/94/946283094.db2.gz RLYFYYUIXZLYEN-DGCLKSJQSA-N -1 1 399.459 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCCC1 ZINC001573488968 946283104 /nfs/dbraw/zinc/28/31/04/946283104.db2.gz RLYFYYUIXZLYEN-DGCLKSJQSA-N -1 1 399.459 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573488975 946283559 /nfs/dbraw/zinc/28/35/59/946283559.db2.gz RZBOJIPQWQVRQU-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ocnc2C(F)F)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571301774 946283571 /nfs/dbraw/zinc/28/35/71/946283571.db2.gz CXDGEWLCQQJHOI-SFYZADRCSA-N -1 1 391.342 0.980 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ocnc2C(F)F)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571301774 946283576 /nfs/dbraw/zinc/28/35/76/946283576.db2.gz CXDGEWLCQQJHOI-SFYZADRCSA-N -1 1 391.342 0.980 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573488975 946283566 /nfs/dbraw/zinc/28/35/66/946283566.db2.gz RZBOJIPQWQVRQU-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573489088 946284219 /nfs/dbraw/zinc/28/42/19/946284219.db2.gz XCSBZFZPNNEVAW-MNOVXSKESA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573489088 946284224 /nfs/dbraw/zinc/28/42/24/946284224.db2.gz XCSBZFZPNNEVAW-MNOVXSKESA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573489060 946285069 /nfs/dbraw/zinc/28/50/69/946285069.db2.gz WGBZXGYRSKQUAZ-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573489060 946285076 /nfs/dbraw/zinc/28/50/76/946285076.db2.gz WGBZXGYRSKQUAZ-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001573489071 946285638 /nfs/dbraw/zinc/28/56/38/946285638.db2.gz WQMOZGVYFFHOHW-LBPRGKRZSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573489071 946285647 /nfs/dbraw/zinc/28/56/47/946285647.db2.gz WQMOZGVYFFHOHW-LBPRGKRZSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)c1cocn1 ZINC001571302262 946297648 /nfs/dbraw/zinc/29/76/48/946297648.db2.gz SKCXUUIFLXJHPG-VIFPVBQESA-N -1 1 391.342 0.536 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)c1cocn1 ZINC001571302262 946297660 /nfs/dbraw/zinc/29/76/60/946297660.db2.gz SKCXUUIFLXJHPG-VIFPVBQESA-N -1 1 391.342 0.536 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCc2cccnc21 ZINC001571302536 946304662 /nfs/dbraw/zinc/30/46/62/946304662.db2.gz AKZQARZMKDYIBE-UONOGXRCSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCc2cccnc21 ZINC001571302536 946304673 /nfs/dbraw/zinc/30/46/73/946304673.db2.gz AKZQARZMKDYIBE-UONOGXRCSA-N -1 1 391.439 0.867 20 0 GCADMM CC(=O)NC1CCC(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)CC1 ZINC001573495479 946308365 /nfs/dbraw/zinc/30/83/65/946308365.db2.gz QOIVJCBCVSCCCN-UHFFFAOYSA-N -1 1 385.428 0.968 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)n1 ZINC001571302830 946314992 /nfs/dbraw/zinc/31/49/92/946314992.db2.gz HBNDKDRLYKEPAO-KBPBESRZSA-N -1 1 391.439 0.788 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)n1 ZINC001571302830 946315003 /nfs/dbraw/zinc/31/50/03/946315003.db2.gz HBNDKDRLYKEPAO-KBPBESRZSA-N -1 1 391.439 0.788 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573496199 946320185 /nfs/dbraw/zinc/32/01/85/946320185.db2.gz WVMZXXLGNYSOOS-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573496199 946320195 /nfs/dbraw/zinc/32/01/95/946320195.db2.gz WVMZXXLGNYSOOS-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)cc1 ZINC001571302966 946320756 /nfs/dbraw/zinc/32/07/56/946320756.db2.gz FYUYLHBMRPWAQL-HALDLXJZSA-N -1 1 391.439 0.587 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)cc1 ZINC001571302966 946320768 /nfs/dbraw/zinc/32/07/68/946320768.db2.gz FYUYLHBMRPWAQL-HALDLXJZSA-N -1 1 391.439 0.587 20 0 GCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@H]1CCc2cccnc21 ZINC001571302981 946322250 /nfs/dbraw/zinc/32/22/50/946322250.db2.gz GOEWBVKUFRNMOL-MRVWCRGKSA-N -1 1 391.439 0.723 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1Cc2cccnc2C1 ZINC001571303026 946323146 /nfs/dbraw/zinc/32/31/46/946323146.db2.gz HPEZXVSXVOOIDW-OSAQELSMSA-N -1 1 391.439 0.408 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@H]1Cc2cccnc2C1 ZINC001571303026 946323158 /nfs/dbraw/zinc/32/31/58/946323158.db2.gz HPEZXVSXVOOIDW-OSAQELSMSA-N -1 1 391.439 0.408 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571303020 946324238 /nfs/dbraw/zinc/32/42/38/946324238.db2.gz JFXPCZKTWKRYGF-ZDUSSCGKSA-N -1 1 391.439 0.870 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571303020 946324248 /nfs/dbraw/zinc/32/42/48/946324248.db2.gz JFXPCZKTWKRYGF-ZDUSSCGKSA-N -1 1 391.439 0.870 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001571303028 946324950 /nfs/dbraw/zinc/32/49/50/946324950.db2.gz HPEZXVSXVOOIDW-UXIGCNINSA-N -1 1 391.439 0.408 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001571303028 946324963 /nfs/dbraw/zinc/32/49/63/946324963.db2.gz HPEZXVSXVOOIDW-UXIGCNINSA-N -1 1 391.439 0.408 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@@H]3Cc4cccnc4C3)C2)n1 ZINC001571303156 946327443 /nfs/dbraw/zinc/32/74/43/946327443.db2.gz ITVXYYIPTREKBH-ZIAGYGMSSA-N -1 1 391.439 0.470 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@@H]3Cc4cccnc4C3)C2)n1 ZINC001571303156 946327449 /nfs/dbraw/zinc/32/74/49/946327449.db2.gz ITVXYYIPTREKBH-ZIAGYGMSSA-N -1 1 391.439 0.470 20 0 GCADMM Cc1cnccc1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571303240 946329016 /nfs/dbraw/zinc/32/90/16/946329016.db2.gz MLBYGPJSJWHMGB-GASCZTMLSA-N -1 1 391.439 0.782 20 0 GCADMM CC(C)(C)OC1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001571303506 946338282 /nfs/dbraw/zinc/33/82/82/946338282.db2.gz MOOJMNGDUNRKHZ-UHFFFAOYSA-N -1 1 391.432 0.325 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2cccnc2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303544 946339452 /nfs/dbraw/zinc/33/94/52/946339452.db2.gz NGEMXNWDYILEJP-KSMMKXTCSA-N -1 1 391.439 0.940 20 0 GCADMM C[C@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571303503 946340146 /nfs/dbraw/zinc/34/01/46/946340146.db2.gz MLPVEZGZAMIXJU-XHDPSFHLSA-N -1 1 391.439 0.924 20 0 GCADMM COc1ncc(NC(=O)N2CCC(CCO)(CCO)CC2)cc1-c1nn[n-]n1 ZINC001571303714 946345294 /nfs/dbraw/zinc/34/52/94/946345294.db2.gz PTQSRRADHSLWAU-UHFFFAOYSA-N -1 1 391.432 0.649 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303749 946346581 /nfs/dbraw/zinc/34/65/81/946346581.db2.gz XAPOAVBTHBBVQT-KBPBESRZSA-N -1 1 391.439 0.292 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303752 946348333 /nfs/dbraw/zinc/34/83/33/946348333.db2.gz XAPOAVBTHBBVQT-ZIAGYGMSSA-N -1 1 391.439 0.292 20 0 GCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC001571303963 946352807 /nfs/dbraw/zinc/35/28/07/946352807.db2.gz UACJAQBCDHDGER-UHFFFAOYSA-N -1 1 391.438 0.042 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571304173 946362078 /nfs/dbraw/zinc/36/20/78/946362078.db2.gz ZPDOPVODTLZMIT-BNOWGMLFSA-N -1 1 391.439 0.550 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571304173 946362088 /nfs/dbraw/zinc/36/20/88/946362088.db2.gz ZPDOPVODTLZMIT-BNOWGMLFSA-N -1 1 391.439 0.550 20 0 GCADMM O=C(Cn1cccn1)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571305608 946369699 /nfs/dbraw/zinc/36/96/99/946369699.db2.gz HIOXDVDCPVAFAE-IUCAKERBSA-N -1 1 391.848 0.663 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573499784 946369871 /nfs/dbraw/zinc/36/98/71/946369871.db2.gz GESVOXXMMNISGN-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573499784 946369883 /nfs/dbraw/zinc/36/98/83/946369883.db2.gz GESVOXXMMNISGN-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305903 946377645 /nfs/dbraw/zinc/37/76/45/946377645.db2.gz CYVGHNFSHFESTF-ZRUFSTJUSA-N -1 1 391.457 0.747 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O)[C@H]1CC1(F)F ZINC001571305877 946378366 /nfs/dbraw/zinc/37/83/66/946378366.db2.gz MTNFSFNQHSQENB-PBXRRBTRSA-N -1 1 391.791 0.298 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503849 946398202 /nfs/dbraw/zinc/39/82/02/946398202.db2.gz CIMGTQAMJHXHIM-LDYMZIIASA-N -1 1 378.462 0.417 20 0 GCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001571306607 946404040 /nfs/dbraw/zinc/40/40/40/946404040.db2.gz MEVMCYPYEUVEKS-GFCCVEGCSA-N -1 1 391.457 0.461 20 0 GCADMM Cc1nsc(N2C[C@@H]3CCN(C(=O)[C@@H]4COCCO4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571306998 946413629 /nfs/dbraw/zinc/41/36/29/946413629.db2.gz SSYFCXWXXVNORO-TUAOUCFPSA-N -1 1 391.457 0.084 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573505095 946417513 /nfs/dbraw/zinc/41/75/13/946417513.db2.gz JNFVSECMQIKOQD-QMMMGPOBSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573505095 946417521 /nfs/dbraw/zinc/41/75/21/946417521.db2.gz JNFVSECMQIKOQD-QMMMGPOBSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001573505182 946418711 /nfs/dbraw/zinc/41/87/11/946418711.db2.gz KIIFRNDZOYEEHD-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001573505182 946418717 /nfs/dbraw/zinc/41/87/17/946418717.db2.gz KIIFRNDZOYEEHD-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573506291 946430465 /nfs/dbraw/zinc/43/04/65/946430465.db2.gz PDZJHZAOGSZJCO-MRVPVSSYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573506291 946430470 /nfs/dbraw/zinc/43/04/70/946430470.db2.gz PDZJHZAOGSZJCO-MRVPVSSYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573506285 946430671 /nfs/dbraw/zinc/43/06/71/946430671.db2.gz QGTNDLWEGGCTDH-NSHDSACASA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573506285 946430680 /nfs/dbraw/zinc/43/06/80/946430680.db2.gz QGTNDLWEGGCTDH-NSHDSACASA-N -1 1 387.448 0.140 20 0 GCADMM O=S(=O)(C[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571308747 946435938 /nfs/dbraw/zinc/43/59/38/946435938.db2.gz SQIIZHHCPMKSMG-KOLCDFICSA-N -1 1 392.363 0.791 20 0 GCADMM O=S(=O)(C[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571308747 946435944 /nfs/dbraw/zinc/43/59/44/946435944.db2.gz SQIIZHHCPMKSMG-KOLCDFICSA-N -1 1 392.363 0.791 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCN2c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573506763 946436534 /nfs/dbraw/zinc/43/65/34/946436534.db2.gz TVUSXQXNOREDJD-NWDGAFQWSA-N -1 1 390.473 0.195 20 0 GCADMM COCc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571309450 946444963 /nfs/dbraw/zinc/44/49/63/946444963.db2.gz AGVXZZGSPBNRTM-GJZGRUSLSA-N -1 1 392.423 0.906 20 0 GCADMM COCc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571309450 946444967 /nfs/dbraw/zinc/44/49/67/946444967.db2.gz AGVXZZGSPBNRTM-GJZGRUSLSA-N -1 1 392.423 0.906 20 0 GCADMM O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571309536 946447388 /nfs/dbraw/zinc/44/73/88/946447388.db2.gz CRSCTZJUDGVBOW-UHFFFAOYSA-N -1 1 392.423 0.483 20 0 GCADMM O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571309536 946447396 /nfs/dbraw/zinc/44/73/96/946447396.db2.gz CRSCTZJUDGVBOW-UHFFFAOYSA-N -1 1 392.423 0.483 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccc2c1OCC2 ZINC001571309708 946450680 /nfs/dbraw/zinc/45/06/80/946450680.db2.gz IHOBAWPYEKKAAL-ZDUSSCGKSA-N -1 1 392.423 0.990 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccc2c1OCC2 ZINC001571309708 946450687 /nfs/dbraw/zinc/45/06/87/946450687.db2.gz IHOBAWPYEKKAAL-ZDUSSCGKSA-N -1 1 392.423 0.990 20 0 GCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccc2c1OCC2 ZINC001571309707 946451304 /nfs/dbraw/zinc/45/13/04/946451304.db2.gz IHOBAWPYEKKAAL-CYBMUJFWSA-N -1 1 392.423 0.990 20 0 GCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccc2c1OCC2 ZINC001571309707 946451312 /nfs/dbraw/zinc/45/13/12/946451312.db2.gz IHOBAWPYEKKAAL-CYBMUJFWSA-N -1 1 392.423 0.990 20 0 GCADMM Cn1cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571309767 946452434 /nfs/dbraw/zinc/45/24/34/946452434.db2.gz KDLKKKQMALEDNE-JTQLQIEISA-N -1 1 392.420 0.703 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)n1 ZINC001571309775 946453671 /nfs/dbraw/zinc/45/36/71/946453671.db2.gz KKVDURFCWZWQIY-BBRMVZONSA-N -1 1 392.423 0.664 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)n1 ZINC001571309775 946453678 /nfs/dbraw/zinc/45/36/78/946453678.db2.gz KKVDURFCWZWQIY-BBRMVZONSA-N -1 1 392.423 0.664 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573508974 946457329 /nfs/dbraw/zinc/45/73/29/946457329.db2.gz CUXJBZJSNIJGSI-LBPRGKRZSA-N -1 1 392.489 0.951 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573509618 946463591 /nfs/dbraw/zinc/46/35/91/946463591.db2.gz PNMTVQUIEKAADP-QMMMGPOBSA-N -1 1 384.853 0.516 20 0 GCADMM O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310254 946465454 /nfs/dbraw/zinc/46/54/54/946465454.db2.gz ZUQUSWJUWLDGOY-AWEZNQCLSA-N -1 1 392.423 0.529 20 0 GCADMM O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310254 946465459 /nfs/dbraw/zinc/46/54/59/946465459.db2.gz ZUQUSWJUWLDGOY-AWEZNQCLSA-N -1 1 392.423 0.529 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571310227 946466603 /nfs/dbraw/zinc/46/66/03/946466603.db2.gz ZDEKLOOLQOSDKN-FZMZJTMJSA-N -1 1 392.423 0.586 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573509895 946467153 /nfs/dbraw/zinc/46/71/53/946467153.db2.gz UIWKOHCESFQRHW-ZDUSSCGKSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573509895 946467160 /nfs/dbraw/zinc/46/71/60/946467160.db2.gz UIWKOHCESFQRHW-ZDUSSCGKSA-N -1 1 387.448 0.284 20 0 GCADMM O=C(c1ncccn1)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571310339 946468055 /nfs/dbraw/zinc/46/80/55/946468055.db2.gz BXNGHRPEIWKYEM-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ncccn1)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571310342 946469590 /nfs/dbraw/zinc/46/95/90/946469590.db2.gz BZHYEGBYRKNIHR-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ncccn1)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571310342 946469594 /nfs/dbraw/zinc/46/95/94/946469594.db2.gz BZHYEGBYRKNIHR-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2COC(=O)N2)c1-c1nn[n-]n1 ZINC001571310560 946474932 /nfs/dbraw/zinc/47/49/32/946474932.db2.gz IZLSQZHMDSRSHR-ZJUUUORDSA-N -1 1 392.445 0.533 20 0 GCADMM Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@H]2COC(=O)N2)c1-c1nn[n-]n1 ZINC001571310559 946475506 /nfs/dbraw/zinc/47/55/06/946475506.db2.gz IZLSQZHMDSRSHR-VHSXEESVSA-N -1 1 392.445 0.533 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573510347 946476435 /nfs/dbraw/zinc/47/64/35/946476435.db2.gz FRZWRTFTMLLLRR-MEDUHNTESA-N -1 1 390.473 0.052 20 0 GCADMM O=C(c1ncccn1)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571311149 946482897 /nfs/dbraw/zinc/48/28/97/946482897.db2.gz SAJQLFCQTILBBM-UHFFFAOYSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ncccn1)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571311149 946482903 /nfs/dbraw/zinc/48/29/03/946482903.db2.gz SAJQLFCQTILBBM-UHFFFAOYSA-N -1 1 392.427 0.579 20 0 GCADMM NC(=O)C1CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)CC1 ZINC001571311170 946483285 /nfs/dbraw/zinc/48/32/85/946483285.db2.gz SIPNKXARCOYOPI-UHFFFAOYSA-N -1 1 392.466 0.967 20 0 GCADMM O=C(c1cccnn1)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571312369 946489201 /nfs/dbraw/zinc/48/92/01/946489201.db2.gz AWVZPGNWWATKKB-UHFFFAOYSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1cccnn1)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571312369 946489207 /nfs/dbraw/zinc/48/92/07/946489207.db2.gz AWVZPGNWWATKKB-UHFFFAOYSA-N -1 1 392.427 0.579 20 0 GCADMM Cc1ncncc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001571312357 946489479 /nfs/dbraw/zinc/48/94/79/946489479.db2.gz AFJOTLYXYPHQFL-XIKOKIGWSA-N -1 1 392.427 0.354 20 0 GCADMM Cc1ncncc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571312357 946489482 /nfs/dbraw/zinc/48/94/82/946489482.db2.gz AFJOTLYXYPHQFL-XIKOKIGWSA-N -1 1 392.427 0.354 20 0 GCADMM Cc1nsc(NCC[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571311505 946489653 /nfs/dbraw/zinc/48/96/53/946489653.db2.gz ZJBHTLGQYHQJTL-VHSXEESVSA-N -1 1 392.445 0.391 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCN(C(=O)c4ccnnc4)C3)C2)n1 ZINC001571312447 946491288 /nfs/dbraw/zinc/49/12/88/946491288.db2.gz DFNJQHKARKLRBR-GOSISDBHSA-N -1 1 392.427 0.498 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCN(C(=O)c4ccnnc4)C3)C2)n1 ZINC001571312447 946491296 /nfs/dbraw/zinc/49/12/96/946491296.db2.gz DFNJQHKARKLRBR-GOSISDBHSA-N -1 1 392.427 0.498 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCOc2ccccc21 ZINC001571312388 946491761 /nfs/dbraw/zinc/49/17/61/946491761.db2.gz BMFJNIBBEFQBDH-GXTWGEPZSA-N -1 1 392.423 0.918 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@H]21 ZINC001571312542 946493849 /nfs/dbraw/zinc/49/38/49/946493849.db2.gz HCXNEKBLIAHPNS-GXTWGEPZSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@H]21 ZINC001571312542 946493862 /nfs/dbraw/zinc/49/38/62/946493862.db2.gz HCXNEKBLIAHPNS-GXTWGEPZSA-N -1 1 392.427 0.578 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571312497 946494623 /nfs/dbraw/zinc/49/46/23/946494623.db2.gz FZRFBNFFDIJPIG-ZWNOBZJWSA-N -1 1 392.427 0.319 20 0 GCADMM Cc1cnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)cn1 ZINC001571312566 946496914 /nfs/dbraw/zinc/49/69/14/946496914.db2.gz HPDUOJVIICHKBX-AVGNSLFASA-N -1 1 392.427 0.542 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C12CCC2 ZINC001573512367 946498285 /nfs/dbraw/zinc/49/82/85/946498285.db2.gz FHJAANGDNUCJRY-WDEREUQCSA-N -1 1 390.473 0.607 20 0 GCADMM CC(=O)NCC(=O)NC1(C)CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573512975 946505455 /nfs/dbraw/zinc/50/54/55/946505455.db2.gz JXSBKJVQTWEJSE-UHFFFAOYSA-N -1 1 378.462 0.243 20 0 GCADMM CN(C)c1ccnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571312903 946505610 /nfs/dbraw/zinc/50/56/10/946505610.db2.gz LXHJHJSQUSJHMD-STQMWFEESA-N -1 1 392.427 0.221 20 0 GCADMM CN(C)c1ccnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571312903 946505618 /nfs/dbraw/zinc/50/56/18/946505618.db2.gz LXHJHJSQUSJHMD-STQMWFEESA-N -1 1 392.427 0.221 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001571313081 946509538 /nfs/dbraw/zinc/50/95/38/946509538.db2.gz NBGLZXKJIMHVHF-ZWNOBZJWSA-N -1 1 392.427 0.461 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573513357 946511086 /nfs/dbraw/zinc/51/10/86/946511086.db2.gz MVCJLGSHUXHCNK-MNOVXSKESA-N -1 1 378.462 0.465 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)n1 ZINC001571313116 946512188 /nfs/dbraw/zinc/51/21/88/946512188.db2.gz OGEAPKPROPZAQZ-STQMWFEESA-N -1 1 392.427 0.908 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)n1 ZINC001571313116 946512192 /nfs/dbraw/zinc/51/21/92/946512192.db2.gz OGEAPKPROPZAQZ-STQMWFEESA-N -1 1 392.427 0.908 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc2c1CCOC2 ZINC001571313133 946512917 /nfs/dbraw/zinc/51/29/17/946512917.db2.gz OPFLWVIYUKRTSM-JOCQHMNTSA-N -1 1 392.423 0.524 20 0 GCADMM Cc1cnc(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)cn1 ZINC001571313258 946515924 /nfs/dbraw/zinc/51/59/24/946515924.db2.gz OZPNWKBYUFUNIQ-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1cnc(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)cn1 ZINC001571313258 946515928 /nfs/dbraw/zinc/51/59/28/946515928.db2.gz OZPNWKBYUFUNIQ-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCCC[C@@H]1C ZINC001573514148 946519588 /nfs/dbraw/zinc/51/95/88/946519588.db2.gz SVJZMLVDWBXVML-GTNSWQLSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCCC[C@@H]1C ZINC001573514148 946519596 /nfs/dbraw/zinc/51/95/96/946519596.db2.gz SVJZMLVDWBXVML-GTNSWQLSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC[C@@H]1C ZINC001573514140 946520474 /nfs/dbraw/zinc/52/04/74/946520474.db2.gz SQVLWRGTKKVZIS-GTNSWQLSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC[C@@H]1C ZINC001573514140 946520477 /nfs/dbraw/zinc/52/04/77/946520477.db2.gz SQVLWRGTKKVZIS-GTNSWQLSSA-N -1 1 387.448 0.270 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cncnc1C1CC1 ZINC001571313444 946522367 /nfs/dbraw/zinc/52/23/67/946522367.db2.gz RFOJKRGMUTYFID-LLVKDONJSA-N -1 1 392.427 0.580 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cncnc1C1CC1 ZINC001571313444 946522372 /nfs/dbraw/zinc/52/23/72/946522372.db2.gz RFOJKRGMUTYFID-LLVKDONJSA-N -1 1 392.427 0.580 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC001571313572 946526509 /nfs/dbraw/zinc/52/65/09/946526509.db2.gz RYMCFDWDJGUKDD-SWLSCSKDSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC001571313572 946526511 /nfs/dbraw/zinc/52/65/11/946526511.db2.gz RYMCFDWDJGUKDD-SWLSCSKDSA-N -1 1 392.427 0.578 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571313627 946528382 /nfs/dbraw/zinc/52/83/82/946528382.db2.gz UZEAWEVEAGWVLU-OCCSQVGLSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571313627 946528393 /nfs/dbraw/zinc/52/83/93/946528393.db2.gz UZEAWEVEAGWVLU-OCCSQVGLSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1ccnc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nnn[n-]4)n2)C3)n1 ZINC001571313716 946530674 /nfs/dbraw/zinc/53/06/74/946530674.db2.gz VRNKQKMAKBQELJ-SGTLLEGYSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1ccnc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nn[n-]n4)n2)C3)n1 ZINC001571313716 946530683 /nfs/dbraw/zinc/53/06/83/946530683.db2.gz VRNKQKMAKBQELJ-SGTLLEGYSA-N -1 1 392.427 0.544 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCc2ccccc2O1 ZINC001571313820 946531892 /nfs/dbraw/zinc/53/18/92/946531892.db2.gz WHAOEKKQAUQNPL-BBRMVZONSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCc2ccccc2O1 ZINC001571313820 946531903 /nfs/dbraw/zinc/53/19/03/946531903.db2.gz WHAOEKKQAUQNPL-BBRMVZONSA-N -1 1 392.423 0.745 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)nn1 ZINC001571313923 946536368 /nfs/dbraw/zinc/53/63/68/946536368.db2.gz XMWCYPKTUDUTEZ-STQMWFEESA-N -1 1 392.427 0.330 20 0 GCADMM Cc1cc(C(=O)N[C@@]23CCC[C@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)cnn1 ZINC001571313929 946537050 /nfs/dbraw/zinc/53/70/50/946537050.db2.gz XPYPPFCNDYVXCQ-RDTXWAMCSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(C(=O)N[C@@]23CCC[C@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)cnn1 ZINC001571313929 946537061 /nfs/dbraw/zinc/53/70/61/946537061.db2.gz XPYPPFCNDYVXCQ-RDTXWAMCSA-N -1 1 392.427 0.687 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573515666 946547805 /nfs/dbraw/zinc/54/78/05/946547805.db2.gz OVQHTWHIXXCFNX-LDYMZIIASA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573517587 946578029 /nfs/dbraw/zinc/57/80/29/946578029.db2.gz NYGNDXZOARRNLT-MRVPVSSYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573517856 946582020 /nfs/dbraw/zinc/58/20/20/946582020.db2.gz SUQPRPGPORWAIB-LLVKDONJSA-N -1 1 378.462 0.243 20 0 GCADMM CC(=O)NCC(=O)NCCN(c1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573520071 946591010 /nfs/dbraw/zinc/59/10/10/946591010.db2.gz BUDNMBPXLCZZES-UHFFFAOYSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NCCN(c1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573520071 946591013 /nfs/dbraw/zinc/59/10/13/946591013.db2.gz BUDNMBPXLCZZES-UHFFFAOYSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NCCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573520545 946599142 /nfs/dbraw/zinc/59/91/42/946599142.db2.gz JSTALDUVFGGOPT-UHFFFAOYSA-N -1 1 392.489 0.490 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573520937 946603373 /nfs/dbraw/zinc/60/33/73/946603373.db2.gz QABOOFRRUQIVCG-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573520937 946603385 /nfs/dbraw/zinc/60/33/85/946603385.db2.gz QABOOFRRUQIVCG-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571317493 946612112 /nfs/dbraw/zinc/61/21/12/946612112.db2.gz JXGXMQGMHYEUGD-QJPTWQEYSA-N -1 1 392.489 0.684 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@H](C)SC)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571317493 946612114 /nfs/dbraw/zinc/61/21/14/946612114.db2.gz JXGXMQGMHYEUGD-QJPTWQEYSA-N -1 1 392.489 0.684 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573521847 946613355 /nfs/dbraw/zinc/61/33/55/946613355.db2.gz KXILOOBMQGVETB-JOCQHMNTSA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573521847 946613363 /nfs/dbraw/zinc/61/33/63/946613363.db2.gz KXILOOBMQGVETB-JOCQHMNTSA-N -1 1 387.448 0.188 20 0 GCADMM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCOC1 ZINC001571317947 946624769 /nfs/dbraw/zinc/62/47/69/946624769.db2.gz ZTUSNWMUKZZNEI-QWHCGFSZSA-N -1 1 392.485 0.672 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 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ICYUTDUITJDOIK-ZWNOBZJWSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573541177 946783674 /nfs/dbraw/zinc/78/36/74/946783674.db2.gz NQSYIBZZNZEFRN-GXFFZTMASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573541177 946783684 /nfs/dbraw/zinc/78/36/84/946783684.db2.gz NQSYIBZZNZEFRN-GXFFZTMASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573541242 946785395 /nfs/dbraw/zinc/78/53/95/946785395.db2.gz PERJLANGIFWHQC-UHIISALHSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(C)C ZINC001573541242 946785405 /nfs/dbraw/zinc/78/54/05/946785405.db2.gz PERJLANGIFWHQC-UHIISALHSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573541240 946786406 /nfs/dbraw/zinc/78/64/06/946786406.db2.gz PERJLANGIFWHQC-JTNHKYCSSA-N -1 1 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CC(=O)Nc1ccccc1C(F)(F)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001573548432 946852364 /nfs/dbraw/zinc/85/23/64/946852364.db2.gz KKGDZRUHIFTXIK-UHFFFAOYSA-N -1 1 391.342 0.325 20 0 GCADMM CC(=O)Nc1nc(C(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001573548560 946853772 /nfs/dbraw/zinc/85/37/72/946853772.db2.gz OCXFNRVTJNTLON-UHFFFAOYSA-N -1 1 388.417 0.256 20 0 GCADMM CC(=O)Nc1nc(C(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001573548560 946853779 /nfs/dbraw/zinc/85/37/79/946853779.db2.gz OCXFNRVTJNTLON-UHFFFAOYSA-N -1 1 388.417 0.256 20 0 GCADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)nn1 ZINC001573558702 946940085 /nfs/dbraw/zinc/94/00/85/946940085.db2.gz NOQYIUBKSJRERF-UHFFFAOYSA-N -1 1 392.376 0.046 20 0 GCADMM CC(=O)c1cncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1 ZINC001573558853 946941703 /nfs/dbraw/zinc/94/17/03/946941703.db2.gz QSOKSGRRRYLICE-UHFFFAOYSA-N -1 1 383.372 0.276 20 0 GCADMM CC(=O)c1cncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1 ZINC001573558853 946941709 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0.861 20 0 GCADMM CCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825225093 947125331 /nfs/dbraw/zinc/12/53/31/947125331.db2.gz LGRSOXFXSHQXGK-LBPRGKRZSA-N -1 1 375.433 0.861 20 0 GCADMM CCN(CC)C(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825406649 947179437 /nfs/dbraw/zinc/17/94/37/947179437.db2.gz RYQUNIVXLKDUAV-UHFFFAOYSA-N -1 1 376.421 0.312 20 0 GCADMM CCN(CC)C(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825406649 947179440 /nfs/dbraw/zinc/17/94/40/947179440.db2.gz RYQUNIVXLKDUAV-UHFFFAOYSA-N -1 1 376.421 0.312 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NCc2ccccc2OC)c1-c1nn[n-]n1 ZINC000825565480 947224757 /nfs/dbraw/zinc/22/47/57/947224757.db2.gz SICOLRSPBDVOJX-UHFFFAOYSA-N -1 1 385.384 0.565 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NCCc2ccccc2C)c1-c1nn[n-]n1 ZINC000825565152 947226113 /nfs/dbraw/zinc/22/61/13/947226113.db2.gz MREHTKURTIREQU-UHFFFAOYSA-N -1 1 383.412 0.907 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)Nc2cccc(C(=O)OC)c2)c1-c1nn[n-]n1 ZINC000825570071 947229047 /nfs/dbraw/zinc/22/90/47/947229047.db2.gz DZVSWELUZJQVIE-UHFFFAOYSA-N -1 1 399.367 0.665 20 0 GCADMM CCOC(=O)c1csc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC000825570981 947234018 /nfs/dbraw/zinc/23/40/18/947234018.db2.gz QMCABGNSKJFBPP-UHFFFAOYSA-N -1 1 377.386 0.655 20 0 GCADMM CCOC(=O)c1csc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC000825570981 947234028 /nfs/dbraw/zinc/23/40/28/947234028.db2.gz QMCABGNSKJFBPP-UHFFFAOYSA-N -1 1 377.386 0.655 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)Nc2cccc3nsnc32)c1-c1nn[n-]n1 ZINC000825571315 947236351 /nfs/dbraw/zinc/23/63/51/947236351.db2.gz XUWIWPKSGDPCKL-UHFFFAOYSA-N -1 1 399.396 0.883 20 0 GCADMM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)CC2 ZINC000825581457 947240663 /nfs/dbraw/zinc/24/06/63/947240663.db2.gz ARIKOAPEPFQCOM-OLZOCXBDSA-N -1 1 376.417 0.484 20 0 GCADMM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)CC2 ZINC000825581457 947240674 /nfs/dbraw/zinc/24/06/74/947240674.db2.gz ARIKOAPEPFQCOM-OLZOCXBDSA-N -1 1 376.417 0.484 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573591567 947316143 /nfs/dbraw/zinc/31/61/43/947316143.db2.gz DAFUMYMKSIFCLW-RYUDHWBXSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573591567 947316157 /nfs/dbraw/zinc/31/61/57/947316157.db2.gz DAFUMYMKSIFCLW-RYUDHWBXSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573591854 947322297 /nfs/dbraw/zinc/32/22/97/947322297.db2.gz GTQGHWHLODLNRB-GXTWGEPZSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573592067 947325456 /nfs/dbraw/zinc/32/54/56/947325456.db2.gz IKARBYGFOJIJAU-TZMCWYRMSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573592067 947325470 /nfs/dbraw/zinc/32/54/70/947325470.db2.gz IKARBYGFOJIJAU-TZMCWYRMSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573592011 947326806 /nfs/dbraw/zinc/32/68/06/947326806.db2.gz HXFVYEBJYTYUJR-NWDGAFQWSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573592011 947326817 /nfs/dbraw/zinc/32/68/17/947326817.db2.gz HXFVYEBJYTYUJR-NWDGAFQWSA-N -1 1 376.465 0.594 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC2CCN(C(=O)C(C)(C)C)CC2)c1=O ZINC000825796947 947332450 /nfs/dbraw/zinc/33/24/50/947332450.db2.gz QVVODHSOQSLHLN-UHFFFAOYSA-N -1 1 389.460 0.495 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC2(OCCCOC)CCCC2)c1=O ZINC000825796775 947333965 /nfs/dbraw/zinc/33/39/65/947333965.db2.gz NJCQVZBEJKXQFH-UHFFFAOYSA-N -1 1 378.433 0.576 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573592344 947337488 /nfs/dbraw/zinc/33/74/88/947337488.db2.gz JMCJLUVBEXVNPL-IUCAKERBSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573592344 947337500 /nfs/dbraw/zinc/33/75/00/947337500.db2.gz JMCJLUVBEXVNPL-IUCAKERBSA-N -1 1 388.354 0.111 20 0 GCADMM CN(C)c1nccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000825888603 947357986 /nfs/dbraw/zinc/35/79/86/947357986.db2.gz SHNUAMQXSUMJFI-UHFFFAOYSA-N -1 1 394.848 0.855 20 0 GCADMM CN(C)c1nccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000825888603 947358001 /nfs/dbraw/zinc/35/80/01/947358001.db2.gz SHNUAMQXSUMJFI-UHFFFAOYSA-N -1 1 394.848 0.855 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@@H]1CSCCS1 ZINC000825929590 947374626 /nfs/dbraw/zinc/37/46/26/947374626.db2.gz JITOLBHWJDAXOH-SECBINFHSA-N -1 1 397.534 0.595 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@H]1CSCCS1 ZINC000825929590 947374636 /nfs/dbraw/zinc/37/46/36/947374636.db2.gz JITOLBHWJDAXOH-SECBINFHSA-N -1 1 397.534 0.595 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573593751 947378007 /nfs/dbraw/zinc/37/80/07/947378007.db2.gz VMRWKAQUIGVHBS-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573593751 947378022 /nfs/dbraw/zinc/37/80/22/947378022.db2.gz VMRWKAQUIGVHBS-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573593829 947381719 /nfs/dbraw/zinc/38/17/19/947381719.db2.gz WETUFEBMOFOFQZ-LBPRGKRZSA-N -1 1 384.448 0.433 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cncn1 ZINC001573594224 947390182 /nfs/dbraw/zinc/39/01/82/947390182.db2.gz PACOTTZXTKGFIK-ZWNOBZJWSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573594224 947390194 /nfs/dbraw/zinc/39/01/94/947390194.db2.gz PACOTTZXTKGFIK-ZWNOBZJWSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573594368 947392953 /nfs/dbraw/zinc/39/29/53/947392953.db2.gz AJEQKJSSWNNSBL-CMPLNLGQSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573594368 947392961 /nfs/dbraw/zinc/39/29/61/947392961.db2.gz AJEQKJSSWNNSBL-CMPLNLGQSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573594371 947393064 /nfs/dbraw/zinc/39/30/64/947393064.db2.gz AJEQKJSSWNNSBL-PWSUYJOCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573594371 947393077 /nfs/dbraw/zinc/39/30/77/947393077.db2.gz AJEQKJSSWNNSBL-PWSUYJOCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573594501 947396938 /nfs/dbraw/zinc/39/69/38/947396938.db2.gz BITBMMYXNOVIAM-CMPLNLGQSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573594501 947396956 /nfs/dbraw/zinc/39/69/56/947396956.db2.gz BITBMMYXNOVIAM-CMPLNLGQSA-N -1 1 388.457 0.753 20 0 GCADMM CNS(=O)(=O)c1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826090850 947424683 /nfs/dbraw/zinc/42/46/83/947424683.db2.gz QPZCFBYZKQHSJG-UHFFFAOYSA-N -1 1 377.386 0.252 20 0 GCADMM CNS(=O)(=O)c1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826090850 947424687 /nfs/dbraw/zinc/42/46/87/947424687.db2.gz QPZCFBYZKQHSJG-UHFFFAOYSA-N -1 1 377.386 0.252 20 0 GCADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573596469 947429359 /nfs/dbraw/zinc/42/93/59/947429359.db2.gz KIZMZRXDFYNHTN-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573596469 947429364 /nfs/dbraw/zinc/42/93/64/947429364.db2.gz KIZMZRXDFYNHTN-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573599184 947449825 /nfs/dbraw/zinc/44/98/25/947449825.db2.gz VICOOXPUGBRJCO-ZYHUDNBSSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573599184 947449831 /nfs/dbraw/zinc/44/98/31/947449831.db2.gz VICOOXPUGBRJCO-ZYHUDNBSSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573602203 947468076 /nfs/dbraw/zinc/46/80/76/947468076.db2.gz DKAXVIXBRDTLAD-SNVBAGLBSA-N -1 1 386.503 0.252 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573603450 947487454 /nfs/dbraw/zinc/48/74/54/947487454.db2.gz HBXLUZJHLNTFRW-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573603450 947487472 /nfs/dbraw/zinc/48/74/72/947487472.db2.gz HBXLUZJHLNTFRW-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)N(C)CC(F)(F)F ZINC001573604721 947515932 /nfs/dbraw/zinc/51/59/32/947515932.db2.gz QIPOOJXSFQZIAO-SECBINFHSA-N -1 1 387.370 0.410 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)N(C)CC(F)(F)F ZINC001573604721 947515939 /nfs/dbraw/zinc/51/59/39/947515939.db2.gz QIPOOJXSFQZIAO-SECBINFHSA-N -1 1 387.370 0.410 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cncn1 ZINC001573605365 947531361 /nfs/dbraw/zinc/53/13/61/947531361.db2.gz XFDMVBCPXAIUQV-SSDOTTSWSA-N -1 1 382.841 0.700 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)[C@@H](C)C(C)(C)C ZINC001573607515 947549933 /nfs/dbraw/zinc/54/99/33/947549933.db2.gz OHSIQLHMAYAEKR-CHWSQXEVSA-N -1 1 390.492 0.630 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573607635 947550638 /nfs/dbraw/zinc/55/06/38/947550638.db2.gz QBMASIUYNSSQIW-LBPRGKRZSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573607635 947550649 /nfs/dbraw/zinc/55/06/49/947550649.db2.gz QBMASIUYNSSQIW-LBPRGKRZSA-N -1 1 383.416 0.088 20 0 GCADMM COc1cc(NCCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc(OC)c1 ZINC000826180789 947557726 /nfs/dbraw/zinc/55/77/26/947557726.db2.gz XEOLUVOGOLZPPO-UHFFFAOYSA-N -1 1 387.400 0.951 20 0 GCADMM COc1cc(NCCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc(OC)c1 ZINC000826180789 947557739 /nfs/dbraw/zinc/55/77/39/947557739.db2.gz XEOLUVOGOLZPPO-UHFFFAOYSA-N -1 1 387.400 0.951 20 0 GCADMM C[C@@H](C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)c1cccc(O)c1 ZINC001573613530 947565066 /nfs/dbraw/zinc/56/50/66/947565066.db2.gz BTXQTUSHQKBUNQ-SECBINFHSA-N -1 1 383.368 0.022 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573613586 947565503 /nfs/dbraw/zinc/56/55/03/947565503.db2.gz CXVJNKNPPLPDIE-MELADBBJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573613586 947565510 /nfs/dbraw/zinc/56/55/10/947565510.db2.gz CXVJNKNPPLPDIE-MELADBBJSA-N -1 1 379.428 0.899 20 0 GCADMM COc1ccc(-n2cc(CNC(=O)Cc3noc(C)c3-c3nnn[n-]3)nn2)cc1 ZINC000826186732 947571229 /nfs/dbraw/zinc/57/12/29/947571229.db2.gz IOBZYESUXMPSCV-UHFFFAOYSA-N -1 1 395.383 0.611 20 0 GCADMM COc1ccc(-n2cc(CNC(=O)Cc3noc(C)c3-c3nn[n-]n3)nn2)cc1 ZINC000826186732 947571244 /nfs/dbraw/zinc/57/12/44/947571244.db2.gz IOBZYESUXMPSCV-UHFFFAOYSA-N -1 1 395.383 0.611 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001573613858 947572667 /nfs/dbraw/zinc/57/26/67/947572667.db2.gz JRFVKDWBPBIKLE-RMRHIDDWSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001573613858 947572672 /nfs/dbraw/zinc/57/26/72/947572672.db2.gz JRFVKDWBPBIKLE-RMRHIDDWSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573613881 947573957 /nfs/dbraw/zinc/57/39/57/947573957.db2.gz BBZLOKVYLIKPDM-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573613881 947573963 /nfs/dbraw/zinc/57/39/63/947573963.db2.gz BBZLOKVYLIKPDM-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573614157 947577958 /nfs/dbraw/zinc/57/79/58/947577958.db2.gz CKSYAXARYBUNQR-RYUDHWBXSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573614157 947577964 /nfs/dbraw/zinc/57/79/64/947577964.db2.gz CKSYAXARYBUNQR-RYUDHWBXSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573614229 947581822 /nfs/dbraw/zinc/58/18/22/947581822.db2.gz DIKQBXXNEDMNCC-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573614229 947581835 /nfs/dbraw/zinc/58/18/35/947581835.db2.gz DIKQBXXNEDMNCC-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573614343 947583655 /nfs/dbraw/zinc/58/36/55/947583655.db2.gz MAZHEVWTJLFECP-UPJWGTAASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573614343 947583665 /nfs/dbraw/zinc/58/36/65/947583665.db2.gz MAZHEVWTJLFECP-UPJWGTAASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573614621 947588414 /nfs/dbraw/zinc/58/84/14/947588414.db2.gz NRJHVZJIRYIDRF-SJCJKPOMSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573614621 947588423 /nfs/dbraw/zinc/58/84/23/947588423.db2.gz NRJHVZJIRYIDRF-SJCJKPOMSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001573614756 947591297 /nfs/dbraw/zinc/59/12/97/947591297.db2.gz OVCSTTMGUHKGNV-XPCVCDNBSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573614756 947591307 /nfs/dbraw/zinc/59/13/07/947591307.db2.gz OVCSTTMGUHKGNV-XPCVCDNBSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cncn1 ZINC001573615557 947607137 /nfs/dbraw/zinc/60/71/37/947607137.db2.gz SJCCVFBHOJNFPG-QWRGUYRKSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cncn1 ZINC001573615557 947607143 /nfs/dbraw/zinc/60/71/43/947607143.db2.gz SJCCVFBHOJNFPG-QWRGUYRKSA-N -1 1 383.420 0.158 20 0 GCADMM COc1ccc(OC)c([C@@H](O)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826210989 947615650 /nfs/dbraw/zinc/61/56/50/947615650.db2.gz LRGYEOQHECTSBK-ZDUSSCGKSA-N -1 1 388.384 0.573 20 0 GCADMM COc1ccc(OC)c([C@@H](O)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826210989 947615662 /nfs/dbraw/zinc/61/56/62/947615662.db2.gz LRGYEOQHECTSBK-ZDUSSCGKSA-N -1 1 388.384 0.573 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573617361 947634247 /nfs/dbraw/zinc/63/42/47/947634247.db2.gz OXPVEAFPQPSQPI-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573617361 947634254 /nfs/dbraw/zinc/63/42/54/947634254.db2.gz OXPVEAFPQPSQPI-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)cc1 ZINC001573354643 947634921 /nfs/dbraw/zinc/63/49/21/947634921.db2.gz GIYSVCIUQPVQOZ-CABCVRRESA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)cc1 ZINC001573354643 947634931 /nfs/dbraw/zinc/63/49/31/947634931.db2.gz GIYSVCIUQPVQOZ-CABCVRRESA-N -1 1 392.423 0.669 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573618843 947654607 /nfs/dbraw/zinc/65/46/07/947654607.db2.gz SRZXNWMNCRZIIJ-JSGCOSHPSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573618844 947655937 /nfs/dbraw/zinc/65/59/37/947655937.db2.gz SRZXNWMNCRZIIJ-OCCSQVGLSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573618903 947656788 /nfs/dbraw/zinc/65/67/88/947656788.db2.gz SVRSVNHNUUINAM-CHWSQXEVSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573618903 947656797 /nfs/dbraw/zinc/65/67/97/947656797.db2.gz SVRSVNHNUUINAM-CHWSQXEVSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573619191 947659517 /nfs/dbraw/zinc/65/95/17/947659517.db2.gz URQNHZRYGBIFGB-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C=Cc1ccc(CCNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001573358631 947665473 /nfs/dbraw/zinc/66/54/73/947665473.db2.gz GJQXVASJNWYPFL-UHFFFAOYSA-N -1 1 381.396 0.521 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573619604 947667286 /nfs/dbraw/zinc/66/72/86/947667286.db2.gz WDWKKXWQMXSHQF-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573619604 947667292 /nfs/dbraw/zinc/66/72/92/947667292.db2.gz WDWKKXWQMXSHQF-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573619618 947667609 /nfs/dbraw/zinc/66/76/09/947667609.db2.gz WFCOSDAYNYHLNW-RYUDHWBXSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573619618 947667616 /nfs/dbraw/zinc/66/76/16/947667616.db2.gz WFCOSDAYNYHLNW-RYUDHWBXSA-N -1 1 382.432 0.454 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)cc1 ZINC001573358840 947672882 /nfs/dbraw/zinc/67/28/82/947672882.db2.gz JEKMSYQMNMFJGX-ZIAGYGMSSA-N -1 1 378.396 0.279 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)cc1 ZINC001573358840 947672891 /nfs/dbraw/zinc/67/28/91/947672891.db2.gz JEKMSYQMNMFJGX-ZIAGYGMSSA-N -1 1 378.396 0.279 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CN(c3ccccc3)C2=O)cc1-c1nn[n-]n1 ZINC000826229606 947672838 /nfs/dbraw/zinc/67/28/38/947672838.db2.gz KRHKGPYYVQBFPE-LBPRGKRZSA-N -1 1 397.420 0.834 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)cc1 ZINC001573358837 947673287 /nfs/dbraw/zinc/67/32/87/947673287.db2.gz JEKMSYQMNMFJGX-KGLIPLIRSA-N -1 1 378.396 0.279 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)cc1 ZINC001573358837 947673291 /nfs/dbraw/zinc/67/32/91/947673291.db2.gz JEKMSYQMNMFJGX-KGLIPLIRSA-N -1 1 378.396 0.279 20 0 GCADMM C[C@@H](C(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2)C1CC1 ZINC001573623678 947690974 /nfs/dbraw/zinc/69/09/74/947690974.db2.gz HOYFCXWWXGKOON-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](C(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2)C1CC1 ZINC001573623678 947690976 /nfs/dbraw/zinc/69/09/76/947690976.db2.gz HOYFCXWWXGKOON-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(C)C ZINC001573626913 947715591 /nfs/dbraw/zinc/71/55/91/947715591.db2.gz XJBVJPKYDZONGE-LBPRGKRZSA-N -1 1 388.476 0.526 20 0 GCADMM C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001573626969 947717495 /nfs/dbraw/zinc/71/74/95/947717495.db2.gz YFAOHNVYGJLRDW-LBPRGKRZSA-N -1 1 379.428 0.680 20 0 GCADMM C[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573627134 947720236 /nfs/dbraw/zinc/72/02/36/947720236.db2.gz ZHEAOAAEAYLXBF-LLVKDONJSA-N -1 1 382.432 0.019 20 0 GCADMM CC(=O)CCC(C)(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573364642 947722568 /nfs/dbraw/zinc/72/25/68/947722568.db2.gz IDBHBQFKVCBVIU-UHFFFAOYSA-N -1 1 376.421 0.760 20 0 GCADMM CC(=O)CCC(C)(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573364642 947722579 /nfs/dbraw/zinc/72/25/79/947722579.db2.gz IDBHBQFKVCBVIU-UHFFFAOYSA-N -1 1 376.421 0.760 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573627365 947722667 /nfs/dbraw/zinc/72/26/67/947722667.db2.gz AJKYUBYNKSOHHX-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573627365 947722674 /nfs/dbraw/zinc/72/26/74/947722674.db2.gz AJKYUBYNKSOHHX-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573627788 947734829 /nfs/dbraw/zinc/73/48/29/947734829.db2.gz CKYMTGWGNFOOIJ-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573627788 947734833 /nfs/dbraw/zinc/73/48/33/947734833.db2.gz CKYMTGWGNFOOIJ-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573627906 947737704 /nfs/dbraw/zinc/73/77/04/947737704.db2.gz HEKWXQGGEBIFFS-DGCLKSJQSA-N -1 1 382.432 0.019 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573628145 947744862 /nfs/dbraw/zinc/74/48/62/947744862.db2.gz FPVPPQCMHZPGTI-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573628145 947744877 /nfs/dbraw/zinc/74/48/77/947744877.db2.gz FPVPPQCMHZPGTI-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573628108 947745841 /nfs/dbraw/zinc/74/58/41/947745841.db2.gz ISNUWCMMDGOKRB-KGLIPLIRSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573628213 947747633 /nfs/dbraw/zinc/74/76/33/947747633.db2.gz GKQTYHUOSAHBIB-XIKOKIGWSA-N -1 1 388.476 0.526 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573628279 947751346 /nfs/dbraw/zinc/75/13/46/947751346.db2.gz KEDSXXZDCZCUDA-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573628279 947751351 /nfs/dbraw/zinc/75/13/51/947751351.db2.gz KEDSXXZDCZCUDA-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628347 947751833 /nfs/dbraw/zinc/75/18/33/947751833.db2.gz HBAABQZDWQSNBT-MNOVXSKESA-N -1 1 375.437 0.159 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628348 947753161 /nfs/dbraw/zinc/75/31/61/947753161.db2.gz HBAABQZDWQSNBT-QWRGUYRKSA-N -1 1 375.437 0.159 20 0 GCADMM CC(=CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cnccn1 ZINC001573367053 947753340 /nfs/dbraw/zinc/75/33/40/947753340.db2.gz ZVYACFHGDNYGOL-CSKARUKUSA-N -1 1 382.388 0.258 20 0 GCADMM CC(=CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1cnccn1 ZINC001573367053 947753348 /nfs/dbraw/zinc/75/33/48/947753348.db2.gz ZVYACFHGDNYGOL-CSKARUKUSA-N -1 1 382.388 0.258 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628349 947753621 /nfs/dbraw/zinc/75/36/21/947753621.db2.gz HBAABQZDWQSNBT-WDEREUQCSA-N -1 1 375.437 0.159 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573628613 947759960 /nfs/dbraw/zinc/75/99/60/947759960.db2.gz JBCXSZUHISGZJQ-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573628613 947759968 /nfs/dbraw/zinc/75/99/68/947759968.db2.gz JBCXSZUHISGZJQ-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628972 947769117 /nfs/dbraw/zinc/76/91/17/947769117.db2.gz PQXDAGBPFFCOII-RYUDHWBXSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628972 947769127 /nfs/dbraw/zinc/76/91/27/947769127.db2.gz PQXDAGBPFFCOII-RYUDHWBXSA-N -1 1 383.420 0.302 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573368773 947770048 /nfs/dbraw/zinc/77/00/48/947770048.db2.gz OXLOUDUKQGSPFB-TZMCWYRMSA-N -1 1 386.460 0.734 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573629327 947777484 /nfs/dbraw/zinc/77/74/84/947777484.db2.gz OGUFHQWQNJOGAU-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573629327 947777489 /nfs/dbraw/zinc/77/74/89/947777489.db2.gz OGUFHQWQNJOGAU-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573629347 947777799 /nfs/dbraw/zinc/77/77/99/947777799.db2.gz SCVPQUMHJHEOPX-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573629347 947777805 /nfs/dbraw/zinc/77/78/05/947777805.db2.gz SCVPQUMHJHEOPX-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573372786 947781450 /nfs/dbraw/zinc/78/14/50/947781450.db2.gz CIXNVBIPCGRCQT-LSDHHAIUSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573372786 947781458 /nfs/dbraw/zinc/78/14/58/947781458.db2.gz CIXNVBIPCGRCQT-LSDHHAIUSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573631103 947796571 /nfs/dbraw/zinc/79/65/71/947796571.db2.gz SWDWRMWKEOKACI-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573631103 947796579 /nfs/dbraw/zinc/79/65/79/947796579.db2.gz SWDWRMWKEOKACI-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573631186 947800369 /nfs/dbraw/zinc/80/03/69/947800369.db2.gz UFJPIHIYORDOML-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573631186 947800376 /nfs/dbraw/zinc/80/03/76/947800376.db2.gz UFJPIHIYORDOML-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573374577 947809411 /nfs/dbraw/zinc/80/94/11/947809411.db2.gz OBXGKGMZDYFJLM-GOSISDBHSA-N -1 1 384.444 0.845 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccnc1 ZINC001573637644 947818900 /nfs/dbraw/zinc/81/89/00/947818900.db2.gz LVOYEXMRYZZAGN-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccnc1 ZINC001573637644 947818903 /nfs/dbraw/zinc/81/89/03/947818903.db2.gz LVOYEXMRYZZAGN-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cnn(C)c1 ZINC001573637616 947820159 /nfs/dbraw/zinc/82/01/59/947820159.db2.gz KOGHYNACZCRSMX-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cnn(C)c1 ZINC001573637616 947820166 /nfs/dbraw/zinc/82/01/66/947820166.db2.gz KOGHYNACZCRSMX-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573375643 947822998 /nfs/dbraw/zinc/82/29/98/947822998.db2.gz PSPIBRINXJMDJE-CYBMUJFWSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573375643 947823005 /nfs/dbraw/zinc/82/30/05/947823005.db2.gz PSPIBRINXJMDJE-CYBMUJFWSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573637729 947823124 /nfs/dbraw/zinc/82/31/24/947823124.db2.gz OINJLGJAPMDMRG-QWHCGFSZSA-N -1 1 388.476 0.790 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573375620 947824110 /nfs/dbraw/zinc/82/41/10/947824110.db2.gz PLERSNDKAGWDCK-CQSZACIVSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573375620 947824116 /nfs/dbraw/zinc/82/41/16/947824116.db2.gz PLERSNDKAGWDCK-CQSZACIVSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573638184 947835123 /nfs/dbraw/zinc/83/51/23/947835123.db2.gz ILRATLLCMLZNKD-QWRGUYRKSA-N -1 1 391.436 0.535 20 0 GCADMM Cc1onc(CC(=O)N2CCC(N(C)c3ccc(C)nn3)CC2)c1-c1nnn[n-]1 ZINC000826289989 947844124 /nfs/dbraw/zinc/84/41/24/947844124.db2.gz VHPQTOWULJTSSW-UHFFFAOYSA-N -1 1 397.443 0.931 20 0 GCADMM Cc1onc(CC(=O)N2CCC(N(C)c3ccc(C)nn3)CC2)c1-c1nn[n-]n1 ZINC000826289989 947844132 /nfs/dbraw/zinc/84/41/32/947844132.db2.gz VHPQTOWULJTSSW-UHFFFAOYSA-N -1 1 397.443 0.931 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001573377386 947847940 /nfs/dbraw/zinc/84/79/40/947847940.db2.gz MACFJYNUURZOGG-ACJLOTCBSA-N -1 1 384.444 0.701 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001573377386 947847943 /nfs/dbraw/zinc/84/79/43/947847943.db2.gz MACFJYNUURZOGG-ACJLOTCBSA-N -1 1 384.444 0.701 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573641761 947858252 /nfs/dbraw/zinc/85/82/52/947858252.db2.gz NDXGAVGKWSMVEE-VXGBXAGGSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573641761 947858261 /nfs/dbraw/zinc/85/82/61/947858261.db2.gz NDXGAVGKWSMVEE-VXGBXAGGSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1cccc1 ZINC001573646409 947875435 /nfs/dbraw/zinc/87/54/35/947875435.db2.gz LXVLJUXSBDMNJT-KCQAQPDRSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1cccc1 ZINC001573646409 947875444 /nfs/dbraw/zinc/87/54/44/947875444.db2.gz LXVLJUXSBDMNJT-KCQAQPDRSA-N -1 1 379.428 0.757 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573381484 947875517 /nfs/dbraw/zinc/87/55/17/947875517.db2.gz WDMZMMGHBXNTCQ-MRVPVSSYSA-N -1 1 387.853 0.625 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccc1 ZINC001573646870 947880904 /nfs/dbraw/zinc/88/09/04/947880904.db2.gz XTVOWXSWGBSKAJ-VNHYZAJKSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001573646870 947880915 /nfs/dbraw/zinc/88/09/15/947880915.db2.gz XTVOWXSWGBSKAJ-VNHYZAJKSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C(C)(F)F ZINC001573647018 947882413 /nfs/dbraw/zinc/88/24/13/947882413.db2.gz AFGZIFLIZCFSMT-GARJFASQSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C(C)(F)F ZINC001573647018 947882419 /nfs/dbraw/zinc/88/24/19/947882419.db2.gz AFGZIFLIZCFSMT-GARJFASQSA-N -1 1 378.387 0.843 20 0 GCADMM CC(=O)CCCC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573382727 947885649 /nfs/dbraw/zinc/88/56/49/947885649.db2.gz JVITUIDXICHCIW-TZMCWYRMSA-N -1 1 386.460 0.995 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C(C)(F)F ZINC001573647228 947887717 /nfs/dbraw/zinc/88/77/17/947887717.db2.gz FNAAMDLQMBMYRK-GARJFASQSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C(C)(F)F ZINC001573647228 947887724 /nfs/dbraw/zinc/88/77/24/947887724.db2.gz FNAAMDLQMBMYRK-GARJFASQSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)C(C)(F)F ZINC001573647430 947894045 /nfs/dbraw/zinc/89/40/45/947894045.db2.gz KYJGZHSHRBYONB-GMTAPVOTSA-N -1 1 380.403 0.876 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)C(C)(F)F ZINC001573647431 947895207 /nfs/dbraw/zinc/89/52/07/947895207.db2.gz KYJGZHSHRBYONB-OUAUKWLOSA-N -1 1 380.403 0.876 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573650989 947915189 /nfs/dbraw/zinc/91/51/89/947915189.db2.gz HRBQZGLFCJULTA-GUIRCDHDSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573650989 947915198 /nfs/dbraw/zinc/91/51/98/947915198.db2.gz HRBQZGLFCJULTA-GUIRCDHDSA-N -1 1 384.444 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573388256 947916510 /nfs/dbraw/zinc/91/65/10/947916510.db2.gz JUWCQVQOISVCBC-ZDUSSCGKSA-N -1 1 389.464 0.420 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573388256 947916512 /nfs/dbraw/zinc/91/65/12/947916512.db2.gz JUWCQVQOISVCBC-ZDUSSCGKSA-N -1 1 389.464 0.420 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573388592 947918276 /nfs/dbraw/zinc/91/82/76/947918276.db2.gz MCRLRBNIYZRDSU-CYBMUJFWSA-N -1 1 389.464 0.420 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573388592 947918281 /nfs/dbraw/zinc/91/82/81/947918281.db2.gz MCRLRBNIYZRDSU-CYBMUJFWSA-N -1 1 389.464 0.420 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573651290 947919357 /nfs/dbraw/zinc/91/93/57/947919357.db2.gz KZPSIOCUMAGYIQ-XBFCOCLRSA-N -1 1 377.412 0.645 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573651290 947919361 /nfs/dbraw/zinc/91/93/61/947919361.db2.gz KZPSIOCUMAGYIQ-XBFCOCLRSA-N -1 1 377.412 0.645 20 0 GCADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573651288 947919998 /nfs/dbraw/zinc/91/99/98/947919998.db2.gz KZPSIOCUMAGYIQ-UBHSHLNASA-N -1 1 377.412 0.645 20 0 GCADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573651288 947920007 /nfs/dbraw/zinc/92/00/07/947920007.db2.gz KZPSIOCUMAGYIQ-UBHSHLNASA-N -1 1 377.412 0.645 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573388664 947920075 /nfs/dbraw/zinc/92/00/75/947920075.db2.gz NMPNRHCFEMMCIT-SSDOTTSWSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573388665 947920095 /nfs/dbraw/zinc/92/00/95/947920095.db2.gz NMPNRHCFEMMCIT-ZETCQYMHSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573389117 947924632 /nfs/dbraw/zinc/92/46/32/947924632.db2.gz QLSCRNSSRONSLY-CYBMUJFWSA-N -1 1 389.464 0.420 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573389117 947924636 /nfs/dbraw/zinc/92/46/36/947924636.db2.gz QLSCRNSSRONSLY-CYBMUJFWSA-N -1 1 389.464 0.420 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573390652 947929431 /nfs/dbraw/zinc/92/94/31/947929431.db2.gz ZTGBBJDVXDGYNK-SSDOTTSWSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573390652 947929436 /nfs/dbraw/zinc/92/94/36/947929436.db2.gz ZTGBBJDVXDGYNK-SSDOTTSWSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573391415 947933675 /nfs/dbraw/zinc/93/36/75/947933675.db2.gz HFMHUXMBBZYYBO-CYBMUJFWSA-N -1 1 387.448 0.236 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573391415 947933684 /nfs/dbraw/zinc/93/36/84/947933684.db2.gz HFMHUXMBBZYYBO-CYBMUJFWSA-N -1 1 387.448 0.236 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001573391444 947936007 /nfs/dbraw/zinc/93/60/07/947936007.db2.gz IKZFLYBEAMAXMG-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001573391444 947936012 /nfs/dbraw/zinc/93/60/12/947936012.db2.gz IKZFLYBEAMAXMG-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573391835 947937547 /nfs/dbraw/zinc/93/75/47/947937547.db2.gz MDBASZRDFLAGRF-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573391835 947937555 /nfs/dbraw/zinc/93/75/55/947937555.db2.gz MDBASZRDFLAGRF-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573391979 947940157 /nfs/dbraw/zinc/94/01/57/947940157.db2.gz NNUJJFHNKPVKBU-YPMHNXCESA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573391979 947940168 /nfs/dbraw/zinc/94/01/68/947940168.db2.gz NNUJJFHNKPVKBU-YPMHNXCESA-N -1 1 387.448 0.317 20 0 GCADMM Cc1nc(C)n(C[C@H]2CCCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)n1 ZINC000826324610 947947883 /nfs/dbraw/zinc/94/78/83/947947883.db2.gz XWLIVDARNOFSIL-ZDUSSCGKSA-N -1 1 385.432 0.853 20 0 GCADMM Cc1nc(C)n(C[C@H]2CCCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)n1 ZINC000826324610 947947891 /nfs/dbraw/zinc/94/78/91/947947891.db2.gz XWLIVDARNOFSIL-ZDUSSCGKSA-N -1 1 385.432 0.853 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573392671 947950244 /nfs/dbraw/zinc/95/02/44/947950244.db2.gz DKQCZMPUISSOGZ-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573392671 947950254 /nfs/dbraw/zinc/95/02/54/947950254.db2.gz DKQCZMPUISSOGZ-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573392686 947950538 /nfs/dbraw/zinc/95/05/38/947950538.db2.gz FAPHUCSWWMOFNC-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573392686 947950545 /nfs/dbraw/zinc/95/05/45/947950545.db2.gz FAPHUCSWWMOFNC-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM Cc1nc(S(=O)(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cs1 ZINC000826327307 947954444 /nfs/dbraw/zinc/95/44/44/947954444.db2.gz BYIWXSWZXGGCMM-UHFFFAOYSA-N -1 1 395.470 0.731 20 0 GCADMM Cc1nc(S(=O)(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)cs1 ZINC000826327307 947954450 /nfs/dbraw/zinc/95/44/50/947954450.db2.gz BYIWXSWZXGGCMM-UHFFFAOYSA-N -1 1 395.470 0.731 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cnn(C)c1 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ZINC001573404236 948018466 /nfs/dbraw/zinc/01/84/66/948018466.db2.gz AVWLFJQFRWRNMJ-UHFFFAOYSA-N -1 1 384.853 0.516 20 0 GCADMM C[C@H](C(=O)N[C@H](COC(N)=O)Cc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573660119 948020101 /nfs/dbraw/zinc/02/01/01/948020101.db2.gz ZABOJMKUQZKAIB-PWSUYJOCSA-N -1 1 385.388 0.256 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826345226 948021182 /nfs/dbraw/zinc/02/11/82/948021182.db2.gz GTEJZPJCWUOXGU-RYUDHWBXSA-N -1 1 380.430 0.274 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826345226 948021189 /nfs/dbraw/zinc/02/11/89/948021189.db2.gz GTEJZPJCWUOXGU-RYUDHWBXSA-N -1 1 380.430 0.274 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826345224 948021266 /nfs/dbraw/zinc/02/12/66/948021266.db2.gz GTEJZPJCWUOXGU-NEPJUHHUSA-N -1 1 380.430 0.274 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826345224 948021272 /nfs/dbraw/zinc/02/12/72/948021272.db2.gz GTEJZPJCWUOXGU-NEPJUHHUSA-N -1 1 380.430 0.274 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826345411 948023375 /nfs/dbraw/zinc/02/33/75/948023375.db2.gz KOXZFDLMUNDTGC-QMMMGPOBSA-N -1 1 391.413 0.230 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826345411 948023384 /nfs/dbraw/zinc/02/33/84/948023384.db2.gz KOXZFDLMUNDTGC-QMMMGPOBSA-N -1 1 391.413 0.230 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345351 948024115 /nfs/dbraw/zinc/02/41/15/948024115.db2.gz JTLHAPQLDWOEJC-INIZCTEOSA-N -1 1 397.439 0.895 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345351 948024124 /nfs/dbraw/zinc/02/41/24/948024124.db2.gz JTLHAPQLDWOEJC-INIZCTEOSA-N -1 1 397.439 0.895 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1-c1nnn[n-]1 ZINC000826345427 948024392 /nfs/dbraw/zinc/02/43/92/948024392.db2.gz KSLJSRQYWVPHKM-AAEUAGOBSA-N -1 1 388.384 0.650 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1-c1nn[n-]n1 ZINC000826345427 948024401 /nfs/dbraw/zinc/02/44/01/948024401.db2.gz KSLJSRQYWVPHKM-AAEUAGOBSA-N -1 1 388.384 0.650 20 0 GCADMM Cc1onc(CC(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1-c1nn[n-]n1 ZINC000826345665 948028873 /nfs/dbraw/zinc/02/88/73/948028873.db2.gz QPKUKYOBMIGHHE-NSHDSACASA-N -1 1 399.375 0.387 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573404841 948032663 /nfs/dbraw/zinc/03/26/63/948032663.db2.gz WVBTVWVGUGIVFD-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM C[C@H](C(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573663326 948034450 /nfs/dbraw/zinc/03/44/50/948034450.db2.gz LKPODGHGPLUDLS-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573405105 948037515 /nfs/dbraw/zinc/03/75/15/948037515.db2.gz XWRXQTLZYQPMEH-STQMWFEESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573405105 948037524 /nfs/dbraw/zinc/03/75/24/948037524.db2.gz XWRXQTLZYQPMEH-STQMWFEESA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573663835 948042825 /nfs/dbraw/zinc/04/28/25/948042825.db2.gz ARVVSESOQPFPEO-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573663835 948042836 /nfs/dbraw/zinc/04/28/36/948042836.db2.gz ARVVSESOQPFPEO-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM Cc1onc(CC(=O)NCCCNC(=O)c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826346986 948049110 /nfs/dbraw/zinc/04/91/10/948049110.db2.gz AHVMYFLSYYIWFS-UHFFFAOYSA-N -1 1 387.375 0.781 20 0 GCADMM Cc1onc(CC(=O)NCCCNC(=O)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826346986 948049119 /nfs/dbraw/zinc/04/91/19/948049119.db2.gz AHVMYFLSYYIWFS-UHFFFAOYSA-N -1 1 387.375 0.781 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573406530 948053149 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20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573406821 948056974 /nfs/dbraw/zinc/05/69/74/948056974.db2.gz VUTYBJHZFWATQR-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573406798 948057643 /nfs/dbraw/zinc/05/76/43/948057643.db2.gz UNIGCLXWSGNMAS-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573406798 948057655 /nfs/dbraw/zinc/05/76/55/948057655.db2.gz UNIGCLXWSGNMAS-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573406961 948059925 /nfs/dbraw/zinc/05/99/25/948059925.db2.gz XUORKECTCUWYJP-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573406961 948059931 /nfs/dbraw/zinc/05/99/31/948059931.db2.gz XUORKECTCUWYJP-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nn[n-]n1 ZINC001573406970 948060011 /nfs/dbraw/zinc/06/00/11/948060011.db2.gz YQUOPIJFDWNKOY-UTUOFQBUSA-N -1 1 390.473 0.336 20 0 GCADMM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573664723 948060429 /nfs/dbraw/zinc/06/04/29/948060429.db2.gz XVQLLXOBUHSGMF-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573664723 948060437 /nfs/dbraw/zinc/06/04/37/948060437.db2.gz XVQLLXOBUHSGMF-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573664691 948061158 /nfs/dbraw/zinc/06/11/58/948061158.db2.gz GEHXXKZTOGDKGZ-PNESKVBLSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573664691 948061167 /nfs/dbraw/zinc/06/11/67/948061167.db2.gz GEHXXKZTOGDKGZ-PNESKVBLSA-N -1 1 382.432 0.954 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826347946 948064036 /nfs/dbraw/zinc/06/40/36/948064036.db2.gz MYWCEBGCLPUNJO-UHFFFAOYSA-N -1 1 391.413 0.394 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826347946 948064044 /nfs/dbraw/zinc/06/40/44/948064044.db2.gz MYWCEBGCLPUNJO-UHFFFAOYSA-N -1 1 391.413 0.394 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826348160 948067241 /nfs/dbraw/zinc/06/72/41/948067241.db2.gz XSYLSKNQWIKGIT-UHFFFAOYSA-N -1 1 376.398 0.426 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826348160 948067249 /nfs/dbraw/zinc/06/72/49/948067249.db2.gz XSYLSKNQWIKGIT-UHFFFAOYSA-N -1 1 376.398 0.426 20 0 GCADMM Cc1nnnn1-c1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccc1F ZINC000826348611 948079199 /nfs/dbraw/zinc/07/91/99/948079199.db2.gz VRNXOAPWXZLVLP-UHFFFAOYSA-N -1 1 384.335 0.768 20 0 GCADMM Cc1nnnn1-c1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccc1F ZINC000826348611 948079207 /nfs/dbraw/zinc/07/92/07/948079207.db2.gz VRNXOAPWXZLVLP-UHFFFAOYSA-N -1 1 384.335 0.768 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573665999 948080274 /nfs/dbraw/zinc/08/02/74/948080274.db2.gz OLVYLUZQKZKYRN-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573665999 948080289 /nfs/dbraw/zinc/08/02/89/948080289.db2.gz OLVYLUZQKZKYRN-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573413651 948083787 /nfs/dbraw/zinc/08/37/87/948083787.db2.gz COVBCRUXMPGSTC-QMMMGPOBSA-N -1 1 378.462 0.369 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1-c1nnn[n-]1 ZINC000826348953 948084640 /nfs/dbraw/zinc/08/46/40/948084640.db2.gz NHMGGSZIMXFYJD-UHFFFAOYSA-N -1 1 396.367 0.743 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1-c1nn[n-]n1 ZINC000826348953 948084648 /nfs/dbraw/zinc/08/46/48/948084648.db2.gz NHMGGSZIMXFYJD-UHFFFAOYSA-N -1 1 396.367 0.743 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573666472 948087220 /nfs/dbraw/zinc/08/72/20/948087220.db2.gz TYUWXORATLBPPF-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM Cc1onc(CC(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c1-c1nnn[n-]1 ZINC000826349211 948089758 /nfs/dbraw/zinc/08/97/58/948089758.db2.gz ZOQCACSTVUWRBQ-UHFFFAOYSA-N -1 1 393.367 0.629 20 0 GCADMM Cc1onc(CC(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c1-c1nn[n-]n1 ZINC000826349211 948089770 /nfs/dbraw/zinc/08/97/70/948089770.db2.gz ZOQCACSTVUWRBQ-UHFFFAOYSA-N -1 1 393.367 0.629 20 0 GCADMM CC(=O)N1CC(C(=O)N2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001573414463 948092176 /nfs/dbraw/zinc/09/21/76/948092176.db2.gz MOZOJSJIUBEMMS-QPUJVOFHSA-N -1 1 390.473 0.511 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CC(C)(C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573414676 948097956 /nfs/dbraw/zinc/09/79/56/948097956.db2.gz NCOBYSSEFWAQFU-UHFFFAOYSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CC(C)(C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573414676 948097964 /nfs/dbraw/zinc/09/79/64/948097964.db2.gz NCOBYSSEFWAQFU-UHFFFAOYSA-N -1 1 387.448 0.032 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2CC(=O)c2ccco2)n(C)c1=O ZINC000826355839 948109118 /nfs/dbraw/zinc/10/91/18/948109118.db2.gz PDLIITPQCYBXPM-SNVBAGLBSA-N -1 1 385.384 0.099 20 0 GCADMM CC(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)=C1CCCC1 ZINC001573676197 948125094 /nfs/dbraw/zinc/12/50/94/948125094.db2.gz SKMYEUKMGFIYCO-UKRRQHHQSA-N -1 1 384.444 0.603 20 0 GCADMM CC(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)=C1CCCC1 ZINC001573676197 948125097 /nfs/dbraw/zinc/12/50/97/948125097.db2.gz SKMYEUKMGFIYCO-UKRRQHHQSA-N -1 1 384.444 0.603 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C)C1 ZINC001573419712 948126377 /nfs/dbraw/zinc/12/63/77/948126377.db2.gz PXHGRZWRFNSHAR-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C)C1 ZINC001573419712 948126385 /nfs/dbraw/zinc/12/63/85/948126385.db2.gz PXHGRZWRFNSHAR-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cccn1 ZINC001573677005 948130922 /nfs/dbraw/zinc/13/09/22/948130922.db2.gz BPNNBVZSTIHNNF-WCQYABFASA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cccn1 ZINC001573677005 948130925 /nfs/dbraw/zinc/13/09/25/948130925.db2.gz BPNNBVZSTIHNNF-WCQYABFASA-N -1 1 382.432 0.445 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573421647 948139340 /nfs/dbraw/zinc/13/93/40/948139340.db2.gz HNCKJCLHJLQGMP-LLVKDONJSA-N -1 1 390.473 0.052 20 0 GCADMM Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000826364235 948139982 /nfs/dbraw/zinc/13/99/82/948139982.db2.gz PFHWJIAKDCKQEI-JTQLQIEISA-N -1 1 386.441 0.583 20 0 GCADMM Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000826364235 948139990 /nfs/dbraw/zinc/13/99/90/948139990.db2.gz PFHWJIAKDCKQEI-JTQLQIEISA-N -1 1 386.441 0.583 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573423042 948144229 /nfs/dbraw/zinc/14/42/29/948144229.db2.gz MBDHMXVZPLPTBM-QMMMGPOBSA-N -1 1 378.462 0.417 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573678662 948152766 /nfs/dbraw/zinc/15/27/66/948152766.db2.gz GGEBEOFQXDPLLQ-AAEUAGOBSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573678662 948152770 /nfs/dbraw/zinc/15/27/70/948152770.db2.gz GGEBEOFQXDPLLQ-AAEUAGOBSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573678666 948153131 /nfs/dbraw/zinc/15/31/31/948153131.db2.gz GGEBEOFQXDPLLQ-DGCLKSJQSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573678666 948153133 /nfs/dbraw/zinc/15/31/33/948153133.db2.gz GGEBEOFQXDPLLQ-DGCLKSJQSA-N -1 1 384.448 0.747 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573429404 948171857 /nfs/dbraw/zinc/17/18/57/948171857.db2.gz IJHXIDBTLKRKBN-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573429404 948171863 /nfs/dbraw/zinc/17/18/63/948171863.db2.gz IJHXIDBTLKRKBN-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573680318 948176597 /nfs/dbraw/zinc/17/65/97/948176597.db2.gz MYJUSGMGUGVBCI-RISCZKNCSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573680318 948176601 /nfs/dbraw/zinc/17/66/01/948176601.db2.gz MYJUSGMGUGVBCI-RISCZKNCSA-N -1 1 384.448 0.747 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573431605 948180670 /nfs/dbraw/zinc/18/06/70/948180670.db2.gz XQDKATDORAUIFI-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573431605 948180682 /nfs/dbraw/zinc/18/06/82/948180682.db2.gz XQDKATDORAUIFI-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cnn(C)c1 ZINC001573680664 948184600 /nfs/dbraw/zinc/18/46/00/948184600.db2.gz PDDGTULLRVSDGO-MFKMUULPSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cnn(C)c1 ZINC001573680664 948184605 /nfs/dbraw/zinc/18/46/05/948184605.db2.gz PDDGTULLRVSDGO-MFKMUULPSA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573432561 948190264 /nfs/dbraw/zinc/19/02/64/948190264.db2.gz GYCDMIMQGAZSJF-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573432561 948190272 /nfs/dbraw/zinc/19/02/72/948190272.db2.gz GYCDMIMQGAZSJF-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573432567 948190314 /nfs/dbraw/zinc/19/03/14/948190314.db2.gz GYCDMIMQGAZSJF-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573432567 948190321 /nfs/dbraw/zinc/19/03/21/948190321.db2.gz GYCDMIMQGAZSJF-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573681382 948202153 /nfs/dbraw/zinc/20/21/53/948202153.db2.gz VESUNGVANIPMLD-WCQYABFASA-N -1 1 384.448 0.169 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573433682 948205304 /nfs/dbraw/zinc/20/53/04/948205304.db2.gz NKJQUHXMZXHPHR-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573433682 948205314 /nfs/dbraw/zinc/20/53/14/948205314.db2.gz NKJQUHXMZXHPHR-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573433684 948205927 /nfs/dbraw/zinc/20/59/27/948205927.db2.gz NKJQUHXMZXHPHR-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573433684 948205935 /nfs/dbraw/zinc/20/59/35/948205935.db2.gz NKJQUHXMZXHPHR-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573433680 948206323 /nfs/dbraw/zinc/20/63/23/948206323.db2.gz NKJQUHXMZXHPHR-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573433680 948206330 /nfs/dbraw/zinc/20/63/30/948206330.db2.gz NKJQUHXMZXHPHR-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@H](N2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)CC2)C1 ZINC001573434045 948207336 /nfs/dbraw/zinc/20/73/36/948207336.db2.gz OHSLQEWHPLXADO-SNVBAGLBSA-N -1 1 382.881 0.719 20 0 GCADMM CC(=O)N1CC[C@H](N2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)CC2)C1 ZINC001573434039 948207674 /nfs/dbraw/zinc/20/76/74/948207674.db2.gz OHSLQEWHPLXADO-JTQLQIEISA-N -1 1 382.881 0.719 20 0 GCADMM CC(=O)N1CC[C@@H](N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)C1 ZINC001573434779 948220050 /nfs/dbraw/zinc/22/00/50/948220050.db2.gz WLXDUAWVLAGMHP-SNVBAGLBSA-N -1 1 382.881 0.719 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573438417 948235948 /nfs/dbraw/zinc/23/59/48/948235948.db2.gz AECOLRHNSRKCNV-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573438417 948235956 /nfs/dbraw/zinc/23/59/56/948235956.db2.gz AECOLRHNSRKCNV-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573438416 948235991 /nfs/dbraw/zinc/23/59/91/948235991.db2.gz AECOLRHNSRKCNV-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573438416 948235999 /nfs/dbraw/zinc/23/59/99/948235999.db2.gz AECOLRHNSRKCNV-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573439795 948252550 /nfs/dbraw/zinc/25/25/50/948252550.db2.gz SIQMCGZCSHCIBD-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573439795 948252561 /nfs/dbraw/zinc/25/25/61/948252561.db2.gz SIQMCGZCSHCIBD-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826425203 948273879 /nfs/dbraw/zinc/27/38/79/948273879.db2.gz UBXVVZCTZRZZBO-SKDRFNHKSA-N -1 1 376.327 0.071 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)Nc2c(C)c(-c3nnn[n-]3)nn2-c2cccnc2)C1 ZINC001573441787 948276009 /nfs/dbraw/zinc/27/60/09/948276009.db2.gz BKVQJBFHGAGEDY-ZDUSSCGKSA-N -1 1 395.427 0.953 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)Nc2c(C)c(-c3nn[n-]n3)nn2-c2cccnc2)C1 ZINC001573441787 948276018 /nfs/dbraw/zinc/27/60/18/948276018.db2.gz BKVQJBFHGAGEDY-ZDUSSCGKSA-N -1 1 395.427 0.953 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573693576 948282687 /nfs/dbraw/zinc/28/26/87/948282687.db2.gz AEIBMJRIABCJCV-VFZGTOFNSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cccnc1 ZINC001573696228 948319551 /nfs/dbraw/zinc/31/95/51/948319551.db2.gz MKSMFRMECUYSGU-NGFQHRJXSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cccnc1 ZINC001573696228 948319562 /nfs/dbraw/zinc/31/95/62/948319562.db2.gz MKSMFRMECUYSGU-NGFQHRJXSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C(C)(F)F ZINC001573696299 948322570 /nfs/dbraw/zinc/32/25/70/948322570.db2.gz NNQSCTVFPQCZDC-XWLWVQCSSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(F)F ZINC001573696299 948322579 /nfs/dbraw/zinc/32/25/79/948322579.db2.gz NNQSCTVFPQCZDC-XWLWVQCSSA-N -1 1 378.387 0.746 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573446179 948323820 /nfs/dbraw/zinc/32/38/20/948323820.db2.gz AIBRHACPWRRHSQ-GXTWGEPZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573446179 948323835 /nfs/dbraw/zinc/32/38/35/948323835.db2.gz AIBRHACPWRRHSQ-GXTWGEPZSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573696390 948323950 /nfs/dbraw/zinc/32/39/50/948323950.db2.gz PKULLXXPIUGOPX-DCBWTQNWSA-N -1 1 379.428 0.584 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573696574 948328384 /nfs/dbraw/zinc/32/83/84/948328384.db2.gz SGGOBHGDLSLMKN-GTNSWQLSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573696574 948328392 /nfs/dbraw/zinc/32/83/92/948328392.db2.gz SGGOBHGDLSLMKN-GTNSWQLSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573696573 948329001 /nfs/dbraw/zinc/32/90/01/948329001.db2.gz SGGOBHGDLSLMKN-DIFFPNOSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573696573 948329009 /nfs/dbraw/zinc/32/90/09/948329009.db2.gz SGGOBHGDLSLMKN-DIFFPNOSSA-N -1 1 384.400 0.111 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573446577 948331585 /nfs/dbraw/zinc/33/15/85/948331585.db2.gz JIQPNVIYMJZEIA-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573446577 948331591 /nfs/dbraw/zinc/33/15/91/948331591.db2.gz JIQPNVIYMJZEIA-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573696738 948332508 /nfs/dbraw/zinc/33/25/08/948332508.db2.gz WPIWXUYVAALCFN-RFAUZJTJSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573696738 948332517 /nfs/dbraw/zinc/33/25/17/948332517.db2.gz WPIWXUYVAALCFN-RFAUZJTJSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001573446707 948335069 /nfs/dbraw/zinc/33/50/69/948335069.db2.gz NLDOMGMNKVSYHU-CYBMUJFWSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001573446707 948335080 /nfs/dbraw/zinc/33/50/80/948335080.db2.gz NLDOMGMNKVSYHU-CYBMUJFWSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(C)(F)F ZINC001573696895 948336236 /nfs/dbraw/zinc/33/62/36/948336236.db2.gz ZGALQPYABRLVSA-XWLWVQCSSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(C)(F)F ZINC001573696895 948336244 /nfs/dbraw/zinc/33/62/44/948336244.db2.gz ZGALQPYABRLVSA-XWLWVQCSSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573702322 948345215 /nfs/dbraw/zinc/34/52/15/948345215.db2.gz DTCJAZABVDVGHA-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573702322 948345222 /nfs/dbraw/zinc/34/52/22/948345222.db2.gz DTCJAZABVDVGHA-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573702605 948347133 /nfs/dbraw/zinc/34/71/33/948347133.db2.gz FVEGBIFJGITIJN-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573702605 948347141 /nfs/dbraw/zinc/34/71/41/948347141.db2.gz FVEGBIFJGITIJN-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM CC(=O)NCCN(C(=O)c1n[nH]cc1I)[C@H](C)C(=O)[O-] ZINC001602757817 971473913 /nfs/dbraw/zinc/47/39/13/971473913.db2.gz MRUAQPQJKWXFLT-ZCFIWIBFSA-N -1 1 394.169 0.066 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CCC(=O)NC1=O ZINC000826479684 948391914 /nfs/dbraw/zinc/39/19/14/948391914.db2.gz FRXDYELVPTVVPG-SECBINFHSA-N -1 1 399.346 0.118 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[n-]n2)n1 ZINC001573705421 948400285 /nfs/dbraw/zinc/40/02/85/948400285.db2.gz WQDYWVXOYPZLLW-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1ccco1 ZINC001573705931 948409321 /nfs/dbraw/zinc/40/93/21/948409321.db2.gz HMZCUWMFMNYWCB-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1ccco1 ZINC001573705931 948409327 /nfs/dbraw/zinc/40/93/27/948409327.db2.gz HMZCUWMFMNYWCB-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1ccco1 ZINC001573705933 948409986 /nfs/dbraw/zinc/40/99/86/948409986.db2.gz HMZCUWMFMNYWCB-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1ccco1 ZINC001573705933 948409991 /nfs/dbraw/zinc/40/99/91/948409991.db2.gz HMZCUWMFMNYWCB-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)n1cccc1 ZINC001573705947 948410068 /nfs/dbraw/zinc/41/00/68/948410068.db2.gz HSHNBVLHGCFIRC-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)n1cccc1 ZINC001573705947 948410072 /nfs/dbraw/zinc/41/00/72/948410072.db2.gz HSHNBVLHGCFIRC-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CCC1 ZINC001573706350 948416989 /nfs/dbraw/zinc/41/69/89/948416989.db2.gz ISFKORUTFVJLQY-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CCC1 ZINC001573706350 948416995 /nfs/dbraw/zinc/41/69/95/948416995.db2.gz ISFKORUTFVJLQY-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CCC1 ZINC001573706352 948417524 /nfs/dbraw/zinc/41/75/24/948417524.db2.gz ISFKORUTFVJLQY-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CCC1 ZINC001573706352 948417529 /nfs/dbraw/zinc/41/75/29/948417529.db2.gz ISFKORUTFVJLQY-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573706418 948418725 /nfs/dbraw/zinc/41/87/25/948418725.db2.gz JARLLTKQUNYOFM-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573706418 948418730 /nfs/dbraw/zinc/41/87/30/948418730.db2.gz JARLLTKQUNYOFM-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001573707235 948430338 /nfs/dbraw/zinc/43/03/38/948430338.db2.gz OEGRFEPAWAIIGW-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001573707235 948430345 /nfs/dbraw/zinc/43/03/45/948430345.db2.gz OEGRFEPAWAIIGW-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573707423 948433815 /nfs/dbraw/zinc/43/38/15/948433815.db2.gz NRLGMCXBMGVZAT-SECBINFHSA-N -1 1 384.366 0.975 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCCC1 ZINC001573707977 948441519 /nfs/dbraw/zinc/44/15/19/948441519.db2.gz QMAMCPRHFSCVTO-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCCC1 ZINC001573707977 948441522 /nfs/dbraw/zinc/44/15/22/948441522.db2.gz QMAMCPRHFSCVTO-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573707981 948441729 /nfs/dbraw/zinc/44/17/29/948441729.db2.gz QMSKYUGIPUVPGF-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573707981 948441732 /nfs/dbraw/zinc/44/17/32/948441732.db2.gz QMSKYUGIPUVPGF-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573708214 948444696 /nfs/dbraw/zinc/44/46/96/948444696.db2.gz RYQYAPNNSNVSAS-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573708214 948444701 /nfs/dbraw/zinc/44/47/01/948444701.db2.gz RYQYAPNNSNVSAS-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573708487 948451348 /nfs/dbraw/zinc/45/13/48/948451348.db2.gz VHBHPWKEQDTMOY-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573708487 948451350 /nfs/dbraw/zinc/45/13/50/948451350.db2.gz VHBHPWKEQDTMOY-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573708726 948457667 /nfs/dbraw/zinc/45/76/67/948457667.db2.gz XOFYXAHXZXMUDI-LBPRGKRZSA-N -1 1 382.432 0.235 20 0 GCADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1cccnc1 ZINC001573717113 948504613 /nfs/dbraw/zinc/50/46/13/948504613.db2.gz BRPWZVBZQIAGQN-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1cccnc1 ZINC001573717113 948504619 /nfs/dbraw/zinc/50/46/19/948504619.db2.gz BRPWZVBZQIAGQN-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NCCc1ccc2c(c1)OCCCO2)n1cnc(-c2nn[n-]n2)n1 ZINC001573717317 948506875 /nfs/dbraw/zinc/50/68/75/948506875.db2.gz LFFCELPFYODCTO-LLVKDONJSA-N -1 1 384.400 0.539 20 0 GCADMM C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573717512 948511090 /nfs/dbraw/zinc/51/10/90/948511090.db2.gz DSLLZHPZTFWOHS-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NCCOCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573718775 948519520 /nfs/dbraw/zinc/51/95/20/948519520.db2.gz SLTNZKHAZKOTJL-SECBINFHSA-N -1 1 388.354 0.424 20 0 GCADMM C[C@H](C(=O)NCCOCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573718775 948519527 /nfs/dbraw/zinc/51/95/27/948519527.db2.gz SLTNZKHAZKOTJL-SECBINFHSA-N -1 1 388.354 0.424 20 0 GCADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573720988 948536141 /nfs/dbraw/zinc/53/61/41/948536141.db2.gz UGTOPAXJUSGIOK-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573720988 948536148 /nfs/dbraw/zinc/53/61/48/948536148.db2.gz UGTOPAXJUSGIOK-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573725568 948543222 /nfs/dbraw/zinc/54/32/22/948543222.db2.gz BDTMQXTTZWTQBA-WZRBSPASSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573725568 948543228 /nfs/dbraw/zinc/54/32/28/948543228.db2.gz BDTMQXTTZWTQBA-WZRBSPASSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccn1 ZINC001573726285 948550435 /nfs/dbraw/zinc/55/04/35/948550435.db2.gz HUMCUSFRZKYDBX-JHJVBQTASA-N -1 1 382.432 0.303 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccn1 ZINC001573726285 948550443 /nfs/dbraw/zinc/55/04/43/948550443.db2.gz HUMCUSFRZKYDBX-JHJVBQTASA-N -1 1 382.432 0.303 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573728140 948558889 /nfs/dbraw/zinc/55/88/89/948558889.db2.gz PITISENWWHDIEH-MXWKQRLJSA-N -1 1 391.436 0.439 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccn1 ZINC001573728960 948563088 /nfs/dbraw/zinc/56/30/88/948563088.db2.gz RNGCGWZPKYONJZ-FRRDWIJNSA-N -1 1 382.432 0.303 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccn1 ZINC001573728960 948563099 /nfs/dbraw/zinc/56/30/99/948563099.db2.gz RNGCGWZPKYONJZ-FRRDWIJNSA-N -1 1 382.432 0.303 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573729580 948569066 /nfs/dbraw/zinc/56/90/66/948569066.db2.gz VCBUWMLMPLALLF-KXUCPTDWSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)S(=O)(=O)C1CCOCC1 ZINC001573730937 948586308 /nfs/dbraw/zinc/58/63/08/948586308.db2.gz STOKNRBVUVLTNI-SECBINFHSA-N -1 1 385.471 0.527 20 0 GCADMM C[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001573731744 948595257 /nfs/dbraw/zinc/59/52/57/948595257.db2.gz YGRGKMDVXDNWGO-BBBLOLIVSA-N -1 1 389.441 0.503 20 0 GCADMM C[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001573731744 948595261 /nfs/dbraw/zinc/59/52/61/948595261.db2.gz YGRGKMDVXDNWGO-BBBLOLIVSA-N -1 1 389.441 0.503 20 0 GCADMM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC001573732095 948599507 /nfs/dbraw/zinc/59/95/07/948599507.db2.gz LAZCYMKKVVTPSM-UWVGGRQHSA-N -1 1 390.429 0.300 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573740403 948634281 /nfs/dbraw/zinc/63/42/81/948634281.db2.gz OBXTVWXJFROJCU-BDAKNGLRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573740403 948634283 /nfs/dbraw/zinc/63/42/83/948634283.db2.gz OBXTVWXJFROJCU-BDAKNGLRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O)C1CC1 ZINC001573740999 948646840 /nfs/dbraw/zinc/64/68/40/948646840.db2.gz WIANSOJLHVHVEJ-VDAHYXPESA-N -1 1 383.865 0.688 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O)C1CC1 ZINC001573740999 948646848 /nfs/dbraw/zinc/64/68/48/948646848.db2.gz WIANSOJLHVHVEJ-VDAHYXPESA-N -1 1 383.865 0.688 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccccc1F ZINC001573741076 948648756 /nfs/dbraw/zinc/64/87/56/948648756.db2.gz SCIFZSRGWWDIGG-HONMWMINSA-N -1 1 398.402 0.265 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccsc1 ZINC001573741164 948650532 /nfs/dbraw/zinc/65/05/32/948650532.db2.gz UNESSRVBPJZGKS-JLLWLGSASA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccsc1 ZINC001573741156 948650570 /nfs/dbraw/zinc/65/05/70/948650570.db2.gz UBLYBGNMZJVHJE-BIMULSAOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccsc1 ZINC001573741156 948650575 /nfs/dbraw/zinc/65/05/75/948650575.db2.gz UBLYBGNMZJVHJE-BIMULSAOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1cccnc1 ZINC001573745046 948667628 /nfs/dbraw/zinc/66/76/28/948667628.db2.gz AFHWAONEVSSYGQ-SCRDCRAPSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1cccnc1 ZINC001573745046 948667633 /nfs/dbraw/zinc/66/76/33/948667633.db2.gz AFHWAONEVSSYGQ-SCRDCRAPSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573746861 948685696 /nfs/dbraw/zinc/68/56/96/948685696.db2.gz MALUFDISEZEXFQ-OBJOEFQTSA-N -1 1 379.428 0.584 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001574678414 948748080 /nfs/dbraw/zinc/74/80/80/948748080.db2.gz FPJWXRAOYJCYKO-QWRGUYRKSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001574678414 948748089 /nfs/dbraw/zinc/74/80/89/948748089.db2.gz FPJWXRAOYJCYKO-QWRGUYRKSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001574678413 948748180 /nfs/dbraw/zinc/74/81/80/948748180.db2.gz FPJWXRAOYJCYKO-MNOVXSKESA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001574678413 948748189 /nfs/dbraw/zinc/74/81/89/948748189.db2.gz FPJWXRAOYJCYKO-MNOVXSKESA-N -1 1 382.432 0.492 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001574416415 948750732 /nfs/dbraw/zinc/75/07/32/948750732.db2.gz VABOZIIDTYLKIB-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001574416415 948750740 /nfs/dbraw/zinc/75/07/40/948750740.db2.gz VABOZIIDTYLKIB-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CC1 ZINC001575221811 948752945 /nfs/dbraw/zinc/75/29/45/948752945.db2.gz DDOCEWVBMIELEP-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CC1 ZINC001575221811 948752955 /nfs/dbraw/zinc/75/29/55/948752955.db2.gz DDOCEWVBMIELEP-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC(F)(F)C1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)CC1 ZINC001575222302 948758706 /nfs/dbraw/zinc/75/87/06/948758706.db2.gz HYOCUSMCHMFYJZ-UHFFFAOYSA-N -1 1 378.387 0.965 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574417176 948764984 /nfs/dbraw/zinc/76/49/84/948764984.db2.gz MWBZCGKCKACTAH-CQSZACIVSA-N -1 1 382.428 0.405 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001574417082 948765621 /nfs/dbraw/zinc/76/56/21/948765621.db2.gz KXBXTBGIDNRATK-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001574417082 948765635 /nfs/dbraw/zinc/76/56/35/948765635.db2.gz KXBXTBGIDNRATK-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)c1 ZINC001574417422 948765784 /nfs/dbraw/zinc/76/57/84/948765784.db2.gz MYCRWWPCUSEHHJ-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)c1 ZINC001574417422 948765790 /nfs/dbraw/zinc/76/57/90/948765790.db2.gz MYCRWWPCUSEHHJ-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001574079706 948776121 /nfs/dbraw/zinc/77/61/21/948776121.db2.gz FPBRLWYHGGBQBW-BWZBUEFSSA-N -1 1 389.844 0.636 20 0 GCADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001574079706 948776138 /nfs/dbraw/zinc/77/61/38/948776138.db2.gz FPBRLWYHGGBQBW-BWZBUEFSSA-N -1 1 389.844 0.636 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CC1 ZINC001575223993 948777392 /nfs/dbraw/zinc/77/73/92/948777392.db2.gz SDAFQIRIRQJBKT-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574419308 948779777 /nfs/dbraw/zinc/77/97/77/948779777.db2.gz AKNILMPAEXMKDV-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574419308 948779793 /nfs/dbraw/zinc/77/97/93/948779793.db2.gz AKNILMPAEXMKDV-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@H](C(=O)Nc1cc(Cl)cc(F)c1C(N)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573755771 948781994 /nfs/dbraw/zinc/78/19/94/948781994.db2.gz HYBXIVNBGISKFN-RXMQYKEDSA-N -1 1 379.743 0.549 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574419318 948782701 /nfs/dbraw/zinc/78/27/01/948782701.db2.gz BECMYVUTRFRNAX-LBPRGKRZSA-N -1 1 382.428 0.405 20 0 GCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001573755816 948783174 /nfs/dbraw/zinc/78/31/74/948783174.db2.gz IWPVKSMBQABRNF-SECBINFHSA-N -1 1 390.429 0.582 20 0 GCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001573755816 948783185 /nfs/dbraw/zinc/78/31/85/948783185.db2.gz IWPVKSMBQABRNF-SECBINFHSA-N -1 1 390.429 0.582 20 0 GCADMM C[C@@H](C(=O)Nc1cc(Cl)cc(F)c1C(N)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573755772 948784062 /nfs/dbraw/zinc/78/40/62/948784062.db2.gz HYBXIVNBGISKFN-YFKPBYRVSA-N -1 1 379.743 0.549 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574679503 948785205 /nfs/dbraw/zinc/78/52/05/948785205.db2.gz WKXSSEIAJXURMT-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574679503 948785218 /nfs/dbraw/zinc/78/52/18/948785218.db2.gz WKXSSEIAJXURMT-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574679588 948788318 /nfs/dbraw/zinc/78/83/18/948788318.db2.gz YJSFSBYFNLCKBK-KGYLQXTDSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574679588 948788325 /nfs/dbraw/zinc/78/83/25/948788325.db2.gz YJSFSBYFNLCKBK-KGYLQXTDSA-N -1 1 382.432 0.501 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575224766 948791527 /nfs/dbraw/zinc/79/15/27/948791527.db2.gz QYRPLTUXFYQLGC-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575224766 948791541 /nfs/dbraw/zinc/79/15/41/948791541.db2.gz QYRPLTUXFYQLGC-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574679874 948792729 /nfs/dbraw/zinc/79/27/29/948792729.db2.gz AHFXXKYQVMGLGK-IJLUTSLNSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574679874 948792739 /nfs/dbraw/zinc/79/27/39/948792739.db2.gz AHFXXKYQVMGLGK-IJLUTSLNSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cnn2ccccc12 ZINC001574679664 948793791 /nfs/dbraw/zinc/79/37/91/948793791.db2.gz ZZLNQUXPTZCBIS-GFCCVEGCSA-N -1 1 392.427 0.854 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cnn2ccccc12 ZINC001574679664 948793804 /nfs/dbraw/zinc/79/38/04/948793804.db2.gz ZZLNQUXPTZCBIS-GFCCVEGCSA-N -1 1 392.427 0.854 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574680069 948795281 /nfs/dbraw/zinc/79/52/81/948795281.db2.gz CYYYCFIKVBCXKV-JTQLQIEISA-N -1 1 382.432 0.879 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574680069 948795295 /nfs/dbraw/zinc/79/52/95/948795295.db2.gz CYYYCFIKVBCXKV-JTQLQIEISA-N -1 1 382.432 0.879 20 0 GCADMM C[C@H](C(=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756068 948797269 /nfs/dbraw/zinc/79/72/69/948797269.db2.gz LTWPINBSIBPCPM-SECBINFHSA-N -1 1 395.383 0.178 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COC[C@@H]1CCCO1 ZINC001574681340 948811802 /nfs/dbraw/zinc/81/18/02/948811802.db2.gz LRSODLJGNXJXHQ-NEPJUHHUSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COC[C@@H]1CCCO1 ZINC001574681340 948811819 /nfs/dbraw/zinc/81/18/19/948811819.db2.gz LRSODLJGNXJXHQ-NEPJUHHUSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574680961 948814994 /nfs/dbraw/zinc/81/49/94/948814994.db2.gz KUJFSCMMHOZJFR-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574680961 948815012 /nfs/dbraw/zinc/81/50/12/948815012.db2.gz KUJFSCMMHOZJFR-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574681351 948816924 /nfs/dbraw/zinc/81/69/24/948816924.db2.gz LTHOOMKCJKYEKW-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574681351 948816949 /nfs/dbraw/zinc/81/69/49/948816949.db2.gz LTHOOMKCJKYEKW-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001573756477 948822235 /nfs/dbraw/zinc/82/22/35/948822235.db2.gz SKAABCZWUUKBOU-WCBMZHEXSA-N -1 1 380.409 0.392 20 0 GCADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001573756477 948822243 /nfs/dbraw/zinc/82/22/43/948822243.db2.gz SKAABCZWUUKBOU-WCBMZHEXSA-N -1 1 380.409 0.392 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574681730 948824305 /nfs/dbraw/zinc/82/43/05/948824305.db2.gz NIFLHWUDHYGURQ-WCQYABFASA-N -1 1 379.428 0.773 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574681730 948824314 /nfs/dbraw/zinc/82/43/14/948824314.db2.gz NIFLHWUDHYGURQ-WCQYABFASA-N -1 1 379.428 0.773 20 0 GCADMM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574917940 948826270 /nfs/dbraw/zinc/82/62/70/948826270.db2.gz CUEZMKVSIZAVTN-GFCCVEGCSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574917940 948826287 /nfs/dbraw/zinc/82/62/87/948826287.db2.gz CUEZMKVSIZAVTN-GFCCVEGCSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574682133 948826951 /nfs/dbraw/zinc/82/69/51/948826951.db2.gz OVYPZTFJOIBFNJ-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574682133 948826954 /nfs/dbraw/zinc/82/69/54/948826954.db2.gz OVYPZTFJOIBFNJ-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1ccccc1=O ZINC001574682175 948827789 /nfs/dbraw/zinc/82/77/89/948827789.db2.gz PIYYSFILNYKDMC-GFCCVEGCSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1ccccc1=O ZINC001574682175 948827801 /nfs/dbraw/zinc/82/78/01/948827801.db2.gz PIYYSFILNYKDMC-GFCCVEGCSA-N -1 1 383.416 0.215 20 0 GCADMM CC(C)(C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)[C@H]1CCCCO1 ZINC001573761100 948834774 /nfs/dbraw/zinc/83/47/74/948834774.db2.gz BIIWGMPJQGOGNZ-GFCCVEGCSA-N -1 1 389.416 0.108 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574683201 948843345 /nfs/dbraw/zinc/84/33/45/948843345.db2.gz VQYNPJQYMJLQOH-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574683201 948843358 /nfs/dbraw/zinc/84/33/58/948843358.db2.gz VQYNPJQYMJLQOH-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cc(Cl)cn1 ZINC001574683248 948844953 /nfs/dbraw/zinc/84/49/53/948844953.db2.gz WKTNPVPYNINXCB-SNVBAGLBSA-N -1 1 390.839 0.904 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cc(Cl)cn1 ZINC001574683248 948844965 /nfs/dbraw/zinc/84/49/65/948844965.db2.gz WKTNPVPYNINXCB-SNVBAGLBSA-N -1 1 390.839 0.904 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574683367 948851529 /nfs/dbraw/zinc/85/15/29/948851529.db2.gz YLGLGBCEUNWVSZ-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574683367 948851544 /nfs/dbraw/zinc/85/15/44/948851544.db2.gz YLGLGBCEUNWVSZ-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnnn1C ZINC001574684488 948872964 /nfs/dbraw/zinc/87/29/64/948872964.db2.gz HIJCNLVDXBKPOR-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnnn1C ZINC001574684487 948874719 /nfs/dbraw/zinc/87/47/19/948874719.db2.gz HIJCNLVDXBKPOR-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1COCCO1 ZINC001574684653 948875971 /nfs/dbraw/zinc/87/59/71/948875971.db2.gz KCEQLGQVKCXNSQ-JGVFFNPUSA-N -1 1 387.853 0.699 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574426485 948889186 /nfs/dbraw/zinc/88/91/86/948889186.db2.gz RVJPKNBHPAYLMC-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574426485 948889202 /nfs/dbraw/zinc/88/92/02/948889202.db2.gz RVJPKNBHPAYLMC-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cn(C)nn1 ZINC001574684845 948892203 /nfs/dbraw/zinc/89/22/03/948892203.db2.gz NNEUXEDNAJJZEL-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)CC(F)(F)F ZINC001574920290 948893898 /nfs/dbraw/zinc/89/38/98/948893898.db2.gz HSTPQFMAPLNIHZ-SSDOTTSWSA-N -1 1 375.311 0.224 20 0 GCADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCCO1 ZINC001573765419 948910524 /nfs/dbraw/zinc/91/05/24/948910524.db2.gz DLGCHSOTQQEQSG-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCCO1 ZINC001573765419 948910538 /nfs/dbraw/zinc/91/05/38/948910538.db2.gz DLGCHSOTQQEQSG-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)s1 ZINC001574428021 948920205 /nfs/dbraw/zinc/92/02/05/948920205.db2.gz XZCFULRQYUWTQB-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)s1 ZINC001574428021 948920218 /nfs/dbraw/zinc/92/02/18/948920218.db2.gz XZCFULRQYUWTQB-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)(C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573765650 948921182 /nfs/dbraw/zinc/92/11/82/948921182.db2.gz VLHIMTHUTKDCJK-SECBINFHSA-N -1 1 382.375 0.009 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCOCC1 ZINC001573765679 948921604 /nfs/dbraw/zinc/92/16/04/948921604.db2.gz XDFZFUZQSBGIMY-UHFFFAOYSA-N -1 1 386.460 0.758 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCOCC1 ZINC001573765679 948921617 /nfs/dbraw/zinc/92/16/17/948921617.db2.gz XDFZFUZQSBGIMY-UHFFFAOYSA-N -1 1 386.460 0.758 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574431730 948924204 /nfs/dbraw/zinc/92/42/04/948924204.db2.gz ADJVSZQKLFITKY-NSHDSACASA-N -1 1 382.432 0.825 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574923028 948931050 /nfs/dbraw/zinc/93/10/50/948931050.db2.gz BOKYVPBQLNLXDD-SNVBAGLBSA-N -1 1 390.839 0.761 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574923028 948931060 /nfs/dbraw/zinc/93/10/60/948931060.db2.gz BOKYVPBQLNLXDD-SNVBAGLBSA-N -1 1 390.839 0.761 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001575236837 948937968 /nfs/dbraw/zinc/93/79/68/948937968.db2.gz ACACVHVVTPMCRL-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001575236837 948937987 /nfs/dbraw/zinc/93/79/87/948937987.db2.gz ACACVHVVTPMCRL-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575236855 948940273 /nfs/dbraw/zinc/94/02/73/948940273.db2.gz AJSJKWRWKWLMQV-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575236855 948940280 /nfs/dbraw/zinc/94/02/80/948940280.db2.gz AJSJKWRWKWLMQV-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574432927 948942199 /nfs/dbraw/zinc/94/21/99/948942199.db2.gz PMGQPFCDJFYLCJ-UHFFFAOYSA-N -1 1 380.416 0.533 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574432927 948942207 /nfs/dbraw/zinc/94/22/07/948942207.db2.gz PMGQPFCDJFYLCJ-UHFFFAOYSA-N -1 1 380.416 0.533 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433170 948948510 /nfs/dbraw/zinc/94/85/10/948948510.db2.gz JWGGSMIHZWSNFW-XYPYZODXSA-N -1 1 382.432 0.308 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574923556 948953905 /nfs/dbraw/zinc/95/39/05/948953905.db2.gz PKDVWJPWWGBZGL-SNVBAGLBSA-N -1 1 390.839 0.538 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574923556 948953916 /nfs/dbraw/zinc/95/39/16/948953916.db2.gz PKDVWJPWWGBZGL-SNVBAGLBSA-N -1 1 390.839 0.538 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574433479 948959378 /nfs/dbraw/zinc/95/93/78/948959378.db2.gz OTTGGULSQKZZKC-LLVKDONJSA-N -1 1 384.448 0.768 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574433479 948959390 /nfs/dbraw/zinc/95/93/90/948959390.db2.gz OTTGGULSQKZZKC-LLVKDONJSA-N -1 1 384.448 0.768 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575239416 948960587 /nfs/dbraw/zinc/96/05/87/948960587.db2.gz RPNZLVURGGDSGD-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433611 948960918 /nfs/dbraw/zinc/96/09/18/948960918.db2.gz YXYZNRKLLKTSKT-NSHDSACASA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433759 948964528 /nfs/dbraw/zinc/96/45/28/948964528.db2.gz PILIERLOPSJSCB-MNOVXSKESA-N -1 1 384.448 0.554 20 0 GCADMM CC(C)(C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1c[nH]cn1 ZINC001573772734 948965525 /nfs/dbraw/zinc/96/55/25/948965525.db2.gz CPQZMYJZXYOMRY-UHFFFAOYSA-N -1 1 382.432 0.443 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574433845 948966156 /nfs/dbraw/zinc/96/61/56/948966156.db2.gz SHVPTARPYFLSHJ-NSHDSACASA-N -1 1 384.448 0.508 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574925562 948973105 /nfs/dbraw/zinc/97/31/05/948973105.db2.gz BCIAXXDKCVXMNE-GFCCVEGCSA-N -1 1 387.448 0.000 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001574434208 948975419 /nfs/dbraw/zinc/97/54/19/948975419.db2.gz ZVJXWELUUOMRKU-UHFFFAOYSA-N -1 1 386.420 0.536 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001574434208 948975434 /nfs/dbraw/zinc/97/54/34/948975434.db2.gz ZVJXWELUUOMRKU-UHFFFAOYSA-N -1 1 386.420 0.536 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C(F)F ZINC001573773147 948976320 /nfs/dbraw/zinc/97/63/20/948976320.db2.gz IABGZEXOWRBTGK-WPRPVWTQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)F ZINC001573773147 948976328 /nfs/dbraw/zinc/97/63/28/948976328.db2.gz IABGZEXOWRBTGK-WPRPVWTQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574434161 948977239 /nfs/dbraw/zinc/97/72/39/948977239.db2.gz YDRHGOADWGKXRS-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574434161 948977247 /nfs/dbraw/zinc/97/72/47/948977247.db2.gz YDRHGOADWGKXRS-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001574689115 948977864 /nfs/dbraw/zinc/97/78/64/948977864.db2.gz CTYOKZXYMPZVEK-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001574689115 948977879 /nfs/dbraw/zinc/97/78/79/948977879.db2.gz CTYOKZXYMPZVEK-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM CC(C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574434411 948980911 /nfs/dbraw/zinc/98/09/11/948980911.db2.gz JKSVRJYJHVXMSQ-LLVKDONJSA-N -1 1 385.432 0.890 20 0 GCADMM CC(C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574434411 948980915 /nfs/dbraw/zinc/98/09/15/948980915.db2.gz JKSVRJYJHVXMSQ-LLVKDONJSA-N -1 1 385.432 0.890 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573773567 948986851 /nfs/dbraw/zinc/98/68/51/948986851.db2.gz MAGYZFOCQZRUGF-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001574689525 948987119 /nfs/dbraw/zinc/98/71/19/948987119.db2.gz IAKIWTNMESWFHB-GHMZBOCLSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001574689525 948987134 /nfs/dbraw/zinc/98/71/34/948987134.db2.gz IAKIWTNMESWFHB-GHMZBOCLSA-N -1 1 382.432 0.492 20 0 GCADMM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCCO1 ZINC001573773699 948992324 /nfs/dbraw/zinc/99/23/24/948992324.db2.gz DXWMFZCBPXJUMU-GFCCVEGCSA-N -1 1 386.460 0.735 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 ZINC001574090894 948998552 /nfs/dbraw/zinc/99/85/52/948998552.db2.gz JUSAWHTWZYIESM-VXGBXAGGSA-N -1 1 390.448 0.816 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCO1 ZINC001574090894 948998560 /nfs/dbraw/zinc/99/85/60/948998560.db2.gz JUSAWHTWZYIESM-VXGBXAGGSA-N -1 1 390.448 0.816 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926393 948999322 /nfs/dbraw/zinc/99/93/22/948999322.db2.gz PHKQYJOGVQWMPE-ZDUSSCGKSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926393 948999331 /nfs/dbraw/zinc/99/93/31/948999331.db2.gz PHKQYJOGVQWMPE-ZDUSSCGKSA-N -1 1 381.444 0.957 20 0 GCADMM CC(C)c1nnsc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001574439186 949000921 /nfs/dbraw/zinc/00/09/21/949000921.db2.gz BRBONTSWGSCMPG-UHFFFAOYSA-N -1 1 390.433 0.654 20 0 GCADMM CC(C)c1nnsc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001574439186 949000936 /nfs/dbraw/zinc/00/09/36/949000936.db2.gz BRBONTSWGSCMPG-UHFFFAOYSA-N -1 1 390.433 0.654 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574690369 949001223 /nfs/dbraw/zinc/00/12/23/949001223.db2.gz OKNHGSWOTKYZKN-RYUDHWBXSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574690369 949001238 /nfs/dbraw/zinc/00/12/38/949001238.db2.gz OKNHGSWOTKYZKN-RYUDHWBXSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574926434 949001796 /nfs/dbraw/zinc/00/17/96/949001796.db2.gz QHDNHKRCHUVPPI-CYBMUJFWSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574926434 949001806 /nfs/dbraw/zinc/00/18/06/949001806.db2.gz QHDNHKRCHUVPPI-CYBMUJFWSA-N -1 1 381.444 0.957 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@@H](C)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001574439521 949005017 /nfs/dbraw/zinc/00/50/17/949005017.db2.gz GNCOHWFZEPUTMR-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@@H](C)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001574439521 949005029 /nfs/dbraw/zinc/00/50/29/949005029.db2.gz GNCOHWFZEPUTMR-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574690714 949005643 /nfs/dbraw/zinc/00/56/43/949005643.db2.gz QDEAPPDDRIYSLL-WDEREUQCSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574690714 949005661 /nfs/dbraw/zinc/00/56/61/949005661.db2.gz QDEAPPDDRIYSLL-WDEREUQCSA-N -1 1 382.432 0.492 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574439460 949007366 /nfs/dbraw/zinc/00/73/66/949007366.db2.gz FIXFOIJLHOTPAZ-VIFPVBQESA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574439460 949007381 /nfs/dbraw/zinc/00/73/81/949007381.db2.gz FIXFOIJLHOTPAZ-VIFPVBQESA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575501393 949013990 /nfs/dbraw/zinc/01/39/90/949013990.db2.gz HLZHGQQWLVQOSG-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575501393 949014012 /nfs/dbraw/zinc/01/40/12/949014012.db2.gz HLZHGQQWLVQOSG-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575502276 949021384 /nfs/dbraw/zinc/02/13/84/949021384.db2.gz JVVIOLNWWGMGOS-NEPJUHHUSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575502276 949021400 /nfs/dbraw/zinc/02/14/00/949021400.db2.gz JVVIOLNWWGMGOS-NEPJUHHUSA-N -1 1 383.416 0.460 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C1CCC1 ZINC001573774856 949023083 /nfs/dbraw/zinc/02/30/83/949023083.db2.gz XKPYMUDQHGAEED-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C1CCC1 ZINC001573774856 949023097 /nfs/dbraw/zinc/02/30/97/949023097.db2.gz XKPYMUDQHGAEED-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574440473 949028745 /nfs/dbraw/zinc/02/87/45/949028745.db2.gz PMCGBYRZGNRPAX-SECBINFHSA-N -1 1 388.461 0.886 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575502827 949031389 /nfs/dbraw/zinc/03/13/89/949031389.db2.gz KTWRBKGZHCVPOX-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575502827 949031407 /nfs/dbraw/zinc/03/14/07/949031407.db2.gz KTWRBKGZHCVPOX-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575246424 949033359 /nfs/dbraw/zinc/03/33/59/949033359.db2.gz GJUJYPPOIDKTCE-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575502963 949033458 /nfs/dbraw/zinc/03/34/58/949033458.db2.gz MBBNBYGTFRNHJM-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575502963 949033479 /nfs/dbraw/zinc/03/34/79/949033479.db2.gz MBBNBYGTFRNHJM-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575246424 949033379 /nfs/dbraw/zinc/03/33/79/949033379.db2.gz GJUJYPPOIDKTCE-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCCO1 ZINC001573775221 949036254 /nfs/dbraw/zinc/03/62/54/949036254.db2.gz UCUXBROCPHAXRH-AAEUAGOBSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCCO1 ZINC001573775221 949036271 /nfs/dbraw/zinc/03/62/71/949036271.db2.gz UCUXBROCPHAXRH-AAEUAGOBSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCCO1 ZINC001573775225 949036927 /nfs/dbraw/zinc/03/69/27/949036927.db2.gz UCUXBROCPHAXRH-YPMHNXCESA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCCO1 ZINC001573775225 949036942 /nfs/dbraw/zinc/03/69/42/949036942.db2.gz UCUXBROCPHAXRH-YPMHNXCESA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCO1 ZINC001573775465 949037972 /nfs/dbraw/zinc/03/79/72/949037972.db2.gz XDZYNXSUEOGAPE-DGCLKSJQSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCO1 ZINC001573775465 949037989 /nfs/dbraw/zinc/03/79/89/949037989.db2.gz XDZYNXSUEOGAPE-DGCLKSJQSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1c[nH]cn1 ZINC001573775288 949042462 /nfs/dbraw/zinc/04/24/62/949042462.db2.gz VVGBMUBQOJQUOJ-LLVKDONJSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575503276 949042694 /nfs/dbraw/zinc/04/26/94/949042694.db2.gz NWKUKHNRFBBITP-GFCCVEGCSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575503276 949042714 /nfs/dbraw/zinc/04/27/14/949042714.db2.gz NWKUKHNRFBBITP-GFCCVEGCSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575247132 949045744 /nfs/dbraw/zinc/04/57/44/949045744.db2.gz IJTAOSMCVHXANV-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575247132 949045765 /nfs/dbraw/zinc/04/57/65/949045765.db2.gz IJTAOSMCVHXANV-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575503897 949051932 /nfs/dbraw/zinc/05/19/32/949051932.db2.gz QJSAUYXKNLAEKR-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575503897 949051953 /nfs/dbraw/zinc/05/19/53/949051953.db2.gz QJSAUYXKNLAEKR-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247955 949053355 /nfs/dbraw/zinc/05/33/55/949053355.db2.gz MBSLQLDMZAZEJZ-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247955 949053334 /nfs/dbraw/zinc/05/33/34/949053334.db2.gz MBSLQLDMZAZEJZ-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575247914 949056469 /nfs/dbraw/zinc/05/64/69/949056469.db2.gz LMWOTXKGQBSKGY-SNVBAGLBSA-N -1 1 391.501 0.779 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574928319 949058610 /nfs/dbraw/zinc/05/86/10/949058610.db2.gz OTRPYUJTDZITRB-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574928319 949058584 /nfs/dbraw/zinc/05/85/84/949058584.db2.gz OTRPYUJTDZITRB-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CN1CCOCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574928856 949064039 /nfs/dbraw/zinc/06/40/39/949064039.db2.gz RPXAZEUSUUFUQW-QMMMGPOBSA-N -1 1 386.869 0.225 20 0 GCADMM C[C@@H](CNC(=O)CN1CCOCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574928856 949064055 /nfs/dbraw/zinc/06/40/55/949064055.db2.gz RPXAZEUSUUFUQW-QMMMGPOBSA-N -1 1 386.869 0.225 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574928709 949065774 /nfs/dbraw/zinc/06/57/74/949065774.db2.gz RIBYDVZKVIOOMO-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574928709 949065751 /nfs/dbraw/zinc/06/57/51/949065751.db2.gz RIBYDVZKVIOOMO-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NC/C=C\CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575504481 949072029 /nfs/dbraw/zinc/07/20/29/949072029.db2.gz VMMUCUVOKYPSKO-ZZKXABKFSA-N -1 1 381.400 0.025 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575504495 949075706 /nfs/dbraw/zinc/07/57/06/949075706.db2.gz WCAMPXXGKJFTSF-LBPRGKRZSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575504766 949082165 /nfs/dbraw/zinc/08/21/65/949082165.db2.gz XMLJIJZLQFRGHB-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575504766 949082179 /nfs/dbraw/zinc/08/21/79/949082179.db2.gz XMLJIJZLQFRGHB-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574929143 949082821 /nfs/dbraw/zinc/08/28/21/949082821.db2.gz ZHFYBMNPRVNYSN-LLVKDONJSA-N -1 1 389.464 0.373 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574929143 949082842 /nfs/dbraw/zinc/08/28/42/949082842.db2.gz ZHFYBMNPRVNYSN-LLVKDONJSA-N -1 1 389.464 0.373 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574929197 949084451 /nfs/dbraw/zinc/08/44/51/949084451.db2.gz ARZFELNGGPHFKL-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574929197 949084471 /nfs/dbraw/zinc/08/44/71/949084471.db2.gz ARZFELNGGPHFKL-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1c[nH]cn1 ZINC001573780319 949090178 /nfs/dbraw/zinc/09/01/78/949090178.db2.gz WDCPSYYJAJWHNX-NSHDSACASA-N -1 1 382.432 0.443 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1ccccc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249173 949090923 /nfs/dbraw/zinc/09/09/23/949090923.db2.gz XCGDXJQUXWNCMU-GHMZBOCLSA-N -1 1 381.400 0.601 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1ccccc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249173 949090942 /nfs/dbraw/zinc/09/09/42/949090942.db2.gz XCGDXJQUXWNCMU-GHMZBOCLSA-N -1 1 381.400 0.601 20 0 GCADMM C[C@H](CCS(C)(=O)=O)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574694704 949093310 /nfs/dbraw/zinc/09/33/10/949093310.db2.gz UVZADXJFQCHFGI-RXMQYKEDSA-N -1 1 379.855 0.921 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575504900 949093737 /nfs/dbraw/zinc/09/37/37/949093737.db2.gz YKYRLCPNXOOAFU-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575504900 949093762 /nfs/dbraw/zinc/09/37/62/949093762.db2.gz YKYRLCPNXOOAFU-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575504955 949099575 /nfs/dbraw/zinc/09/95/75/949099575.db2.gz ZVQLNZISYWGGSW-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575504955 949099595 /nfs/dbraw/zinc/09/95/95/949099595.db2.gz ZVQLNZISYWGGSW-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CCC1 ZINC001573781015 949100567 /nfs/dbraw/zinc/10/05/67/949100567.db2.gz AFOCLZUAHHLLEY-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CCC1 ZINC001573781015 949100580 /nfs/dbraw/zinc/10/05/80/949100580.db2.gz AFOCLZUAHHLLEY-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574443159 949102877 /nfs/dbraw/zinc/10/28/77/949102877.db2.gz VPDFWJBKMBCWCD-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574443159 949102892 /nfs/dbraw/zinc/10/28/92/949102892.db2.gz VPDFWJBKMBCWCD-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575249621 949103178 /nfs/dbraw/zinc/10/31/78/949103178.db2.gz ZNEJBHWDWVUBHX-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575249621 949103188 /nfs/dbraw/zinc/10/31/88/949103188.db2.gz ZNEJBHWDWVUBHX-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575249607 949103592 /nfs/dbraw/zinc/10/35/92/949103592.db2.gz ZGLYCJCFALXBPI-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575249607 949103583 /nfs/dbraw/zinc/10/35/83/949103583.db2.gz ZGLYCJCFALXBPI-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c(Cl)cnn1C ZINC001574695179 949104422 /nfs/dbraw/zinc/10/44/22/949104422.db2.gz DPCUNVAVGRIMPX-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c(Cl)cnn1C ZINC001574695179 949104435 /nfs/dbraw/zinc/10/44/35/949104435.db2.gz DPCUNVAVGRIMPX-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CNC(=O)CO[C@@H]1CCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574931059 949110453 /nfs/dbraw/zinc/11/04/53/949110453.db2.gz NDCFPAODVWEERL-HTQZYQBOSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CNC(=O)CO[C@@H]1CCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574931059 949110441 /nfs/dbraw/zinc/11/04/41/949110441.db2.gz NDCFPAODVWEERL-HTQZYQBOSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574930730 949111808 /nfs/dbraw/zinc/11/18/08/949111808.db2.gz MFAIYLPWQHQWCV-NEPJUHHUSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574930730 949111794 /nfs/dbraw/zinc/11/17/94/949111794.db2.gz MFAIYLPWQHQWCV-NEPJUHHUSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574695462 949113336 /nfs/dbraw/zinc/11/33/36/949113336.db2.gz HWNQFESLLFKLCO-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574695462 949113342 /nfs/dbraw/zinc/11/33/42/949113342.db2.gz HWNQFESLLFKLCO-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c(C2CC2)cnn1C ZINC001574695678 949114802 /nfs/dbraw/zinc/11/48/02/949114802.db2.gz JUYBBEZZQLIYQO-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c(C2CC2)cnn1C ZINC001574695678 949114817 /nfs/dbraw/zinc/11/48/17/949114817.db2.gz JUYBBEZZQLIYQO-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574695974 949120280 /nfs/dbraw/zinc/12/02/80/949120280.db2.gz LHTQDWAIZVTIOY-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574695974 949120296 /nfs/dbraw/zinc/12/02/96/949120296.db2.gz LHTQDWAIZVTIOY-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)CCCC(N)=O ZINC001574695928 949120443 /nfs/dbraw/zinc/12/04/43/949120443.db2.gz KTMYQENMXVSTRD-ZETCQYMHSA-N -1 1 386.869 0.939 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)CCCC(N)=O ZINC001574695928 949120454 /nfs/dbraw/zinc/12/04/54/949120454.db2.gz KTMYQENMXVSTRD-ZETCQYMHSA-N -1 1 386.869 0.939 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C1CC1 ZINC001573782394 949120792 /nfs/dbraw/zinc/12/07/92/949120792.db2.gz UAARSHXWOUBYLZ-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C1CC1 ZINC001573782394 949120808 /nfs/dbraw/zinc/12/08/08/949120808.db2.gz UAARSHXWOUBYLZ-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C1CC1 ZINC001573782390 949121961 /nfs/dbraw/zinc/12/19/61/949121961.db2.gz UAARSHXWOUBYLZ-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C1CC1 ZINC001573782390 949121986 /nfs/dbraw/zinc/12/19/86/949121986.db2.gz UAARSHXWOUBYLZ-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573782722 949127943 /nfs/dbraw/zinc/12/79/43/949127943.db2.gz WDWDVPZDPLPJQI-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573782722 949127960 /nfs/dbraw/zinc/12/79/60/949127960.db2.gz WDWDVPZDPLPJQI-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574932111 949128663 /nfs/dbraw/zinc/12/86/63/949128663.db2.gz VEYKPHMTDNDNQM-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574932111 949128676 /nfs/dbraw/zinc/12/86/76/949128676.db2.gz VEYKPHMTDNDNQM-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C(N)=O)s1 ZINC001574696615 949132945 /nfs/dbraw/zinc/13/29/45/949132945.db2.gz SHEFEELUNTWIIM-QMMMGPOBSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C(N)=O)s1 ZINC001574696615 949132969 /nfs/dbraw/zinc/13/29/69/949132969.db2.gz SHEFEELUNTWIIM-QMMMGPOBSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574932297 949135365 /nfs/dbraw/zinc/13/53/65/949135365.db2.gz XNTNUQPYRCBFQY-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574932297 949135350 /nfs/dbraw/zinc/13/53/50/949135350.db2.gz XNTNUQPYRCBFQY-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CC1 ZINC001573783007 949142265 /nfs/dbraw/zinc/14/22/65/949142265.db2.gz ZZFQNQFBVKFKQF-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CC1 ZINC001573783007 949142274 /nfs/dbraw/zinc/14/22/74/949142274.db2.gz ZZFQNQFBVKFKQF-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cncnc1C1CC1 ZINC001574696864 949142923 /nfs/dbraw/zinc/14/29/23/949142923.db2.gz WEORXNOERAKJRU-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cncnc1C1CC1 ZINC001574696864 949142940 /nfs/dbraw/zinc/14/29/40/949142940.db2.gz WEORXNOERAKJRU-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574697161 949151967 /nfs/dbraw/zinc/15/19/67/949151967.db2.gz ZHFRTUYMXLYUHV-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574697161 949151977 /nfs/dbraw/zinc/15/19/77/949151977.db2.gz ZHFRTUYMXLYUHV-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C1CCCC1 ZINC001573786896 949155284 /nfs/dbraw/zinc/15/52/84/949155284.db2.gz CQOVDYFJVAJQIE-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)C1CCCC1 ZINC001573786896 949155297 /nfs/dbraw/zinc/15/52/97/949155297.db2.gz CQOVDYFJVAJQIE-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001574447459 949162726 /nfs/dbraw/zinc/16/27/26/949162726.db2.gz OFHXVAZRZOZFKK-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001574447459 949162738 /nfs/dbraw/zinc/16/27/38/949162738.db2.gz OFHXVAZRZOZFKK-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574934463 949164803 /nfs/dbraw/zinc/16/48/03/949164803.db2.gz INSDXGKSKHXVIA-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574934463 949164823 /nfs/dbraw/zinc/16/48/23/949164823.db2.gz INSDXGKSKHXVIA-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575252635 949166374 /nfs/dbraw/zinc/16/63/74/949166374.db2.gz QOCQGVYPEUFKCR-DCAQKATOSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575252635 949166356 /nfs/dbraw/zinc/16/63/56/949166356.db2.gz QOCQGVYPEUFKCR-DCAQKATOSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575252636 949167857 /nfs/dbraw/zinc/16/78/57/949167857.db2.gz QOCQGVYPEUFKCR-GARJFASQSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575252636 949167854 /nfs/dbraw/zinc/16/78/54/949167854.db2.gz QOCQGVYPEUFKCR-GARJFASQSA-N -1 1 387.448 0.267 20 0 GCADMM CC(C)[C@@H]1N(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC12CCOCC2 ZINC001574099120 949171246 /nfs/dbraw/zinc/17/12/46/949171246.db2.gz ICZQXUBXNWPJND-LBPRGKRZSA-N -1 1 375.437 0.305 20 0 GCADMM CC(C)[C@H]1N(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC12CCOCC2 ZINC001574099119 949171841 /nfs/dbraw/zinc/17/18/41/949171841.db2.gz ICZQXUBXNWPJND-GFCCVEGCSA-N -1 1 375.437 0.305 20 0 GCADMM CC(C)c1oncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001574448058 949177113 /nfs/dbraw/zinc/17/71/13/949177113.db2.gz DGFNFDCCFDLGCA-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1oncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001574448058 949177117 /nfs/dbraw/zinc/17/71/17/949177117.db2.gz DGFNFDCCFDLGCA-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1oncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001574448172 949178160 /nfs/dbraw/zinc/17/81/60/949178160.db2.gz DVGKTTFODZBIRR-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1oncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001574448172 949178174 /nfs/dbraw/zinc/17/81/74/949178174.db2.gz DVGKTTFODZBIRR-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253413 949186199 /nfs/dbraw/zinc/18/61/99/949186199.db2.gz TVPVMCNYKDONPB-VXGBXAGGSA-N -1 1 388.476 0.837 20 0 GCADMM CC(C)c1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574448429 949188966 /nfs/dbraw/zinc/18/89/66/949188966.db2.gz LLYMBJHNMVQJTI-IWIIMEHWSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574448429 949188977 /nfs/dbraw/zinc/18/89/77/949188977.db2.gz LLYMBJHNMVQJTI-IWIIMEHWSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1oncc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574448819 949193369 /nfs/dbraw/zinc/19/33/69/949193369.db2.gz MQQVXCFHDVGYRO-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1oncc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574448819 949193375 /nfs/dbraw/zinc/19/33/75/949193375.db2.gz MQQVXCFHDVGYRO-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1cnn(C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698470 949195464 /nfs/dbraw/zinc/19/54/64/949195464.db2.gz LIXUUCBRDGAUNH-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1cnn(C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698470 949195481 /nfs/dbraw/zinc/19/54/81/949195481.db2.gz LIXUUCBRDGAUNH-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698524 949195982 /nfs/dbraw/zinc/19/59/82/949195982.db2.gz MGXUOERGZFHGCB-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698524 949195998 /nfs/dbraw/zinc/19/59/98/949195998.db2.gz MGXUOERGZFHGCB-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574102738 949205640 /nfs/dbraw/zinc/20/56/40/949205640.db2.gz AGXJYUWTERSONL-UGSOOPFHSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574935609 949205440 /nfs/dbraw/zinc/20/54/40/949205440.db2.gz DJQOQEHROINIGI-SNVBAGLBSA-N -1 1 383.416 0.929 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574935609 949205456 /nfs/dbraw/zinc/20/54/56/949205456.db2.gz DJQOQEHROINIGI-SNVBAGLBSA-N -1 1 383.416 0.929 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574102738 949205661 /nfs/dbraw/zinc/20/56/61/949205661.db2.gz AGXJYUWTERSONL-UGSOOPFHSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574102721 949206071 /nfs/dbraw/zinc/20/60/71/949206071.db2.gz ABDSKQHDHSPTKI-SCLBCKFNSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574102721 949206085 /nfs/dbraw/zinc/20/60/85/949206085.db2.gz ABDSKQHDHSPTKI-SCLBCKFNSA-N -1 1 386.460 0.899 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001575853352 949211987 /nfs/dbraw/zinc/21/19/87/949211987.db2.gz QJOFOUSITDKLPK-UHFFFAOYSA-N -1 1 387.429 0.926 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574451128 949219110 /nfs/dbraw/zinc/21/91/10/949219110.db2.gz CSTKFEJUHCJWMB-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574451128 949219129 /nfs/dbraw/zinc/21/91/29/949219129.db2.gz CSTKFEJUHCJWMB-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698991 949222413 /nfs/dbraw/zinc/22/24/13/949222413.db2.gz QYFVVCCYAGWORT-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698991 949222434 /nfs/dbraw/zinc/22/24/34/949222434.db2.gz QYFVVCCYAGWORT-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574699018 949225133 /nfs/dbraw/zinc/22/51/33/949225133.db2.gz RLMINQKXPPYYGV-RQJHMYQMSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574699018 949225157 /nfs/dbraw/zinc/22/51/57/949225157.db2.gz RLMINQKXPPYYGV-RQJHMYQMSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574937270 949228119 /nfs/dbraw/zinc/22/81/19/949228119.db2.gz NPWVCNVTOPGWGS-SNVBAGLBSA-N -1 1 383.416 0.706 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574937270 949228144 /nfs/dbraw/zinc/22/81/44/949228144.db2.gz NPWVCNVTOPGWGS-SNVBAGLBSA-N -1 1 383.416 0.706 20 0 GCADMM C[C@@H]1CCC[C@@]1(C)C(=O)N(C)CCOCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576151532 949228514 /nfs/dbraw/zinc/22/85/14/949228514.db2.gz GGYQKACMGLEMAD-FZKQIMNGSA-N -1 1 388.476 0.792 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574937691 949231189 /nfs/dbraw/zinc/23/11/89/949231189.db2.gz PRWSYNNEUPMQES-LBPRGKRZSA-N -1 1 391.439 0.967 20 0 GCADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574451521 949232957 /nfs/dbraw/zinc/23/29/57/949232957.db2.gz QUOVHMHIYQLZNU-GFCCVEGCSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@H]1CCC[C@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576151638 949233460 /nfs/dbraw/zinc/23/34/60/949233460.db2.gz HTOJXAONJFZTFJ-QWRGUYRKSA-N -1 1 376.421 0.255 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574938065 949234676 /nfs/dbraw/zinc/23/46/76/949234676.db2.gz RGKBJQVKUHEENF-JTQLQIEISA-N -1 1 388.382 0.764 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001575855863 949240500 /nfs/dbraw/zinc/24/05/00/949240500.db2.gz BANLMYLLDGLQIM-UHFFFAOYSA-N -1 1 390.423 0.968 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001575855863 949240521 /nfs/dbraw/zinc/24/05/21/949240521.db2.gz BANLMYLLDGLQIM-UHFFFAOYSA-N -1 1 390.423 0.968 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574103361 949240635 /nfs/dbraw/zinc/24/06/35/949240635.db2.gz QTQMWCIEANXMRP-ACJLOTCBSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574103361 949240659 /nfs/dbraw/zinc/24/06/59/949240659.db2.gz QTQMWCIEANXMRP-ACJLOTCBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574699737 949244461 /nfs/dbraw/zinc/24/44/61/949244461.db2.gz WEJMUBNNLKHIGR-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699737 949244483 /nfs/dbraw/zinc/24/44/83/949244483.db2.gz WEJMUBNNLKHIGR-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CC2OCCCO2)CC1 ZINC001575855963 949246522 /nfs/dbraw/zinc/24/65/22/949246522.db2.gz CDMIHVCERITNRL-UHFFFAOYSA-N -1 1 388.432 0.603 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CC2OCCCO2)CC1 ZINC001575855963 949246542 /nfs/dbraw/zinc/24/65/42/949246542.db2.gz CDMIHVCERITNRL-UHFFFAOYSA-N -1 1 388.432 0.603 20 0 GCADMM C[C@@H]1CCC[C@H](OCC(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576152302 949248336 /nfs/dbraw/zinc/24/83/36/949248336.db2.gz INDRYEYHZZIYJE-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCC[C@H](OCC(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576152302 949248359 /nfs/dbraw/zinc/24/83/59/949248359.db2.gz INDRYEYHZZIYJE-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574699795 949249236 /nfs/dbraw/zinc/24/92/36/949249236.db2.gz XCNBYKICXCQETM-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574699795 949249252 /nfs/dbraw/zinc/24/92/52/949249252.db2.gz XCNBYKICXCQETM-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574940256 949257358 /nfs/dbraw/zinc/25/73/58/949257358.db2.gz CQXGWWUYGXGGLF-LLVKDONJSA-N -1 1 380.412 0.173 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)COCC(F)F)CC1 ZINC001575857126 949260525 /nfs/dbraw/zinc/26/05/25/949260525.db2.gz NVCCHWCYNUYKNZ-UHFFFAOYSA-N -1 1 382.375 0.731 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)COCC(F)F)CC1 ZINC001575857126 949260546 /nfs/dbraw/zinc/26/05/46/949260546.db2.gz NVCCHWCYNUYKNZ-UHFFFAOYSA-N -1 1 382.375 0.731 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574452514 949265752 /nfs/dbraw/zinc/26/57/52/949265752.db2.gz LQYCNYCIJMLBFC-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574452514 949265769 /nfs/dbraw/zinc/26/57/69/949265769.db2.gz LQYCNYCIJMLBFC-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001575857467 949269174 /nfs/dbraw/zinc/26/91/74/949269174.db2.gz RJANUSDIXRQKBP-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001575857467 949269195 /nfs/dbraw/zinc/26/91/95/949269195.db2.gz RJANUSDIXRQKBP-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001575857774 949275061 /nfs/dbraw/zinc/27/50/61/949275061.db2.gz VPPBYNOCOPFRIV-MRXNPFEDSA-N -1 1 398.408 0.389 20 0 GCADMM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001575857774 949275069 /nfs/dbraw/zinc/27/50/69/949275069.db2.gz VPPBYNOCOPFRIV-MRXNPFEDSA-N -1 1 398.408 0.389 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001575857778 949275423 /nfs/dbraw/zinc/27/54/23/949275423.db2.gz VSCUEFQZULWTDU-NSHDSACASA-N -1 1 386.416 0.403 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001575857778 949275442 /nfs/dbraw/zinc/27/54/42/949275442.db2.gz VSCUEFQZULWTDU-NSHDSACASA-N -1 1 386.416 0.403 20 0 GCADMM CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574453021 949277435 /nfs/dbraw/zinc/27/74/35/949277435.db2.gz WBRVZZDUCTXASQ-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574453171 949282503 /nfs/dbraw/zinc/28/25/03/949282503.db2.gz YBAFEXAHSHVPBQ-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574453171 949282530 /nfs/dbraw/zinc/28/25/30/949282530.db2.gz YBAFEXAHSHVPBQ-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cn1 ZINC001574455358 949303379 /nfs/dbraw/zinc/30/33/79/949303379.db2.gz OUINHMXSEGMYNO-YPMHNXCESA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)(C)C(=O)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573793773 949306686 /nfs/dbraw/zinc/30/66/86/949306686.db2.gz YXHRPNXFEFCYLD-ZMZPIMSZSA-N -1 1 384.444 0.557 20 0 GCADMM CC1=C(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)[C@H](C)n2nnnc2N1C ZINC001575860742 949307415 /nfs/dbraw/zinc/30/74/15/949307415.db2.gz LKTKGVHMXUMBDN-ZETCQYMHSA-N -1 1 382.392 0.377 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575258633 949308475 /nfs/dbraw/zinc/30/84/75/949308475.db2.gz JAKHQCQERSSQFL-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575258633 949308499 /nfs/dbraw/zinc/30/84/99/949308499.db2.gz JAKHQCQERSSQFL-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)N1CCOC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573794041 949313787 /nfs/dbraw/zinc/31/37/87/949313787.db2.gz AONVZEGHKRPWES-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574941729 949315320 /nfs/dbraw/zinc/31/53/20/949315320.db2.gz GSBJVTKBWPHJRT-LBPRGKRZSA-N -1 1 384.448 0.263 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457240 949316844 /nfs/dbraw/zinc/31/68/44/949316844.db2.gz DGVQKHWWMAROHQ-GFCCVEGCSA-N -1 1 382.432 0.430 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575259677 949334660 /nfs/dbraw/zinc/33/46/60/949334660.db2.gz PZFZXTOTKDZJFC-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575259677 949334684 /nfs/dbraw/zinc/33/46/84/949334684.db2.gz PZFZXTOTKDZJFC-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574458099 949337636 /nfs/dbraw/zinc/33/76/36/949337636.db2.gz PAALYIAUWMQMSI-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574458099 949337659 /nfs/dbraw/zinc/33/76/59/949337659.db2.gz PAALYIAUWMQMSI-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458819 949345202 /nfs/dbraw/zinc/34/52/02/949345202.db2.gz ZBFUSHYTPVUXDU-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458819 949345224 /nfs/dbraw/zinc/34/52/24/949345224.db2.gz ZBFUSHYTPVUXDU-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574458799 949348592 /nfs/dbraw/zinc/34/85/92/949348592.db2.gz YSBYSKDTWNHXNT-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)n1 ZINC001574459327 949350008 /nfs/dbraw/zinc/35/00/08/949350008.db2.gz ASNUFICFPKOJAA-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)n1 ZINC001574459327 949350031 /nfs/dbraw/zinc/35/00/31/949350031.db2.gz ASNUFICFPKOJAA-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)(C)C(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001573797046 949351232 /nfs/dbraw/zinc/35/12/32/949351232.db2.gz YYKVGPTXSQGMBW-ZDUSSCGKSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)(C)C(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001573797046 949351258 /nfs/dbraw/zinc/35/12/58/949351258.db2.gz YYKVGPTXSQGMBW-ZDUSSCGKSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574459506 949363548 /nfs/dbraw/zinc/36/35/48/949363548.db2.gz IOHYQGXLFFKUEB-GFCCVEGCSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574459506 949363567 /nfs/dbraw/zinc/36/35/67/949363567.db2.gz IOHYQGXLFFKUEB-GFCCVEGCSA-N -1 1 385.432 0.584 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnon1 ZINC001576154826 949367033 /nfs/dbraw/zinc/36/70/33/949367033.db2.gz FMVACIAFZGGPLB-QFYYESIMSA-N -1 1 384.404 0.252 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575260934 949367892 /nfs/dbraw/zinc/36/78/92/949367892.db2.gz YORSIIYGKJEJJU-TZMCWYRMSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575260934 949367913 /nfs/dbraw/zinc/36/79/13/949367913.db2.gz YORSIIYGKJEJJU-TZMCWYRMSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccn(C)n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574943036 949369881 /nfs/dbraw/zinc/36/98/81/949369881.db2.gz VHBFMYXAQZIKHV-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@H]1CCC[C@@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001576154984 949374481 /nfs/dbraw/zinc/37/44/81/949374481.db2.gz RYPOXFAQEOTJEF-WDEREUQCSA-N -1 1 388.432 0.664 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574943066 949375836 /nfs/dbraw/zinc/37/58/36/949375836.db2.gz VSLWURCHLHBOOM-LBPRGKRZSA-N -1 1 384.448 0.841 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574943066 949375854 /nfs/dbraw/zinc/37/58/54/949375854.db2.gz VSLWURCHLHBOOM-LBPRGKRZSA-N -1 1 384.448 0.841 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575527822 949383520 /nfs/dbraw/zinc/38/35/20/949383520.db2.gz HYAINRUSFQPCHO-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575527822 949383540 /nfs/dbraw/zinc/38/35/40/949383540.db2.gz HYAINRUSFQPCHO-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574463897 949387118 /nfs/dbraw/zinc/38/71/18/949387118.db2.gz ALIYMLYRPBQSLK-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574463897 949387138 /nfs/dbraw/zinc/38/71/38/949387138.db2.gz ALIYMLYRPBQSLK-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573800293 949389890 /nfs/dbraw/zinc/38/98/90/949389890.db2.gz WSPXGFKMKCYAJU-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573800293 949389912 /nfs/dbraw/zinc/38/99/12/949389912.db2.gz WSPXGFKMKCYAJU-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574463909 949391922 /nfs/dbraw/zinc/39/19/22/949391922.db2.gz AXLJWACEXQRKJK-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575263302 949392747 /nfs/dbraw/zinc/39/27/47/949392747.db2.gz FUIBDGNSXAXVKO-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575263302 949392769 /nfs/dbraw/zinc/39/27/69/949392769.db2.gz FUIBDGNSXAXVKO-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573800560 949393715 /nfs/dbraw/zinc/39/37/15/949393715.db2.gz YUARNPWXJVNHPL-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573800560 949393734 /nfs/dbraw/zinc/39/37/34/949393734.db2.gz YUARNPWXJVNHPL-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573801631 949402840 /nfs/dbraw/zinc/40/28/40/949402840.db2.gz BDCKDNVPJDFZJV-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573801631 949402852 /nfs/dbraw/zinc/40/28/52/949402852.db2.gz BDCKDNVPJDFZJV-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575263600 949402877 /nfs/dbraw/zinc/40/28/77/949402877.db2.gz IOAINDNRBXGICO-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575263600 949402893 /nfs/dbraw/zinc/40/28/93/949402893.db2.gz IOAINDNRBXGICO-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573801862 949403516 /nfs/dbraw/zinc/40/35/16/949403516.db2.gz AJUNEONNLNBQOG-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573801862 949403528 /nfs/dbraw/zinc/40/35/28/949403528.db2.gz AJUNEONNLNBQOG-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC1(C(=O)N2CC[C@@H](N3CCN(c4cncc(-c5nnn[n-]5)n4)CC3)C2)CC1 ZINC001575532821 949407116 /nfs/dbraw/zinc/40/71/16/949407116.db2.gz ADKGEKGUESBTOG-CYBMUJFWSA-N -1 1 383.460 0.180 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCOC1 ZINC001575533164 949410508 /nfs/dbraw/zinc/41/05/08/949410508.db2.gz DRCYDXGMQZLFOY-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464343 949411626 /nfs/dbraw/zinc/41/16/26/949411626.db2.gz LPSWCEMSPVNPHY-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574464372 949411655 /nfs/dbraw/zinc/41/16/55/949411655.db2.gz MHWAJZLCCRJSCR-LBPRGKRZSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1cnc(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)c1 ZINC001574464389 949412874 /nfs/dbraw/zinc/41/28/74/949412874.db2.gz NJXJIPRRDZFXRL-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)c1 ZINC001574464389 949412893 /nfs/dbraw/zinc/41/28/93/949412893.db2.gz NJXJIPRRDZFXRL-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnon1 ZINC001576155644 949413249 /nfs/dbraw/zinc/41/32/49/949413249.db2.gz JNVSZCJQRYUAGR-QFYYESIMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnon1 ZINC001576155644 949413258 /nfs/dbraw/zinc/41/32/58/949413258.db2.gz JNVSZCJQRYUAGR-QFYYESIMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575263903 949417773 /nfs/dbraw/zinc/41/77/73/949417773.db2.gz LEUUKFORQMASMI-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575263903 949417782 /nfs/dbraw/zinc/41/77/82/949417782.db2.gz LEUUKFORQMASMI-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575264348 949424009 /nfs/dbraw/zinc/42/40/09/949424009.db2.gz NSWZEBLOUBUTLJ-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575264348 949424020 /nfs/dbraw/zinc/42/40/20/949424020.db2.gz NSWZEBLOUBUTLJ-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575866955 949425881 /nfs/dbraw/zinc/42/58/81/949425881.db2.gz IRKUAYFPJSCEQP-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575866955 949425891 /nfs/dbraw/zinc/42/58/91/949425891.db2.gz IRKUAYFPJSCEQP-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575866948 949425915 /nfs/dbraw/zinc/42/59/15/949425915.db2.gz IRKUAYFPJSCEQP-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575866948 949425927 /nfs/dbraw/zinc/42/59/27/949425927.db2.gz IRKUAYFPJSCEQP-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574464691 949426197 /nfs/dbraw/zinc/42/61/97/949426197.db2.gz RTXKYYKQGXZHMD-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574464691 949426208 /nfs/dbraw/zinc/42/62/08/949426208.db2.gz RTXKYYKQGXZHMD-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn(C)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574946258 949427196 /nfs/dbraw/zinc/42/71/96/949427196.db2.gz UAGIXZAWYSPIRG-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn(C)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574946258 949427206 /nfs/dbraw/zinc/42/72/06/949427206.db2.gz UAGIXZAWYSPIRG-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1nccnc1-c1nnn[n-]1 ZINC001574705831 949437969 /nfs/dbraw/zinc/43/79/69/949437969.db2.gz JTIKUNSQEYSFCG-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1nccnc1-c1nn[n-]n1 ZINC001574705831 949437984 /nfs/dbraw/zinc/43/79/84/949437984.db2.gz JTIKUNSQEYSFCG-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573803285 949438226 /nfs/dbraw/zinc/43/82/26/949438226.db2.gz PVVSDOKDPFODKV-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573803285 949438236 /nfs/dbraw/zinc/43/82/36/949438236.db2.gz PVVSDOKDPFODKV-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573803276 949439421 /nfs/dbraw/zinc/43/94/21/949439421.db2.gz PHBKODKPJZFPFU-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573803276 949439437 /nfs/dbraw/zinc/43/94/37/949439437.db2.gz PHBKODKPJZFPFU-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574947104 949443355 /nfs/dbraw/zinc/44/33/55/949443355.db2.gz ZKBAZDGRAQMWLJ-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574947104 949443365 /nfs/dbraw/zinc/44/33/65/949443365.db2.gz ZKBAZDGRAQMWLJ-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM C[C@H](CNC(=O)Cn1ncc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574947513 949446157 /nfs/dbraw/zinc/44/61/57/949446157.db2.gz BRHKNOFVWSJXLR-LLVKDONJSA-N -1 1 378.400 0.623 20 0 GCADMM C[C@H](CNC(=O)Cn1ncc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574947513 949446175 /nfs/dbraw/zinc/44/61/75/949446175.db2.gz BRHKNOFVWSJXLR-LLVKDONJSA-N -1 1 378.400 0.623 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573803645 949447487 /nfs/dbraw/zinc/44/74/87/949447487.db2.gz TYDTYXAHWQHSLU-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573803645 949447498 /nfs/dbraw/zinc/44/74/98/949447498.db2.gz TYDTYXAHWQHSLU-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574467957 949447915 /nfs/dbraw/zinc/44/79/15/949447915.db2.gz AVRIUQZNQCVAOL-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574467957 949447929 /nfs/dbraw/zinc/44/79/29/949447929.db2.gz AVRIUQZNQCVAOL-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575868027 949448862 /nfs/dbraw/zinc/44/88/62/949448862.db2.gz KYCOKJGHRBQHRG-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575868027 949448880 /nfs/dbraw/zinc/44/88/80/949448880.db2.gz KYCOKJGHRBQHRG-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706192 949450676 /nfs/dbraw/zinc/45/06/76/949450676.db2.gz LKQCEAKWABAGLP-GHMZBOCLSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H]1C ZINC001576156549 949450770 /nfs/dbraw/zinc/45/07/70/949450770.db2.gz XCHBKOZYANLXIP-CKYFFXLPSA-N -1 1 376.421 0.253 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574468034 949451525 /nfs/dbraw/zinc/45/15/25/949451525.db2.gz FPNGJOHUPIDXAK-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574468034 949451539 /nfs/dbraw/zinc/45/15/39/949451539.db2.gz FPNGJOHUPIDXAK-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM C[C@@H](CNC(=O)Cn1cccn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574947827 949451951 /nfs/dbraw/zinc/45/19/51/949451951.db2.gz DOIWEGPNHASOPN-QMMMGPOBSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@@H](CNC(=O)Cn1cccn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574947827 949451969 /nfs/dbraw/zinc/45/19/69/949451969.db2.gz DOIWEGPNHASOPN-QMMMGPOBSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575265597 949452535 /nfs/dbraw/zinc/45/25/35/949452535.db2.gz VKBJGOLWERTNMJ-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575265597 949452548 /nfs/dbraw/zinc/45/25/48/949452548.db2.gz VKBJGOLWERTNMJ-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574467986 949454229 /nfs/dbraw/zinc/45/42/29/949454229.db2.gz BZDNIAYKMKUXEL-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574467986 949454251 /nfs/dbraw/zinc/45/42/51/949454251.db2.gz BZDNIAYKMKUXEL-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574468495 949461848 /nfs/dbraw/zinc/46/18/48/949461848.db2.gz MGSLCIVGLKLIKO-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574468495 949461860 /nfs/dbraw/zinc/46/18/60/949461860.db2.gz MGSLCIVGLKLIKO-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575265970 949463552 /nfs/dbraw/zinc/46/35/52/949463552.db2.gz WHOFGDASANLJNN-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575265970 949463570 /nfs/dbraw/zinc/46/35/70/949463570.db2.gz WHOFGDASANLJNN-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)n1ncc(C(=O)NCCN(C)c2cncc(-c3nnn[n-]3)n2)c1Cl ZINC001574468519 949464091 /nfs/dbraw/zinc/46/40/91/949464091.db2.gz NJXBQORADKDWQU-UHFFFAOYSA-N -1 1 390.839 0.954 20 0 GCADMM CC(C)n1ncc(C(=O)NCCN(C)c2cncc(-c3nn[n-]n3)n2)c1Cl ZINC001574468519 949464106 /nfs/dbraw/zinc/46/41/06/949464106.db2.gz NJXBQORADKDWQU-UHFFFAOYSA-N -1 1 390.839 0.954 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573804334 949466946 /nfs/dbraw/zinc/46/69/46/949466946.db2.gz USQDNDZNKCFJTD-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573804334 949466960 /nfs/dbraw/zinc/46/69/60/949466960.db2.gz USQDNDZNKCFJTD-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001574468883 949473558 /nfs/dbraw/zinc/47/35/58/949473558.db2.gz USPLFTJSDJCQTN-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001574468883 949473575 /nfs/dbraw/zinc/47/35/75/949473575.db2.gz USPLFTJSDJCQTN-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)(C)C(C)(C)CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573806183 949485023 /nfs/dbraw/zinc/48/50/23/949485023.db2.gz KMCAVENXOZXLGY-UHFFFAOYSA-N -1 1 378.437 0.501 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949161 949486930 /nfs/dbraw/zinc/48/69/30/949486930.db2.gz RJDFKIDWKWJAIZ-ZETCQYMHSA-N -1 1 382.841 0.209 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574708599 949498151 /nfs/dbraw/zinc/49/81/51/949498151.db2.gz XAXOSLGVFONJDS-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574708599 949498169 /nfs/dbraw/zinc/49/81/69/949498169.db2.gz XAXOSLGVFONJDS-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574949611 949499210 /nfs/dbraw/zinc/49/92/10/949499210.db2.gz YMWFTGOFIXQFEV-MRVPVSSYSA-N -1 1 378.347 0.408 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574949611 949499226 /nfs/dbraw/zinc/49/92/26/949499226.db2.gz YMWFTGOFIXQFEV-MRVPVSSYSA-N -1 1 378.347 0.408 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574119943 949503570 /nfs/dbraw/zinc/50/35/70/949503570.db2.gz LPXCBBVXKSILFV-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574119943 949503579 /nfs/dbraw/zinc/50/35/79/949503579.db2.gz LPXCBBVXKSILFV-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574949675 949506003 /nfs/dbraw/zinc/50/60/03/949506003.db2.gz AIBHFNBKBMRBIX-RQJHMYQMSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574949675 949506021 /nfs/dbraw/zinc/50/60/21/949506021.db2.gz AIBHFNBKBMRBIX-RQJHMYQMSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574949655 949506297 /nfs/dbraw/zinc/50/62/97/949506297.db2.gz ZVYJPTROJNGQNG-QMMMGPOBSA-N -1 1 378.347 0.408 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574949655 949506324 /nfs/dbraw/zinc/50/63/24/949506324.db2.gz ZVYJPTROJNGQNG-QMMMGPOBSA-N -1 1 378.347 0.408 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574120764 949508791 /nfs/dbraw/zinc/50/87/91/949508791.db2.gz MKQICZBGOGWFRS-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574120764 949508809 /nfs/dbraw/zinc/50/88/09/949508809.db2.gz MKQICZBGOGWFRS-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574121961 949515098 /nfs/dbraw/zinc/51/50/98/949515098.db2.gz SDHQNOTZADUSCT-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574121961 949515115 /nfs/dbraw/zinc/51/51/15/949515115.db2.gz SDHQNOTZADUSCT-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710985 949521041 /nfs/dbraw/zinc/52/10/41/949521041.db2.gz CZXRKFAOGRCVCY-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710985 949521053 /nfs/dbraw/zinc/52/10/53/949521053.db2.gz CZXRKFAOGRCVCY-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001576163374 949529827 /nfs/dbraw/zinc/52/98/27/949529827.db2.gz ARCQUQRGBOUICH-NEPJUHHUSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001576163374 949529848 /nfs/dbraw/zinc/52/98/48/949529848.db2.gz ARCQUQRGBOUICH-NEPJUHHUSA-N -1 1 390.448 0.960 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574122637 949531743 /nfs/dbraw/zinc/53/17/43/949531743.db2.gz ZLPUFKACMZQHTJ-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574122637 949531757 /nfs/dbraw/zinc/53/17/57/949531757.db2.gz ZLPUFKACMZQHTJ-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](N(CCO)c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001575538922 949535421 /nfs/dbraw/zinc/53/54/21/949535421.db2.gz LFIRJOQVHOVPMV-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](N(CCO)c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001575538922 949535436 /nfs/dbraw/zinc/53/54/36/949535436.db2.gz LFIRJOQVHOVPMV-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711464 949536625 /nfs/dbraw/zinc/53/66/25/949536625.db2.gz HNVTWCOGXVCWFR-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711464 949536640 /nfs/dbraw/zinc/53/66/40/949536640.db2.gz HNVTWCOGXVCWFR-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711465 949537863 /nfs/dbraw/zinc/53/78/63/949537863.db2.gz HNVTWCOGXVCWFR-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711465 949537874 /nfs/dbraw/zinc/53/78/74/949537874.db2.gz HNVTWCOGXVCWFR-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711487 949542490 /nfs/dbraw/zinc/54/24/90/949542490.db2.gz HTIGXQWSGMTNGN-DGCLKSJQSA-N -1 1 380.412 0.514 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574471899 949543243 /nfs/dbraw/zinc/54/32/43/949543243.db2.gz OVEYMQLVVIMPDP-HIFPTAJRSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872396 949546158 /nfs/dbraw/zinc/54/61/58/949546158.db2.gz IUWYKGSLBDDZJX-VXGBXAGGSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574950795 949546726 /nfs/dbraw/zinc/54/67/26/949546726.db2.gz UMIAPPDMJTVIJF-BQBZGAKWSA-N -1 1 384.853 0.196 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574951280 949551815 /nfs/dbraw/zinc/55/18/15/949551815.db2.gz YFMRCVYOAQJFKM-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574951280 949551832 /nfs/dbraw/zinc/55/18/32/949551832.db2.gz YFMRCVYOAQJFKM-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC001574472360 949553082 /nfs/dbraw/zinc/55/30/82/949553082.db2.gz TWALKJQKNJPPBD-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC001574472360 949553099 /nfs/dbraw/zinc/55/30/99/949553099.db2.gz TWALKJQKNJPPBD-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574472359 949554113 /nfs/dbraw/zinc/55/41/13/949554113.db2.gz TWALKJQKNJPPBD-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574472359 949554131 /nfs/dbraw/zinc/55/41/31/949554131.db2.gz TWALKJQKNJPPBD-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575539784 949557748 /nfs/dbraw/zinc/55/77/48/949557748.db2.gz SZBXQUSJWSYUAZ-VBHSOAQHSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575539784 949557763 /nfs/dbraw/zinc/55/77/63/949557763.db2.gz SZBXQUSJWSYUAZ-VBHSOAQHSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872941 949560951 /nfs/dbraw/zinc/56/09/51/949560951.db2.gz MHNMDMLWCDVZFZ-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574124447 949568952 /nfs/dbraw/zinc/56/89/52/949568952.db2.gz IDXBLBWESCBYNB-RYUDHWBXSA-N -1 1 387.448 0.207 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574124447 949568960 /nfs/dbraw/zinc/56/89/60/949568960.db2.gz IDXBLBWESCBYNB-RYUDHWBXSA-N -1 1 387.448 0.207 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574712012 949569465 /nfs/dbraw/zinc/56/94/65/949569465.db2.gz POVXDGJLDXFZIU-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574712012 949569480 /nfs/dbraw/zinc/56/94/80/949569480.db2.gz POVXDGJLDXFZIU-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712177 949569679 /nfs/dbraw/zinc/56/96/79/949569679.db2.gz PZZKGGDQGNIKFB-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712177 949569693 /nfs/dbraw/zinc/56/96/93/949569693.db2.gz PZZKGGDQGNIKFB-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712175 949570113 /nfs/dbraw/zinc/57/01/13/949570113.db2.gz PZZKGGDQGNIKFB-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712175 949570122 /nfs/dbraw/zinc/57/01/22/949570122.db2.gz PZZKGGDQGNIKFB-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712005 949570871 /nfs/dbraw/zinc/57/08/71/949570871.db2.gz PNSRNWSUXBNYSO-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712005 949570887 /nfs/dbraw/zinc/57/08/87/949570887.db2.gz PNSRNWSUXBNYSO-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270181 949577782 /nfs/dbraw/zinc/57/77/82/949577782.db2.gz BQCWABSGRIVGOZ-STQMWFEESA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270247 949581146 /nfs/dbraw/zinc/58/11/46/949581146.db2.gz BWBJQHCNSXNGOF-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270247 949581158 /nfs/dbraw/zinc/58/11/58/949581158.db2.gz BWBJQHCNSXNGOF-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574476006 949583535 /nfs/dbraw/zinc/58/35/35/949583535.db2.gz FAVABENPGKZYDA-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574476006 949583555 /nfs/dbraw/zinc/58/35/55/949583555.db2.gz FAVABENPGKZYDA-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574712687 949584472 /nfs/dbraw/zinc/58/44/72/949584472.db2.gz SXFQWNZHVCTEAJ-RQJHMYQMSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574712687 949584488 /nfs/dbraw/zinc/58/44/88/949584488.db2.gz SXFQWNZHVCTEAJ-RQJHMYQMSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270333 949585056 /nfs/dbraw/zinc/58/50/56/949585056.db2.gz ZHUIZZFFCIJVQR-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270333 949585085 /nfs/dbraw/zinc/58/50/85/949585085.db2.gz ZHUIZZFFCIJVQR-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712745 949588897 /nfs/dbraw/zinc/58/88/97/949588897.db2.gz UCIJIAGQIQQGPD-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712900 949589769 /nfs/dbraw/zinc/58/97/69/949589769.db2.gz VBFMYMNJZPYMAQ-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712900 949589787 /nfs/dbraw/zinc/58/97/87/949589787.db2.gz VBFMYMNJZPYMAQ-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712911 949589887 /nfs/dbraw/zinc/58/98/87/949589887.db2.gz VEXKIKVHSGATLT-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM CC(C)C[C@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125855 949598094 /nfs/dbraw/zinc/59/80/94/949598094.db2.gz UKIMVWGMRJYMPS-CYBMUJFWSA-N -1 1 384.448 0.693 20 0 GCADMM CC(C)C[C@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125855 949598107 /nfs/dbraw/zinc/59/81/07/949598107.db2.gz UKIMVWGMRJYMPS-CYBMUJFWSA-N -1 1 384.448 0.693 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713269 949599103 /nfs/dbraw/zinc/59/91/03/949599103.db2.gz WRLRKMFBJWCXRT-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713269 949599118 /nfs/dbraw/zinc/59/91/18/949599118.db2.gz WRLRKMFBJWCXRT-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574126089 949600906 /nfs/dbraw/zinc/60/09/06/949600906.db2.gz ZGSCYDHKKYNPDW-NDBYEHHHSA-N -1 1 399.459 0.030 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574126090 949600969 /nfs/dbraw/zinc/60/09/69/949600969.db2.gz ZGSCYDHKKYNPDW-VOAKCMCISA-N -1 1 399.459 0.030 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575546208 949608157 /nfs/dbraw/zinc/60/81/57/949608157.db2.gz PFTMQFROULHNPM-LXIYXOSZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575546208 949608168 /nfs/dbraw/zinc/60/81/68/949608168.db2.gz PFTMQFROULHNPM-LXIYXOSZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575546212 949608921 /nfs/dbraw/zinc/60/89/21/949608921.db2.gz PFTMQFROULHNPM-VBHSOAQHSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575546212 949608934 /nfs/dbraw/zinc/60/89/34/949608934.db2.gz PFTMQFROULHNPM-VBHSOAQHSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575546453 949610170 /nfs/dbraw/zinc/61/01/70/949610170.db2.gz QLAJQYQCKVYUDU-CYBMUJFWSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576167556 949610316 /nfs/dbraw/zinc/61/03/16/949610316.db2.gz QMHQPNPWWQKILB-WCQYABFASA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576167556 949610327 /nfs/dbraw/zinc/61/03/27/949610327.db2.gz QMHQPNPWWQKILB-WCQYABFASA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575271062 949611366 /nfs/dbraw/zinc/61/13/66/949611366.db2.gz HUASLBCHWLWPRB-QWHCGFSZSA-N -1 1 381.444 0.802 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575271061 949611878 /nfs/dbraw/zinc/61/18/78/949611878.db2.gz HUASLBCHWLWPRB-OLZOCXBDSA-N -1 1 381.444 0.802 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001574127695 949614027 /nfs/dbraw/zinc/61/40/27/949614027.db2.gz JBSMNAGLLANEGN-GXTWGEPZSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001574127695 949614037 /nfs/dbraw/zinc/61/40/37/949614037.db2.gz JBSMNAGLLANEGN-GXTWGEPZSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001574127696 949614895 /nfs/dbraw/zinc/61/48/95/949614895.db2.gz JBSMNAGLLANEGN-JSGCOSHPSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001574127696 949614906 /nfs/dbraw/zinc/61/49/06/949614906.db2.gz JBSMNAGLLANEGN-JSGCOSHPSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167881 949616321 /nfs/dbraw/zinc/61/63/21/949616321.db2.gz AAJRNSGLYHYUEZ-FZMZJTMJSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874761 949617826 /nfs/dbraw/zinc/61/78/26/949617826.db2.gz GOAHPNSFTFTQQU-DGCLKSJQSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874761 949617836 /nfs/dbraw/zinc/61/78/36/949617836.db2.gz GOAHPNSFTFTQQU-DGCLKSJQSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@]1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575547225 949621929 /nfs/dbraw/zinc/62/19/29/949621929.db2.gz WDRWADVNHGSHLK-UGSOOPFHSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576167974 949622754 /nfs/dbraw/zinc/62/27/54/949622754.db2.gz AXNXGRRUQPPSJG-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576167974 949622765 /nfs/dbraw/zinc/62/27/65/949622765.db2.gz AXNXGRRUQPPSJG-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574714810 949633591 /nfs/dbraw/zinc/63/35/91/949633591.db2.gz GFHPGAHRDPNZCH-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574714810 949633609 /nfs/dbraw/zinc/63/36/09/949633609.db2.gz GFHPGAHRDPNZCH-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575272085 949633711 /nfs/dbraw/zinc/63/37/11/949633711.db2.gz NHRZUHJZEJATIA-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575272142 949638778 /nfs/dbraw/zinc/63/87/78/949638778.db2.gz NZNTVEIIUUNIJK-BQBZGAKWSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575547713 949639741 /nfs/dbraw/zinc/63/97/41/949639741.db2.gz DZQFFKUBZAONPA-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575547713 949639747 /nfs/dbraw/zinc/63/97/47/949639747.db2.gz DZQFFKUBZAONPA-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573814642 949642917 /nfs/dbraw/zinc/64/29/17/949642917.db2.gz DWYHTJRWXDRRCW-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573814642 949642930 /nfs/dbraw/zinc/64/29/30/949642930.db2.gz DWYHTJRWXDRRCW-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574477285 949646365 /nfs/dbraw/zinc/64/63/65/949646365.db2.gz PTZDVFNNAOZCBI-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574477285 949646386 /nfs/dbraw/zinc/64/63/86/949646386.db2.gz PTZDVFNNAOZCBI-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM CC1(C(=O)N2CCN([C@@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)CC2)CC1 ZINC001575547972 949652321 /nfs/dbraw/zinc/65/23/21/949652321.db2.gz OSOZIDYAWHLJAN-CYBMUJFWSA-N -1 1 383.460 0.180 20 0 GCADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958179 949655897 /nfs/dbraw/zinc/65/58/97/949655897.db2.gz NBWKFYDQDVOWMD-FZVNPBSJSA-N -1 1 383.865 0.954 20 0 GCADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958179 949655911 /nfs/dbraw/zinc/65/59/11/949655911.db2.gz NBWKFYDQDVOWMD-FZVNPBSJSA-N -1 1 383.865 0.954 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168970 949656355 /nfs/dbraw/zinc/65/63/55/949656355.db2.gz DEXHZYSONBGNAC-JSGCOSHPSA-N -1 1 381.444 0.688 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001573815825 949658316 /nfs/dbraw/zinc/65/83/16/949658316.db2.gz KJAFGAWMGOLUGB-BPCQOVAHSA-N -1 1 388.476 0.573 20 0 GCADMM CC1(C(=O)N2CCN([C@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)CC2)CC1 ZINC001575548135 949659923 /nfs/dbraw/zinc/65/99/23/949659923.db2.gz SBCXOFHMIRKDAL-ZDUSSCGKSA-N -1 1 383.460 0.180 20 0 GCADMM CC1(C(=O)N2CCN([C@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)CC2)CC1 ZINC001575548135 949659933 /nfs/dbraw/zinc/65/99/33/949659933.db2.gz SBCXOFHMIRKDAL-ZDUSSCGKSA-N -1 1 383.460 0.180 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573815899 949661750 /nfs/dbraw/zinc/66/17/50/949661750.db2.gz LTBMNYVOYZWFPV-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573815899 949661767 /nfs/dbraw/zinc/66/17/67/949661767.db2.gz LTBMNYVOYZWFPV-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574958241 949661906 /nfs/dbraw/zinc/66/19/06/949661906.db2.gz HLQCMFBXGNJWKC-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574958241 949661925 /nfs/dbraw/zinc/66/19/25/949661925.db2.gz HLQCMFBXGNJWKC-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCCCC(N)=O ZINC001573816006 949666962 /nfs/dbraw/zinc/66/69/62/949666962.db2.gz OETPGRVSGOPIDN-LLVKDONJSA-N -1 1 389.464 0.067 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573815928 949667403 /nfs/dbraw/zinc/66/74/03/949667403.db2.gz LZLLHMBWNNOUBU-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573815928 949667411 /nfs/dbraw/zinc/66/74/11/949667411.db2.gz LZLLHMBWNNOUBU-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCOCC1 ZINC001573816008 949669586 /nfs/dbraw/zinc/66/95/86/949669586.db2.gz OHCXKQJUZLYFEX-LLVKDONJSA-N -1 1 392.439 0.540 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001573816133 949669969 /nfs/dbraw/zinc/66/99/69/949669969.db2.gz OOXHPQXHKHWADW-LBPRGKRZSA-N -1 1 384.448 0.377 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169283 949671670 /nfs/dbraw/zinc/67/16/70/949671670.db2.gz GEJCIHXKHSFBIB-RGDJUOJXSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169283 949671680 /nfs/dbraw/zinc/67/16/80/949671680.db2.gz GEJCIHXKHSFBIB-RGDJUOJXSA-N -1 1 384.444 0.588 20 0 GCADMM CC1(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575548383 949672871 /nfs/dbraw/zinc/67/28/71/949672871.db2.gz ZBKWDJXCROUYIV-LBPRGKRZSA-N -1 1 388.432 0.113 20 0 GCADMM CC1(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575548383 949672883 /nfs/dbraw/zinc/67/28/83/949672883.db2.gz ZBKWDJXCROUYIV-LBPRGKRZSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169273 949673099 /nfs/dbraw/zinc/67/30/99/949673099.db2.gz GEJCIHXKHSFBIB-DGTMBMJNSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169273 949673110 /nfs/dbraw/zinc/67/31/10/949673110.db2.gz GEJCIHXKHSFBIB-DGTMBMJNSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574958513 949674058 /nfs/dbraw/zinc/67/40/58/949674058.db2.gz SAQXNFWELURTRF-RBXMUDONSA-N -1 1 383.865 0.810 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574958513 949674079 /nfs/dbraw/zinc/67/40/79/949674079.db2.gz SAQXNFWELURTRF-RBXMUDONSA-N -1 1 383.865 0.810 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878201 949675650 /nfs/dbraw/zinc/67/56/50/949675650.db2.gz NWFOWLBHSQZZKF-WCQYABFASA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878201 949675660 /nfs/dbraw/zinc/67/56/60/949675660.db2.gz NWFOWLBHSQZZKF-WCQYABFASA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001574477709 949676313 /nfs/dbraw/zinc/67/63/13/949676313.db2.gz QMTLEHYRUMXDSN-CYBMUJFWSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574477709 949676321 /nfs/dbraw/zinc/67/63/21/949676321.db2.gz QMTLEHYRUMXDSN-CYBMUJFWSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575878806 949680495 /nfs/dbraw/zinc/68/04/95/949680495.db2.gz PGKWKHJAHGJGJM-DGCLKSJQSA-N -1 1 383.416 0.751 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574132118 949680484 /nfs/dbraw/zinc/68/04/84/949680484.db2.gz QOQDFNFTBFMMHK-GOSISDBHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574132118 949680496 /nfs/dbraw/zinc/68/04/96/949680496.db2.gz QOQDFNFTBFMMHK-GOSISDBHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574132131 949680809 /nfs/dbraw/zinc/68/08/09/949680809.db2.gz QXUMBKZMVGUGHE-GOSISDBHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574132131 949680822 /nfs/dbraw/zinc/68/08/22/949680822.db2.gz QXUMBKZMVGUGHE-GOSISDBHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(F)CCOC1 ZINC001573816714 949682784 /nfs/dbraw/zinc/68/27/84/949682784.db2.gz UUZLLSCZRLKMLA-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(F)CCOC1 ZINC001573816714 949682807 /nfs/dbraw/zinc/68/28/07/949682807.db2.gz UUZLLSCZRLKMLA-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574477938 949682929 /nfs/dbraw/zinc/68/29/29/949682929.db2.gz WMDNTZBQNLXPCX-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574477938 949682947 /nfs/dbraw/zinc/68/29/47/949682947.db2.gz WMDNTZBQNLXPCX-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@]1(F)CCOC1 ZINC001573816713 949685967 /nfs/dbraw/zinc/68/59/67/949685967.db2.gz UUZLLSCZRLKMLA-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@]1(F)CCOC1 ZINC001573816713 949685977 /nfs/dbraw/zinc/68/59/77/949685977.db2.gz UUZLLSCZRLKMLA-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169691 949690070 /nfs/dbraw/zinc/69/00/70/949690070.db2.gz HUHPBBIWSIJAGU-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169691 949690085 /nfs/dbraw/zinc/69/00/85/949690085.db2.gz HUHPBBIWSIJAGU-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001574478001 949690958 /nfs/dbraw/zinc/69/09/58/949690958.db2.gz UFBVWUILUBVCEL-GXTWGEPZSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001574478001 949690975 /nfs/dbraw/zinc/69/09/75/949690975.db2.gz UFBVWUILUBVCEL-GXTWGEPZSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958958 949698630 /nfs/dbraw/zinc/69/86/30/949698630.db2.gz ORIVWCDJDBQLMS-KWCYVHTRSA-N -1 1 386.460 0.884 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958958 949698644 /nfs/dbraw/zinc/69/86/44/949698644.db2.gz ORIVWCDJDBQLMS-KWCYVHTRSA-N -1 1 386.460 0.884 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCCC(N)=O ZINC001573817219 949701003 /nfs/dbraw/zinc/70/10/03/949701003.db2.gz YTXHYWJSTPPJNA-NSHDSACASA-N -1 1 375.437 0.255 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCCC(N)=O ZINC001573817219 949701020 /nfs/dbraw/zinc/70/10/20/949701020.db2.gz YTXHYWJSTPPJNA-NSHDSACASA-N -1 1 375.437 0.255 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574716764 949703346 /nfs/dbraw/zinc/70/33/46/949703346.db2.gz LQQOBCRUUNOVCZ-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574716764 949703358 /nfs/dbraw/zinc/70/33/58/949703358.db2.gz LQQOBCRUUNOVCZ-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cccnc1 ZINC001573817763 949705657 /nfs/dbraw/zinc/70/56/57/949705657.db2.gz AUUHWKNWWPDSMW-ZDUSSCGKSA-N -1 1 381.444 0.659 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCCC(N)=O ZINC001573817859 949706808 /nfs/dbraw/zinc/70/68/08/949706808.db2.gz BYIKVWOCLZETNB-NSHDSACASA-N -1 1 375.437 0.255 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCCC(N)=O ZINC001573817859 949706827 /nfs/dbraw/zinc/70/68/27/949706827.db2.gz BYIKVWOCLZETNB-NSHDSACASA-N -1 1 375.437 0.255 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574959447 949713656 /nfs/dbraw/zinc/71/36/56/949713656.db2.gz SKIDPAQKZDVYTN-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574959447 949713668 /nfs/dbraw/zinc/71/36/68/949713668.db2.gz SKIDPAQKZDVYTN-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170494 949716719 /nfs/dbraw/zinc/71/67/19/949716719.db2.gz LJHVIPLRXQCNFK-GXTWGEPZSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574478846 949721880 /nfs/dbraw/zinc/72/18/80/949721880.db2.gz BJTFICZQMDUDCO-TZMCWYRMSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@]12CN(C(=O)[C@]3(C)CCCOC3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575557600 949722189 /nfs/dbraw/zinc/72/21/89/949722189.db2.gz IYDDQSVENCXOGP-ZNOIYHFQSA-N -1 1 398.471 0.758 20 0 GCADMM C[C@]12CN(C(=O)[C@]3(C)CCCOC3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575557600 949722202 /nfs/dbraw/zinc/72/22/02/949722202.db2.gz IYDDQSVENCXOGP-ZNOIYHFQSA-N -1 1 398.471 0.758 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574134618 949722651 /nfs/dbraw/zinc/72/26/51/949722651.db2.gz HYUUARQPSWJTNS-KGLIPLIRSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574134618 949722670 /nfs/dbraw/zinc/72/26/70/949722670.db2.gz HYUUARQPSWJTNS-KGLIPLIRSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881583 949729160 /nfs/dbraw/zinc/72/91/60/949729160.db2.gz ZIXPIEHMKBPGEF-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881583 949729170 /nfs/dbraw/zinc/72/91/70/949729170.db2.gz ZIXPIEHMKBPGEF-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCNC1=O ZINC001573818461 949729353 /nfs/dbraw/zinc/72/93/53/949729353.db2.gz LUULPLJDBDHXJM-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCNC1=O ZINC001573818461 949729370 /nfs/dbraw/zinc/72/93/70/949729370.db2.gz LUULPLJDBDHXJM-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cncn1 ZINC001573818529 949738124 /nfs/dbraw/zinc/73/81/24/949738124.db2.gz NDAPMJCVXDIGGV-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cncn1 ZINC001573818529 949738148 /nfs/dbraw/zinc/73/81/48/949738148.db2.gz NDAPMJCVXDIGGV-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574962555 949739224 /nfs/dbraw/zinc/73/92/24/949739224.db2.gz BKHALMSKVAGBNJ-NKWVEPMBSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574962555 949739234 /nfs/dbraw/zinc/73/92/34/949739234.db2.gz BKHALMSKVAGBNJ-NKWVEPMBSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881827 949739779 /nfs/dbraw/zinc/73/97/79/949739779.db2.gz BMAAFNKBRHVOJF-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881827 949739798 /nfs/dbraw/zinc/73/97/98/949739798.db2.gz BMAAFNKBRHVOJF-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881943 949742411 /nfs/dbraw/zinc/74/24/11/949742411.db2.gz DHFKMXKUGGMTJJ-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881943 949742429 /nfs/dbraw/zinc/74/24/29/949742429.db2.gz DHFKMXKUGGMTJJ-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575558767 949743008 /nfs/dbraw/zinc/74/30/08/949743008.db2.gz RVMFXMMOUZHIAV-KZULUSFZSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1ccnc1 ZINC001574480075 949744990 /nfs/dbraw/zinc/74/49/90/949744990.db2.gz GUJHXMIYDRYKAY-GFCCVEGCSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001576171024 949745837 /nfs/dbraw/zinc/74/58/37/949745837.db2.gz OUTHSSNTRWIRHI-LLVKDONJSA-N -1 1 396.448 0.933 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576171024 949745852 /nfs/dbraw/zinc/74/58/52/949745852.db2.gz OUTHSSNTRWIRHI-LLVKDONJSA-N -1 1 396.448 0.933 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574480444 949751280 /nfs/dbraw/zinc/75/12/80/949751280.db2.gz ILYRGNXNANQZRU-JSGCOSHPSA-N -1 1 379.428 0.680 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574480504 949752847 /nfs/dbraw/zinc/75/28/47/949752847.db2.gz JHUQCJFFITWHRV-VHSXEESVSA-N -1 1 384.366 0.928 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cncn1 ZINC001573820303 949764292 /nfs/dbraw/zinc/76/42/92/949764292.db2.gz XFTXCOPCMRMVNP-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cncn1 ZINC001573820303 949764312 /nfs/dbraw/zinc/76/43/12/949764312.db2.gz XFTXCOPCMRMVNP-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171498 949765676 /nfs/dbraw/zinc/76/56/76/949765676.db2.gz RGQCZJUXEVROJE-RLPMIEJPSA-N -1 1 384.444 0.010 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)CCOC1 ZINC001575559762 949767547 /nfs/dbraw/zinc/76/75/47/949767547.db2.gz GDMAXWSGCKYQPE-DYVFJYSZSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)CCOC1 ZINC001575559762 949767565 /nfs/dbraw/zinc/76/75/65/949767565.db2.gz GDMAXWSGCKYQPE-DYVFJYSZSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)CCOC1 ZINC001575559761 949768342 /nfs/dbraw/zinc/76/83/42/949768342.db2.gz GDMAXWSGCKYQPE-CXAGYDPISA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)CCOC1 ZINC001575559761 949768366 /nfs/dbraw/zinc/76/83/66/949768366.db2.gz GDMAXWSGCKYQPE-CXAGYDPISA-N -1 1 384.444 0.558 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171780 949781506 /nfs/dbraw/zinc/78/15/06/949781506.db2.gz SEGFLIWSLDAZMT-GXTWGEPZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171780 949781521 /nfs/dbraw/zinc/78/15/21/949781521.db2.gz SEGFLIWSLDAZMT-GXTWGEPZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575882597 949782318 /nfs/dbraw/zinc/78/23/18/949782318.db2.gz NEBJZJDADSTGHP-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575882597 949782330 /nfs/dbraw/zinc/78/23/30/949782330.db2.gz NEBJZJDADSTGHP-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574964834 949786756 /nfs/dbraw/zinc/78/67/56/949786756.db2.gz AMJCTEVSIHKTSS-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574964834 949786775 /nfs/dbraw/zinc/78/67/75/949786775.db2.gz AMJCTEVSIHKTSS-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575279778 949788696 /nfs/dbraw/zinc/78/86/96/949788696.db2.gz ZTJOPDWLQOYZFJ-QWRGUYRKSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575279778 949788707 /nfs/dbraw/zinc/78/87/07/949788707.db2.gz ZTJOPDWLQOYZFJ-QWRGUYRKSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574481582 949789056 /nfs/dbraw/zinc/78/90/56/949789056.db2.gz RSMDADWNKXOBKC-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574481582 949789064 /nfs/dbraw/zinc/78/90/64/949789064.db2.gz RSMDADWNKXOBKC-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001573822208 949789365 /nfs/dbraw/zinc/78/93/65/949789365.db2.gz GRUVWIBZLLFMHG-GHMZBOCLSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001573822208 949789374 /nfs/dbraw/zinc/78/93/74/949789374.db2.gz GRUVWIBZLLFMHG-GHMZBOCLSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574964922 949790799 /nfs/dbraw/zinc/79/07/99/949790799.db2.gz BZSLJLCKYOVOPY-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574964922 949790807 /nfs/dbraw/zinc/79/08/07/949790807.db2.gz BZSLJLCKYOVOPY-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172091 949791226 /nfs/dbraw/zinc/79/12/26/949791226.db2.gz UPXFFHVXCSPKBX-NMQNIBJMSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172091 949791233 /nfs/dbraw/zinc/79/12/33/949791233.db2.gz UPXFFHVXCSPKBX-NMQNIBJMSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nnn[n-]2)C3)CCOC1 ZINC001575560554 949791643 /nfs/dbraw/zinc/79/16/43/949791643.db2.gz ROIHLZATDVPOEY-OBQNUFEDSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nn[n-]n2)C3)CCOC1 ZINC001575560554 949791654 /nfs/dbraw/zinc/79/16/54/949791654.db2.gz ROIHLZATDVPOEY-OBQNUFEDSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)CCOC1 ZINC001575560569 949793004 /nfs/dbraw/zinc/79/30/04/949793004.db2.gz SDUDLYNSUTXCAI-PXAZEXFGSA-N -1 1 384.444 0.558 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574138694 949794287 /nfs/dbraw/zinc/79/42/87/949794287.db2.gz FGGDYDDRVZGXNV-UGSOOPFHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574138694 949794301 /nfs/dbraw/zinc/79/43/01/949794301.db2.gz FGGDYDDRVZGXNV-UGSOOPFHSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172137 949795971 /nfs/dbraw/zinc/79/59/71/949795971.db2.gz VOOLMGJHXQGHOU-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)CCOC1 ZINC001575560820 949797154 /nfs/dbraw/zinc/79/71/54/949797154.db2.gz VCLAAWIWADZBQR-YVEFUNNKSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)CCOC1 ZINC001575560820 949797170 /nfs/dbraw/zinc/79/71/70/949797170.db2.gz VCLAAWIWADZBQR-YVEFUNNKSA-N -1 1 384.444 0.558 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573822566 949797857 /nfs/dbraw/zinc/79/78/57/949797857.db2.gz JUDCNFLOQMBCLP-MNOVXSKESA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573822566 949797869 /nfs/dbraw/zinc/79/78/69/949797869.db2.gz JUDCNFLOQMBCLP-MNOVXSKESA-N -1 1 387.448 0.126 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CC23CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)CCOC1 ZINC001575561068 949803495 /nfs/dbraw/zinc/80/34/95/949803495.db2.gz YXFOWUNIBDTJAE-GUYCJALGSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CC23CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)CCOC1 ZINC001575561068 949803518 /nfs/dbraw/zinc/80/35/18/949803518.db2.gz YXFOWUNIBDTJAE-GUYCJALGSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172400 949807742 /nfs/dbraw/zinc/80/77/42/949807742.db2.gz WRLHEOLVBIVFQD-DGCLKSJQSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172400 949807763 /nfs/dbraw/zinc/80/77/63/949807763.db2.gz WRLHEOLVBIVFQD-DGCLKSJQSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281311 949809487 /nfs/dbraw/zinc/80/94/87/949809487.db2.gz FOEPFRDLUATGRF-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281311 949809510 /nfs/dbraw/zinc/80/95/10/949809510.db2.gz FOEPFRDLUATGRF-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574481932 949811295 /nfs/dbraw/zinc/81/12/95/949811295.db2.gz XSDGEZNHKXHHSF-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574481932 949811316 /nfs/dbraw/zinc/81/13/16/949811316.db2.gz XSDGEZNHKXHHSF-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574721123 949811600 /nfs/dbraw/zinc/81/16/00/949811600.db2.gz JKFTVMSQVUMLNF-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574721123 949811612 /nfs/dbraw/zinc/81/16/12/949811612.db2.gz JKFTVMSQVUMLNF-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574965748 949812801 /nfs/dbraw/zinc/81/28/01/949812801.db2.gz LAYSYYMNWVOTHK-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574965748 949812822 /nfs/dbraw/zinc/81/28/22/949812822.db2.gz LAYSYYMNWVOTHK-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576172567 949813191 /nfs/dbraw/zinc/81/31/91/949813191.db2.gz XHGHEWHWTMGQSU-YPMHNXCESA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576172567 949813216 /nfs/dbraw/zinc/81/32/16/949813216.db2.gz XHGHEWHWTMGQSU-YPMHNXCESA-N -1 1 387.448 0.351 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574139559 949818679 /nfs/dbraw/zinc/81/86/79/949818679.db2.gz KNDILIQNWIAYOT-SCLBCKFNSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574139559 949818691 /nfs/dbraw/zinc/81/86/91/949818691.db2.gz KNDILIQNWIAYOT-SCLBCKFNSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172835 949820713 /nfs/dbraw/zinc/82/07/13/949820713.db2.gz YOCZDPGAOPTHPH-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172835 949820736 /nfs/dbraw/zinc/82/07/36/949820736.db2.gz YOCZDPGAOPTHPH-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574965922 949825734 /nfs/dbraw/zinc/82/57/34/949825734.db2.gz OUYZUUVHALVLSC-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574965922 949825763 /nfs/dbraw/zinc/82/57/63/949825763.db2.gz OUYZUUVHALVLSC-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575883660 949826870 /nfs/dbraw/zinc/82/68/70/949826870.db2.gz SCBSITHUHVGBFI-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574966023 949831520 /nfs/dbraw/zinc/83/15/20/949831520.db2.gz RSIIOWWGMCRXJI-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574966023 949831530 /nfs/dbraw/zinc/83/15/30/949831530.db2.gz RSIIOWWGMCRXJI-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575282428 949834721 /nfs/dbraw/zinc/83/47/21/949834721.db2.gz BMPHDMVHLGIIFE-NWDGAFQWSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575282428 949834751 /nfs/dbraw/zinc/83/47/51/949834751.db2.gz BMPHDMVHLGIIFE-NWDGAFQWSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574966290 949846000 /nfs/dbraw/zinc/84/60/00/949846000.db2.gz WMHSTRACFQVNAF-XVMARJQXSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574966290 949846017 /nfs/dbraw/zinc/84/60/17/949846017.db2.gz WMHSTRACFQVNAF-XVMARJQXSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574966512 949848463 /nfs/dbraw/zinc/84/84/63/949848463.db2.gz ZVYJWINQFDTJPC-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574966512 949848482 /nfs/dbraw/zinc/84/84/82/949848482.db2.gz ZVYJWINQFDTJPC-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574966493 949848987 /nfs/dbraw/zinc/84/89/87/949848987.db2.gz ZOXPHCJAUUYDDJ-XVMARJQXSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574966493 949849007 /nfs/dbraw/zinc/84/90/07/949849007.db2.gz ZOXPHCJAUUYDDJ-XVMARJQXSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574483959 949849048 /nfs/dbraw/zinc/84/90/48/949849048.db2.gz AONXUJZIRRPILP-CHWSQXEVSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574484039 949851680 /nfs/dbraw/zinc/85/16/80/949851680.db2.gz CTKRVNCRCJHXRO-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574484039 949851701 /nfs/dbraw/zinc/85/17/01/949851701.db2.gz CTKRVNCRCJHXRO-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722926 949853766 /nfs/dbraw/zinc/85/37/66/949853766.db2.gz YIEHCCARVGLGIF-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722926 949853784 /nfs/dbraw/zinc/85/37/84/949853784.db2.gz YIEHCCARVGLGIF-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574483976 949855200 /nfs/dbraw/zinc/85/52/00/949855200.db2.gz AZHYSGJTOIFVET-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574483976 949855215 /nfs/dbraw/zinc/85/52/15/949855215.db2.gz AZHYSGJTOIFVET-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3ccc(-c4nnn[n-]4)nn3)(C1)C2 ZINC001573824936 949855347 /nfs/dbraw/zinc/85/53/47/949855347.db2.gz IFZLBOKGPZMIJW-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3ccc(-c4nn[n-]n4)nn3)(C1)C2 ZINC001573824936 949855362 /nfs/dbraw/zinc/85/53/62/949855362.db2.gz IFZLBOKGPZMIJW-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3cncc(-c4nnn[n-]4)n3)(C1)C2 ZINC001573824949 949856943 /nfs/dbraw/zinc/85/69/43/949856943.db2.gz IMMBYXFWDMGMTF-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3cncc(-c4nn[n-]n4)n3)(C1)C2 ZINC001573824949 949856963 /nfs/dbraw/zinc/85/69/63/949856963.db2.gz IMMBYXFWDMGMTF-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574723651 949858880 /nfs/dbraw/zinc/85/88/80/949858880.db2.gz ANBCXFIANKPIRO-SNVBAGLBSA-N -1 1 390.839 0.278 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574484204 949863752 /nfs/dbraw/zinc/86/37/52/949863752.db2.gz FHZRPWKDEBABNX-STQMWFEESA-N -1 1 382.432 0.329 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574484188 949864946 /nfs/dbraw/zinc/86/49/46/949864946.db2.gz FFJVMGVVNKYMFF-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574484188 949864965 /nfs/dbraw/zinc/86/49/65/949864965.db2.gz FFJVMGVVNKYMFF-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574484230 949872809 /nfs/dbraw/zinc/87/28/09/949872809.db2.gz FXTFOJCJUMABIW-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574484230 949872831 /nfs/dbraw/zinc/87/28/31/949872831.db2.gz FXTFOJCJUMABIW-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178038 949874697 /nfs/dbraw/zinc/87/46/97/949874697.db2.gz AOYHQWIBIYTSMX-NXEZZACHSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283598 949874761 /nfs/dbraw/zinc/87/47/61/949874761.db2.gz QFUJUHQEFHZPPP-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283598 949874794 /nfs/dbraw/zinc/87/47/94/949874794.db2.gz QFUJUHQEFHZPPP-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574484291 949875628 /nfs/dbraw/zinc/87/56/28/949875628.db2.gz XZGPDKBKBXEOOF-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574484291 949875649 /nfs/dbraw/zinc/87/56/49/949875649.db2.gz XZGPDKBKBXEOOF-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574484507 949881302 /nfs/dbraw/zinc/88/13/02/949881302.db2.gz IPFCTOONVGRNPP-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574484507 949881322 /nfs/dbraw/zinc/88/13/22/949881322.db2.gz IPFCTOONVGRNPP-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575565365 949882825 /nfs/dbraw/zinc/88/28/25/949882825.db2.gz VZEOLVAEMBOQJA-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575565365 949882849 /nfs/dbraw/zinc/88/28/49/949882849.db2.gz VZEOLVAEMBOQJA-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178469 949887007 /nfs/dbraw/zinc/88/70/07/949887007.db2.gz BPPBJNHIRXNYOO-YPMHNXCESA-N -1 1 382.432 0.165 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574968323 949890435 /nfs/dbraw/zinc/89/04/35/949890435.db2.gz NSUSRTJATWKFQA-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574968323 949890453 /nfs/dbraw/zinc/89/04/53/949890453.db2.gz NSUSRTJATWKFQA-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM CCCCn1c(N)c(N(CC)C(=O)CN(C)C[C@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC001589667092 949897969 /nfs/dbraw/zinc/89/79/69/949897969.db2.gz HFCXCHFLRMOAJX-NSHDSACASA-N -1 1 383.449 0.337 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575284242 949900597 /nfs/dbraw/zinc/90/05/97/949900597.db2.gz SUKNHIQSVGYDHN-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575284242 949900611 /nfs/dbraw/zinc/90/06/11/949900611.db2.gz SUKNHIQSVGYDHN-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573826033 949901816 /nfs/dbraw/zinc/90/18/16/949901816.db2.gz FISCNLRJJWDRSX-NEPJUHHUSA-N -1 1 375.433 0.850 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179030 949908201 /nfs/dbraw/zinc/90/82/01/949908201.db2.gz DIIUSRAVCIFNAD-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179030 949908227 /nfs/dbraw/zinc/90/82/27/949908227.db2.gz DIIUSRAVCIFNAD-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574968851 949911414 /nfs/dbraw/zinc/91/14/14/949911414.db2.gz ULDOLJZUQZAQNX-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574968851 949911430 /nfs/dbraw/zinc/91/14/30/949911430.db2.gz ULDOLJZUQZAQNX-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576179339 949911907 /nfs/dbraw/zinc/91/19/07/949911907.db2.gz FPFJPNGULKHUQR-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576179339 949911926 /nfs/dbraw/zinc/91/19/26/949911926.db2.gz FPFJPNGULKHUQR-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575284603 949913355 /nfs/dbraw/zinc/91/33/55/949913355.db2.gz KAHOQDMRACOUDU-NWDGAFQWSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575284603 949913380 /nfs/dbraw/zinc/91/33/80/949913380.db2.gz KAHOQDMRACOUDU-NWDGAFQWSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179723 949921192 /nfs/dbraw/zinc/92/11/92/949921192.db2.gz BWJRWAHCZQZXJH-OCCSQVGLSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179723 949921216 /nfs/dbraw/zinc/92/12/16/949921216.db2.gz BWJRWAHCZQZXJH-OCCSQVGLSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576179699 949922081 /nfs/dbraw/zinc/92/20/81/949922081.db2.gz BVQOHCPVYPQDBN-TZMCWYRMSA-N -1 1 382.428 0.811 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179848 949930704 /nfs/dbraw/zinc/93/07/04/949930704.db2.gz MFZDZOBJMXIZAH-CABZTGNLSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179848 949930724 /nfs/dbraw/zinc/93/07/24/949930724.db2.gz MFZDZOBJMXIZAH-CABZTGNLSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CCOC1 ZINC001575570194 949935251 /nfs/dbraw/zinc/93/52/51/949935251.db2.gz QDGIPLQKTUZMQG-UGSOOPFHSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CCOC1 ZINC001575570194 949935269 /nfs/dbraw/zinc/93/52/69/949935269.db2.gz QDGIPLQKTUZMQG-UGSOOPFHSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574146268 949939194 /nfs/dbraw/zinc/93/91/94/949939194.db2.gz XCMDICPYTIIKPH-MELADBBJSA-N -1 1 388.476 0.979 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575285256 949943749 /nfs/dbraw/zinc/94/37/49/949943749.db2.gz LYUHVWFEJKUYQJ-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575285256 949943763 /nfs/dbraw/zinc/94/37/63/949943763.db2.gz LYUHVWFEJKUYQJ-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574488069 949944327 /nfs/dbraw/zinc/94/43/27/949944327.db2.gz DBJYVHUNYKFJLO-GXTWGEPZSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180201 949945304 /nfs/dbraw/zinc/94/53/04/949945304.db2.gz NLYADKYROBHTBU-PWSUYJOCSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180199 949946193 /nfs/dbraw/zinc/94/61/93/949946193.db2.gz NLYADKYROBHTBU-JQWIXIFHSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727026 949948118 /nfs/dbraw/zinc/94/81/18/949948118.db2.gz NQOBICDCAWMIPG-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727026 949948141 /nfs/dbraw/zinc/94/81/41/949948141.db2.gz NQOBICDCAWMIPG-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727018 949950523 /nfs/dbraw/zinc/95/05/23/949950523.db2.gz NISZUPCFYLFWGM-LLVKDONJSA-N -1 1 386.391 0.556 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)n21 ZINC001576180252 949950638 /nfs/dbraw/zinc/95/06/38/949950638.db2.gz OCFQUGQEZBUUEY-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)n21 ZINC001576180252 949950663 /nfs/dbraw/zinc/95/06/63/949950663.db2.gz OCFQUGQEZBUUEY-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574727113 949957114 /nfs/dbraw/zinc/95/71/14/949957114.db2.gz PIZIURXHNCAWGU-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574727113 949957135 /nfs/dbraw/zinc/95/71/35/949957135.db2.gz PIZIURXHNCAWGU-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1ccnc1 ZINC001574489629 949965577 /nfs/dbraw/zinc/96/55/77/949965577.db2.gz JYJBJVCOGNMIQD-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574489629 949965599 /nfs/dbraw/zinc/96/55/99/949965599.db2.gz JYJBJVCOGNMIQD-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180577 949966417 /nfs/dbraw/zinc/96/64/17/949966417.db2.gz FGNCQTPVKKODKW-YPMHNXCESA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180577 949966429 /nfs/dbraw/zinc/96/64/29/949966429.db2.gz FGNCQTPVKKODKW-YPMHNXCESA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574727440 949966374 /nfs/dbraw/zinc/96/63/74/949966374.db2.gz SUYJTJZYQNRXGG-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574727440 949966391 /nfs/dbraw/zinc/96/63/91/949966391.db2.gz SUYJTJZYQNRXGG-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727565 949971921 /nfs/dbraw/zinc/97/19/21/949971921.db2.gz VIQGCWSIGGQKCH-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727565 949971936 /nfs/dbraw/zinc/97/19/36/949971936.db2.gz VIQGCWSIGGQKCH-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575286399 949977878 /nfs/dbraw/zinc/97/78/78/949977878.db2.gz VVJBKDPKTKUUQN-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575286399 949977895 /nfs/dbraw/zinc/97/78/95/949977895.db2.gz VVJBKDPKTKUUQN-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181229 949992377 /nfs/dbraw/zinc/99/23/77/949992377.db2.gz KYXUEGPUTOQECS-GWCFXTLKSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181229 949992397 /nfs/dbraw/zinc/99/23/97/949992397.db2.gz KYXUEGPUTOQECS-GWCFXTLKSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574490398 949992802 /nfs/dbraw/zinc/99/28/02/949992802.db2.gz RBOQIWYQRNMVGE-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574490398 949992814 /nfs/dbraw/zinc/99/28/14/949992814.db2.gz RBOQIWYQRNMVGE-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181283 949995595 /nfs/dbraw/zinc/99/55/95/949995595.db2.gz LMHHUONWOKWKOX-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181283 949995618 /nfs/dbraw/zinc/99/56/18/949995618.db2.gz LMHHUONWOKWKOX-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM CC(C)(C)CC(=O)N1CCC(N(CCO)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573831451 950002523 /nfs/dbraw/zinc/00/25/23/950002523.db2.gz YOBCOXGVXDFUIO-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC(N(CCO)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573831451 950002545 /nfs/dbraw/zinc/00/25/45/950002545.db2.gz YOBCOXGVXDFUIO-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573833664 950009042 /nfs/dbraw/zinc/00/90/42/950009042.db2.gz BFNQRQFCANNMCT-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573833664 950009063 /nfs/dbraw/zinc/00/90/63/950009063.db2.gz BFNQRQFCANNMCT-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574490694 950014154 /nfs/dbraw/zinc/01/41/54/950014154.db2.gz XKHLKSJMILIZEJ-DGCLKSJQSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181763 950018820 /nfs/dbraw/zinc/01/88/20/950018820.db2.gz MQEAGDCLLRCMLA-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181763 950018845 /nfs/dbraw/zinc/01/88/45/950018845.db2.gz MQEAGDCLLRCMLA-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)C1(C)CCOCC1 ZINC001575574380 950020072 /nfs/dbraw/zinc/02/00/72/950020072.db2.gz UTWJHKQFAFMPFJ-LBPRGKRZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)C1(C)CCOCC1 ZINC001575574380 950020091 /nfs/dbraw/zinc/02/00/91/950020091.db2.gz UTWJHKQFAFMPFJ-LBPRGKRZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574729601 950022432 /nfs/dbraw/zinc/02/24/32/950022432.db2.gz OXNHMHDEZNHDPJ-JTQLQIEISA-N -1 1 383.416 0.446 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182308 950044501 /nfs/dbraw/zinc/04/45/01/950044501.db2.gz NWNNTPQEUZKJRS-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182308 950044524 /nfs/dbraw/zinc/04/45/24/950044524.db2.gz NWNNTPQEUZKJRS-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730932 950044910 /nfs/dbraw/zinc/04/49/10/950044910.db2.gz SZMURFCWCHXQMY-JTQLQIEISA-N -1 1 388.382 0.858 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573835379 950050830 /nfs/dbraw/zinc/05/08/30/950050830.db2.gz WGIYOSBQKXECHA-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573835379 950050853 /nfs/dbraw/zinc/05/08/53/950050853.db2.gz WGIYOSBQKXECHA-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC001575575405 950051340 /nfs/dbraw/zinc/05/13/40/950051340.db2.gz ISRNWWYJPIHGSP-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC001575575405 950051366 /nfs/dbraw/zinc/05/13/66/950051366.db2.gz ISRNWWYJPIHGSP-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732458 950072019 /nfs/dbraw/zinc/07/20/19/950072019.db2.gz IPHRVETUAKCWFL-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573836166 950075243 /nfs/dbraw/zinc/07/52/43/950075243.db2.gz GSIAOANVQNZUJJ-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573836166 950075264 /nfs/dbraw/zinc/07/52/64/950075264.db2.gz GSIAOANVQNZUJJ-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574732532 950077084 /nfs/dbraw/zinc/07/70/84/950077084.db2.gz JKNWUOKYYLUYAS-RYUDHWBXSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574732532 950077105 /nfs/dbraw/zinc/07/71/05/950077105.db2.gz JKNWUOKYYLUYAS-RYUDHWBXSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573836292 950078849 /nfs/dbraw/zinc/07/88/49/950078849.db2.gz JNPCLGWAAJABQF-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573836292 950078869 /nfs/dbraw/zinc/07/88/69/950078869.db2.gz JNPCLGWAAJABQF-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574492424 950081315 /nfs/dbraw/zinc/08/13/15/950081315.db2.gz AWVZFQJEUXAFHG-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574492424 950081337 /nfs/dbraw/zinc/08/13/37/950081337.db2.gz AWVZFQJEUXAFHG-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574492420 950082365 /nfs/dbraw/zinc/08/23/65/950082365.db2.gz AWEBJPLNQRNDHG-WCQYABFASA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183387 950085993 /nfs/dbraw/zinc/08/59/93/950085993.db2.gz RAFMEEUZHZHNRM-GHMZBOCLSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183357 950087884 /nfs/dbraw/zinc/08/78/84/950087884.db2.gz PXFCKSIMUZBECV-VXGBXAGGSA-N -1 1 383.416 0.206 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574492467 950088225 /nfs/dbraw/zinc/08/82/25/950088225.db2.gz MZPMAMFIQQZODT-XNWIYYODSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183421 950090379 /nfs/dbraw/zinc/09/03/79/950090379.db2.gz RPSSRVLQEVUQAY-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183421 950090401 /nfs/dbraw/zinc/09/04/01/950090401.db2.gz RPSSRVLQEVUQAY-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574492583 950094658 /nfs/dbraw/zinc/09/46/58/950094658.db2.gz BMUJLXCRESGKIV-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574492583 950094681 /nfs/dbraw/zinc/09/46/81/950094681.db2.gz BMUJLXCRESGKIV-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575582061 950097987 /nfs/dbraw/zinc/09/79/87/950097987.db2.gz CZLSAWJALJLVCL-SFHVURJKSA-N -1 1 386.460 0.685 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575582060 950100244 /nfs/dbraw/zinc/10/02/44/950100244.db2.gz CZLSAWJALJLVCL-GOSISDBHSA-N -1 1 386.460 0.685 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575582162 950103228 /nfs/dbraw/zinc/10/32/28/950103228.db2.gz AIEAHESRQCXSPN-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575582162 950103240 /nfs/dbraw/zinc/10/32/40/950103240.db2.gz AIEAHESRQCXSPN-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183844 950105275 /nfs/dbraw/zinc/10/52/75/950105275.db2.gz RNGPJSPPGMOJKX-QWHCGFSZSA-N -1 1 381.444 0.546 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183842 950105460 /nfs/dbraw/zinc/10/54/60/950105460.db2.gz RNGPJSPPGMOJKX-OLZOCXBDSA-N -1 1 381.444 0.546 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183808 950106149 /nfs/dbraw/zinc/10/61/49/950106149.db2.gz REMXBYBDVDMNLA-YPMHNXCESA-N -1 1 383.416 0.206 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CCOCC1 ZINC001575582270 950107700 /nfs/dbraw/zinc/10/77/00/950107700.db2.gz CMGAATAASZOFLU-XYYAHUGASA-N -1 1 384.444 0.272 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184094 950115754 /nfs/dbraw/zinc/11/57/54/950115754.db2.gz TWLJLHABOXXNME-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184094 950115762 /nfs/dbraw/zinc/11/57/62/950115762.db2.gz TWLJLHABOXXNME-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM O=CNc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC001595295340 950119054 /nfs/dbraw/zinc/11/90/54/950119054.db2.gz FOPYTOSUZNFHHB-NWDGAFQWSA-N -1 1 387.314 0.991 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733650 950120801 /nfs/dbraw/zinc/12/08/01/950120801.db2.gz FHLCQNADARGUEB-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733650 950120821 /nfs/dbraw/zinc/12/08/21/950120821.db2.gz FHLCQNADARGUEB-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184334 950124019 /nfs/dbraw/zinc/12/40/19/950124019.db2.gz UXRGCYQIEQXABC-DGCLKSJQSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184334 950124030 /nfs/dbraw/zinc/12/40/30/950124030.db2.gz UXRGCYQIEQXABC-DGCLKSJQSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184388 950128656 /nfs/dbraw/zinc/12/86/56/950128656.db2.gz VGUHEEBPJODASR-VXGBXAGGSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184388 950128684 /nfs/dbraw/zinc/12/86/84/950128684.db2.gz VGUHEEBPJODASR-VXGBXAGGSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184367 950129674 /nfs/dbraw/zinc/12/96/74/950129674.db2.gz WFHRGICLZYAUMT-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184367 950129697 /nfs/dbraw/zinc/12/96/97/950129697.db2.gz WFHRGICLZYAUMT-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001574493447 950132619 /nfs/dbraw/zinc/13/26/19/950132619.db2.gz GXOPIROGEUSPDP-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001574493447 950132633 /nfs/dbraw/zinc/13/26/33/950132633.db2.gz GXOPIROGEUSPDP-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574493620 950136782 /nfs/dbraw/zinc/13/67/82/950136782.db2.gz UXMWXPUDAWVAIL-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574493620 950136793 /nfs/dbraw/zinc/13/67/93/950136793.db2.gz UXMWXPUDAWVAIL-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184720 950140877 /nfs/dbraw/zinc/14/08/77/950140877.db2.gz XDXJKZJJVHIFHR-GXFFZTMASA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184720 950140890 /nfs/dbraw/zinc/14/08/90/950140890.db2.gz XDXJKZJJVHIFHR-GXFFZTMASA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184722 950142556 /nfs/dbraw/zinc/14/25/56/950142556.db2.gz XDXJKZJJVHIFHR-ZWNOBZJWSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184722 950142566 /nfs/dbraw/zinc/14/25/66/950142566.db2.gz XDXJKZJJVHIFHR-ZWNOBZJWSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184754 950142723 /nfs/dbraw/zinc/14/27/23/950142723.db2.gz XLKYAVBGEXBZSH-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184754 950142731 /nfs/dbraw/zinc/14/27/31/950142731.db2.gz XLKYAVBGEXBZSH-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574493923 950146857 /nfs/dbraw/zinc/14/68/57/950146857.db2.gz VJRBNMWBAGKHKI-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574493923 950146868 /nfs/dbraw/zinc/14/68/68/950146868.db2.gz VJRBNMWBAGKHKI-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185098 950157410 /nfs/dbraw/zinc/15/74/10/950157410.db2.gz ZNGNXDGAGVHFTM-RYUDHWBXSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185098 950157425 /nfs/dbraw/zinc/15/74/25/950157425.db2.gz ZNGNXDGAGVHFTM-RYUDHWBXSA-N -1 1 386.416 0.441 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574154122 950163807 /nfs/dbraw/zinc/16/38/07/950163807.db2.gz BQJYDXJIHUVVKR-DGCLKSJQSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574154122 950163833 /nfs/dbraw/zinc/16/38/33/950163833.db2.gz BQJYDXJIHUVVKR-DGCLKSJQSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190527 950165117 /nfs/dbraw/zinc/16/51/17/950165117.db2.gz AFGJJLHGNDHEHZ-RYUDHWBXSA-N -1 1 382.432 0.022 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574494480 950165964 /nfs/dbraw/zinc/16/59/64/950165964.db2.gz ZMFVOJBUDPRIQN-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574494480 950165978 /nfs/dbraw/zinc/16/59/78/950165978.db2.gz ZMFVOJBUDPRIQN-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899454 950169981 /nfs/dbraw/zinc/16/99/81/950169981.db2.gz WGXASYQJCJUDII-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899454 950170005 /nfs/dbraw/zinc/17/00/05/950170005.db2.gz WGXASYQJCJUDII-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574982561 950171876 /nfs/dbraw/zinc/17/18/76/950171876.db2.gz DHEFFTGGLXQVNB-RXMQYKEDSA-N -1 1 383.825 0.646 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574982561 950171883 /nfs/dbraw/zinc/17/18/83/950171883.db2.gz DHEFFTGGLXQVNB-RXMQYKEDSA-N -1 1 383.825 0.646 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001573843394 950172538 /nfs/dbraw/zinc/17/25/38/950172538.db2.gz WTUPPAIQNMOYSH-VXGBXAGGSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001573843394 950172552 /nfs/dbraw/zinc/17/25/52/950172552.db2.gz WTUPPAIQNMOYSH-VXGBXAGGSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(Br)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574982627 950174160 /nfs/dbraw/zinc/17/41/60/950174160.db2.gz FWZBNXXUKZXNKB-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(Br)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574982627 950174172 /nfs/dbraw/zinc/17/41/72/950174172.db2.gz FWZBNXXUKZXNKB-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CNC(=O)C1CC1 ZINC001574154683 950175009 /nfs/dbraw/zinc/17/50/09/950175009.db2.gz GAHVPYQHIIJOEO-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CNC(=O)C1CC1 ZINC001574154683 950175024 /nfs/dbraw/zinc/17/50/24/950175024.db2.gz GAHVPYQHIIJOEO-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575899711 950175372 /nfs/dbraw/zinc/17/53/72/950175372.db2.gz YFYDWEJITWDSPQ-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575899711 950175387 /nfs/dbraw/zinc/17/53/87/950175387.db2.gz YFYDWEJITWDSPQ-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cccn1 ZINC001574155008 950183177 /nfs/dbraw/zinc/18/31/77/950183177.db2.gz HVKNMCNYEOMNAW-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cccn1 ZINC001574155008 950183191 /nfs/dbraw/zinc/18/31/91/950183191.db2.gz HVKNMCNYEOMNAW-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899844 950184056 /nfs/dbraw/zinc/18/40/56/950184056.db2.gz AGZFVBVIXBLRCP-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899844 950184073 /nfs/dbraw/zinc/18/40/73/950184073.db2.gz AGZFVBVIXBLRCP-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccon1 ZINC001574155260 950186980 /nfs/dbraw/zinc/18/69/80/950186980.db2.gz KRVDYXHZPYYGRZ-CYBMUJFWSA-N -1 1 385.432 0.642 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191147 950189134 /nfs/dbraw/zinc/18/91/34/950189134.db2.gz DQALDLNOMQXDRR-VXGBXAGGSA-N -1 1 380.416 0.079 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(Br)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574982960 950190651 /nfs/dbraw/zinc/19/06/51/950190651.db2.gz IQECYNGQMQWVJX-ZETCQYMHSA-N -1 1 392.221 0.400 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CO[C@H]1CCOC1 ZINC001574155507 950197086 /nfs/dbraw/zinc/19/70/86/950197086.db2.gz MLTAOSTVDTUQRQ-OLZOCXBDSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CO[C@H]1CCOC1 ZINC001574155507 950197097 /nfs/dbraw/zinc/19/70/97/950197097.db2.gz MLTAOSTVDTUQRQ-OLZOCXBDSA-N -1 1 390.448 0.405 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191387 950197377 /nfs/dbraw/zinc/19/73/77/950197377.db2.gz FSVFHWHKFXSFSE-WCQYABFASA-N -1 1 380.416 0.079 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cccn1 ZINC001574155534 950197819 /nfs/dbraw/zinc/19/78/19/950197819.db2.gz NDNRHLQWQLMZPR-CYBMUJFWSA-N -1 1 384.448 0.308 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574155634 950203783 /nfs/dbraw/zinc/20/37/83/950203783.db2.gz PIPNMRYTZJXPOM-KBPBESRZSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575900690 950207471 /nfs/dbraw/zinc/20/74/71/950207471.db2.gz HLYZKYKWEOFQDV-GXSJLCMTSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191788 950208407 /nfs/dbraw/zinc/20/84/07/950208407.db2.gz IJAGWQRRIWETKT-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191788 950208426 /nfs/dbraw/zinc/20/84/26/950208426.db2.gz IJAGWQRRIWETKT-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574155694 950208652 /nfs/dbraw/zinc/20/86/52/950208652.db2.gz QJLYVSUXXBKCBE-KBPBESRZSA-N -1 1 388.476 0.981 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573844712 950209485 /nfs/dbraw/zinc/20/94/85/950209485.db2.gz FXNGZXDHXQLFDR-QWHCGFSZSA-N -1 1 388.476 0.384 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191763 950210253 /nfs/dbraw/zinc/21/02/53/950210253.db2.gz IIKNWJNEVKHXFX-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191763 950210274 /nfs/dbraw/zinc/21/02/74/950210274.db2.gz IIKNWJNEVKHXFX-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191900 950213122 /nfs/dbraw/zinc/21/31/22/950213122.db2.gz IXAPLPNCJBKTNY-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191900 950213142 /nfs/dbraw/zinc/21/31/42/950213142.db2.gz IXAPLPNCJBKTNY-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191904 950215593 /nfs/dbraw/zinc/21/55/93/950215593.db2.gz IXAPLPNCJBKTNY-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191904 950215614 /nfs/dbraw/zinc/21/56/14/950215614.db2.gz IXAPLPNCJBKTNY-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192004 950217104 /nfs/dbraw/zinc/21/71/04/950217104.db2.gz JIPSJUFGEGWSDD-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192004 950217122 /nfs/dbraw/zinc/21/71/22/950217122.db2.gz JIPSJUFGEGWSDD-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574155955 950217470 /nfs/dbraw/zinc/21/74/70/950217470.db2.gz SHLIGWVDUQLEQM-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574155955 950217491 /nfs/dbraw/zinc/21/74/91/950217491.db2.gz SHLIGWVDUQLEQM-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574496560 950218901 /nfs/dbraw/zinc/21/89/01/950218901.db2.gz XKZYMEPLSGLSJT-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574496560 950218922 /nfs/dbraw/zinc/21/89/22/950218922.db2.gz XKZYMEPLSGLSJT-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192132 950229872 /nfs/dbraw/zinc/22/98/72/950229872.db2.gz JYCZRFSCTJUXGT-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192132 950229893 /nfs/dbraw/zinc/22/98/93/950229893.db2.gz JYCZRFSCTJUXGT-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CO[C@H]1CCOC1 ZINC001574157546 950240720 /nfs/dbraw/zinc/24/07/20/950240720.db2.gz CRDXVWVOSZPMCV-OLZOCXBDSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CO[C@H]1CCOC1 ZINC001574157546 950240738 /nfs/dbraw/zinc/24/07/38/950240738.db2.gz CRDXVWVOSZPMCV-OLZOCXBDSA-N -1 1 390.448 0.405 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192405 950241487 /nfs/dbraw/zinc/24/14/87/950241487.db2.gz MNRDLDCSELEAEG-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192405 950241509 /nfs/dbraw/zinc/24/15/09/950241509.db2.gz MNRDLDCSELEAEG-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574157708 950251874 /nfs/dbraw/zinc/25/18/74/950251874.db2.gz HCUJCJOLTSJPIK-VWYCJHECSA-N -1 1 380.403 0.923 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575902447 950257651 /nfs/dbraw/zinc/25/76/51/950257651.db2.gz UYTZDYJDDKSFKS-IUCAKERBSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575902447 950257671 /nfs/dbraw/zinc/25/76/71/950257671.db2.gz UYTZDYJDDKSFKS-IUCAKERBSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H](CC(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CC1 ZINC001574498138 950260062 /nfs/dbraw/zinc/26/00/62/950260062.db2.gz KIRZZUBAWPLGHM-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CC1 ZINC001574498138 950260080 /nfs/dbraw/zinc/26/00/80/950260080.db2.gz KIRZZUBAWPLGHM-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192805 950268783 /nfs/dbraw/zinc/26/87/83/950268783.db2.gz PFBKONLZIOHFIG-YPMHNXCESA-N -1 1 380.416 0.079 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574742145 950269368 /nfs/dbraw/zinc/26/93/68/950269368.db2.gz MKMSZDOJELKDGH-QMMMGPOBSA-N -1 1 376.812 0.038 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1F ZINC001574158316 950277955 /nfs/dbraw/zinc/27/79/55/950277955.db2.gz QTIBCXIAIWMFBG-LLVKDONJSA-N -1 1 385.407 0.869 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574158545 950285031 /nfs/dbraw/zinc/28/50/31/950285031.db2.gz CHHJAYHHWUTEJE-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574158545 950285049 /nfs/dbraw/zinc/28/50/49/950285049.db2.gz CHHJAYHHWUTEJE-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCC(F)(F)CC1 ZINC001575592622 950291873 /nfs/dbraw/zinc/29/18/73/950291873.db2.gz HTTRQXQGLBJHFL-UHFFFAOYSA-N -1 1 383.359 0.461 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccncc1F ZINC001574159252 950296756 /nfs/dbraw/zinc/29/67/56/950296756.db2.gz UWEBUXYDEKZGQT-LLVKDONJSA-N -1 1 385.407 0.869 20 0 GCADMM C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193504 950300420 /nfs/dbraw/zinc/30/04/20/950300420.db2.gz VODMDJXENMKLKH-POQQGIQPSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193504 950300439 /nfs/dbraw/zinc/30/04/39/950300439.db2.gz VODMDJXENMKLKH-POQQGIQPSA-N -1 1 384.444 0.446 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573852109 950300735 /nfs/dbraw/zinc/30/07/35/950300735.db2.gz DEXHRODTRBSODE-UHFFFAOYSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573852109 950300755 /nfs/dbraw/zinc/30/07/55/950300755.db2.gz DEXHRODTRBSODE-UHFFFAOYSA-N -1 1 390.448 0.855 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccncc1 ZINC001574499477 950303230 /nfs/dbraw/zinc/30/32/30/950303230.db2.gz WIDXPMMHCQWNQX-GFCCVEGCSA-N -1 1 379.428 0.728 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1OCCCO1 ZINC001574159271 950303635 /nfs/dbraw/zinc/30/36/35/950303635.db2.gz VLPYTCZKYFZVNN-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1OCCCO1 ZINC001574159271 950303652 /nfs/dbraw/zinc/30/36/52/950303652.db2.gz VLPYTCZKYFZVNN-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573852350 950303938 /nfs/dbraw/zinc/30/39/38/950303938.db2.gz FRFVHBPEIHKJBZ-VXJOIVPMSA-N -1 1 378.393 0.289 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573852350 950303955 /nfs/dbraw/zinc/30/39/55/950303955.db2.gz FRFVHBPEIHKJBZ-VXJOIVPMSA-N -1 1 378.393 0.289 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193658 950304423 /nfs/dbraw/zinc/30/44/23/950304423.db2.gz VZZBTRFCHAFZBF-TZMCWYRMSA-N -1 1 379.428 0.684 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cnn(C)c1 ZINC001574159391 950305765 /nfs/dbraw/zinc/30/57/65/950305765.db2.gz GZZWHVJOTQJQNT-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cnn(C)c1 ZINC001574159391 950305789 /nfs/dbraw/zinc/30/57/89/950305789.db2.gz GZZWHVJOTQJQNT-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001573852660 950306810 /nfs/dbraw/zinc/30/68/10/950306810.db2.gz IKUDLUUISYDUIS-UHFFFAOYSA-N -1 1 392.416 0.952 20 0 GCADMM CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573852660 950306827 /nfs/dbraw/zinc/30/68/27/950306827.db2.gz IKUDLUUISYDUIS-UHFFFAOYSA-N -1 1 392.416 0.952 20 0 GCADMM C[C@]1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575593211 950307046 /nfs/dbraw/zinc/30/70/46/950307046.db2.gz MUCMZFDPBTWXPO-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575593170 950307286 /nfs/dbraw/zinc/30/72/86/950307286.db2.gz MBETXMFVZRVYPA-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575593170 950307308 /nfs/dbraw/zinc/30/73/08/950307308.db2.gz MBETXMFVZRVYPA-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574499958 950308100 /nfs/dbraw/zinc/30/81/00/950308100.db2.gz XPWODZTXXMYQAK-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574499958 950308120 /nfs/dbraw/zinc/30/81/20/950308120.db2.gz XPWODZTXXMYQAK-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@]1(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575593207 950309545 /nfs/dbraw/zinc/30/95/45/950309545.db2.gz MUCMZFDPBTWXPO-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001573852703 950313177 /nfs/dbraw/zinc/31/31/77/950313177.db2.gz IQYDTLMGPMFEJJ-UHFFFAOYSA-N -1 1 392.416 0.952 20 0 GCADMM CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001573852703 950313194 /nfs/dbraw/zinc/31/31/94/950313194.db2.gz IQYDTLMGPMFEJJ-UHFFFAOYSA-N -1 1 392.416 0.952 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193900 950315412 /nfs/dbraw/zinc/31/54/12/950315412.db2.gz VWLYUEGFUIHRIJ-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193900 950315436 /nfs/dbraw/zinc/31/54/36/950315436.db2.gz VWLYUEGFUIHRIJ-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001573853163 950316604 /nfs/dbraw/zinc/31/66/04/950316604.db2.gz MLKXGEWTWYLVNY-INIZCTEOSA-N -1 1 378.389 0.561 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573853163 950316632 /nfs/dbraw/zinc/31/66/32/950316632.db2.gz MLKXGEWTWYLVNY-INIZCTEOSA-N -1 1 378.389 0.561 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193902 950317053 /nfs/dbraw/zinc/31/70/53/950317053.db2.gz VWLYUEGFUIHRIJ-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193902 950317073 /nfs/dbraw/zinc/31/70/73/950317073.db2.gz VWLYUEGFUIHRIJ-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)=NO2 ZINC001573853142 950317846 /nfs/dbraw/zinc/31/78/46/950317846.db2.gz LZJGCXAAKAHLMR-UHFFFAOYSA-N -1 1 389.376 0.294 20 0 GCADMM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)=NO2 ZINC001573853142 950317867 /nfs/dbraw/zinc/31/78/67/950317867.db2.gz LZJGCXAAKAHLMR-UHFFFAOYSA-N -1 1 389.376 0.294 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1ccnc1 ZINC001574159799 950320091 /nfs/dbraw/zinc/32/00/91/950320091.db2.gz JEXUMFBUWFVESO-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1ccnc1 ZINC001574159799 950320113 /nfs/dbraw/zinc/32/01/13/950320113.db2.gz JEXUMFBUWFVESO-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193952 950323690 /nfs/dbraw/zinc/32/36/90/950323690.db2.gz WSQYQMWZTYIDQC-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193952 950323715 /nfs/dbraw/zinc/32/37/15/950323715.db2.gz WSQYQMWZTYIDQC-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc[nH]c1=O ZINC001574159935 950328212 /nfs/dbraw/zinc/32/82/12/950328212.db2.gz ZXSVKGIOFUKWEQ-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194202 950331706 /nfs/dbraw/zinc/33/17/06/950331706.db2.gz XNESJFWCULYEDT-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194202 950331727 /nfs/dbraw/zinc/33/17/27/950331727.db2.gz XNESJFWCULYEDT-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194233 950333441 /nfs/dbraw/zinc/33/34/41/950333441.db2.gz XXWKNNKNXHBZMI-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194233 950333463 /nfs/dbraw/zinc/33/34/63/950333463.db2.gz XXWKNNKNXHBZMI-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C1CC1 ZINC001574501649 950338852 /nfs/dbraw/zinc/33/88/52/950338852.db2.gz FTKVLLYWHXNLCS-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C1CC1 ZINC001574501649 950338875 /nfs/dbraw/zinc/33/88/75/950338875.db2.gz FTKVLLYWHXNLCS-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194470 950344658 /nfs/dbraw/zinc/34/46/58/950344658.db2.gz ZCXWMSMNQPWQKA-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194470 950344678 /nfs/dbraw/zinc/34/46/78/950344678.db2.gz ZCXWMSMNQPWQKA-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574501895 950344888 /nfs/dbraw/zinc/34/48/88/950344888.db2.gz HEIBWJCTEGFIMT-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574501895 950344908 /nfs/dbraw/zinc/34/49/08/950344908.db2.gz HEIBWJCTEGFIMT-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575595027 950348676 /nfs/dbraw/zinc/34/86/76/950348676.db2.gz XAPFTEUUZYLTQO-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575595027 950348696 /nfs/dbraw/zinc/34/86/96/950348696.db2.gz XAPFTEUUZYLTQO-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CN1CCCC1=O ZINC001574161548 950362606 /nfs/dbraw/zinc/36/26/06/950362606.db2.gz VXROKULDMKEHCS-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CN1CCCC1=O ZINC001574161548 950362624 /nfs/dbraw/zinc/36/26/24/950362624.db2.gz VXROKULDMKEHCS-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574161532 950365594 /nfs/dbraw/zinc/36/55/94/950365594.db2.gz VSKHBFZLYRFEMW-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574161532 950365615 /nfs/dbraw/zinc/36/56/15/950365615.db2.gz VSKHBFZLYRFEMW-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC1(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575595998 950366995 /nfs/dbraw/zinc/36/69/95/950366995.db2.gz RHSWRTQCUGPSPM-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574162425 950380557 /nfs/dbraw/zinc/38/05/57/950380557.db2.gz ADYMGMQIZUXVMW-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574162425 950380573 /nfs/dbraw/zinc/38/05/73/950380573.db2.gz ADYMGMQIZUXVMW-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574745386 950382655 /nfs/dbraw/zinc/38/26/55/950382655.db2.gz IZFOLGLJCSSBQQ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574745386 950382673 /nfs/dbraw/zinc/38/26/73/950382673.db2.gz IZFOLGLJCSSBQQ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574502509 950387394 /nfs/dbraw/zinc/38/73/94/950387394.db2.gz ONGYZDGAVDDCJD-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574502509 950387415 /nfs/dbraw/zinc/38/74/15/950387415.db2.gz ONGYZDGAVDDCJD-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001573856748 950395039 /nfs/dbraw/zinc/39/50/39/950395039.db2.gz HJPWGBJDKQMKCC-NSHDSACASA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001573856748 950395063 /nfs/dbraw/zinc/39/50/63/950395063.db2.gz HJPWGBJDKQMKCC-NSHDSACASA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573856754 950396705 /nfs/dbraw/zinc/39/67/05/950396705.db2.gz HTLJHCALZMJHJX-SNVBAGLBSA-N -1 1 386.376 0.743 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574162710 950399165 /nfs/dbraw/zinc/39/91/65/950399165.db2.gz HJZQRYYCIUTRMQ-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574162710 950399195 /nfs/dbraw/zinc/39/91/95/950399195.db2.gz HJZQRYYCIUTRMQ-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574746805 950400744 /nfs/dbraw/zinc/40/07/44/950400744.db2.gz PKQFOTICZJNHJU-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574746805 950400758 /nfs/dbraw/zinc/40/07/58/950400758.db2.gz PKQFOTICZJNHJU-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574162713 950401375 /nfs/dbraw/zinc/40/13/75/950401375.db2.gz HJZQRYYCIUTRMQ-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574162713 950401383 /nfs/dbraw/zinc/40/13/83/950401383.db2.gz HJZQRYYCIUTRMQ-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574746812 950402106 /nfs/dbraw/zinc/40/21/06/950402106.db2.gz PSNCNQGZJHOELJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574746812 950402120 /nfs/dbraw/zinc/40/21/20/950402120.db2.gz PSNCNQGZJHOELJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)C2 ZINC001573857679 950406981 /nfs/dbraw/zinc/40/69/81/950406981.db2.gz WOESNEWMORWSII-MXWKQRLJSA-N -1 1 389.420 0.115 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573860349 950421574 /nfs/dbraw/zinc/42/15/74/950421574.db2.gz GXHCKOBEIZLLTN-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573860349 950421589 /nfs/dbraw/zinc/42/15/89/950421589.db2.gz GXHCKOBEIZLLTN-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574747844 950421741 /nfs/dbraw/zinc/42/17/41/950421741.db2.gz YWEUBHXSNCRYCI-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574747844 950421758 /nfs/dbraw/zinc/42/17/58/950421758.db2.gz YWEUBHXSNCRYCI-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM CC(C)(C)OC(=O)NC1CC(CC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001573860325 950422765 /nfs/dbraw/zinc/42/27/65/950422765.db2.gz GCAFHLGUFJOOQZ-UHFFFAOYSA-N -1 1 391.436 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001574163368 950422873 /nfs/dbraw/zinc/42/28/73/950422873.db2.gz SQADDXHJCZCEQG-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001574163368 950422881 /nfs/dbraw/zinc/42/28/81/950422881.db2.gz SQADDXHJCZCEQG-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910721 950429969 /nfs/dbraw/zinc/42/99/69/950429969.db2.gz BGYZRAQZJXQRNY-JOYOIKCWSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910721 950429978 /nfs/dbraw/zinc/42/99/78/950429978.db2.gz BGYZRAQZJXQRNY-JOYOIKCWSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574163740 950432870 /nfs/dbraw/zinc/43/28/70/950432870.db2.gz XEFQAOOHYYRSLQ-NWDGAFQWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574163740 950432879 /nfs/dbraw/zinc/43/28/79/950432879.db2.gz XEFQAOOHYYRSLQ-NWDGAFQWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)CC(N)=O ZINC001574163581 950433033 /nfs/dbraw/zinc/43/30/33/950433033.db2.gz WJYIMPTUBQHBRG-QWRGUYRKSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)CC(N)=O ZINC001574163581 950433042 /nfs/dbraw/zinc/43/30/42/950433042.db2.gz WJYIMPTUBQHBRG-QWRGUYRKSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001573860939 950433040 /nfs/dbraw/zinc/43/30/40/950433040.db2.gz NQTVLDDNPWECJY-KRWDZBQOSA-N -1 1 392.416 0.952 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573860939 950433053 /nfs/dbraw/zinc/43/30/53/950433053.db2.gz NQTVLDDNPWECJY-KRWDZBQOSA-N -1 1 392.416 0.952 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574750689 950438352 /nfs/dbraw/zinc/43/83/52/950438352.db2.gz FZBQBGCTZQITKQ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574750689 950438358 /nfs/dbraw/zinc/43/83/58/950438358.db2.gz FZBQBGCTZQITKQ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574163863 950442358 /nfs/dbraw/zinc/44/23/58/950442358.db2.gz ZRJONQTUKKRKJT-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574163863 950442371 /nfs/dbraw/zinc/44/23/71/950442371.db2.gz ZRJONQTUKKRKJT-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001573861326 950446829 /nfs/dbraw/zinc/44/68/29/950446829.db2.gz YOXMEWSDDSGHLN-ABKXIKBNSA-N -1 1 392.420 0.748 20 0 GCADMM CCN(CC)CCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC001589724791 950447638 /nfs/dbraw/zinc/44/76/38/950447638.db2.gz MATNJHHCMKVAMA-LBPRGKRZSA-N -1 1 384.458 0.146 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574750974 950447870 /nfs/dbraw/zinc/44/78/70/950447870.db2.gz JSBDCONUKDGGMS-LLVKDONJSA-N -1 1 382.432 0.184 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575911909 950454911 /nfs/dbraw/zinc/45/49/11/950454911.db2.gz FSLIAIBPLQADHK-MFKMUULPSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575911909 950454922 /nfs/dbraw/zinc/45/49/22/950454922.db2.gz FSLIAIBPLQADHK-MFKMUULPSA-N -1 1 383.391 0.835 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001573861641 950455125 /nfs/dbraw/zinc/45/51/25/950455125.db2.gz GHRTURBOLPOPPA-LLVKDONJSA-N -1 1 391.436 0.222 20 0 GCADMM C[C@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(=O)c1ccccc1 ZINC001574507591 950458078 /nfs/dbraw/zinc/45/80/78/950458078.db2.gz FZWMCWUTLNKJGF-LLVKDONJSA-N -1 1 397.395 0.154 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)CCCCCC1 ZINC001575605343 950459446 /nfs/dbraw/zinc/45/94/46/950459446.db2.gz MJFPPXZSIRDJMI-ZIAGYGMSSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)CCCCCC1 ZINC001575605343 950459458 /nfs/dbraw/zinc/45/94/58/950459458.db2.gz MJFPPXZSIRDJMI-ZIAGYGMSSA-N -1 1 386.460 0.683 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001573862239 950461975 /nfs/dbraw/zinc/46/19/75/950461975.db2.gz QIMBKGPCMPYGGB-WDEREUQCSA-N -1 1 376.421 0.332 20 0 GCADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575605457 950463379 /nfs/dbraw/zinc/46/33/79/950463379.db2.gz OPDKISSATBHZHD-BZPMIXESSA-N -1 1 384.444 0.699 20 0 GCADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575605457 950463390 /nfs/dbraw/zinc/46/33/90/950463390.db2.gz OPDKISSATBHZHD-BZPMIXESSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cncn1C ZINC001575912570 950464661 /nfs/dbraw/zinc/46/46/61/950464661.db2.gz HHCKWNNXAJROPM-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574508001 950469578 /nfs/dbraw/zinc/46/95/78/950469578.db2.gz LIOMZQMNMUIKSI-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574508001 950469594 /nfs/dbraw/zinc/46/95/94/950469594.db2.gz LIOMZQMNMUIKSI-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC001574508192 950472902 /nfs/dbraw/zinc/47/29/02/950472902.db2.gz KISHPDCTRXYRTE-SNVBAGLBSA-N -1 1 387.375 0.578 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575913143 950477594 /nfs/dbraw/zinc/47/75/94/950477594.db2.gz IUYMULSETHVJPS-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575913143 950477611 /nfs/dbraw/zinc/47/76/11/950477611.db2.gz IUYMULSETHVJPS-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C)OC1CCC(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001573863438 950480098 /nfs/dbraw/zinc/48/00/98/950480098.db2.gz ILOZTWJQYJFASH-UHFFFAOYSA-N -1 1 391.432 0.372 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]2O)CCC1 ZINC001575605881 950485436 /nfs/dbraw/zinc/48/54/36/950485436.db2.gz YNWHNBBESDMYLX-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752550 950490913 /nfs/dbraw/zinc/49/09/13/950490913.db2.gz XVMAVSARXAARSU-LLVKDONJSA-N -1 1 382.432 0.112 20 0 GCADMM CC(C)(C)OC1CC(CCNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573863984 950493665 /nfs/dbraw/zinc/49/36/65/950493665.db2.gz VTHKPWDQTYTHKY-UHFFFAOYSA-N -1 1 391.432 0.229 20 0 GCADMM CC(C)C[C@@H]1C[C@@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574167803 950494152 /nfs/dbraw/zinc/49/41/52/950494152.db2.gz JRVKTFMMSUTODK-NWDGAFQWSA-N -1 1 391.432 0.229 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574995266 950500662 /nfs/dbraw/zinc/50/06/62/950500662.db2.gz CUCYIUQOZATPGG-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574995266 950500679 /nfs/dbraw/zinc/50/06/79/950500679.db2.gz CUCYIUQOZATPGG-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CCC1 ZINC001574168145 950507732 /nfs/dbraw/zinc/50/77/32/950507732.db2.gz QBZKTKHABAWSSR-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CCC1 ZINC001574168145 950507746 /nfs/dbraw/zinc/50/77/46/950507746.db2.gz QBZKTKHABAWSSR-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H](CC(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574509347 950510605 /nfs/dbraw/zinc/51/06/05/950510605.db2.gz RGYMDWAQCMBIHJ-NEPJUHHUSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@H](CC(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574509347 950510621 /nfs/dbraw/zinc/51/06/21/950510621.db2.gz RGYMDWAQCMBIHJ-NEPJUHHUSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@@H](CCNC(=O)C[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574509348 950512542 /nfs/dbraw/zinc/51/25/42/950512542.db2.gz RGYMDWAQCMBIHJ-RYUDHWBXSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@@H](CCNC(=O)C[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574509348 950512560 /nfs/dbraw/zinc/51/25/60/950512560.db2.gz RGYMDWAQCMBIHJ-RYUDHWBXSA-N -1 1 384.448 0.891 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866921 950516064 /nfs/dbraw/zinc/51/60/64/950516064.db2.gz NSILMCTZIXEAJH-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866921 950516086 /nfs/dbraw/zinc/51/60/86/950516086.db2.gz NSILMCTZIXEAJH-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](CC(=O)N[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(N)=O ZINC001574509503 950516026 /nfs/dbraw/zinc/51/60/26/950516026.db2.gz VYYONNQOOZPUEP-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574996008 950519994 /nfs/dbraw/zinc/51/99/94/950519994.db2.gz JOLOJPQLBAMMQQ-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574996008 950520012 /nfs/dbraw/zinc/52/00/12/950520012.db2.gz JOLOJPQLBAMMQQ-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573867076 950520461 /nfs/dbraw/zinc/52/04/61/950520461.db2.gz OZFZUQZHNVFRAJ-TZMCWYRMSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573867076 950520476 /nfs/dbraw/zinc/52/04/76/950520476.db2.gz OZFZUQZHNVFRAJ-TZMCWYRMSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573867144 950523442 /nfs/dbraw/zinc/52/34/42/950523442.db2.gz QNCXSXBAMDDSIX-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573867144 950523468 /nfs/dbraw/zinc/52/34/68/950523468.db2.gz QNCXSXBAMDDSIX-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CCC(=O)N1CCC(N(CCO)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574169560 950524211 /nfs/dbraw/zinc/52/42/11/950524211.db2.gz ATBLBKFTWZWNBA-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC(N(CCO)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574169560 950524227 /nfs/dbraw/zinc/52/42/27/950524227.db2.gz ATBLBKFTWZWNBA-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753435 950526026 /nfs/dbraw/zinc/52/60/26/950526026.db2.gz NKTNKIRXKVPJOE-NSHDSACASA-N -1 1 380.412 0.681 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574996650 950530528 /nfs/dbraw/zinc/53/05/28/950530528.db2.gz NRBYTRXPPQTVFL-JTQLQIEISA-N -1 1 392.379 0.994 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574996650 950530550 /nfs/dbraw/zinc/53/05/50/950530550.db2.gz NRBYTRXPPQTVFL-JTQLQIEISA-N -1 1 392.379 0.994 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574996651 950530796 /nfs/dbraw/zinc/53/07/96/950530796.db2.gz NRBYTRXPPQTVFL-SNVBAGLBSA-N -1 1 392.379 0.994 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574996651 950530821 /nfs/dbraw/zinc/53/08/21/950530821.db2.gz NRBYTRXPPQTVFL-SNVBAGLBSA-N -1 1 392.379 0.994 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)[C@H]1CCCO1 ZINC001574510043 950541349 /nfs/dbraw/zinc/54/13/49/950541349.db2.gz YTLUKOQLNYULFR-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)[C@H]1CCCO1 ZINC001574510043 950541372 /nfs/dbraw/zinc/54/13/72/950541372.db2.gz YTLUKOQLNYULFR-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1ccco1 ZINC001574510863 950543978 /nfs/dbraw/zinc/54/39/78/950543978.db2.gz BUNBJQOFLWKSHM-RAIGVLPGSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1ccco1 ZINC001574510863 950543997 /nfs/dbraw/zinc/54/39/97/950543997.db2.gz BUNBJQOFLWKSHM-RAIGVLPGSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1ccco1 ZINC001574510862 950544937 /nfs/dbraw/zinc/54/49/37/950544937.db2.gz BUNBJQOFLWKSHM-CYZMBNFOSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1ccco1 ZINC001574510862 950544958 /nfs/dbraw/zinc/54/49/58/950544958.db2.gz BUNBJQOFLWKSHM-CYZMBNFOSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753843 950545475 /nfs/dbraw/zinc/54/54/75/950545475.db2.gz UFJXETQFRKTRNG-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753843 950545492 /nfs/dbraw/zinc/54/54/92/950545492.db2.gz UFJXETQFRKTRNG-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccco1 ZINC001574511064 950551298 /nfs/dbraw/zinc/55/12/98/950551298.db2.gz FNOFTSFVEVOVCC-RAIGVLPGSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccco1 ZINC001574511064 950551313 /nfs/dbraw/zinc/55/13/13/950551313.db2.gz FNOFTSFVEVOVCC-RAIGVLPGSA-N -1 1 384.400 0.109 20 0 GCADMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573868901 950552183 /nfs/dbraw/zinc/55/21/83/950552183.db2.gz HSBNGKPOIITPMA-UHFFFAOYSA-N -1 1 375.433 0.588 20 0 GCADMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573868901 950552202 /nfs/dbraw/zinc/55/22/02/950552202.db2.gz HSBNGKPOIITPMA-UHFFFAOYSA-N -1 1 375.433 0.588 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccco1 ZINC001574511077 950552472 /nfs/dbraw/zinc/55/24/72/950552472.db2.gz FTDYRNTXFKAZHS-UHTWSYAYSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccco1 ZINC001574511077 950552481 /nfs/dbraw/zinc/55/24/81/950552481.db2.gz FTDYRNTXFKAZHS-UHTWSYAYSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575917006 950553269 /nfs/dbraw/zinc/55/32/69/950553269.db2.gz UIGDGMZOQHRWPT-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575917006 950553279 /nfs/dbraw/zinc/55/32/79/950553279.db2.gz UIGDGMZOQHRWPT-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574754060 950560075 /nfs/dbraw/zinc/56/00/75/950560075.db2.gz WSCRXLXLZXRPNX-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574754060 950560091 /nfs/dbraw/zinc/56/00/91/950560091.db2.gz WSCRXLXLZXRPNX-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001573869250 950561963 /nfs/dbraw/zinc/56/19/63/950561963.db2.gz MTTFFXNEMUDHAH-XIKOKIGWSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573869250 950561979 /nfs/dbraw/zinc/56/19/79/950561979.db2.gz MTTFFXNEMUDHAH-XIKOKIGWSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1ccco1 ZINC001574511635 950565176 /nfs/dbraw/zinc/56/51/76/950565176.db2.gz PJXVBASIQJSQAI-TUAOUCFPSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1ccco1 ZINC001574511635 950565195 /nfs/dbraw/zinc/56/51/95/950565195.db2.gz PJXVBASIQJSQAI-TUAOUCFPSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574998849 950565723 /nfs/dbraw/zinc/56/57/23/950565723.db2.gz BMBQHBZAGLMNCS-VIFPVBQESA-N -1 1 375.824 0.549 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccco1 ZINC001574511692 950569374 /nfs/dbraw/zinc/56/93/74/950569374.db2.gz QITKCJYCNYBTPU-TUAOUCFPSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccco1 ZINC001574511693 950571161 /nfs/dbraw/zinc/57/11/61/950571161.db2.gz QITKCJYCNYBTPU-UTUOFQBUSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccn1 ZINC001574511909 950573925 /nfs/dbraw/zinc/57/39/25/950573925.db2.gz VXHNOAKIDAHZFM-JHJVBQTASA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccn1 ZINC001574511909 950573960 /nfs/dbraw/zinc/57/39/60/950573960.db2.gz VXHNOAKIDAHZFM-JHJVBQTASA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnccn1 ZINC001575917557 950580339 /nfs/dbraw/zinc/58/03/39/950580339.db2.gz ZCDPATYLRXTHAO-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnccn1 ZINC001575917557 950580348 /nfs/dbraw/zinc/58/03/48/950580348.db2.gz ZCDPATYLRXTHAO-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999505 950583533 /nfs/dbraw/zinc/58/35/33/950583533.db2.gz KUMPLSIUNQIROD-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574999505 950583545 /nfs/dbraw/zinc/58/35/45/950583545.db2.gz KUMPLSIUNQIROD-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)C1(C)C ZINC001575616454 950584479 /nfs/dbraw/zinc/58/44/79/950584479.db2.gz PPXZJIFZVKCUGQ-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)C1(C)C ZINC001575616454 950584491 /nfs/dbraw/zinc/58/44/91/950584491.db2.gz PPXZJIFZVKCUGQ-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574999516 950585088 /nfs/dbraw/zinc/58/50/88/950585088.db2.gz LDOXAOIHPMUHCA-MRVPVSSYSA-N -1 1 390.358 0.639 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574999516 950585103 /nfs/dbraw/zinc/58/51/03/950585103.db2.gz LDOXAOIHPMUHCA-MRVPVSSYSA-N -1 1 390.358 0.639 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999675 950586329 /nfs/dbraw/zinc/58/63/29/950586329.db2.gz LKKNKWNTAARHSL-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574999675 950586343 /nfs/dbraw/zinc/58/63/43/950586343.db2.gz LKKNKWNTAARHSL-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001573870165 950586919 /nfs/dbraw/zinc/58/69/19/950586919.db2.gz FRIWQLNRBSPDOR-LBPRGKRZSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001573870165 950586935 /nfs/dbraw/zinc/58/69/35/950586935.db2.gz FRIWQLNRBSPDOR-LBPRGKRZSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573870361 950590380 /nfs/dbraw/zinc/59/03/80/950590380.db2.gz VMRDTCTZQVIKDZ-NWDGAFQWSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574999750 950590417 /nfs/dbraw/zinc/59/04/17/950590417.db2.gz MVFBMTUVSNUNQD-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574999750 950590435 /nfs/dbraw/zinc/59/04/35/950590435.db2.gz MVFBMTUVSNUNQD-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COC1CCCCC1 ZINC001575918426 950592617 /nfs/dbraw/zinc/59/26/17/950592617.db2.gz BUQUSNLXTWAIHA-TZMCWYRMSA-N -1 1 386.460 0.829 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001574173160 950593643 /nfs/dbraw/zinc/59/36/43/950593643.db2.gz GOICJWNCGWVHJH-AWEZNQCLSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001574173160 950593662 /nfs/dbraw/zinc/59/36/62/950593662.db2.gz GOICJWNCGWVHJH-AWEZNQCLSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000076 950595662 /nfs/dbraw/zinc/59/56/62/950595662.db2.gz OUHAZMYWWZPUFQ-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000076 950595681 /nfs/dbraw/zinc/59/56/81/950595681.db2.gz OUHAZMYWWZPUFQ-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575918785 950599845 /nfs/dbraw/zinc/59/98/45/950599845.db2.gz FBSZAMSPJVIWCH-WPRPVWTQSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575918785 950599861 /nfs/dbraw/zinc/59/98/61/950599861.db2.gz FBSZAMSPJVIWCH-WPRPVWTQSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575000205 950600506 /nfs/dbraw/zinc/60/05/06/950600506.db2.gz PRJMGELTUWYLEF-QMMMGPOBSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575000205 950600522 /nfs/dbraw/zinc/60/05/22/950600522.db2.gz PRJMGELTUWYLEF-QMMMGPOBSA-N -1 1 390.358 0.862 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)C1(C)C ZINC001575617452 950604668 /nfs/dbraw/zinc/60/46/68/950604668.db2.gz BUOHFHSDAPNJEI-GHMZBOCLSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)C1(C)C ZINC001575617452 950604697 /nfs/dbraw/zinc/60/46/97/950604697.db2.gz BUOHFHSDAPNJEI-GHMZBOCLSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000637 950607899 /nfs/dbraw/zinc/60/78/99/950607899.db2.gz RFEPJWIUILAFSC-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000637 950607915 /nfs/dbraw/zinc/60/79/15/950607915.db2.gz RFEPJWIUILAFSC-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575919335 950610902 /nfs/dbraw/zinc/61/09/02/950610902.db2.gz GRARTDMKVYQHPR-QWRGUYRKSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575919335 950610911 /nfs/dbraw/zinc/61/09/11/950610911.db2.gz GRARTDMKVYQHPR-QWRGUYRKSA-N -1 1 380.416 0.515 20 0 GCADMM CC1(C)C(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575618594 950611743 /nfs/dbraw/zinc/61/17/43/950611743.db2.gz KTPAUOCYPKBQOQ-SFHVURJKSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575618594 950611754 /nfs/dbraw/zinc/61/17/54/950611754.db2.gz KTPAUOCYPKBQOQ-SFHVURJKSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575919408 950614499 /nfs/dbraw/zinc/61/44/99/950614499.db2.gz HTHBJGIOLGFVTK-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575919408 950614514 /nfs/dbraw/zinc/61/45/14/950614514.db2.gz HTHBJGIOLGFVTK-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575001099 950617336 /nfs/dbraw/zinc/61/73/36/950617336.db2.gz SMVFTSJWKWYQSA-SECBINFHSA-N -1 1 375.824 0.903 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575001099 950617355 /nfs/dbraw/zinc/61/73/55/950617355.db2.gz SMVFTSJWKWYQSA-SECBINFHSA-N -1 1 375.824 0.903 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573871439 950618548 /nfs/dbraw/zinc/61/85/48/950618548.db2.gz QAVITTFCXKVXHU-SSDOTTSWSA-N -1 1 389.869 0.681 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573871439 950618567 /nfs/dbraw/zinc/61/85/67/950618567.db2.gz QAVITTFCXKVXHU-SSDOTTSWSA-N -1 1 389.869 0.681 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001575001121 950623578 /nfs/dbraw/zinc/62/35/78/950623578.db2.gz SRZGQDZBKMIGJE-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001575001121 950623589 /nfs/dbraw/zinc/62/35/89/950623589.db2.gz SRZGQDZBKMIGJE-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759044 950625548 /nfs/dbraw/zinc/62/55/48/950625548.db2.gz JXTGUBZCLAIUDO-LLVKDONJSA-N -1 1 384.448 0.603 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)n1cccn1 ZINC001574515138 950625664 /nfs/dbraw/zinc/62/56/64/950625664.db2.gz AEJSJPSAEJKOSA-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)n1cccn1 ZINC001574515138 950625676 /nfs/dbraw/zinc/62/56/76/950625676.db2.gz AEJSJPSAEJKOSA-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573871829 950626319 /nfs/dbraw/zinc/62/63/19/950626319.db2.gz XKDNEBDDCHXVSS-QGZVFWFLSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573871829 950626335 /nfs/dbraw/zinc/62/63/35/950626335.db2.gz XKDNEBDDCHXVSS-QGZVFWFLSA-N -1 1 390.448 0.183 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574759040 950626653 /nfs/dbraw/zinc/62/66/53/950626653.db2.gz JVDUCGYEWVOZKF-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574759040 950626669 /nfs/dbraw/zinc/62/66/69/950626669.db2.gz JVDUCGYEWVOZKF-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575920241 950627163 /nfs/dbraw/zinc/62/71/63/950627163.db2.gz LQIJSRAZLNREIO-IAQYHMDHSA-N -1 1 392.423 0.824 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575920243 950629185 /nfs/dbraw/zinc/62/91/85/950629185.db2.gz LQIJSRAZLNREIO-XHDPSFHLSA-N -1 1 392.423 0.824 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001573871943 950630418 /nfs/dbraw/zinc/63/04/18/950630418.db2.gz XYQOBQVHRWUYTD-KRWDZBQOSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001573871943 950630429 /nfs/dbraw/zinc/63/04/29/950630429.db2.gz XYQOBQVHRWUYTD-KRWDZBQOSA-N -1 1 390.448 0.183 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2nc[nH]c21 ZINC001575921390 950637398 /nfs/dbraw/zinc/63/73/98/950637398.db2.gz NRYJWFGEZSQBKT-JQWIXIFHSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574516951 950637661 /nfs/dbraw/zinc/63/76/61/950637661.db2.gz JDDBSGLFNKVVNO-IHRRRGAJSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575921616 950639349 /nfs/dbraw/zinc/63/93/49/950639349.db2.gz OCABZDSSYYAHFR-FZMZJTMJSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575921613 950641856 /nfs/dbraw/zinc/64/18/56/950641856.db2.gz OCABZDSSYYAHFR-BXUZGUMPSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001575922509 950644161 /nfs/dbraw/zinc/64/41/61/950644161.db2.gz PPWMFIYOVSXKNR-JQWIXIFHSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@@H]1CCCO1 ZINC001574517735 950644229 /nfs/dbraw/zinc/64/42/29/950644229.db2.gz LUPQGUYTJJXAOC-IZURVTBUSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@@H]1CCCO1 ZINC001574517735 950644247 /nfs/dbraw/zinc/64/42/47/950644247.db2.gz LUPQGUYTJJXAOC-IZURVTBUSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc2[nH]cnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759994 950652141 /nfs/dbraw/zinc/65/21/41/950652141.db2.gz ROMWZVDKAIDSCO-SECBINFHSA-N -1 1 379.388 0.501 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc2[nH]cnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759994 950652163 /nfs/dbraw/zinc/65/21/63/950652163.db2.gz ROMWZVDKAIDSCO-SECBINFHSA-N -1 1 379.388 0.501 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc2[nH]cnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759995 950652662 /nfs/dbraw/zinc/65/26/62/950652662.db2.gz ROMWZVDKAIDSCO-VIFPVBQESA-N -1 1 379.388 0.501 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc2[nH]cnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759995 950652671 /nfs/dbraw/zinc/65/26/71/950652671.db2.gz ROMWZVDKAIDSCO-VIFPVBQESA-N -1 1 379.388 0.501 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575923261 950653603 /nfs/dbraw/zinc/65/36/03/950653603.db2.gz PZWMQCRDPVSVKZ-KOLCDFICSA-N -1 1 380.416 0.394 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccnc1 ZINC001575923271 950653705 /nfs/dbraw/zinc/65/37/05/950653705.db2.gz QCYSOPZBSWMBDI-TZMCWYRMSA-N -1 1 379.428 0.508 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575923266 950654654 /nfs/dbraw/zinc/65/46/54/950654654.db2.gz QCOUVJGLXXXAPE-MWLCHTKSSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760167 950654962 /nfs/dbraw/zinc/65/49/62/950654962.db2.gz GRHPXKZHONOUNV-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760167 950654970 /nfs/dbraw/zinc/65/49/70/950654970.db2.gz GRHPXKZHONOUNV-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575923286 950655700 /nfs/dbraw/zinc/65/57/00/950655700.db2.gz QFAWABAVSFFVHQ-MFKMUULPSA-N -1 1 383.391 0.257 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575923224 950656163 /nfs/dbraw/zinc/65/61/63/950656163.db2.gz PTZUQLFVQDMTLE-SKDRFNHKSA-N -1 1 380.416 0.394 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574518678 950657295 /nfs/dbraw/zinc/65/72/95/950657295.db2.gz PLYGOKRJQBZXEF-RAIGVLPGSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574518678 950657309 /nfs/dbraw/zinc/65/73/09/950657309.db2.gz PLYGOKRJQBZXEF-RAIGVLPGSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760249 950657895 /nfs/dbraw/zinc/65/78/95/950657895.db2.gz HWXLTNAUJVKCQD-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760249 950657907 /nfs/dbraw/zinc/65/79/07/950657907.db2.gz HWXLTNAUJVKCQD-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM CC(C)(C)Oc1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001573876317 950670364 /nfs/dbraw/zinc/67/03/64/950670364.db2.gz KVDBDRDOFKOTNP-UHFFFAOYSA-N -1 1 385.384 0.945 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)c2C1 ZINC001576214438 950670782 /nfs/dbraw/zinc/67/07/82/950670782.db2.gz ANRUYZWUIKWZMJ-JTQLQIEISA-N -1 1 382.432 0.689 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)c2C1 ZINC001576214438 950670793 /nfs/dbraw/zinc/67/07/93/950670793.db2.gz ANRUYZWUIKWZMJ-JTQLQIEISA-N -1 1 382.432 0.689 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576214489 950671404 /nfs/dbraw/zinc/67/14/04/950671404.db2.gz AVZREPWJWUAFLR-BDAKNGLRSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760639 950672799 /nfs/dbraw/zinc/67/27/99/950672799.db2.gz KMCWMVFSDCPOIJ-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760639 950672816 /nfs/dbraw/zinc/67/28/16/950672816.db2.gz KMCWMVFSDCPOIJ-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc2nccn21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760688 950677235 /nfs/dbraw/zinc/67/72/35/950677235.db2.gz XXHFKMGQCKLJDM-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc2nccn21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760688 950677240 /nfs/dbraw/zinc/67/72/40/950677240.db2.gz XXHFKMGQCKLJDM-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760700 950677738 /nfs/dbraw/zinc/67/77/38/950677738.db2.gz YDOYAEGITAMGDD-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760700 950677747 /nfs/dbraw/zinc/67/77/47/950677747.db2.gz YDOYAEGITAMGDD-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575624901 950679331 /nfs/dbraw/zinc/67/93/31/950679331.db2.gz QFEQECDIPBCLJT-GHMZBOCLSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001575925140 950679725 /nfs/dbraw/zinc/67/97/25/950679725.db2.gz SVIBZCVHDGMLEB-JSGCOSHPSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccc1 ZINC001574519521 950680974 /nfs/dbraw/zinc/68/09/74/950680974.db2.gz FDWHHQZKPJQBLP-APNQJHFZSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001574519521 950680986 /nfs/dbraw/zinc/68/09/86/950680986.db2.gz FDWHHQZKPJQBLP-APNQJHFZSA-N -1 1 379.428 0.660 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575925283 950681139 /nfs/dbraw/zinc/68/11/39/950681139.db2.gz UCJSDMHBEQHRSY-NWDGAFQWSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H]1CCc2nc(C(=O)N(C)CCNc3cncc(-c4nnn[n-]4)n3)cn2C1 ZINC001576214783 950682813 /nfs/dbraw/zinc/68/28/13/950682813.db2.gz CCCZAQVDGLRWIZ-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCc2nc(C(=O)N(C)CCNc3cncc(-c4nn[n-]n4)n3)cn2C1 ZINC001576214783 950682821 /nfs/dbraw/zinc/68/28/21/950682821.db2.gz CCCZAQVDGLRWIZ-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760849 950684419 /nfs/dbraw/zinc/68/44/19/950684419.db2.gz MYQLSZLJHVLYDG-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760849 950684436 /nfs/dbraw/zinc/68/44/36/950684436.db2.gz MYQLSZLJHVLYDG-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575005485 950686419 /nfs/dbraw/zinc/68/64/19/950686419.db2.gz GBNOMAGNDFCRBQ-VIFPVBQESA-N -1 1 381.375 0.929 20 0 GCADMM C[C@@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574519551 950686731 /nfs/dbraw/zinc/68/67/31/950686731.db2.gz FWYQGTAVITYZFZ-JTQLQIEISA-N -1 1 386.420 0.292 20 0 GCADMM C[C@@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574519551 950686744 /nfs/dbraw/zinc/68/67/44/950686744.db2.gz FWYQGTAVITYZFZ-JTQLQIEISA-N -1 1 386.420 0.292 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573877467 950688326 /nfs/dbraw/zinc/68/83/26/950688326.db2.gz BLOITCFCIWFSFW-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573877467 950688339 /nfs/dbraw/zinc/68/83/39/950688339.db2.gz BLOITCFCIWFSFW-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cccn1 ZINC001575925545 950688448 /nfs/dbraw/zinc/68/84/48/950688448.db2.gz HHJFDLNVTZIHCX-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cccn1 ZINC001575925545 950688462 /nfs/dbraw/zinc/68/84/62/950688462.db2.gz HHJFDLNVTZIHCX-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574761005 950689916 /nfs/dbraw/zinc/68/99/16/950689916.db2.gz QAZYHNCJLPLDLQ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574761005 950689931 /nfs/dbraw/zinc/68/99/31/950689931.db2.gz QAZYHNCJLPLDLQ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ncccc1F ZINC001575925565 950690201 /nfs/dbraw/zinc/69/02/01/950690201.db2.gz HNEBSAGKGVKITA-CMPLNLGQSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ncccc1F ZINC001575925565 950690221 /nfs/dbraw/zinc/69/02/21/950690221.db2.gz HNEBSAGKGVKITA-CMPLNLGQSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCO1 ZINC001574519758 950693786 /nfs/dbraw/zinc/69/37/86/950693786.db2.gz YNKNDPJVQJDSKL-SYQHCUMBSA-N -1 1 386.460 0.591 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@@H]1CCCO1 ZINC001574519737 950693822 /nfs/dbraw/zinc/69/38/22/950693822.db2.gz HVNKZUIRQBMCHR-BIGJJFBESA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@@H]1CCCO1 ZINC001574519737 950693831 /nfs/dbraw/zinc/69/38/31/950693831.db2.gz HVNKZUIRQBMCHR-BIGJJFBESA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCO1 ZINC001574519756 950695079 /nfs/dbraw/zinc/69/50/79/950695079.db2.gz YNKNDPJVQJDSKL-AAVRWANBSA-N -1 1 386.460 0.591 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1cccnc1 ZINC001575926106 950701237 /nfs/dbraw/zinc/70/12/37/950701237.db2.gz IUAKKXOOWOWGRO-WCQYABFASA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1cccnc1 ZINC001575926106 950701252 /nfs/dbraw/zinc/70/12/52/950701252.db2.gz IUAKKXOOWOWGRO-WCQYABFASA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1cccnc1 ZINC001575926102 950702537 /nfs/dbraw/zinc/70/25/37/950702537.db2.gz IUAKKXOOWOWGRO-AAEUAGOBSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1cccnc1 ZINC001575926102 950702548 /nfs/dbraw/zinc/70/25/48/950702548.db2.gz IUAKKXOOWOWGRO-AAEUAGOBSA-N -1 1 381.400 0.532 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574179539 950703330 /nfs/dbraw/zinc/70/33/30/950703330.db2.gz DJXZMJIMUBJUKT-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574179539 950703347 /nfs/dbraw/zinc/70/33/47/950703347.db2.gz DJXZMJIMUBJUKT-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574762209 950705691 /nfs/dbraw/zinc/70/56/91/950705691.db2.gz XHWUJAIODNLZIL-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574762209 950705708 /nfs/dbraw/zinc/70/57/08/950705708.db2.gz XHWUJAIODNLZIL-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575926225 950706558 /nfs/dbraw/zinc/70/65/58/950706558.db2.gz WPDWKYQAXPAPPD-STQMWFEESA-N -1 1 382.432 0.157 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575006053 950710142 /nfs/dbraw/zinc/71/01/42/950710142.db2.gz REUVPNUVYOSEFO-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575006053 950710160 /nfs/dbraw/zinc/71/01/60/950710160.db2.gz REUVPNUVYOSEFO-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001576215825 950710446 /nfs/dbraw/zinc/71/04/46/950710446.db2.gz BPWZZRPTPSRWIO-XIKOKIGWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001576215825 950710461 /nfs/dbraw/zinc/71/04/61/950710461.db2.gz BPWZZRPTPSRWIO-XIKOKIGWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001576215909 950717279 /nfs/dbraw/zinc/71/72/79/950717279.db2.gz HDGIQJQQPSTGAP-NOZJJQNGSA-N -1 1 384.448 0.652 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763542 950717782 /nfs/dbraw/zinc/71/77/82/950717782.db2.gz DJUXJDDYYSHGJV-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763542 950717795 /nfs/dbraw/zinc/71/77/95/950717795.db2.gz DJUXJDDYYSHGJV-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763480 950718590 /nfs/dbraw/zinc/71/85/90/950718590.db2.gz BZTZNKNZPYEURZ-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763480 950718608 /nfs/dbraw/zinc/71/86/08/950718608.db2.gz BZTZNKNZPYEURZ-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575926811 950723383 /nfs/dbraw/zinc/72/33/83/950723383.db2.gz LZFRYMRWLZUVOT-QWRGUYRKSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575926811 950723397 /nfs/dbraw/zinc/72/33/97/950723397.db2.gz LZFRYMRWLZUVOT-QWRGUYRKSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763599 950723941 /nfs/dbraw/zinc/72/39/41/950723941.db2.gz GBZFWAUCHDDJOI-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575628542 950723960 /nfs/dbraw/zinc/72/39/60/950723960.db2.gz FDRPOPLJVLMUJL-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763599 950723954 /nfs/dbraw/zinc/72/39/54/950723954.db2.gz GBZFWAUCHDDJOI-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575926809 950724531 /nfs/dbraw/zinc/72/45/31/950724531.db2.gz LZFRYMRWLZUVOT-MNOVXSKESA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575926809 950724547 /nfs/dbraw/zinc/72/45/47/950724547.db2.gz LZFRYMRWLZUVOT-MNOVXSKESA-N -1 1 381.400 0.071 20 0 GCADMM CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575628564 950725084 /nfs/dbraw/zinc/72/50/84/950725084.db2.gz FOVHXOMXAPYIIF-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575628564 950725100 /nfs/dbraw/zinc/72/51/00/950725100.db2.gz FOVHXOMXAPYIIF-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2ncccc12)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763664 950726302 /nfs/dbraw/zinc/72/63/02/950726302.db2.gz HQRVZLJSNHTFSB-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2ncccc12)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763664 950726317 /nfs/dbraw/zinc/72/63/17/950726317.db2.gz HQRVZLJSNHTFSB-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216297 950727185 /nfs/dbraw/zinc/72/71/85/950727185.db2.gz HOPJPJPMWQLVPW-WDEREUQCSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575926898 950728652 /nfs/dbraw/zinc/72/86/52/950728652.db2.gz ZAFONMWUSYJUNB-JQWIXIFHSA-N -1 1 385.457 0.569 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575927021 950730769 /nfs/dbraw/zinc/73/07/69/950730769.db2.gz ZSAJGPGQOKCKHS-DTWKUNHWSA-N -1 1 390.358 0.385 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763735 950730731 /nfs/dbraw/zinc/73/07/31/950730731.db2.gz JEWNMYVNKCPAPU-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763735 950730741 /nfs/dbraw/zinc/73/07/41/950730741.db2.gz JEWNMYVNKCPAPU-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001575927063 950732443 /nfs/dbraw/zinc/73/24/43/950732443.db2.gz ZWZBBOVHWNCPGB-JQWIXIFHSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001575927062 950732553 /nfs/dbraw/zinc/73/25/53/950732553.db2.gz ZWZBBOVHWNCPGB-CMPLNLGQSA-N -1 1 390.411 0.670 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001573879783 950732836 /nfs/dbraw/zinc/73/28/36/950732836.db2.gz MLFUDKYAAFLWNS-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001573879738 950733150 /nfs/dbraw/zinc/73/31/50/950733150.db2.gz KIRAXVCMRHOXDV-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001573879738 950733159 /nfs/dbraw/zinc/73/31/59/950733159.db2.gz KIRAXVCMRHOXDV-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001576216391 950733992 /nfs/dbraw/zinc/73/39/92/950733992.db2.gz IWGLRDGOOILJQH-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001576216391 950734007 /nfs/dbraw/zinc/73/40/07/950734007.db2.gz IWGLRDGOOILJQH-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575629111 950735095 /nfs/dbraw/zinc/73/50/95/950735095.db2.gz LTVPWFCWQXXFJW-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575629111 950735107 /nfs/dbraw/zinc/73/51/07/950735107.db2.gz LTVPWFCWQXXFJW-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574180969 950735034 /nfs/dbraw/zinc/73/50/34/950735034.db2.gz HGZUIAIPJFVZHI-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574180969 950735046 /nfs/dbraw/zinc/73/50/46/950735046.db2.gz HGZUIAIPJFVZHI-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763821 950735875 /nfs/dbraw/zinc/73/58/75/950735875.db2.gz LOLRYJUCFFSISP-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763821 950735889 /nfs/dbraw/zinc/73/58/89/950735889.db2.gz LOLRYJUCFFSISP-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575629519 950739002 /nfs/dbraw/zinc/73/90/02/950739002.db2.gz OLMRTSCAFNUYFQ-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575629519 950739013 /nfs/dbraw/zinc/73/90/13/950739013.db2.gz OLMRTSCAFNUYFQ-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574181027 950739048 /nfs/dbraw/zinc/73/90/48/950739048.db2.gz ITGQUMVTPSILHB-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574181027 950739060 /nfs/dbraw/zinc/73/90/60/950739060.db2.gz ITGQUMVTPSILHB-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2nccn2c1 ZINC001575927307 950739919 /nfs/dbraw/zinc/73/99/19/950739919.db2.gz OXXUAKYVFZDPPG-JQWIXIFHSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2nccn2c1 ZINC001575927307 950739941 /nfs/dbraw/zinc/73/99/41/950739941.db2.gz OXXUAKYVFZDPPG-JQWIXIFHSA-N -1 1 391.399 0.415 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574181028 950741071 /nfs/dbraw/zinc/74/10/71/950741071.db2.gz IUBTXFYWIINJRD-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574181028 950741084 /nfs/dbraw/zinc/74/10/84/950741084.db2.gz IUBTXFYWIINJRD-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574181443 950743729 /nfs/dbraw/zinc/74/37/29/950743729.db2.gz NGFMCOGIDDYFIG-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574181443 950743753 /nfs/dbraw/zinc/74/37/53/950743753.db2.gz NGFMCOGIDDYFIG-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764172 950744060 /nfs/dbraw/zinc/74/40/60/950744060.db2.gz QNCLQNSEAFPTHO-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764172 950744076 /nfs/dbraw/zinc/74/40/76/950744076.db2.gz QNCLQNSEAFPTHO-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927564 950746469 /nfs/dbraw/zinc/74/64/69/950746469.db2.gz PZKYEZPJCGMIAT-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927564 950746488 /nfs/dbraw/zinc/74/64/88/950746488.db2.gz PZKYEZPJCGMIAT-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM CC1(C)CC(C(=O)NC[C@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)C1 ZINC001575629754 950746803 /nfs/dbraw/zinc/74/68/03/950746803.db2.gz RZVSNOAWDLQMFH-GOSISDBHSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(C(=O)NC[C@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)C1 ZINC001575629754 950746821 /nfs/dbraw/zinc/74/68/21/950746821.db2.gz RZVSNOAWDLQMFH-GOSISDBHSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574181999 950752748 /nfs/dbraw/zinc/75/27/48/950752748.db2.gz RIPAATIQDOUCCZ-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574181999 950752759 /nfs/dbraw/zinc/75/27/59/950752759.db2.gz RIPAATIQDOUCCZ-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764678 950757170 /nfs/dbraw/zinc/75/71/70/950757170.db2.gz WEZYPXGEFURICE-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764678 950757183 /nfs/dbraw/zinc/75/71/83/950757183.db2.gz WEZYPXGEFURICE-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM CC1(C)CC(C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001575630426 950761314 /nfs/dbraw/zinc/76/13/14/950761314.db2.gz CTBHAWURJIGZND-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC1(C)CC(C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001575630426 950761331 /nfs/dbraw/zinc/76/13/31/950761331.db2.gz CTBHAWURJIGZND-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764745 950762050 /nfs/dbraw/zinc/76/20/50/950762050.db2.gz XPXYATFKIFOGID-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764745 950762066 /nfs/dbraw/zinc/76/20/66/950762066.db2.gz XPXYATFKIFOGID-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575927913 950764798 /nfs/dbraw/zinc/76/47/98/950764798.db2.gz VZXVNTIZTKJIIP-GXSJLCMTSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)nn3)nc2C1 ZINC001576217705 950766963 /nfs/dbraw/zinc/76/69/63/950766963.db2.gz NUOFLMJAAWXPJF-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)nn3)nc2C1 ZINC001576217705 950766972 /nfs/dbraw/zinc/76/69/72/950766972.db2.gz NUOFLMJAAWXPJF-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575927995 950768571 /nfs/dbraw/zinc/76/85/71/950768571.db2.gz XFMIYYYPIALLLC-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575927995 950768583 /nfs/dbraw/zinc/76/85/83/950768583.db2.gz XFMIYYYPIALLLC-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575927994 950768750 /nfs/dbraw/zinc/76/87/50/950768750.db2.gz XFMIYYYPIALLLC-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575927994 950768766 /nfs/dbraw/zinc/76/87/66/950768766.db2.gz XFMIYYYPIALLLC-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)co1 ZINC001573884077 950781489 /nfs/dbraw/zinc/78/14/89/950781489.db2.gz GSFXEARMNFQVHZ-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)co1 ZINC001573884077 950781501 /nfs/dbraw/zinc/78/15/01/950781501.db2.gz GSFXEARMNFQVHZ-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)co1 ZINC001573884318 950790583 /nfs/dbraw/zinc/79/05/83/950790583.db2.gz CTUWSHBQRKGWIC-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)co1 ZINC001573884318 950790597 /nfs/dbraw/zinc/79/05/97/950790597.db2.gz CTUWSHBQRKGWIC-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ncc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001573884605 950798659 /nfs/dbraw/zinc/79/86/59/950798659.db2.gz GBTOZQWIIOUTDM-UHFFFAOYSA-N -1 1 390.429 0.313 20 0 GCADMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574185513 950804220 /nfs/dbraw/zinc/80/42/20/950804220.db2.gz ZPWMTECTBBJGNF-DGCLKSJQSA-N -1 1 375.433 0.850 20 0 GCADMM CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574186465 950814026 /nfs/dbraw/zinc/81/40/26/950814026.db2.gz DSGTVGMQCXROMZ-GOSISDBHSA-N -1 1 388.476 0.670 20 0 GCADMM CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574186689 950815870 /nfs/dbraw/zinc/81/58/70/950815870.db2.gz ILDYGHYAXHCVSZ-KGLIPLIRSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575931966 950817908 /nfs/dbraw/zinc/81/79/08/950817908.db2.gz KEGMOUCPEGNPNQ-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575931966 950817928 /nfs/dbraw/zinc/81/79/28/950817928.db2.gz KEGMOUCPEGNPNQ-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576220223 950824023 /nfs/dbraw/zinc/82/40/23/950824023.db2.gz WKJZXPRWGLALIG-UWVGGRQHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576220223 950824062 /nfs/dbraw/zinc/82/40/62/950824062.db2.gz WKJZXPRWGLALIG-UWVGGRQHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766778 950826578 /nfs/dbraw/zinc/82/65/78/950826578.db2.gz KURSCVCGIHCOBL-JTQLQIEISA-N -1 1 383.416 0.518 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573885810 950833228 /nfs/dbraw/zinc/83/32/28/950833228.db2.gz VAYWXVPNCZABEF-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccnc(-c4nn[n-]n4)n3)c2C1 ZINC001576221038 950839206 /nfs/dbraw/zinc/83/92/06/950839206.db2.gz YXALFHJPSPOCSY-SNVBAGLBSA-N -1 1 382.432 0.111 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573887680 950849234 /nfs/dbraw/zinc/84/92/34/950849234.db2.gz IKJCEVKGVPEPIN-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573887680 950849257 /nfs/dbraw/zinc/84/92/57/950849257.db2.gz IKJCEVKGVPEPIN-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767295 950849258 /nfs/dbraw/zinc/84/92/58/950849258.db2.gz PNTAEVYZQNJIOX-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767295 950849277 /nfs/dbraw/zinc/84/92/77/950849277.db2.gz PNTAEVYZQNJIOX-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576222144 950862085 /nfs/dbraw/zinc/86/20/85/950862085.db2.gz XIELPHDWARVQCQ-VHSXEESVSA-N -1 1 378.387 0.773 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001573888465 950870362 /nfs/dbraw/zinc/87/03/62/950870362.db2.gz UTDIWRDXLBXQGF-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001573888465 950870378 /nfs/dbraw/zinc/87/03/78/950870378.db2.gz UTDIWRDXLBXQGF-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)n1 ZINC001573888715 950875744 /nfs/dbraw/zinc/87/57/44/950875744.db2.gz ZIFQGMJHZMWMIX-JTQLQIEISA-N -1 1 381.462 0.972 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)n1 ZINC001573888715 950875749 /nfs/dbraw/zinc/87/57/49/950875749.db2.gz ZIFQGMJHZMWMIX-JTQLQIEISA-N -1 1 381.462 0.972 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575935472 950881812 /nfs/dbraw/zinc/88/18/12/950881812.db2.gz WXLJYXMNVXJIJC-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575935472 950881829 /nfs/dbraw/zinc/88/18/29/950881829.db2.gz WXLJYXMNVXJIJC-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2ccn[nH]2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640485 950896319 /nfs/dbraw/zinc/89/63/19/950896319.db2.gz HVIAISJVIWFREM-LLVKDONJSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2ccn[nH]2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640485 950896330 /nfs/dbraw/zinc/89/63/30/950896330.db2.gz HVIAISJVIWFREM-LLVKDONJSA-N -1 1 382.432 0.805 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1cccnc1 ZINC001575935860 950898564 /nfs/dbraw/zinc/89/85/64/950898564.db2.gz ZXEFDDZEWGKDLH-YPMHNXCESA-N -1 1 381.400 0.532 20 0 GCADMM CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574189702 950898506 /nfs/dbraw/zinc/89/85/06/950898506.db2.gz QHXDSHPWQXKDPG-GOSISDBHSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574189702 950898517 /nfs/dbraw/zinc/89/85/17/950898517.db2.gz QHXDSHPWQXKDPG-GOSISDBHSA-N -1 1 388.476 0.931 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1cccnc1 ZINC001575935860 950898582 /nfs/dbraw/zinc/89/85/82/950898582.db2.gz ZXEFDDZEWGKDLH-YPMHNXCESA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C)n1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574768856 950900717 /nfs/dbraw/zinc/90/07/17/950900717.db2.gz WTAVEWPBWWPKFD-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C)n1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574768856 950900732 /nfs/dbraw/zinc/90/07/32/950900732.db2.gz WTAVEWPBWWPKFD-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM CC(C)(C)n1nnc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001573893829 950902634 /nfs/dbraw/zinc/90/26/34/950902634.db2.gz YPHHTHSUPKDRIM-UHFFFAOYSA-N -1 1 388.461 0.284 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575936185 950905501 /nfs/dbraw/zinc/90/55/01/950905501.db2.gz CPKXJKYRJKYSBJ-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575936185 950905520 /nfs/dbraw/zinc/90/55/20/950905520.db2.gz CPKXJKYRJKYSBJ-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM CC1(C)C[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCS1 ZINC001575640945 950906324 /nfs/dbraw/zinc/90/63/24/950906324.db2.gz LPLUBCPOGWLQJT-SECBINFHSA-N -1 1 379.446 0.310 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575936186 950906886 /nfs/dbraw/zinc/90/68/86/950906886.db2.gz CPKXJKYRJKYSBJ-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575936186 950906916 /nfs/dbraw/zinc/90/69/16/950906916.db2.gz CPKXJKYRJKYSBJ-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC(N(CCO)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575641143 950910955 /nfs/dbraw/zinc/91/09/55/950910955.db2.gz ANNVFVXAZGCYHS-CYBMUJFWSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC(N(CCO)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575641143 950910982 /nfs/dbraw/zinc/91/09/82/950910982.db2.gz ANNVFVXAZGCYHS-CYBMUJFWSA-N -1 1 386.460 0.493 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001573893915 950912602 /nfs/dbraw/zinc/91/26/02/950912602.db2.gz BYWSASLJGBIIQU-UHFFFAOYSA-N -1 1 382.432 0.405 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573893992 950913424 /nfs/dbraw/zinc/91/34/24/950913424.db2.gz HYGPPVPVUNDILB-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893992 950913438 /nfs/dbraw/zinc/91/34/38/950913438.db2.gz HYGPPVPVUNDILB-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573894029 950917117 /nfs/dbraw/zinc/91/71/17/950917117.db2.gz JHSPRTZKVPHOLZ-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573894029 950917134 /nfs/dbraw/zinc/91/71/34/950917134.db2.gz JHSPRTZKVPHOLZ-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573894021 950918934 /nfs/dbraw/zinc/91/89/34/950918934.db2.gz JBNIWYDLOKYCAK-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573894021 950918948 /nfs/dbraw/zinc/91/89/48/950918948.db2.gz JBNIWYDLOKYCAK-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573894033 950920489 /nfs/dbraw/zinc/92/04/89/950920489.db2.gz JPVPQNREAMMGMD-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573894033 950920507 /nfs/dbraw/zinc/92/05/07/950920507.db2.gz JPVPQNREAMMGMD-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575936662 950922307 /nfs/dbraw/zinc/92/23/07/950922307.db2.gz HKAUOKWLAYKZKI-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575936662 950922322 /nfs/dbraw/zinc/92/23/22/950922322.db2.gz HKAUOKWLAYKZKI-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573894504 950927368 /nfs/dbraw/zinc/92/73/68/950927368.db2.gz SZBAZMKUEIDYPS-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573894504 950927382 /nfs/dbraw/zinc/92/73/82/950927382.db2.gz SZBAZMKUEIDYPS-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573894513 950929263 /nfs/dbraw/zinc/92/92/63/950929263.db2.gz UEBOPAZDAFFBQV-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573894513 950929277 /nfs/dbraw/zinc/92/92/77/950929277.db2.gz UEBOPAZDAFFBQV-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573894494 950929821 /nfs/dbraw/zinc/92/98/21/950929821.db2.gz SPQPJBYFBWFVRZ-TXEJJXNPSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573894494 950929838 /nfs/dbraw/zinc/92/98/38/950929838.db2.gz SPQPJBYFBWFVRZ-TXEJJXNPSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1cccnc1 ZINC001575936847 950929924 /nfs/dbraw/zinc/92/99/24/950929924.db2.gz IXQQAFPXWARXPP-WCQYABFASA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1cccnc1 ZINC001575936847 950929944 /nfs/dbraw/zinc/92/99/44/950929944.db2.gz IXQQAFPXWARXPP-WCQYABFASA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1cccnc1 ZINC001575936846 950932176 /nfs/dbraw/zinc/93/21/76/950932176.db2.gz IXQQAFPXWARXPP-DGCLKSJQSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1cccnc1 ZINC001575936846 950932194 /nfs/dbraw/zinc/93/21/94/950932194.db2.gz IXQQAFPXWARXPP-DGCLKSJQSA-N -1 1 381.400 0.532 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c(=O)[nH]c1=O ZINC001573894669 950932291 /nfs/dbraw/zinc/93/22/91/950932291.db2.gz XCLBRXXMZZJJCN-UHFFFAOYSA-N -1 1 384.400 0.138 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c(=O)[nH]c1=O ZINC001573894669 950932310 /nfs/dbraw/zinc/93/23/10/950932310.db2.gz XCLBRXXMZZJJCN-UHFFFAOYSA-N -1 1 384.400 0.138 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)nn1 ZINC001573894671 950932680 /nfs/dbraw/zinc/93/26/80/950932680.db2.gz XDGKXCUUMBOHPZ-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)nn1 ZINC001573894671 950932692 /nfs/dbraw/zinc/93/26/92/950932692.db2.gz XDGKXCUUMBOHPZ-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642035 950933467 /nfs/dbraw/zinc/93/34/67/950933467.db2.gz SXYNFOQGSQZODE-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642035 950933480 /nfs/dbraw/zinc/93/34/80/950933480.db2.gz SXYNFOQGSQZODE-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573894521 950934390 /nfs/dbraw/zinc/93/43/90/950934390.db2.gz UKWSUHUIZLSJTI-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573894521 950934404 /nfs/dbraw/zinc/93/44/04/950934404.db2.gz UKWSUHUIZLSJTI-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C1CC1 ZINC001573895922 950940982 /nfs/dbraw/zinc/94/09/82/950940982.db2.gz FMMBOEDKYDQOQQ-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)C1CC1 ZINC001573895922 950941002 /nfs/dbraw/zinc/94/10/02/950941002.db2.gz FMMBOEDKYDQOQQ-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)CC(F)F ZINC001573896149 950945818 /nfs/dbraw/zinc/94/58/18/950945818.db2.gz GKGIKUCNKJOHLO-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)CC(F)F ZINC001573896149 950945833 /nfs/dbraw/zinc/94/58/33/950945833.db2.gz GKGIKUCNKJOHLO-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001575642916 950949792 /nfs/dbraw/zinc/94/97/92/950949792.db2.gz JKGZJVWEMYESGH-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(F)F ZINC001573897470 950961411 /nfs/dbraw/zinc/96/14/11/950961411.db2.gz QCIQFXNSFQPNTN-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(F)F ZINC001573897470 950961430 /nfs/dbraw/zinc/96/14/30/950961430.db2.gz QCIQFXNSFQPNTN-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529996 950966024 /nfs/dbraw/zinc/96/60/24/950966024.db2.gz SEBZEMAIFDMVJH-ZJUUUORDSA-N -1 1 384.400 0.622 20 0 GCADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1nc[nH]n1 ZINC001575937992 950968221 /nfs/dbraw/zinc/96/82/21/950968221.db2.gz IEPHXYYYBANKNC-NTSWFWBYSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575938146 950970869 /nfs/dbraw/zinc/97/08/69/950970869.db2.gz NFQHIBXBKTWGQV-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575938146 950970880 /nfs/dbraw/zinc/97/08/80/950970880.db2.gz NFQHIBXBKTWGQV-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575938145 950973244 /nfs/dbraw/zinc/97/32/44/950973244.db2.gz NFQHIBXBKTWGQV-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575938145 950973264 /nfs/dbraw/zinc/97/32/64/950973264.db2.gz NFQHIBXBKTWGQV-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001575938477 950980068 /nfs/dbraw/zinc/98/00/68/950980068.db2.gz NYXARVCCPORSNN-GXSJLCMTSA-N -1 1 391.399 0.643 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001575938477 950980083 /nfs/dbraw/zinc/98/00/83/950980083.db2.gz NYXARVCCPORSNN-GXSJLCMTSA-N -1 1 391.399 0.643 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576230011 950985307 /nfs/dbraw/zinc/98/53/07/950985307.db2.gz KXXYJWPJTXKTQV-RYUDHWBXSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576230011 950985322 /nfs/dbraw/zinc/98/53/22/950985322.db2.gz KXXYJWPJTXKTQV-RYUDHWBXSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575017335 950989962 /nfs/dbraw/zinc/98/99/62/950989962.db2.gz DLKRKLUWAQGVHS-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575017335 950989979 /nfs/dbraw/zinc/98/99/79/950989979.db2.gz DLKRKLUWAQGVHS-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM CCOC(=O)c1cc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])on1 ZINC001591091865 951058032 /nfs/dbraw/zinc/05/80/32/951058032.db2.gz IZYMRWWFFWCEII-KOLCDFICSA-N -1 1 393.318 0.947 20 0 GCADMM CCOC(=O)c1cc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])on1 ZINC001591091864 951058100 /nfs/dbraw/zinc/05/81/00/951058100.db2.gz IZYMRWWFFWCEII-GXSJLCMTSA-N -1 1 393.318 0.947 20 0 GCADMM O=C([O-])C1CCN(S(=O)(=O)N2CCC(CN3CCOCC3)CC2)CC1 ZINC000326598281 951101865 /nfs/dbraw/zinc/10/18/65/951101865.db2.gz HZZBHEYWLFFJMY-UHFFFAOYSA-N -1 1 375.491 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024401 951101805 /nfs/dbraw/zinc/10/18/05/951101805.db2.gz DBDBOHRSLOPVEM-GFCCVEGCSA-N -1 1 381.444 0.623 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024496 951104553 /nfs/dbraw/zinc/10/45/53/951104553.db2.gz FQTNYXURNDHRPK-NSHDSACASA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024496 951104564 /nfs/dbraw/zinc/10/45/64/951104564.db2.gz FQTNYXURNDHRPK-NSHDSACASA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024779 951114358 /nfs/dbraw/zinc/11/43/58/951114358.db2.gz MOQYREYIKWRCFQ-LLVKDONJSA-N -1 1 382.432 0.018 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024902 951120284 /nfs/dbraw/zinc/12/02/84/951120284.db2.gz PMDJIAFIRZKFTN-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024902 951120289 /nfs/dbraw/zinc/12/02/89/951120289.db2.gz PMDJIAFIRZKFTN-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575025346 951131102 /nfs/dbraw/zinc/13/11/02/951131102.db2.gz YHQUNVJIPNGTEC-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575025346 951131109 /nfs/dbraw/zinc/13/11/09/951131109.db2.gz YHQUNVJIPNGTEC-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CO1 ZINC001595002088 951143030 /nfs/dbraw/zinc/14/30/30/951143030.db2.gz ROJFOGVZQZDZKY-YESZJQIVSA-N -1 1 383.489 0.169 20 0 GCADMM C[C@H](CNC(=O)c1cccc2n[nH]cc21)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027170 951153529 /nfs/dbraw/zinc/15/35/29/951153529.db2.gz CUTZAPUMAFWVDQ-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027975 951165142 /nfs/dbraw/zinc/16/51/42/951165142.db2.gz KELAPOHDYWRCRP-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027975 951165147 /nfs/dbraw/zinc/16/51/47/951165147.db2.gz KELAPOHDYWRCRP-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1cccc2oc(=O)[nH]c21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575028588 951176478 /nfs/dbraw/zinc/17/64/78/951176478.db2.gz ONJNJJRGXIYAEO-MRVPVSSYSA-N -1 1 381.356 0.734 20 0 GCADMM C[C@H](CNC(=O)c1cccc2oc(=O)[nH]c21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575028588 951176485 /nfs/dbraw/zinc/17/64/85/951176485.db2.gz ONJNJJRGXIYAEO-MRVPVSSYSA-N -1 1 381.356 0.734 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028565 951177969 /nfs/dbraw/zinc/17/79/69/951177969.db2.gz OGIGMOWXQCRFSM-NSHDSACASA-N -1 1 380.412 0.382 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575031821 951204826 /nfs/dbraw/zinc/20/48/26/951204826.db2.gz JOZARSGKOOCUIS-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575031821 951204829 /nfs/dbraw/zinc/20/48/29/951204829.db2.gz JOZARSGKOOCUIS-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575032166 951218668 /nfs/dbraw/zinc/21/86/68/951218668.db2.gz SFVONMASMSQKJO-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575033840 951228685 /nfs/dbraw/zinc/22/86/85/951228685.db2.gz CKAFSICCRNSSLT-SECBINFHSA-N -1 1 392.374 0.018 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575033955 951235853 /nfs/dbraw/zinc/23/58/53/951235853.db2.gz FKIYWQHZQAPMHJ-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575033955 951235866 /nfs/dbraw/zinc/23/58/66/951235866.db2.gz FKIYWQHZQAPMHJ-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575034160 951236945 /nfs/dbraw/zinc/23/69/45/951236945.db2.gz IOCRXYLWIHQPKZ-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575034160 951236952 /nfs/dbraw/zinc/23/69/52/951236952.db2.gz IOCRXYLWIHQPKZ-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575034385 951246353 /nfs/dbraw/zinc/24/63/53/951246353.db2.gz BBSMZMVDGMEXSX-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575034385 951246363 /nfs/dbraw/zinc/24/63/63/951246363.db2.gz BBSMZMVDGMEXSX-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034814 951257951 /nfs/dbraw/zinc/25/79/51/951257951.db2.gz FAURLSGPKRJCJQ-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034814 951257963 /nfs/dbraw/zinc/25/79/63/951257963.db2.gz FAURLSGPKRJCJQ-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575036281 951291247 /nfs/dbraw/zinc/29/12/47/951291247.db2.gz QPVHKDNMTBEYNG-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575036281 951291255 /nfs/dbraw/zinc/29/12/55/951291255.db2.gz QPVHKDNMTBEYNG-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])[nH]n1 ZINC001592094281 951296827 /nfs/dbraw/zinc/29/68/27/951296827.db2.gz KSZDNVNGAOKXGA-XVKPBYJWSA-N -1 1 378.307 0.545 20 0 GCADMM C[C@H](CNC(=O)c1cn(-c2ccccc2)nn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575038164 951316166 /nfs/dbraw/zinc/31/61/66/951316166.db2.gz GIRXDJPFOFKSBJ-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@H](CNC(=O)c1cn(-c2ccccc2)nn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575038164 951316178 /nfs/dbraw/zinc/31/61/78/951316178.db2.gz GIRXDJPFOFKSBJ-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575040617 951346522 /nfs/dbraw/zinc/34/65/22/951346522.db2.gz ZRCZUSKHKXZXID-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575040617 951346534 /nfs/dbraw/zinc/34/65/34/951346534.db2.gz ZRCZUSKHKXZXID-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575042367 951358389 /nfs/dbraw/zinc/35/83/89/951358389.db2.gz IQNQNGXFEHDIAY-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575042367 951358402 /nfs/dbraw/zinc/35/84/02/951358402.db2.gz IQNQNGXFEHDIAY-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042192 951359792 /nfs/dbraw/zinc/35/97/92/951359792.db2.gz HBHOYBZXYQWYBR-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042192 951359805 /nfs/dbraw/zinc/35/98/05/951359805.db2.gz HBHOYBZXYQWYBR-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575042573 951366442 /nfs/dbraw/zinc/36/64/42/951366442.db2.gz KXWMOYVVFXVUAT-JTQLQIEISA-N -1 1 383.420 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575042573 951366457 /nfs/dbraw/zinc/36/64/57/951366457.db2.gz KXWMOYVVFXVUAT-JTQLQIEISA-N -1 1 383.420 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042630 951367880 /nfs/dbraw/zinc/36/78/80/951367880.db2.gz LJIQWNXJKYVGGK-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042630 951367892 /nfs/dbraw/zinc/36/78/92/951367892.db2.gz LJIQWNXJKYVGGK-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575042713 951369958 /nfs/dbraw/zinc/36/99/58/951369958.db2.gz BCWYKUIGARMBSF-MNOVXSKESA-N -1 1 382.432 0.403 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575042739 951370502 /nfs/dbraw/zinc/37/05/02/951370502.db2.gz BHQNHUNSPPOERD-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575042739 951370519 /nfs/dbraw/zinc/37/05/19/951370519.db2.gz BHQNHUNSPPOERD-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575042903 951371837 /nfs/dbraw/zinc/37/18/37/951371837.db2.gz NBUAWJHHAKGQHP-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575042903 951371851 /nfs/dbraw/zinc/37/18/51/951371851.db2.gz NBUAWJHHAKGQHP-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575042987 951377353 /nfs/dbraw/zinc/37/73/53/951377353.db2.gz FDTUMARFLBSCBG-SECBINFHSA-N -1 1 385.457 0.891 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575043233 951382249 /nfs/dbraw/zinc/38/22/49/951382249.db2.gz HDKFZVUUYMJAMQ-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575043233 951382256 /nfs/dbraw/zinc/38/22/56/951382256.db2.gz HDKFZVUUYMJAMQ-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575043347 951388739 /nfs/dbraw/zinc/38/87/39/951388739.db2.gz QSMMPRCQHFBWDK-YFKPBYRVSA-N -1 1 383.825 0.646 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575043490 951394181 /nfs/dbraw/zinc/39/41/81/951394181.db2.gz RZTQXPCGJRBDGH-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575043490 951394193 /nfs/dbraw/zinc/39/41/93/951394193.db2.gz RZTQXPCGJRBDGH-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575043509 951396402 /nfs/dbraw/zinc/39/64/02/951396402.db2.gz SHYSYMUPIKUBNA-SNVBAGLBSA-N -1 1 382.432 0.310 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575043669 951398843 /nfs/dbraw/zinc/39/88/43/951398843.db2.gz LMYDGNXQINFOGO-VIFPVBQESA-N -1 1 385.457 0.718 20 0 GCADMM C[C@H](CNC(=O)c1cnc2[nH]ccc2c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575043712 951403330 /nfs/dbraw/zinc/40/33/30/951403330.db2.gz MKAUSBWFKXVGSO-JTQLQIEISA-N -1 1 378.400 0.963 20 0 GCADMM C[C@H](CNC(=O)c1cnc2[nH]ccc2c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575043712 951403339 /nfs/dbraw/zinc/40/33/39/951403339.db2.gz MKAUSBWFKXVGSO-JTQLQIEISA-N -1 1 378.400 0.963 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044201 951411731 /nfs/dbraw/zinc/41/17/31/951411731.db2.gz PTMOBSREIGRLKH-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044201 951411738 /nfs/dbraw/zinc/41/17/38/951411738.db2.gz PTMOBSREIGRLKH-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575044335 951412933 /nfs/dbraw/zinc/41/29/33/951412933.db2.gz YWPYZNKRDAIGEX-SNVBAGLBSA-N -1 1 384.448 0.340 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1-c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575045051 951422597 /nfs/dbraw/zinc/42/25/97/951422597.db2.gz ZJPILTMCKAFSCY-SECBINFHSA-N -1 1 380.372 0.292 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575045760 951432278 /nfs/dbraw/zinc/43/22/78/951432278.db2.gz HEFNXSVQWNPQGD-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575045760 951432285 /nfs/dbraw/zinc/43/22/85/951432285.db2.gz HEFNXSVQWNPQGD-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cncc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575045952 951434568 /nfs/dbraw/zinc/43/45/68/951434568.db2.gz JUMAIENODSLSSQ-LLVKDONJSA-N -1 1 375.396 0.857 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575045893 951436147 /nfs/dbraw/zinc/43/61/47/951436147.db2.gz JEHJQBKIIJFWPB-NSHDSACASA-N -1 1 382.432 0.470 20 0 GCADMM C[C@@H](CNC(=O)c1cncn1C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575046392 951441357 /nfs/dbraw/zinc/44/13/57/951441357.db2.gz NQMWMFGPKWKJJE-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575046678 951446410 /nfs/dbraw/zinc/44/64/10/951446410.db2.gz QYDDFXZWRLHURS-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575046678 951446417 /nfs/dbraw/zinc/44/64/17/951446417.db2.gz QYDDFXZWRLHURS-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575051968 951456867 /nfs/dbraw/zinc/45/68/67/951456867.db2.gz CHWSXIZIHYGMFS-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575051968 951456875 /nfs/dbraw/zinc/45/68/75/951456875.db2.gz CHWSXIZIHYGMFS-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575052149 951459182 /nfs/dbraw/zinc/45/91/82/951459182.db2.gz DWZHBNLNMQSZKK-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575052149 951459188 /nfs/dbraw/zinc/45/91/88/951459188.db2.gz DWZHBNLNMQSZKK-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052224 951462065 /nfs/dbraw/zinc/46/20/65/951462065.db2.gz GIPUEHOEJYRNKH-LLVKDONJSA-N -1 1 382.432 0.741 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052224 951462072 /nfs/dbraw/zinc/46/20/72/951462072.db2.gz GIPUEHOEJYRNKH-LLVKDONJSA-N -1 1 382.432 0.741 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052497 951465651 /nfs/dbraw/zinc/46/56/51/951465651.db2.gz KHGXZMHPSRLSMK-LLVKDONJSA-N -1 1 382.432 0.163 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575052558 951468685 /nfs/dbraw/zinc/46/86/85/951468685.db2.gz LPZCNYMHIRNGHE-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575052558 951468693 /nfs/dbraw/zinc/46/86/93/951468693.db2.gz LPZCNYMHIRNGHE-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575052780 951472050 /nfs/dbraw/zinc/47/20/50/951472050.db2.gz ODZCBTBPFBYGOM-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575052780 951472056 /nfs/dbraw/zinc/47/20/56/951472056.db2.gz ODZCBTBPFBYGOM-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575053263 951476310 /nfs/dbraw/zinc/47/63/10/951476310.db2.gz SAURLUJZMYJYNR-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575053263 951476318 /nfs/dbraw/zinc/47/63/18/951476318.db2.gz SAURLUJZMYJYNR-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575053735 951483475 /nfs/dbraw/zinc/48/34/75/951483475.db2.gz UZVXGYBZGQGCJF-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575053735 951483489 /nfs/dbraw/zinc/48/34/89/951483489.db2.gz UZVXGYBZGQGCJF-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnoc1-c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575054312 951491662 /nfs/dbraw/zinc/49/16/62/951491662.db2.gz IMTSJANSTRFLDU-NSHDSACASA-N -1 1 391.395 0.964 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575055219 951499864 /nfs/dbraw/zinc/49/98/64/951499864.db2.gz OJHQKWSSSVNGGN-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575055219 951499867 /nfs/dbraw/zinc/49/98/67/951499867.db2.gz OJHQKWSSSVNGGN-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575055367 951503493 /nfs/dbraw/zinc/50/34/93/951503493.db2.gz RTCGYHFBSPCFHW-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575055367 951503504 /nfs/dbraw/zinc/50/35/04/951503504.db2.gz RTCGYHFBSPCFHW-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575055562 951508934 /nfs/dbraw/zinc/50/89/34/951508934.db2.gz XHIAOIYAKUUYOQ-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575055562 951508940 /nfs/dbraw/zinc/50/89/40/951508940.db2.gz XHIAOIYAKUUYOQ-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575058864 951535734 /nfs/dbraw/zinc/53/57/34/951535734.db2.gz VZVXNZFAKSKHGA-SNVBAGLBSA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575058864 951535743 /nfs/dbraw/zinc/53/57/43/951535743.db2.gz VZVXNZFAKSKHGA-SNVBAGLBSA-N -1 1 383.416 0.852 20 0 GCADMM C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575059038 951537446 /nfs/dbraw/zinc/53/74/46/951537446.db2.gz YAKKNIPAJLZNJV-JTQLQIEISA-N -1 1 383.416 0.955 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575060958 951551581 /nfs/dbraw/zinc/55/15/81/951551581.db2.gz KIUGXRJRTBDKCK-QMMMGPOBSA-N -1 1 375.343 0.230 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575061256 951554947 /nfs/dbraw/zinc/55/49/47/951554947.db2.gz MCWGRGXDLSUNRB-LURJTMIESA-N -1 1 382.310 0.051 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575061282 951557635 /nfs/dbraw/zinc/55/76/35/951557635.db2.gz MLGHNUCNLJYZAG-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575061282 951557647 /nfs/dbraw/zinc/55/76/47/951557647.db2.gz MLGHNUCNLJYZAG-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575061321 951558077 /nfs/dbraw/zinc/55/80/77/951558077.db2.gz MXBVCRSWLVLPKS-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575061321 951558084 /nfs/dbraw/zinc/55/80/84/951558084.db2.gz MXBVCRSWLVLPKS-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575062814 951571362 /nfs/dbraw/zinc/57/13/62/951571362.db2.gz YYUJOLQWKKWTKU-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575062814 951571373 /nfs/dbraw/zinc/57/13/73/951571373.db2.gz YYUJOLQWKKWTKU-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575064601 951573031 /nfs/dbraw/zinc/57/30/31/951573031.db2.gz AOOSXVSKPBPEEN-SNVBAGLBSA-N -1 1 384.400 0.577 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575064601 951573042 /nfs/dbraw/zinc/57/30/42/951573042.db2.gz AOOSXVSKPBPEEN-SNVBAGLBSA-N -1 1 384.400 0.577 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575064695 951576589 /nfs/dbraw/zinc/57/65/89/951576589.db2.gz CLNUDVMCXSTNHE-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575064695 951576595 /nfs/dbraw/zinc/57/65/95/951576595.db2.gz CLNUDVMCXSTNHE-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1ncnc2sccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575065315 951583269 /nfs/dbraw/zinc/58/32/69/951583269.db2.gz BGVDVOGNVUAFPE-QMMMGPOBSA-N -1 1 382.413 0.892 20 0 GCADMM C[C@@H](CNC(=O)c1ncnc2sccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575065315 951583276 /nfs/dbraw/zinc/58/32/76/951583276.db2.gz BGVDVOGNVUAFPE-QMMMGPOBSA-N -1 1 382.413 0.892 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575065761 951587253 /nfs/dbraw/zinc/58/72/53/951587253.db2.gz ILQYMEQTCVQQJF-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575065761 951587261 /nfs/dbraw/zinc/58/72/61/951587261.db2.gz ILQYMEQTCVQQJF-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1nncc2ccccc21)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575065834 951589847 /nfs/dbraw/zinc/58/98/47/951589847.db2.gz IWHCHQFQEJVHBK-LLVKDONJSA-N -1 1 390.411 0.855 20 0 GCADMM C[C@H](CNC(=O)c1nncc2ccccc21)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575065834 951589856 /nfs/dbraw/zinc/58/98/56/951589856.db2.gz IWHCHQFQEJVHBK-LLVKDONJSA-N -1 1 390.411 0.855 20 0 GCADMM C[C@@H](CNC(=O)c1nccc2cccnc21)Nc1nccnc1-c1nnn[n-]1 ZINC001575066067 951592303 /nfs/dbraw/zinc/59/23/03/951592303.db2.gz DNMWJEGOFJRHEU-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1nccc2cccnc21)Nc1nccnc1-c1nn[n-]n1 ZINC001575066067 951592315 /nfs/dbraw/zinc/59/23/15/951592315.db2.gz DNMWJEGOFJRHEU-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575066348 951595286 /nfs/dbraw/zinc/59/52/86/951595286.db2.gz KMBYRZADMJWKGJ-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575066348 951595296 /nfs/dbraw/zinc/59/52/96/951595296.db2.gz KMBYRZADMJWKGJ-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575067099 951601993 /nfs/dbraw/zinc/60/19/93/951601993.db2.gz IBBUJZZCXWSEDX-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575067205 951603746 /nfs/dbraw/zinc/60/37/46/951603746.db2.gz KFBPGTIEXACZNW-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575067205 951603750 /nfs/dbraw/zinc/60/37/50/951603750.db2.gz KFBPGTIEXACZNW-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575067209 951604634 /nfs/dbraw/zinc/60/46/34/951604634.db2.gz KGQATNIKPMKTCC-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575067209 951604639 /nfs/dbraw/zinc/60/46/39/951604639.db2.gz KGQATNIKPMKTCC-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575067477 951613429 /nfs/dbraw/zinc/61/34/29/951613429.db2.gz TUUNZRGVMONMPD-JTQLQIEISA-N -1 1 383.416 0.566 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575067554 951617217 /nfs/dbraw/zinc/61/72/17/951617217.db2.gz VFSAPFHZDSFOJZ-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575067554 951617224 /nfs/dbraw/zinc/61/72/24/951617224.db2.gz VFSAPFHZDSFOJZ-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1ncc2ccccn21)CNc1nccnc1-c1nnn[n-]1 ZINC001575067650 951619042 /nfs/dbraw/zinc/61/90/42/951619042.db2.gz NOENSFHENOQINV-NSHDSACASA-N -1 1 378.400 0.782 20 0 GCADMM C[C@H](CNC(=O)c1ncc2ccccn21)CNc1nccnc1-c1nn[n-]n1 ZINC001575067650 951619047 /nfs/dbraw/zinc/61/90/47/951619047.db2.gz NOENSFHENOQINV-NSHDSACASA-N -1 1 378.400 0.782 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575067727 951621799 /nfs/dbraw/zinc/62/17/99/951621799.db2.gz XAUAMMUZGDHNIO-ZCFIWIBFSA-N -1 1 383.294 0.316 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575067817 951622765 /nfs/dbraw/zinc/62/27/65/951622765.db2.gz ZRNSFRODKSMRTE-SNVBAGLBSA-N -1 1 384.400 0.577 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575067817 951622777 /nfs/dbraw/zinc/62/27/77/951622777.db2.gz ZRNSFRODKSMRTE-SNVBAGLBSA-N -1 1 384.400 0.577 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067902 951626075 /nfs/dbraw/zinc/62/60/75/951626075.db2.gz RJMJVBUXUBOEAO-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067902 951626083 /nfs/dbraw/zinc/62/60/83/951626083.db2.gz RJMJVBUXUBOEAO-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068295 951634381 /nfs/dbraw/zinc/63/43/81/951634381.db2.gz ZMYDLQGTSGWUNL-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068295 951634389 /nfs/dbraw/zinc/63/43/89/951634389.db2.gz ZMYDLQGTSGWUNL-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1scc2c1OCCO2)Nc1nccnc1-c1nnn[n-]1 ZINC001575068828 951637827 /nfs/dbraw/zinc/63/78/27/951637827.db2.gz CXBMJBYVLVSJPN-QMMMGPOBSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@@H](CNC(=O)c1scc2c1OCCO2)Nc1nccnc1-c1nn[n-]n1 ZINC001575068828 951637833 /nfs/dbraw/zinc/63/78/33/951637833.db2.gz CXBMJBYVLVSJPN-QMMMGPOBSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575069473 951644006 /nfs/dbraw/zinc/64/40/06/951644006.db2.gz JICACOZAMMZBNC-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575069574 951645596 /nfs/dbraw/zinc/64/55/96/951645596.db2.gz KXGZGQVPQDKIRP-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575069574 951645597 /nfs/dbraw/zinc/64/55/97/951645597.db2.gz KXGZGQVPQDKIRP-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575069918 951649318 /nfs/dbraw/zinc/64/93/18/951649318.db2.gz NOAALZAMVXRTNC-QMMMGPOBSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575069918 951649322 /nfs/dbraw/zinc/64/93/22/951649322.db2.gz NOAALZAMVXRTNC-QMMMGPOBSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@@H](CNC(=O)c1scnc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575070618 951652752 /nfs/dbraw/zinc/65/27/52/951652752.db2.gz SPGXVUFFUDXNMT-LURJTMIESA-N -1 1 381.372 0.703 20 0 GCADMM C[C@H](CNC(=O)c1scc2c1OCCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575070889 951654360 /nfs/dbraw/zinc/65/43/60/951654360.db2.gz VFPNUFFKJQTDDE-MRVPVSSYSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@H](CNC(=O)c1scc2c1OCCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575070889 951654365 /nfs/dbraw/zinc/65/43/65/951654365.db2.gz VFPNUFFKJQTDDE-MRVPVSSYSA-N -1 1 388.413 0.720 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NC(=O)c2nc[nH]c(=O)c2Br)C1=O ZINC001595095988 951814003 /nfs/dbraw/zinc/81/40/03/951814003.db2.gz KKTXNKVNDCIUAV-SSDOTTSWSA-N -1 1 387.190 0.140 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575127892 952062559 /nfs/dbraw/zinc/06/25/59/952062559.db2.gz DDYRCYRTEQPKNI-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575128181 952063304 /nfs/dbraw/zinc/06/33/04/952063304.db2.gz GHMDNTNPDIVJFX-QGZVFWFLSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575128181 952063314 /nfs/dbraw/zinc/06/33/14/952063314.db2.gz GHMDNTNPDIVJFX-QGZVFWFLSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575129031 952075278 /nfs/dbraw/zinc/07/52/78/952075278.db2.gz PDFGDROOMMJKKK-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575129031 952075286 /nfs/dbraw/zinc/07/52/86/952075286.db2.gz PDFGDROOMMJKKK-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575129629 952083432 /nfs/dbraw/zinc/08/34/32/952083432.db2.gz XRNZVHZTCPMRAY-SJCJKPOMSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575129629 952083438 /nfs/dbraw/zinc/08/34/38/952083438.db2.gz XRNZVHZTCPMRAY-SJCJKPOMSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575129668 952087101 /nfs/dbraw/zinc/08/71/01/952087101.db2.gz YIASLHJJLJWDKO-DYZYQPBXSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575129668 952087109 /nfs/dbraw/zinc/08/71/09/952087109.db2.gz YIASLHJJLJWDKO-DYZYQPBXSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575133298 952101662 /nfs/dbraw/zinc/10/16/62/952101662.db2.gz DNVMPKVHNIEXKX-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575133298 952101670 /nfs/dbraw/zinc/10/16/70/952101670.db2.gz DNVMPKVHNIEXKX-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575133348 952103250 /nfs/dbraw/zinc/10/32/50/952103250.db2.gz FFEJLYCYQGKIPM-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575133348 952103254 /nfs/dbraw/zinc/10/32/54/952103254.db2.gz FFEJLYCYQGKIPM-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncc(F)cc1F ZINC001575134431 952111126 /nfs/dbraw/zinc/11/11/26/952111126.db2.gz IDDCUIKNKRDXKL-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncc(F)cc1F ZINC001575134431 952111129 /nfs/dbraw/zinc/11/11/29/952111129.db2.gz IDDCUIKNKRDXKL-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575136388 952124485 /nfs/dbraw/zinc/12/44/85/952124485.db2.gz VDPPRVVHBQGUBJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575136388 952124490 /nfs/dbraw/zinc/12/44/90/952124490.db2.gz VDPPRVVHBQGUBJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575136464 952126570 /nfs/dbraw/zinc/12/65/70/952126570.db2.gz VKZJXXFTKCKWTM-OAHLLOKOSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575136931 952131587 /nfs/dbraw/zinc/13/15/87/952131587.db2.gz RZWSNSOOKGLKPO-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575136931 952131593 /nfs/dbraw/zinc/13/15/93/952131593.db2.gz RZWSNSOOKGLKPO-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575137249 952135560 /nfs/dbraw/zinc/13/55/60/952135560.db2.gz VWMMAXDJGFZYNA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575137249 952135566 /nfs/dbraw/zinc/13/55/66/952135566.db2.gz VWMMAXDJGFZYNA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccnc1N(C)C ZINC001575137320 952137478 /nfs/dbraw/zinc/13/74/78/952137478.db2.gz WOTUNNWLERZGBF-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccnc1N(C)C ZINC001575137320 952137480 /nfs/dbraw/zinc/13/74/80/952137480.db2.gz WOTUNNWLERZGBF-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)Nc2cccc3[nH]nnc32)C1 ZINC001602892908 971806065 /nfs/dbraw/zinc/80/60/65/971806065.db2.gz KQFCFTHGOHCVDE-QGZVFWFLSA-N -1 1 391.384 0.987 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575140439 952142037 /nfs/dbraw/zinc/14/20/37/952142037.db2.gz CXCKFWDCACJDIP-JTQLQIEISA-N -1 1 388.382 0.858 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1cccnc1 ZINC001575143101 952149367 /nfs/dbraw/zinc/14/93/67/952149367.db2.gz NAVPERKQSAJCJQ-CYBMUJFWSA-N -1 1 381.444 0.755 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccccn1 ZINC001575142803 952150043 /nfs/dbraw/zinc/15/00/43/952150043.db2.gz MAXVKMPSOBZRKO-CYBMUJFWSA-N -1 1 381.444 0.755 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575143367 952151769 /nfs/dbraw/zinc/15/17/69/952151769.db2.gz PCKCJRDLHRXFIC-KRWDZBQOSA-N -1 1 383.391 0.623 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575143477 952152742 /nfs/dbraw/zinc/15/27/42/952152742.db2.gz ASVFPCWUZAVDFA-LBPRGKRZSA-N -1 1 381.444 0.717 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575143437 952153561 /nfs/dbraw/zinc/15/35/61/952153561.db2.gz AJVSNBIWWLVPOG-MRVPVSSYSA-N -1 1 375.343 0.324 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575143791 952158429 /nfs/dbraw/zinc/15/84/29/952158429.db2.gz RVRXGPUXBRKLRV-JTQLQIEISA-N -1 1 388.382 0.858 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575144165 952162830 /nfs/dbraw/zinc/16/28/30/952162830.db2.gz UOEODXOIQWQWDI-WCQYABFASA-N -1 1 379.428 0.462 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575144279 952164046 /nfs/dbraw/zinc/16/40/46/952164046.db2.gz HORGFMFUULZHGL-VIFPVBQESA-N -1 1 392.374 0.113 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575144257 952164755 /nfs/dbraw/zinc/16/47/55/952164755.db2.gz HLTMVTVUNFYFHD-QMMMGPOBSA-N -1 1 392.374 0.322 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575144238 952165007 /nfs/dbraw/zinc/16/50/07/952165007.db2.gz HCWWUHONKTYCEP-LLVKDONJSA-N -1 1 382.432 0.112 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cncc1F ZINC001575144725 952171134 /nfs/dbraw/zinc/17/11/34/952171134.db2.gz KUWHNRVMWOYUDE-QMMMGPOBSA-N -1 1 375.343 0.324 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575144755 952171145 /nfs/dbraw/zinc/17/11/45/952171145.db2.gz LCPHUWVJAPAFIK-LLVKDONJSA-N -1 1 382.432 0.184 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575144842 952171682 /nfs/dbraw/zinc/17/16/82/952171682.db2.gz YFFMLOUWSLLBOE-GFCCVEGCSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575144841 952172112 /nfs/dbraw/zinc/17/21/12/952172112.db2.gz MUUSJEUBQWAFJM-SECBINFHSA-N -1 1 389.370 0.984 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575144889 952173777 /nfs/dbraw/zinc/17/37/77/952173777.db2.gz NESRIFQAPVHLAX-JTQLQIEISA-N -1 1 383.416 0.518 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575144872 952174571 /nfs/dbraw/zinc/17/45/71/952174571.db2.gz YSFCVICBBRIQRA-OAHLLOKOSA-N -1 1 382.375 0.057 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575145292 952181214 /nfs/dbraw/zinc/18/12/14/952181214.db2.gz VHDWPVYTLCXZGO-NSHDSACASA-N -1 1 382.432 0.112 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575152997 952205111 /nfs/dbraw/zinc/20/51/11/952205111.db2.gz BTDIXWXBROZWLW-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575152997 952205118 /nfs/dbraw/zinc/20/51/18/952205118.db2.gz BTDIXWXBROZWLW-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575153900 952213987 /nfs/dbraw/zinc/21/39/87/952213987.db2.gz LXPCWWKKEMMGAS-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575153900 952213992 /nfs/dbraw/zinc/21/39/92/952213992.db2.gz LXPCWWKKEMMGAS-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575153975 952215320 /nfs/dbraw/zinc/21/53/20/952215320.db2.gz MYEMTHVBEUUHGJ-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575153975 952215325 /nfs/dbraw/zinc/21/53/25/952215325.db2.gz MYEMTHVBEUUHGJ-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575154244 952217570 /nfs/dbraw/zinc/21/75/70/952217570.db2.gz QNKCQLJZUFXTCW-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575154244 952217574 /nfs/dbraw/zinc/21/75/74/952217574.db2.gz QNKCQLJZUFXTCW-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575154428 952223188 /nfs/dbraw/zinc/22/31/88/952223188.db2.gz CTDNJWLDVWIJGG-SFHVURJKSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575154428 952223195 /nfs/dbraw/zinc/22/31/95/952223195.db2.gz CTDNJWLDVWIJGG-SFHVURJKSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1cccnc1 ZINC001575154578 952227667 /nfs/dbraw/zinc/22/76/67/952227667.db2.gz SVVUPUNANHPPRA-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1cccnc1 ZINC001575154578 952227674 /nfs/dbraw/zinc/22/76/74/952227674.db2.gz SVVUPUNANHPPRA-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575154935 952232997 /nfs/dbraw/zinc/23/29/97/952232997.db2.gz ISCXNPDXTBPZNR-KRWDZBQOSA-N -1 1 382.432 0.709 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575154935 952233004 /nfs/dbraw/zinc/23/30/04/952233004.db2.gz ISCXNPDXTBPZNR-KRWDZBQOSA-N -1 1 382.432 0.709 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575155359 952237915 /nfs/dbraw/zinc/23/79/15/952237915.db2.gz LNAQCMICWPWPMT-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575155359 952237923 /nfs/dbraw/zinc/23/79/23/952237923.db2.gz LNAQCMICWPWPMT-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575155451 952239719 /nfs/dbraw/zinc/23/97/19/952239719.db2.gz YONWJUZPCNVRJA-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575155451 952239726 /nfs/dbraw/zinc/23/97/26/952239726.db2.gz YONWJUZPCNVRJA-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575155616 952241785 /nfs/dbraw/zinc/24/17/85/952241785.db2.gz OFZSVSBKIKMBRO-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575155616 952241788 /nfs/dbraw/zinc/24/17/88/952241788.db2.gz OFZSVSBKIKMBRO-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575155891 952244985 /nfs/dbraw/zinc/24/49/85/952244985.db2.gz APTQYEOBPNXTDB-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575155891 952244989 /nfs/dbraw/zinc/24/49/89/952244989.db2.gz APTQYEOBPNXTDB-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575155851 952245857 /nfs/dbraw/zinc/24/58/57/952245857.db2.gz PLBTXAATICGBNC-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575155851 952245863 /nfs/dbraw/zinc/24/58/63/952245863.db2.gz PLBTXAATICGBNC-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575155989 952246621 /nfs/dbraw/zinc/24/66/21/952246621.db2.gz QFRZVBIYYDEMMY-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575155989 952246625 /nfs/dbraw/zinc/24/66/25/952246625.db2.gz QFRZVBIYYDEMMY-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575156013 952247535 /nfs/dbraw/zinc/24/75/35/952247535.db2.gz BFCKCOWSFDGDDM-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575156013 952247541 /nfs/dbraw/zinc/24/75/41/952247541.db2.gz BFCKCOWSFDGDDM-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575156385 952251394 /nfs/dbraw/zinc/25/13/94/952251394.db2.gz FEWBOCCZAMNEFY-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575156385 952251401 /nfs/dbraw/zinc/25/14/01/952251401.db2.gz FEWBOCCZAMNEFY-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccn2ccnc12 ZINC001575156499 952253295 /nfs/dbraw/zinc/25/32/95/952253295.db2.gz GIOTUEXVLMRXPB-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccn2ccnc12 ZINC001575156499 952253300 /nfs/dbraw/zinc/25/33/00/952253300.db2.gz GIOTUEXVLMRXPB-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575156622 952254614 /nfs/dbraw/zinc/25/46/14/952254614.db2.gz GVFDXUBWTFPVNW-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575156622 952254622 /nfs/dbraw/zinc/25/46/22/952254622.db2.gz GVFDXUBWTFPVNW-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575156604 952255489 /nfs/dbraw/zinc/25/54/89/952255489.db2.gz GJRPICFHBXIONM-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575156604 952255491 /nfs/dbraw/zinc/25/54/91/952255491.db2.gz GJRPICFHBXIONM-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575157266 952262532 /nfs/dbraw/zinc/26/25/32/952262532.db2.gz KPYFNDAZCFKXJK-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575157266 952262537 /nfs/dbraw/zinc/26/25/37/952262537.db2.gz KPYFNDAZCFKXJK-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575157308 952262972 /nfs/dbraw/zinc/26/29/72/952262972.db2.gz LBJNCZWOUODKCD-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575157308 952262977 /nfs/dbraw/zinc/26/29/77/952262977.db2.gz LBJNCZWOUODKCD-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575157330 952263189 /nfs/dbraw/zinc/26/31/89/952263189.db2.gz LHQRAVBMURTSCA-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575157330 952263194 /nfs/dbraw/zinc/26/31/94/952263194.db2.gz LHQRAVBMURTSCA-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccn2nccc12 ZINC001575157354 952264496 /nfs/dbraw/zinc/26/44/96/952264496.db2.gz LTEAEFRSBKUPLK-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccn2nccc12 ZINC001575157354 952264499 /nfs/dbraw/zinc/26/44/99/952264499.db2.gz LTEAEFRSBKUPLK-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575157412 952265437 /nfs/dbraw/zinc/26/54/37/952265437.db2.gz MRXDAFJTCHAIQA-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575157412 952265443 /nfs/dbraw/zinc/26/54/43/952265443.db2.gz MRXDAFJTCHAIQA-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575157391 952265505 /nfs/dbraw/zinc/26/55/05/952265505.db2.gz ZWBJAILQPVSZNT-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575157391 952265509 /nfs/dbraw/zinc/26/55/09/952265509.db2.gz ZWBJAILQPVSZNT-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575158315 952269227 /nfs/dbraw/zinc/26/92/27/952269227.db2.gz SVTLXHHXIOXCAL-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575158315 952269231 /nfs/dbraw/zinc/26/92/31/952269231.db2.gz SVTLXHHXIOXCAL-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575158057 952270303 /nfs/dbraw/zinc/27/03/03/952270303.db2.gz RNRGQGSZTOODRU-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575158057 952270310 /nfs/dbraw/zinc/27/03/10/952270310.db2.gz RNRGQGSZTOODRU-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575158398 952271458 /nfs/dbraw/zinc/27/14/58/952271458.db2.gz UREAISJAFTWHDC-MNOVXSKESA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575158398 952271462 /nfs/dbraw/zinc/27/14/62/952271462.db2.gz UREAISJAFTWHDC-MNOVXSKESA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)CCCC(N)=O ZINC001575164567 952294555 /nfs/dbraw/zinc/29/45/55/952294555.db2.gz FTAHNGPHGMQMJD-SSDOTTSWSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)CCCC(N)=O ZINC001575164567 952294563 /nfs/dbraw/zinc/29/45/63/952294563.db2.gz FTAHNGPHGMQMJD-SSDOTTSWSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)CCCC(N)=O ZINC001575164571 952295618 /nfs/dbraw/zinc/29/56/18/952295618.db2.gz FTAHNGPHGMQMJD-ZETCQYMHSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)CCCC(N)=O ZINC001575164571 952295623 /nfs/dbraw/zinc/29/56/23/952295623.db2.gz FTAHNGPHGMQMJD-ZETCQYMHSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575166505 952325343 /nfs/dbraw/zinc/32/53/43/952325343.db2.gz WXSBLBQDFJBSPG-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575166505 952325351 /nfs/dbraw/zinc/32/53/51/952325351.db2.gz WXSBLBQDFJBSPG-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575173851 952358428 /nfs/dbraw/zinc/35/84/28/952358428.db2.gz BHDXVLOAZLOETA-YVEFUNNKSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575173851 952358437 /nfs/dbraw/zinc/35/84/37/952358437.db2.gz BHDXVLOAZLOETA-YVEFUNNKSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ncccc1O)C1CC1 ZINC001575173897 952359171 /nfs/dbraw/zinc/35/91/71/952359171.db2.gz CJNUFRWKKRYRCT-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[nH]n1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575173897 952359179 /nfs/dbraw/zinc/35/91/79/952359179.db2.gz CJNUFRWKKRYRCT-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575173985 952361868 /nfs/dbraw/zinc/36/18/68/952361868.db2.gz DTEXVZXAKCXUGL-SMDDNHRTSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575173985 952361875 /nfs/dbraw/zinc/36/18/75/952361875.db2.gz DTEXVZXAKCXUGL-SMDDNHRTSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575174737 952379195 /nfs/dbraw/zinc/37/91/95/952379195.db2.gz RVAYHLHTTGJVOG-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575174737 952379202 /nfs/dbraw/zinc/37/92/02/952379202.db2.gz RVAYHLHTTGJVOG-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575174892 952380747 /nfs/dbraw/zinc/38/07/47/952380747.db2.gz TVIWIDDITORYCS-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575174892 952380752 /nfs/dbraw/zinc/38/07/52/952380752.db2.gz TVIWIDDITORYCS-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575176557 952393556 /nfs/dbraw/zinc/39/35/56/952393556.db2.gz DSFPYCLDOZNLDD-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575176557 952393562 /nfs/dbraw/zinc/39/35/62/952393562.db2.gz DSFPYCLDOZNLDD-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1noc2c1COCC2 ZINC001575177662 952402348 /nfs/dbraw/zinc/40/23/48/952402348.db2.gz IRICQGKXIAWMIR-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575177662 952402352 /nfs/dbraw/zinc/40/23/52/952402352.db2.gz IRICQGKXIAWMIR-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(CC(=O)NCC(=O)[O-])CC2)C1 ZINC001602903106 971830333 /nfs/dbraw/zinc/83/03/33/971830333.db2.gz LHQUDJFZTURRDP-HUUCEWRRSA-N -1 1 399.488 0.972 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575177740 952402591 /nfs/dbraw/zinc/40/25/91/952402591.db2.gz JJDFZAFWIVGCBS-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575177740 952402595 /nfs/dbraw/zinc/40/25/95/952402595.db2.gz JJDFZAFWIVGCBS-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575177628 952402769 /nfs/dbraw/zinc/40/27/69/952402769.db2.gz IOEHKCWJIPAXHA-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575177628 952402772 /nfs/dbraw/zinc/40/27/72/952402772.db2.gz IOEHKCWJIPAXHA-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575178737 952407750 /nfs/dbraw/zinc/40/77/50/952407750.db2.gz MAJNYZKLASONMT-SFYZADRCSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575178737 952407755 /nfs/dbraw/zinc/40/77/55/952407755.db2.gz MAJNYZKLASONMT-SFYZADRCSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575178774 952407855 /nfs/dbraw/zinc/40/78/55/952407855.db2.gz MUKHXBXTRRUBHC-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575178774 952407860 /nfs/dbraw/zinc/40/78/60/952407860.db2.gz MUKHXBXTRRUBHC-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575178813 952408779 /nfs/dbraw/zinc/40/87/79/952408779.db2.gz NOGXYUNACIZFNV-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575178813 952408785 /nfs/dbraw/zinc/40/87/85/952408785.db2.gz NOGXYUNACIZFNV-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575178844 952408918 /nfs/dbraw/zinc/40/89/18/952408918.db2.gz OBZPIZWCXQTHIA-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575178844 952408926 /nfs/dbraw/zinc/40/89/26/952408926.db2.gz OBZPIZWCXQTHIA-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575178837 952409333 /nfs/dbraw/zinc/40/93/33/952409333.db2.gz OBZPIZWCXQTHIA-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575178837 952409335 /nfs/dbraw/zinc/40/93/35/952409335.db2.gz OBZPIZWCXQTHIA-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ncn(C)n1 ZINC001575180129 952415640 /nfs/dbraw/zinc/41/56/40/952415640.db2.gz RWUPEOVDKBTNNR-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ncn(C)n1 ZINC001575180129 952415642 /nfs/dbraw/zinc/41/56/42/952415642.db2.gz RWUPEOVDKBTNNR-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001575184923 952425016 /nfs/dbraw/zinc/42/50/16/952425016.db2.gz HLXQWBRWLGULQF-MRVPVSSYSA-N -1 1 379.377 0.777 20 0 GCADMM C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575185652 952433859 /nfs/dbraw/zinc/43/38/59/952433859.db2.gz TWSAIGMHHNXIHD-YFKPBYRVSA-N -1 1 379.855 0.873 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575187467 952441559 /nfs/dbraw/zinc/44/15/59/952441559.db2.gz BSOLOKCTGLGXRY-PNESKVBLSA-N -1 1 382.428 0.952 20 0 GCADMM C[C@H](Cc1ccc(F)cc1)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575188058 952446370 /nfs/dbraw/zinc/44/63/70/952446370.db2.gz GWVKOYYNQSXOFR-SNVBAGLBSA-N -1 1 387.375 0.263 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575189339 952456356 /nfs/dbraw/zinc/45/63/56/952456356.db2.gz NMTLQROAMRQIQM-NWDGAFQWSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575189339 952456361 /nfs/dbraw/zinc/45/63/61/952456361.db2.gz NMTLQROAMRQIQM-NWDGAFQWSA-N -1 1 386.416 0.360 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](n2ccnn2)CC1 ZINC001571117036 952479207 /nfs/dbraw/zinc/47/92/07/952479207.db2.gz GDONFDAALRVVOG-NSHDSACASA-N -1 1 375.418 0.269 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](n2ccnn2)CC1 ZINC001571117036 952479211 /nfs/dbraw/zinc/47/92/11/952479211.db2.gz GDONFDAALRVVOG-NSHDSACASA-N -1 1 375.418 0.269 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2O)co1 ZINC001571117609 952483006 /nfs/dbraw/zinc/48/30/06/952483006.db2.gz NTNRMOCPMUITRS-MNOVXSKESA-N -1 1 375.414 0.513 20 0 GCADMM CC(C)(CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cccs1 ZINC001571118382 952488170 /nfs/dbraw/zinc/48/81/70/952488170.db2.gz WNLFORSTVSPGPV-UHFFFAOYSA-N -1 1 375.414 0.285 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCCc1ccccc1Cl ZINC001571119357 952489660 /nfs/dbraw/zinc/48/96/60/952489660.db2.gz ACLIFGLYYVRWNP-UHFFFAOYSA-N -1 1 375.776 0.141 20 0 GCADMM O=C(C1C=CC=CC=C1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571119585 952492006 /nfs/dbraw/zinc/49/20/06/952492006.db2.gz DBHPUWBJYURGNJ-LSDHHAIUSA-N -1 1 376.424 0.992 20 0 GCADMM O=C(C1C=CC=CC=C1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571119585 952492009 /nfs/dbraw/zinc/49/20/09/952492009.db2.gz DBHPUWBJYURGNJ-LSDHHAIUSA-N -1 1 376.424 0.992 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCOC2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571119710 952493579 /nfs/dbraw/zinc/49/35/79/952493579.db2.gz DWGXGIIIPMASDP-USBNGQNGSA-N -1 1 376.396 0.259 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCOC2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571119710 952493584 /nfs/dbraw/zinc/49/35/84/952493584.db2.gz DWGXGIIIPMASDP-USBNGQNGSA-N -1 1 376.396 0.259 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC001571119786 952493998 /nfs/dbraw/zinc/49/39/98/952493998.db2.gz FPQPBLJJHGXOLC-JQWIXIFHSA-N -1 1 376.421 0.747 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC001571119786 952494004 /nfs/dbraw/zinc/49/40/04/952494004.db2.gz FPQPBLJJHGXOLC-JQWIXIFHSA-N -1 1 376.421 0.747 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC2(F)F)n1 ZINC001571119776 952494183 /nfs/dbraw/zinc/49/41/83/952494183.db2.gz DPWGPLUJENTTFC-KLBPJQLPSA-N -1 1 376.371 0.561 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC2(F)F)n1 ZINC001571119776 952494192 /nfs/dbraw/zinc/49/41/92/952494192.db2.gz DPWGPLUJENTTFC-KLBPJQLPSA-N -1 1 376.371 0.561 20 0 GCADMM COc1nc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571119870 952495390 /nfs/dbraw/zinc/49/53/90/952495390.db2.gz GXXXRGPMNFWATQ-MRVPVSSYSA-N -1 1 376.402 0.955 20 0 GCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)C2CCCCCC2)c(=O)n1CCO ZINC001571120203 952500296 /nfs/dbraw/zinc/50/02/96/952500296.db2.gz KYEXZHIETQRIBW-UHFFFAOYSA-N -1 1 376.417 0.030 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571120532 952504657 /nfs/dbraw/zinc/50/46/57/952504657.db2.gz MZGPXOGVOSPITQ-ZMLRMANQSA-N -1 1 376.371 0.882 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571120532 952504660 /nfs/dbraw/zinc/50/46/60/952504660.db2.gz MZGPXOGVOSPITQ-ZMLRMANQSA-N -1 1 376.371 0.882 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571120724 952506579 /nfs/dbraw/zinc/50/65/79/952506579.db2.gz QDGDTSLKJBDCPS-JQWIXIFHSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571120724 952506584 /nfs/dbraw/zinc/50/65/84/952506584.db2.gz QDGDTSLKJBDCPS-JQWIXIFHSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571120727 952507167 /nfs/dbraw/zinc/50/71/67/952507167.db2.gz QDGDTSLKJBDCPS-ZYHUDNBSSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571120727 952507172 /nfs/dbraw/zinc/50/71/72/952507172.db2.gz QDGDTSLKJBDCPS-ZYHUDNBSSA-N -1 1 376.396 0.434 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)[C@]1(F)CCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571120688 952507270 /nfs/dbraw/zinc/50/72/70/952507270.db2.gz PQCSZVQXPBTGQB-BZNIZROVSA-N -1 1 376.396 0.213 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)[C@]1(F)CCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571120688 952507277 /nfs/dbraw/zinc/50/72/77/952507277.db2.gz PQCSZVQXPBTGQB-BZNIZROVSA-N -1 1 376.396 0.213 20 0 GCADMM C[C@]1(NC(=O)c2cc(Cl)no2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120748 952508624 /nfs/dbraw/zinc/50/86/24/952508624.db2.gz PFPHNQMEJMUCBG-AWEZNQCLSA-N -1 1 375.780 0.697 20 0 GCADMM C[C@]1(NC(=O)c2cc(Cl)no2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120748 952508631 /nfs/dbraw/zinc/50/86/31/952508631.db2.gz PFPHNQMEJMUCBG-AWEZNQCLSA-N -1 1 375.780 0.697 20 0 GCADMM CC1(C)CCCC[C@H]1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571120910 952511224 /nfs/dbraw/zinc/51/12/24/952511224.db2.gz TYTHXXRWCJGRNL-LLVKDONJSA-N -1 1 376.421 0.397 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)c(F)c1)N1CCOc2ncccc2C1 ZINC001571121123 952514761 /nfs/dbraw/zinc/51/47/61/952514761.db2.gz WNHCZHNODANFQP-UHFFFAOYSA-N -1 1 376.373 0.984 20 0 GCADMM CC[C@H](OC)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571121200 952516763 /nfs/dbraw/zinc/51/67/63/952516763.db2.gz XQJJNRMZNSMTRA-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM CC[C@H](OC)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571121200 952516766 /nfs/dbraw/zinc/51/67/66/952516766.db2.gz XQJJNRMZNSMTRA-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM CC[C@@H](OC)C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571121288 952517857 /nfs/dbraw/zinc/51/78/57/952517857.db2.gz XQJJNRMZNSMTRA-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM CC[C@@H](OC)C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571121288 952517863 /nfs/dbraw/zinc/51/78/63/952517863.db2.gz XQJJNRMZNSMTRA-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575202992 952517893 /nfs/dbraw/zinc/51/78/93/952517893.db2.gz YJBDYFBUZWYGSF-LBPRGKRZSA-N -1 1 384.448 0.164 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575202992 952517899 /nfs/dbraw/zinc/51/78/99/952517899.db2.gz YJBDYFBUZWYGSF-LBPRGKRZSA-N -1 1 384.448 0.164 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001575203285 952520098 /nfs/dbraw/zinc/52/00/98/952520098.db2.gz SPKKRPIAVBBYPM-KBNOKHGBSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001575203285 952520103 /nfs/dbraw/zinc/52/01/03/952520103.db2.gz SPKKRPIAVBBYPM-KBNOKHGBSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575205963 952526537 /nfs/dbraw/zinc/52/65/37/952526537.db2.gz FZVWWVGKZMQAIS-WCFLWFBJSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575205963 952526541 /nfs/dbraw/zinc/52/65/41/952526541.db2.gz FZVWWVGKZMQAIS-WCFLWFBJSA-N -1 1 382.432 0.328 20 0 GCADMM Cc1nsc(NC[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC001571123109 952528313 /nfs/dbraw/zinc/52/83/13/952528313.db2.gz OZUOTJAUDYUXRD-AEJSXWLSSA-N -1 1 376.446 0.156 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571123141 952528844 /nfs/dbraw/zinc/52/88/44/952528844.db2.gz QCYRACJVETWSOF-RYUDHWBXSA-N -1 1 376.442 0.382 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC001571123799 952532478 /nfs/dbraw/zinc/53/24/78/952532478.db2.gz WENJNWOUKARWJZ-JTQLQIEISA-N -1 1 376.446 0.267 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575207476 952533370 /nfs/dbraw/zinc/53/33/70/952533370.db2.gz QHENPSNCLFXONW-RYUDHWBXSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575207476 952533377 /nfs/dbraw/zinc/53/33/77/952533377.db2.gz QHENPSNCLFXONW-RYUDHWBXSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575207510 952533847 /nfs/dbraw/zinc/53/38/47/952533847.db2.gz QOOQUEDKODYHBT-YWPYICTPSA-N -1 1 396.459 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575207510 952533849 /nfs/dbraw/zinc/53/38/49/952533849.db2.gz QOOQUEDKODYHBT-YWPYICTPSA-N -1 1 396.459 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575207963 952537033 /nfs/dbraw/zinc/53/70/33/952537033.db2.gz XICZVAOFXORTSP-NSHDSACASA-N -1 1 382.432 0.330 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575207963 952537043 /nfs/dbraw/zinc/53/70/43/952537043.db2.gz XICZVAOFXORTSP-NSHDSACASA-N -1 1 382.432 0.330 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1(c2cccnc2)CC1 ZINC001571127019 952548920 /nfs/dbraw/zinc/54/89/20/952548920.db2.gz CQOLAMHYGGNLRD-JOCQHMNTSA-N -1 1 377.412 0.843 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1(c2cccnc2)CC1 ZINC001571127019 952548926 /nfs/dbraw/zinc/54/89/26/952548926.db2.gz CQOLAMHYGGNLRD-JOCQHMNTSA-N -1 1 377.412 0.843 20 0 GCADMM O=C(c1c[nH]cc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571127056 952548967 /nfs/dbraw/zinc/54/89/67/952548967.db2.gz DRMQLPAIZXZCEV-RYUDHWBXSA-N -1 1 377.412 0.966 20 0 GCADMM O=C(c1c[nH]cc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571127056 952548976 /nfs/dbraw/zinc/54/89/76/952548976.db2.gz DRMQLPAIZXZCEV-RYUDHWBXSA-N -1 1 377.412 0.966 20 0 GCADMM O=C(c1cccnc1)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571127149 952550615 /nfs/dbraw/zinc/55/06/15/952550615.db2.gz HFHAFOMSFDXAQY-KGLIPLIRSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(c1cccnc1)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571127149 952550618 /nfs/dbraw/zinc/55/06/18/952550618.db2.gz HFHAFOMSFDXAQY-KGLIPLIRSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ncccn1 ZINC001571127400 952555709 /nfs/dbraw/zinc/55/57/09/952555709.db2.gz GIFMHZDISGCLBX-SSDOTTSWSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ncccn1 ZINC001571127400 952555713 /nfs/dbraw/zinc/55/57/13/952555713.db2.gz GIFMHZDISGCLBX-SSDOTTSWSA-N -1 1 377.821 0.775 20 0 GCADMM O=C([C@H]1CCc2cccnc21)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571127744 952559243 /nfs/dbraw/zinc/55/92/43/952559243.db2.gz MLJMRWXECPNTPB-ZDUSSCGKSA-N -1 1 377.412 0.430 20 0 GCADMM O=C([C@H]1CCc2cccnc21)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571127744 952559249 /nfs/dbraw/zinc/55/92/49/952559249.db2.gz MLJMRWXECPNTPB-ZDUSSCGKSA-N -1 1 377.412 0.430 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571128154 952564806 /nfs/dbraw/zinc/56/48/06/952564806.db2.gz PDGRCVGGMVSFLL-VHSXEESVSA-N -1 1 377.430 0.598 20 0 GCADMM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571128352 952565708 /nfs/dbraw/zinc/56/57/08/952565708.db2.gz RIQDQFULVMJZID-RYUDHWBXSA-N -1 1 377.474 0.953 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001575214923 952567022 /nfs/dbraw/zinc/56/70/22/952567022.db2.gz PQJFZGUTKUAIGC-NXEZZACHSA-N -1 1 382.375 0.004 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001575214923 952567029 /nfs/dbraw/zinc/56/70/29/952567029.db2.gz PQJFZGUTKUAIGC-NXEZZACHSA-N -1 1 382.375 0.004 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571128777 952571245 /nfs/dbraw/zinc/57/12/45/952571245.db2.gz WKRJIWVBUIESMX-CHWSQXEVSA-N -1 1 377.412 0.162 20 0 GCADMM O=C(N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1(c2cccnc2)CC1 ZINC001571128791 952571469 /nfs/dbraw/zinc/57/14/69/952571469.db2.gz WSOOKCIZDSWRCL-ZDUSSCGKSA-N -1 1 377.412 0.796 20 0 GCADMM O=C(N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1(c2cccnc2)CC1 ZINC001571128791 952571473 /nfs/dbraw/zinc/57/14/73/952571473.db2.gz WSOOKCIZDSWRCL-ZDUSSCGKSA-N -1 1 377.412 0.796 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1c[nH]cc1C1CC1 ZINC001571129003 952572149 /nfs/dbraw/zinc/57/21/49/952572149.db2.gz YWLLLUKVZXRGDI-NHAGDIPZSA-N -1 1 377.412 0.727 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccccn1 ZINC001571128974 952572411 /nfs/dbraw/zinc/57/24/11/952572411.db2.gz YJWULDRSCFRNFE-KSSFIOAISA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccccn1 ZINC001571128974 952572414 /nfs/dbraw/zinc/57/24/14/952572414.db2.gz YJWULDRSCFRNFE-KSSFIOAISA-N -1 1 377.412 0.983 20 0 GCADMM O=C(C1CC(F)(F)C1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571129491 952575214 /nfs/dbraw/zinc/57/52/14/952575214.db2.gz FBPGRNIQPFOJPZ-NSHDSACASA-N -1 1 378.387 0.917 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1COc2ccccc21 ZINC001571130768 952582988 /nfs/dbraw/zinc/58/29/88/952582988.db2.gz XCKDWFOWKGXALJ-AAEUAGOBSA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1COc2ccccc21 ZINC001571130768 952582992 /nfs/dbraw/zinc/58/29/92/952582992.db2.gz XCKDWFOWKGXALJ-AAEUAGOBSA-N -1 1 378.396 0.528 20 0 GCADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571130931 952583102 /nfs/dbraw/zinc/58/31/02/952583102.db2.gz YWAVSYXDQWLOGO-VWYCJHECSA-N -1 1 378.387 0.891 20 0 GCADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571130931 952583105 /nfs/dbraw/zinc/58/31/05/952583105.db2.gz YWAVSYXDQWLOGO-VWYCJHECSA-N -1 1 378.387 0.891 20 0 GCADMM CCCC[C@H](O)CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571135072 952599421 /nfs/dbraw/zinc/59/94/21/952599421.db2.gz OYBGROHXFAIQAG-NSHDSACASA-N -1 1 378.437 0.696 20 0 GCADMM CCCC[C@H](O)CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571135072 952599424 /nfs/dbraw/zinc/59/94/24/952599424.db2.gz OYBGROHXFAIQAG-NSHDSACASA-N -1 1 378.437 0.696 20 0 GCADMM NC(=O)c1cccc(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)c1 ZINC001571135568 952605489 /nfs/dbraw/zinc/60/54/89/952605489.db2.gz XFEHEYCINIQWMO-UHFFFAOYSA-N -1 1 378.439 0.647 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135685 952606834 /nfs/dbraw/zinc/60/68/34/952606834.db2.gz AZIFPFGIFYIWOT-CJNGLKHVSA-N -1 1 378.412 0.416 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135685 952606838 /nfs/dbraw/zinc/60/68/38/952606838.db2.gz AZIFPFGIFYIWOT-CJNGLKHVSA-N -1 1 378.412 0.416 20 0 GCADMM O=C(c1ncccn1)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571135729 952607686 /nfs/dbraw/zinc/60/76/86/952607686.db2.gz CDFAGMBBMULKOB-QGZVFWFLSA-N -1 1 378.400 0.189 20 0 GCADMM O=C(c1ncccn1)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571135729 952607689 /nfs/dbraw/zinc/60/76/89/952607689.db2.gz CDFAGMBBMULKOB-QGZVFWFLSA-N -1 1 378.400 0.189 20 0 GCADMM O=C(c1cnccn1)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135699 952608228 /nfs/dbraw/zinc/60/82/28/952608228.db2.gz BGWUKKCGIXSSHK-SMDDNHRTSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1cnccn1)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135699 952608234 /nfs/dbraw/zinc/60/82/34/952608234.db2.gz BGWUKKCGIXSSHK-SMDDNHRTSA-N -1 1 378.400 0.188 20 0 GCADMM Cc1nccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571135995 952610776 /nfs/dbraw/zinc/61/07/76/952610776.db2.gz JZZPRIHJLWUIGA-TXEJJXNPSA-N -1 1 378.400 0.249 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1cncnc1 ZINC001571135998 952611214 /nfs/dbraw/zinc/61/12/14/952611214.db2.gz KCSZVXDASRSCKD-LBPRGKRZSA-N -1 1 378.400 0.236 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)c1ccncn1 ZINC001571136359 952612676 /nfs/dbraw/zinc/61/26/76/952612676.db2.gz OROBVJUFKBEJDU-GTNSWQLSSA-N -1 1 378.400 0.236 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)c1ccncn1 ZINC001571136359 952612678 /nfs/dbraw/zinc/61/26/78/952612678.db2.gz OROBVJUFKBEJDU-GTNSWQLSSA-N -1 1 378.400 0.236 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001571136148 952612733 /nfs/dbraw/zinc/61/27/33/952612733.db2.gz NAUPFROZLBIGPK-WCQYABFASA-N -1 1 378.400 0.106 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001571136148 952612734 /nfs/dbraw/zinc/61/27/34/952612734.db2.gz NAUPFROZLBIGPK-WCQYABFASA-N -1 1 378.400 0.106 20 0 GCADMM O=C(c1ncccn1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136759 952616234 /nfs/dbraw/zinc/61/62/34/952616234.db2.gz UXCVZFWSFLDONW-AAEUAGOBSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1ncccn1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136759 952616238 /nfs/dbraw/zinc/61/62/38/952616238.db2.gz UXCVZFWSFLDONW-AAEUAGOBSA-N -1 1 378.400 0.188 20 0 GCADMM NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571139122 952619634 /nfs/dbraw/zinc/61/96/34/952619634.db2.gz CHWUESVXNMXWEQ-GFCCVEGCSA-N -1 1 379.384 0.082 20 0 GCADMM NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571139122 952619638 /nfs/dbraw/zinc/61/96/38/952619638.db2.gz CHWUESVXNMXWEQ-GFCCVEGCSA-N -1 1 379.384 0.082 20 0 GCADMM CC(=O)[C@H]1CC(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)=NN1c1ccccc1 ZINC001571140768 952628332 /nfs/dbraw/zinc/62/83/32/952628332.db2.gz STMIVNICXJQYNJ-CQSZACIVSA-N -1 1 379.384 0.763 20 0 GCADMM CC(=O)[C@H]1CC(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)=NN1c1ccccc1 ZINC001571140768 952628334 /nfs/dbraw/zinc/62/83/34/952628334.db2.gz STMIVNICXJQYNJ-CQSZACIVSA-N -1 1 379.384 0.763 20 0 GCADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)c1-c1nn[n-]n1 ZINC001571142309 952639611 /nfs/dbraw/zinc/63/96/11/952639611.db2.gz OUGNWVIPGXMWJS-HTQZYQBOSA-N -1 1 378.443 0.068 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cnc(Br)cn2)n1 ZINC001571142691 952644881 /nfs/dbraw/zinc/64/48/81/952644881.db2.gz VNGUINDBYFWBNK-UHFFFAOYSA-N -1 1 379.182 0.474 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cnc(Br)cn2)n1 ZINC001571142691 952644887 /nfs/dbraw/zinc/64/48/87/952644887.db2.gz VNGUINDBYFWBNK-UHFFFAOYSA-N -1 1 379.182 0.474 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cc2c([nH]1)CCC2 ZINC001571146362 952649275 /nfs/dbraw/zinc/64/92/75/952649275.db2.gz GRNHUFIVUPMEDW-LLVKDONJSA-N -1 1 379.428 0.730 20 0 GCADMM O=C(c1cc2c([nH]1)CCCC2)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571146883 952654524 /nfs/dbraw/zinc/65/45/24/952654524.db2.gz OTAKOKFBEOKZDL-LBPRGKRZSA-N -1 1 379.428 0.612 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001571146925 952654696 /nfs/dbraw/zinc/65/46/96/952654696.db2.gz CXQTVLHIFPQXRN-OCCSQVGLSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001571146925 952654698 /nfs/dbraw/zinc/65/46/98/952654698.db2.gz CXQTVLHIFPQXRN-OCCSQVGLSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccncc2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571146965 952655143 /nfs/dbraw/zinc/65/51/43/952655143.db2.gz DXWHVIAVICAXQH-GXTWGEPZSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccncc2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571146965 952655147 /nfs/dbraw/zinc/65/51/47/952655147.db2.gz DXWHVIAVICAXQH-GXTWGEPZSA-N -1 1 379.428 0.943 20 0 GCADMM O=C(CCn1cccc1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571147438 952661778 /nfs/dbraw/zinc/66/17/78/952661778.db2.gz YCLVPCMYNGTMEM-OKILXGFUSA-N -1 1 379.428 0.443 20 0 GCADMM O=C(CCn1cccc1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571147438 952661783 /nfs/dbraw/zinc/66/17/83/952661783.db2.gz YCLVPCMYNGTMEM-OKILXGFUSA-N -1 1 379.428 0.443 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccncc2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571147746 952663354 /nfs/dbraw/zinc/66/33/54/952663354.db2.gz PISZQDGFDVLFMY-TZMCWYRMSA-N -1 1 379.428 0.826 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571147748 952663551 /nfs/dbraw/zinc/66/35/51/952663551.db2.gz PJTHKWWERNEGBA-UONOGXRCSA-N -1 1 379.428 0.768 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571147748 952663552 /nfs/dbraw/zinc/66/35/52/952663552.db2.gz PJTHKWWERNEGBA-UONOGXRCSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571147988 952664262 /nfs/dbraw/zinc/66/42/62/952664262.db2.gz SJWDKYRUVHYJOU-OCCSQVGLSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571147988 952664266 /nfs/dbraw/zinc/66/42/66/952664266.db2.gz SJWDKYRUVHYJOU-OCCSQVGLSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cccnc2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571147876 952664274 /nfs/dbraw/zinc/66/42/74/952664274.db2.gz RNXJSQUFXJRKNF-JSGCOSHPSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cccnc2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571147876 952664277 /nfs/dbraw/zinc/66/42/77/952664277.db2.gz RNXJSQUFXJRKNF-JSGCOSHPSA-N -1 1 379.428 0.943 20 0 GCADMM CCc1cncc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571148001 952664678 /nfs/dbraw/zinc/66/46/78/952664678.db2.gz SYSVUIIQOKREET-CQSZACIVSA-N -1 1 379.428 0.753 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001571148042 952665262 /nfs/dbraw/zinc/66/52/62/952665262.db2.gz UAABTLSHUBPNBB-MELADBBJSA-N -1 1 379.428 0.899 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)c3ncccc3C)CC2)n1 ZINC001571148067 952665353 /nfs/dbraw/zinc/66/53/53/952665353.db2.gz UGHYLODVFZQTHU-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)c3ncccc3C)CC2)n1 ZINC001571148067 952665355 /nfs/dbraw/zinc/66/53/55/952665355.db2.gz UGHYLODVFZQTHU-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001571148321 952666266 /nfs/dbraw/zinc/66/62/66/952666266.db2.gz YNJMVUQEYVOTFJ-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001571148321 952666268 /nfs/dbraw/zinc/66/62/68/952666268.db2.gz YNJMVUQEYVOTFJ-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001571148437 952667536 /nfs/dbraw/zinc/66/75/36/952667536.db2.gz ZNQZXBJDHCAWSI-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001571148437 952667540 /nfs/dbraw/zinc/66/75/40/952667540.db2.gz ZNQZXBJDHCAWSI-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001571148448 952667565 /nfs/dbraw/zinc/66/75/65/952667565.db2.gz ZSENZBHKUPDNIB-IHRRRGAJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001571148448 952667569 /nfs/dbraw/zinc/66/75/69/952667569.db2.gz ZSENZBHKUPDNIB-IHRRRGAJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](Sc1nc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cs1)C(N)=O ZINC001571151405 952675798 /nfs/dbraw/zinc/67/57/98/952675798.db2.gz PYMBTGUQQCSMNC-YFKPBYRVSA-N -1 1 379.431 0.193 20 0 GCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccc2c(c1)C(=O)NCCO2 ZINC001571151991 952679762 /nfs/dbraw/zinc/67/97/62/952679762.db2.gz ATXTXWMJFYVGCR-UHFFFAOYSA-N -1 1 380.368 0.842 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571152885 952684170 /nfs/dbraw/zinc/68/41/70/952684170.db2.gz KENJNMVWGBQUMX-ZETCQYMHSA-N -1 1 379.837 0.637 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571152885 952684172 /nfs/dbraw/zinc/68/41/72/952684172.db2.gz KENJNMVWGBQUMX-ZETCQYMHSA-N -1 1 379.837 0.637 20 0 GCADMM C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571155231 952694926 /nfs/dbraw/zinc/69/49/26/952694926.db2.gz LHYAGIKDHAQHBJ-CYBMUJFWSA-N -1 1 380.412 0.773 20 0 GCADMM C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571155231 952694931 /nfs/dbraw/zinc/69/49/31/952694931.db2.gz LHYAGIKDHAQHBJ-CYBMUJFWSA-N -1 1 380.412 0.773 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)Cc1ccccc1 ZINC001571155341 952695703 /nfs/dbraw/zinc/69/57/03/952695703.db2.gz ORMHLPBQGPREBX-HUUCEWRRSA-N -1 1 380.412 0.219 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)Cc1ccccc1 ZINC001571155341 952695704 /nfs/dbraw/zinc/69/57/04/952695704.db2.gz ORMHLPBQGPREBX-HUUCEWRRSA-N -1 1 380.412 0.219 20 0 GCADMM Cc1cc(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)cc(C)n1 ZINC001571156047 952701349 /nfs/dbraw/zinc/70/13/49/952701349.db2.gz BTBAWHQUGVNAHD-UHFFFAOYSA-N -1 1 379.428 0.807 20 0 GCADMM Cc1cncc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571156620 952701994 /nfs/dbraw/zinc/70/19/94/952701994.db2.gz FINZVZGVIIUMJO-GOSISDBHSA-N -1 1 379.428 0.746 20 0 GCADMM Cc1cnccc1C(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571156710 952703887 /nfs/dbraw/zinc/70/38/87/952703887.db2.gz HLBRKGVSXSMXDD-STQMWFEESA-N -1 1 379.428 0.935 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571157965 952708829 /nfs/dbraw/zinc/70/88/29/952708829.db2.gz OTJJSYPTYMMGRC-CQSZACIVSA-N -1 1 379.428 0.688 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)c(C)[nH]1 ZINC001571158142 952709971 /nfs/dbraw/zinc/70/99/71/952709971.db2.gz SCOQCHNEGGHCCO-BETUJISGSA-N -1 1 379.428 0.810 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](CNC(=O)c3ccccc3)C2)n1 ZINC001571158338 952711231 /nfs/dbraw/zinc/71/12/31/952711231.db2.gz HSJOFBYIVQPNMZ-AWEZNQCLSA-N -1 1 380.412 0.600 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](CNC(=O)c3ccccc3)C2)n1 ZINC001571158338 952711237 /nfs/dbraw/zinc/71/12/37/952711237.db2.gz HSJOFBYIVQPNMZ-AWEZNQCLSA-N -1 1 380.412 0.600 20 0 GCADMM COc1ccccc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571158285 952711765 /nfs/dbraw/zinc/71/17/65/952711765.db2.gz GGAMDYAAJLKWJR-TXEJJXNPSA-N -1 1 380.412 0.708 20 0 GCADMM COc1ccccc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571158478 952712418 /nfs/dbraw/zinc/71/24/18/952712418.db2.gz IYCMGAXXOZUIAB-LBPRGKRZSA-N -1 1 380.412 0.804 20 0 GCADMM O=C(Cc1ccco1)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571160348 952725888 /nfs/dbraw/zinc/72/58/88/952725888.db2.gz HNMFAKPMLLHMEC-OLZOCXBDSA-N -1 1 380.412 0.777 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571160871 952728221 /nfs/dbraw/zinc/72/82/21/952728221.db2.gz NUJXDRUSDFIZQK-XYYAHUGASA-N -1 1 380.412 0.979 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571160871 952728224 /nfs/dbraw/zinc/72/82/24/952728224.db2.gz NUJXDRUSDFIZQK-XYYAHUGASA-N -1 1 380.412 0.979 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(C)n2)C3)n1 ZINC001571161783 952733919 /nfs/dbraw/zinc/73/39/19/952733919.db2.gz AAGFDEUTUZJEPP-QKCSRTOESA-N -1 1 380.416 0.238 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn(C)n2)C3)n1 ZINC001571161783 952733921 /nfs/dbraw/zinc/73/39/21/952733921.db2.gz AAGFDEUTUZJEPP-QKCSRTOESA-N -1 1 380.416 0.238 20 0 GCADMM CN(C)c1ccnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571161807 952735036 /nfs/dbraw/zinc/73/50/36/952735036.db2.gz BBHUWOIZXNWYEC-LLVKDONJSA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1ccnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571161807 952735038 /nfs/dbraw/zinc/73/50/38/952735038.db2.gz BBHUWOIZXNWYEC-LLVKDONJSA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1ccnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571161817 952735077 /nfs/dbraw/zinc/73/50/77/952735077.db2.gz BEQRRFNOJDTMLG-NSHDSACASA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1ccnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571161817 952735080 /nfs/dbraw/zinc/73/50/80/952735080.db2.gz BEQRRFNOJDTMLG-NSHDSACASA-N -1 1 380.416 0.444 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571161852 952735181 /nfs/dbraw/zinc/73/51/81/952735181.db2.gz CDHKONMLZJMTRS-ZIAGYGMSSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571161852 952735184 /nfs/dbraw/zinc/73/51/84/952735184.db2.gz CDHKONMLZJMTRS-ZIAGYGMSSA-N -1 1 380.416 0.572 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571161818 952735300 /nfs/dbraw/zinc/73/53/00/952735300.db2.gz BEYSZRUJCNISKL-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571161818 952735304 /nfs/dbraw/zinc/73/53/04/952735304.db2.gz BEYSZRUJCNISKL-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571161875 952735696 /nfs/dbraw/zinc/73/56/96/952735696.db2.gz CZNUMAGLYGDMKD-WCQYABFASA-N -1 1 380.416 0.224 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)cn1 ZINC001571161945 952736045 /nfs/dbraw/zinc/73/60/45/952736045.db2.gz FTWQHHMCFCPOAI-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)cn1 ZINC001571161945 952736051 /nfs/dbraw/zinc/73/60/51/952736051.db2.gz FTWQHHMCFCPOAI-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM CN(C)c1ncccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571161884 952736136 /nfs/dbraw/zinc/73/61/36/952736136.db2.gz DHUWNMMALPAJEJ-LLVKDONJSA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1ncccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571161884 952736138 /nfs/dbraw/zinc/73/61/38/952736138.db2.gz DHUWNMMALPAJEJ-LLVKDONJSA-N -1 1 380.416 0.444 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571161931 952736524 /nfs/dbraw/zinc/73/65/24/952736524.db2.gz FKGGWXQTNJXMSO-GTNSWQLSSA-N -1 1 380.416 0.477 20 0 GCADMM Cc1c[nH]c(C(=O)NC2CC3(C2)CC(Nc2ccc(-c4nnn[n-]4)nn2)C3)n1 ZINC001571161986 952736981 /nfs/dbraw/zinc/73/69/81/952736981.db2.gz GWRCSTPGPQAINN-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1c[nH]c(C(=O)NC2CC3(C2)CC(Nc2ccc(-c4nn[n-]n4)nn2)C3)n1 ZINC001571161986 952736989 /nfs/dbraw/zinc/73/69/89/952736989.db2.gz GWRCSTPGPQAINN-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1n[nH]c2c1CCC2 ZINC001571161999 952737140 /nfs/dbraw/zinc/73/71/40/952737140.db2.gz HDUKQYTXOPHLJQ-VHSXEESVSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1n[nH]c2c1CCC2 ZINC001571161999 952737148 /nfs/dbraw/zinc/73/71/48/952737148.db2.gz HDUKQYTXOPHLJQ-VHSXEESVSA-N -1 1 380.416 0.584 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571161980 952737573 /nfs/dbraw/zinc/73/75/73/952737573.db2.gz GWLZINXOLRKYCM-RYUDHWBXSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571161980 952737577 /nfs/dbraw/zinc/73/75/77/952737577.db2.gz GWLZINXOLRKYCM-RYUDHWBXSA-N -1 1 380.416 0.908 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001571162032 952737585 /nfs/dbraw/zinc/73/75/85/952737585.db2.gz IHTWYERVWMVWKP-NSHDSACASA-N -1 1 380.416 0.608 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cnn1 ZINC001571162005 952737821 /nfs/dbraw/zinc/73/78/21/952737821.db2.gz HGLDWFKFZUGFFJ-YPMHNXCESA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cnn1 ZINC001571162005 952737825 /nfs/dbraw/zinc/73/78/25/952737825.db2.gz HGLDWFKFZUGFFJ-YPMHNXCESA-N -1 1 380.416 0.860 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001571162060 952738663 /nfs/dbraw/zinc/73/86/63/952738663.db2.gz IYMYCTHBKDVGCP-DGCLKSJQSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001571162060 952738667 /nfs/dbraw/zinc/73/86/67/952738667.db2.gz IYMYCTHBKDVGCP-DGCLKSJQSA-N -1 1 380.416 0.942 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cnnc(C)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571162047 952738717 /nfs/dbraw/zinc/73/87/17/952738717.db2.gz ITZSOMGKZBWKLU-GFCCVEGCSA-N -1 1 380.416 0.644 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cnnc(C)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571162047 952738721 /nfs/dbraw/zinc/73/87/21/952738721.db2.gz ITZSOMGKZBWKLU-GFCCVEGCSA-N -1 1 380.416 0.644 20 0 GCADMM Cc1ccnc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571162051 952738836 /nfs/dbraw/zinc/73/88/36/952738836.db2.gz IUCLOHZQBRSVCA-LBPRGKRZSA-N -1 1 380.416 0.320 20 0 GCADMM Cc1ccnc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571162051 952738840 /nfs/dbraw/zinc/73/88/40/952738840.db2.gz IUCLOHZQBRSVCA-LBPRGKRZSA-N -1 1 380.416 0.320 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cnnc(C)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571162048 952739025 /nfs/dbraw/zinc/73/90/25/952739025.db2.gz ITZSOMGKZBWKLU-LBPRGKRZSA-N -1 1 380.416 0.644 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cnnc(C)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571162048 952739029 /nfs/dbraw/zinc/73/90/29/952739029.db2.gz ITZSOMGKZBWKLU-LBPRGKRZSA-N -1 1 380.416 0.644 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ncccn2)n1 ZINC001571162102 952739037 /nfs/dbraw/zinc/73/90/37/952739037.db2.gz KASHMOZCZYFZAY-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ncccn2)n1 ZINC001571162102 952739041 /nfs/dbraw/zinc/73/90/41/952739041.db2.gz KASHMOZCZYFZAY-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2C)n1 ZINC001571162195 952739495 /nfs/dbraw/zinc/73/94/95/952739495.db2.gz NOQUPVVGBGJVJN-CMPLNLGQSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2C)n1 ZINC001571162195 952739500 /nfs/dbraw/zinc/73/95/00/952739500.db2.gz NOQUPVVGBGJVJN-CMPLNLGQSA-N -1 1 380.416 0.575 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CCc2cncnc2)C1 ZINC001571162168 952739728 /nfs/dbraw/zinc/73/97/28/952739728.db2.gz MPCUQNPIWSTTIG-ZDUSSCGKSA-N -1 1 380.416 0.117 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CCc2cncnc2)C1 ZINC001571162168 952739734 /nfs/dbraw/zinc/73/97/34/952739734.db2.gz MPCUQNPIWSTTIG-ZDUSSCGKSA-N -1 1 380.416 0.117 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)nn1 ZINC001571162166 952739938 /nfs/dbraw/zinc/73/99/38/952739938.db2.gz MNUCWBPGJMZHEB-ZYHUDNBSSA-N -1 1 380.416 0.257 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)nn1 ZINC001571162166 952739941 /nfs/dbraw/zinc/73/99/41/952739941.db2.gz MNUCWBPGJMZHEB-ZYHUDNBSSA-N -1 1 380.416 0.257 20 0 GCADMM Cc1cc(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571162277 952740556 /nfs/dbraw/zinc/74/05/56/952740556.db2.gz PKYWNVLDSIPGCW-KRWDZBQOSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571162277 952740563 /nfs/dbraw/zinc/74/05/63/952740563.db2.gz PKYWNVLDSIPGCW-KRWDZBQOSA-N -1 1 380.416 0.462 20 0 GCADMM CCc1ncncc1C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571162268 952740739 /nfs/dbraw/zinc/74/07/39/952740739.db2.gz PGBRLJZQUNXMNH-UHFFFAOYSA-N -1 1 380.416 0.148 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn2c1CCC2 ZINC001571162203 952740863 /nfs/dbraw/zinc/74/08/63/952740863.db2.gz NTYLJMUZWJAOTF-JQWIXIFHSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn2c1CCC2 ZINC001571162203 952740866 /nfs/dbraw/zinc/74/08/66/952740866.db2.gz NTYLJMUZWJAOTF-JQWIXIFHSA-N -1 1 380.416 0.515 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)cnn1 ZINC001571162227 952741015 /nfs/dbraw/zinc/74/10/15/952741015.db2.gz OEQCWXOBNQVRPL-YPMHNXCESA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)cnn1 ZINC001571162227 952741019 /nfs/dbraw/zinc/74/10/19/952741019.db2.gz OEQCWXOBNQVRPL-YPMHNXCESA-N -1 1 380.416 0.542 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnccn1 ZINC001571162208 952741233 /nfs/dbraw/zinc/74/12/33/952741233.db2.gz NVMDBUSIAMKVCX-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnccn1 ZINC001571162208 952741235 /nfs/dbraw/zinc/74/12/35/952741235.db2.gz NVMDBUSIAMKVCX-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571162328 952741925 /nfs/dbraw/zinc/74/19/25/952741925.db2.gz QKCZDKSUDGMWTB-BXUZGUMPSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571162328 952741928 /nfs/dbraw/zinc/74/19/28/952741928.db2.gz QKCZDKSUDGMWTB-BXUZGUMPSA-N -1 1 380.416 0.338 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571162298 952742124 /nfs/dbraw/zinc/74/21/24/952742124.db2.gz PUHUGRGDHCKXHH-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571162298 952742127 /nfs/dbraw/zinc/74/21/27/952742127.db2.gz PUHUGRGDHCKXHH-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571162338 952742296 /nfs/dbraw/zinc/74/22/96/952742296.db2.gz QVJYFHQZRHJUNZ-BXKDBHETSA-N -1 1 380.416 0.441 20 0 GCADMM C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571162338 952742302 /nfs/dbraw/zinc/74/23/02/952742302.db2.gz QVJYFHQZRHJUNZ-BXKDBHETSA-N -1 1 380.416 0.441 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)CCc2cnccn2)C1 ZINC001571162354 952742317 /nfs/dbraw/zinc/74/23/17/952742317.db2.gz RHFZBSMIVJHQPA-ZDUSSCGKSA-N -1 1 380.416 0.117 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571162384 952742587 /nfs/dbraw/zinc/74/25/87/952742587.db2.gz SJWOCUPEBJLXCF-ZDUSSCGKSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162384 952742588 /nfs/dbraw/zinc/74/25/88/952742588.db2.gz SJWOCUPEBJLXCF-ZDUSSCGKSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)ncn1 ZINC001571162389 952742768 /nfs/dbraw/zinc/74/27/68/952742768.db2.gz SQGIZNBNMHTUJW-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)ncn1 ZINC001571162389 952742778 /nfs/dbraw/zinc/74/27/78/952742778.db2.gz SQGIZNBNMHTUJW-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM CS(=O)(=O)c1ccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001571162360 952743023 /nfs/dbraw/zinc/74/30/23/952743023.db2.gz RTJUTOAPMVTSNI-UHFFFAOYSA-N -1 1 380.415 0.443 20 0 GCADMM CS(=O)(=O)c1ccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001571162360 952743026 /nfs/dbraw/zinc/74/30/26/952743026.db2.gz RTJUTOAPMVTSNI-UHFFFAOYSA-N -1 1 380.415 0.443 20 0 GCADMM CCc1ncncc1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571162421 952743148 /nfs/dbraw/zinc/74/31/48/952743148.db2.gz TYBDTGGURQFABE-UHFFFAOYSA-N -1 1 380.416 0.630 20 0 GCADMM CCc1ncncc1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571162421 952743152 /nfs/dbraw/zinc/74/31/52/952743152.db2.gz TYBDTGGURQFABE-UHFFFAOYSA-N -1 1 380.416 0.630 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cnn1 ZINC001571162377 952743205 /nfs/dbraw/zinc/74/32/05/952743205.db2.gz SHXHSEDZJQJVGN-CYBMUJFWSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cnn1 ZINC001571162377 952743208 /nfs/dbraw/zinc/74/32/08/952743208.db2.gz SHXHSEDZJQJVGN-CYBMUJFWSA-N -1 1 380.416 0.862 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)c1ccnnc1 ZINC001571162410 952743247 /nfs/dbraw/zinc/74/32/47/952743247.db2.gz SYHVOWMNVHYONY-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)c1ccnnc1 ZINC001571162410 952743251 /nfs/dbraw/zinc/74/32/51/952743251.db2.gz SYHVOWMNVHYONY-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccncn3)C[C@H]2C)n1 ZINC001571162402 952743609 /nfs/dbraw/zinc/74/36/09/952743609.db2.gz STDGZLPDPNHDNG-ZYHUDNBSSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccncn3)C[C@H]2C)n1 ZINC001571162402 952743612 /nfs/dbraw/zinc/74/36/12/952743612.db2.gz STDGZLPDPNHDNG-ZYHUDNBSSA-N -1 1 380.416 0.718 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571162602 952743860 /nfs/dbraw/zinc/74/38/60/952743860.db2.gz WBEFSKIRRJWHNE-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571162602 952743864 /nfs/dbraw/zinc/74/38/64/952743864.db2.gz WBEFSKIRRJWHNE-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)ncn1 ZINC001571162459 952744087 /nfs/dbraw/zinc/74/40/87/952744087.db2.gz USHUSFXYECNSJU-NEPJUHHUSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)ncn1 ZINC001571162459 952744090 /nfs/dbraw/zinc/74/40/90/952744090.db2.gz USHUSFXYECNSJU-NEPJUHHUSA-N -1 1 380.416 0.779 20 0 GCADMM CN(C)c1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571162453 952744537 /nfs/dbraw/zinc/74/45/37/952744537.db2.gz UPPKXAAWGJSZSM-LBPRGKRZSA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571162453 952744542 /nfs/dbraw/zinc/74/45/42/952744542.db2.gz UPPKXAAWGJSZSM-LBPRGKRZSA-N -1 1 380.416 0.444 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001571162633 952744838 /nfs/dbraw/zinc/74/48/38/952744838.db2.gz WSIBLOPLJWHVIA-MWLCHTKSSA-N -1 1 380.416 0.972 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571162658 952745021 /nfs/dbraw/zinc/74/50/21/952745021.db2.gz XJBBVJOCFNRWKE-OTYXRUKQSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571162658 952745026 /nfs/dbraw/zinc/74/50/26/952745026.db2.gz XJBBVJOCFNRWKE-OTYXRUKQSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571162765 952746048 /nfs/dbraw/zinc/74/60/48/952746048.db2.gz ZRRKYUXWIBPTDV-QGZVFWFLSA-N -1 1 380.416 0.431 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571162765 952746052 /nfs/dbraw/zinc/74/60/52/952746052.db2.gz ZRRKYUXWIBPTDV-QGZVFWFLSA-N -1 1 380.416 0.431 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cncnc1 ZINC001571162702 952746270 /nfs/dbraw/zinc/74/62/70/952746270.db2.gz XYNMEYSONGQWLB-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cncnc1 ZINC001571162702 952746273 /nfs/dbraw/zinc/74/62/73/952746273.db2.gz XYNMEYSONGQWLB-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1n[nH]c2c1CCCC2 ZINC001571165038 952747171 /nfs/dbraw/zinc/74/71/71/952747171.db2.gz BJZWSSGJLDHTMD-SNVBAGLBSA-N -1 1 380.416 0.267 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nnn[n-]4)nn2)C3)n1 ZINC001571165201 952748143 /nfs/dbraw/zinc/74/81/43/952748143.db2.gz FTVWQHNHKAGEAA-TUAOUCFPSA-N -1 1 380.416 0.178 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[n-]n4)nn2)C3)n1 ZINC001571165201 952748146 /nfs/dbraw/zinc/74/81/46/952748146.db2.gz FTVWQHNHKAGEAA-TUAOUCFPSA-N -1 1 380.416 0.178 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001571165197 952748240 /nfs/dbraw/zinc/74/82/40/952748240.db2.gz FPYGVBHEFQSIRS-VXGBXAGGSA-N -1 1 380.416 0.269 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]nc1C1CC1 ZINC001571165227 952748736 /nfs/dbraw/zinc/74/87/36/952748736.db2.gz GQASEEAWBNICGI-LLVKDONJSA-N -1 1 380.416 0.656 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)n1 ZINC001571165446 952751006 /nfs/dbraw/zinc/75/10/06/952751006.db2.gz GZQHCDSVTULQLO-PWSUYJOCSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)n1 ZINC001571165446 952751012 /nfs/dbraw/zinc/75/10/12/952751012.db2.gz GZQHCDSVTULQLO-PWSUYJOCSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571165459 952751309 /nfs/dbraw/zinc/75/13/09/952751309.db2.gz HGICQBZYHJDBTQ-GFCCVEGCSA-N -1 1 380.416 0.141 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165556 952751722 /nfs/dbraw/zinc/75/17/22/952751722.db2.gz DUWXAMPHUAZDQA-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165556 952751725 /nfs/dbraw/zinc/75/17/25/952751725.db2.gz DUWXAMPHUAZDQA-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM Cc1ncncc1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571165502 952752195 /nfs/dbraw/zinc/75/21/95/952752195.db2.gz ILUWWAMIWDGYMZ-ZYHUDNBSSA-N -1 1 380.416 0.257 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571165538 952752493 /nfs/dbraw/zinc/75/24/93/952752493.db2.gz JGMRFDWFFQQYDH-GHMZBOCLSA-N -1 1 380.416 0.195 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571165789 952754191 /nfs/dbraw/zinc/75/41/91/952754191.db2.gz KSKHGDVICDVXJG-QGZVFWFLSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571165789 952754194 /nfs/dbraw/zinc/75/41/94/952754194.db2.gz KSKHGDVICDVXJG-QGZVFWFLSA-N -1 1 380.416 0.719 20 0 GCADMM Cn1cnc(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)c1 ZINC001571165840 952755936 /nfs/dbraw/zinc/75/59/36/952755936.db2.gz LXTDJLSXRAFKAO-GFCCVEGCSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1cnc(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)c1 ZINC001571165840 952755940 /nfs/dbraw/zinc/75/59/40/952755940.db2.gz LXTDJLSXRAFKAO-GFCCVEGCSA-N -1 1 380.416 0.179 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnc2n1CCCC2 ZINC001571166108 952758563 /nfs/dbraw/zinc/75/85/63/952758563.db2.gz NYNIAADARIQRLK-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnc2n1CCCC2 ZINC001571166108 952758568 /nfs/dbraw/zinc/75/85/68/952758568.db2.gz NYNIAADARIQRLK-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571166102 952758860 /nfs/dbraw/zinc/75/88/60/952758860.db2.gz NODXTRJWIOIOJT-WCQYABFASA-N -1 1 380.416 0.188 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571166169 952758872 /nfs/dbraw/zinc/75/88/72/952758872.db2.gz PFHNTZFQKVLDRP-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571166169 952758874 /nfs/dbraw/zinc/75/88/74/952758874.db2.gz PFHNTZFQKVLDRP-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1nc(C(=O)N2CC[C@H]3[C@@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571166141 952758908 /nfs/dbraw/zinc/75/89/08/952758908.db2.gz OQCQLULJHNTOIX-FZMZJTMJSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571166139 952758947 /nfs/dbraw/zinc/75/89/47/952758947.db2.gz OOWPIEDVJVOFFT-LBPRGKRZSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571166139 952758949 /nfs/dbraw/zinc/75/89/49/952758949.db2.gz OOWPIEDVJVOFFT-LBPRGKRZSA-N -1 1 380.416 0.354 20 0 GCADMM CCO[C@]12CCC[C@@]1(NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC001571166249 952759944 /nfs/dbraw/zinc/75/99/44/952759944.db2.gz KNKWLZYDBPURLS-CABCVRRESA-N -1 1 380.430 0.616 20 0 GCADMM CCO[C@]12CCC[C@@]1(NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC001571166249 952759947 /nfs/dbraw/zinc/75/99/47/952759947.db2.gz KNKWLZYDBPURLS-CABCVRRESA-N -1 1 380.430 0.616 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ncc2n1CCCC2 ZINC001571166223 952760006 /nfs/dbraw/zinc/76/00/06/952760006.db2.gz QIWYUZJONHIHHW-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ncc2n1CCCC2 ZINC001571166223 952760009 /nfs/dbraw/zinc/76/00/09/952760009.db2.gz QIWYUZJONHIHHW-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM Cn1cncc1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166423 952760550 /nfs/dbraw/zinc/76/05/50/952760550.db2.gz RMEXRNUEQRSNGB-CXAGYDPISA-N -1 1 380.416 0.322 20 0 GCADMM Cn1cncc1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166423 952760555 /nfs/dbraw/zinc/76/05/55/952760555.db2.gz RMEXRNUEQRSNGB-CXAGYDPISA-N -1 1 380.416 0.322 20 0 GCADMM Cc1ncc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c(C)n1 ZINC001571166450 952762006 /nfs/dbraw/zinc/76/20/06/952762006.db2.gz RUDWYRCOFXLYKC-LBPRGKRZSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1ncc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c(C)n1 ZINC001571166450 952762008 /nfs/dbraw/zinc/76/20/08/952762008.db2.gz RUDWYRCOFXLYKC-LBPRGKRZSA-N -1 1 380.416 0.462 20 0 GCADMM O=C(c1cnccn1)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571166638 952762896 /nfs/dbraw/zinc/76/28/96/952762896.db2.gz NUGWBQWXMJDVDS-LBPRGKRZSA-N -1 1 380.416 0.944 20 0 GCADMM O=C(c1cnccn1)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571166638 952762898 /nfs/dbraw/zinc/76/28/98/952762898.db2.gz NUGWBQWXMJDVDS-LBPRGKRZSA-N -1 1 380.416 0.944 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571166596 952763035 /nfs/dbraw/zinc/76/30/35/952763035.db2.gz UDIRXLAVDUAVRN-CMPLNLGQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571166596 952763042 /nfs/dbraw/zinc/76/30/42/952763042.db2.gz UDIRXLAVDUAVRN-CMPLNLGQSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(c1cnccn1)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571166636 952763421 /nfs/dbraw/zinc/76/34/21/952763421.db2.gz NUGWBQWXMJDVDS-GFCCVEGCSA-N -1 1 380.416 0.944 20 0 GCADMM O=C(c1cnccn1)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571166636 952763425 /nfs/dbraw/zinc/76/34/25/952763425.db2.gz NUGWBQWXMJDVDS-GFCCVEGCSA-N -1 1 380.416 0.944 20 0 GCADMM O=C([C@H]1CCc2cncn2C1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166752 952764659 /nfs/dbraw/zinc/76/46/59/952764659.db2.gz VJUDBNYKXLSWAU-RYUDHWBXSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@H]1CCc2cncn2C1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166752 952764665 /nfs/dbraw/zinc/76/46/65/952764665.db2.gz VJUDBNYKXLSWAU-RYUDHWBXSA-N -1 1 380.416 0.129 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571166823 952765788 /nfs/dbraw/zinc/76/57/88/952765788.db2.gz WQKWWPPSVJBHOH-QWHCGFSZSA-N -1 1 380.416 0.543 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571166823 952765792 /nfs/dbraw/zinc/76/57/92/952765792.db2.gz WQKWWPPSVJBHOH-QWHCGFSZSA-N -1 1 380.416 0.543 20 0 GCADMM Cc1ncncc1C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571166941 952767472 /nfs/dbraw/zinc/76/74/72/952767472.db2.gz YVTWYHOVIZQMEZ-UHFFFAOYSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ncncc1C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571166941 952767476 /nfs/dbraw/zinc/76/74/76/952767476.db2.gz YVTWYHOVIZQMEZ-UHFFFAOYSA-N -1 1 380.416 0.862 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571166976 952767892 /nfs/dbraw/zinc/76/78/92/952767892.db2.gz ZSQLTGNSXPTRJU-UHFFFAOYSA-N -1 1 380.416 0.230 20 0 GCADMM Cc1ccc(C2(NC(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)CCC2)cc1 ZINC001571170365 952784685 /nfs/dbraw/zinc/78/46/85/952784685.db2.gz HOVGEVPJBODNSG-UHFFFAOYSA-N -1 1 381.396 0.633 20 0 GCADMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571170378 952784777 /nfs/dbraw/zinc/78/47/77/952784777.db2.gz IEMNCIODDRSTMZ-QGZVFWFLSA-N -1 1 381.400 0.722 20 0 GCADMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571170378 952784782 /nfs/dbraw/zinc/78/47/82/952784782.db2.gz IEMNCIODDRSTMZ-QGZVFWFLSA-N -1 1 381.400 0.722 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001571171065 952790320 /nfs/dbraw/zinc/79/03/20/952790320.db2.gz NGDJIIVDJPTKFK-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001571171065 952790323 /nfs/dbraw/zinc/79/03/23/952790323.db2.gz NGDJIIVDJPTKFK-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571171039 952790820 /nfs/dbraw/zinc/79/08/20/952790820.db2.gz MJBLRCSWPBZGIZ-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571171039 952790823 /nfs/dbraw/zinc/79/08/23/952790823.db2.gz MJBLRCSWPBZGIZ-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM CCCc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)co1 ZINC001571171044 952790943 /nfs/dbraw/zinc/79/09/43/952790943.db2.gz MLNZPAATOWZGKU-QWRGUYRKSA-N -1 1 381.400 0.701 20 0 GCADMM CCCc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)co1 ZINC001571171044 952790946 /nfs/dbraw/zinc/79/09/46/952790946.db2.gz MLNZPAATOWZGKU-QWRGUYRKSA-N -1 1 381.400 0.701 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC001571171127 952792020 /nfs/dbraw/zinc/79/20/20/952792020.db2.gz PJNKGVXDZRCYNG-UHFFFAOYSA-N -1 1 381.396 0.944 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571171407 952793076 /nfs/dbraw/zinc/79/30/76/952793076.db2.gz SKMACIKIVKPHPK-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571171407 952793078 /nfs/dbraw/zinc/79/30/78/952793078.db2.gz SKMACIKIVKPHPK-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C2CC2)on1 ZINC001571171619 952795037 /nfs/dbraw/zinc/79/50/37/952795037.db2.gz UCYJKJCBAHWRRG-KOLCDFICSA-N -1 1 381.400 0.659 20 0 GCADMM COc1cc(C)cnc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174572 952809807 /nfs/dbraw/zinc/80/98/07/952809807.db2.gz AUXYLYIVROFRJQ-NSHDSACASA-N -1 1 381.400 0.377 20 0 GCADMM COc1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571174626 952810658 /nfs/dbraw/zinc/81/06/58/952810658.db2.gz CFKXXFPFTALXRC-MNOVXSKESA-N -1 1 381.400 0.458 20 0 GCADMM COc1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571174626 952810666 /nfs/dbraw/zinc/81/06/66/952810666.db2.gz CFKXXFPFTALXRC-MNOVXSKESA-N -1 1 381.400 0.458 20 0 GCADMM Cc1noc(C)c1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571174600 952810995 /nfs/dbraw/zinc/81/09/95/952810995.db2.gz BMJNDENPXJJXRY-YABSGUDNSA-N -1 1 381.400 0.435 20 0 GCADMM Cc1noc(C)c1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571174600 952811000 /nfs/dbraw/zinc/81/10/00/952811000.db2.gz BMJNDENPXJJXRY-YABSGUDNSA-N -1 1 381.400 0.435 20 0 GCADMM COc1cccc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571174628 952811343 /nfs/dbraw/zinc/81/13/43/952811343.db2.gz CGBURNKMNSNKTK-PHIMTYICSA-N -1 1 381.400 0.103 20 0 GCADMM COc1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571174698 952812480 /nfs/dbraw/zinc/81/24/80/952812480.db2.gz FJRJSYVGNDNGAQ-LBPRGKRZSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571174698 952812489 /nfs/dbraw/zinc/81/24/89/952812489.db2.gz FJRJSYVGNDNGAQ-LBPRGKRZSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571174672 952813297 /nfs/dbraw/zinc/81/32/97/952813297.db2.gz DYLQQDSCCTVAIQ-GFCCVEGCSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571174672 952813301 /nfs/dbraw/zinc/81/33/01/952813301.db2.gz DYLQQDSCCTVAIQ-GFCCVEGCSA-N -1 1 381.400 0.459 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2ccon2)n1 ZINC001571174895 952815673 /nfs/dbraw/zinc/81/56/73/952815673.db2.gz LWPGGPMKVMDICW-KGLIPLIRSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2ccon2)n1 ZINC001571174895 952815679 /nfs/dbraw/zinc/81/56/79/952815679.db2.gz LWPGGPMKVMDICW-KGLIPLIRSA-N -1 1 381.400 0.837 20 0 GCADMM COc1ccnc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571175131 952817608 /nfs/dbraw/zinc/81/76/08/952817608.db2.gz QELRYOAMPXCQIV-UHFFFAOYSA-N -1 1 381.400 0.681 20 0 GCADMM COc1ccnc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571175131 952817611 /nfs/dbraw/zinc/81/76/11/952817611.db2.gz QELRYOAMPXCQIV-UHFFFAOYSA-N -1 1 381.400 0.681 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCN(C(=O)c4ccon4)C3)C2)n1 ZINC001571175140 952817899 /nfs/dbraw/zinc/81/78/99/952817899.db2.gz QPXFZWGCPXOBNE-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCN(C(=O)c4ccon4)C3)C2)n1 ZINC001571175140 952817903 /nfs/dbraw/zinc/81/79/03/952817903.db2.gz QPXFZWGCPXOBNE-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001571175120 952818030 /nfs/dbraw/zinc/81/80/30/952818030.db2.gz PVEKJYVQEOBQRL-ZYHUDNBSSA-N -1 1 381.400 0.260 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC001571175120 952818039 /nfs/dbraw/zinc/81/80/39/952818039.db2.gz PVEKJYVQEOBQRL-ZYHUDNBSSA-N -1 1 381.400 0.260 20 0 GCADMM COc1ccnc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571175118 952818187 /nfs/dbraw/zinc/81/81/87/952818187.db2.gz PUQFIWMFFRLACP-XYPYZODXSA-N -1 1 381.400 0.681 20 0 GCADMM COc1ccnc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571175118 952818191 /nfs/dbraw/zinc/81/81/91/952818191.db2.gz PUQFIWMFFRLACP-XYPYZODXSA-N -1 1 381.400 0.681 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)n1 ZINC001571175298 952819855 /nfs/dbraw/zinc/81/98/55/952819855.db2.gz RXARVGNWHKYVLJ-GWCFXTLKSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571175298 952819859 /nfs/dbraw/zinc/81/98/59/952819859.db2.gz RXARVGNWHKYVLJ-GWCFXTLKSA-N -1 1 381.400 0.633 20 0 GCADMM Cc1nocc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571175356 952820584 /nfs/dbraw/zinc/82/05/84/952820584.db2.gz BGDKFEMDGNIYKT-NEPJUHHUSA-N -1 1 381.400 0.528 20 0 GCADMM Cc1nocc1C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571175358 952820826 /nfs/dbraw/zinc/82/08/26/952820826.db2.gz BGDKFEMDGNIYKT-NWDGAFQWSA-N -1 1 381.400 0.528 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)no1 ZINC001571175562 952822139 /nfs/dbraw/zinc/82/21/39/952822139.db2.gz UZDGGBZRDYKVSL-DYEKYZERSA-N -1 1 381.400 0.422 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)no1 ZINC001571175562 952822143 /nfs/dbraw/zinc/82/21/43/952822143.db2.gz UZDGGBZRDYKVSL-DYEKYZERSA-N -1 1 381.400 0.422 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3Cc4cncnc4C3)CC2)o1 ZINC001571175668 952823720 /nfs/dbraw/zinc/82/37/20/952823720.db2.gz DQCXJPCWEMDDDE-UHFFFAOYSA-N -1 1 381.400 0.712 20 0 GCADMM Cc1cc(-c2nn[nH]n2)nc(N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001571175599 952823758 /nfs/dbraw/zinc/82/37/58/952823758.db2.gz WQHZZKHJBSMSFG-BXKDBHETSA-N -1 1 381.400 0.638 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571175622 952824275 /nfs/dbraw/zinc/82/42/75/952824275.db2.gz XJNIMKVWPLQRAK-NSHDSACASA-N -1 1 381.400 0.356 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571175622 952824279 /nfs/dbraw/zinc/82/42/79/952824279.db2.gz XJNIMKVWPLQRAK-NSHDSACASA-N -1 1 381.400 0.356 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnoc1C1CC1 ZINC001571175730 952825427 /nfs/dbraw/zinc/82/54/27/952825427.db2.gz GQXQCVYLXLBTQQ-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM Cn1cccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1=O ZINC001571175741 952825510 /nfs/dbraw/zinc/82/55/10/952825510.db2.gz GTMIBRMISTZZBH-LLVKDONJSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1cccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1=O ZINC001571175741 952825518 /nfs/dbraw/zinc/82/55/18/952825518.db2.gz GTMIBRMISTZZBH-LLVKDONJSA-N -1 1 381.400 0.072 20 0 GCADMM Cc1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)no1 ZINC001571175782 952825914 /nfs/dbraw/zinc/82/59/14/952825914.db2.gz ZRQUXUCPPMBHRK-BETUJISGSA-N -1 1 381.400 0.375 20 0 GCADMM Cc1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)no1 ZINC001571175782 952825918 /nfs/dbraw/zinc/82/59/18/952825918.db2.gz ZRQUXUCPPMBHRK-BETUJISGSA-N -1 1 381.400 0.375 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)c4ccon4)C[C@@H]3C2)n1 ZINC001571175784 952826194 /nfs/dbraw/zinc/82/61/94/952826194.db2.gz ZWRQBTSKMRWXME-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)c4ccon4)C[C@@H]3C2)n1 ZINC001571175784 952826200 /nfs/dbraw/zinc/82/62/00/952826200.db2.gz ZWRQBTSKMRWXME-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM O=C(Cc1cnoc1)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571175972 952827510 /nfs/dbraw/zinc/82/75/10/952827510.db2.gz KHGFHHACFXTTGJ-OLZOCXBDSA-N -1 1 381.400 0.315 20 0 GCADMM O=C(Cc1cnoc1)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571175972 952827513 /nfs/dbraw/zinc/82/75/13/952827513.db2.gz KHGFHHACFXTTGJ-OLZOCXBDSA-N -1 1 381.400 0.315 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ncoc1C1CC1 ZINC001571175960 952827969 /nfs/dbraw/zinc/82/79/69/952827969.db2.gz JQAWGFMQUKJJJJ-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ncoc1C1CC1 ZINC001571175960 952827978 /nfs/dbraw/zinc/82/79/78/952827978.db2.gz JQAWGFMQUKJJJJ-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM Cc1conc1C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571175952 952828106 /nfs/dbraw/zinc/82/81/06/952828106.db2.gz JLRFZRSVSMTFKQ-WCQYABFASA-N -1 1 381.400 0.694 20 0 GCADMM Cc1conc1C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571175952 952828111 /nfs/dbraw/zinc/82/81/11/952828111.db2.gz JLRFZRSVSMTFKQ-WCQYABFASA-N -1 1 381.400 0.694 20 0 GCADMM Cc1conc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571175966 952828401 /nfs/dbraw/zinc/82/84/01/952828401.db2.gz KBAQYZOHISCIGE-QWRGUYRKSA-N -1 1 381.400 0.528 20 0 GCADMM O=C(Cc1cnoc1)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571175973 952828600 /nfs/dbraw/zinc/82/86/00/952828600.db2.gz KHGFHHACFXTTGJ-QWHCGFSZSA-N -1 1 381.400 0.315 20 0 GCADMM O=C(Cc1cnoc1)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571175973 952828604 /nfs/dbraw/zinc/82/86/04/952828604.db2.gz KHGFHHACFXTTGJ-QWHCGFSZSA-N -1 1 381.400 0.315 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1=O ZINC001571176140 952829510 /nfs/dbraw/zinc/82/95/10/952829510.db2.gz MIESIHHSRDKZFT-GFCCVEGCSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1=O ZINC001571176140 952829515 /nfs/dbraw/zinc/82/95/15/952829515.db2.gz MIESIHHSRDKZFT-GFCCVEGCSA-N -1 1 381.400 0.072 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571176169 952829597 /nfs/dbraw/zinc/82/95/97/952829597.db2.gz NKKDJWNPDOKFKM-AAEUAGOBSA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571176169 952829602 /nfs/dbraw/zinc/82/96/02/952829602.db2.gz NKKDJWNPDOKFKM-AAEUAGOBSA-N -1 1 381.400 0.694 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1cocn1 ZINC001571176156 952829715 /nfs/dbraw/zinc/82/97/15/952829715.db2.gz MUARFUCNFZNIRE-IJLUTSLNSA-N -1 1 381.400 0.680 20 0 GCADMM Cn1nc(C2CC2)nc1CC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001571176311 952830736 /nfs/dbraw/zinc/83/07/36/952830736.db2.gz OZESTCPHAXLTAT-UHFFFAOYSA-N -1 1 381.400 0.522 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)n1 ZINC001571176384 952831095 /nfs/dbraw/zinc/83/10/95/952831095.db2.gz QXCHPTRQDVYBKZ-NWDGAFQWSA-N -1 1 381.400 0.333 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)n1 ZINC001571176384 952831097 /nfs/dbraw/zinc/83/10/97/952831097.db2.gz QXCHPTRQDVYBKZ-NWDGAFQWSA-N -1 1 381.400 0.333 20 0 GCADMM O=C(Cc1cnoc1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571176490 952832139 /nfs/dbraw/zinc/83/21/39/952832139.db2.gz RUMCHCHRHWBPLE-KBPBESRZSA-N -1 1 381.400 0.457 20 0 GCADMM O=C(Cc1cnoc1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571176490 952832141 /nfs/dbraw/zinc/83/21/41/952832141.db2.gz RUMCHCHRHWBPLE-KBPBESRZSA-N -1 1 381.400 0.457 20 0 GCADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnc(C2CC2)o1 ZINC001571176590 952833116 /nfs/dbraw/zinc/83/31/16/952833116.db2.gz VKGRHJHBUCDPTI-SNVBAGLBSA-N -1 1 381.400 0.778 20 0 GCADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnc(C2CC2)o1 ZINC001571176590 952833118 /nfs/dbraw/zinc/83/31/18/952833118.db2.gz VKGRHJHBUCDPTI-SNVBAGLBSA-N -1 1 381.400 0.778 20 0 GCADMM Cn1c(=O)cccc1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571176545 952833474 /nfs/dbraw/zinc/83/34/74/952833474.db2.gz UIDKGSDDUZXJAT-UHFFFAOYSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1c(=O)cccc1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571176545 952833481 /nfs/dbraw/zinc/83/34/81/952833481.db2.gz UIDKGSDDUZXJAT-UHFFFAOYSA-N -1 1 381.400 0.072 20 0 GCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cc(C2CC2)on1 ZINC001571176854 952835108 /nfs/dbraw/zinc/83/51/08/952835108.db2.gz YWWRXHCOFIPYIK-UHFFFAOYSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ncoc1C1CC1 ZINC001571176923 952835368 /nfs/dbraw/zinc/83/53/68/952835368.db2.gz ZSNPYEBALAXQBG-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM CCc1c(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571183611 952881305 /nfs/dbraw/zinc/88/13/05/952881305.db2.gz FNVHPASKQUXRHP-GFCCVEGCSA-N -1 1 381.444 0.814 20 0 GCADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001571183618 952881403 /nfs/dbraw/zinc/88/14/03/952881403.db2.gz FRHGJCPIUJUPKZ-UHFFFAOYSA-N -1 1 381.444 0.833 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001571183861 952884048 /nfs/dbraw/zinc/88/40/48/952884048.db2.gz LEOUOCAWVYNMKO-GFCCVEGCSA-N -1 1 381.444 0.688 20 0 GCADMM CN(C[C@H]1CCN(C(=O)CCn2cccc2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571185008 952898171 /nfs/dbraw/zinc/89/81/71/952898171.db2.gz GPUWPNIAEYGTEV-CQSZACIVSA-N -1 1 381.444 0.833 20 0 GCADMM CN(C[C@H]1CCN(C(=O)CCn2cccc2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571185008 952898177 /nfs/dbraw/zinc/89/81/77/952898177.db2.gz GPUWPNIAEYGTEV-CQSZACIVSA-N -1 1 381.444 0.833 20 0 GCADMM Cc1c(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571185267 952901110 /nfs/dbraw/zinc/90/11/10/952901110.db2.gz KGCBEEWYQSWEBP-ZDUSSCGKSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1c(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571185267 952901115 /nfs/dbraw/zinc/90/11/15/952901115.db2.gz KGCBEEWYQSWEBP-ZDUSSCGKSA-N -1 1 381.444 0.950 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571186633 952907382 /nfs/dbraw/zinc/90/73/82/952907382.db2.gz YYYCKMSJMKDWCO-ZDUSSCGKSA-N -1 1 381.444 0.902 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571186633 952907391 /nfs/dbraw/zinc/90/73/91/952907391.db2.gz YYYCKMSJMKDWCO-ZDUSSCGKSA-N -1 1 381.444 0.902 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571186632 952907815 /nfs/dbraw/zinc/90/78/15/952907815.db2.gz YYYCKMSJMKDWCO-CYBMUJFWSA-N -1 1 381.444 0.902 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571186632 952907819 /nfs/dbraw/zinc/90/78/19/952907819.db2.gz YYYCKMSJMKDWCO-CYBMUJFWSA-N -1 1 381.444 0.902 20 0 GCADMM CC(=O)NCc1nc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)cc(=O)[nH]1 ZINC001571192780 952948817 /nfs/dbraw/zinc/94/88/17/952948817.db2.gz VTSQSQRPDMGJDQ-UHFFFAOYSA-N -1 1 381.809 0.720 20 0 GCADMM COc1cncc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)n1 ZINC001571194040 952957298 /nfs/dbraw/zinc/95/72/98/952957298.db2.gz HMOBJANFSLGYCI-CABZTGNLSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cncc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)n1 ZINC001571194040 952957304 /nfs/dbraw/zinc/95/73/04/952957304.db2.gz HMOBJANFSLGYCI-CABZTGNLSA-N -1 1 382.388 0.028 20 0 GCADMM COc1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571194387 952961731 /nfs/dbraw/zinc/96/17/31/952961731.db2.gz NAZCYCYGGRXOME-JTQLQIEISA-N -1 1 382.388 0.172 20 0 GCADMM COc1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571194387 952961734 /nfs/dbraw/zinc/96/17/34/952961734.db2.gz NAZCYCYGGRXOME-JTQLQIEISA-N -1 1 382.388 0.172 20 0 GCADMM CCN1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c2ccccc21 ZINC001571194439 952963533 /nfs/dbraw/zinc/96/35/33/952963533.db2.gz MSJAFNSKCICHCD-UHFFFAOYSA-N -1 1 382.384 0.002 20 0 GCADMM O=C(N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cn[nH]c(=O)c1 ZINC001571194515 952963987 /nfs/dbraw/zinc/96/39/87/952963987.db2.gz NRECJHLZEXHGMT-QWRGUYRKSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cn[nH]c(=O)c1 ZINC001571194515 952963991 /nfs/dbraw/zinc/96/39/91/952963991.db2.gz NRECJHLZEXHGMT-QWRGUYRKSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(c1cnon1)N1CCC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@H]21 ZINC001571194561 952964229 /nfs/dbraw/zinc/96/42/29/952964229.db2.gz OLUPHWGYOITTSJ-ZWNOBZJWSA-N -1 1 382.388 0.171 20 0 GCADMM O=C(c1cnon1)N1CCC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571194561 952964236 /nfs/dbraw/zinc/96/42/36/952964236.db2.gz OLUPHWGYOITTSJ-ZWNOBZJWSA-N -1 1 382.388 0.171 20 0 GCADMM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccc2c(c1)CC(=O)N2C ZINC001571194541 952964396 /nfs/dbraw/zinc/96/43/96/952964396.db2.gz ORBHTFQOTBSJOX-QMMMGPOBSA-N -1 1 382.384 0.358 20 0 GCADMM COc1cnc(C2(NC(=O)c3ccc(-c4nn[nH]n4)cn3)CCCC2)[n-]c1=O ZINC001571194672 952967004 /nfs/dbraw/zinc/96/70/04/952967004.db2.gz QFYZPYUOZTYHNI-UHFFFAOYSA-N -1 1 382.384 0.965 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC001571194885 952970232 /nfs/dbraw/zinc/97/02/32/952970232.db2.gz UZDUWQKFKFFZLW-JTQLQIEISA-N -1 1 382.306 0.327 20 0 GCADMM CC1(C)CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571195089 952974067 /nfs/dbraw/zinc/97/40/67/952974067.db2.gz YBEFQMRASMCMNS-NSHDSACASA-N -1 1 382.388 0.115 20 0 GCADMM CC1(C)CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571195089 952974070 /nfs/dbraw/zinc/97/40/70/952974070.db2.gz YBEFQMRASMCMNS-NSHDSACASA-N -1 1 382.388 0.115 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)n1 ZINC001571195226 952976807 /nfs/dbraw/zinc/97/68/07/952976807.db2.gz ZWRUBWHPMQULIJ-JTQLQIEISA-N -1 1 382.388 0.177 20 0 GCADMM O=C(C[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)c1cncs1 ZINC001571197284 952988720 /nfs/dbraw/zinc/98/87/20/952988720.db2.gz VHFYJLMYRIUTGK-UHFFFAOYSA-N -1 1 382.402 0.765 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cc1ccc(F)cc1 ZINC001571197307 952988996 /nfs/dbraw/zinc/98/89/96/952988996.db2.gz VXNGXTWIWDOVLN-BXUZGUMPSA-N -1 1 382.403 0.862 20 0 GCADMM O=C([C@@H](F)Cc1ccccc1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571197444 952990631 /nfs/dbraw/zinc/99/06/31/952990631.db2.gz ZZRLCCZLDMJAGN-KBPBESRZSA-N -1 1 382.403 0.672 20 0 GCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571199662 953002760 /nfs/dbraw/zinc/00/27/60/953002760.db2.gz YAAYIMZDYPHRCB-ZCHNKJLFSA-N -1 1 382.428 0.021 20 0 GCADMM Cc1ccoc1CC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571200850 953012814 /nfs/dbraw/zinc/01/28/14/953012814.db2.gz GYTMVAZOXQRBKV-OLZOCXBDSA-N -1 1 382.428 0.920 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571204569 953029888 /nfs/dbraw/zinc/02/98/88/953029888.db2.gz BGCPAIGABGPOTD-NEPJUHHUSA-N -1 1 382.432 0.517 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn(C)c2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571204547 953030604 /nfs/dbraw/zinc/03/06/04/953030604.db2.gz ASPUCLWWAAFWDD-RYUDHWBXSA-N -1 1 382.432 0.022 20 0 GCADMM CC(C)Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571204580 953030672 /nfs/dbraw/zinc/03/06/72/953030672.db2.gz ACOOQTGDFOKXNG-BETUJISGSA-N -1 1 382.432 0.304 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571204599 953031538 /nfs/dbraw/zinc/03/15/38/953031538.db2.gz BLADCBQFIAECGX-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571204599 953031543 /nfs/dbraw/zinc/03/15/43/953031543.db2.gz BLADCBQFIAECGX-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM O=C([C@@H]1C[C@@]12CCOC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571204629 953031678 /nfs/dbraw/zinc/03/16/78/953031678.db2.gz ATDNQYUOXZSMEF-CVXDAYKESA-N -1 1 382.428 0.263 20 0 GCADMM O=C([C@@H]1C[C@@]12CCOC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571204629 953031682 /nfs/dbraw/zinc/03/16/82/953031682.db2.gz ATDNQYUOXZSMEF-CVXDAYKESA-N -1 1 382.428 0.263 20 0 GCADMM O=C(C1=CCOCC1)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571204692 953032142 /nfs/dbraw/zinc/03/21/42/953032142.db2.gz CBZDLMPKZWUHJD-HIFRSBDPSA-N -1 1 382.428 0.431 20 0 GCADMM O=C(C1=CCOCC1)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571204692 953032145 /nfs/dbraw/zinc/03/21/45/953032145.db2.gz CBZDLMPKZWUHJD-HIFRSBDPSA-N -1 1 382.428 0.431 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571204842 953032176 /nfs/dbraw/zinc/03/21/76/953032176.db2.gz CTKRVNCRCJHXRO-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571204842 953032179 /nfs/dbraw/zinc/03/21/79/953032179.db2.gz CTKRVNCRCJHXRO-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM CCc1cc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571204837 953032422 /nfs/dbraw/zinc/03/24/22/953032422.db2.gz CQXFMCRKPTYMFS-NSHDSACASA-N -1 1 382.432 0.589 20 0 GCADMM CCc1cc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571204837 953032427 /nfs/dbraw/zinc/03/24/27/953032427.db2.gz CQXFMCRKPTYMFS-NSHDSACASA-N -1 1 382.432 0.589 20 0 GCADMM O=C(C1=CCOCC1)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571204693 953032516 /nfs/dbraw/zinc/03/25/16/953032516.db2.gz CBZDLMPKZWUHJD-UKRRQHHQSA-N -1 1 382.428 0.431 20 0 GCADMM O=C(C1=CCOCC1)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571204693 953032520 /nfs/dbraw/zinc/03/25/20/953032520.db2.gz CBZDLMPKZWUHJD-UKRRQHHQSA-N -1 1 382.428 0.431 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571204909 953033504 /nfs/dbraw/zinc/03/35/04/953033504.db2.gz FMYUHCLNCIYCTF-ZWNOBZJWSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571204909 953033509 /nfs/dbraw/zinc/03/35/09/953033509.db2.gz FMYUHCLNCIYCTF-ZWNOBZJWSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571204906 953033680 /nfs/dbraw/zinc/03/36/80/953033680.db2.gz FMYUHCLNCIYCTF-GWCFXTLKSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571204906 953033684 /nfs/dbraw/zinc/03/36/84/953033684.db2.gz FMYUHCLNCIYCTF-GWCFXTLKSA-N -1 1 382.432 0.668 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571204864 953033795 /nfs/dbraw/zinc/03/37/95/953033795.db2.gz DGJDAPRBKUDVLR-LBPRGKRZSA-N -1 1 382.432 0.837 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571204864 953033799 /nfs/dbraw/zinc/03/37/99/953033799.db2.gz DGJDAPRBKUDVLR-LBPRGKRZSA-N -1 1 382.432 0.837 20 0 GCADMM CCc1nc(NC[C@@H]2CCCN2C(=O)c2nc(C)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001571204883 953033819 /nfs/dbraw/zinc/03/38/19/953033819.db2.gz DSRIIPOHCNHGAR-NSHDSACASA-N -1 1 382.432 0.967 20 0 GCADMM CCc1nc(NC[C@@H]2CCCN2C(=O)c2nc(C)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001571204883 953033823 /nfs/dbraw/zinc/03/38/23/953033823.db2.gz DSRIIPOHCNHGAR-NSHDSACASA-N -1 1 382.432 0.967 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001571204874 953034184 /nfs/dbraw/zinc/03/41/84/953034184.db2.gz DOHIXEHYVVPUEG-BXUZGUMPSA-N -1 1 382.432 0.886 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001571204874 953034186 /nfs/dbraw/zinc/03/41/86/953034186.db2.gz DOHIXEHYVVPUEG-BXUZGUMPSA-N -1 1 382.432 0.886 20 0 GCADMM CC(C)c1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571204948 953034362 /nfs/dbraw/zinc/03/43/62/953034362.db2.gz DONHQPOWAAIQGG-NSHDSACASA-N -1 1 382.432 0.262 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571205193 953035782 /nfs/dbraw/zinc/03/57/82/953035782.db2.gz HDBMOVFFXUJPDQ-IINYFYTJSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571205193 953035787 /nfs/dbraw/zinc/03/57/87/953035787.db2.gz HDBMOVFFXUJPDQ-IINYFYTJSA-N -1 1 382.432 0.754 20 0 GCADMM CCc1nn(C)cc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571205180 953035943 /nfs/dbraw/zinc/03/59/43/953035943.db2.gz GYNAIFOYAIFBRX-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nn(C)cc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571205180 953035947 /nfs/dbraw/zinc/03/59/47/953035947.db2.gz GYNAIFOYAIFBRX-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571205126 953036026 /nfs/dbraw/zinc/03/60/26/953036026.db2.gz FVVAJCITNOCQIJ-ZWNOBZJWSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571205126 953036030 /nfs/dbraw/zinc/03/60/30/953036030.db2.gz FVVAJCITNOCQIJ-ZWNOBZJWSA-N -1 1 382.432 0.525 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)n1 ZINC001571205152 953036518 /nfs/dbraw/zinc/03/65/18/953036518.db2.gz GNNLBPSFCUPRMO-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)n1 ZINC001571205152 953036520 /nfs/dbraw/zinc/03/65/20/953036520.db2.gz GNNLBPSFCUPRMO-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001571205433 953038220 /nfs/dbraw/zinc/03/82/20/953038220.db2.gz IFJRUFYNMIRHOL-LLVKDONJSA-N -1 1 382.432 0.344 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001571205433 953038223 /nfs/dbraw/zinc/03/82/23/953038223.db2.gz IFJRUFYNMIRHOL-LLVKDONJSA-N -1 1 382.432 0.344 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001571205430 953038420 /nfs/dbraw/zinc/03/84/20/953038420.db2.gz IBXQQHKJBFDNMQ-RYUDHWBXSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001571205430 953038422 /nfs/dbraw/zinc/03/84/22/953038422.db2.gz IBXQQHKJBFDNMQ-RYUDHWBXSA-N -1 1 382.432 0.743 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205454 953038427 /nfs/dbraw/zinc/03/84/27/953038427.db2.gz JFWVUMTXQVBSHF-QWRGUYRKSA-N -1 1 382.432 0.905 20 0 GCADMM O=C(N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)[C@]12C[C@H]1COC2 ZINC001571205379 953038482 /nfs/dbraw/zinc/03/84/82/953038482.db2.gz INYXKFAGMGBOHD-CQEJWKIFSA-N -1 1 382.428 0.263 20 0 GCADMM O=C(N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)[C@]12C[C@H]1COC2 ZINC001571205379 953038485 /nfs/dbraw/zinc/03/84/85/953038485.db2.gz INYXKFAGMGBOHD-CQEJWKIFSA-N -1 1 382.428 0.263 20 0 GCADMM CCc1c(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cnn1C ZINC001571205504 953039040 /nfs/dbraw/zinc/03/90/40/953039040.db2.gz KKFGQJYRTQXVGU-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM CCc1c(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cnn1C ZINC001571205504 953039041 /nfs/dbraw/zinc/03/90/41/953039041.db2.gz KKFGQJYRTQXVGU-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571205456 953039252 /nfs/dbraw/zinc/03/92/52/953039252.db2.gz JGGNNKKNGCJSEW-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205456 953039257 /nfs/dbraw/zinc/03/92/57/953039257.db2.gz JGGNNKKNGCJSEW-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CCCc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571205525 953039505 /nfs/dbraw/zinc/03/95/05/953039505.db2.gz LCODYQFOGDASQK-NSHDSACASA-N -1 1 382.432 0.589 20 0 GCADMM CCCc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571205525 953039508 /nfs/dbraw/zinc/03/95/08/953039508.db2.gz LCODYQFOGDASQK-NSHDSACASA-N -1 1 382.432 0.589 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001571205640 953040008 /nfs/dbraw/zinc/04/00/08/953040008.db2.gz MJFCINVVIDLAKS-GFCCVEGCSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571205640 953040013 /nfs/dbraw/zinc/04/00/13/953040013.db2.gz MJFCINVVIDLAKS-GFCCVEGCSA-N -1 1 382.432 0.669 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001571205659 953040183 /nfs/dbraw/zinc/04/01/83/953040183.db2.gz MOEGBGWBRVCVJS-VXGBXAGGSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@@H]1CN(C(=O)c2cncn2C)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205649 953040418 /nfs/dbraw/zinc/04/04/18/953040418.db2.gz MMVONTGYISVJJI-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2cncn2C)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205649 953040422 /nfs/dbraw/zinc/04/04/22/953040422.db2.gz MMVONTGYISVJJI-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)CCc3cn[nH]c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571205603 953040432 /nfs/dbraw/zinc/04/04/32/953040432.db2.gz LOAWXXKNMVVLBF-LBPRGKRZSA-N -1 1 382.432 0.588 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)CCc3cn[nH]c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571205603 953040434 /nfs/dbraw/zinc/04/04/34/953040434.db2.gz LOAWXXKNMVVLBF-LBPRGKRZSA-N -1 1 382.432 0.588 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205606 953040554 /nfs/dbraw/zinc/04/05/54/953040554.db2.gz JXAANLUNTAJOTL-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnn2C)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571205596 953040701 /nfs/dbraw/zinc/04/07/01/953040701.db2.gz LKKSOUJSIZSAEN-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnn2C)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571205596 953040704 /nfs/dbraw/zinc/04/07/04/953040704.db2.gz LKKSOUJSIZSAEN-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)nn1C ZINC001571205716 953041532 /nfs/dbraw/zinc/04/15/32/953041532.db2.gz NIDXUZFFHJLSBP-ZYHUDNBSSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)nn1C ZINC001571205716 953041535 /nfs/dbraw/zinc/04/15/35/953041535.db2.gz NIDXUZFFHJLSBP-ZYHUDNBSSA-N -1 1 382.432 0.668 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)Cc2cncn2C)C1 ZINC001571205770 953042309 /nfs/dbraw/zinc/04/23/09/953042309.db2.gz AOVRYGDOFSNPLI-LBPRGKRZSA-N -1 1 382.432 0.060 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC[C@@H]2C)n1 ZINC001571205816 953042660 /nfs/dbraw/zinc/04/26/60/953042660.db2.gz BMUZPXSBLYDGEX-AAEUAGOBSA-N -1 1 382.432 0.404 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC[C@@H]2C)n1 ZINC001571205816 953042663 /nfs/dbraw/zinc/04/26/63/953042663.db2.gz BMUZPXSBLYDGEX-AAEUAGOBSA-N -1 1 382.432 0.404 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571205884 953043114 /nfs/dbraw/zinc/04/31/14/953043114.db2.gz NIZCLMKCCTVZNV-WDEREUQCSA-N -1 1 382.432 0.966 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@](C)(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205855 953043828 /nfs/dbraw/zinc/04/38/28/953043828.db2.gz CDFVCCYLHFDNJR-QGZVFWFLSA-N -1 1 382.432 0.961 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571205881 953043916 /nfs/dbraw/zinc/04/39/16/953043916.db2.gz NIZCLMKCCTVZNV-GHMZBOCLSA-N -1 1 382.432 0.966 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571205948 953044864 /nfs/dbraw/zinc/04/48/64/953044864.db2.gz OWMVJFOZYFYDNK-DGCLKSJQSA-N -1 1 382.432 0.139 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571205948 953044869 /nfs/dbraw/zinc/04/48/69/953044869.db2.gz OWMVJFOZYFYDNK-DGCLKSJQSA-N -1 1 382.432 0.139 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205959 953045005 /nfs/dbraw/zinc/04/50/05/953045005.db2.gz OZYRRJBJRKWEIM-LLVKDONJSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571205965 953045186 /nfs/dbraw/zinc/04/51/86/953045186.db2.gz PDDAOBVDHHAOLH-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571205965 953045187 /nfs/dbraw/zinc/04/51/87/953045187.db2.gz PDDAOBVDHHAOLH-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM CCN(C(=O)c1nc(C)c[nH]1)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205990 953045216 /nfs/dbraw/zinc/04/52/16/953045216.db2.gz QGAUKEAFTNUGPF-GFCCVEGCSA-N -1 1 382.432 0.738 20 0 GCADMM CCN(C(=O)c1nc(C)c[nH]1)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205990 953045218 /nfs/dbraw/zinc/04/52/18/953045218.db2.gz QGAUKEAFTNUGPF-GFCCVEGCSA-N -1 1 382.432 0.738 20 0 GCADMM CCCc1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571205926 953045235 /nfs/dbraw/zinc/04/52/35/953045235.db2.gz OLYALJMSEHSQLX-LBPRGKRZSA-N -1 1 382.432 0.471 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)n1 ZINC001571206017 953045693 /nfs/dbraw/zinc/04/56/93/953045693.db2.gz QVZVUVGVOULKJE-HAQNSBGRSA-N -1 1 382.432 0.945 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)n1 ZINC001571206017 953045695 /nfs/dbraw/zinc/04/56/95/953045695.db2.gz QVZVUVGVOULKJE-HAQNSBGRSA-N -1 1 382.432 0.945 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571206000 953046155 /nfs/dbraw/zinc/04/61/55/953046155.db2.gz QNYQBOAEIKZIJM-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571206000 953046158 /nfs/dbraw/zinc/04/61/58/953046158.db2.gz QNYQBOAEIKZIJM-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2nc(C)c[nH]2)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571206145 953046744 /nfs/dbraw/zinc/04/67/44/953046744.db2.gz RVTZPGKAJMOKPR-WCQYABFASA-N -1 1 382.432 0.784 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2nc(C)c[nH]2)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571206145 953046746 /nfs/dbraw/zinc/04/67/46/953046746.db2.gz RVTZPGKAJMOKPR-WCQYABFASA-N -1 1 382.432 0.784 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cncn1C ZINC001571206083 953046824 /nfs/dbraw/zinc/04/68/24/953046824.db2.gz ROFZBYOFPGJDFU-NWDGAFQWSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cncn1C ZINC001571206083 953046828 /nfs/dbraw/zinc/04/68/28/953046828.db2.gz ROFZBYOFPGJDFU-NWDGAFQWSA-N -1 1 382.432 0.424 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206101 953046870 /nfs/dbraw/zinc/04/68/70/953046870.db2.gz DDFZMHXRHNGJEJ-LBPRGKRZSA-N -1 1 382.432 0.178 20 0 GCADMM CCn1ccc(CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206122 953047132 /nfs/dbraw/zinc/04/71/32/953047132.db2.gz DKCWCWKSEPGQPY-CYBMUJFWSA-N -1 1 382.432 0.201 20 0 GCADMM CCn1ccc(CC(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206122 953047134 /nfs/dbraw/zinc/04/71/34/953047134.db2.gz DKCWCWKSEPGQPY-CYBMUJFWSA-N -1 1 382.432 0.201 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571206073 953047220 /nfs/dbraw/zinc/04/72/20/953047220.db2.gz RMKAANGUPYTUQM-QGZVFWFLSA-N -1 1 382.432 0.907 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571206073 953047223 /nfs/dbraw/zinc/04/72/23/953047223.db2.gz RMKAANGUPYTUQM-QGZVFWFLSA-N -1 1 382.432 0.907 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206150 953047228 /nfs/dbraw/zinc/04/72/28/953047228.db2.gz DQAAKLXTHRMFBC-CMPLNLGQSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206150 953047230 /nfs/dbraw/zinc/04/72/30/953047230.db2.gz DQAAKLXTHRMFBC-CMPLNLGQSA-N -1 1 382.432 0.899 20 0 GCADMM CCn1ccc(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571206103 953047299 /nfs/dbraw/zinc/04/72/99/953047299.db2.gz DFMCLWLPHBRVRO-GFCCVEGCSA-N -1 1 382.432 0.980 20 0 GCADMM CCn1ccc(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571206103 953047304 /nfs/dbraw/zinc/04/73/04/953047304.db2.gz DFMCLWLPHBRVRO-GFCCVEGCSA-N -1 1 382.432 0.980 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1ccnc1 ZINC001571206078 953047339 /nfs/dbraw/zinc/04/73/39/953047339.db2.gz ROBZCJBLPCJSQX-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1ccnc1 ZINC001571206078 953047345 /nfs/dbraw/zinc/04/73/45/953047345.db2.gz ROBZCJBLPCJSQX-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM CCn1ccc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571206104 953047433 /nfs/dbraw/zinc/04/74/33/953047433.db2.gz DFMCLWLPHBRVRO-LBPRGKRZSA-N -1 1 382.432 0.980 20 0 GCADMM CCn1ccc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571206104 953047436 /nfs/dbraw/zinc/04/74/36/953047436.db2.gz DFMCLWLPHBRVRO-LBPRGKRZSA-N -1 1 382.432 0.980 20 0 GCADMM CCn1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)c(C)n1 ZINC001571206225 953048491 /nfs/dbraw/zinc/04/84/91/953048491.db2.gz SFKXLTBZGBWCSG-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)c(C)n1 ZINC001571206225 953048496 /nfs/dbraw/zinc/04/84/96/953048496.db2.gz SFKXLTBZGBWCSG-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001571206378 953050277 /nfs/dbraw/zinc/05/02/77/953050277.db2.gz UKILAFVNQIVILP-RYUDHWBXSA-N -1 1 382.432 0.804 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001571206378 953050279 /nfs/dbraw/zinc/05/02/79/953050279.db2.gz UKILAFVNQIVILP-RYUDHWBXSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H](C)N(C(=O)CCc3cn[nH]c3)C2)n1 ZINC001571206392 953050504 /nfs/dbraw/zinc/05/05/04/953050504.db2.gz GFIBJQMQFSSTDJ-DGCLKSJQSA-N -1 1 382.432 0.722 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H](C)N(C(=O)CCc3cn[nH]c3)C2)n1 ZINC001571206392 953050507 /nfs/dbraw/zinc/05/05/07/953050507.db2.gz GFIBJQMQFSSTDJ-DGCLKSJQSA-N -1 1 382.432 0.722 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H](C)N(C(=O)CCc3cn[nH]c3)C2)n1 ZINC001571206393 953050880 /nfs/dbraw/zinc/05/08/80/953050880.db2.gz GFIBJQMQFSSTDJ-WCQYABFASA-N -1 1 382.432 0.722 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H](C)N(C(=O)CCc3cn[nH]c3)C2)n1 ZINC001571206393 953050883 /nfs/dbraw/zinc/05/08/83/953050883.db2.gz GFIBJQMQFSSTDJ-WCQYABFASA-N -1 1 382.432 0.722 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206448 953051163 /nfs/dbraw/zinc/05/11/63/953051163.db2.gz GZCUFVQRSBHMLB-RYUDHWBXSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206448 953051166 /nfs/dbraw/zinc/05/11/66/953051166.db2.gz GZCUFVQRSBHMLB-RYUDHWBXSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206451 953051195 /nfs/dbraw/zinc/05/11/95/953051195.db2.gz GZCUFVQRSBHMLB-VXGBXAGGSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206451 953051198 /nfs/dbraw/zinc/05/11/98/953051198.db2.gz GZCUFVQRSBHMLB-VXGBXAGGSA-N -1 1 382.432 0.884 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571206522 953051814 /nfs/dbraw/zinc/05/18/14/953051814.db2.gz VCTRXBNXRYMDKI-CYBMUJFWSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571206522 953051820 /nfs/dbraw/zinc/05/18/20/953051820.db2.gz VCTRXBNXRYMDKI-CYBMUJFWSA-N -1 1 382.432 0.690 20 0 GCADMM CCn1cnc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571206492 953052325 /nfs/dbraw/zinc/05/23/25/953052325.db2.gz HIXWYHLTHCSPDE-VXGBXAGGSA-N -1 1 382.432 0.448 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571206555 953052706 /nfs/dbraw/zinc/05/27/06/953052706.db2.gz IGEUAOJGNOLMPZ-NWDGAFQWSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571206555 953052710 /nfs/dbraw/zinc/05/27/10/953052710.db2.gz IGEUAOJGNOLMPZ-NWDGAFQWSA-N -1 1 382.432 0.884 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)c1C ZINC001571206705 953053555 /nfs/dbraw/zinc/05/35/55/953053555.db2.gz JPYVQTUQSAABGH-CABZTGNLSA-N -1 1 382.432 0.784 20 0 GCADMM CCCn1ncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206841 953056036 /nfs/dbraw/zinc/05/60/36/953056036.db2.gz XXPMUFUWNDLGPK-LBPRGKRZSA-N -1 1 382.432 0.320 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC001571206901 953057140 /nfs/dbraw/zinc/05/71/40/953057140.db2.gz YVRUZKHHZJLYAY-LLVKDONJSA-N -1 1 382.432 0.165 20 0 GCADMM O=C(N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1=COCCC1 ZINC001571206952 953057259 /nfs/dbraw/zinc/05/72/59/953057259.db2.gz USPVCADCQXFEPN-CHWSQXEVSA-N -1 1 382.428 0.612 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)Cn3ccnc3)CC2)n1 ZINC001571206899 953057445 /nfs/dbraw/zinc/05/74/45/953057445.db2.gz YVNHOSDFFAJRLS-UHFFFAOYSA-N -1 1 382.432 0.155 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571207006 953058115 /nfs/dbraw/zinc/05/81/15/953058115.db2.gz ZOIUWUQRUGBXGG-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571207006 953058118 /nfs/dbraw/zinc/05/81/18/953058118.db2.gz ZOIUWUQRUGBXGG-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM O=C(N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1=COCCC1 ZINC001571206954 953058143 /nfs/dbraw/zinc/05/81/43/953058143.db2.gz USPVCADCQXFEPN-QWHCGFSZSA-N -1 1 382.428 0.612 20 0 GCADMM C[C@H](NC(=O)c1ccn(C)n1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207024 953058376 /nfs/dbraw/zinc/05/83/76/953058376.db2.gz ZUUCWFGSEHNTFV-NWDGAFQWSA-N -1 1 382.432 0.425 20 0 GCADMM C[C@H](NC(=O)c1ccn(C)n1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207024 953058380 /nfs/dbraw/zinc/05/83/80/953058380.db2.gz ZUUCWFGSEHNTFV-NWDGAFQWSA-N -1 1 382.432 0.425 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cncn2C)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571207028 953058406 /nfs/dbraw/zinc/05/84/06/953058406.db2.gz ZXZSTWSEQBRFDN-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cncn2C)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571207028 953058408 /nfs/dbraw/zinc/05/84/08/953058408.db2.gz ZXZSTWSEQBRFDN-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571207081 953059418 /nfs/dbraw/zinc/05/94/18/953059418.db2.gz MRYMUZMKFUZYMX-LBPRGKRZSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571207081 953059421 /nfs/dbraw/zinc/05/94/21/953059421.db2.gz MRYMUZMKFUZYMX-LBPRGKRZSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1ccnc1C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207055 953059481 /nfs/dbraw/zinc/05/94/81/953059481.db2.gz MCOVSUOPPVYZCR-LBPRGKRZSA-N -1 1 382.432 0.532 20 0 GCADMM CCn1ccnc1C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207055 953059483 /nfs/dbraw/zinc/05/94/83/953059483.db2.gz MCOVSUOPPVYZCR-LBPRGKRZSA-N -1 1 382.432 0.532 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571207058 953059521 /nfs/dbraw/zinc/05/95/21/953059521.db2.gz MCYWDOYCTJMMLD-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571207058 953059524 /nfs/dbraw/zinc/05/95/24/953059524.db2.gz MCYWDOYCTJMMLD-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571207179 953059769 /nfs/dbraw/zinc/05/97/69/953059769.db2.gz OKUZAEBIENVXDM-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571207179 953059772 /nfs/dbraw/zinc/05/97/72/953059772.db2.gz OKUZAEBIENVXDM-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207135 953059962 /nfs/dbraw/zinc/05/99/62/953059962.db2.gz NPHQQXWRWCVKEW-GFCCVEGCSA-N -1 1 382.432 0.320 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccnn3C(C)C)C2)n1 ZINC001571207161 953060323 /nfs/dbraw/zinc/06/03/23/953060323.db2.gz NWGZCNNEUKKPMZ-LBPRGKRZSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccnn3C(C)C)C2)n1 ZINC001571207161 953060324 /nfs/dbraw/zinc/06/03/24/953060324.db2.gz NWGZCNNEUKKPMZ-LBPRGKRZSA-N -1 1 382.432 0.751 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1C ZINC001571207272 953060587 /nfs/dbraw/zinc/06/05/87/953060587.db2.gz PIWZUAOYOWZVJH-ZYHUDNBSSA-N -1 1 382.432 0.319 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207193 953060675 /nfs/dbraw/zinc/06/06/75/953060675.db2.gz OQPMCHUTIVXKLR-HAQNSBGRSA-N -1 1 382.432 0.926 20 0 GCADMM CCn1ncc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1C ZINC001571207273 953061724 /nfs/dbraw/zinc/06/17/24/953061724.db2.gz PKJWIVANUXHZIU-UHFFFAOYSA-N -1 1 382.432 0.534 20 0 GCADMM CCn1ncc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1C ZINC001571207273 953061726 /nfs/dbraw/zinc/06/17/26/953061726.db2.gz PKJWIVANUXHZIU-UHFFFAOYSA-N -1 1 382.432 0.534 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)Cn3ccnc3)C2)n1 ZINC001571207452 953063303 /nfs/dbraw/zinc/06/33/03/953063303.db2.gz RURAMUVBHUCDLU-ZDUSSCGKSA-N -1 1 382.432 0.512 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)CCc1cn[nH]c1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571207453 953063325 /nfs/dbraw/zinc/06/33/25/953063325.db2.gz RWKZIFLBPXCQQK-CYBMUJFWSA-N -1 1 382.432 0.440 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)CCc1cn[nH]c1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571207453 953063326 /nfs/dbraw/zinc/06/33/26/953063326.db2.gz RWKZIFLBPXCQQK-CYBMUJFWSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1ccnn1CC(=O)N1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571207456 953063447 /nfs/dbraw/zinc/06/34/47/953063447.db2.gz RYZNUSBAPYZLDX-UHFFFAOYSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1ccnn1CC(=O)N1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571207456 953063449 /nfs/dbraw/zinc/06/34/49/953063449.db2.gz RYZNUSBAPYZLDX-UHFFFAOYSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207532 953064339 /nfs/dbraw/zinc/06/43/39/953064339.db2.gz VVNHQWZIHFTHJK-GFCCVEGCSA-N -1 1 382.432 0.324 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207532 953064342 /nfs/dbraw/zinc/06/43/42/953064342.db2.gz VVNHQWZIHFTHJK-GFCCVEGCSA-N -1 1 382.432 0.324 20 0 GCADMM CCn1ccc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571207541 953064695 /nfs/dbraw/zinc/06/46/95/953064695.db2.gz VZMKEPMRQVVBNE-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1ccc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571207541 953064696 /nfs/dbraw/zinc/06/46/96/953064696.db2.gz VZMKEPMRQVVBNE-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1C ZINC001571207555 953064766 /nfs/dbraw/zinc/06/47/66/953064766.db2.gz WJGRTCDMSKYAGK-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1C ZINC001571207555 953064768 /nfs/dbraw/zinc/06/47/68/953064768.db2.gz WJGRTCDMSKYAGK-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccnn2C)n1 ZINC001571207557 953064812 /nfs/dbraw/zinc/06/48/12/953064812.db2.gz WMWLKWMJZPVXCJ-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccnn2C)n1 ZINC001571207557 953064815 /nfs/dbraw/zinc/06/48/15/953064815.db2.gz WMWLKWMJZPVXCJ-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571207671 953064960 /nfs/dbraw/zinc/06/49/60/953064960.db2.gz ZMVQJWBAVJEYJX-GFCCVEGCSA-N -1 1 382.432 0.819 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571207671 953064962 /nfs/dbraw/zinc/06/49/62/953064962.db2.gz ZMVQJWBAVJEYJX-GFCCVEGCSA-N -1 1 382.432 0.819 20 0 GCADMM CCn1ccnc1C(=O)NC1CC(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207643 953065438 /nfs/dbraw/zinc/06/54/38/953065438.db2.gz YYAOPCDPVLHSBF-UHFFFAOYSA-N -1 1 382.432 0.802 20 0 GCADMM CCn1ccnc1C(=O)NC1CC(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207643 953065440 /nfs/dbraw/zinc/06/54/40/953065440.db2.gz YYAOPCDPVLHSBF-UHFFFAOYSA-N -1 1 382.432 0.802 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571209739 953067288 /nfs/dbraw/zinc/06/72/88/953067288.db2.gz CKSHXXGZDMDROX-ZDUSSCGKSA-N -1 1 382.432 0.806 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571209739 953067290 /nfs/dbraw/zinc/06/72/90/953067290.db2.gz CKSHXXGZDMDROX-ZDUSSCGKSA-N -1 1 382.432 0.806 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571209836 953067984 /nfs/dbraw/zinc/06/79/84/953067984.db2.gz GFGUQUWZQNMPCH-LBPRGKRZSA-N -1 1 382.432 0.085 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571210887 953075827 /nfs/dbraw/zinc/07/58/27/953075827.db2.gz ZLJZJTORFXHDTF-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571210887 953075830 /nfs/dbraw/zinc/07/58/30/953075830.db2.gz ZLJZJTORFXHDTF-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3nccnc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571211418 953076337 /nfs/dbraw/zinc/07/63/37/953076337.db2.gz AKMKDWWLBHXFOO-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3nccnc3-c3nn[n-]n3)C2)n(C)n1 ZINC001571211418 953076340 /nfs/dbraw/zinc/07/63/40/953076340.db2.gz AKMKDWWLBHXFOO-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571211430 953076448 /nfs/dbraw/zinc/07/64/48/953076448.db2.gz ALPXBMGZBAEXGQ-QGZVFWFLSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571211430 953076451 /nfs/dbraw/zinc/07/64/51/953076451.db2.gz ALPXBMGZBAEXGQ-QGZVFWFLSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)[nH]1 ZINC001571211441 953076612 /nfs/dbraw/zinc/07/66/12/953076612.db2.gz ASNHDJTWLHYQBD-CYBMUJFWSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211684 953079240 /nfs/dbraw/zinc/07/92/40/953079240.db2.gz FOITVHVXQFBDSQ-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211684 953079243 /nfs/dbraw/zinc/07/92/43/953079243.db2.gz FOITVHVXQFBDSQ-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211638 953079529 /nfs/dbraw/zinc/07/95/29/953079529.db2.gz DIFLQQJCIXSSPW-GFCCVEGCSA-N -1 1 382.432 0.276 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211693 953079647 /nfs/dbraw/zinc/07/96/47/953079647.db2.gz FSMBUVIVUUDQMV-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211693 953079650 /nfs/dbraw/zinc/07/96/50/953079650.db2.gz FSMBUVIVUUDQMV-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1C ZINC001571211838 953081128 /nfs/dbraw/zinc/08/11/28/953081128.db2.gz HBGJUUPCRBAGSW-PWSUYJOCSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571212121 953083944 /nfs/dbraw/zinc/08/39/44/953083944.db2.gz JCXRTAXLJIOROF-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212204 953084682 /nfs/dbraw/zinc/08/46/82/953084682.db2.gz LICFXBCCPDVHDP-LBPRGKRZSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212204 953084688 /nfs/dbraw/zinc/08/46/88/953084688.db2.gz LICFXBCCPDVHDP-LBPRGKRZSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571212147 953085357 /nfs/dbraw/zinc/08/53/57/953085357.db2.gz JXIBTVXAVXGSFZ-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571212147 953085362 /nfs/dbraw/zinc/08/53/62/953085362.db2.gz JXIBTVXAVXGSFZ-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1ncc(C(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)n1C ZINC001571212776 953090487 /nfs/dbraw/zinc/09/04/87/953090487.db2.gz OZCOKQLMWAKVOG-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1ncc(C(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)n1C ZINC001571212776 953090491 /nfs/dbraw/zinc/09/04/91/953090491.db2.gz OZCOKQLMWAKVOG-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)n(C)n1 ZINC001571212728 953090779 /nfs/dbraw/zinc/09/07/79/953090779.db2.gz OPAWELZAYPGXMU-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)n(C)n1 ZINC001571212728 953090782 /nfs/dbraw/zinc/09/07/82/953090782.db2.gz OPAWELZAYPGXMU-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncc(C(=O)N[C@@H](C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)[nH]1 ZINC001571213191 953093175 /nfs/dbraw/zinc/09/31/75/953093175.db2.gz RTFSJNIVKWVFID-JTQLQIEISA-N -1 1 382.432 0.723 20 0 GCADMM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571213418 953093950 /nfs/dbraw/zinc/09/39/50/953093950.db2.gz SMNVRIDHDYANGN-NWDGAFQWSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1nc(C(=O)N2CCC[C@@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571213431 953095066 /nfs/dbraw/zinc/09/50/66/953095066.db2.gz SSYXGGRKEAIYNB-LBPRGKRZSA-N -1 1 382.432 0.677 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n(C)n1 ZINC001571213476 953095209 /nfs/dbraw/zinc/09/52/09/953095209.db2.gz UUPAOOXOFNDLIW-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n(C)n1 ZINC001571213476 953095212 /nfs/dbraw/zinc/09/52/12/953095212.db2.gz UUPAOOXOFNDLIW-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nc(C(=O)N2CCC[C@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571213430 953095728 /nfs/dbraw/zinc/09/57/28/953095728.db2.gz SSYXGGRKEAIYNB-GFCCVEGCSA-N -1 1 382.432 0.677 20 0 GCADMM Cc1ccnn1CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213460 953095745 /nfs/dbraw/zinc/09/57/45/953095745.db2.gz UIPJHNRIDDKQQM-CHWSQXEVSA-N -1 1 382.432 0.701 20 0 GCADMM Cc1ccnn1CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213460 953095748 /nfs/dbraw/zinc/09/57/48/953095748.db2.gz UIPJHNRIDDKQQM-CHWSQXEVSA-N -1 1 382.432 0.701 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571213435 953095797 /nfs/dbraw/zinc/09/57/97/953095797.db2.gz SWBZRIIIPZKHKN-PWSUYJOCSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571213435 953095801 /nfs/dbraw/zinc/09/58/01/953095801.db2.gz SWBZRIIIPZKHKN-PWSUYJOCSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N[C@H](C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001571213771 953097463 /nfs/dbraw/zinc/09/74/63/953097463.db2.gz VMRDOFFVQCUUEX-SNVBAGLBSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1ncc(C(=O)N[C@H](C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571213771 953097467 /nfs/dbraw/zinc/09/74/67/953097467.db2.gz VMRDOFFVQCUUEX-SNVBAGLBSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571213767 953097723 /nfs/dbraw/zinc/09/77/23/953097723.db2.gz VMCBJKBGLWFBQA-NEPJUHHUSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571213767 953097725 /nfs/dbraw/zinc/09/77/25/953097725.db2.gz VMCBJKBGLWFBQA-NEPJUHHUSA-N -1 1 382.432 0.661 20 0 GCADMM Cn1cncc1CCC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571213853 953098343 /nfs/dbraw/zinc/09/83/43/953098343.db2.gz XWAWTACQVGRLNN-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1ncc(C(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1C ZINC001571214114 953099472 /nfs/dbraw/zinc/09/94/72/953099472.db2.gz YIXJFRLMXRVHRJ-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1ncc(C(=O)N(C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1C ZINC001571214114 953099474 /nfs/dbraw/zinc/09/94/74/953099474.db2.gz YIXJFRLMXRVHRJ-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571214178 953100305 /nfs/dbraw/zinc/10/03/05/953100305.db2.gz YVYCBHVRQXPEPW-OCCSQVGLSA-N -1 1 382.432 0.511 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571214178 953100307 /nfs/dbraw/zinc/10/03/07/953100307.db2.gz YVYCBHVRQXPEPW-OCCSQVGLSA-N -1 1 382.432 0.511 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571214275 953100400 /nfs/dbraw/zinc/10/04/00/953100400.db2.gz ZXSILEVOMYQGLS-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571214275 953100402 /nfs/dbraw/zinc/10/04/02/953100402.db2.gz ZXSILEVOMYQGLS-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571214198 953100568 /nfs/dbraw/zinc/10/05/68/953100568.db2.gz ZDURRNAZCXUHSM-GFCCVEGCSA-N -1 1 382.432 0.276 20 0 GCADMM CC1(NC(=O)c2ncccc2F)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571217101 953106071 /nfs/dbraw/zinc/10/60/71/953106071.db2.gz GQUIUTUOJHTANB-UHFFFAOYSA-N -1 1 383.391 0.980 20 0 GCADMM CC1(NC(=O)c2ncccc2F)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571217101 953106075 /nfs/dbraw/zinc/10/60/75/953106075.db2.gz GQUIUTUOJHTANB-UHFFFAOYSA-N -1 1 383.391 0.980 20 0 GCADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@H]1CCCCC1(F)F ZINC001571217282 953107296 /nfs/dbraw/zinc/10/72/96/953107296.db2.gz DLTAOHWIDSIJHN-SECBINFHSA-N -1 1 383.359 0.461 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2F)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571217414 953108441 /nfs/dbraw/zinc/10/84/41/953108441.db2.gz LHDZZEXUAYUGJI-GHMZBOCLSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2F)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571217414 953108443 /nfs/dbraw/zinc/10/84/43/953108443.db2.gz LHDZZEXUAYUGJI-GHMZBOCLSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571217863 953111048 /nfs/dbraw/zinc/11/10/48/953111048.db2.gz QZCMCIPQFHFFLI-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM O=C(Cc1ccc(F)cn1)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571218529 953116294 /nfs/dbraw/zinc/11/62/94/953116294.db2.gz AQHBSQIVBOZQMO-UHFFFAOYSA-N -1 1 383.391 0.162 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](N(C)C(=O)c3ncccc3F)C2)n1 ZINC001571218609 953116700 /nfs/dbraw/zinc/11/67/00/953116700.db2.gz CHEXMQSCCNQAQO-LLVKDONJSA-N -1 1 383.391 0.850 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](N(C)C(=O)c3ncccc3F)C2)n1 ZINC001571218609 953116702 /nfs/dbraw/zinc/11/67/02/953116702.db2.gz CHEXMQSCCNQAQO-LLVKDONJSA-N -1 1 383.391 0.850 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2cncc(F)c2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571218629 953117241 /nfs/dbraw/zinc/11/72/41/953117241.db2.gz XIRKJAAFBBPESL-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2cncc(F)c2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571218629 953117243 /nfs/dbraw/zinc/11/72/43/953117243.db2.gz XIRKJAAFBBPESL-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2)c1cc(F)c[nH]1 ZINC001571219035 953121296 /nfs/dbraw/zinc/12/12/96/953121296.db2.gz JXHLSTBTCIZRPU-WCQGTBRESA-N -1 1 383.391 0.911 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2)c1cc(F)c[nH]1 ZINC001571219035 953121299 /nfs/dbraw/zinc/12/12/99/953121299.db2.gz JXHLSTBTCIZRPU-WCQGTBRESA-N -1 1 383.391 0.911 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)c1cncc(F)c1)c1nccnc1-c1nnn[n-]1 ZINC001571219030 953121522 /nfs/dbraw/zinc/12/15/22/953121522.db2.gz JUTREBGBJHKGTA-ZDUSSCGKSA-N -1 1 383.391 0.932 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)c1cncc(F)c1)c1nccnc1-c1nn[n-]n1 ZINC001571219030 953121525 /nfs/dbraw/zinc/12/15/25/953121525.db2.gz JUTREBGBJHKGTA-ZDUSSCGKSA-N -1 1 383.391 0.932 20 0 GCADMM O=C(Cc1ncccc1F)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571219489 953126148 /nfs/dbraw/zinc/12/61/48/953126148.db2.gz PDNBNXGNWFONCP-LLVKDONJSA-N -1 1 383.391 0.836 20 0 GCADMM O=C(Cc1ncccc1F)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571219489 953126152 /nfs/dbraw/zinc/12/61/52/953126152.db2.gz PDNBNXGNWFONCP-LLVKDONJSA-N -1 1 383.391 0.836 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C2)n1 ZINC001571220104 953128608 /nfs/dbraw/zinc/12/86/08/953128608.db2.gz WWPBGYAAGNZYMY-CYBMUJFWSA-N -1 1 383.391 0.755 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C2)n1 ZINC001571220104 953128611 /nfs/dbraw/zinc/12/86/11/953128611.db2.gz WWPBGYAAGNZYMY-CYBMUJFWSA-N -1 1 383.391 0.755 20 0 GCADMM O=C(Cc1ccc(F)cn1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571220199 953129341 /nfs/dbraw/zinc/12/93/41/953129341.db2.gz YTAPJBSBNLUHII-ZDUSSCGKSA-N -1 1 383.391 0.836 20 0 GCADMM O=C(Cc1ccc(F)cn1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571220199 953129351 /nfs/dbraw/zinc/12/93/51/953129351.db2.gz YTAPJBSBNLUHII-ZDUSSCGKSA-N -1 1 383.391 0.836 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)no1 ZINC001571222157 953131765 /nfs/dbraw/zinc/13/17/65/953131765.db2.gz DGRZHVPWYXYLHH-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)no1 ZINC001571222157 953131769 /nfs/dbraw/zinc/13/17/69/953131769.db2.gz DGRZHVPWYXYLHH-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCCc1nc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001571222206 953132730 /nfs/dbraw/zinc/13/27/30/953132730.db2.gz FKZYNYXNPOOVSE-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCCc1nc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001571222206 953132732 /nfs/dbraw/zinc/13/27/32/953132732.db2.gz FKZYNYXNPOOVSE-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ocnc1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571222267 953133021 /nfs/dbraw/zinc/13/30/21/953133021.db2.gz BXGUNNZTCISETD-UHFFFAOYSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ocnc1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571222267 953133024 /nfs/dbraw/zinc/13/30/24/953133024.db2.gz BXGUNNZTCISETD-UHFFFAOYSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1noc(C)c1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571222688 953137601 /nfs/dbraw/zinc/13/76/01/953137601.db2.gz JFRGFCSUTLBNGU-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM Cc1[nH]ccc1C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222704 953137827 /nfs/dbraw/zinc/13/78/27/953137827.db2.gz JQMHZCPVOKYUNN-LBPRGKRZSA-N -1 1 383.416 0.636 20 0 GCADMM Cc1[nH]ccc1C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222704 953137829 /nfs/dbraw/zinc/13/78/29/953137829.db2.gz JQMHZCPVOKYUNN-LBPRGKRZSA-N -1 1 383.416 0.636 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222771 953138466 /nfs/dbraw/zinc/13/84/66/953138466.db2.gz LSEHBZPMXLPCMW-QWRGUYRKSA-N -1 1 383.416 0.592 20 0 GCADMM CCc1ncoc1C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571222961 953140769 /nfs/dbraw/zinc/14/07/69/953140769.db2.gz OGZCGOFOFWOWJB-NSHDSACASA-N -1 1 383.416 0.854 20 0 GCADMM CCc1ncoc1C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571222961 953140772 /nfs/dbraw/zinc/14/07/72/953140772.db2.gz OGZCGOFOFWOWJB-NSHDSACASA-N -1 1 383.416 0.854 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H]2CC)co1 ZINC001571223166 953142332 /nfs/dbraw/zinc/14/23/32/953142332.db2.gz OWYUSQAEMYOHHZ-CMPLNLGQSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H]2CC)co1 ZINC001571223166 953142334 /nfs/dbraw/zinc/14/23/34/953142334.db2.gz OWYUSQAEMYOHHZ-CMPLNLGQSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571223297 953142848 /nfs/dbraw/zinc/14/28/48/953142848.db2.gz SOBBQZXLOAIYLK-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571223297 953142851 /nfs/dbraw/zinc/14/28/51/953142851.db2.gz SOBBQZXLOAIYLK-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccon2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571223369 953143669 /nfs/dbraw/zinc/14/36/69/953143669.db2.gz QEWZENSYAGYMJL-DGCLKSJQSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccon2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571223369 953143672 /nfs/dbraw/zinc/14/36/72/953143672.db2.gz QEWZENSYAGYMJL-DGCLKSJQSA-N -1 1 383.416 0.926 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3ocnc3C)[C@H]2C)n1 ZINC001571223394 953143890 /nfs/dbraw/zinc/14/38/90/953143890.db2.gz QQSQCTFWHKDZDI-MNOVXSKESA-N -1 1 383.416 0.913 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3ocnc3C)[C@H]2C)n1 ZINC001571223394 953143893 /nfs/dbraw/zinc/14/38/93/953143893.db2.gz QQSQCTFWHKDZDI-MNOVXSKESA-N -1 1 383.416 0.913 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(=O)c3conc3C)C2)n1 ZINC001571223424 953144092 /nfs/dbraw/zinc/14/40/92/953144092.db2.gz RBPMASDLOKPPOM-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(=O)c3conc3C)C2)n1 ZINC001571223424 953144093 /nfs/dbraw/zinc/14/40/93/953144093.db2.gz RBPMASDLOKPPOM-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM CCc1nc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571223715 953146039 /nfs/dbraw/zinc/14/60/39/953146039.db2.gz TUJRKZNQQBDWTK-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571223718 953146140 /nfs/dbraw/zinc/14/61/40/953146140.db2.gz TUJRKZNQQBDWTK-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CC1(C)CN(C(=O)CCc2ccon2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571223734 953146499 /nfs/dbraw/zinc/14/64/99/953146499.db2.gz UDADURLKSCVOPD-ZDUSSCGKSA-N -1 1 383.416 0.926 20 0 GCADMM CC1(C)CN(C(=O)CCc2ccon2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571223734 953146500 /nfs/dbraw/zinc/14/65/00/953146500.db2.gz UDADURLKSCVOPD-ZDUSSCGKSA-N -1 1 383.416 0.926 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)co1 ZINC001571223690 953146503 /nfs/dbraw/zinc/14/65/03/953146503.db2.gz SQJVMMJOSNFICU-GFCCVEGCSA-N -1 1 383.416 0.852 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)co1 ZINC001571223690 953146505 /nfs/dbraw/zinc/14/65/05/953146505.db2.gz SQJVMMJOSNFICU-GFCCVEGCSA-N -1 1 383.416 0.852 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](CNC(=O)c3cnco3)C2)n1 ZINC001571224084 953148322 /nfs/dbraw/zinc/14/83/22/953148322.db2.gz XWPPSTOCPPSCMF-LLVKDONJSA-N -1 1 383.416 0.854 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](CNC(=O)c3cnco3)C2)n1 ZINC001571224084 953148325 /nfs/dbraw/zinc/14/83/25/953148325.db2.gz XWPPSTOCPPSCMF-LLVKDONJSA-N -1 1 383.416 0.854 20 0 GCADMM CCCc1nc(C)c(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571223965 953148880 /nfs/dbraw/zinc/14/88/80/953148880.db2.gz WFGUUUKADBJGGM-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCCc1nc(C)c(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571223965 953148881 /nfs/dbraw/zinc/14/88/81/953148881.db2.gz WFGUUUKADBJGGM-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c(C)o1 ZINC001571224156 953149123 /nfs/dbraw/zinc/14/91/23/953149123.db2.gz ZPHJIECJGUHBNH-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c(C)o1 ZINC001571224156 953149127 /nfs/dbraw/zinc/14/91/27/953149127.db2.gz ZPHJIECJGUHBNH-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571224670 953150452 /nfs/dbraw/zinc/15/04/52/953150452.db2.gz CKSMQPYKTBYNHZ-LBPRGKRZSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571224670 953150454 /nfs/dbraw/zinc/15/04/54/953150454.db2.gz CKSMQPYKTBYNHZ-LBPRGKRZSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1noc(C)c1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571224678 953150746 /nfs/dbraw/zinc/15/07/46/953150746.db2.gz CQBWZGNUVHSJQE-BXKDBHETSA-N -1 1 383.416 0.764 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)co1 ZINC001571224943 953152224 /nfs/dbraw/zinc/15/22/24/953152224.db2.gz HBFAJUSZEJDQDB-JQWIXIFHSA-N -1 1 383.416 0.585 20 0 GCADMM Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)[nH]1 ZINC001571225271 953152509 /nfs/dbraw/zinc/15/25/09/953152509.db2.gz IZGSSMNFQKFEES-GFCCVEGCSA-N -1 1 383.416 0.237 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571225333 953152681 /nfs/dbraw/zinc/15/26/81/953152681.db2.gz JSCMZAAOCUYJTB-LBPRGKRZSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571225333 953152685 /nfs/dbraw/zinc/15/26/85/953152685.db2.gz JSCMZAAOCUYJTB-LBPRGKRZSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1noc(C)c1C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571225374 953152749 /nfs/dbraw/zinc/15/27/49/953152749.db2.gz KCGLQAWOKDYKAU-UHFFFAOYSA-N -1 1 383.416 0.837 20 0 GCADMM Cc1nc(C(C)C)oc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571225649 953153355 /nfs/dbraw/zinc/15/33/55/953153355.db2.gz MIFNCIOJWLXKEY-PHIMTYICSA-N -1 1 383.416 0.871 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H]([C@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571225655 953153451 /nfs/dbraw/zinc/15/34/51/953153451.db2.gz MMXYASSJDDEANV-RYUDHWBXSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H]([C@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571225655 953153453 /nfs/dbraw/zinc/15/34/53/953153453.db2.gz MMXYASSJDDEANV-RYUDHWBXSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1noc(C)c1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571225911 953154742 /nfs/dbraw/zinc/15/47/42/953154742.db2.gz OEWBKGIXXKKATK-CABZTGNLSA-N -1 1 383.416 0.789 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571226646 953157120 /nfs/dbraw/zinc/15/71/20/953157120.db2.gz ULMQUFZEYKFLPY-UHFFFAOYSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571226646 953157121 /nfs/dbraw/zinc/15/71/21/953157121.db2.gz ULMQUFZEYKFLPY-UHFFFAOYSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)c(C)[nH]1 ZINC001571226957 953157856 /nfs/dbraw/zinc/15/78/56/953157856.db2.gz XUOGFQCDVQYFKW-GFCCVEGCSA-N -1 1 383.416 0.237 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)c(C)[nH]1 ZINC001571226957 953157857 /nfs/dbraw/zinc/15/78/57/953157857.db2.gz XUOGFQCDVQYFKW-GFCCVEGCSA-N -1 1 383.416 0.237 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)no1 ZINC001571227133 953158356 /nfs/dbraw/zinc/15/83/56/953158356.db2.gz ZKQFAQFFSSMJCR-ZYHUDNBSSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)no1 ZINC001571227133 953158358 /nfs/dbraw/zinc/15/83/58/953158358.db2.gz ZKQFAQFFSSMJCR-ZYHUDNBSSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571227156 953158412 /nfs/dbraw/zinc/15/84/12/953158412.db2.gz ZXXGICDIFSVCSS-GFCCVEGCSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571227156 953158415 /nfs/dbraw/zinc/15/84/15/953158415.db2.gz ZXXGICDIFSVCSS-GFCCVEGCSA-N -1 1 383.416 0.589 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001571227724 953159180 /nfs/dbraw/zinc/15/91/80/953159180.db2.gz ARHVYDRPQPRBST-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001571227724 953159181 /nfs/dbraw/zinc/15/91/81/953159181.db2.gz ARHVYDRPQPRBST-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001571227742 953159212 /nfs/dbraw/zinc/15/92/12/953159212.db2.gz AZCVFMZANZFMPX-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001571227742 953159214 /nfs/dbraw/zinc/15/92/14/953159214.db2.gz AZCVFMZANZFMPX-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571227865 953160496 /nfs/dbraw/zinc/16/04/96/953160496.db2.gz DRGPZICQAGMQEK-KRWDZBQOSA-N -1 1 383.416 0.074 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571227865 953160502 /nfs/dbraw/zinc/16/05/02/953160502.db2.gz DRGPZICQAGMQEK-KRWDZBQOSA-N -1 1 383.416 0.074 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2[nH]nnc2C)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571227858 953160600 /nfs/dbraw/zinc/16/06/00/953160600.db2.gz DMDDGGLUVHOKCQ-CMPLNLGQSA-N -1 1 383.420 0.179 20 0 GCADMM O=C(CCc1ccon1)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571227881 953160636 /nfs/dbraw/zinc/16/06/36/953160636.db2.gz FBVFNRDBALMVPQ-LBPRGKRZSA-N -1 1 383.416 0.928 20 0 GCADMM O=C(CCc1ccon1)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571227881 953160638 /nfs/dbraw/zinc/16/06/38/953160638.db2.gz FBVFNRDBALMVPQ-LBPRGKRZSA-N -1 1 383.416 0.928 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)nn1 ZINC001571228026 953160701 /nfs/dbraw/zinc/16/07/01/953160701.db2.gz GPVOMYLHACOOHJ-LLVKDONJSA-N -1 1 383.420 0.231 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)nn1 ZINC001571228026 953160702 /nfs/dbraw/zinc/16/07/02/953160702.db2.gz GPVOMYLHACOOHJ-LLVKDONJSA-N -1 1 383.420 0.231 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)Cc1nnc[nH]1 ZINC001571228105 953161416 /nfs/dbraw/zinc/16/14/16/953161416.db2.gz INETUABDGLYNFZ-PWSUYJOCSA-N -1 1 383.420 0.199 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228074 953161753 /nfs/dbraw/zinc/16/17/53/953161753.db2.gz HMTUGJZEWJDPNN-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228074 953161754 /nfs/dbraw/zinc/16/17/54/953161754.db2.gz HMTUGJZEWJDPNN-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCn1nncc1C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228241 953162960 /nfs/dbraw/zinc/16/29/60/953162960.db2.gz LOIDHBZHGJVUQN-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCn1nncc1C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228241 953162963 /nfs/dbraw/zinc/16/29/63/953162963.db2.gz LOIDHBZHGJVUQN-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCn1nncc1C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228236 953163078 /nfs/dbraw/zinc/16/30/78/953163078.db2.gz LNBXKKMQIQCRGX-MRXNPFEDSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1nncc1C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228236 953163082 /nfs/dbraw/zinc/16/30/82/953163082.db2.gz LNBXKKMQIQCRGX-MRXNPFEDSA-N -1 1 383.420 0.232 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCCN2C(=O)c2nc[nH]n2)n1 ZINC001571228517 953164563 /nfs/dbraw/zinc/16/45/63/953164563.db2.gz QGWUVSISSCGGTD-SNVBAGLBSA-N -1 1 383.420 0.078 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571228495 953164644 /nfs/dbraw/zinc/16/46/44/953164644.db2.gz PTPPTVOOXSVSIG-MNOVXSKESA-N -1 1 383.420 0.279 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571228495 953164646 /nfs/dbraw/zinc/16/46/46/953164646.db2.gz PTPPTVOOXSVSIG-MNOVXSKESA-N -1 1 383.420 0.279 20 0 GCADMM CN(C(=O)c1cnn(C)n1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571228560 953165303 /nfs/dbraw/zinc/16/53/03/953165303.db2.gz RRLMMBKSKQYVEF-UHFFFAOYSA-N -1 1 383.420 0.281 20 0 GCADMM CN(C(=O)c1cnn(C)n1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571228560 953165305 /nfs/dbraw/zinc/16/53/05/953165305.db2.gz RRLMMBKSKQYVEF-UHFFFAOYSA-N -1 1 383.420 0.281 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)nn1 ZINC001571228645 953165864 /nfs/dbraw/zinc/16/58/64/953165864.db2.gz UQFCUXVVWWOZKV-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)nn1 ZINC001571228645 953165866 /nfs/dbraw/zinc/16/58/66/953165866.db2.gz UQFCUXVVWWOZKV-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571228632 953165973 /nfs/dbraw/zinc/16/59/73/953165973.db2.gz UJTMLQCOIIHKGN-QWRGUYRKSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571228632 953165976 /nfs/dbraw/zinc/16/59/76/953165976.db2.gz UJTMLQCOIIHKGN-QWRGUYRKSA-N -1 1 383.420 0.279 20 0 GCADMM CCCn1cc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001571228613 953166041 /nfs/dbraw/zinc/16/60/41/953166041.db2.gz UFQQZDYTTHNTLY-LLVKDONJSA-N -1 1 383.420 0.057 20 0 GCADMM CCCn1cc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001571228613 953166044 /nfs/dbraw/zinc/16/60/44/953166044.db2.gz UFQQZDYTTHNTLY-LLVKDONJSA-N -1 1 383.420 0.057 20 0 GCADMM Cn1cccc1C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228629 953166083 /nfs/dbraw/zinc/16/60/83/953166083.db2.gz UJMAXPCXTAKGJE-QGZVFWFLSA-N -1 1 383.416 0.074 20 0 GCADMM Cn1cccc1C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228629 953166084 /nfs/dbraw/zinc/16/60/84/953166084.db2.gz UJMAXPCXTAKGJE-QGZVFWFLSA-N -1 1 383.416 0.074 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)nn1 ZINC001571228644 953166086 /nfs/dbraw/zinc/16/60/86/953166086.db2.gz UQFCUXVVWWOZKV-LLVKDONJSA-N -1 1 383.420 0.375 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)nn1 ZINC001571228644 953166087 /nfs/dbraw/zinc/16/60/87/953166087.db2.gz UQFCUXVVWWOZKV-LLVKDONJSA-N -1 1 383.420 0.375 20 0 GCADMM CCn1cc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)nn1 ZINC001571228794 953166799 /nfs/dbraw/zinc/16/67/99/953166799.db2.gz VQBFXECSQXKHJO-LLVKDONJSA-N -1 1 383.420 0.293 20 0 GCADMM CCn1cc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)nn1 ZINC001571228794 953166803 /nfs/dbraw/zinc/16/68/03/953166803.db2.gz VQBFXECSQXKHJO-LLVKDONJSA-N -1 1 383.420 0.293 20 0 GCADMM O=C(Cc1ccon1)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228854 953166949 /nfs/dbraw/zinc/16/69/49/953166949.db2.gz WUHFCVUKZRRPMM-GFCCVEGCSA-N -1 1 383.416 0.928 20 0 GCADMM O=C(Cc1ccon1)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228854 953166952 /nfs/dbraw/zinc/16/69/52/953166952.db2.gz WUHFCVUKZRRPMM-GFCCVEGCSA-N -1 1 383.416 0.928 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001571229016 953167639 /nfs/dbraw/zinc/16/76/39/953167639.db2.gz YHQWHNBCFLPWKF-MEDUHNTESA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001571229016 953167642 /nfs/dbraw/zinc/16/76/42/953167642.db2.gz YHQWHNBCFLPWKF-MEDUHNTESA-N -1 1 383.420 0.160 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571229097 953168295 /nfs/dbraw/zinc/16/82/95/953168295.db2.gz ZYCRKKKMFKHXIR-WDEREUQCSA-N -1 1 383.420 0.088 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571229097 953168297 /nfs/dbraw/zinc/16/82/97/953168297.db2.gz ZYCRKKKMFKHXIR-WDEREUQCSA-N -1 1 383.420 0.088 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571229180 953168670 /nfs/dbraw/zinc/16/86/70/953168670.db2.gz AJPOLQWNCXXVLY-MWLCHTKSSA-N -1 1 383.420 0.294 20 0 GCADMM Cn1ncc(C(=O)N2CCCCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571229390 953169087 /nfs/dbraw/zinc/16/90/87/953169087.db2.gz DJEBUENVTZCNDW-NSHDSACASA-N -1 1 383.420 0.282 20 0 GCADMM Cn1ncc(C(=O)N2CCCCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571229390 953169090 /nfs/dbraw/zinc/16/90/90/953169090.db2.gz DJEBUENVTZCNDW-NSHDSACASA-N -1 1 383.420 0.282 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)c3ncn(C)n3)C2)n1 ZINC001571229336 953169096 /nfs/dbraw/zinc/16/90/96/953169096.db2.gz CJOYIIIJALLKHW-INIZCTEOSA-N -1 1 383.420 0.058 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)c3ncn(C)n3)C2)n1 ZINC001571229336 953169098 /nfs/dbraw/zinc/16/90/98/953169098.db2.gz CJOYIIIJALLKHW-INIZCTEOSA-N -1 1 383.420 0.058 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@@H](NC(=O)c3cn(C)nn3)C2)n1 ZINC001571230187 953174533 /nfs/dbraw/zinc/17/45/33/953174533.db2.gz TYEVBNXMLYTLLZ-GHMZBOCLSA-N -1 1 383.420 0.247 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@@H](NC(=O)c3cn(C)nn3)C2)n1 ZINC001571230187 953174535 /nfs/dbraw/zinc/17/45/35/953174535.db2.gz TYEVBNXMLYTLLZ-GHMZBOCLSA-N -1 1 383.420 0.247 20 0 GCADMM O=C(c1cncs1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571230283 953175507 /nfs/dbraw/zinc/17/55/07/953175507.db2.gz CDXIPRDZFCNUIJ-PHIMTYICSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1cncs1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571230283 953175509 /nfs/dbraw/zinc/17/55/09/953175509.db2.gz CDXIPRDZFCNUIJ-PHIMTYICSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnc(C2CC2)s1 ZINC001571230686 953178945 /nfs/dbraw/zinc/17/89/45/953178945.db2.gz ILMKULBRMRUGGC-JTQLQIEISA-N -1 1 383.441 0.999 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnc(C2CC2)s1 ZINC001571230686 953178948 /nfs/dbraw/zinc/17/89/48/953178948.db2.gz ILMKULBRMRUGGC-JTQLQIEISA-N -1 1 383.441 0.999 20 0 GCADMM O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001571230947 953181722 /nfs/dbraw/zinc/18/17/22/953181722.db2.gz NVDMMNMODSXUGW-YGRLFVJLSA-N -1 1 383.455 0.394 20 0 GCADMM O=C(c1ccsn1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571230938 953181738 /nfs/dbraw/zinc/18/17/38/953181738.db2.gz NPQPIMUQQJKPKZ-ZYHUDNBSSA-N -1 1 383.441 0.854 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)c1ccns1 ZINC001571231208 953184178 /nfs/dbraw/zinc/18/41/78/953184178.db2.gz VISCYNZATCOSSZ-DCAQKATOSA-N -1 1 383.441 0.901 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)c1ccns1 ZINC001571231208 953184180 /nfs/dbraw/zinc/18/41/80/953184180.db2.gz VISCYNZATCOSSZ-DCAQKATOSA-N -1 1 383.441 0.901 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571231502 953184581 /nfs/dbraw/zinc/18/45/81/953184581.db2.gz YRGMBKRBZRBYFN-QMMMGPOBSA-N -1 1 383.434 0.215 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571231502 953184582 /nfs/dbraw/zinc/18/45/82/953184582.db2.gz YRGMBKRBZRBYFN-QMMMGPOBSA-N -1 1 383.434 0.215 20 0 GCADMM Cc1nscc1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571231523 953184788 /nfs/dbraw/zinc/18/47/88/953184788.db2.gz ZHECKFOTILGTHC-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM Cc1nscc1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571231523 953184795 /nfs/dbraw/zinc/18/47/95/953184795.db2.gz ZHECKFOTILGTHC-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM C[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571233682 953194852 /nfs/dbraw/zinc/19/48/52/953194852.db2.gz AJPTYPRFEDNNJG-MGPQQGTHSA-N -1 1 383.460 0.036 20 0 GCADMM C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571234159 953199294 /nfs/dbraw/zinc/19/92/94/953199294.db2.gz OIIANHKUGKQHAY-MJBXVCDLSA-N -1 1 383.460 0.321 20 0 GCADMM CO[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1NC(=O)[C@H]1C[C@@H]1C ZINC001571234638 953203800 /nfs/dbraw/zinc/20/38/00/953203800.db2.gz DXWKZAYENUDMQG-RBXMUDONSA-N -1 1 383.865 0.952 20 0 GCADMM CO[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1NC(=O)[C@H]1C[C@@H]1C ZINC001571234638 953203803 /nfs/dbraw/zinc/20/38/03/953203803.db2.gz DXWKZAYENUDMQG-RBXMUDONSA-N -1 1 383.865 0.952 20 0 GCADMM COc1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1F ZINC001571234893 953207312 /nfs/dbraw/zinc/20/73/12/953207312.db2.gz LXLDTSAOOYRHLO-JTQLQIEISA-N -1 1 384.375 0.553 20 0 GCADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O)C1CCC1 ZINC001571235136 953209654 /nfs/dbraw/zinc/20/96/54/953209654.db2.gz UQIFRNYQXDPUKZ-IUCAKERBSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O)C1CCC1 ZINC001571235136 953209659 /nfs/dbraw/zinc/20/96/59/953209659.db2.gz UQIFRNYQXDPUKZ-IUCAKERBSA-N -1 1 383.865 0.833 20 0 GCADMM CO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)Cc1ccc(C)o1 ZINC001571235343 953211552 /nfs/dbraw/zinc/21/15/52/953211552.db2.gz AOLPBOSMSNAPNG-ZIAGYGMSSA-N -1 1 384.400 0.121 20 0 GCADMM CO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)Cc1ccc(C)o1 ZINC001571235343 953211555 /nfs/dbraw/zinc/21/15/55/953211555.db2.gz AOLPBOSMSNAPNG-ZIAGYGMSSA-N -1 1 384.400 0.121 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2O)CC1 ZINC001571235302 953211628 /nfs/dbraw/zinc/21/16/28/953211628.db2.gz ZOZNWIQUDGERFY-SFYZADRCSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2O)CC1 ZINC001571235302 953211630 /nfs/dbraw/zinc/21/16/30/953211630.db2.gz ZOZNWIQUDGERFY-SFYZADRCSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1csnn1 ZINC001571235284 953211682 /nfs/dbraw/zinc/21/16/82/953211682.db2.gz YZTVTJOITLDHBR-YFKPBYRVSA-N -1 1 383.850 0.837 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccc(F)cc1 ZINC001571235458 953212903 /nfs/dbraw/zinc/21/29/03/953212903.db2.gz FVRVRIUXHZLTNC-GXTWGEPZSA-N -1 1 384.375 0.165 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccc(F)cc1 ZINC001571235458 953212907 /nfs/dbraw/zinc/21/29/07/953212907.db2.gz FVRVRIUXHZLTNC-GXTWGEPZSA-N -1 1 384.375 0.165 20 0 GCADMM CC1(C)Cc2cccc(OCC(=O)NCCn3cnc(-c4nn[n-]n4)n3)c2O1 ZINC001571235667 953214143 /nfs/dbraw/zinc/21/41/43/953214143.db2.gz MNOROGROLFIBRA-UHFFFAOYSA-N -1 1 384.400 0.367 20 0 GCADMM COCc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)o1 ZINC001571235815 953215161 /nfs/dbraw/zinc/21/51/61/953215161.db2.gz PTOSLRSIYXFUIV-PWSUYJOCSA-N -1 1 384.400 0.793 20 0 GCADMM COCc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)o1 ZINC001571235815 953215162 /nfs/dbraw/zinc/21/51/62/953215162.db2.gz PTOSLRSIYXFUIV-PWSUYJOCSA-N -1 1 384.400 0.793 20 0 GCADMM Cc1ccc(F)c(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)c1 ZINC001571235912 953216024 /nfs/dbraw/zinc/21/60/24/953216024.db2.gz REGPTOFPFJTKOQ-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM Cc1ccc(F)c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)c1 ZINC001571235912 953216027 /nfs/dbraw/zinc/21/60/27/953216027.db2.gz REGPTOFPFJTKOQ-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001571236680 953218149 /nfs/dbraw/zinc/21/81/49/953218149.db2.gz BFULCECFTLASFR-NXEZZACHSA-N -1 1 384.404 0.201 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001571236680 953218151 /nfs/dbraw/zinc/21/81/51/953218151.db2.gz BFULCECFTLASFR-NXEZZACHSA-N -1 1 384.404 0.201 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCO[C@@H](c2cnn(C)c2)C1 ZINC001571236935 953218949 /nfs/dbraw/zinc/21/89/49/953218949.db2.gz CYUHIEOBMWWOJO-WCQYABFASA-N -1 1 384.400 0.659 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1 ZINC001571236937 953219027 /nfs/dbraw/zinc/21/90/27/953219027.db2.gz CYUHIEOBMWWOJO-YPMHNXCESA-N -1 1 384.400 0.659 20 0 GCADMM Cc1ccoc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571237137 953220039 /nfs/dbraw/zinc/22/00/39/953220039.db2.gz FOONJKHYJNMLRV-VXGBXAGGSA-N -1 1 384.400 0.322 20 0 GCADMM Cc1occc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237514 953222496 /nfs/dbraw/zinc/22/24/96/953222496.db2.gz JLSGNPLRYDJAIX-QMTHXVAHSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1occc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237514 953222499 /nfs/dbraw/zinc/22/24/99/953222499.db2.gz JLSGNPLRYDJAIX-QMTHXVAHSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1oc(C)c(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)c1C ZINC001571238189 953226433 /nfs/dbraw/zinc/22/64/33/953226433.db2.gz WFJROYAGRGPDIP-CHWSQXEVSA-N -1 1 384.400 0.154 20 0 GCADMM Cc1oc(C)c(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)c1C ZINC001571238189 953226435 /nfs/dbraw/zinc/22/64/35/953226435.db2.gz WFJROYAGRGPDIP-CHWSQXEVSA-N -1 1 384.400 0.154 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2cnon2)n1 ZINC001571238346 953228306 /nfs/dbraw/zinc/22/83/06/953228306.db2.gz AACKERKTPKTTPS-NOZJJQNGSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2cnon2)n1 ZINC001571238346 953228310 /nfs/dbraw/zinc/22/83/10/953228310.db2.gz AACKERKTPKTTPS-NOZJJQNGSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1nonc1CC(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238457 953229023 /nfs/dbraw/zinc/22/90/23/953229023.db2.gz DEAMPCGQOOCASV-WDEREUQCSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nonc1CC(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238457 953229024 /nfs/dbraw/zinc/22/90/24/953229024.db2.gz DEAMPCGQOOCASV-WDEREUQCSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571238471 953229233 /nfs/dbraw/zinc/22/92/33/953229233.db2.gz DNLHEKIGUIFXSU-SNVBAGLBSA-N -1 1 384.404 0.357 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571238471 953229236 /nfs/dbraw/zinc/22/92/36/953229236.db2.gz DNLHEKIGUIFXSU-SNVBAGLBSA-N -1 1 384.404 0.357 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)nn1C ZINC001571238576 953231057 /nfs/dbraw/zinc/23/10/57/953231057.db2.gz HHZNREZOEKCTLW-UWVGGRQHSA-N -1 1 384.404 0.114 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)nn1C ZINC001571238576 953231059 /nfs/dbraw/zinc/23/10/59/953231059.db2.gz HHZNREZOEKCTLW-UWVGGRQHSA-N -1 1 384.404 0.114 20 0 GCADMM COc1nn(C)cc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571238668 953231681 /nfs/dbraw/zinc/23/16/81/953231681.db2.gz JRFSQBQWEIXCQI-JTQLQIEISA-N -1 1 384.404 0.034 20 0 GCADMM COc1nn(C)cc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571238668 953231685 /nfs/dbraw/zinc/23/16/85/953231685.db2.gz JRFSQBQWEIXCQI-JTQLQIEISA-N -1 1 384.404 0.034 20 0 GCADMM Cc1nonc1CC(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238729 953232308 /nfs/dbraw/zinc/23/23/08/953232308.db2.gz LQFMGGOCRPGDFW-NSHDSACASA-N -1 1 384.404 0.241 20 0 GCADMM Cc1nonc1CC(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238729 953232311 /nfs/dbraw/zinc/23/23/11/953232311.db2.gz LQFMGGOCRPGDFW-NSHDSACASA-N -1 1 384.404 0.241 20 0 GCADMM Cn1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)[nH]c1=O ZINC001571238719 953232315 /nfs/dbraw/zinc/23/23/15/953232315.db2.gz LDAXTEXRXZSJEQ-JTQLQIEISA-N -1 1 384.404 0.203 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238802 953232991 /nfs/dbraw/zinc/23/29/91/953232991.db2.gz MZOCAPQHCJDUPV-CABZTGNLSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238802 953232995 /nfs/dbraw/zinc/23/29/95/953232995.db2.gz MZOCAPQHCJDUPV-CABZTGNLSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571238825 953233450 /nfs/dbraw/zinc/23/34/50/953233450.db2.gz NDXYKBFDSFGEBT-UHFFFAOYSA-N -1 1 384.404 0.040 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571238825 953233454 /nfs/dbraw/zinc/23/34/54/953233454.db2.gz NDXYKBFDSFGEBT-UHFFFAOYSA-N -1 1 384.404 0.040 20 0 GCADMM COc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571238961 953234985 /nfs/dbraw/zinc/23/49/85/953234985.db2.gz OOZQZIRXYITSPI-AOOOYVTPSA-N -1 1 384.404 0.019 20 0 GCADMM COc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571238961 953234991 /nfs/dbraw/zinc/23/49/91/953234991.db2.gz OOZQZIRXYITSPI-AOOOYVTPSA-N -1 1 384.404 0.019 20 0 GCADMM Cn1cc(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)[nH]c1=O ZINC001571239071 953235541 /nfs/dbraw/zinc/23/55/41/953235541.db2.gz PWEWVIRXCVSGED-MRXNPFEDSA-N -1 1 384.404 0.060 20 0 GCADMM Cc1nonc1C(=O)N1CCC(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571239052 953235974 /nfs/dbraw/zinc/23/59/74/953235974.db2.gz PQTABVSQTBXUSS-UHFFFAOYSA-N -1 1 384.404 0.621 20 0 GCADMM Cc1nonc1C(=O)N1CCC(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571239052 953235975 /nfs/dbraw/zinc/23/59/75/953235975.db2.gz PQTABVSQTBXUSS-UHFFFAOYSA-N -1 1 384.404 0.621 20 0 GCADMM COc1c(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cnn1C ZINC001571239480 953239685 /nfs/dbraw/zinc/23/96/85/953239685.db2.gz VCUMFVANSAWFJL-UHFFFAOYSA-N -1 1 384.404 0.116 20 0 GCADMM COc1c(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cnn1C ZINC001571239480 953239687 /nfs/dbraw/zinc/23/96/87/953239687.db2.gz VCUMFVANSAWFJL-UHFFFAOYSA-N -1 1 384.404 0.116 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571239805 953242993 /nfs/dbraw/zinc/24/29/93/953242993.db2.gz YJZJFTTXETUMLL-UHFFFAOYSA-N -1 1 384.404 0.018 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571239805 953242996 /nfs/dbraw/zinc/24/29/96/953242996.db2.gz YJZJFTTXETUMLL-UHFFFAOYSA-N -1 1 384.404 0.018 20 0 GCADMM O=C(c1cnsn1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571241730 953248924 /nfs/dbraw/zinc/24/89/24/953248924.db2.gz JYVRANPQXQOHQB-RYUDHWBXSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnsn1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571241730 953248926 /nfs/dbraw/zinc/24/89/26/953248926.db2.gz JYVRANPQXQOHQB-RYUDHWBXSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001571241827 953250588 /nfs/dbraw/zinc/25/05/88/953250588.db2.gz MIHMTSUJZLVCCK-OAHLLOKOSA-N -1 1 384.421 0.590 20 0 GCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001571241827 953250591 /nfs/dbraw/zinc/25/05/91/953250591.db2.gz MIHMTSUJZLVCCK-OAHLLOKOSA-N -1 1 384.421 0.590 20 0 GCADMM O=C(c1cnsn1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571242029 953251922 /nfs/dbraw/zinc/25/19/22/953251922.db2.gz TUPHBUGHDBQIBD-ZJUUUORDSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnsn1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571242029 953251925 /nfs/dbraw/zinc/25/19/25/953251925.db2.gz TUPHBUGHDBQIBD-ZJUUUORDSA-N -1 1 384.429 0.392 20 0 GCADMM C[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571242062 953252903 /nfs/dbraw/zinc/25/29/03/953252903.db2.gz APHACPKNYMPNAL-VGBQHSPPSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571242062 953252907 /nfs/dbraw/zinc/25/29/07/953252907.db2.gz APHACPKNYMPNAL-VGBQHSPPSA-N -1 1 384.444 0.446 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CCC4)C2)n1 ZINC001571242075 953252929 /nfs/dbraw/zinc/25/29/29/953252929.db2.gz AUVYBVPKORGQBJ-CYZMBNFOSA-N -1 1 384.444 0.075 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CCC4)C2)n1 ZINC001571242075 953252932 /nfs/dbraw/zinc/25/29/32/953252932.db2.gz AUVYBVPKORGQBJ-CYZMBNFOSA-N -1 1 384.444 0.075 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571242065 953253009 /nfs/dbraw/zinc/25/30/09/953253009.db2.gz ARYRDSCUVXDDNE-MUGBGTHKSA-N -1 1 384.444 0.331 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571242065 953253011 /nfs/dbraw/zinc/25/30/11/953253011.db2.gz ARYRDSCUVXDDNE-MUGBGTHKSA-N -1 1 384.444 0.331 20 0 GCADMM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571242059 953253070 /nfs/dbraw/zinc/25/30/70/953253070.db2.gz APHACPKNYMPNAL-CRQFQMBKSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571242059 953253072 /nfs/dbraw/zinc/25/30/72/953253072.db2.gz APHACPKNYMPNAL-CRQFQMBKSA-N -1 1 384.444 0.446 20 0 GCADMM CC1(NC(=O)[C@@H]2C[C@@]23CCOC3)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571242200 953254181 /nfs/dbraw/zinc/25/41/81/953254181.db2.gz CESMMZIPZZIXRE-KPZWWZAWSA-N -1 1 384.444 0.558 20 0 GCADMM CC1(NC(=O)[C@@H]2C[C@@]23CCOC3)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571242200 953254184 /nfs/dbraw/zinc/25/41/84/953254184.db2.gz CESMMZIPZZIXRE-KPZWWZAWSA-N -1 1 384.444 0.558 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC[C@H]2C)n1 ZINC001571242428 953255982 /nfs/dbraw/zinc/25/59/82/953255982.db2.gz GABBQTMNDXOKON-JYKNGBAOSA-N -1 1 384.444 0.331 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC[C@H]2C)n1 ZINC001571242428 953255983 /nfs/dbraw/zinc/25/59/83/953255983.db2.gz GABBQTMNDXOKON-JYKNGBAOSA-N -1 1 384.444 0.331 20 0 GCADMM CCC(=O)N1CC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)[C@H]2COC[C@H]21 ZINC001571242548 953257831 /nfs/dbraw/zinc/25/78/31/953257831.db2.gz IPGWBSJIAYTMPC-QWHCGFSZSA-N -1 1 384.444 0.511 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571242693 953258538 /nfs/dbraw/zinc/25/85/38/953258538.db2.gz LTWUPDGLRXFJKM-XPCVCDNBSA-N -1 1 384.444 0.570 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571242693 953258541 /nfs/dbraw/zinc/25/85/41/953258541.db2.gz LTWUPDGLRXFJKM-XPCVCDNBSA-N -1 1 384.444 0.570 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccnc(-c2nn[n-]n2)n1 ZINC001571242685 953258646 /nfs/dbraw/zinc/25/86/46/953258646.db2.gz LNBNNORLFNHEPB-RMRHIDDWSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571242814 953260076 /nfs/dbraw/zinc/26/00/76/953260076.db2.gz OUNQLGPDRFQUBM-HBYDAFANSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571242814 953260080 /nfs/dbraw/zinc/26/00/80/953260080.db2.gz OUNQLGPDRFQUBM-HBYDAFANSA-N -1 1 384.444 0.413 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571242830 953260177 /nfs/dbraw/zinc/26/01/77/953260177.db2.gz OWZCKHSMBGIEGR-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571242830 953260179 /nfs/dbraw/zinc/26/01/79/953260179.db2.gz OWZCKHSMBGIEGR-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM CO[C@@H]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571242852 953260350 /nfs/dbraw/zinc/26/03/50/953260350.db2.gz PMCZZQMTQRZBND-SFDCQRBFSA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@@H]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571242852 953260354 /nfs/dbraw/zinc/26/03/54/953260354.db2.gz PMCZZQMTQRZBND-SFDCQRBFSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001571242910 953260905 /nfs/dbraw/zinc/26/09/05/953260905.db2.gz QXJURTLZLUMYMC-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001571242910 953260908 /nfs/dbraw/zinc/26/09/08/953260908.db2.gz QXJURTLZLUMYMC-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571242905 953261086 /nfs/dbraw/zinc/26/10/86/953261086.db2.gz QUPKDILUOMELPT-MHDGFBEUSA-N -1 1 384.444 0.873 20 0 GCADMM CC1(C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571242905 953261089 /nfs/dbraw/zinc/26/10/89/953261089.db2.gz QUPKDILUOMELPT-MHDGFBEUSA-N -1 1 384.444 0.873 20 0 GCADMM CN(C(=O)[C@@H]1CC12CCOCC2)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571242967 953261965 /nfs/dbraw/zinc/26/19/65/953261965.db2.gz SBMDANKGKICQBD-STQMWFEESA-N -1 1 384.444 0.511 20 0 GCADMM CN(C(=O)[C@@H]1CC12CCOCC2)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571242967 953261967 /nfs/dbraw/zinc/26/19/67/953261967.db2.gz SBMDANKGKICQBD-STQMWFEESA-N -1 1 384.444 0.511 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571243071 953262617 /nfs/dbraw/zinc/26/26/17/953262617.db2.gz VCTPBBWIPYXBGA-SFDCQRBFSA-N -1 1 384.444 0.651 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571243071 953262620 /nfs/dbraw/zinc/26/26/20/953262620.db2.gz VCTPBBWIPYXBGA-SFDCQRBFSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC001571243018 953262908 /nfs/dbraw/zinc/26/29/08/953262908.db2.gz UCKRHTCETJXSQW-OLZOCXBDSA-N -1 1 384.444 0.812 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)O1 ZINC001571243174 953263146 /nfs/dbraw/zinc/26/31/46/953263146.db2.gz XZNLMLFTBDIQJH-KZULUSFZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)O1 ZINC001571243174 953263148 /nfs/dbraw/zinc/26/31/48/953263148.db2.gz XZNLMLFTBDIQJH-KZULUSFZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)C2(C3CC3)CC2)CCO1 ZINC001571243123 953263461 /nfs/dbraw/zinc/26/34/61/953263461.db2.gz WRXVKFSJVXKFCR-SMDDNHRTSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C2(C3CC3)CC2)CCO1 ZINC001571243123 953263464 /nfs/dbraw/zinc/26/34/64/953263464.db2.gz WRXVKFSJVXKFCR-SMDDNHRTSA-N -1 1 384.444 0.875 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCO[C@@H]2C)n1 ZINC001571243104 953263496 /nfs/dbraw/zinc/26/34/96/953263496.db2.gz WGCUCJPAGGKFNU-MQYQWHSLSA-N -1 1 384.444 0.570 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCO[C@@H]2C)n1 ZINC001571243104 953263498 /nfs/dbraw/zinc/26/34/98/953263498.db2.gz WGCUCJPAGGKFNU-MQYQWHSLSA-N -1 1 384.444 0.570 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571243112 953263502 /nfs/dbraw/zinc/26/35/02/953263502.db2.gz WNWCUCQEULMWMH-MXOJCPGVSA-N -1 1 384.444 0.270 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571243112 953263504 /nfs/dbraw/zinc/26/35/04/953263504.db2.gz WNWCUCQEULMWMH-MXOJCPGVSA-N -1 1 384.444 0.270 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)O1 ZINC001571243175 953263540 /nfs/dbraw/zinc/26/35/40/953263540.db2.gz XZNLMLFTBDIQJH-SGTLLEGYSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)O1 ZINC001571243175 953263541 /nfs/dbraw/zinc/26/35/41/953263541.db2.gz XZNLMLFTBDIQJH-SGTLLEGYSA-N -1 1 384.444 0.653 20 0 GCADMM CCOC1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571243097 953263593 /nfs/dbraw/zinc/26/35/93/953263593.db2.gz WAOKTJYGFVOANI-CYLGZYTISA-N -1 1 384.444 0.698 20 0 GCADMM CCOC1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571243097 953263594 /nfs/dbraw/zinc/26/35/94/953263594.db2.gz WAOKTJYGFVOANI-CYLGZYTISA-N -1 1 384.444 0.698 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCO[C@H]2C)n1 ZINC001571243102 953263660 /nfs/dbraw/zinc/26/36/60/953263660.db2.gz WGCUCJPAGGKFNU-FQUUOJAGSA-N -1 1 384.444 0.570 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCO[C@H]2C)n1 ZINC001571243102 953263663 /nfs/dbraw/zinc/26/36/63/953263663.db2.gz WGCUCJPAGGKFNU-FQUUOJAGSA-N -1 1 384.444 0.570 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571243192 953264339 /nfs/dbraw/zinc/26/43/39/953264339.db2.gz YGWFPUOSQRWRBP-CXTNEJHOSA-N -1 1 384.444 0.366 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571243192 953264340 /nfs/dbraw/zinc/26/43/40/953264340.db2.gz YGWFPUOSQRWRBP-CXTNEJHOSA-N -1 1 384.444 0.366 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571247711 953285684 /nfs/dbraw/zinc/28/56/84/953285684.db2.gz BXJQXPVHYOQUMB-QEJZJMRPSA-N -1 1 384.444 0.796 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571247711 953285687 /nfs/dbraw/zinc/28/56/87/953285687.db2.gz BXJQXPVHYOQUMB-QEJZJMRPSA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@H]1CC12CCOCC2)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571248061 953288893 /nfs/dbraw/zinc/28/88/93/953288893.db2.gz DEXWCJKKYTVFMG-CYBMUJFWSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@H]1CC12CCOCC2)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571248061 953288897 /nfs/dbraw/zinc/28/88/97/953288897.db2.gz DEXWCJKKYTVFMG-CYBMUJFWSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248099 953289824 /nfs/dbraw/zinc/28/98/24/953289824.db2.gz DSKVRPZHIKQGLD-DFHBCGBQSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248099 953289826 /nfs/dbraw/zinc/28/98/26/953289826.db2.gz DSKVRPZHIKQGLD-DFHBCGBQSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571248805 953298075 /nfs/dbraw/zinc/29/80/75/953298075.db2.gz IYQGJIBLFSQSMU-DETPVDSQSA-N -1 1 384.444 0.557 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571248805 953298080 /nfs/dbraw/zinc/29/80/80/953298080.db2.gz IYQGJIBLFSQSMU-DETPVDSQSA-N -1 1 384.444 0.557 20 0 GCADMM O=C(NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571248862 953298120 /nfs/dbraw/zinc/29/81/20/953298120.db2.gz KQVWTJYSNYIMPC-BCUIYNNISA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571248862 953298125 /nfs/dbraw/zinc/29/81/25/953298125.db2.gz KQVWTJYSNYIMPC-BCUIYNNISA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571248863 953298329 /nfs/dbraw/zinc/29/83/29/953298329.db2.gz KQVWTJYSNYIMPC-FOCJUVANSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571248863 953298331 /nfs/dbraw/zinc/29/83/31/953298331.db2.gz KQVWTJYSNYIMPC-FOCJUVANSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001571248915 953298894 /nfs/dbraw/zinc/29/88/94/953298894.db2.gz LUUJANQVYGWOKY-XDQVBPFNSA-N -1 1 384.444 0.779 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001571248915 953298899 /nfs/dbraw/zinc/29/88/99/953298899.db2.gz LUUJANQVYGWOKY-XDQVBPFNSA-N -1 1 384.444 0.779 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571250374 953311393 /nfs/dbraw/zinc/31/13/93/953311393.db2.gz RALAXWOOJVBEMH-KFWWJZLASA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571250374 953311400 /nfs/dbraw/zinc/31/14/00/953311400.db2.gz RALAXWOOJVBEMH-KFWWJZLASA-N -1 1 384.444 0.796 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571250480 953311499 /nfs/dbraw/zinc/31/14/99/953311499.db2.gz RTKYEXRRRYJLGQ-RDBSUJKOSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(C[C@H]1CCCO1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571250393 953311772 /nfs/dbraw/zinc/31/17/72/953311772.db2.gz RFIFLKWIOHJUCK-HZSPNIEDSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@H]1CCCO1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571250393 953311776 /nfs/dbraw/zinc/31/17/76/953311776.db2.gz RFIFLKWIOHJUCK-HZSPNIEDSA-N -1 1 384.444 0.511 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](CO)[C@H]1C ZINC001571251704 953318774 /nfs/dbraw/zinc/31/87/74/953318774.db2.gz UOTZXLKZMKBVFV-YPMHNXCESA-N -1 1 384.444 0.688 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](CO)[C@H]1C ZINC001571251704 953318777 /nfs/dbraw/zinc/31/87/77/953318777.db2.gz UOTZXLKZMKBVFV-YPMHNXCESA-N -1 1 384.444 0.688 20 0 GCADMM O=C(C1CC2(C1)CCOCC2)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571251705 953318783 /nfs/dbraw/zinc/31/87/83/953318783.db2.gz UQZQFEYWKAEDQC-UHFFFAOYSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(C1CC2(C1)CCOCC2)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571251705 953318786 /nfs/dbraw/zinc/31/87/86/953318786.db2.gz UQZQFEYWKAEDQC-UHFFFAOYSA-N -1 1 384.444 0.512 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](CO)[C@@H]1C ZINC001571251703 953319101 /nfs/dbraw/zinc/31/91/01/953319101.db2.gz UOTZXLKZMKBVFV-WCQYABFASA-N -1 1 384.444 0.688 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](CO)[C@@H]1C ZINC001571251703 953319103 /nfs/dbraw/zinc/31/91/03/953319103.db2.gz UOTZXLKZMKBVFV-WCQYABFASA-N -1 1 384.444 0.688 20 0 GCADMM O=C(C[C@H]1CCCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571251770 953319432 /nfs/dbraw/zinc/31/94/32/953319432.db2.gz WMXSFHCBXKNXAB-SYQHCUMBSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(C[C@H]1CCCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571251770 953319437 /nfs/dbraw/zinc/31/94/37/953319437.db2.gz WMXSFHCBXKNXAB-SYQHCUMBSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(CC[C@H]1CCOC1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571251759 953319555 /nfs/dbraw/zinc/31/95/55/953319555.db2.gz WCYJSUBSKPWMGZ-MELADBBJSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(CC[C@H]1CCOC1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571251759 953319560 /nfs/dbraw/zinc/31/95/60/953319560.db2.gz WCYJSUBSKPWMGZ-MELADBBJSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(CC1CC1)N1CCC2(CC1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571252188 953325423 /nfs/dbraw/zinc/32/54/23/953325423.db2.gz YDMOKQWIDPRVRM-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(CC1CC1)N1CCC2(CC1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571252188 953325428 /nfs/dbraw/zinc/32/54/28/953325428.db2.gz YDMOKQWIDPRVRM-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2)[C@H]1CCCCO1 ZINC001571252229 953325436 /nfs/dbraw/zinc/32/54/36/953325436.db2.gz ZHCNXXFTNCUGEK-WRSAYESZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2)[C@H]1CCCCO1 ZINC001571252229 953325440 /nfs/dbraw/zinc/32/54/40/953325440.db2.gz ZHCNXXFTNCUGEK-WRSAYESZSA-N -1 1 384.444 0.701 20 0 GCADMM CCCOc1ccc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571254514 953339772 /nfs/dbraw/zinc/33/97/72/953339772.db2.gz ACTCNCYUPJGAMB-UHFFFAOYSA-N -1 1 385.384 0.234 20 0 GCADMM CCOc1nc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571254744 953341634 /nfs/dbraw/zinc/34/16/34/953341634.db2.gz CNSAZWLALBRLDW-JTQLQIEISA-N -1 1 385.388 0.442 20 0 GCADMM CCOc1nc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571254744 953341637 /nfs/dbraw/zinc/34/16/37/953341637.db2.gz CNSAZWLALBRLDW-JTQLQIEISA-N -1 1 385.388 0.442 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)co1 ZINC001571254937 953343970 /nfs/dbraw/zinc/34/39/70/953343970.db2.gz CWGCWNJKJXUIAB-JTQLQIEISA-N -1 1 385.388 0.313 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)co1 ZINC001571254937 953343973 /nfs/dbraw/zinc/34/39/73/953343973.db2.gz CWGCWNJKJXUIAB-JTQLQIEISA-N -1 1 385.388 0.313 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571255285 953347747 /nfs/dbraw/zinc/34/77/47/953347747.db2.gz HIJGRXYQOZDLHR-VHSXEESVSA-N -1 1 385.388 0.664 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571255285 953347751 /nfs/dbraw/zinc/34/77/51/953347751.db2.gz HIJGRXYQOZDLHR-VHSXEESVSA-N -1 1 385.388 0.664 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cc(F)c[nH]2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571255409 953348443 /nfs/dbraw/zinc/34/84/43/953348443.db2.gz ORGSJRTWTZAMOS-PWSUYJOCSA-N -1 1 385.407 0.899 20 0 GCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cccn(CC(F)(F)F)c1=O ZINC001571255514 953349660 /nfs/dbraw/zinc/34/96/60/953349660.db2.gz MIQOKJSVFUUWFL-UHFFFAOYSA-N -1 1 385.331 0.977 20 0 GCADMM COC(=O)C1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC001571255494 953350230 /nfs/dbraw/zinc/35/02/30/953350230.db2.gz LVJKMIZCSNXHCN-UHFFFAOYSA-N -1 1 385.377 0.006 20 0 GCADMM COC(=O)C1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC001571255494 953350235 /nfs/dbraw/zinc/35/02/35/953350235.db2.gz LVJKMIZCSNXHCN-UHFFFAOYSA-N -1 1 385.377 0.006 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571255986 953360001 /nfs/dbraw/zinc/36/00/01/953360001.db2.gz NPPCJOFUSOIESG-NXEZZACHSA-N -1 1 385.388 0.038 20 0 GCADMM COCc1nocc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571256230 953366233 /nfs/dbraw/zinc/36/62/33/953366233.db2.gz QQHINJXSLPAOLM-JTQLQIEISA-N -1 1 385.388 0.190 20 0 GCADMM COCc1nocc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571256230 953366240 /nfs/dbraw/zinc/36/62/40/953366240.db2.gz QQHINJXSLPAOLM-JTQLQIEISA-N -1 1 385.388 0.190 20 0 GCADMM CCc1nc(NC[C@@H]2CN(C(=O)c3ccon3)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571256251 953368650 /nfs/dbraw/zinc/36/86/50/953368650.db2.gz RDLZLVCXQSSUCX-SNVBAGLBSA-N -1 1 385.388 0.160 20 0 GCADMM CCc1nc(NC[C@@H]2CN(C(=O)c3ccon3)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571256251 953368661 /nfs/dbraw/zinc/36/86/61/953368661.db2.gz RDLZLVCXQSSUCX-SNVBAGLBSA-N -1 1 385.388 0.160 20 0 GCADMM CCc1nnc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC001593654379 953736642 /nfs/dbraw/zinc/73/66/42/953736642.db2.gz DRZXZCHDPJSCGV-POYBYMJQSA-N -1 1 380.348 0.837 20 0 GCADMM O=C([O-])c1cncc(NC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC001594816411 953863955 /nfs/dbraw/zinc/86/39/55/953863955.db2.gz KJELMNPSXFFMFT-OAHLLOKOSA-N -1 1 377.445 0.698 20 0 GCADMM COc1cccc(-c2cc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])n[nH]2)c1 ZINC000643432969 953908944 /nfs/dbraw/zinc/90/89/44/953908944.db2.gz JSTSWWAHRNRRHB-CQSZACIVSA-N -1 1 379.394 0.409 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC001593698767 954088811 /nfs/dbraw/zinc/08/88/11/954088811.db2.gz GHQMVKIGOOWELG-UHFFFAOYSA-N -1 1 399.469 0.285 20 0 GCADMM CN(C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC001593701897 954123621 /nfs/dbraw/zinc/12/36/21/954123621.db2.gz LEILTHLIQBCPRY-QGZVFWFLSA-N -1 1 383.470 0.966 20 0 GCADMM CN([C@@H]1CCN(CC(=O)[O-])C1=O)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001593716669 954228120 /nfs/dbraw/zinc/22/81/20/954228120.db2.gz HAKMWGIMFKPAPD-CYBMUJFWSA-N -1 1 385.461 0.678 20 0 GCADMM C[N@@H+](CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-])[C@@H]1CCSC1 ZINC001593717199 954232918 /nfs/dbraw/zinc/23/29/18/954232918.db2.gz YXVUHXXCHLNWLP-SCVCMEIPSA-N -1 1 397.419 0.546 20 0 GCADMM C[N@H+](CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])[C@@H]1CCSC1 ZINC001593717199 954232927 /nfs/dbraw/zinc/23/29/27/954232927.db2.gz YXVUHXXCHLNWLP-SCVCMEIPSA-N -1 1 397.419 0.546 20 0 GCADMM C[N@@H+](CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])[C@@H]1CCSC1 ZINC001593717199 954232938 /nfs/dbraw/zinc/23/29/38/954232938.db2.gz YXVUHXXCHLNWLP-SCVCMEIPSA-N -1 1 397.419 0.546 20 0 GCADMM CC(C)[C@@H](CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)N1CCN(C)CC1 ZINC001602984406 972010482 /nfs/dbraw/zinc/01/04/82/972010482.db2.gz ZXUVWVFWNNZENG-JKSUJKDBSA-N -1 1 397.520 0.023 20 0 GCADMM CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)c1cn(CC(=O)[O-])nn1 ZINC001593752107 954426203 /nfs/dbraw/zinc/42/62/03/954426203.db2.gz SFDBSALHMNSXSY-UHFFFAOYSA-N -1 1 386.456 0.253 20 0 GCADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCCCc1cn[nH]n1 ZINC001594888383 954484306 /nfs/dbraw/zinc/48/43/06/954484306.db2.gz CIPDRHMCMZXSGR-ZYHUDNBSSA-N -1 1 391.350 0.640 20 0 GCADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc2nccn2c1 ZINC001594888726 954492651 /nfs/dbraw/zinc/49/26/51/954492651.db2.gz GTHHGNVJEOTFQZ-UWVGGRQHSA-N -1 1 385.302 0.466 20 0 GCADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccn2nccc2n1 ZINC001594889793 954508905 /nfs/dbraw/zinc/50/89/05/954508905.db2.gz NDRXARYODWNTIY-KWQFWETISA-N -1 1 385.302 0.466 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)COCc1ccncc1 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/nfs/dbraw/zinc/09/66/47/531096647.db2.gz OAOUUAFJXSLHMG-UHFFFAOYSA-N -1 1 383.451 0.896 20 0 GCADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000562008032 531096901 /nfs/dbraw/zinc/09/69/01/531096901.db2.gz JKZGHUQUSIZIDJ-SNVBAGLBSA-N -1 1 388.471 0.601 20 0 GCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000547484940 531097945 /nfs/dbraw/zinc/09/79/45/531097945.db2.gz KWWPSFYTVLJFPP-UHFFFAOYSA-N -1 1 389.415 0.112 20 0 GCADMM Cn1cnc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)n1 ZINC000547473911 531098091 /nfs/dbraw/zinc/09/80/91/531098091.db2.gz DYICCSLLFGLNDB-UHFFFAOYSA-N -1 1 385.471 0.078 20 0 GCADMM Nc1n[nH]c(CCNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000615015563 531098227 /nfs/dbraw/zinc/09/82/27/531098227.db2.gz SUGJOZHNQILDSM-UHFFFAOYSA-N -1 1 393.256 0.331 20 0 GCADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000547882690 531105210 /nfs/dbraw/zinc/10/52/10/531105210.db2.gz XKWYFVAKYBUQEG-LBPRGKRZSA-N -1 1 387.801 0.824 20 0 GCADMM O=S(=O)(CCCCS(=O)(=O)NC1CCOCC1)[N-]c1ccccn1 ZINC000349569327 531069286 /nfs/dbraw/zinc/06/92/86/531069286.db2.gz VLVRURCQZJEBCK-UHFFFAOYSA-N -1 1 377.488 0.702 20 0 GCADMM CC(C)(NC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1nn[n-]n1 ZINC000542951923 531070742 /nfs/dbraw/zinc/07/07/42/531070742.db2.gz NCKMBZBFUBDSNR-UHFFFAOYSA-N -1 1 381.190 0.958 20 0 GCADMM COc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](F)C2)c1 ZINC000349587563 531072336 /nfs/dbraw/zinc/07/23/36/531072336.db2.gz HFEAPNGOVMZOHP-LBPRGKRZSA-N -1 1 395.478 0.986 20 0 GCADMM C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C[C@@H]1O ZINC000349588477 531072849 /nfs/dbraw/zinc/07/28/49/531072849.db2.gz ATZHAYNEALQXCY-STQMWFEESA-N -1 1 377.488 0.246 20 0 GCADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC000548030316 531108809 /nfs/dbraw/zinc/10/88/09/531108809.db2.gz JEQJFHBUSURNFO-UHFFFAOYSA-N -1 1 384.435 0.912 20 0 GCADMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548210358 531111670 /nfs/dbraw/zinc/11/16/70/531111670.db2.gz MPFCHYBKSYKRDT-SECBINFHSA-N -1 1 388.427 0.175 20 0 GCADMM CCOC(=O)[C@H](C)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000431310627 531115432 /nfs/dbraw/zinc/11/54/32/531115432.db2.gz DMGINHNUMVSUMI-SECBINFHSA-N -1 1 382.435 0.675 20 0 GCADMM COC(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000435131167 531139832 /nfs/dbraw/zinc/13/98/32/531139832.db2.gz YJZYBKQWZMKDKQ-LLVKDONJSA-N -1 1 394.446 0.913 20 0 GCADMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C2CC2)no1 ZINC000432287244 531122203 /nfs/dbraw/zinc/12/22/03/531122203.db2.gz RRNKUKQLPNMRFK-AWEZNQCLSA-N -1 1 386.455 0.629 20 0 GCADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)C(=O)N1CCOCC1 ZINC000674491984 531126347 /nfs/dbraw/zinc/12/63/47/531126347.db2.gz SXKLCJURVMEAKM-CYBMUJFWSA-N -1 1 378.397 0.889 20 0 GCADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000433241216 531128219 /nfs/dbraw/zinc/12/82/19/531128219.db2.gz QHACKMIHZQWORI-MRVPVSSYSA-N -1 1 390.418 0.396 20 0 GCADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000433241216 531128221 /nfs/dbraw/zinc/12/82/21/531128221.db2.gz QHACKMIHZQWORI-MRVPVSSYSA-N -1 1 390.418 0.396 20 0 GCADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2NS(C)(=O)=O)c(F)c1 ZINC000675036695 531129289 /nfs/dbraw/zinc/12/92/89/531129289.db2.gz QQTCKUYYOQLYSW-NOZJJQNGSA-N -1 1 398.453 0.970 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCCC(=O)N2)c(F)c1 ZINC000433440827 531129718 /nfs/dbraw/zinc/12/97/18/531129718.db2.gz AIAMKKPYQTVOTG-SNVBAGLBSA-N -1 1 379.435 0.144 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCCC(=O)N2)c(F)c1 ZINC000433440825 531129806 /nfs/dbraw/zinc/12/98/06/531129806.db2.gz AIAMKKPYQTVOTG-JTQLQIEISA-N -1 1 379.435 0.144 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550100634 531130439 /nfs/dbraw/zinc/13/04/39/531130439.db2.gz BUKXUIGINQVUBI-VIFPVBQESA-N -1 1 386.455 0.910 20 0 GCADMM CN(c1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433501227 531130504 /nfs/dbraw/zinc/13/05/04/531130504.db2.gz ZHPVXTYUPCXNRM-UHFFFAOYSA-N -1 1 386.407 0.563 20 0 GCADMM CCc1cc(=O)[n-]c(SCC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000551100101 531135491 /nfs/dbraw/zinc/13/54/91/531135491.db2.gz ULWKLAUSFBKLMV-GFCCVEGCSA-N -1 1 389.499 0.499 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H]1CN(C)CCO1 ZINC000676237356 531136758 /nfs/dbraw/zinc/13/67/58/531136758.db2.gz JGDJYHSKYACNQQ-GXFFZTMASA-N -1 1 395.478 0.195 20 0 GCADMM Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)c1ccc([O-])cc1F ZINC000436897240 531147201 /nfs/dbraw/zinc/14/72/01/531147201.db2.gz RHEZOFVISYQTQI-UHFFFAOYSA-N -1 1 375.403 0.710 20 0 GCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCOC2)c(OC)c1 ZINC000677750149 531148704 /nfs/dbraw/zinc/14/87/04/531148704.db2.gz REGUPFFVHVTHPE-LBPRGKRZSA-N -1 1 378.472 0.914 20 0 GCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2S(N)(=O)=O)o1 ZINC000553570662 531154101 /nfs/dbraw/zinc/15/41/01/531154101.db2.gz QMTAJEUURQBHEU-UHFFFAOYSA-N -1 1 388.423 0.582 20 0 GCADMM O=S(=O)([N-]c1cccc(S(=O)(=O)Nc2ncccn2)c1)c1c[nH]cn1 ZINC000437673527 531152063 /nfs/dbraw/zinc/15/20/63/531152063.db2.gz MKGHDCNFNXYHJT-UHFFFAOYSA-N -1 1 380.411 0.801 20 0 GCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1cnn(C)c(=O)c1Cl ZINC000438887903 531156440 /nfs/dbraw/zinc/15/64/40/531156440.db2.gz ADFFWHCZLYCJMK-UHFFFAOYSA-N -1 1 379.851 0.295 20 0 GCADMM O=S(=O)([N-]CC(F)(F)F)NC1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000438881107 531156629 /nfs/dbraw/zinc/15/66/29/531156629.db2.gz DKRGRSKYBPIWQD-UHFFFAOYSA-N -1 1 379.368 0.308 20 0 GCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)o1 ZINC000438953367 531157070 /nfs/dbraw/zinc/15/70/70/531157070.db2.gz OJKPFEKLRGNSEZ-CMPLNLGQSA-N -1 1 387.483 0.543 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)o1 ZINC000553738764 531156209 /nfs/dbraw/zinc/15/62/09/531156209.db2.gz ADXDDKLQCQAWCI-LLVKDONJSA-N -1 1 385.829 0.668 20 0 GCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC[S@@]1=O ZINC000439214240 531160105 /nfs/dbraw/zinc/16/01/05/531160105.db2.gz WYJKWWPXRLZARH-STFLBKPXSA-N -1 1 398.503 0.729 20 0 GCADMM C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC[S@]1=O ZINC000439214235 531160130 /nfs/dbraw/zinc/16/01/30/531160130.db2.gz WYJKWWPXRLZARH-MLMJSJRWSA-N -1 1 398.503 0.729 20 0 GCADMM Cn1c2cc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)ccc2[nH]c1=O ZINC000442248864 531185305 /nfs/dbraw/zinc/18/53/05/531185305.db2.gz IFCDNGZXIZOJLK-UHFFFAOYSA-N -1 1 382.423 0.727 20 0 GCADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCS2(=O)=O)c1 ZINC000565724272 531189314 /nfs/dbraw/zinc/18/93/14/531189314.db2.gz FEYAMUULUGUUOU-AWEZNQCLSA-N -1 1 390.483 0.938 20 0 GCADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H](O)[C@@H]1CCOC1 ZINC000685747616 531192839 /nfs/dbraw/zinc/19/28/39/531192839.db2.gz KRKUCEHKALNGSX-BXKDBHETSA-N -1 1 397.280 0.785 20 0 GCADMM CCn1cc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)c(F)c2)cc1C(=O)[O-] ZINC000536660497 531194750 /nfs/dbraw/zinc/19/47/50/531194750.db2.gz LYITZHLAFGQUAF-UHFFFAOYSA-N -1 1 391.402 0.794 20 0 GCADMM CC(F)(F)C[N-]S(=O)(=O)CCCS(=O)(=O)Nc1ccc2nncn2c1 ZINC000566485898 531198354 /nfs/dbraw/zinc/19/83/54/531198354.db2.gz MFMZHNCDPDQARH-UHFFFAOYSA-N -1 1 397.429 0.436 20 0 GCADMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000359928575 209204562 /nfs/dbraw/zinc/20/45/62/209204562.db2.gz VLCVXJOEWYUZAP-UHFFFAOYSA-N -1 1 383.397 0.654 20 0 GCADMM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736994506 598836015 /nfs/dbraw/zinc/83/60/15/598836015.db2.gz JIIARTIWESXPPW-UHFFFAOYSA-N -1 1 387.393 0.206 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736655334 598836401 /nfs/dbraw/zinc/83/64/01/598836401.db2.gz BUCJTUSIBACTBZ-SECBINFHSA-N -1 1 391.450 0.450 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000737201546 598847008 /nfs/dbraw/zinc/84/70/08/598847008.db2.gz UIUBUNKEMGARSL-VIFPVBQESA-N -1 1 394.457 0.162 20 0 GCADMM Cc1oc(NC(=O)COC(=O)COC[C@H]2CCCO2)c(-c2nn[n-]n2)c1C ZINC000737553497 598849862 /nfs/dbraw/zinc/84/98/62/598849862.db2.gz XAZAMCBGUOWVJU-LLVKDONJSA-N -1 1 379.373 0.754 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccccc2OCC2CC2)n(C)c1=O ZINC000737597260 598856026 /nfs/dbraw/zinc/85/60/26/598856026.db2.gz RTDADOGACXCSFT-UHFFFAOYSA-N -1 1 383.412 0.665 20 0 GCADMM O=C(C1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737781628 598874632 /nfs/dbraw/zinc/87/46/32/598874632.db2.gz CDRVAJFOOWPHJK-UHFFFAOYSA-N -1 1 396.860 0.763 20 0 GCADMM O=C(C1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737781628 598874633 /nfs/dbraw/zinc/87/46/33/598874633.db2.gz CDRVAJFOOWPHJK-UHFFFAOYSA-N -1 1 396.860 0.763 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCCC1 ZINC000735921548 598875208 /nfs/dbraw/zinc/87/52/08/598875208.db2.gz UGMHFMGTTSWCJC-ZDUSSCGKSA-N -1 1 379.446 0.187 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCCC1 ZINC000735921548 598875209 /nfs/dbraw/zinc/87/52/09/598875209.db2.gz UGMHFMGTTSWCJC-ZDUSSCGKSA-N -1 1 379.446 0.187 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cccc(C(N)=O)n1 ZINC000737201875 598922663 /nfs/dbraw/zinc/92/26/63/598922663.db2.gz XGYFERHYZGPLHN-UHFFFAOYSA-N -1 1 382.384 0.649 20 0 GCADMM CCc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000736699647 599293358 /nfs/dbraw/zinc/29/33/58/599293358.db2.gz MWONXZDLGVRZCX-LLVKDONJSA-N -1 1 376.402 0.733 20 0 GCADMM CCc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000736699647 599293359 /nfs/dbraw/zinc/29/33/59/599293359.db2.gz MWONXZDLGVRZCX-LLVKDONJSA-N -1 1 376.402 0.733 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H](C)C[C@H](C)O ZINC000737488865 598952395 /nfs/dbraw/zinc/95/23/95/598952395.db2.gz YUXORMALZFIENE-QWRGUYRKSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H](C)C[C@H](C)O ZINC000737488865 598952397 /nfs/dbraw/zinc/95/23/97/598952397.db2.gz YUXORMALZFIENE-QWRGUYRKSA-N -1 1 386.460 0.982 20 0 GCADMM CCO[C@@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCC2 ZINC000736610430 598977624 /nfs/dbraw/zinc/97/76/24/598977624.db2.gz HJKYNHBWBRFNKN-VXGBXAGGSA-N -1 1 389.460 0.438 20 0 GCADMM CCCCn1c(N)c(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)c(=O)[nH]c1=O ZINC000736468735 598979627 /nfs/dbraw/zinc/97/96/27/598979627.db2.gz LNLHGUXYWCBLMC-UHFFFAOYSA-N -1 1 385.388 0.183 20 0 GCADMM CCCCn1c(N)c(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)c(=O)[nH]c1=O ZINC000736468735 598979629 /nfs/dbraw/zinc/97/96/29/598979629.db2.gz LNLHGUXYWCBLMC-UHFFFAOYSA-N -1 1 385.388 0.183 20 0 GCADMM O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738160074 598988773 /nfs/dbraw/zinc/98/87/73/598988773.db2.gz RDTJBGVCXPJZCX-UHFFFAOYSA-N -1 1 378.352 0.566 20 0 GCADMM O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738160074 598988776 /nfs/dbraw/zinc/98/87/76/598988776.db2.gz RDTJBGVCXPJZCX-UHFFFAOYSA-N -1 1 378.352 0.566 20 0 GCADMM CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737162529 599000460 /nfs/dbraw/zinc/00/04/60/599000460.db2.gz MSKOETKXRGQUBL-UHFFFAOYSA-N -1 1 388.409 0.937 20 0 GCADMM CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737162529 599000462 /nfs/dbraw/zinc/00/04/62/599000462.db2.gz MSKOETKXRGQUBL-UHFFFAOYSA-N -1 1 388.409 0.937 20 0 GCADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1-n1nnnc1C ZINC000737105373 599002281 /nfs/dbraw/zinc/00/22/81/599002281.db2.gz YRHCAARBKZIYFT-UHFFFAOYSA-N -1 1 378.356 0.807 20 0 GCADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1-n1nnnc1C ZINC000737105373 599002282 /nfs/dbraw/zinc/00/22/82/599002282.db2.gz YRHCAARBKZIYFT-UHFFFAOYSA-N -1 1 378.356 0.807 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000737793732 599003268 /nfs/dbraw/zinc/00/32/68/599003268.db2.gz ZKMNEOMGXPSURN-GFCCVEGCSA-N -1 1 391.482 0.352 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000737793732 599003270 /nfs/dbraw/zinc/00/32/70/599003270.db2.gz ZKMNEOMGXPSURN-GFCCVEGCSA-N -1 1 391.482 0.352 20 0 GCADMM CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1=O ZINC000736866030 599006056 /nfs/dbraw/zinc/00/60/56/599006056.db2.gz BJKZSGHNZAZNBD-UHFFFAOYSA-N -1 1 390.347 0.348 20 0 GCADMM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736614518 599007698 /nfs/dbraw/zinc/00/76/98/599007698.db2.gz GTILLVZOSGQYJF-GFCCVEGCSA-N -1 1 376.417 0.940 20 0 GCADMM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736614518 599007699 /nfs/dbraw/zinc/00/76/99/599007699.db2.gz GTILLVZOSGQYJF-GFCCVEGCSA-N -1 1 376.417 0.940 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000738259795 599020077 /nfs/dbraw/zinc/02/00/77/599020077.db2.gz WHZPLOIDZMCGJS-UHFFFAOYSA-N -1 1 389.423 0.867 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000738259795 599020079 /nfs/dbraw/zinc/02/00/79/599020079.db2.gz WHZPLOIDZMCGJS-UHFFFAOYSA-N -1 1 389.423 0.867 20 0 GCADMM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737169241 599024270 /nfs/dbraw/zinc/02/42/70/599024270.db2.gz QHMNITBUDRGOFN-LBPRGKRZSA-N -1 1 379.446 0.196 20 0 GCADMM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737169241 599024273 /nfs/dbraw/zinc/02/42/73/599024273.db2.gz QHMNITBUDRGOFN-LBPRGKRZSA-N -1 1 379.446 0.196 20 0 GCADMM Cn1ccnc1[C@](O)(CCNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000737615023 599025772 /nfs/dbraw/zinc/02/57/72/599025772.db2.gz DIBYTYOWIFNZHN-CQSZACIVSA-N -1 1 396.333 0.565 20 0 GCADMM Cn1ccnc1[C@](O)(CCNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000737615023 599025774 /nfs/dbraw/zinc/02/57/74/599025774.db2.gz DIBYTYOWIFNZHN-CQSZACIVSA-N -1 1 396.333 0.565 20 0 GCADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736204921 599027687 /nfs/dbraw/zinc/02/76/87/599027687.db2.gz TWGGTDBXQFLCGK-SNVBAGLBSA-N -1 1 387.425 0.742 20 0 GCADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736204921 599027689 /nfs/dbraw/zinc/02/76/89/599027689.db2.gz TWGGTDBXQFLCGK-SNVBAGLBSA-N -1 1 387.425 0.742 20 0 GCADMM NC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1Cl ZINC000737731636 599031528 /nfs/dbraw/zinc/03/15/28/599031528.db2.gz VFENOSGWOYVSKY-LBPRGKRZSA-N -1 1 385.815 0.989 20 0 GCADMM NC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1Cl ZINC000737731636 599031530 /nfs/dbraw/zinc/03/15/30/599031530.db2.gz VFENOSGWOYVSKY-LBPRGKRZSA-N -1 1 385.815 0.989 20 0 GCADMM O=C(NCc1nn[n-]n1)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738128677 599032560 /nfs/dbraw/zinc/03/25/60/599032560.db2.gz GQHNALSCRGPHJB-UHFFFAOYSA-N -1 1 377.368 0.889 20 0 GCADMM C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[C@@H]1c1ccccc1 ZINC000820767910 599050192 /nfs/dbraw/zinc/05/01/92/599050192.db2.gz KDUZERPTZUWJBK-JSGCOSHPSA-N -1 1 381.440 0.894 20 0 GCADMM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000735835943 599054415 /nfs/dbraw/zinc/05/44/15/599054415.db2.gz SSMMOICDWHPMAY-NSHDSACASA-N -1 1 375.437 0.753 20 0 GCADMM CCOC(=O)C(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000821315756 599057415 /nfs/dbraw/zinc/05/74/15/599057415.db2.gz WPAACRQWWUDNGU-UHFFFAOYSA-N -1 1 382.384 0.022 20 0 GCADMM CCOC(=O)C(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000821315756 599057417 /nfs/dbraw/zinc/05/74/17/599057417.db2.gz WPAACRQWWUDNGU-UHFFFAOYSA-N -1 1 382.384 0.022 20 0 GCADMM C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1cccc(Cl)c1 ZINC000820275077 599064377 /nfs/dbraw/zinc/06/43/77/599064377.db2.gz NCRKKTWAKDMDDK-SECBINFHSA-N -1 1 391.819 0.797 20 0 GCADMM C[C@H]1C[C@@H](c2ccccc2F)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000820665262 599076818 /nfs/dbraw/zinc/07/68/18/599076818.db2.gz FFXGMWCGBSJRSK-GWCFXTLKSA-N -1 1 385.403 0.991 20 0 GCADMM C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1F ZINC000820275075 599096902 /nfs/dbraw/zinc/09/69/02/599096902.db2.gz NBKNVWHMACHWIW-MRVPVSSYSA-N -1 1 377.355 0.758 20 0 GCADMM O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037911 599106707 /nfs/dbraw/zinc/10/67/07/599106707.db2.gz ICLOUUUFBBVUED-NSHDSACASA-N -1 1 384.352 0.160 20 0 GCADMM O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037911 599106708 /nfs/dbraw/zinc/10/67/08/599106708.db2.gz ICLOUUUFBBVUED-NSHDSACASA-N -1 1 384.352 0.160 20 0 GCADMM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000736888257 599108156 /nfs/dbraw/zinc/10/81/56/599108156.db2.gz XAYMGUABTMCJDO-UHFFFAOYSA-N -1 1 385.409 0.373 20 0 GCADMM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000736888257 599108158 /nfs/dbraw/zinc/10/81/58/599108158.db2.gz XAYMGUABTMCJDO-UHFFFAOYSA-N -1 1 385.409 0.373 20 0 GCADMM COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737109993 599108707 /nfs/dbraw/zinc/10/87/07/599108707.db2.gz QXNXNHDVNUQKKD-UHFFFAOYSA-N -1 1 384.396 0.914 20 0 GCADMM COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737109993 599108709 /nfs/dbraw/zinc/10/87/09/599108709.db2.gz QXNXNHDVNUQKKD-UHFFFAOYSA-N -1 1 384.396 0.914 20 0 GCADMM CCO[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCCC2 ZINC000736611889 599119511 /nfs/dbraw/zinc/11/95/11/599119511.db2.gz KPHAWDCQKQIWPC-NWDGAFQWSA-N -1 1 389.460 0.804 20 0 GCADMM Cn1ncnc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737626464 599124882 /nfs/dbraw/zinc/12/48/82/599124882.db2.gz DCHNZZPZRXNFTG-UHFFFAOYSA-N -1 1 382.388 0.565 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)NCC(F)(F)F ZINC000736156918 599140656 /nfs/dbraw/zinc/14/06/56/599140656.db2.gz FZLLTQQKEVDIFL-LURJTMIESA-N -1 1 387.278 0.195 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)NCC(F)(F)F ZINC000736156918 599140658 /nfs/dbraw/zinc/14/06/58/599140658.db2.gz FZLLTQQKEVDIFL-LURJTMIESA-N -1 1 387.278 0.195 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)o1 ZINC000821637790 599166628 /nfs/dbraw/zinc/16/66/28/599166628.db2.gz UDJCZZMWTCBMJL-UHFFFAOYSA-N -1 1 380.361 0.437 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2C[C@H]2c2c(F)cccc2F)n(C)c1=O ZINC000737598082 599171812 /nfs/dbraw/zinc/17/18/12/599171812.db2.gz YFGLHVHPGWNFQR-XCBNKYQSSA-N -1 1 375.339 0.510 20 0 GCADMM COC(=O)[C@@H]1CCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736911805 599176866 /nfs/dbraw/zinc/17/68/66/599176866.db2.gz WLSDJOWKJKFTJF-AWEZNQCLSA-N -1 1 396.411 0.628 20 0 GCADMM COC(=O)[C@@H]1CCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736911805 599176867 /nfs/dbraw/zinc/17/68/67/599176867.db2.gz WLSDJOWKJKFTJF-AWEZNQCLSA-N -1 1 396.411 0.628 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2c[nH]c3ccc(F)cc23)n(C)c1=O ZINC000737595599 599206634 /nfs/dbraw/zinc/20/66/34/599206634.db2.gz IPTWOVOOFILWGF-UHFFFAOYSA-N -1 1 384.375 0.539 20 0 GCADMM O=[S@@](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1 ZINC000738356548 599211224 /nfs/dbraw/zinc/21/12/24/599211224.db2.gz FPFYSLHEAGSSFE-VWLOTQADSA-N -1 1 392.466 0.489 20 0 GCADMM O=[S@@](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1 ZINC000738356548 599211225 /nfs/dbraw/zinc/21/12/25/599211225.db2.gz FPFYSLHEAGSSFE-VWLOTQADSA-N -1 1 392.466 0.489 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)[nH]1 ZINC000739768900 597018668 /nfs/dbraw/zinc/01/86/68/597018668.db2.gz VCHTXVBOCXCUGD-UHFFFAOYSA-N -1 1 387.392 0.818 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)n1 ZINC000822609827 607273135 /nfs/dbraw/zinc/27/31/35/607273135.db2.gz WDVQMGYMHWVAEY-PWSUYJOCSA-N -1 1 386.420 0.311 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)n1 ZINC000822609827 607273136 /nfs/dbraw/zinc/27/31/36/607273136.db2.gz WDVQMGYMHWVAEY-PWSUYJOCSA-N -1 1 386.420 0.311 20 0 GCADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CC[C@H](C(=O)[O-])C2)cc(C(=O)OC)c1 ZINC000818517166 597528314 /nfs/dbraw/zinc/52/83/14/597528314.db2.gz ZHEMHHVIHVVWTB-QWRGUYRKSA-N -1 1 378.381 0.993 20 0 GCADMM CN(C)c1cccc([C@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000736780482 599266664 /nfs/dbraw/zinc/26/66/64/599266664.db2.gz QUUPZYGRDQMEPI-CQSZACIVSA-N -1 1 396.455 0.672 20 0 GCADMM CC(=O)NC[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000735473936 599269598 /nfs/dbraw/zinc/26/95/98/599269598.db2.gz LSIQTRNTDCXVTB-MFKMUULPSA-N -1 1 391.432 0.240 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820449675 607324045 /nfs/dbraw/zinc/32/40/45/607324045.db2.gz AGPNTAPIAMTCEI-MRVPVSSYSA-N -1 1 394.438 0.939 20 0 GCADMM O=S(=O)(N[C@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573804 607332148 /nfs/dbraw/zinc/33/21/48/607332148.db2.gz YUAPRWOXOMRIOO-NSHDSACASA-N -1 1 396.498 0.985 20 0 GCADMM O=S(=O)(N[C@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573804 607332149 /nfs/dbraw/zinc/33/21/49/607332149.db2.gz YUAPRWOXOMRIOO-NSHDSACASA-N -1 1 396.498 0.985 20 0 GCADMM CCc1nc([C@H]2CN(C(=O)C(=O)Nc3cccc(CC(=O)[O-])c3)CCO2)n[nH]1 ZINC000820492357 598171652 /nfs/dbraw/zinc/17/16/52/598171652.db2.gz HJPRFGDGLMRKFC-CYBMUJFWSA-N -1 1 387.396 0.533 20 0 GCADMM CC(C)[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)[O-] ZINC000820041511 598188750 /nfs/dbraw/zinc/18/87/50/598188750.db2.gz HSGJNAJHDHUBRI-MRXNPFEDSA-N -1 1 383.470 0.218 20 0 GCADMM CN(C[C@@H]1OCCc2ccccc21)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736793062 598247192 /nfs/dbraw/zinc/24/71/92/598247192.db2.gz VZXNFZLGGVTEBL-ZDUSSCGKSA-N -1 1 383.412 0.014 20 0 GCADMM COCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736989613 598252285 /nfs/dbraw/zinc/25/22/85/598252285.db2.gz FMVQCGQSDGJKMA-UHFFFAOYSA-N -1 1 398.445 0.241 20 0 GCADMM COCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736989613 598252286 /nfs/dbraw/zinc/25/22/86/598252286.db2.gz FMVQCGQSDGJKMA-UHFFFAOYSA-N -1 1 398.445 0.241 20 0 GCADMM Cc1oc(NC(=O)CN2CCN(c3cccnn3)CC2)c(-c2nn[n-]n2)c1C ZINC000737554007 598258933 /nfs/dbraw/zinc/25/89/33/598258933.db2.gz ZBAGXWMJXKBGCB-UHFFFAOYSA-N -1 1 383.416 0.627 20 0 GCADMM O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738285440 598259327 /nfs/dbraw/zinc/25/93/27/598259327.db2.gz GTACWPCPAMKXFF-UHFFFAOYSA-N -1 1 389.397 0.001 20 0 GCADMM O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738285440 598259329 /nfs/dbraw/zinc/25/93/29/598259329.db2.gz GTACWPCPAMKXFF-UHFFFAOYSA-N -1 1 389.397 0.001 20 0 GCADMM C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000736288442 598261556 /nfs/dbraw/zinc/26/15/56/598261556.db2.gz BQXJOXWGLRZVFY-RYUDHWBXSA-N -1 1 395.489 0.428 20 0 GCADMM C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736288442 598261558 /nfs/dbraw/zinc/26/15/58/598261558.db2.gz BQXJOXWGLRZVFY-RYUDHWBXSA-N -1 1 395.489 0.428 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccncc2)CC1 ZINC000738355302 598261884 /nfs/dbraw/zinc/26/18/84/598261884.db2.gz OBQXMZPGHRSWGK-UHFFFAOYSA-N -1 1 386.441 0.163 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccncc2)CC1 ZINC000738355302 598261886 /nfs/dbraw/zinc/26/18/86/598261886.db2.gz OBQXMZPGHRSWGK-UHFFFAOYSA-N -1 1 386.441 0.163 20 0 GCADMM C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736284746 598261934 /nfs/dbraw/zinc/26/19/34/598261934.db2.gz FFWFNUZRSCLWLM-TXEJJXNPSA-N -1 1 381.462 0.039 20 0 GCADMM CCN(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736530124 598263857 /nfs/dbraw/zinc/26/38/57/598263857.db2.gz YASQYNGAYQNMJF-UHFFFAOYSA-N -1 1 394.461 0.030 20 0 GCADMM CCN(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736530124 598263859 /nfs/dbraw/zinc/26/38/59/598263859.db2.gz YASQYNGAYQNMJF-UHFFFAOYSA-N -1 1 394.461 0.030 20 0 GCADMM O=S(=O)([N-]CCNc1ccc(-c2nn[nH]n2)cn1)c1cccc(F)c1F ZINC000738338757 598264074 /nfs/dbraw/zinc/26/40/74/598264074.db2.gz MDZWJLRDKQSTPT-UHFFFAOYSA-N -1 1 381.368 0.930 20 0 GCADMM CN(Cc1cnn(-c2ccccc2)n1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736830867 598265482 /nfs/dbraw/zinc/26/54/82/598265482.db2.gz BFHOLYJFKADBDV-UHFFFAOYSA-N -1 1 397.424 0.663 20 0 GCADMM CN(Cc1cnn(-c2ccccc2)n1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736830867 598265483 /nfs/dbraw/zinc/26/54/83/598265483.db2.gz BFHOLYJFKADBDV-UHFFFAOYSA-N -1 1 397.424 0.663 20 0 GCADMM NC(=O)c1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737760080 598270954 /nfs/dbraw/zinc/27/09/54/598270954.db2.gz OWFRHECHALJCKO-UHFFFAOYSA-N -1 1 380.773 0.782 20 0 GCADMM NC(=O)c1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737760080 598270955 /nfs/dbraw/zinc/27/09/55/598270955.db2.gz OWFRHECHALJCKO-UHFFFAOYSA-N -1 1 380.773 0.782 20 0 GCADMM COCC[C@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736979360 598284043 /nfs/dbraw/zinc/28/40/43/598284043.db2.gz RQCIBRLAVKSEIO-NSHDSACASA-N -1 1 390.448 0.989 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCN2CCO[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000737186547 598286536 /nfs/dbraw/zinc/28/65/36/598286536.db2.gz JIGFOYNQMFMHSP-VIFPVBQESA-N -1 1 379.446 0.140 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000737769640 598287223 /nfs/dbraw/zinc/28/72/23/598287223.db2.gz APCXSWKTNXTRFW-UHFFFAOYSA-N -1 1 391.277 0.328 20 0 GCADMM COCCNC(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737006615 598297548 /nfs/dbraw/zinc/29/75/48/598297548.db2.gz KVRBYFCMMCPNMX-NSHDSACASA-N -1 1 388.384 0.867 20 0 GCADMM COCCNC(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737006615 598297549 /nfs/dbraw/zinc/29/75/49/598297549.db2.gz KVRBYFCMMCPNMX-NSHDSACASA-N -1 1 388.384 0.867 20 0 GCADMM CC(C)C(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735685572 598300441 /nfs/dbraw/zinc/30/04/41/598300441.db2.gz XUNXBJFZFDXCFK-GFCCVEGCSA-N -1 1 393.473 0.435 20 0 GCADMM CC(C)C(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735685572 598300442 /nfs/dbraw/zinc/30/04/42/598300442.db2.gz XUNXBJFZFDXCFK-GFCCVEGCSA-N -1 1 393.473 0.435 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccccc21 ZINC000737896084 598301189 /nfs/dbraw/zinc/30/11/89/598301189.db2.gz SPAIPCVBQIOWRW-UHFFFAOYSA-N -1 1 385.409 0.129 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccccc21 ZINC000737896084 598301191 /nfs/dbraw/zinc/30/11/91/598301191.db2.gz SPAIPCVBQIOWRW-UHFFFAOYSA-N -1 1 385.409 0.129 20 0 GCADMM CSCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737182984 598306117 /nfs/dbraw/zinc/30/61/17/598306117.db2.gz XDUVWLVSYGTXOX-UHFFFAOYSA-N -1 1 378.462 0.927 20 0 GCADMM Cc1ccn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(=O)c1-c1nn[n-]n1 ZINC000822370507 607349583 /nfs/dbraw/zinc/34/95/83/607349583.db2.gz ZQZFVLKBZSOAFY-UHFFFAOYSA-N -1 1 393.407 0.868 20 0 GCADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC000736222917 598339075 /nfs/dbraw/zinc/33/90/75/598339075.db2.gz HLIMATSZTSQBBX-KBPBESRZSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC000736222917 598339076 /nfs/dbraw/zinc/33/90/76/598339076.db2.gz HLIMATSZTSQBBX-KBPBESRZSA-N -1 1 385.476 0.283 20 0 GCADMM NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737738829 598339840 /nfs/dbraw/zinc/33/98/40/598339840.db2.gz MRIWFYJVSIELTQ-CQSZACIVSA-N -1 1 399.846 0.659 20 0 GCADMM NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737738829 598339842 /nfs/dbraw/zinc/33/98/42/598339842.db2.gz MRIWFYJVSIELTQ-CQSZACIVSA-N -1 1 399.846 0.659 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1OC ZINC000737067123 598341135 /nfs/dbraw/zinc/34/11/35/598341135.db2.gz RPEBJKMBUAZYCF-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1OC ZINC000737067123 598341137 /nfs/dbraw/zinc/34/11/37/598341137.db2.gz RPEBJKMBUAZYCF-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1cc2c(nn1)CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C2 ZINC000737056614 598341568 /nfs/dbraw/zinc/34/15/68/598341568.db2.gz XMSICAHOSVSWNI-UHFFFAOYSA-N -1 1 384.400 0.872 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c(OC)c1 ZINC000737065468 598346660 /nfs/dbraw/zinc/34/66/60/598346660.db2.gz GPMZESMMCYSSQH-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c(OC)c1 ZINC000737065468 598346662 /nfs/dbraw/zinc/34/66/62/598346662.db2.gz GPMZESMMCYSSQH-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM O=C1CCc2cc(OC[C@@H](O)CNc3nccnc3-c3nnn[n-]3)ccc2N1 ZINC000738304230 598348944 /nfs/dbraw/zinc/34/89/44/598348944.db2.gz YBDKKFBODAURKA-NSHDSACASA-N -1 1 382.384 0.393 20 0 GCADMM O=C1CCc2cc(OC[C@@H](O)CNc3nccnc3-c3nn[n-]n3)ccc2N1 ZINC000738304230 598348945 /nfs/dbraw/zinc/34/89/45/598348945.db2.gz YBDKKFBODAURKA-NSHDSACASA-N -1 1 382.384 0.393 20 0 GCADMM Cc1nc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nc2ccccc12 ZINC000737478365 598353412 /nfs/dbraw/zinc/35/34/12/598353412.db2.gz SLOZNKJZNQHFDU-UHFFFAOYSA-N -1 1 379.384 0.128 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCCC[C@H]1C ZINC000736130354 598355547 /nfs/dbraw/zinc/35/55/47/598355547.db2.gz LXNRSXUAJYWAQC-GHMZBOCLSA-N -1 1 379.446 0.330 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCCC[C@H]1C ZINC000736130354 598355549 /nfs/dbraw/zinc/35/55/49/598355549.db2.gz LXNRSXUAJYWAQC-GHMZBOCLSA-N -1 1 379.446 0.330 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCCC[C@@H]1C ZINC000736130358 598355941 /nfs/dbraw/zinc/35/59/41/598355941.db2.gz LXNRSXUAJYWAQC-QWRGUYRKSA-N -1 1 379.446 0.330 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCCC[C@@H]1C ZINC000736130358 598355943 /nfs/dbraw/zinc/35/59/43/598355943.db2.gz LXNRSXUAJYWAQC-QWRGUYRKSA-N -1 1 379.446 0.330 20 0 GCADMM CO[C@H](C)CCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736958076 598362308 /nfs/dbraw/zinc/36/23/08/598362308.db2.gz MZSXMSUSULAELH-LLVKDONJSA-N -1 1 390.448 0.989 20 0 GCADMM CC[C@@H](O)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736382653 598376513 /nfs/dbraw/zinc/37/65/13/598376513.db2.gz NCOOAQRNDTVDCN-SNVBAGLBSA-N -1 1 393.473 0.218 20 0 GCADMM CCc1nn(CC(=O)NC(=O)NC(C)(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706113 598379482 /nfs/dbraw/zinc/37/94/82/598379482.db2.gz UDJZDUSFCPRNNL-UHFFFAOYSA-N -1 1 376.421 0.173 20 0 GCADMM Cc1oc(NC(=O)CN2CCN(Cc3nccn3C)CC2)c(-c2nn[n-]n2)c1C ZINC000737551844 598383696 /nfs/dbraw/zinc/38/36/96/598383696.db2.gz JRQWXAVHJKBZNI-UHFFFAOYSA-N -1 1 399.459 0.566 20 0 GCADMM O=C(CN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)Nc1ccc(F)cc1 ZINC000737884070 598384611 /nfs/dbraw/zinc/38/46/11/598384611.db2.gz SNKCKLXEQMGXMG-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM O=C(CN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)Nc1ccc(F)cc1 ZINC000737884070 598384613 /nfs/dbraw/zinc/38/46/13/598384613.db2.gz SNKCKLXEQMGXMG-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736226125 598385250 /nfs/dbraw/zinc/38/52/50/598385250.db2.gz VNVWQGQJBQQBIU-ZIAGYGMSSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736226125 598385252 /nfs/dbraw/zinc/38/52/52/598385252.db2.gz VNVWQGQJBQQBIU-ZIAGYGMSSA-N -1 1 385.476 0.283 20 0 GCADMM O=S(=O)(NCCOc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337833 598407306 /nfs/dbraw/zinc/40/73/06/598407306.db2.gz HEUKRZAQEQMXPX-UHFFFAOYSA-N -1 1 382.352 0.897 20 0 GCADMM O=S(=O)(NCCOc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337833 598407308 /nfs/dbraw/zinc/40/73/08/598407308.db2.gz HEUKRZAQEQMXPX-UHFFFAOYSA-N -1 1 382.352 0.897 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736609289 598408231 /nfs/dbraw/zinc/40/82/31/598408231.db2.gz FGBBYQRNDIHLQJ-GXTWGEPZSA-N -1 1 397.395 0.959 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736609289 598408233 /nfs/dbraw/zinc/40/82/33/598408233.db2.gz FGBBYQRNDIHLQJ-GXTWGEPZSA-N -1 1 397.395 0.959 20 0 GCADMM O=C(COC(=O)[C@H]1CCOC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737909658 598410412 /nfs/dbraw/zinc/41/04/12/598410412.db2.gz UMHOQANOVLYKCF-NSHDSACASA-N -1 1 383.368 0.571 20 0 GCADMM O=C(COC(=O)[C@H]1CCOC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737909658 598410414 /nfs/dbraw/zinc/41/04/14/598410414.db2.gz UMHOQANOVLYKCF-NSHDSACASA-N -1 1 383.368 0.571 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCN1CCOCC1 ZINC000737199200 598420074 /nfs/dbraw/zinc/42/00/74/598420074.db2.gz FYUXXNDFOVKTEG-UHFFFAOYSA-N -1 1 389.460 0.307 20 0 GCADMM COc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000737097988 598431526 /nfs/dbraw/zinc/43/15/26/598431526.db2.gz ASMQPJVPQNNCBA-UHFFFAOYSA-N -1 1 399.415 0.177 20 0 GCADMM COc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000737097988 598431528 /nfs/dbraw/zinc/43/15/28/598431528.db2.gz ASMQPJVPQNNCBA-UHFFFAOYSA-N -1 1 399.415 0.177 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1csc(I)c1 ZINC000737772329 598474346 /nfs/dbraw/zinc/47/43/46/598474346.db2.gz YERBQGMMZHUMLC-UHFFFAOYSA-N -1 1 387.166 1.000 20 0 GCADMM Nc1n[nH]c(CCCNC(=S)NCCc2cccs2)c1-c1nnn[n-]1 ZINC000737769052 598497757 /nfs/dbraw/zinc/49/77/57/598497757.db2.gz DEJFWOOSYADKFZ-UHFFFAOYSA-N -1 1 377.503 0.873 20 0 GCADMM Nc1n[nH]c(CCCNC(=S)NCCc2cccs2)c1-c1nn[n-]n1 ZINC000737769052 598497758 /nfs/dbraw/zinc/49/77/58/598497758.db2.gz DEJFWOOSYADKFZ-UHFFFAOYSA-N -1 1 377.503 0.873 20 0 GCADMM CCS(=O)(=O)CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736658393 598500087 /nfs/dbraw/zinc/50/00/87/598500087.db2.gz DQHGKOYXHJOROU-UHFFFAOYSA-N -1 1 378.414 0.723 20 0 GCADMM CCS(=O)(=O)CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736658393 598500089 /nfs/dbraw/zinc/50/00/89/598500089.db2.gz DQHGKOYXHJOROU-UHFFFAOYSA-N -1 1 378.414 0.723 20 0 GCADMM O=S(=O)(NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344165 598526549 /nfs/dbraw/zinc/52/65/49/598526549.db2.gz WLFXXFRVFQXUOZ-VIFPVBQESA-N -1 1 391.379 0.424 20 0 GCADMM O=S(=O)(NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344165 598526550 /nfs/dbraw/zinc/52/65/50/598526550.db2.gz WLFXXFRVFQXUOZ-VIFPVBQESA-N -1 1 391.379 0.424 20 0 GCADMM Clc1nsc(N2CCN(c3ccc4nncn4n3)CC2)c1-c1nnn[n-]1 ZINC000737582884 598545630 /nfs/dbraw/zinc/54/56/30/598545630.db2.gz HAYYKDJULMBUBV-UHFFFAOYSA-N -1 1 389.836 0.741 20 0 GCADMM Clc1nsc(N2CCN(c3ccc4nncn4n3)CC2)c1-c1nn[n-]n1 ZINC000737582884 598545632 /nfs/dbraw/zinc/54/56/32/598545632.db2.gz HAYYKDJULMBUBV-UHFFFAOYSA-N -1 1 389.836 0.741 20 0 GCADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000737297316 598587809 /nfs/dbraw/zinc/58/78/09/598587809.db2.gz UWIFGYWSPMPPLC-UHFFFAOYSA-N -1 1 384.377 0.860 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccc3c(c2)OCO3)n(C)c1=O ZINC000737597789 598613619 /nfs/dbraw/zinc/61/36/19/598613619.db2.gz UTUGPOLUWIVCHN-LLVKDONJSA-N -1 1 397.395 0.334 20 0 GCADMM COC(=O)C(C)(C)N(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736889861 598618088 /nfs/dbraw/zinc/61/80/88/598618088.db2.gz WIKTWCKSURTZAS-UHFFFAOYSA-N -1 1 398.427 0.874 20 0 GCADMM COC(=O)C(C)(C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736889861 598618089 /nfs/dbraw/zinc/61/80/89/598618089.db2.gz WIKTWCKSURTZAS-UHFFFAOYSA-N -1 1 398.427 0.874 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)Cc1ncc[nH]1 ZINC000737487888 598623574 /nfs/dbraw/zinc/62/35/74/598623574.db2.gz ORBCLZCDPMYZTQ-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)Cc1ncc[nH]1 ZINC000737487888 598623575 /nfs/dbraw/zinc/62/35/75/598623575.db2.gz ORBCLZCDPMYZTQ-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM CC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](O)c1c(F)cccc1F ZINC000820914897 607361125 /nfs/dbraw/zinc/36/11/25/607361125.db2.gz RPUCONFGFGTZPC-GWCFXTLKSA-N -1 1 378.343 0.365 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCc1ncc[nH]1 ZINC000737488807 598624647 /nfs/dbraw/zinc/62/46/47/598624647.db2.gz XQEPKBPQDNBYJY-UHFFFAOYSA-N -1 1 380.416 0.541 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCc1ncc[nH]1 ZINC000737488807 598624649 /nfs/dbraw/zinc/62/46/49/598624649.db2.gz XQEPKBPQDNBYJY-UHFFFAOYSA-N -1 1 380.416 0.541 20 0 GCADMM Cc1nc2c(s1)[C@@H](N(C)c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CCC2 ZINC000737487775 598628239 /nfs/dbraw/zinc/62/82/39/598628239.db2.gz JCGRPXDETLOADH-JTQLQIEISA-N -1 1 388.457 0.543 20 0 GCADMM CCc1nn(CC(=O)NCC(=O)c2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706009 598640292 /nfs/dbraw/zinc/64/02/92/598640292.db2.gz RSRVTGFOHSQCEQ-UHFFFAOYSA-N -1 1 395.423 0.547 20 0 GCADMM COC(=O)CCc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)no1 ZINC000736919042 598640894 /nfs/dbraw/zinc/64/08/94/598640894.db2.gz NHCFAZMFUWFSBM-UHFFFAOYSA-N -1 1 381.352 0.719 20 0 GCADMM CCc1nn(CC(=O)NCCOCCC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705416 598641319 /nfs/dbraw/zinc/64/13/19/598641319.db2.gz HXEDCYQHLRPSQD-UHFFFAOYSA-N -1 1 391.476 0.727 20 0 GCADMM CCc1nn(Cc2noc(CCC(=O)OC)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707700 598642557 /nfs/dbraw/zinc/64/25/57/598642557.db2.gz RSQWEFMVMLLNJP-UHFFFAOYSA-N -1 1 388.388 0.085 20 0 GCADMM CCc1nn(CC(=O)NC(=O)NCC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705747 598642926 /nfs/dbraw/zinc/64/29/26/598642926.db2.gz OIIMHJJJQXXSCZ-UHFFFAOYSA-N -1 1 376.421 0.030 20 0 GCADMM CCCCOCCNC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736462689 598643080 /nfs/dbraw/zinc/64/30/80/598643080.db2.gz GJFNIQRBEIZHTG-UHFFFAOYSA-N -1 1 377.449 0.481 20 0 GCADMM CCc1nn(Cc2nnnn2Cc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706999 598643530 /nfs/dbraw/zinc/64/35/30/598643530.db2.gz ODDBWGJDFVAUAA-UHFFFAOYSA-N -1 1 392.427 0.631 20 0 GCADMM CCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000821087575 607363581 /nfs/dbraw/zinc/36/35/81/607363581.db2.gz DDVUQGTZTCODEB-GFCCVEGCSA-N -1 1 396.473 0.914 20 0 GCADMM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737744601 598664007 /nfs/dbraw/zinc/66/40/07/598664007.db2.gz MRJCZGSLRGHFPF-LLVKDONJSA-N -1 1 385.409 0.115 20 0 GCADMM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737744601 598664009 /nfs/dbraw/zinc/66/40/09/598664009.db2.gz MRJCZGSLRGHFPF-LLVKDONJSA-N -1 1 385.409 0.115 20 0 GCADMM CC(C)c1ccccc1OCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000735931621 598681085 /nfs/dbraw/zinc/68/10/85/598681085.db2.gz ABNZCNBNNKCZHS-UHFFFAOYSA-N -1 1 385.428 0.878 20 0 GCADMM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736512993 598686621 /nfs/dbraw/zinc/68/66/21/598686621.db2.gz VITYNHGLPNJVJG-SECBINFHSA-N -1 1 389.434 0.204 20 0 GCADMM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)no1 ZINC000737271957 598689184 /nfs/dbraw/zinc/68/91/84/598689184.db2.gz RXEZSNNYBAFMSU-UHFFFAOYSA-N -1 1 395.376 0.561 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(c2cnccn2)CC1 ZINC000738355374 598689699 /nfs/dbraw/zinc/68/96/99/598689699.db2.gz PTRCEJYSEQYGAH-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000737546231 598690151 /nfs/dbraw/zinc/69/01/51/598690151.db2.gz BFZSFLYRZSHMKO-JTQLQIEISA-N -1 1 396.371 0.286 20 0 GCADMM O=C1NCCN1C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000738318510 598692010 /nfs/dbraw/zinc/69/20/10/598692010.db2.gz JWJPVQNFRJULRX-UHFFFAOYSA-N -1 1 395.420 0.184 20 0 GCADMM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737749666 598695285 /nfs/dbraw/zinc/69/52/85/598695285.db2.gz ZCQSPXILBHUQSI-SNVBAGLBSA-N -1 1 382.421 0.672 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000737777255 598718634 /nfs/dbraw/zinc/71/86/34/598718634.db2.gz RGQJZJAXLSSLIV-UHFFFAOYSA-N -1 1 381.400 0.444 20 0 GCADMM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736041790 598756905 /nfs/dbraw/zinc/75/69/05/598756905.db2.gz ZFBSNLNRUXVLCA-QMMMGPOBSA-N -1 1 377.423 0.059 20 0 GCADMM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736041789 598757107 /nfs/dbraw/zinc/75/71/07/598757107.db2.gz ZFBSNLNRUXVLCA-MRVPVSSYSA-N -1 1 377.423 0.059 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1Cn1cncn1 ZINC000737201721 598769675 /nfs/dbraw/zinc/76/96/75/598769675.db2.gz UOQBPWIVAGDPRZ-ZDUSSCGKSA-N -1 1 397.443 0.799 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000737546730 598781497 /nfs/dbraw/zinc/78/14/97/598781497.db2.gz FPUUXDIDXBQLCM-JTQLQIEISA-N -1 1 376.398 0.476 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000737546730 598781499 /nfs/dbraw/zinc/78/14/99/598781499.db2.gz FPUUXDIDXBQLCM-JTQLQIEISA-N -1 1 376.398 0.476 20 0 GCADMM COCCOCCOC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737010449 598786467 /nfs/dbraw/zinc/78/64/67/598786467.db2.gz CNAXDEAZEDWTGU-UHFFFAOYSA-N -1 1 389.416 0.665 20 0 GCADMM COCCOCCOC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737010449 598786468 /nfs/dbraw/zinc/78/64/68/598786468.db2.gz CNAXDEAZEDWTGU-UHFFFAOYSA-N -1 1 389.416 0.665 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000737202299 598808824 /nfs/dbraw/zinc/80/88/24/598808824.db2.gz ZWWPLBZGCWECES-CYBMUJFWSA-N -1 1 397.443 0.972 20 0 GCADMM COCCOCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737005457 598810900 /nfs/dbraw/zinc/81/09/00/598810900.db2.gz GXDYSSSWIADIJJ-UHFFFAOYSA-N -1 1 377.405 0.044 20 0 GCADMM C[C@@H](c1ccc(F)c(F)c1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736197870 598814309 /nfs/dbraw/zinc/81/43/09/598814309.db2.gz CMCVVFFELRJMCC-QMMMGPOBSA-N -1 1 377.355 0.740 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Sc2nccn2Cc2ccccn2)n(C)c1=O ZINC000737593861 598817899 /nfs/dbraw/zinc/81/78/99/598817899.db2.gz UCLAWYYPBKQXPI-UHFFFAOYSA-N -1 1 397.424 0.055 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(C[C@H]2CCCO2)C2CCCC2)n(C)c1=O ZINC000737589121 599322019 /nfs/dbraw/zinc/32/20/19/599322019.db2.gz AOGLISOEUZHEIJ-GFCCVEGCSA-N -1 1 375.433 0.192 20 0 GCADMM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820012308 599341343 /nfs/dbraw/zinc/34/13/43/599341343.db2.gz YURIDVUVSNWDBC-LLVKDONJSA-N -1 1 396.448 0.931 20 0 GCADMM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820012308 599341345 /nfs/dbraw/zinc/34/13/45/599341345.db2.gz YURIDVUVSNWDBC-LLVKDONJSA-N -1 1 396.448 0.931 20 0 GCADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819884606 599343605 /nfs/dbraw/zinc/34/36/05/599343605.db2.gz XQZTUZHMSSCGCH-IUCAKERBSA-N -1 1 391.450 0.448 20 0 GCADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819884606 599343607 /nfs/dbraw/zinc/34/36/07/599343607.db2.gz XQZTUZHMSSCGCH-IUCAKERBSA-N -1 1 391.450 0.448 20 0 GCADMM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000821653419 599345739 /nfs/dbraw/zinc/34/57/39/599345739.db2.gz ARLISLNVWFAQQQ-SNVBAGLBSA-N -1 1 395.416 0.970 20 0 GCADMM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000821653419 599345741 /nfs/dbraw/zinc/34/57/41/599345741.db2.gz ARLISLNVWFAQQQ-SNVBAGLBSA-N -1 1 395.416 0.970 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H](C(F)(F)F)C1 ZINC000823607895 599346359 /nfs/dbraw/zinc/34/63/59/599346359.db2.gz YJGHBTFRSFRCSC-VIFPVBQESA-N -1 1 381.311 0.958 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H](C(F)(F)F)C1 ZINC000823607895 599346361 /nfs/dbraw/zinc/34/63/61/599346361.db2.gz YJGHBTFRSFRCSC-VIFPVBQESA-N -1 1 381.311 0.958 20 0 GCADMM CC(C)N1C(=O)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1(C)C ZINC000820128637 599369047 /nfs/dbraw/zinc/36/90/47/599369047.db2.gz RVQLEWRTYOVFEC-UHFFFAOYSA-N -1 1 379.446 0.282 20 0 GCADMM CC(C)N1C(=O)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1(C)C ZINC000820128637 599369050 /nfs/dbraw/zinc/36/90/50/599369050.db2.gz RVQLEWRTYOVFEC-UHFFFAOYSA-N -1 1 379.446 0.282 20 0 GCADMM O=c1cc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc2sccn21 ZINC000738379472 599401099 /nfs/dbraw/zinc/40/10/99/599401099.db2.gz JJWRVWOSHIQQJA-UHFFFAOYSA-N -1 1 395.452 0.653 20 0 GCADMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)NCc1ccccc1 ZINC000737883557 599403215 /nfs/dbraw/zinc/40/32/15/599403215.db2.gz QULKSQSMGXATDU-UHFFFAOYSA-N -1 1 378.440 0.700 20 0 GCADMM CC1CCN(S(=O)(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)CC1 ZINC000736276178 599405701 /nfs/dbraw/zinc/40/57/01/599405701.db2.gz MRZSHAJTJIWMOV-UHFFFAOYSA-N -1 1 392.489 0.360 20 0 GCADMM CC1CCN(S(=O)(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)CC1 ZINC000736276178 599405704 /nfs/dbraw/zinc/40/57/04/599405704.db2.gz MRZSHAJTJIWMOV-UHFFFAOYSA-N -1 1 392.489 0.360 20 0 GCADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736055208 599472011 /nfs/dbraw/zinc/47/20/11/599472011.db2.gz CRWJOLUOWLKBCN-JTQLQIEISA-N -1 1 389.847 0.985 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821637508 599517719 /nfs/dbraw/zinc/51/77/19/599517719.db2.gz JEHDHGDIRXBXIH-SECBINFHSA-N -1 1 376.398 0.859 20 0 GCADMM Cc1ccccc1[C@H]1C[C@H](C)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000737424112 599529328 /nfs/dbraw/zinc/52/93/28/599529328.db2.gz RSSKIOWLCNFAEU-STQMWFEESA-N -1 1 381.440 0.955 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000737199046 599576138 /nfs/dbraw/zinc/57/61/38/599576138.db2.gz FLZGJFFWISYLCP-NWDGAFQWSA-N -1 1 387.444 0.677 20 0 GCADMM 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599602000 /nfs/dbraw/zinc/60/20/00/599602000.db2.gz BWJNMHLDRHTTMZ-LBPRGKRZSA-N -1 1 390.448 0.989 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1-c1nn[n-]n1 ZINC000737186559 599604525 /nfs/dbraw/zinc/60/45/25/599604525.db2.gz JPPBNGIGXNGWKB-QMMMGPOBSA-N -1 1 377.430 0.428 20 0 GCADMM CC[C@@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)N1CCCC1=O ZINC000820848423 599671375 /nfs/dbraw/zinc/67/13/75/599671375.db2.gz XRRDZXRYZCWRLT-NSHDSACASA-N -1 1 390.400 0.959 20 0 GCADMM O=C1NC(=O)[C@]2(CCC[C@H]2CNc2c3ccccc3nnc2-c2nnn[n-]2)N1 ZINC000823541655 599686104 /nfs/dbraw/zinc/68/61/04/599686104.db2.gz RUNAMDSKRJOTNW-HUTHGQBESA-N -1 1 379.384 0.600 20 0 GCADMM O=C1NC(=O)[C@]2(CCC[C@H]2CNc2c3ccccc3nnc2-c2nn[n-]n2)N1 ZINC000823541655 599686105 /nfs/dbraw/zinc/68/61/05/599686105.db2.gz RUNAMDSKRJOTNW-HUTHGQBESA-N -1 1 379.384 0.600 20 0 GCADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000736215486 599711962 /nfs/dbraw/zinc/71/19/62/599711962.db2.gz 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381.404 0.935 20 0 GCADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000737401744 600299276 /nfs/dbraw/zinc/29/92/76/600299276.db2.gz UFRHARFDJUHEBY-UHFFFAOYSA-N -1 1 382.505 0.328 20 0 GCADMM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)N1CCN(C)CC1 ZINC000736350985 600301067 /nfs/dbraw/zinc/30/10/67/600301067.db2.gz BYZXGBFJNVRMBS-INIZCTEOSA-N -1 1 394.447 0.851 20 0 GCADMM CNC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000737537093 600330175 /nfs/dbraw/zinc/33/01/75/600330175.db2.gz DMFSWGISWPLNHG-DGCLKSJQSA-N -1 1 391.424 0.956 20 0 GCADMM CN1CCN(C[C@H]2CN(S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)CCO2)CC1 ZINC000737525976 600347892 /nfs/dbraw/zinc/34/78/92/600347892.db2.gz JKWZGUYHAVUPAF-KRWDZBQOSA-N -1 1 397.497 0.163 20 0 GCADMM C[C@H](CN(C)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)C(=O)[O-] ZINC000736572162 600372878 /nfs/dbraw/zinc/37/28/78/600372878.db2.gz OLJPFDDFRNLYQN-CYBMUJFWSA-N -1 1 397.497 0.869 20 0 GCADMM 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COc1ccc(CCN2C(=O)C(=O)N(CN3C[C@H](C)[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000832299937 601819527 /nfs/dbraw/zinc/81/95/27/601819527.db2.gz QUXPNFCMBQBTRY-SWLSCSKDSA-N -1 1 389.408 0.639 20 0 GCADMM C[C@@H]1CN(Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)C[C@H]1C(=O)[O-] ZINC000828462512 601820492 /nfs/dbraw/zinc/82/04/92/601820492.db2.gz KFHQCOSCDUSRBZ-ZYHUDNBSSA-N -1 1 383.426 0.455 20 0 GCADMM CC(C)[C@H](NCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000827091787 601824486 /nfs/dbraw/zinc/82/44/86/601824486.db2.gz DBSLQDFJACHDML-DOMZBBRYSA-N -1 1 388.511 0.963 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC[C@@H]1CCOC1 ZINC000825001287 607531983 /nfs/dbraw/zinc/53/19/83/607531983.db2.gz YRVPEJCHEPBLOQ-NEPJUHHUSA-N -1 1 389.489 0.078 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC[C@@H]1CCOC1 ZINC000825001287 607531984 /nfs/dbraw/zinc/53/19/84/607531984.db2.gz YRVPEJCHEPBLOQ-NEPJUHHUSA-N -1 1 389.489 0.078 20 0 GCADMM COC(=O)[C@]1(C)CCN(CCS(=O)(=O)CCN2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000831090305 601923962 /nfs/dbraw/zinc/92/39/62/601923962.db2.gz ZRIOKSDNONCARL-IAGOWNOFSA-N -1 1 390.502 0.083 20 0 GCADMM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000828516620 601940732 /nfs/dbraw/zinc/94/07/32/601940732.db2.gz PDZWBQHDZLWJOO-PIGZYNQJSA-N -1 1 381.454 0.408 20 0 GCADMM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000828432507 601977220 /nfs/dbraw/zinc/97/72/20/601977220.db2.gz NSDWGWRPYFFKKZ-IAQYHMDHSA-N -1 1 388.424 0.038 20 0 GCADMM CN1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2)CC1 ZINC000830954744 602046773 /nfs/dbraw/zinc/04/67/73/602046773.db2.gz HUXQFQCTLSUSKQ-HXUWFJFHSA-N -1 1 388.468 0.696 20 0 GCADMM Cc1ccc([C@H](Cn2ccnc2)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC000826284179 607541594 /nfs/dbraw/zinc/54/15/94/607541594.db2.gz MIDRTZVHOGYVFY-HNNXBMFYSA-N -1 1 392.427 0.829 20 0 GCADMM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC000826284180 607542013 /nfs/dbraw/zinc/54/20/13/607542013.db2.gz MIDRTZVHOGYVFY-OAHLLOKOSA-N -1 1 392.427 0.829 20 0 GCADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000831243171 602063227 /nfs/dbraw/zinc/06/32/27/602063227.db2.gz VQSPRRRDTDXSAW-BMIGLBTASA-N -1 1 382.438 0.932 20 0 GCADMM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000738620114 602121850 /nfs/dbraw/zinc/12/18/50/602121850.db2.gz IMKCQQBRMWDXEU-QGZVFWFLSA-N -1 1 389.452 0.966 20 0 GCADMM CN(Cc1nnn(Cc2ccnc(-c3nnn[n-]3)c2)n1)C(=O)c1ccccc1 ZINC000825999174 607547281 /nfs/dbraw/zinc/54/72/81/607547281.db2.gz PFAWFMPVPPNFHS-UHFFFAOYSA-N -1 1 376.384 0.569 20 0 GCADMM CN(Cc1nnn(Cc2ccnc(-c3nn[n-]n3)c2)n1)C(=O)c1ccccc1 ZINC000825999174 607547283 /nfs/dbraw/zinc/54/72/83/607547283.db2.gz PFAWFMPVPPNFHS-UHFFFAOYSA-N -1 1 376.384 0.569 20 0 GCADMM COC(=O)CN(CC(=O)[O-])C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000831171125 602245883 /nfs/dbraw/zinc/24/58/83/602245883.db2.gz YOBRSYYQTYYJLP-UHFFFAOYSA-N -1 1 378.410 0.958 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NOCc1cccnc1 ZINC000825000528 607575273 /nfs/dbraw/zinc/57/52/73/607575273.db2.gz RRQLVXHDSDMTOG-LBPRGKRZSA-N -1 1 396.415 0.404 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NOCc1cccnc1 ZINC000825000528 607575276 /nfs/dbraw/zinc/57/52/76/607575276.db2.gz RRQLVXHDSDMTOG-LBPRGKRZSA-N -1 1 396.415 0.404 20 0 GCADMM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825395481 607576605 /nfs/dbraw/zinc/57/66/05/607576605.db2.gz QAJZHCCRZSFICE-SECBINFHSA-N -1 1 389.434 0.204 20 0 GCADMM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825395481 607576607 /nfs/dbraw/zinc/57/66/07/607576607.db2.gz QAJZHCCRZSFICE-SECBINFHSA-N -1 1 389.434 0.204 20 0 GCADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCOCC1 ZINC000824158570 607576744 /nfs/dbraw/zinc/57/67/44/607576744.db2.gz YOKWLCFHERIVAU-UHFFFAOYSA-N -1 1 384.437 0.395 20 0 GCADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)N1CCOCC1 ZINC000824158570 607576746 /nfs/dbraw/zinc/57/67/46/607576746.db2.gz YOKWLCFHERIVAU-UHFFFAOYSA-N -1 1 384.437 0.395 20 0 GCADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(NC(=O)[O-])cc3)cnc21 ZINC000738399427 602644764 /nfs/dbraw/zinc/64/47/64/602644764.db2.gz YJVSOYOONOPJNU-UHFFFAOYSA-N -1 1 391.365 0.925 20 0 GCADMM CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825517360 607578633 /nfs/dbraw/zinc/57/86/33/607578633.db2.gz AIUDXSDGKMYYLL-UHFFFAOYSA-N -1 1 398.420 0.905 20 0 GCADMM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825471133 607579586 /nfs/dbraw/zinc/57/95/86/607579586.db2.gz NPCBQHADLIKDNG-UHFFFAOYSA-N -1 1 383.409 0.042 20 0 GCADMM CN(CC(=O)N1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825887541 607580602 /nfs/dbraw/zinc/58/06/02/607580602.db2.gz IMIAQJAULUSBOP-UHFFFAOYSA-N -1 1 384.849 0.763 20 0 GCADMM CN(CC(=O)N1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825887541 607580603 /nfs/dbraw/zinc/58/06/03/607580603.db2.gz IMIAQJAULUSBOP-UHFFFAOYSA-N -1 1 384.849 0.763 20 0 GCADMM C[C@@H]1CN(CCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824984395 607581390 /nfs/dbraw/zinc/58/13/90/607581390.db2.gz JKYMADVJIFHSNG-TXEJJXNPSA-N -1 1 398.464 0.783 20 0 GCADMM O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493675 607577672 /nfs/dbraw/zinc/57/76/72/607577672.db2.gz WZSPQBYPVPHJCU-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493675 607577674 /nfs/dbraw/zinc/57/76/74/607577674.db2.gz WZSPQBYPVPHJCU-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826437219 607582518 /nfs/dbraw/zinc/58/25/18/607582518.db2.gz BBMIPHNUDSTHEK-UHFFFAOYSA-N -1 1 390.400 0.714 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826437219 607582520 /nfs/dbraw/zinc/58/25/20/607582520.db2.gz BBMIPHNUDSTHEK-UHFFFAOYSA-N -1 1 390.400 0.714 20 0 GCADMM CC(C)C(=O)N1CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824178469 607583550 /nfs/dbraw/zinc/58/35/50/607583550.db2.gz TULVZFMXBMCFLG-UHFFFAOYSA-N -1 1 396.448 0.931 20 0 GCADMM CC(C)C(=O)N1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824178469 607583551 /nfs/dbraw/zinc/58/35/51/607583551.db2.gz TULVZFMXBMCFLG-UHFFFAOYSA-N -1 1 396.448 0.931 20 0 GCADMM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826428800 607584101 /nfs/dbraw/zinc/58/41/01/607584101.db2.gz LRTFEHPBWSMHPW-GFCCVEGCSA-N -1 1 380.405 0.438 20 0 GCADMM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826428628 607584143 /nfs/dbraw/zinc/58/41/43/607584143.db2.gz HKQLTYFEWLHBDQ-NSHDSACASA-N -1 1 396.860 0.952 20 0 GCADMM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826428628 607584144 /nfs/dbraw/zinc/58/41/44/607584144.db2.gz HKQLTYFEWLHBDQ-NSHDSACASA-N -1 1 396.860 0.952 20 0 GCADMM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826497085 607584690 /nfs/dbraw/zinc/58/46/90/607584690.db2.gz UGYCNKBZWAHRSH-QMMMGPOBSA-N -1 1 391.862 0.233 20 0 GCADMM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826497085 607584691 /nfs/dbraw/zinc/58/46/91/607584691.db2.gz UGYCNKBZWAHRSH-QMMMGPOBSA-N -1 1 391.862 0.233 20 0 GCADMM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826060712 607585247 /nfs/dbraw/zinc/58/52/47/607585247.db2.gz RIFPJNNULBYIFL-JTQLQIEISA-N -1 1 384.849 0.809 20 0 GCADMM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826060712 607585248 /nfs/dbraw/zinc/58/52/48/607585248.db2.gz RIFPJNNULBYIFL-JTQLQIEISA-N -1 1 384.849 0.809 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)NCc1ccccc1 ZINC000826413089 607587645 /nfs/dbraw/zinc/58/76/45/607587645.db2.gz QLXFLOULVRDCMO-UHFFFAOYSA-N -1 1 390.400 0.601 20 0 GCADMM CCN(CC)C(=O)CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825405477 607588896 /nfs/dbraw/zinc/58/88/96/607588896.db2.gz BNFYCAIXPQYVDY-UHFFFAOYSA-N -1 1 384.437 0.933 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccnc1 ZINC000826437704 607589861 /nfs/dbraw/zinc/58/98/61/607589861.db2.gz XWMQDXDFVSDVDS-UHFFFAOYSA-N -1 1 391.388 0.109 20 0 GCADMM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824909761 607592324 /nfs/dbraw/zinc/59/23/24/607592324.db2.gz UNXDBHDUZOMACZ-IUCAKERBSA-N -1 1 384.849 0.795 20 0 GCADMM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824909761 607592326 /nfs/dbraw/zinc/59/23/26/607592326.db2.gz UNXDBHDUZOMACZ-IUCAKERBSA-N -1 1 384.849 0.795 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)c2ccccc2C1=O ZINC000824052782 607592890 /nfs/dbraw/zinc/59/28/90/607592890.db2.gz RKWHBHIWUYMMFD-SNVBAGLBSA-N -1 1 378.348 0.990 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)c2ccccc2C1=O ZINC000824052782 607592892 /nfs/dbraw/zinc/59/28/92/607592892.db2.gz RKWHBHIWUYMMFD-SNVBAGLBSA-N -1 1 378.348 0.990 20 0 GCADMM CS(=O)(=O)CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826222864 607594049 /nfs/dbraw/zinc/59/40/49/607594049.db2.gz QGAXNUOHTULDQM-UHFFFAOYSA-N -1 1 379.851 0.233 20 0 GCADMM CS(=O)(=O)CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826222864 607594051 /nfs/dbraw/zinc/59/40/51/607594051.db2.gz QGAXNUOHTULDQM-UHFFFAOYSA-N -1 1 379.851 0.233 20 0 GCADMM COc1cc(OC)cc(C(=O)NCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826180910 607596605 /nfs/dbraw/zinc/59/66/05/607596605.db2.gz COENNFCHZHCHOM-UHFFFAOYSA-N -1 1 398.379 0.752 20 0 GCADMM COc1cc(OC)cc(C(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826180910 607596606 /nfs/dbraw/zinc/59/66/06/607596606.db2.gz COENNFCHZHCHOM-UHFFFAOYSA-N -1 1 398.379 0.752 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000826231963 607597875 /nfs/dbraw/zinc/59/78/75/607597875.db2.gz WSSYOROJMPKBBE-DRZSPHRISA-N -1 1 384.396 0.869 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000826231963 607597876 /nfs/dbraw/zinc/59/78/76/607597876.db2.gz WSSYOROJMPKBBE-DRZSPHRISA-N -1 1 384.396 0.869 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826412892 607599702 /nfs/dbraw/zinc/59/97/02/607599702.db2.gz IBLOJNHEUWUCFI-UHFFFAOYSA-N -1 1 392.372 0.423 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826412892 607599703 /nfs/dbraw/zinc/59/97/03/607599703.db2.gz IBLOJNHEUWUCFI-UHFFFAOYSA-N -1 1 392.372 0.423 20 0 GCADMM O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826482366 607602328 /nfs/dbraw/zinc/60/23/28/607602328.db2.gz BUPAFQAZCZRIMS-VIFPVBQESA-N -1 1 390.347 0.442 20 0 GCADMM O=C([O-])NCCCC(=O)[N-]S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000739956304 603046378 /nfs/dbraw/zinc/04/63/78/603046378.db2.gz FQQVKFUMBPTNIU-UHFFFAOYSA-N -1 1 384.458 0.213 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)Nc1cccnc1 ZINC000826412828 607603673 /nfs/dbraw/zinc/60/36/73/607603673.db2.gz FOOLZABMKFBZJL-UHFFFAOYSA-N -1 1 393.816 0.832 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)Nc1cccnc1 ZINC000826412828 607603674 /nfs/dbraw/zinc/60/36/74/607603674.db2.gz FOOLZABMKFBZJL-UHFFFAOYSA-N -1 1 393.816 0.832 20 0 GCADMM Cc1nn(CCO)c2ncc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc12 ZINC000826334865 607604389 /nfs/dbraw/zinc/60/43/89/607604389.db2.gz MSRVNWFWTAXYGR-UHFFFAOYSA-N -1 1 380.368 0.664 20 0 GCADMM Cc1nn(CCO)c2ncc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc12 ZINC000826334865 607604390 /nfs/dbraw/zinc/60/43/90/607604390.db2.gz MSRVNWFWTAXYGR-UHFFFAOYSA-N -1 1 380.368 0.664 20 0 GCADMM NC(=O)c1cccc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826393218 607605471 /nfs/dbraw/zinc/60/54/71/607605471.db2.gz HZLYAWAKUIIOKS-UHFFFAOYSA-N -1 1 390.400 0.626 20 0 GCADMM NC(=O)c1cccc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826393218 607605473 /nfs/dbraw/zinc/60/54/73/607605473.db2.gz HZLYAWAKUIIOKS-UHFFFAOYSA-N -1 1 390.400 0.626 20 0 GCADMM NC(=O)N1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826392236 607605565 /nfs/dbraw/zinc/60/55/65/607605565.db2.gz RHYDWBCVCFIKEJ-UHFFFAOYSA-N -1 1 385.837 0.295 20 0 GCADMM NC(=O)N1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826392236 607605566 /nfs/dbraw/zinc/60/55/66/607605566.db2.gz RHYDWBCVCFIKEJ-UHFFFAOYSA-N -1 1 385.837 0.295 20 0 GCADMM CCS(=O)(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825663227 607606643 /nfs/dbraw/zinc/60/66/43/607606643.db2.gz JPFWODBEIARCNN-UHFFFAOYSA-N -1 1 379.851 0.233 20 0 GCADMM CCS(=O)(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825663227 607606645 /nfs/dbraw/zinc/60/66/45/607606645.db2.gz JPFWODBEIARCNN-UHFFFAOYSA-N -1 1 379.851 0.233 20 0 GCADMM C[C@@]1(c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)NC(=O)NC1=O ZINC000824844307 607609574 /nfs/dbraw/zinc/60/95/74/607609574.db2.gz VOFCBDWQZODGJS-SFHVURJKSA-N -1 1 393.363 0.673 20 0 GCADMM C[C@@]1(c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)NC(=O)NC1=O ZINC000824844307 607609575 /nfs/dbraw/zinc/60/95/75/607609575.db2.gz VOFCBDWQZODGJS-SFHVURJKSA-N -1 1 393.363 0.673 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](C)N1CCOCC1 ZINC000824640452 607609769 /nfs/dbraw/zinc/60/97/69/607609769.db2.gz JAJPFZRDPOELMU-GHMZBOCLSA-N -1 1 384.437 0.393 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](C)N1CCOCC1 ZINC000824640452 607609771 /nfs/dbraw/zinc/60/97/71/607609771.db2.gz JAJPFZRDPOELMU-GHMZBOCLSA-N -1 1 384.437 0.393 20 0 GCADMM NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826391345 607614018 /nfs/dbraw/zinc/61/40/18/607614018.db2.gz HECMMVKIWPUUOL-UHFFFAOYSA-N -1 1 390.400 0.682 20 0 GCADMM NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826391345 607614020 /nfs/dbraw/zinc/61/40/20/607614020.db2.gz HECMMVKIWPUUOL-UHFFFAOYSA-N -1 1 390.400 0.682 20 0 GCADMM COCCN(CCC(=O)OC)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826158048 607615469 /nfs/dbraw/zinc/61/54/69/607615469.db2.gz XUWILUGWASGNSM-UHFFFAOYSA-N -1 1 387.393 0.206 20 0 GCADMM COCCN(CCC(=O)OC)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826158048 607615470 /nfs/dbraw/zinc/61/54/70/607615470.db2.gz XUWILUGWASGNSM-UHFFFAOYSA-N -1 1 387.393 0.206 20 0 GCADMM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824104192 607616286 /nfs/dbraw/zinc/61/62/86/607616286.db2.gz OXXVFRGMOCQBGA-UHFFFAOYSA-N -1 1 398.420 0.903 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825838582 607616921 /nfs/dbraw/zinc/61/69/21/607616921.db2.gz AGRVLEXVKSOOIL-CMPLNLGQSA-N -1 1 396.448 0.931 20 0 GCADMM O=S(=O)(NCCOC[C@H]1CCCO1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491755 607617720 /nfs/dbraw/zinc/61/77/20/607617720.db2.gz ZHEALBZCWKNFSY-SNVBAGLBSA-N -1 1 387.849 0.994 20 0 GCADMM O=S(=O)(NCCOC[C@H]1CCCO1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491755 607617721 /nfs/dbraw/zinc/61/77/21/607617721.db2.gz ZHEALBZCWKNFSY-SNVBAGLBSA-N -1 1 387.849 0.994 20 0 GCADMM C[S@](=O)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826224449 607618622 /nfs/dbraw/zinc/61/86/22/607618622.db2.gz DTCBHTQLJAJZBX-DEOSSOPVSA-N -1 1 397.404 0.932 20 0 GCADMM CN1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1=O ZINC000826029819 607621224 /nfs/dbraw/zinc/62/12/24/607621224.db2.gz XPAXVTPDSAPFLT-SECBINFHSA-N -1 1 390.347 0.395 20 0 GCADMM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826389621 607621979 /nfs/dbraw/zinc/62/19/79/607621979.db2.gz COXAKWFFBHKOFM-BDAKNGLRSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826389621 607621981 /nfs/dbraw/zinc/62/19/81/607621981.db2.gz COXAKWFFBHKOFM-BDAKNGLRSA-N -1 1 384.849 0.843 20 0 GCADMM O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487491 607623966 /nfs/dbraw/zinc/62/39/66/607623966.db2.gz PWFMBLNQZUGBTB-CYBMUJFWSA-N -1 1 377.401 0.888 20 0 GCADMM O=S(=O)(NC[C@@H](O)COc1cccc(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489522 607625529 /nfs/dbraw/zinc/62/55/29/607625529.db2.gz SATWITOUOFDHGT-LLVKDONJSA-N -1 1 394.388 0.119 20 0 GCADMM O=S(=O)(NC[C@@H](O)COc1cccc(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489522 607625530 /nfs/dbraw/zinc/62/55/30/607625530.db2.gz SATWITOUOFDHGT-LLVKDONJSA-N -1 1 394.388 0.119 20 0 GCADMM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826219135 607626531 /nfs/dbraw/zinc/62/65/31/607626531.db2.gz ULHHTQODZXJWGU-ZDUSSCGKSA-N -1 1 376.398 0.282 20 0 GCADMM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826219135 607626533 /nfs/dbraw/zinc/62/65/33/607626533.db2.gz ULHHTQODZXJWGU-ZDUSSCGKSA-N -1 1 376.398 0.282 20 0 GCADMM Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826300419 607629528 /nfs/dbraw/zinc/62/95/28/607629528.db2.gz UPWMVRSJBONFBX-GFCCVEGCSA-N -1 1 390.425 0.288 20 0 GCADMM Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826300419 607629530 /nfs/dbraw/zinc/62/95/30/607629530.db2.gz UPWMVRSJBONFBX-GFCCVEGCSA-N -1 1 390.425 0.288 20 0 GCADMM COc1cccc([C@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826215110 607630837 /nfs/dbraw/zinc/63/08/37/607630837.db2.gz HDGAFFGBRNIQSH-CQSZACIVSA-N -1 1 376.398 0.282 20 0 GCADMM COc1cccc([C@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826215110 607630839 /nfs/dbraw/zinc/63/08/39/607630839.db2.gz HDGAFFGBRNIQSH-CQSZACIVSA-N -1 1 376.398 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/nfs/dbraw/zinc/54/46/79/603544679.db2.gz XPBHFRMKNXYDGV-UHFFFAOYSA-N -1 1 383.426 0.613 20 0 GCADMM O=S(=O)(NCCCOC[C@H]1CCOC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491027 607642108 /nfs/dbraw/zinc/64/21/08/607642108.db2.gz QSPIEAOVWFWZSK-LLVKDONJSA-N -1 1 385.421 0.727 20 0 GCADMM O=S(=O)(NCCCOC[C@@H]1CCOC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491028 607642132 /nfs/dbraw/zinc/64/21/32/607642132.db2.gz QSPIEAOVWFWZSK-NSHDSACASA-N -1 1 385.421 0.727 20 0 GCADMM O=S(=O)(NC[C@@H](O)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488867 607643184 /nfs/dbraw/zinc/64/31/84/607643184.db2.gz AYYKNCCCLYCQPB-GFCCVEGCSA-N -1 1 382.352 0.552 20 0 GCADMM O=S(=O)(NC[C@@H](O)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488867 607643186 /nfs/dbraw/zinc/64/31/86/607643186.db2.gz AYYKNCCCLYCQPB-GFCCVEGCSA-N -1 1 382.352 0.552 20 0 GCADMM CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000825582755 607643911 /nfs/dbraw/zinc/64/39/11/607643911.db2.gz MPWINOLEVLTIEO-UONOGXRCSA-N -1 1 394.457 0.202 20 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GCADMM CCO[C@@H](C)c1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000821346224 606162548 /nfs/dbraw/zinc/16/25/48/606162548.db2.gz DVDHHHJQWYXZJS-QMMMGPOBSA-N -1 1 376.381 0.745 20 0 GCADMM CCO[C@@H](C)c1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC000821346224 606162550 /nfs/dbraw/zinc/16/25/50/606162550.db2.gz DVDHHHJQWYXZJS-QMMMGPOBSA-N -1 1 376.381 0.745 20 0 GCADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)n1 ZINC000821711975 606163308 /nfs/dbraw/zinc/16/33/08/606163308.db2.gz BTCFYKMQLYDTNL-UHFFFAOYSA-N -1 1 380.365 0.418 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccnc(N3CCOCC3)c2)n1 ZINC000822619647 606166505 /nfs/dbraw/zinc/16/65/05/606166505.db2.gz CNVZBTVVIGEMBZ-UHFFFAOYSA-N -1 1 384.404 0.154 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccnc(N3CCOCC3)c2)n1 ZINC000822619647 606166506 /nfs/dbraw/zinc/16/65/06/606166506.db2.gz CNVZBTVVIGEMBZ-UHFFFAOYSA-N -1 1 384.404 0.154 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)N3CCCCC3)CC2)n1 ZINC000822608345 606166824 /nfs/dbraw/zinc/16/68/24/606166824.db2.gz DABOCWYBRNOOHR-UHFFFAOYSA-N -1 1 388.436 0.356 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)N3CCCCC3)CC2)n1 ZINC000822608345 606166827 /nfs/dbraw/zinc/16/68/27/606166827.db2.gz DABOCWYBRNOOHR-UHFFFAOYSA-N -1 1 388.436 0.356 20 0 GCADMM COc1ccc(CNC(=O)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821798533 606168797 /nfs/dbraw/zinc/16/87/97/606168797.db2.gz DNTRDGJFLCWOMN-UHFFFAOYSA-N -1 1 385.388 0.047 20 0 GCADMM COc1ccc(CNC(=O)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821798533 606168798 /nfs/dbraw/zinc/16/87/98/606168798.db2.gz DNTRDGJFLCWOMN-UHFFFAOYSA-N -1 1 385.388 0.047 20 0 GCADMM Cc1ccc(N2CCC[C@H](N(C)C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)nn1 ZINC000822240917 606168990 /nfs/dbraw/zinc/16/89/90/606168990.db2.gz DOFUJDBYTFAZRG-LBPRGKRZSA-N -1 1 397.447 0.831 20 0 GCADMM Cc1ccc(N2CCC[C@H](N(C)C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)nn1 ZINC000822240917 606168992 /nfs/dbraw/zinc/16/89/92/606168992.db2.gz DOFUJDBYTFAZRG-LBPRGKRZSA-N -1 1 397.447 0.831 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2N2CCOCC2)n1 ZINC000822620579 606169366 /nfs/dbraw/zinc/16/93/66/606169366.db2.gz XLZHJJWPUHIBOA-UHFFFAOYSA-N -1 1 383.416 0.759 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2N2CCOCC2)n1 ZINC000822620579 606169367 /nfs/dbraw/zinc/16/93/67/606169367.db2.gz XLZHJJWPUHIBOA-UHFFFAOYSA-N -1 1 383.416 0.759 20 0 GCADMM Cc1ccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)nn1 ZINC000822241137 606169999 /nfs/dbraw/zinc/16/99/99/606169999.db2.gz MBDSESVQDOFAKS-LLVKDONJSA-N -1 1 383.420 0.489 20 0 GCADMM Cc1ccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)nn1 ZINC000822241137 606170001 /nfs/dbraw/zinc/17/00/01/606170001.db2.gz MBDSESVQDOFAKS-LLVKDONJSA-N -1 1 383.420 0.489 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000822620619 606170704 /nfs/dbraw/zinc/17/07/04/606170704.db2.gz ZEMPPIBMURTDMA-UHFFFAOYSA-N -1 1 376.402 0.789 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000822620619 606170705 /nfs/dbraw/zinc/17/07/05/606170705.db2.gz ZEMPPIBMURTDMA-UHFFFAOYSA-N -1 1 376.402 0.789 20 0 GCADMM CCNC(=O)COc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821286593 606171192 /nfs/dbraw/zinc/17/11/92/606171192.db2.gz SJKOLDHLVQDYNO-UHFFFAOYSA-N -1 1 385.388 0.759 20 0 GCADMM CCNC(=O)COc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821286593 606171194 /nfs/dbraw/zinc/17/11/94/606171194.db2.gz SJKOLDHLVQDYNO-UHFFFAOYSA-N -1 1 385.388 0.759 20 0 GCADMM CCOC(=O)c1sc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)nc1C ZINC000821346637 606172856 /nfs/dbraw/zinc/17/28/56/606172856.db2.gz NHVSNBMTLXSASQ-UHFFFAOYSA-N -1 1 391.417 0.864 20 0 GCADMM CCOC(=O)c1sc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)nc1C ZINC000821346637 606172858 /nfs/dbraw/zinc/17/28/58/606172858.db2.gz NHVSNBMTLXSASQ-UHFFFAOYSA-N -1 1 391.417 0.864 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNc2nccc(C(F)(F)F)n2)n1 ZINC000822619790 606173363 /nfs/dbraw/zinc/17/33/63/606173363.db2.gz FUAZERKOHPJKJL-UHFFFAOYSA-N -1 1 397.325 0.643 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNc2nccc(C(F)(F)F)n2)n1 ZINC000822619790 606173364 /nfs/dbraw/zinc/17/33/64/606173364.db2.gz FUAZERKOHPJKJL-UHFFFAOYSA-N -1 1 397.325 0.643 20 0 GCADMM O=S(=O)(CCn1cnc(-c2nn[n-]n2)n1)c1cccc(Br)c1 ZINC000823562495 606204832 /nfs/dbraw/zinc/20/48/32/606204832.db2.gz SDFHUJYACWENQH-UHFFFAOYSA-N -1 1 384.219 0.695 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)[C@@H](C)C3CC3)CC2)o1 ZINC000822423809 606227281 /nfs/dbraw/zinc/22/72/81/606227281.db2.gz PBGARUIMTBBGBK-JTQLQIEISA-N -1 1 389.416 0.401 20 0 GCADMM Cn1cc([C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCO2)cn1 ZINC000822674133 606239536 /nfs/dbraw/zinc/23/95/36/606239536.db2.gz LUYWZKFUHLQTTI-GFCCVEGCSA-N -1 1 393.404 0.502 20 0 GCADMM Cn1cc([C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCO2)cn1 ZINC000822674133 606239538 /nfs/dbraw/zinc/23/95/38/606239538.db2.gz LUYWZKFUHLQTTI-GFCCVEGCSA-N -1 1 393.404 0.502 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](O)COCC2CC2)cc1-c1nn[n-]n1 ZINC000821979617 606292046 /nfs/dbraw/zinc/29/20/46/606292046.db2.gz ULRXPVJEUVMXEK-VIFPVBQESA-N -1 1 380.430 0.207 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000823526113 606296048 /nfs/dbraw/zinc/29/60/48/606296048.db2.gz ZGNGBWISVROXJR-UHFFFAOYSA-N -1 1 393.363 0.983 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])o1 ZINC000821588443 606296229 /nfs/dbraw/zinc/29/62/29/606296229.db2.gz SOIZRUJNRVVMRQ-UHFFFAOYSA-N -1 1 378.370 0.668 20 0 GCADMM CCC[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)c1nn[n-]n1 ZINC000821020536 606304630 /nfs/dbraw/zinc/30/46/30/606304630.db2.gz DHVNEWXORGXWRW-GFCCVEGCSA-N -1 1 394.403 0.419 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCCN(C)C1=O ZINC000822459854 606311574 /nfs/dbraw/zinc/31/15/74/606311574.db2.gz ZEHOOBTXRWRPTQ-AWEZNQCLSA-N -1 1 397.443 0.196 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCN(C)C1=O ZINC000822459854 606311575 /nfs/dbraw/zinc/31/15/75/606311575.db2.gz ZEHOOBTXRWRPTQ-AWEZNQCLSA-N -1 1 397.443 0.196 20 0 GCADMM CCc1nn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518445 606332819 /nfs/dbraw/zinc/33/28/19/606332819.db2.gz UNQNQYLQKYADKD-LLVKDONJSA-N -1 1 395.489 0.220 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823600344 606335020 /nfs/dbraw/zinc/33/50/20/606335020.db2.gz GJSSSDPCRLAIIL-LBPRGKRZSA-N -1 1 380.430 0.220 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823600344 606335022 /nfs/dbraw/zinc/33/50/22/606335022.db2.gz GJSSSDPCRLAIIL-LBPRGKRZSA-N -1 1 380.430 0.220 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823607888 606335311 /nfs/dbraw/zinc/33/53/11/606335311.db2.gz YJABNFQVBSEVRI-GFCCVEGCSA-N -1 1 397.432 0.964 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823607888 606335312 /nfs/dbraw/zinc/33/53/12/606335312.db2.gz YJABNFQVBSEVRI-GFCCVEGCSA-N -1 1 397.432 0.964 20 0 GCADMM CCOC(=O)c1csc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000821346671 606357415 /nfs/dbraw/zinc/35/74/15/606357415.db2.gz NMZWMFABKKWIEJ-UHFFFAOYSA-N -1 1 395.426 0.720 20 0 GCADMM CCOC(=O)c1csc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821346671 606357418 /nfs/dbraw/zinc/35/74/18/606357418.db2.gz NMZWMFABKKWIEJ-UHFFFAOYSA-N -1 1 395.426 0.720 20 0 GCADMM CCO[C@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(CC)CC ZINC000821357188 606430222 /nfs/dbraw/zinc/43/02/22/606430222.db2.gz BAGSAAXCTZNZCF-NEPJUHHUSA-N -1 1 391.476 0.684 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000822005033 606435409 /nfs/dbraw/zinc/43/54/09/606435409.db2.gz NLEPWMQQYGSUJJ-QWHCGFSZSA-N -1 1 387.444 0.677 20 0 GCADMM COCCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000821687221 606497357 /nfs/dbraw/zinc/49/73/57/606497357.db2.gz ULEFEUGUHNMVGT-JTQLQIEISA-N -1 1 385.471 0.594 20 0 GCADMM COCCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000821687221 606497359 /nfs/dbraw/zinc/49/73/59/606497359.db2.gz ULEFEUGUHNMVGT-JTQLQIEISA-N -1 1 385.471 0.594 20 0 GCADMM COCCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000821687222 606497387 /nfs/dbraw/zinc/49/73/87/606497387.db2.gz ULEFEUGUHNMVGT-SNVBAGLBSA-N -1 1 385.471 0.594 20 0 GCADMM COCCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000821687222 606497389 /nfs/dbraw/zinc/49/73/89/606497389.db2.gz ULEFEUGUHNMVGT-SNVBAGLBSA-N -1 1 385.471 0.594 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823202567 606504244 /nfs/dbraw/zinc/50/42/44/606504244.db2.gz XCRIHCLWOCWMDX-UHFFFAOYSA-N -1 1 378.439 0.637 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823202567 606504245 /nfs/dbraw/zinc/50/42/45/606504245.db2.gz XCRIHCLWOCWMDX-UHFFFAOYSA-N -1 1 378.439 0.637 20 0 GCADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)N1CCCC1 ZINC000822996529 606520699 /nfs/dbraw/zinc/52/06/99/606520699.db2.gz GUJZCXKYWLADRE-UHFFFAOYSA-N -1 1 375.458 0.308 20 0 GCADMM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)N1CCCC1 ZINC000822996529 606520701 /nfs/dbraw/zinc/52/07/01/606520701.db2.gz GUJZCXKYWLADRE-UHFFFAOYSA-N -1 1 375.458 0.308 20 0 GCADMM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822850537 606521423 /nfs/dbraw/zinc/52/14/23/606521423.db2.gz JVHNDHVRWHDOGR-OAHLLOKOSA-N -1 1 397.464 0.913 20 0 GCADMM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822850537 606521424 /nfs/dbraw/zinc/52/14/24/606521424.db2.gz JVHNDHVRWHDOGR-OAHLLOKOSA-N -1 1 397.464 0.913 20 0 GCADMM COc1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1 ZINC000821719937 606544982 /nfs/dbraw/zinc/54/49/82/606544982.db2.gz KBYJDQWOWMFVKX-UHFFFAOYSA-N -1 1 383.368 0.647 20 0 GCADMM COc1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1 ZINC000821719937 606544984 /nfs/dbraw/zinc/54/49/84/606544984.db2.gz KBYJDQWOWMFVKX-UHFFFAOYSA-N -1 1 383.368 0.647 20 0 GCADMM CCOC(=O)[C@H](C)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821315698 606552973 /nfs/dbraw/zinc/55/29/73/606552973.db2.gz VLNMODWHNLSRLR-SECBINFHSA-N -1 1 376.417 0.832 20 0 GCADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822459526 606579906 /nfs/dbraw/zinc/57/99/06/606579906.db2.gz QXWHZFCFUYCHGN-UHFFFAOYSA-N -1 1 397.403 0.526 20 0 GCADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822459526 606579907 /nfs/dbraw/zinc/57/99/07/606579907.db2.gz QXWHZFCFUYCHGN-UHFFFAOYSA-N -1 1 397.403 0.526 20 0 GCADMM COC(=O)[C@]1(F)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821653802 606585310 /nfs/dbraw/zinc/58/53/10/606585310.db2.gz LOJFZBSCGMMVCR-AWEZNQCLSA-N -1 1 382.377 0.416 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000822614818 606596285 /nfs/dbraw/zinc/59/62/85/606596285.db2.gz TXIHMLXCOBYQOR-UHFFFAOYSA-N -1 1 385.388 0.620 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000822614818 606596286 /nfs/dbraw/zinc/59/62/86/606596286.db2.gz TXIHMLXCOBYQOR-UHFFFAOYSA-N -1 1 385.388 0.620 20 0 GCADMM C[C@@H](CCO)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000820249112 606611210 /nfs/dbraw/zinc/61/12/10/606611210.db2.gz RDLIZYUICSCHBR-NSHDSACASA-N -1 1 397.395 0.880 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cn(-c3ccc(Cl)cc3)nn2)c1=O ZINC000821565036 606630370 /nfs/dbraw/zinc/63/03/70/606630370.db2.gz AQEGSVTXQCZKMO-UHFFFAOYSA-N -1 1 399.802 0.492 20 0 GCADMM Cn1nc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2c1=O ZINC000822705127 606649660 /nfs/dbraw/zinc/64/96/60/606649660.db2.gz WJNZBONZRHIMQI-UHFFFAOYSA-N -1 1 377.364 0.795 20 0 GCADMM Cn1nc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc2c1=O ZINC000822705127 606649661 /nfs/dbraw/zinc/64/96/61/606649661.db2.gz WJNZBONZRHIMQI-UHFFFAOYSA-N -1 1 377.364 0.795 20 0 GCADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964578 606652151 /nfs/dbraw/zinc/65/21/51/606652151.db2.gz KIEAOCCSJXIBHZ-UHFFFAOYSA-N -1 1 385.384 0.560 20 0 GCADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964578 606652152 /nfs/dbraw/zinc/65/21/52/606652152.db2.gz KIEAOCCSJXIBHZ-UHFFFAOYSA-N -1 1 385.384 0.560 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000821588145 606652829 /nfs/dbraw/zinc/65/28/29/606652829.db2.gz DIPRPXSWQWNXNR-UHFFFAOYSA-N -1 1 378.370 0.462 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC000821588145 606652830 /nfs/dbraw/zinc/65/28/30/606652830.db2.gz DIPRPXSWQWNXNR-UHFFFAOYSA-N -1 1 378.370 0.462 20 0 GCADMM CCNS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821293218 606653161 /nfs/dbraw/zinc/65/31/61/606653161.db2.gz IJLVINAILVOLDQ-UHFFFAOYSA-N -1 1 388.409 0.917 20 0 GCADMM CCNS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821293218 606653162 /nfs/dbraw/zinc/65/31/62/606653162.db2.gz IJLVINAILVOLDQ-UHFFFAOYSA-N -1 1 388.409 0.917 20 0 GCADMM COC(=O)[C@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C[C@H]1C ZINC000821655060 606691311 /nfs/dbraw/zinc/69/13/11/606691311.db2.gz DMEVBDWOKUKQTP-RNCFNFMXSA-N -1 1 388.428 0.784 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc2ccccn21 ZINC000820028490 606738869 /nfs/dbraw/zinc/73/88/69/606738869.db2.gz ZVZLIMPNMLHGQW-AWEZNQCLSA-N -1 1 399.440 0.980 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc2ccccn21 ZINC000820028490 606738871 /nfs/dbraw/zinc/73/88/71/606738871.db2.gz ZVZLIMPNMLHGQW-AWEZNQCLSA-N -1 1 399.440 0.980 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cn(-c2ccccc2)nn1 ZINC000820445996 606738979 /nfs/dbraw/zinc/73/89/79/606738979.db2.gz SQUPHWXYZUFTAO-LLVKDONJSA-N -1 1 397.424 0.882 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cn(-c2ccccc2)nn1 ZINC000820445996 606738981 /nfs/dbraw/zinc/73/89/81/606738981.db2.gz SQUPHWXYZUFTAO-LLVKDONJSA-N -1 1 397.424 0.882 20 0 GCADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)C[C@@H]21 ZINC000821628972 606739511 /nfs/dbraw/zinc/73/95/11/606739511.db2.gz VQPFKOKHHZATSN-WDEREUQCSA-N -1 1 384.849 0.224 20 0 GCADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)C[C@@H]21 ZINC000821628972 606739513 /nfs/dbraw/zinc/73/95/13/606739513.db2.gz VQPFKOKHHZATSN-WDEREUQCSA-N -1 1 384.849 0.224 20 0 GCADMM O=S(=O)(NCc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578329 606741886 /nfs/dbraw/zinc/74/18/86/606741886.db2.gz MGGVIDGAMNGYOB-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(NCc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578329 606741887 /nfs/dbraw/zinc/74/18/87/606741887.db2.gz MGGVIDGAMNGYOB-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000822005835 606752075 /nfs/dbraw/zinc/75/20/75/606752075.db2.gz UHPVPFAEPZAXGK-KBPBESRZSA-N -1 1 387.444 0.058 20 0 GCADMM C[C@H](Cn1ccnc1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820307872 606762865 /nfs/dbraw/zinc/76/28/65/606762865.db2.gz QHNVEZTWTMKZGY-OLZOCXBDSA-N -1 1 397.447 0.162 20 0 GCADMM C[C@H](Cn1ccnc1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820307872 606762867 /nfs/dbraw/zinc/76/28/67/606762867.db2.gz QHNVEZTWTMKZGY-OLZOCXBDSA-N -1 1 397.447 0.162 20 0 GCADMM CSCCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821962928 606765520 /nfs/dbraw/zinc/76/55/20/606765520.db2.gz YVBDYCJPPDMBBK-LLVKDONJSA-N -1 1 393.546 0.795 20 0 GCADMM CSCCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821962928 606765522 /nfs/dbraw/zinc/76/55/22/606765522.db2.gz YVBDYCJPPDMBBK-LLVKDONJSA-N -1 1 393.546 0.795 20 0 GCADMM CC(=O)c1c[nH]c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000819834065 606767179 /nfs/dbraw/zinc/76/71/79/606767179.db2.gz LJKIGZSFLMXPRD-SNVBAGLBSA-N -1 1 381.400 0.538 20 0 GCADMM CC(=O)c1c[nH]c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000819834065 606767181 /nfs/dbraw/zinc/76/71/81/606767181.db2.gz LJKIGZSFLMXPRD-SNVBAGLBSA-N -1 1 381.400 0.538 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1CCSC1=S ZINC000820803703 606768982 /nfs/dbraw/zinc/76/89/82/606768982.db2.gz FVDQRNPFXFYXQD-SNVBAGLBSA-N -1 1 377.503 0.458 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1CCSC1=S ZINC000820803703 606768984 /nfs/dbraw/zinc/76/89/84/606768984.db2.gz FVDQRNPFXFYXQD-SNVBAGLBSA-N -1 1 377.503 0.458 20 0 GCADMM CC(C)[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820038075 606769251 /nfs/dbraw/zinc/76/92/51/606769251.db2.gz KFFGMQFLJQIQSZ-KBPBESRZSA-N -1 1 385.476 0.629 20 0 GCADMM CC(C)[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820038075 606769252 /nfs/dbraw/zinc/76/92/52/606769252.db2.gz KFFGMQFLJQIQSZ-KBPBESRZSA-N -1 1 385.476 0.629 20 0 GCADMM COc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Cl)n1 ZINC000821832008 606774297 /nfs/dbraw/zinc/77/42/97/606774297.db2.gz VXJGDIGLLAQWOX-UHFFFAOYSA-N -1 1 392.811 0.983 20 0 GCADMM COc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)n1 ZINC000821832008 606774298 /nfs/dbraw/zinc/77/42/98/606774298.db2.gz VXJGDIGLLAQWOX-UHFFFAOYSA-N -1 1 392.811 0.983 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCS(=O)(=O)C(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000822540376 606776827 /nfs/dbraw/zinc/77/68/27/606776827.db2.gz AALAVYADWLBMIF-JTQLQIEISA-N -1 1 396.473 0.913 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCCCCC1 ZINC000820788216 606777721 /nfs/dbraw/zinc/77/77/21/606777721.db2.gz AVYLXTBYSWGRAV-CQSZACIVSA-N -1 1 385.476 0.570 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCCCCC1 ZINC000820788216 606777723 /nfs/dbraw/zinc/77/77/23/606777723.db2.gz AVYLXTBYSWGRAV-CQSZACIVSA-N -1 1 385.476 0.570 20 0 GCADMM CC(C)Cc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000820108495 606779230 /nfs/dbraw/zinc/77/92/30/606779230.db2.gz KQNMIUNZLSNTHZ-LBPRGKRZSA-N -1 1 384.448 0.949 20 0 GCADMM CC(C)Cc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000820108495 606779232 /nfs/dbraw/zinc/77/92/32/606779232.db2.gz KQNMIUNZLSNTHZ-LBPRGKRZSA-N -1 1 384.448 0.949 20 0 GCADMM COC(=O)c1coc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821671022 606781648 /nfs/dbraw/zinc/78/16/48/606781648.db2.gz DEKCBYMBGBNSDQ-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM COC(=O)c1coc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821671022 606781650 /nfs/dbraw/zinc/78/16/50/606781650.db2.gz DEKCBYMBGBNSDQ-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM CC1CCC(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000820690762 606782010 /nfs/dbraw/zinc/78/20/10/606782010.db2.gz RLSDIIQDJBLFPH-SHARSMKWSA-N -1 1 399.503 0.862 20 0 GCADMM CC1CCC(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000820690762 606782011 /nfs/dbraw/zinc/78/20/11/606782011.db2.gz RLSDIIQDJBLFPH-SHARSMKWSA-N -1 1 399.503 0.862 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCCC(C)(C)C ZINC000820788489 606782125 /nfs/dbraw/zinc/78/21/25/606782125.db2.gz IFMRXDZNMJRYOM-CYBMUJFWSA-N -1 1 387.492 0.720 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCCC(C)(C)C ZINC000820788489 606782128 /nfs/dbraw/zinc/78/21/28/606782128.db2.gz IFMRXDZNMJRYOM-CYBMUJFWSA-N -1 1 387.492 0.720 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccccc1 ZINC000820789113 606782236 /nfs/dbraw/zinc/78/22/36/606782236.db2.gz VVKRNHAFNXUWJZ-CYBMUJFWSA-N -1 1 379.428 0.806 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccccc1 ZINC000820789113 606782237 /nfs/dbraw/zinc/78/22/37/606782237.db2.gz VVKRNHAFNXUWJZ-CYBMUJFWSA-N -1 1 379.428 0.806 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc(C2CC2)n1C ZINC000820804535 606783643 /nfs/dbraw/zinc/78/36/43/606783643.db2.gz UKMQPKMWOXFHKN-NSHDSACASA-N -1 1 381.448 0.373 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc(C2CC2)n1C ZINC000820804535 606783644 /nfs/dbraw/zinc/78/36/44/606783644.db2.gz UKMQPKMWOXFHKN-NSHDSACASA-N -1 1 381.448 0.373 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc2n1CCCC2 ZINC000820804509 606785709 /nfs/dbraw/zinc/78/57/09/606785709.db2.gz TZUOFIPQKUMKKJ-LBPRGKRZSA-N -1 1 381.448 0.295 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc2n1CCCC2 ZINC000820804509 606785711 /nfs/dbraw/zinc/78/57/11/606785711.db2.gz TZUOFIPQKUMKKJ-LBPRGKRZSA-N -1 1 381.448 0.295 20 0 GCADMM COCCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821686818 606788154 /nfs/dbraw/zinc/78/81/54/606788154.db2.gz AYDZKXUENKNPPO-GFCCVEGCSA-N -1 1 375.437 0.303 20 0 GCADMM COCCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821686818 606788156 /nfs/dbraw/zinc/78/81/56/606788156.db2.gz AYDZKXUENKNPPO-GFCCVEGCSA-N -1 1 375.437 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1CCCOC1 ZINC000820788908 606788474 /nfs/dbraw/zinc/78/84/74/606788474.db2.gz RBYQYPNEGBYTJO-OLZOCXBDSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1CCCOC1 ZINC000820788908 606788476 /nfs/dbraw/zinc/78/84/76/606788476.db2.gz RBYQYPNEGBYTJO-OLZOCXBDSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1CCCOC1 ZINC000820788907 606788749 /nfs/dbraw/zinc/78/87/49/606788749.db2.gz RBYQYPNEGBYTJO-CHWSQXEVSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1CCCOC1 ZINC000820788907 606788750 /nfs/dbraw/zinc/78/87/50/606788750.db2.gz RBYQYPNEGBYTJO-CHWSQXEVSA-N -1 1 387.448 0.303 20 0 GCADMM Cc1occc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822554363 606790031 /nfs/dbraw/zinc/79/00/31/606790031.db2.gz YSUORYVWQRJRHZ-LLVKDONJSA-N -1 1 383.416 0.978 20 0 GCADMM Cc1occc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822554363 606790033 /nfs/dbraw/zinc/79/00/33/606790033.db2.gz YSUORYVWQRJRHZ-LLVKDONJSA-N -1 1 383.416 0.978 20 0 GCADMM COCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821686031 606790871 /nfs/dbraw/zinc/79/08/71/606790871.db2.gz YKKFWZZMACYIDF-NWDGAFQWSA-N -1 1 375.437 0.302 20 0 GCADMM COCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821686031 606790872 /nfs/dbraw/zinc/79/08/72/606790872.db2.gz YKKFWZZMACYIDF-NWDGAFQWSA-N -1 1 375.437 0.302 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC000820350738 606793307 /nfs/dbraw/zinc/79/33/07/606793307.db2.gz LLADQMRQCZILLF-VXGBXAGGSA-N -1 1 397.447 0.372 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC000820350738 606793309 /nfs/dbraw/zinc/79/33/09/606793309.db2.gz LLADQMRQCZILLF-VXGBXAGGSA-N -1 1 397.447 0.372 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1CCCCO1 ZINC000820788667 606794028 /nfs/dbraw/zinc/79/40/28/606794028.db2.gz LYBXDEHHFXSZCF-CHWSQXEVSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1CCCCO1 ZINC000820788667 606794029 /nfs/dbraw/zinc/79/40/29/606794029.db2.gz LYBXDEHHFXSZCF-CHWSQXEVSA-N -1 1 387.448 0.446 20 0 GCADMM O=C(C1CCCC1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822917714 606795457 /nfs/dbraw/zinc/79/54/57/606795457.db2.gz VTMLFIRUEGFLED-GFCCVEGCSA-N -1 1 391.457 0.331 20 0 GCADMM O=C(C1CCCC1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822917714 606795459 /nfs/dbraw/zinc/79/54/59/606795459.db2.gz VTMLFIRUEGFLED-GFCCVEGCSA-N -1 1 391.457 0.331 20 0 GCADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821931755 606807599 /nfs/dbraw/zinc/80/75/99/606807599.db2.gz HEIBXBOLGNIBKG-CMPLNLGQSA-N -1 1 388.457 0.940 20 0 GCADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821931755 606807601 /nfs/dbraw/zinc/80/76/01/606807601.db2.gz HEIBXBOLGNIBKG-CMPLNLGQSA-N -1 1 388.457 0.940 20 0 GCADMM Cc1nc2[nH]ccc2c(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822449630 606807960 /nfs/dbraw/zinc/80/79/60/606807960.db2.gz HTWBJVVQQGDURT-SNVBAGLBSA-N -1 1 377.416 0.952 20 0 GCADMM Cc1nc2[nH]ccc2c(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822449630 606807961 /nfs/dbraw/zinc/80/79/61/606807961.db2.gz HTWBJVVQQGDURT-SNVBAGLBSA-N -1 1 377.416 0.952 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CSC(F)(F)F ZINC000820778499 606818184 /nfs/dbraw/zinc/81/81/84/606818184.db2.gz XSUMKRYPEHNCED-MRVPVSSYSA-N -1 1 388.379 0.947 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CSC(F)(F)F ZINC000820778499 606818186 /nfs/dbraw/zinc/81/81/86/606818186.db2.gz XSUMKRYPEHNCED-MRVPVSSYSA-N -1 1 388.379 0.947 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn2ccccc12 ZINC000820788519 606818563 /nfs/dbraw/zinc/81/85/63/606818563.db2.gz JEIYHCCYPNPBFX-GFCCVEGCSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn2ccccc12 ZINC000820788519 606818565 /nfs/dbraw/zinc/81/85/65/606818565.db2.gz JEIYHCCYPNPBFX-GFCCVEGCSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000820775374 606821452 /nfs/dbraw/zinc/82/14/52/606821452.db2.gz HTFBMYRTLGQRIX-SWLSCSKDSA-N -1 1 392.423 0.698 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000820775374 606821453 /nfs/dbraw/zinc/82/14/53/606821453.db2.gz HTFBMYRTLGQRIX-SWLSCSKDSA-N -1 1 392.423 0.698 20 0 GCADMM COc1ccnc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821904179 606822588 /nfs/dbraw/zinc/82/25/88/606822588.db2.gz SJNJWIVTNFYZMK-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM COc1ccnc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821904179 606822590 /nfs/dbraw/zinc/82/25/90/606822590.db2.gz SJNJWIVTNFYZMK-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn2cccnc2n1 ZINC000820788359 606823689 /nfs/dbraw/zinc/82/36/89/606823689.db2.gz FBQJEKAKALPFCH-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn2cccnc2n1 ZINC000820788359 606823691 /nfs/dbraw/zinc/82/36/91/606823691.db2.gz FBQJEKAKALPFCH-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1ccnc1 ZINC000820774483 606824519 /nfs/dbraw/zinc/82/45/19/606824519.db2.gz DQJJZDOXBSATDW-ZDUSSCGKSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1ccnc1 ZINC000820774483 606824521 /nfs/dbraw/zinc/82/45/21/606824521.db2.gz DQJJZDOXBSATDW-ZDUSSCGKSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cncc(F)c1 ZINC000820774277 606829393 /nfs/dbraw/zinc/82/93/93/606829393.db2.gz AERPDRLQVJUEHB-DLGQBQFBSA-N -1 1 395.402 0.941 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cncc(F)c1 ZINC000820774277 606829394 /nfs/dbraw/zinc/82/93/94/606829394.db2.gz AERPDRLQVJUEHB-DLGQBQFBSA-N -1 1 395.402 0.941 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1nnc(-c2ccco2)o1 ZINC000823027591 606830411 /nfs/dbraw/zinc/83/04/11/606830411.db2.gz XWTDPPQZADTUKF-UHFFFAOYSA-N -1 1 382.296 0.700 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1nnc(-c2ccco2)o1 ZINC000823027591 606830413 /nfs/dbraw/zinc/83/04/13/606830413.db2.gz XWTDPPQZADTUKF-UHFFFAOYSA-N -1 1 382.296 0.700 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2nncn2c1 ZINC000820788497 606831308 /nfs/dbraw/zinc/83/13/08/606831308.db2.gz ILTZLQLFJZEILE-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2nncn2c1 ZINC000820788497 606831309 /nfs/dbraw/zinc/83/13/09/606831309.db2.gz ILTZLQLFJZEILE-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC000820789161 606831447 /nfs/dbraw/zinc/83/14/47/606831447.db2.gz WUEWUSMUBYUBLT-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC000820789161 606831449 /nfs/dbraw/zinc/83/14/49/606831449.db2.gz WUEWUSMUBYUBLT-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM COc1ncccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821920083 606832189 /nfs/dbraw/zinc/83/21/89/606832189.db2.gz MHKCQFIRGLIZBS-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM COc1ncccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821920083 606832191 /nfs/dbraw/zinc/83/21/91/606832191.db2.gz MHKCQFIRGLIZBS-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821576034 606840450 /nfs/dbraw/zinc/84/04/50/606840450.db2.gz ZEYBZBMNGSHHPY-UHFFFAOYSA-N -1 1 382.421 0.495 20 0 GCADMM CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819940227 606841664 /nfs/dbraw/zinc/84/16/64/606841664.db2.gz SWHVUYNBYMIZSS-UHFFFAOYSA-N -1 1 386.409 0.809 20 0 GCADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819883298 606843118 /nfs/dbraw/zinc/84/31/18/606843118.db2.gz GULSUOARPGPLJJ-BDAKNGLRSA-N -1 1 391.450 0.448 20 0 GCADMM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821440806 606844189 /nfs/dbraw/zinc/84/41/89/606844189.db2.gz CHTYWPMEXXBAFN-VIFPVBQESA-N -1 1 391.450 0.450 20 0 GCADMM CCC(CC)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820893153 606847969 /nfs/dbraw/zinc/84/79/69/606847969.db2.gz LANIYZYFEPPGDH-GFCCVEGCSA-N -1 1 394.505 0.933 20 0 GCADMM CCC(CC)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820893153 606847970 /nfs/dbraw/zinc/84/79/70/606847970.db2.gz LANIYZYFEPPGDH-GFCCVEGCSA-N -1 1 394.505 0.933 20 0 GCADMM CC[C@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820870014 606848023 /nfs/dbraw/zinc/84/80/23/606848023.db2.gz LAEPYYNZSLDFDA-RYUDHWBXSA-N -1 1 380.478 0.543 20 0 GCADMM CC[C@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820870014 606848024 /nfs/dbraw/zinc/84/80/24/606848024.db2.gz LAEPYYNZSLDFDA-RYUDHWBXSA-N -1 1 380.478 0.543 20 0 GCADMM CC1=C(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C(=O)OC1(C)C ZINC000820633884 606855096 /nfs/dbraw/zinc/85/50/96/606855096.db2.gz FEGMQWKKNQJFTE-JTQLQIEISA-N -1 1 398.427 0.346 20 0 GCADMM CC1=C(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C(=O)OC1(C)C ZINC000820633884 606855098 /nfs/dbraw/zinc/85/50/98/606855098.db2.gz FEGMQWKKNQJFTE-JTQLQIEISA-N -1 1 398.427 0.346 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(O)c1 ZINC000821769438 606855486 /nfs/dbraw/zinc/85/54/86/606855486.db2.gz HNLNHQSOIGDUHS-LLVKDONJSA-N -1 1 396.411 0.722 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(O)c1 ZINC000821769438 606855487 /nfs/dbraw/zinc/85/54/87/606855487.db2.gz HNLNHQSOIGDUHS-LLVKDONJSA-N -1 1 396.411 0.722 20 0 GCADMM O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000486769034 606869910 /nfs/dbraw/zinc/86/99/10/606869910.db2.gz FFGWADACUASZLZ-UHFFFAOYSA-N -1 1 391.434 0.997 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000820776669 606901742 /nfs/dbraw/zinc/90/17/42/606901742.db2.gz MFMQWQQRMWXJBP-VXGBXAGGSA-N -1 1 394.443 0.537 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000820776669 606901743 /nfs/dbraw/zinc/90/17/43/606901743.db2.gz MFMQWQQRMWXJBP-VXGBXAGGSA-N -1 1 394.443 0.537 20 0 GCADMM COCCc1noc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000821694223 606944537 /nfs/dbraw/zinc/94/45/37/606944537.db2.gz CXNAWJUMDHSXPE-UHFFFAOYSA-N -1 1 397.392 0.398 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000822610010 606955856 /nfs/dbraw/zinc/95/58/56/606955856.db2.gz YXPNKANNXQDPFD-JQWIXIFHSA-N -1 1 388.388 0.550 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000822610010 606955858 /nfs/dbraw/zinc/95/58/58/606955858.db2.gz YXPNKANNXQDPFD-JQWIXIFHSA-N -1 1 388.388 0.550 20 0 GCADMM O=S(=O)(NN=c1nc[nH]c2ccsc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823582955 607004371 /nfs/dbraw/zinc/00/43/71/607004371.db2.gz DUXQBAOGMZQLMR-UHFFFAOYSA-N -1 1 375.399 0.572 20 0 GCADMM O=S(=O)(NN=c1nc[nH]c2ccsc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823582955 607004373 /nfs/dbraw/zinc/00/43/73/607004373.db2.gz DUXQBAOGMZQLMR-UHFFFAOYSA-N -1 1 375.399 0.572 20 0 GCADMM CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819922753 607004732 /nfs/dbraw/zinc/00/47/32/607004732.db2.gz OIMWUBBNWWYRHO-GFCCVEGCSA-N -1 1 380.430 0.757 20 0 GCADMM CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819922753 607004735 /nfs/dbraw/zinc/00/47/35/607004735.db2.gz OIMWUBBNWWYRHO-GFCCVEGCSA-N -1 1 380.430 0.757 20 0 GCADMM CN(c1snc(Cl)c1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821618959 607047531 /nfs/dbraw/zinc/04/75/31/607047531.db2.gz CQGLHYLYUMOBAV-UHFFFAOYSA-N -1 1 377.883 0.837 20 0 GCADMM CN(c1snc(Cl)c1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821618959 607047532 /nfs/dbraw/zinc/04/75/32/607047532.db2.gz CQGLHYLYUMOBAV-UHFFFAOYSA-N -1 1 377.883 0.837 20 0 GCADMM CCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821292557 607103925 /nfs/dbraw/zinc/10/39/25/607103925.db2.gz CJJKJAWBENHPGX-UHFFFAOYSA-N -1 1 379.427 0.874 20 0 GCADMM CCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821292557 607103926 /nfs/dbraw/zinc/10/39/26/607103926.db2.gz CJJKJAWBENHPGX-UHFFFAOYSA-N -1 1 379.427 0.874 20 0 GCADMM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc(-c3nnn[n-]3)s1)C2=O ZINC000820691487 607105990 /nfs/dbraw/zinc/10/59/90/607105990.db2.gz XQVHUGYVKNBACW-UHFFFAOYSA-N -1 1 390.429 0.762 20 0 GCADMM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc(-c3nn[n-]n3)s1)C2=O ZINC000820691487 607105993 /nfs/dbraw/zinc/10/59/93/607105993.db2.gz XQVHUGYVKNBACW-UHFFFAOYSA-N -1 1 390.429 0.762 20 0 GCADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)CN1C(=O)c2ccccc2C1=O ZINC000823027352 607111825 /nfs/dbraw/zinc/11/18/25/607111825.db2.gz RWJLNNLBQVSFAL-UHFFFAOYSA-N -1 1 397.372 0.950 20 0 GCADMM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H](c2ccsc2)O1 ZINC000820766697 607115937 /nfs/dbraw/zinc/11/59/37/607115937.db2.gz CJACVXIRHKLLPA-MWLCHTKSSA-N -1 1 389.441 0.292 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000822535644 607138472 /nfs/dbraw/zinc/13/84/72/607138472.db2.gz ZGCMUQWOXNUWNY-MNOVXSKESA-N -1 1 385.384 0.322 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000822535644 607138475 /nfs/dbraw/zinc/13/84/75/607138475.db2.gz ZGCMUQWOXNUWNY-MNOVXSKESA-N -1 1 385.384 0.322 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H]1COC(C)(C)O1 ZINC000822005118 607144279 /nfs/dbraw/zinc/14/42/79/607144279.db2.gz OOPIOOOQBGFBCU-NSHDSACASA-N -1 1 376.417 0.784 20 0 GCADMM COc1cc(-c2noc(Cn3cnc(-c4nn[n-]n4)n3)n2)cc(OC)c1OC ZINC000821703200 607145886 /nfs/dbraw/zinc/14/58/86/607145886.db2.gz UFBDWNNHXNIFCS-UHFFFAOYSA-N -1 1 385.344 0.582 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000823601299 607146212 /nfs/dbraw/zinc/14/62/12/607146212.db2.gz ZLLHGLRIAQPETK-QWHCGFSZSA-N -1 1 385.446 0.901 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(-c3scnc3C)n2)c1=O ZINC000821565169 607157242 /nfs/dbraw/zinc/15/72/42/607157242.db2.gz GZDMSWNKQCDKQR-UHFFFAOYSA-N -1 1 387.385 0.073 20 0 GCADMM CS[C@H](CO)[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821948610 607187168 /nfs/dbraw/zinc/18/71/68/607187168.db2.gz CXFTWWGCMMYJOZ-ZYHUDNBSSA-N -1 1 380.474 0.745 20 0 GCADMM CSC[C@@H](CCO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821955753 607187279 /nfs/dbraw/zinc/18/72/79/607187279.db2.gz ATJYVJWBWPWTHT-LLVKDONJSA-N -1 1 380.474 0.747 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCSC[C@@H]1CCO ZINC000822005950 607192847 /nfs/dbraw/zinc/19/28/47/607192847.db2.gz VWMGYWWLEXIUOW-LBPRGKRZSA-N -1 1 392.485 0.843 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000823131488 607206800 /nfs/dbraw/zinc/20/68/00/607206800.db2.gz HZLOWZNZCMEIQD-UHFFFAOYSA-N -1 1 387.367 0.831 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000823136093 607207605 /nfs/dbraw/zinc/20/76/05/607207605.db2.gz JRQXPRDYQPMXMY-LBPRGKRZSA-N -1 1 383.372 0.214 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc(OCc2ccccn2)c1 ZINC000823131783 607208369 /nfs/dbraw/zinc/20/83/69/607208369.db2.gz OMUWGDIKXVATFS-UHFFFAOYSA-N -1 1 391.395 0.749 20 0 GCADMM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)n1 ZINC000822323708 607208844 /nfs/dbraw/zinc/20/88/44/607208844.db2.gz NOYZPZCAJKJZNZ-LBPRGKRZSA-N -1 1 396.415 0.039 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cc(F)cc(Br)c1 ZINC000823131556 607209928 /nfs/dbraw/zinc/20/99/28/607209928.db2.gz JPSDQMLTIMVDQV-UHFFFAOYSA-N -1 1 381.169 0.676 20 0 GCADMM C[C@@H](Cc1cccc(Br)c1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820301694 607210914 /nfs/dbraw/zinc/21/09/14/607210914.db2.gz ZLQSIAGYNVJXND-VIFPVBQESA-N -1 1 391.233 0.968 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(OCCc2ccccc2)CC1 ZINC000823122805 607211211 /nfs/dbraw/zinc/21/12/11/607211211.db2.gz IMWPBIUAFLZAMX-UHFFFAOYSA-N -1 1 382.428 0.709 20 0 GCADMM COc1cccc(CN(C[C@H]2CCCO2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821868811 607211313 /nfs/dbraw/zinc/21/13/13/607211313.db2.gz VPKGAJUZWBNQFU-OAHLLOKOSA-N -1 1 398.427 0.675 20 0 GCADMM CC(C)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc2c(c1)OCCO2 ZINC000819981066 607211660 /nfs/dbraw/zinc/21/16/60/607211660.db2.gz MAQKBDZCQQDMCW-UHFFFAOYSA-N -1 1 384.400 0.323 20 0 GCADMM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821662507 607211942 /nfs/dbraw/zinc/21/19/42/607211942.db2.gz FXZGVGHPAFRHJU-UHFFFAOYSA-N -1 1 390.791 0.313 20 0 GCADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821015159 607212007 /nfs/dbraw/zinc/21/20/07/607212007.db2.gz OMZZMJNSSMBUHH-VXGBXAGGSA-N -1 1 375.437 0.002 20 0 GCADMM CCOC(=O)Cn1ccc2cc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc21 ZINC000821334798 607212034 /nfs/dbraw/zinc/21/20/34/607212034.db2.gz PWYDVCKFKSPBPI-UHFFFAOYSA-N -1 1 395.383 0.615 20 0 GCADMM COc1cccc(N2CC[C@H](CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)c1 ZINC000821871789 607212739 /nfs/dbraw/zinc/21/27/39/607212739.db2.gz DQYKHEHFZAWLGM-GFCCVEGCSA-N -1 1 383.416 0.110 20 0 GCADMM COc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C(F)(F)F)c1 ZINC000821798916 607212806 /nfs/dbraw/zinc/21/28/06/607212806.db2.gz SWKUFHZEKFDXLG-UHFFFAOYSA-N -1 1 382.306 0.802 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000823127120 607212989 /nfs/dbraw/zinc/21/29/89/607212989.db2.gz UDASLAWACFQAPO-MNOVXSKESA-N -1 1 389.217 0.893 20 0 GCADMM CCc1noc(-c2ccc(CCNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000821554531 607213640 /nfs/dbraw/zinc/21/36/40/607213640.db2.gz OBUZLLBDPZJYFV-UHFFFAOYSA-N -1 1 394.399 0.430 20 0 GCADMM CC(C)(C)c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n(-c2ccccn2)n1 ZINC000819958839 607214015 /nfs/dbraw/zinc/21/40/15/607214015.db2.gz RHZKRCFTVICUAK-UHFFFAOYSA-N -1 1 393.415 0.975 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N=c1sccn1Cc1ccccc1F ZINC000823126603 607214345 /nfs/dbraw/zinc/21/43/45/607214345.db2.gz JZTDCQSOPXVPJH-UHFFFAOYSA-N -1 1 385.388 0.636 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820734155 607218869 /nfs/dbraw/zinc/21/88/69/607218869.db2.gz LKJKQVKZDSNNLA-MNOVXSKESA-N -1 1 391.436 0.220 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000823127036 607219224 /nfs/dbraw/zinc/21/92/24/607219224.db2.gz RAXASGBNDCOBMM-NSHDSACASA-N -1 1 387.835 0.897 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819939655 607219363 /nfs/dbraw/zinc/21/93/63/607219363.db2.gz HRCUJFUVAYGKNN-MNOVXSKESA-N -1 1 391.436 0.268 20 0 GCADMM Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)nn1 ZINC000822266707 607219650 /nfs/dbraw/zinc/21/96/50/607219650.db2.gz FKQUUNCJHAGPQC-UHFFFAOYSA-N -1 1 378.356 0.988 20 0 GCADMM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819928629 607220624 /nfs/dbraw/zinc/22/06/24/607220624.db2.gz SMLRZCLELRGEER-UHFFFAOYSA-N -1 1 384.400 0.981 20 0 GCADMM CC[C@H]1Oc2cc([C@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc2NC1=O ZINC000821000592 607220965 /nfs/dbraw/zinc/22/09/65/607220965.db2.gz GYRAWQMFTGUYGQ-JOYOIKCWSA-N -1 1 397.399 0.445 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(Cc2ccccc2)no1 ZINC000820333974 607221125 /nfs/dbraw/zinc/22/11/25/607221125.db2.gz HYSYRHCQPIRVEA-JTQLQIEISA-N -1 1 380.372 0.309 20 0 GCADMM O=C(C[C@H]1COCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccs1 ZINC000822946072 607222223 /nfs/dbraw/zinc/22/22/23/607222223.db2.gz UOXVKYJNPFBZPJ-JTQLQIEISA-N -1 1 388.413 0.020 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNc1ccc(-c2ccccc2)nn1 ZINC000823131298 607222667 /nfs/dbraw/zinc/22/26/67/607222667.db2.gz FOKZVIDVXIXQBY-UHFFFAOYSA-N -1 1 391.399 0.144 20 0 GCADMM CCOC(=O)c1sc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc1C ZINC000821346952 607222959 /nfs/dbraw/zinc/22/29/59/607222959.db2.gz RYQGLQYXJSISIR-MRVPVSSYSA-N -1 1 391.417 0.277 20 0 GCADMM COC(=O)CCCc1csc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000821661677 607223119 /nfs/dbraw/zinc/22/31/19/607223119.db2.gz UDKXDDUSAGRBBS-UHFFFAOYSA-N -1 1 377.390 0.049 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1ncc(Cl)cc1Cl ZINC000823132063 607224532 /nfs/dbraw/zinc/22/45/32/607224532.db2.gz XQXMYWWKQYJIQO-UHFFFAOYSA-N -1 1 384.187 0.355 20 0 GCADMM NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822880225 607236790 /nfs/dbraw/zinc/23/67/90/607236790.db2.gz LIVWGAJYIRSGCG-UHFFFAOYSA-N -1 1 396.415 0.186 20 0 GCADMM NC(=O)COc1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826391404 607818797 /nfs/dbraw/zinc/81/87/97/607818797.db2.gz JQKAFNAIBJUBHR-UHFFFAOYSA-N -1 1 375.366 0.499 20 0 GCADMM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000823972457 607851537 /nfs/dbraw/zinc/85/15/37/607851537.db2.gz BPLUPPNRKHSWTQ-LLVKDONJSA-N -1 1 382.421 0.495 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)[C@H]2C1 ZINC000826145915 607853055 /nfs/dbraw/zinc/85/30/55/607853055.db2.gz NQLYYHQGAAWWMK-KGYLQXTDSA-N -1 1 397.432 0.963 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)[C@H]2C1 ZINC000826145915 607853056 /nfs/dbraw/zinc/85/30/56/607853056.db2.gz NQLYYHQGAAWWMK-KGYLQXTDSA-N -1 1 397.432 0.963 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)[C@H]2C1 ZINC000826146255 607853118 /nfs/dbraw/zinc/85/31/18/607853118.db2.gz SMDBGAKGKFYHML-ONERCXAPSA-N -1 1 397.432 0.963 20 0 GCADMM O=S(=O)(NC[C@]1(O)CCOC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490198 607853890 /nfs/dbraw/zinc/85/38/90/607853890.db2.gz MPHJHLYUIZJBSA-GFCCVEGCSA-N -1 1 393.347 0.315 20 0 GCADMM CCOC(=O)c1cnn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000825570713 607866694 /nfs/dbraw/zinc/86/66/94/607866694.db2.gz NOMHSFYOONPQTQ-GFCCVEGCSA-N -1 1 398.431 0.198 20 0 GCADMM CCOC(=O)c1cnn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000825570713 607866695 /nfs/dbraw/zinc/86/66/95/607866695.db2.gz NOMHSFYOONPQTQ-GFCCVEGCSA-N -1 1 398.431 0.198 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)co1 ZINC000826090739 607906226 /nfs/dbraw/zinc/90/62/26/607906226.db2.gz NHZHRCBGLLJTRR-SECBINFHSA-N -1 1 376.398 0.859 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825213165 607907172 /nfs/dbraw/zinc/90/71/72/607907172.db2.gz VZVAMJOQEMDCSV-SMDDNHRTSA-N -1 1 396.448 0.931 20 0 GCADMM CC(=O)N1CC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c2ccccc21 ZINC000823974223 607937262 /nfs/dbraw/zinc/93/72/62/607937262.db2.gz ONDQRFXBXUZAFQ-LBPRGKRZSA-N -1 1 396.411 0.174 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826494629 607939312 /nfs/dbraw/zinc/93/93/12/607939312.db2.gz KAZAAINKUITDTC-SWLSCSKDSA-N -1 1 390.400 0.897 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826494629 607939313 /nfs/dbraw/zinc/93/93/13/607939313.db2.gz KAZAAINKUITDTC-SWLSCSKDSA-N -1 1 390.400 0.897 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](CO)CC(C)C ZINC000826328014 607963516 /nfs/dbraw/zinc/96/35/16/607963516.db2.gz CKINDSINBLQXPR-ZDUSSCGKSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](CO)CC(C)C ZINC000826328014 607963517 /nfs/dbraw/zinc/96/35/17/607963517.db2.gz CKINDSINBLQXPR-ZDUSSCGKSA-N -1 1 386.460 0.982 20 0 GCADMM CCc1ccccc1NC(=O)CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825721753 607987886 /nfs/dbraw/zinc/98/78/86/607987886.db2.gz AKBJNLCHDCJILW-UHFFFAOYSA-N -1 1 393.455 0.980 20 0 GCADMM CCc1ccccc1NC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825721753 607987887 /nfs/dbraw/zinc/98/78/87/607987887.db2.gz AKBJNLCHDCJILW-UHFFFAOYSA-N -1 1 393.455 0.980 20 0 GCADMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1-c1ccc(=O)[nH]n1 ZINC000826234661 607997921 /nfs/dbraw/zinc/99/79/21/607997921.db2.gz HYHBMDYCNDWRKU-UHFFFAOYSA-N -1 1 379.340 0.814 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826450890 607998228 /nfs/dbraw/zinc/99/82/28/607998228.db2.gz HWGQSOKFINEXCF-AWEZNQCLSA-N -1 1 387.381 0.241 20 0 GCADMM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000824305163 607999080 /nfs/dbraw/zinc/99/90/80/607999080.db2.gz MLLVOPMZRNNCSJ-UHFFFAOYSA-N -1 1 391.413 0.839 20 0 GCADMM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826227935 608000958 /nfs/dbraw/zinc/00/09/58/608000958.db2.gz ZSNVKQMJSSXVOZ-APPZFPTMSA-N -1 1 377.879 0.911 20 0 GCADMM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826227935 608000959 /nfs/dbraw/zinc/00/09/59/608000959.db2.gz ZSNVKQMJSSXVOZ-APPZFPTMSA-N -1 1 377.879 0.911 20 0 GCADMM CCOC(=O)c1nc(CN(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000825570539 608034147 /nfs/dbraw/zinc/03/41/47/608034147.db2.gz KZWQQPOLJLPULC-UHFFFAOYSA-N -1 1 391.461 0.870 20 0 GCADMM O=S1(=O)CC[C@@H](N(Cc2ccnc(-c3nnn[n-]3)c2)C[C@H]2CCCO2)C1 ZINC000826497100 608037732 /nfs/dbraw/zinc/03/77/32/608037732.db2.gz UNDPOMXMYYPVPH-ZIAGYGMSSA-N -1 1 378.458 0.430 20 0 GCADMM O=S1(=O)CC[C@@H](N(Cc2ccnc(-c3nn[n-]n3)c2)C[C@H]2CCCO2)C1 ZINC000826497100 608037733 /nfs/dbraw/zinc/03/77/33/608037733.db2.gz UNDPOMXMYYPVPH-ZIAGYGMSSA-N -1 1 378.458 0.430 20 0 GCADMM O=S1(=O)CC[C@H](N(Cc2ccnc(-c3nnn[n-]3)c2)C[C@@H]2CCCO2)C1 ZINC000826497097 608037776 /nfs/dbraw/zinc/03/77/76/608037776.db2.gz UNDPOMXMYYPVPH-KBPBESRZSA-N -1 1 378.458 0.430 20 0 GCADMM O=S1(=O)CC[C@H](N(Cc2ccnc(-c3nn[n-]n3)c2)C[C@@H]2CCCO2)C1 ZINC000826497097 608037777 /nfs/dbraw/zinc/03/77/77/608037777.db2.gz UNDPOMXMYYPVPH-KBPBESRZSA-N -1 1 378.458 0.430 20 0 GCADMM Cn1cc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)nn1 ZINC000826361488 608063052 /nfs/dbraw/zinc/06/30/52/608063052.db2.gz ZAVKNPTXAVGARN-UHFFFAOYSA-N -1 1 382.388 0.565 20 0 GCADMM CNc1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000826089909 608078645 /nfs/dbraw/zinc/07/86/45/608078645.db2.gz ACRSUKKUPXINMM-VIFPVBQESA-N -1 1 386.445 0.506 20 0 GCADMM CNc1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000826089909 608078646 /nfs/dbraw/zinc/07/86/46/608078646.db2.gz ACRSUKKUPXINMM-VIFPVBQESA-N -1 1 386.445 0.506 20 0 GCADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)Cc1nccn1C ZINC000825892100 608079136 /nfs/dbraw/zinc/07/91/36/608079136.db2.gz FULDFPDBSVTHOE-UHFFFAOYSA-N -1 1 392.427 0.856 20 0 GCADMM CN(C)C(=O)Sc1cccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c1 ZINC000825846277 608095631 /nfs/dbraw/zinc/09/56/31/608095631.db2.gz UNSXUMOZPLWBJM-UHFFFAOYSA-N -1 1 387.425 0.549 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cccc(OC(F)F)c2)c1=O ZINC000826356318 608095889 /nfs/dbraw/zinc/09/58/89/608095889.db2.gz LDIXUZMYRAPURM-UHFFFAOYSA-N -1 1 378.295 0.211 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccn(-c3c(F)cccc3F)n2)c1=O ZINC000826356998 608095913 /nfs/dbraw/zinc/09/59/13/608095913.db2.gz NGOIYWHTJRFYKT-UHFFFAOYSA-N -1 1 386.322 0.239 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(-c3ccc(Cl)cc3)n2)c1=O ZINC000826356692 608096435 /nfs/dbraw/zinc/09/64/35/608096435.db2.gz BBOPHYWYNZCNJM-UHFFFAOYSA-N -1 1 386.759 0.479 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(C(=O)N3CCCCC3)c2)c1=O ZINC000826356814 608096597 /nfs/dbraw/zinc/09/65/97/608096597.db2.gz GZMGSANCWYUIHI-UHFFFAOYSA-N -1 1 395.423 0.402 20 0 GCADMM CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824104403 608096857 /nfs/dbraw/zinc/09/68/57/608096857.db2.gz RROPOYLJFFPGFE-UHFFFAOYSA-N -1 1 395.445 0.407 20 0 GCADMM CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824104403 608096858 /nfs/dbraw/zinc/09/68/58/608096858.db2.gz RROPOYLJFFPGFE-UHFFFAOYSA-N -1 1 395.445 0.407 20 0 GCADMM CN(Cc1ccc(Cl)c(F)c1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825966127 608099681 /nfs/dbraw/zinc/09/96/81/608099681.db2.gz PDJVPIOJHBBHRD-UHFFFAOYSA-N -1 1 379.783 0.693 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](NC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826231617 608103552 /nfs/dbraw/zinc/10/35/52/608103552.db2.gz SBRXZWAFSCBZFA-SECBINFHSA-N -1 1 388.457 0.744 20 0 GCADMM NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc21 ZINC000826393982 608107009 /nfs/dbraw/zinc/10/70/09/608107009.db2.gz RUALVCOGXAKPEO-UHFFFAOYSA-N -1 1 384.381 0.643 20 0 GCADMM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825897647 608111632 /nfs/dbraw/zinc/11/16/32/608111632.db2.gz JLCLCZJLUSGDNV-UHFFFAOYSA-N -1 1 391.450 0.450 20 0 GCADMM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825897647 608111633 /nfs/dbraw/zinc/11/16/33/608111633.db2.gz JLCLCZJLUSGDNV-UHFFFAOYSA-N -1 1 391.450 0.450 20 0 GCADMM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCN12 ZINC000826483391 608111850 /nfs/dbraw/zinc/11/18/50/608111850.db2.gz LUKRKLHUKOXTMT-SNVBAGLBSA-N -1 1 382.377 0.221 20 0 GCADMM O=C1OCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)CCN12 ZINC000826483334 608112048 /nfs/dbraw/zinc/11/20/48/608112048.db2.gz JYHYWIBXXVHTKO-SECBINFHSA-N -1 1 398.832 0.735 20 0 GCADMM O=C1OCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)CCN12 ZINC000826483334 608112049 /nfs/dbraw/zinc/11/20/49/608112049.db2.gz JYHYWIBXXVHTKO-SECBINFHSA-N -1 1 398.832 0.735 20 0 GCADMM C[C@H]1OCC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825020483 608114473 /nfs/dbraw/zinc/11/44/73/608114473.db2.gz KDRWROQAUXISOO-ZYHUDNBSSA-N -1 1 388.432 0.741 20 0 GCADMM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000826482911 608125451 /nfs/dbraw/zinc/12/54/51/608125451.db2.gz URWQDRIWAPFUDZ-UHFFFAOYSA-N -1 1 382.377 0.269 20 0 GCADMM O=S(=O)(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489133 608126944 /nfs/dbraw/zinc/12/69/44/608126944.db2.gz IOAPHZLCNUSTAL-LLVKDONJSA-N -1 1 380.336 0.952 20 0 GCADMM O=S(=O)(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489133 608126945 /nfs/dbraw/zinc/12/69/45/608126945.db2.gz IOAPHZLCNUSTAL-LLVKDONJSA-N -1 1 380.336 0.952 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN2CCOc3cccc1c32 ZINC000826494846 608149848 /nfs/dbraw/zinc/14/98/48/608149848.db2.gz RKYYUPCCDKSWLB-UHFFFAOYSA-N -1 1 385.409 0.669 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN2CCOc3cccc1c32 ZINC000826494846 608149850 /nfs/dbraw/zinc/14/98/50/608149850.db2.gz RKYYUPCCDKSWLB-UHFFFAOYSA-N -1 1 385.409 0.669 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccc3c(c2)CCCC(=O)N3)n(C)c1=O ZINC000826355999 608150429 /nfs/dbraw/zinc/15/04/29/608150429.db2.gz WPKUFGADKLXUDY-UHFFFAOYSA-N -1 1 383.368 0.331 20 0 GCADMM CCCn1c(C)nnc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825351861 608159706 /nfs/dbraw/zinc/15/97/06/608159706.db2.gz JZAXDMGSKPPPJQ-GFCCVEGCSA-N -1 1 383.464 0.677 20 0 GCADMM CCCn1c(C)nnc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825351861 608159707 /nfs/dbraw/zinc/15/97/07/608159707.db2.gz JZAXDMGSKPPPJQ-GFCCVEGCSA-N -1 1 383.464 0.677 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCC1=O ZINC000824865789 608180208 /nfs/dbraw/zinc/18/02/08/608180208.db2.gz JOUXFRLLLFNAHO-JHJVBQTASA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCC1=O ZINC000824865789 608180210 /nfs/dbraw/zinc/18/02/10/608180210.db2.gz JOUXFRLLLFNAHO-JHJVBQTASA-N -1 1 384.444 0.699 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000826425845 608180554 /nfs/dbraw/zinc/18/05/54/608180554.db2.gz WKXXDFHUMVQJNQ-VIFPVBQESA-N -1 1 391.798 0.646 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(Cc3cccnc3)CC2)n(C)c1=O ZINC000826355562 608194441 /nfs/dbraw/zinc/19/44/41/608194441.db2.gz FQAALTMRBNXLTQ-UHFFFAOYSA-N -1 1 382.428 0.118 20 0 GCADMM CN1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028735 608206611 /nfs/dbraw/zinc/20/66/11/608206611.db2.gz GZMPKPMGYDRZIL-TZMCWYRMSA-N -1 1 389.370 0.298 20 0 GCADMM CCNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000825476532 608210898 /nfs/dbraw/zinc/21/08/98/608210898.db2.gz MUKKAAJDISLKEO-NSHDSACASA-N -1 1 397.461 0.029 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(C(C)(C)C)nn1C ZINC000825934665 608211582 /nfs/dbraw/zinc/21/15/82/608211582.db2.gz POHNOEZDXSJUQQ-UHFFFAOYSA-N -1 1 386.464 0.908 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(C(C)(C)C)nn1C ZINC000825934665 608211584 /nfs/dbraw/zinc/21/15/84/608211584.db2.gz POHNOEZDXSJUQQ-UHFFFAOYSA-N -1 1 386.464 0.908 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)CN1CCOCC1 ZINC000826233029 608211959 /nfs/dbraw/zinc/21/19/59/608211959.db2.gz QWVXHWIVFYSKPC-LLVKDONJSA-N -1 1 390.444 0.781 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CNC(=O)CC(C)(C)C ZINC000825929133 608212569 /nfs/dbraw/zinc/21/25/69/608212569.db2.gz BERINCOUWUMUNC-UHFFFAOYSA-N -1 1 377.453 0.115 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CNC(=O)CC(C)(C)C ZINC000825929133 608212571 /nfs/dbraw/zinc/21/25/71/608212571.db2.gz BERINCOUWUMUNC-UHFFFAOYSA-N -1 1 377.453 0.115 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(-n2cncn2)c1 ZINC000825933935 608212662 /nfs/dbraw/zinc/21/26/62/608212662.db2.gz JBIXWXCUVVMSKJ-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(-n2cncn2)c1 ZINC000825933935 608212664 /nfs/dbraw/zinc/21/26/64/608212664.db2.gz JBIXWXCUVVMSKJ-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM Cc1nn2cccnc2c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826334859 608213170 /nfs/dbraw/zinc/21/31/70/608213170.db2.gz MKMNLTAUAOKGNM-UHFFFAOYSA-N -1 1 381.404 0.228 20 0 GCADMM Cc1nn2cccnc2c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826334859 608213172 /nfs/dbraw/zinc/21/31/72/608213172.db2.gz MKMNLTAUAOKGNM-UHFFFAOYSA-N -1 1 381.404 0.228 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Oc3ccccc3)nn2)c1=O ZINC000826357121 608231227 /nfs/dbraw/zinc/23/12/27/608231227.db2.gz RTAICWOJTZVUQK-UHFFFAOYSA-N -1 1 378.352 0.358 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)[C@H]2CCOC2)n(C)c1=O ZINC000826355608 608238790 /nfs/dbraw/zinc/23/87/90/608238790.db2.gz HHGLQYBRBKLRQJ-JSGCOSHPSA-N -1 1 383.412 0.454 20 0 GCADMM C[C@@H](CCO)N(Cc1ccccc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824406420 608240388 /nfs/dbraw/zinc/24/03/88/608240388.db2.gz JMXHTZDLMQVTRG-LBPRGKRZSA-N -1 1 385.428 0.042 20 0 GCADMM O=C1CC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)CCN12 ZINC000826479660 608242608 /nfs/dbraw/zinc/24/26/08/608242608.db2.gz FBSDEUWJNCNBGF-SECBINFHSA-N -1 1 382.833 0.515 20 0 GCADMM O=C1CC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)CCN12 ZINC000826479660 608242609 /nfs/dbraw/zinc/24/26/09/608242609.db2.gz FBSDEUWJNCNBGF-SECBINFHSA-N -1 1 382.833 0.515 20 0 GCADMM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825759912 608249091 /nfs/dbraw/zinc/24/90/91/608249091.db2.gz OYWIWQDAKLFBSI-UHFFFAOYSA-N -1 1 395.420 0.789 20 0 GCADMM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825759912 608249093 /nfs/dbraw/zinc/24/90/93/608249093.db2.gz OYWIWQDAKLFBSI-UHFFFAOYSA-N -1 1 395.420 0.789 20 0 GCADMM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826060279 608253639 /nfs/dbraw/zinc/25/36/39/608253639.db2.gz JRXQSCNAHNCMAZ-XCBNKYQSSA-N -1 1 377.430 0.334 20 0 GCADMM O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490750 608304111 /nfs/dbraw/zinc/30/41/11/608304111.db2.gz GKZBHEPALYMWMT-NSHDSACASA-N -1 1 383.405 0.970 20 0 GCADMM O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490779 608305127 /nfs/dbraw/zinc/30/51/27/608305127.db2.gz HJJUXEBNWINKEO-JTQLQIEISA-N -1 1 383.405 0.970 20 0 GCADMM O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490779 608305128 /nfs/dbraw/zinc/30/51/28/608305128.db2.gz HJJUXEBNWINKEO-JTQLQIEISA-N -1 1 383.405 0.970 20 0 GCADMM COCCN1CCN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1=O ZINC000826159939 608322175 /nfs/dbraw/zinc/32/21/75/608322175.db2.gz YJHYFDJBGYXCPR-UHFFFAOYSA-N -1 1 396.455 0.651 20 0 GCADMM CC(C)OC(=O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824305029 608340405 /nfs/dbraw/zinc/34/04/05/608340405.db2.gz JPBDCXXACFIGRY-UHFFFAOYSA-N -1 1 392.420 0.215 20 0 GCADMM CC(C)OC(=O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824305029 608340407 /nfs/dbraw/zinc/34/04/07/608340407.db2.gz JPBDCXXACFIGRY-UHFFFAOYSA-N -1 1 392.420 0.215 20 0 GCADMM Cc1nc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cs1 ZINC000826325872 608341422 /nfs/dbraw/zinc/34/14/22/608341422.db2.gz PCMAKJFUAZTQQO-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM Cc1nc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cs1 ZINC000826325872 608341424 /nfs/dbraw/zinc/34/14/24/608341424.db2.gz PCMAKJFUAZTQQO-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM CCO[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825584017 608351595 /nfs/dbraw/zinc/35/15/95/608351595.db2.gz ZLFYCWMFFSNXOR-LLVKDONJSA-N -1 1 390.448 0.784 20 0 GCADMM CCO[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825584017 608351597 /nfs/dbraw/zinc/35/15/97/608351597.db2.gz ZLFYCWMFFSNXOR-LLVKDONJSA-N -1 1 390.448 0.784 20 0 GCADMM CC(C)(C)C[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824086541 608352581 /nfs/dbraw/zinc/35/25/81/608352581.db2.gz NDFFPMBGHCQSIC-SNVBAGLBSA-N -1 1 392.464 0.670 20 0 GCADMM CC(C)(C)C[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824086541 608352583 /nfs/dbraw/zinc/35/25/83/608352583.db2.gz NDFFPMBGHCQSIC-SNVBAGLBSA-N -1 1 392.464 0.670 20 0 GCADMM CCC(CC)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825097753 608353417 /nfs/dbraw/zinc/35/34/17/608353417.db2.gz YTHLDIDQNAFIMT-LBPRGKRZSA-N -1 1 392.464 0.670 20 0 GCADMM CCC(CC)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825097753 608353419 /nfs/dbraw/zinc/35/34/19/608353419.db2.gz YTHLDIDQNAFIMT-LBPRGKRZSA-N -1 1 392.464 0.670 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2O)n1 ZINC000824147271 608354109 /nfs/dbraw/zinc/35/41/09/608354109.db2.gz BIOGWXBZNLMZKF-GXSJLCMTSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2O)n1 ZINC000824147271 608354111 /nfs/dbraw/zinc/35/41/11/608354111.db2.gz BIOGWXBZNLMZKF-GXSJLCMTSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC(C)(C)CCO)n1 ZINC000824152552 608354161 /nfs/dbraw/zinc/35/41/61/608354161.db2.gz HENZOZUJBVCGFU-UHFFFAOYSA-N -1 1 378.437 0.282 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC(C)(C)CCO)n1 ZINC000824152552 608354162 /nfs/dbraw/zinc/35/41/62/608354162.db2.gz HENZOZUJBVCGFU-UHFFFAOYSA-N -1 1 378.437 0.282 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCC[C@H](O)C2)n1 ZINC000824147420 608354430 /nfs/dbraw/zinc/35/44/30/608354430.db2.gz CEPHBTCIVLUKCF-QWRGUYRKSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCC[C@H](O)C2)n1 ZINC000824147420 608354432 /nfs/dbraw/zinc/35/44/32/608354432.db2.gz CEPHBTCIVLUKCF-QWRGUYRKSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)n1 ZINC000824147618 608355503 /nfs/dbraw/zinc/35/55/03/608355503.db2.gz FNUVOBRMFXNZNQ-PHIMTYICSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)n1 ZINC000824147618 608355505 /nfs/dbraw/zinc/35/55/05/608355505.db2.gz FNUVOBRMFXNZNQ-PHIMTYICSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CC[C@H](CO)CC2)n1 ZINC000824147620 608357689 /nfs/dbraw/zinc/35/76/89/608357689.db2.gz FNUVOBRMFXNZNQ-XYPYZODXSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CC[C@H](CO)CC2)n1 ZINC000824147620 608357691 /nfs/dbraw/zinc/35/76/91/608357691.db2.gz FNUVOBRMFXNZNQ-XYPYZODXSA-N -1 1 390.448 0.424 20 0 GCADMM C[C@@H]1C[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824882843 608357739 /nfs/dbraw/zinc/35/77/39/608357739.db2.gz CVLQYMFWSRAYKY-GHMZBOCLSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H]1C[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824882843 608357741 /nfs/dbraw/zinc/35/77/41/608357741.db2.gz CVLQYMFWSRAYKY-GHMZBOCLSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H](CO)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824436194 608357788 /nfs/dbraw/zinc/35/77/88/608357788.db2.gz QFXXFLLDCAGQIZ-JTQLQIEISA-N -1 1 378.437 0.282 20 0 GCADMM C[C@H](CO)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824436194 608357790 /nfs/dbraw/zinc/35/77/90/608357790.db2.gz QFXXFLLDCAGQIZ-JTQLQIEISA-N -1 1 378.437 0.282 20 0 GCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824402413 608357955 /nfs/dbraw/zinc/35/79/55/608357955.db2.gz WKEFAYGLZLWPGX-MNOVXSKESA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824402413 608357957 /nfs/dbraw/zinc/35/79/57/608357957.db2.gz WKEFAYGLZLWPGX-MNOVXSKESA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824677062 608357987 /nfs/dbraw/zinc/35/79/87/608357987.db2.gz AOZWLHNJSPCRJA-GHMZBOCLSA-N -1 1 390.448 0.376 20 0 GCADMM C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824677062 608357988 /nfs/dbraw/zinc/35/79/88/608357988.db2.gz AOZWLHNJSPCRJA-GHMZBOCLSA-N -1 1 390.448 0.376 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@](C)(O)C2)n1 ZINC000824838482 608358065 /nfs/dbraw/zinc/35/80/65/608358065.db2.gz QKVFPJSRRPLTIQ-INIZCTEOSA-N -1 1 376.421 0.130 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@](C)(O)C2)n1 ZINC000824838482 608358067 /nfs/dbraw/zinc/35/80/67/608358067.db2.gz QKVFPJSRRPLTIQ-INIZCTEOSA-N -1 1 376.421 0.130 20 0 GCADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825908699 608358520 /nfs/dbraw/zinc/35/85/20/608358520.db2.gz LCMZHSFLWFYTRU-CMPLNLGQSA-N -1 1 390.448 0.376 20 0 GCADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825908699 608358522 /nfs/dbraw/zinc/35/85/22/608358522.db2.gz LCMZHSFLWFYTRU-CMPLNLGQSA-N -1 1 390.448 0.376 20 0 GCADMM CCC(CC)(CO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825090432 608358775 /nfs/dbraw/zinc/35/87/75/608358775.db2.gz ZNXHWMPRNPRQCF-UHFFFAOYSA-N -1 1 392.464 0.672 20 0 GCADMM CCC(CC)(CO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825090432 608358776 /nfs/dbraw/zinc/35/87/76/608358776.db2.gz ZNXHWMPRNPRQCF-UHFFFAOYSA-N -1 1 392.464 0.672 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccccc2-n2ccnc2)n(C)c1=O ZINC000826356053 608383509 /nfs/dbraw/zinc/38/35/09/608383509.db2.gz YRQYGAAUQJELJZ-UHFFFAOYSA-N -1 1 379.384 0.062 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@](C)(O)C1 ZINC000826328022 608385993 /nfs/dbraw/zinc/38/59/93/608385993.db2.gz CZNGIENEZHYZBD-SFHVURJKSA-N -1 1 384.444 0.832 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@](C)(O)C1 ZINC000826328022 608385995 /nfs/dbraw/zinc/38/59/95/608385995.db2.gz CZNGIENEZHYZBD-SFHVURJKSA-N -1 1 384.444 0.832 20 0 GCADMM CN1C(=O)NC2(CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)C1=O ZINC000826018468 608408259 /nfs/dbraw/zinc/40/82/59/608408259.db2.gz ZURBUQSYESUQFE-UHFFFAOYSA-N -1 1 379.384 0.331 20 0 GCADMM CN1C(=O)NC2(CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)C1=O ZINC000826018468 608408260 /nfs/dbraw/zinc/40/82/60/608408260.db2.gz ZURBUQSYESUQFE-UHFFFAOYSA-N -1 1 379.384 0.331 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000825930359 608408335 /nfs/dbraw/zinc/40/83/35/608408335.db2.gz UMQKYNWGRNXVGQ-UHFFFAOYSA-N -1 1 384.404 0.367 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000825930359 608408336 /nfs/dbraw/zinc/40/83/36/608408336.db2.gz UMQKYNWGRNXVGQ-UHFFFAOYSA-N -1 1 384.404 0.367 20 0 GCADMM CC1CCC(NC(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC000824915533 608411258 /nfs/dbraw/zinc/41/12/58/608411258.db2.gz FZUKAHHUULOSBC-UHFFFAOYSA-N -1 1 385.476 0.474 20 0 GCADMM CC1CCC(NC(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC000824915533 608411259 /nfs/dbraw/zinc/41/12/59/608411259.db2.gz FZUKAHHUULOSBC-UHFFFAOYSA-N -1 1 385.476 0.474 20 0 GCADMM O=C1[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCN1c1ccccc1 ZINC000826477125 608419125 /nfs/dbraw/zinc/41/91/25/608419125.db2.gz WHVYRZLPXGUJNT-INIZCTEOSA-N -1 1 391.439 0.584 20 0 GCADMM O=C1[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCN1c1ccccc1 ZINC000826477125 608419127 /nfs/dbraw/zinc/41/91/27/608419127.db2.gz WHVYRZLPXGUJNT-INIZCTEOSA-N -1 1 391.439 0.584 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nnn[n-]4)nn3)cn2)C[C@@H](C)O1 ZINC000824969476 608422722 /nfs/dbraw/zinc/42/27/22/608422722.db2.gz UTKNJMAEVRCMMH-GHMZBOCLSA-N -1 1 384.404 0.233 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nn[n-]n4)nn3)cn2)C[C@@H](C)O1 ZINC000824969476 608422724 /nfs/dbraw/zinc/42/27/24/608422724.db2.gz UTKNJMAEVRCMMH-GHMZBOCLSA-N -1 1 384.404 0.233 20 0 GCADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000823967147 608438231 /nfs/dbraw/zinc/43/82/31/608438231.db2.gz JGVIPTDBKDTRSS-LBPRGKRZSA-N -1 1 398.431 0.791 20 0 GCADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000823967147 608438232 /nfs/dbraw/zinc/43/82/32/608438232.db2.gz JGVIPTDBKDTRSS-LBPRGKRZSA-N -1 1 398.431 0.791 20 0 GCADMM Cc1ccnc2c1NC(=O)CN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826314503 608445275 /nfs/dbraw/zinc/44/52/75/608445275.db2.gz ABRKURYGTXKEAO-UHFFFAOYSA-N -1 1 389.372 0.857 20 0 GCADMM COc1ccc2c(c1)OC[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000826213357 608446348 /nfs/dbraw/zinc/44/63/48/608446348.db2.gz USTMFYYDOLHCMI-NSHDSACASA-N -1 1 388.409 0.552 20 0 GCADMM COc1ccc2c(c1)OC[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000826213357 608446349 /nfs/dbraw/zinc/44/63/49/608446349.db2.gz USTMFYYDOLHCMI-NSHDSACASA-N -1 1 388.409 0.552 20 0 GCADMM Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826365358 608446469 /nfs/dbraw/zinc/44/64/69/608446469.db2.gz LDIZCDMJJIWUSU-LLVKDONJSA-N -1 1 378.393 0.660 20 0 GCADMM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826365643 608446956 /nfs/dbraw/zinc/44/69/56/608446956.db2.gz WSXIQUYIIPQPLM-JTQLQIEISA-N -1 1 378.393 0.660 20 0 GCADMM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826365643 608446958 /nfs/dbraw/zinc/44/69/58/608446958.db2.gz WSXIQUYIIPQPLM-JTQLQIEISA-N -1 1 378.393 0.660 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)Cc3cccnc3)CC2)o1 ZINC000826323317 608456378 /nfs/dbraw/zinc/45/63/78/608456378.db2.gz ZLFXBTHRBMXWCC-UHFFFAOYSA-N -1 1 397.443 0.339 20 0 GCADMM NS(=O)(=O)c1ccc(CCOC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826394274 608459347 /nfs/dbraw/zinc/45/93/47/608459347.db2.gz DOQYDTABVLEZSH-UHFFFAOYSA-N -1 1 379.423 0.975 20 0 GCADMM NS(=O)(=O)c1ccc(CCOC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826394274 608459349 /nfs/dbraw/zinc/45/93/49/608459349.db2.gz DOQYDTABVLEZSH-UHFFFAOYSA-N -1 1 379.423 0.975 20 0 GCADMM Cc1oc(NC(=O)COC(=O)CS(=O)(=O)C(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826342195 608470962 /nfs/dbraw/zinc/47/09/62/608470962.db2.gz AEUGWPFLZNAJDO-UHFFFAOYSA-N -1 1 399.429 0.772 20 0 GCADMM COCCN(CCNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000826158466 608474955 /nfs/dbraw/zinc/47/49/55/608474955.db2.gz PZVUSNYABYTCFG-UHFFFAOYSA-N -1 1 391.432 0.875 20 0 GCADMM COCCN(CCNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000826158466 608474957 /nfs/dbraw/zinc/47/49/57/608474957.db2.gz PZVUSNYABYTCFG-UHFFFAOYSA-N -1 1 391.432 0.875 20 0 GCADMM CC[C@]1(C)CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1=O ZINC000825164847 608484752 /nfs/dbraw/zinc/48/47/52/608484752.db2.gz KSVAEAQCKZYOFN-KZULUSFZSA-N -1 1 399.459 0.300 20 0 GCADMM CC[C@]1(C)CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1=O ZINC000825164847 608484754 /nfs/dbraw/zinc/48/47/54/608484754.db2.gz KSVAEAQCKZYOFN-KZULUSFZSA-N -1 1 399.459 0.300 20 0 GCADMM Cc1nnc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)[nH]1 ZINC000826325972 608541803 /nfs/dbraw/zinc/54/18/03/608541803.db2.gz TUROSIVEOAQJFB-UHFFFAOYSA-N -1 1 377.416 0.559 20 0 GCADMM Cc1cc(NC(=O)CN2CCN(c3nc(-c4nn[n-]n4)ccc3C)CC2)no1 ZINC000826270029 608542295 /nfs/dbraw/zinc/54/22/95/608542295.db2.gz IDHCZBFBEVLRGK-UHFFFAOYSA-N -1 1 383.416 0.627 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(C)COC(C)(C)OC1 ZINC000825923861 608556691 /nfs/dbraw/zinc/55/66/91/608556691.db2.gz ZEWANVCDOITKDK-UHFFFAOYSA-N -1 1 378.437 0.352 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(C)COC(C)(C)OC1 ZINC000825923861 608556693 /nfs/dbraw/zinc/55/66/93/608556693.db2.gz ZEWANVCDOITKDK-UHFFFAOYSA-N -1 1 378.437 0.352 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cn1cc2ccccc2n1 ZINC000825930085 608557013 /nfs/dbraw/zinc/55/70/13/608557013.db2.gz PMQNYKSUUGZLOS-UHFFFAOYSA-N -1 1 380.416 0.613 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cn1cc2ccccc2n1 ZINC000825930085 608557014 /nfs/dbraw/zinc/55/70/14/608557014.db2.gz PMQNYKSUUGZLOS-UHFFFAOYSA-N -1 1 380.416 0.613 20 0 GCADMM COc1cccc([C@@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826215204 608558297 /nfs/dbraw/zinc/55/82/97/608558297.db2.gz JGNUNJFJFFIKQS-CQSZACIVSA-N -1 1 386.416 0.305 20 0 GCADMM COc1cccc([C@@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826215204 608558299 /nfs/dbraw/zinc/55/82/99/608558299.db2.gz JGNUNJFJFFIKQS-CQSZACIVSA-N -1 1 386.416 0.305 20 0 GCADMM CCc1noc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000825776944 608558891 /nfs/dbraw/zinc/55/88/91/608558891.db2.gz OJQIEWZGTOTMRT-UHFFFAOYSA-N -1 1 388.436 0.531 20 0 GCADMM CCc1noc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000825776944 608558893 /nfs/dbraw/zinc/55/88/93/608558893.db2.gz OJQIEWZGTOTMRT-UHFFFAOYSA-N -1 1 388.436 0.531 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000825935245 608560561 /nfs/dbraw/zinc/56/05/61/608560561.db2.gz XHCLPFNKBXOLLF-UHFFFAOYSA-N -1 1 393.415 0.662 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N(C)CCNC(=O)C(C)C)cc1-c1nn[n-]n1 ZINC000826229579 608562680 /nfs/dbraw/zinc/56/26/80/608562680.db2.gz JKSSFYKHWNBXJW-UHFFFAOYSA-N -1 1 379.446 0.533 20 0 GCADMM O=C(C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)N1CCCC1 ZINC000826397080 608599343 /nfs/dbraw/zinc/59/93/43/608599343.db2.gz UBRQJSQWROUBKN-UHFFFAOYSA-N -1 1 375.458 0.195 20 0 GCADMM C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000826231943 608617579 /nfs/dbraw/zinc/61/75/79/608617579.db2.gz SLIHSLGACPZXNL-SNVBAGLBSA-N -1 1 383.368 0.490 20 0 GCADMM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000825499857 608674064 /nfs/dbraw/zinc/67/40/64/608674064.db2.gz VUTRWHRCASZJSO-LBPRGKRZSA-N -1 1 376.417 0.693 20 0 GCADMM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000825499857 608674066 /nfs/dbraw/zinc/67/40/66/608674066.db2.gz VUTRWHRCASZJSO-LBPRGKRZSA-N -1 1 376.417 0.693 20 0 GCADMM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cc2[nH]c(O)nc2O)cc1 ZINC000826423562 608823019 /nfs/dbraw/zinc/82/30/19/608823019.db2.gz VJIFQHOGAQGESQ-HNNXBMFYSA-N -1 1 391.391 0.798 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnn3cc(Br)cnc23)n1 ZINC000826357526 608836251 /nfs/dbraw/zinc/83/62/51/608836251.db2.gz IONJPSKYIMOOOC-UHFFFAOYSA-N -1 1 389.177 0.658 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnn3cc(Br)cnc23)n1 ZINC000826357526 608836252 /nfs/dbraw/zinc/83/62/52/608836252.db2.gz IONJPSKYIMOOOC-UHFFFAOYSA-N -1 1 389.177 0.658 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)CCCn2ccnc2-c2nnn[n-]2)cc1 ZINC000823999520 608891766 /nfs/dbraw/zinc/89/17/66/608891766.db2.gz DQVRAGPNGLAVBH-UHFFFAOYSA-N -1 1 375.414 0.886 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)CCCn2ccnc2-c2nn[n-]n2)cc1 ZINC000823999520 608891767 /nfs/dbraw/zinc/89/17/67/608891767.db2.gz DQVRAGPNGLAVBH-UHFFFAOYSA-N -1 1 375.414 0.886 20 0 GCADMM Cc1cc(C(N)=O)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826262214 609153657 /nfs/dbraw/zinc/15/36/57/609153657.db2.gz IBWMJJJZNGREOI-UHFFFAOYSA-N -1 1 398.431 0.676 20 0 GCADMM Cc1cc(C(N)=O)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826262214 609153658 /nfs/dbraw/zinc/15/36/58/609153658.db2.gz IBWMJJJZNGREOI-UHFFFAOYSA-N -1 1 398.431 0.676 20 0 GCADMM COCc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ncn1 ZINC000826164199 609159716 /nfs/dbraw/zinc/15/97/16/609159716.db2.gz HAKMBLWNGREZJL-UHFFFAOYSA-N -1 1 387.408 0.205 20 0 GCADMM COCc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ncn1 ZINC000826164199 609159718 /nfs/dbraw/zinc/15/97/18/609159718.db2.gz HAKMBLWNGREZJL-UHFFFAOYSA-N -1 1 387.408 0.205 20 0 GCADMM CCOCCOC1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000825599283 609183373 /nfs/dbraw/zinc/18/33/73/609183373.db2.gz KLEMEVWOICYGFX-UHFFFAOYSA-N -1 1 387.849 0.946 20 0 GCADMM CCS(=O)(=O)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000825668430 609270899 /nfs/dbraw/zinc/27/08/99/609270899.db2.gz FWSYKYQWSJCWPG-UHFFFAOYSA-N -1 1 390.429 0.716 20 0 GCADMM CCS(=O)(=O)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000825668430 609270900 /nfs/dbraw/zinc/27/09/00/609270900.db2.gz FWSYKYQWSJCWPG-UHFFFAOYSA-N -1 1 390.429 0.716 20 0 GCADMM Cc1nc(CN(C)C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)no1 ZINC000826326087 609285408 /nfs/dbraw/zinc/28/54/08/609285408.db2.gz ZGIPVZNVGHNCOL-UHFFFAOYSA-N -1 1 396.415 0.809 20 0 GCADMM Cc1nc(CN(C)C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)no1 ZINC000826326087 609285410 /nfs/dbraw/zinc/28/54/10/609285410.db2.gz ZGIPVZNVGHNCOL-UHFFFAOYSA-N -1 1 396.415 0.809 20 0 GCADMM O=C(Nn1cnnc1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826461222 609286320 /nfs/dbraw/zinc/28/63/20/609286320.db2.gz LSGBTRZJROGRRS-UHFFFAOYSA-N -1 1 396.371 0.693 20 0 GCADMM CCS(=O)(=O)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825659462 609286836 /nfs/dbraw/zinc/28/68/36/609286836.db2.gz UMZBYCFMWKTFMG-UHFFFAOYSA-N -1 1 379.377 0.565 20 0 GCADMM CS(=O)(=O)CCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826222755 609288751 /nfs/dbraw/zinc/28/87/51/609288751.db2.gz LJUCXWGLLHYFPH-UHFFFAOYSA-N -1 1 379.377 0.565 20 0 GCADMM CCN1C[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1=O ZINC000825444643 609292528 /nfs/dbraw/zinc/29/25/28/609292528.db2.gz PQRQGYBQMFDNFP-SNVBAGLBSA-N -1 1 384.375 0.998 20 0 GCADMM CC(C)COCCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824271126 609298419 /nfs/dbraw/zinc/29/84/19/609298419.db2.gz LCHSAURAAQVRIQ-UHFFFAOYSA-N -1 1 379.469 0.809 20 0 GCADMM CC(C)COCCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824271126 609298421 /nfs/dbraw/zinc/29/84/21/609298421.db2.gz LCHSAURAAQVRIQ-UHFFFAOYSA-N -1 1 379.469 0.809 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1cccc2c1OCO2 ZINC000825929880 609300668 /nfs/dbraw/zinc/30/06/68/609300668.db2.gz NKYWRUFYAPFQJH-UHFFFAOYSA-N -1 1 399.415 0.675 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cccc2c1OCO2 ZINC000825929880 609300670 /nfs/dbraw/zinc/30/06/70/609300670.db2.gz NKYWRUFYAPFQJH-UHFFFAOYSA-N -1 1 399.415 0.675 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC000826229619 609301338 /nfs/dbraw/zinc/30/13/38/609301338.db2.gz KYAHRSBWHPXOSU-XCBNKYQSSA-N -1 1 377.430 0.463 20 0 GCADMM CCOC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000825492788 609302012 /nfs/dbraw/zinc/30/20/12/609302012.db2.gz HNXSMPXKCFRWGB-IINYFYTJSA-N -1 1 378.389 0.180 20 0 GCADMM CCOC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000825492788 609302013 /nfs/dbraw/zinc/30/20/13/609302013.db2.gz HNXSMPXKCFRWGB-IINYFYTJSA-N -1 1 378.389 0.180 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1cccc(CO)c1 ZINC000825930170 609302789 /nfs/dbraw/zinc/30/27/89/609302789.db2.gz QTGAMEUSPNRXBR-UHFFFAOYSA-N -1 1 385.432 0.439 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cccc(CO)c1 ZINC000825930170 609302791 /nfs/dbraw/zinc/30/27/91/609302791.db2.gz QTGAMEUSPNRXBR-UHFFFAOYSA-N -1 1 385.432 0.439 20 0 GCADMM COc1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826216311 609302905 /nfs/dbraw/zinc/30/29/05/609302905.db2.gz SDJDEUFRSGEDOQ-UHFFFAOYSA-N -1 1 386.420 0.350 20 0 GCADMM COc1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826216311 609302906 /nfs/dbraw/zinc/30/29/06/609302906.db2.gz SDJDEUFRSGEDOQ-UHFFFAOYSA-N -1 1 386.420 0.350 20 0 GCADMM CC(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824224696 609303284 /nfs/dbraw/zinc/30/32/84/609303284.db2.gz QBERISSRHOCQMP-BXUZGUMPSA-N -1 1 391.480 0.807 20 0 GCADMM CC(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824224696 609303286 /nfs/dbraw/zinc/30/32/86/609303286.db2.gz QBERISSRHOCQMP-BXUZGUMPSA-N -1 1 391.480 0.807 20 0 GCADMM CC(C)C[C@H](CCO)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824237919 609303327 /nfs/dbraw/zinc/30/33/27/609303327.db2.gz WSKLXRYGESWPNI-LBPRGKRZSA-N -1 1 393.496 0.791 20 0 GCADMM CC(C)C[C@H](CCO)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824237919 609303330 /nfs/dbraw/zinc/30/33/30/609303330.db2.gz WSKLXRYGESWPNI-LBPRGKRZSA-N -1 1 393.496 0.791 20 0 GCADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCOCC1 ZINC000825134254 609304133 /nfs/dbraw/zinc/30/41/33/609304133.db2.gz SKNKXEWGGMRGCM-LBPRGKRZSA-N -1 1 391.480 0.951 20 0 GCADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCOCC1 ZINC000825134254 609304135 /nfs/dbraw/zinc/30/41/35/609304135.db2.gz SKNKXEWGGMRGCM-LBPRGKRZSA-N -1 1 391.480 0.951 20 0 GCADMM C[C@H]1CC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824893833 609309370 /nfs/dbraw/zinc/30/93/70/609309370.db2.gz VJHCWFKDBKFHQZ-UWVGGRQHSA-N -1 1 377.453 0.702 20 0 GCADMM C[C@H]1CC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824893833 609309372 /nfs/dbraw/zinc/30/93/72/609309372.db2.gz VJHCWFKDBKFHQZ-UWVGGRQHSA-N -1 1 377.453 0.702 20 0 GCADMM CC(C)[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824216461 609309413 /nfs/dbraw/zinc/30/94/13/609309413.db2.gz RVWWHRXSRVDBIW-DGCLKSJQSA-N -1 1 391.480 0.950 20 0 GCADMM CC(C)[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824216461 609309414 /nfs/dbraw/zinc/30/94/14/609309414.db2.gz RVWWHRXSRVDBIW-DGCLKSJQSA-N -1 1 391.480 0.950 20 0 GCADMM COCCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000826155362 609309812 /nfs/dbraw/zinc/30/98/12/609309812.db2.gz NJSBEPNDQAASJC-UHFFFAOYSA-N -1 1 377.453 0.563 20 0 GCADMM COCCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000826155362 609309814 /nfs/dbraw/zinc/30/98/14/609309814.db2.gz NJSBEPNDQAASJC-UHFFFAOYSA-N -1 1 377.453 0.563 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000825930383 609309866 /nfs/dbraw/zinc/30/98/66/609309866.db2.gz VKCBLYKJXFWRQR-DMDPSCGWSA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000825930383 609309868 /nfs/dbraw/zinc/30/98/68/609309868.db2.gz VKCBLYKJXFWRQR-DMDPSCGWSA-N -1 1 389.464 0.704 20 0 GCADMM O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826424706 609313740 /nfs/dbraw/zinc/31/37/40/609313740.db2.gz ZCOLJURQIZGLBC-UHFFFAOYSA-N -1 1 397.330 0.093 20 0 GCADMM Cc1noc(C2(C)CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000826339819 609318992 /nfs/dbraw/zinc/31/89/92/609318992.db2.gz VTULVLYMGIZKLL-UHFFFAOYSA-N -1 1 390.429 0.696 20 0 GCADMM Cc1noc(C2(C)CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000826339819 609318993 /nfs/dbraw/zinc/31/89/93/609318993.db2.gz VTULVLYMGIZKLL-UHFFFAOYSA-N -1 1 390.429 0.696 20 0 GCADMM C[C@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824401165 609331665 /nfs/dbraw/zinc/33/16/65/609331665.db2.gz NOWBIMUXYJNWGL-SNVBAGLBSA-N -1 1 397.461 0.843 20 0 GCADMM C[C@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824401165 609331667 /nfs/dbraw/zinc/33/16/67/609331667.db2.gz NOWBIMUXYJNWGL-SNVBAGLBSA-N -1 1 397.461 0.843 20 0 GCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H]1F ZINC000824949937 609351731 /nfs/dbraw/zinc/35/17/31/609351731.db2.gz ZFBQLIHJOLLIRJ-MWLCHTKSSA-N -1 1 378.412 0.963 20 0 GCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H]1F ZINC000824949937 609351735 /nfs/dbraw/zinc/35/17/35/609351735.db2.gz ZFBQLIHJOLLIRJ-MWLCHTKSSA-N -1 1 378.412 0.963 20 0 GCADMM Cc1cc2c(cc1NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1)OCO2 ZINC000826273221 609356208 /nfs/dbraw/zinc/35/62/08/609356208.db2.gz USIIGWUOUVDECE-UHFFFAOYSA-N -1 1 385.388 0.963 20 0 GCADMM Cc1cc2c(cc1NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1)OCO2 ZINC000826273221 609356210 /nfs/dbraw/zinc/35/62/10/609356210.db2.gz USIIGWUOUVDECE-UHFFFAOYSA-N -1 1 385.388 0.963 20 0 GCADMM C[C@H]1CC(=O)NCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824864401 609358170 /nfs/dbraw/zinc/35/81/70/609358170.db2.gz BDALGGGIKYZHDS-JTQLQIEISA-N -1 1 399.390 0.934 20 0 GCADMM CN1CC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1=O ZINC000826028626 609358608 /nfs/dbraw/zinc/35/86/08/609358608.db2.gz DNTNBKSFKIRJSX-JTQLQIEISA-N -1 1 385.363 0.544 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CCCCNC1=O ZINC000826458538 609359735 /nfs/dbraw/zinc/35/97/35/609359735.db2.gz UKVZWHNQEIHDTJ-LLVKDONJSA-N -1 1 399.390 0.982 20 0 GCADMM Cn1cnc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826364673 609361448 /nfs/dbraw/zinc/36/14/48/609361448.db2.gz GALWAWXLIOZGOE-UHFFFAOYSA-N -1 1 383.351 0.642 20 0 GCADMM COC[C@](C)(O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826148309 609363862 /nfs/dbraw/zinc/36/38/62/609363862.db2.gz FLZXGDIWRIZQLM-MRXNPFEDSA-N -1 1 390.379 0.710 20 0 GCADMM COC[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)OC ZINC000826149545 609364349 /nfs/dbraw/zinc/36/43/49/609364349.db2.gz JZSJHYNZQLNYAX-JTQLQIEISA-N -1 1 390.379 0.974 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)NC1CC=CC1 ZINC000826458239 609370008 /nfs/dbraw/zinc/37/00/08/609370008.db2.gz ITLLSOSGIXRVRA-UHFFFAOYSA-N -1 1 382.359 0.965 20 0 GCADMM CC(C)Cn1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000824280803 609394327 /nfs/dbraw/zinc/39/43/27/609394327.db2.gz UTPCAJBDUYIFOH-CYBMUJFWSA-N -1 1 396.459 0.860 20 0 GCADMM CC(C)Cn1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000824280803 609394329 /nfs/dbraw/zinc/39/43/29/609394329.db2.gz UTPCAJBDUYIFOH-CYBMUJFWSA-N -1 1 396.459 0.860 20 0 GCADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826280395 609450520 /nfs/dbraw/zinc/45/05/20/609450520.db2.gz AGPBDXWLCPEMRQ-UHFFFAOYSA-N -1 1 383.397 0.952 20 0 GCADMM CC(C)c1nc([C@@H]2COCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)no1 ZINC000824358252 609493858 /nfs/dbraw/zinc/49/38/58/609493858.db2.gz DUGUPLPCPYPEQN-JTQLQIEISA-N -1 1 388.392 0.712 20 0 GCADMM CC(C)c1nc([C@@H]2COCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)no1 ZINC000824358252 609493860 /nfs/dbraw/zinc/49/38/60/609493860.db2.gz DUGUPLPCPYPEQN-JTQLQIEISA-N -1 1 388.392 0.712 20 0 GCADMM CC(C)c1nc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)no1 ZINC000824359572 609494778 /nfs/dbraw/zinc/49/47/78/609494778.db2.gz WZSXXGTYTGUPPI-SNVBAGLBSA-N -1 1 388.392 0.712 20 0 GCADMM CC(C)c1nc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)no1 ZINC000824359572 609494779 /nfs/dbraw/zinc/49/47/79/609494779.db2.gz WZSXXGTYTGUPPI-SNVBAGLBSA-N -1 1 388.392 0.712 20 0 GCADMM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000826337284 609498163 /nfs/dbraw/zinc/49/81/63/609498163.db2.gz JDNKCROUUDYOFO-JTQLQIEISA-N -1 1 378.393 0.199 20 0 GCADMM CCc1nnc2n1C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000825770540 609499114 /nfs/dbraw/zinc/49/91/14/609499114.db2.gz AUAYYXBPNGABTH-SECBINFHSA-N -1 1 392.420 0.453 20 0 GCADMM CCc1nnc2n1C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000825770540 609499116 /nfs/dbraw/zinc/49/91/16/609499116.db2.gz AUAYYXBPNGABTH-SECBINFHSA-N -1 1 392.420 0.453 20 0 GCADMM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000825771629 609499737 /nfs/dbraw/zinc/49/97/37/609499737.db2.gz NIQABRRIUYFYIF-JTQLQIEISA-N -1 1 392.420 0.453 20 0 GCADMM COCc1nc([C@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000826165462 609502947 /nfs/dbraw/zinc/50/29/47/609502947.db2.gz WBBWLZPOCAFHCT-MRVPVSSYSA-N -1 1 377.386 0.671 20 0 GCADMM COCc1nc([C@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000826165462 609502949 /nfs/dbraw/zinc/50/29/49/609502949.db2.gz WBBWLZPOCAFHCT-MRVPVSSYSA-N -1 1 377.386 0.671 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826496540 609572237 /nfs/dbraw/zinc/57/22/37/609572237.db2.gz ZNKLNMDUGWGWJR-OLZOCXBDSA-N -1 1 396.448 0.226 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826496540 609572240 /nfs/dbraw/zinc/57/22/40/609572240.db2.gz ZNKLNMDUGWGWJR-OLZOCXBDSA-N -1 1 396.448 0.226 20 0 GCADMM O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429492 609599035 /nfs/dbraw/zinc/59/90/35/609599035.db2.gz FIICZEVDBKRCQP-HNNXBMFYSA-N -1 1 378.396 0.578 20 0 GCADMM O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429492 609599038 /nfs/dbraw/zinc/59/90/38/609599038.db2.gz FIICZEVDBKRCQP-HNNXBMFYSA-N -1 1 378.396 0.578 20 0 GCADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C(=O)OC)C1 ZINC000826133215 609624469 /nfs/dbraw/zinc/62/44/69/609624469.db2.gz KIMUAOLTZFYZGM-IUCAKERBSA-N -1 1 379.398 0.495 20 0 GCADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C(=O)OC)C1 ZINC000826133215 609624470 /nfs/dbraw/zinc/62/44/70/609624470.db2.gz KIMUAOLTZFYZGM-IUCAKERBSA-N -1 1 379.398 0.495 20 0 GCADMM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000866859082 638524374 /nfs/dbraw/zinc/52/43/74/638524374.db2.gz JBMVJWZAOUENCZ-INIZCTEOSA-N -1 1 387.527 0.720 20 0 GCADMM CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2n[n-]c(=S)n2C)n(C)c1 ZINC000066625265 638586282 /nfs/dbraw/zinc/58/62/82/638586282.db2.gz FNNMNIUUQCYINX-UHFFFAOYSA-N -1 1 386.503 0.777 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccnc1)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637605 638586636 /nfs/dbraw/zinc/58/66/36/638586636.db2.gz XBSOWOMNIYRUFC-UHFFFAOYSA-N -1 1 382.471 0.655 20 0 GCADMM Cc1nc(S(=O)(=O)[N-]CCCc2nncn2C)c(Br)n1C ZINC000314042786 638605545 /nfs/dbraw/zinc/60/55/45/638605545.db2.gz SFYNJZSVJMILSE-UHFFFAOYSA-N -1 1 377.268 0.531 20 0 GCADMM CC1(C)[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)C[C@H]1N1CCOCC1 ZINC000867451036 638609989 /nfs/dbraw/zinc/60/99/89/638609989.db2.gz AAQRXEPMTMBXAV-NXEZZACHSA-N -1 1 393.307 0.950 20 0 GCADMM O=C([N-]N1CC(=O)NC1=O)c1cc(I)c(F)cc1F ZINC000178892944 638684855 /nfs/dbraw/zinc/68/48/55/638684855.db2.gz CFLRIVXWFQPOTH-UHFFFAOYSA-N -1 1 381.076 0.766 20 0 GCADMM CC(Nc1ccc(S(=O)(=O)C(F)F)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000054502538 639183356 /nfs/dbraw/zinc/18/33/56/639183356.db2.gz AWAUXOZGFKGCGX-UHFFFAOYSA-N -1 1 375.378 0.900 20 0 GCADMM CN(C)c1noc([C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000904663234 639285808 /nfs/dbraw/zinc/28/58/08/639285808.db2.gz RPWYLOANHKWPTA-LBPRGKRZSA-N -1 1 388.471 0.590 20 0 GCADMM CN(C)c1noc([C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000904663233 639285818 /nfs/dbraw/zinc/28/58/18/639285818.db2.gz RPWYLOANHKWPTA-GFCCVEGCSA-N -1 1 388.471 0.590 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(I)n1 ZINC000907105365 639356818 /nfs/dbraw/zinc/35/68/18/639356818.db2.gz SZAHGCGWOLMYDE-SSDOTTSWSA-N -1 1 387.185 0.558 20 0 GCADMM CSc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)n1 ZINC000348368862 639467898 /nfs/dbraw/zinc/46/78/98/639467898.db2.gz CITALNPTIHAHQW-LLVKDONJSA-N -1 1 395.528 0.644 20 0 GCADMM COCCN(CCC(=O)[O-])C(=O)c1cnc(I)c(O)c1 ZINC000908959599 639470433 /nfs/dbraw/zinc/47/04/33/639470433.db2.gz OHNMXNHMQMQWOD-UHFFFAOYSA-N -1 1 394.165 0.955 20 0 GCADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](n1cncn1)C(F)(F)F ZINC000912553520 639544720 /nfs/dbraw/zinc/54/47/20/639544720.db2.gz KOSBXUFUAGFRJO-ZETCQYMHSA-N -1 1 382.324 0.178 20 0 GCADMM Cc1noc(C)c1S(=O)(=O)[N-]N=c1ccc(S(=O)(=O)NC2CC2)c[nH]1 ZINC000032092503 639590546 /nfs/dbraw/zinc/59/05/46/639590546.db2.gz DDPCPZWCGMVRKQ-UHFFFAOYSA-N -1 1 387.443 0.433 20 0 GCADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOCC[C@H]2C)n1 ZINC000349486096 639597999 /nfs/dbraw/zinc/59/79/99/639597999.db2.gz AFYIGBPATRHVMG-CQSZACIVSA-N -1 1 391.515 0.962 20 0 GCADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOCC[C@H]2C)nc1 ZINC000349491081 639600002 /nfs/dbraw/zinc/60/00/02/639600002.db2.gz JBENYPGHFOPGBS-CQSZACIVSA-N -1 1 391.515 0.962 20 0 GCADMM CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C)cc(C)n2)C1 ZINC000349496135 639601801 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C[C@@H]1CN(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@@H](C)O1 ZINC000436697147 1195026061 /nfs/dbraw/zinc/02/60/61/1195026061.db2.gz KGPHUGVAZQQQNH-ZIAGYGMSSA-N -1 1 399.513 0.872 20 0 GCADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(O)c3)cnc21 ZINC000436766499 1195036263 /nfs/dbraw/zinc/03/62/63/1195036263.db2.gz DXDOIOHSCJVQTA-UHFFFAOYSA-N -1 1 392.349 0.239 20 0 GCADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000436823164 1195040689 /nfs/dbraw/zinc/04/06/89/1195040689.db2.gz ZRKLYRWBXGPABC-UHFFFAOYSA-N -1 1 387.421 0.810 20 0 GCADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)c1 ZINC000516357846 1195045337 /nfs/dbraw/zinc/04/53/37/1195045337.db2.gz LOZHZILTOGXLGP-UHFFFAOYSA-N -1 1 392.433 0.925 20 0 GCADMM COc1cc(NC(=O)N[C@H]2CCC(=O)N(C)C2=O)ccc1[N-]S(C)(=O)=O ZINC000425650483 1195048607 /nfs/dbraw/zinc/04/86/07/1195048607.db2.gz KFTVHZYGHOEEJW-NSHDSACASA-N -1 1 384.414 0.336 20 0 GCADMM Cn1nnc2cc(C(=O)Nc3cc(S(=O)(=O)NC4CC4)ccc3[O-])cnc21 ZINC000436980483 1195052856 /nfs/dbraw/zinc/05/28/56/1195052856.db2.gz QKCQKDTUSRXKNM-UHFFFAOYSA-N -1 1 388.409 0.762 20 0 GCADMM O=C(C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1)c1ccc([O-])cc1 ZINC000436981671 1195053482 /nfs/dbraw/zinc/05/34/82/1195053482.db2.gz CXHBKEHTXXXTHS-UHFFFAOYSA-N -1 1 392.419 0.895 20 0 GCADMM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2c([O-])cccc2F)c1 ZINC000436991973 1195054670 /nfs/dbraw/zinc/05/46/70/1195054670.db2.gz XBQUTZUHHIGUDC-UHFFFAOYSA-N -1 1 381.385 0.808 20 0 GCADMM COc1ccccc1CCNC(=O)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000437726414 1195145527 /nfs/dbraw/zinc/14/55/27/1195145527.db2.gz ATEJXXDASPXULA-UHFFFAOYSA-N -1 1 386.408 0.001 20 0 GCADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000290782780 1195147653 /nfs/dbraw/zinc/14/76/53/1195147653.db2.gz PNNSSLUYTMVAFG-MRVPVSSYSA-N -1 1 382.406 0.799 20 0 GCADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCNC(=O)Cc2cccc(F)c2)o1 ZINC000517393189 1195178073 /nfs/dbraw/zinc/17/80/73/1195178073.db2.gz JEEJDEKIHYQCGA-UHFFFAOYSA-N -1 1 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1195602564 /nfs/dbraw/zinc/60/25/64/1195602564.db2.gz JLULQDLXUXLHKQ-UHFFFAOYSA-N -1 1 393.425 0.882 20 0 GCADMM COc1ccc(NC(=O)NCc2ccc(C(N)=O)nc2)cc1[N-]S(C)(=O)=O ZINC000441090520 1195602750 /nfs/dbraw/zinc/60/27/50/1195602750.db2.gz COOYDNZJRVCMDS-UHFFFAOYSA-N -1 1 393.425 0.882 20 0 GCADMM Cn1[n-]c(CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)nc1=O ZINC000328918714 1195680321 /nfs/dbraw/zinc/68/03/21/1195680321.db2.gz SEIOZDRHTZSJLW-KRWDZBQOSA-N -1 1 384.484 0.417 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)o1 ZINC000330681800 1195702143 /nfs/dbraw/zinc/70/21/43/1195702143.db2.gz PGYRURYIEOGQPM-UHFFFAOYSA-N -1 1 379.442 0.719 20 0 GCADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2(C(=O)OC)CCOCC2)c1F ZINC001211861749 1195705333 /nfs/dbraw/zinc/70/53/33/1195705333.db2.gz ZGJKGEPDCHPHSK-UHFFFAOYSA-N -1 1 393.364 0.752 20 0 GCADMM CCC(CC)(NC(=O)C1CN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)C1)C(N)=O ZINC000579393854 1195751965 /nfs/dbraw/zinc/75/19/65/1195751965.db2.gz QIRCFVKMGNMPCM-UHFFFAOYSA-N 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FEFCQWSJZNWUEK-UHFFFAOYSA-N -1 1 383.408 0.708 20 0 GCADMM CC(C)[C@H](NC(=O)c1cnc(-c2ccccn2)[n-]c1=O)C(=O)N1CCOCC1 ZINC001190629632 1206041110 /nfs/dbraw/zinc/04/11/10/1206041110.db2.gz UJUWSLASHBBMOA-HNNXBMFYSA-N -1 1 385.424 0.857 20 0 GCADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(N)=O ZINC001190910313 1206050973 /nfs/dbraw/zinc/05/09/73/1206050973.db2.gz MWTRMUFNVXYUST-SNVBAGLBSA-N -1 1 396.238 0.475 20 0 GCADMM O=C([O-])[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)[C@@H]1CCCOC1 ZINC001119580348 939813531 /nfs/dbraw/zinc/81/35/31/939813531.db2.gz LXJMDUZCYWOIFM-CRAIPNDOSA-N -1 1 376.457 0.590 20 0 GCADMM O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571257950 945345305 /nfs/dbraw/zinc/34/53/05/945345305.db2.gz KIUYLMIIXUNWLQ-UHFFFAOYSA-N -1 1 385.409 0.903 20 0 GCADMM O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571257950 945345318 /nfs/dbraw/zinc/34/53/18/945345318.db2.gz KIUYLMIIXUNWLQ-UHFFFAOYSA-N -1 1 385.409 0.903 20 0 GCADMM O=C([O-])Cc1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 ZINC001611519669 971095390 /nfs/dbraw/zinc/09/53/90/971095390.db2.gz SGGMOYXFTFSJCW-UHFFFAOYSA-N -1 1 382.217 0.999 20 0 GCADMM CCc1nn(CC(=O)NCc2ccccc2OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705006 944873871 /nfs/dbraw/zinc/87/38/71/944873871.db2.gz BRUUUFXRWZNPNA-UHFFFAOYSA-N -1 1 397.439 0.873 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000737198599 944983189 /nfs/dbraw/zinc/98/31/89/944983189.db2.gz BFJCLWZTHLKRJU-NSHDSACASA-N -1 1 383.416 0.239 20 0 GCADMM CN(C(=O)[C@H]1CCC(=O)N1)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571259035 945374901 /nfs/dbraw/zinc/37/49/01/945374901.db2.gz GNPURWYILOWFNQ-HTAVTVPLSA-N -1 1 385.432 0.117 20 0 GCADMM CN(C(=O)[C@H]1CCC(=O)N1)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571259035 945374910 /nfs/dbraw/zinc/37/49/10/945374910.db2.gz GNPURWYILOWFNQ-HTAVTVPLSA-N -1 1 385.432 0.117 20 0 GCADMM O=C(CN1CCCCC1=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571259039 945376231 /nfs/dbraw/zinc/37/62/31/945376231.db2.gz CBYIGWYAZRHDHD-GFCCVEGCSA-N -1 1 385.432 0.072 20 0 GCADMM O=C(CN1CCCCC1=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571259039 945376237 /nfs/dbraw/zinc/37/62/37/945376237.db2.gz CBYIGWYAZRHDHD-GFCCVEGCSA-N -1 1 385.432 0.072 20 0 GCADMM CN1C(=O)CCC[C@H]1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571259261 945380895 /nfs/dbraw/zinc/38/08/95/945380895.db2.gz KFAZYKMGTMCLFQ-ZDUSSCGKSA-N -1 1 385.432 0.071 20 0 GCADMM CN1C(=O)CCC[C@H]1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259261 945380900 /nfs/dbraw/zinc/38/09/00/945380900.db2.gz KFAZYKMGTMCLFQ-ZDUSSCGKSA-N -1 1 385.432 0.071 20 0 GCADMM CCc1c[nH]c(CNC(=O)C2CCN(c3oc(C)nc3-c3nn[n-]n3)CC2)n1 ZINC001571259740 945395668 /nfs/dbraw/zinc/39/56/68/945395668.db2.gz QGYJXOHBNVPJIL-UHFFFAOYSA-N -1 1 385.432 0.981 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571261141 945422806 /nfs/dbraw/zinc/42/28/06/945422806.db2.gz AYSSJFHQOZDCMU-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571261141 945422810 /nfs/dbraw/zinc/42/28/10/945422810.db2.gz AYSSJFHQOZDCMU-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM CCc1ncc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571261417 945427152 /nfs/dbraw/zinc/42/71/52/945427152.db2.gz DVRKVFDKYCGQOW-SNVBAGLBSA-N -1 1 385.457 0.932 20 0 GCADMM CCc1ncc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571261417 945427158 /nfs/dbraw/zinc/42/71/58/945427158.db2.gz DVRKVFDKYCGQOW-SNVBAGLBSA-N -1 1 385.457 0.932 20 0 GCADMM Cc1nsc(N2C[C@@H](NC(=O)c3cccc(C)c3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571261584 945429360 /nfs/dbraw/zinc/42/93/60/945429360.db2.gz GVYFRFKZKLRFRU-OLZOCXBDSA-N -1 1 385.453 0.920 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571262054 945432881 /nfs/dbraw/zinc/43/28/81/945432881.db2.gz MWNAAZZFAIKSTI-GHMZBOCLSA-N -1 1 385.457 0.745 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1NC(=O)Cc1cncs1 ZINC001571262325 945435877 /nfs/dbraw/zinc/43/58/77/945435877.db2.gz PCIALOZKMLEJLO-LBPRGKRZSA-N -1 1 385.457 0.687 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1NC(=O)Cc1cncs1 ZINC001571262325 945435883 /nfs/dbraw/zinc/43/58/83/945435883.db2.gz PCIALOZKMLEJLO-LBPRGKRZSA-N -1 1 385.457 0.687 20 0 GCADMM O=C(c1ccsn1)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263096 945449671 /nfs/dbraw/zinc/44/96/71/945449671.db2.gz HGVTWHMBNPKCPN-LLVKDONJSA-N -1 1 385.457 0.890 20 0 GCADMM Cc1nc(CC(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001571263341 945455366 /nfs/dbraw/zinc/45/53/66/945455366.db2.gz NHTTXIKADOKMSG-NSHDSACASA-N -1 1 385.457 0.925 20 0 GCADMM Cc1nc(CC(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001571263341 945455371 /nfs/dbraw/zinc/45/53/71/945455371.db2.gz NHTTXIKADOKMSG-NSHDSACASA-N -1 1 385.457 0.925 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1nccs1 ZINC001571263650 945462860 /nfs/dbraw/zinc/46/28/60/945462860.db2.gz VTRUUAODOUHRJY-QWRGUYRKSA-N -1 1 385.457 0.936 20 0 GCADMM C[C@@]1([C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)NC(=O)NC1=O ZINC000820607318 945499803 /nfs/dbraw/zinc/49/98/03/945499803.db2.gz QFKGGOBSYUPBCJ-AYVTZFPOSA-N -1 1 375.414 0.379 20 0 GCADMM C[C@@]1([C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)NC(=O)NC1=O ZINC000820607318 945499809 /nfs/dbraw/zinc/49/98/09/945499809.db2.gz QFKGGOBSYUPBCJ-AYVTZFPOSA-N -1 1 375.414 0.379 20 0 GCADMM C[C@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571265509 945510751 /nfs/dbraw/zinc/51/07/51/945510751.db2.gz LBYFAHDCPZWJKG-JOYOIKCWSA-N -1 1 385.819 0.700 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1F ZINC001571267274 945564896 /nfs/dbraw/zinc/56/48/96/945564896.db2.gz ONEZWSNPJGWMHG-MGCOHNPYSA-N -1 1 386.366 0.977 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571267827 945579001 /nfs/dbraw/zinc/57/90/01/945579001.db2.gz GCVOXVHJESWAJF-VXGBXAGGSA-N -1 1 386.416 0.177 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571267827 945579004 /nfs/dbraw/zinc/57/90/04/945579004.db2.gz GCVOXVHJESWAJF-VXGBXAGGSA-N -1 1 386.416 0.177 20 0 GCADMM COc1ncc(NC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1-c1nn[n-]n1 ZINC001571267885 945582296 /nfs/dbraw/zinc/58/22/96/945582296.db2.gz HMRQFRKTCCYALN-SNVBAGLBSA-N -1 1 386.416 0.793 20 0 GCADMM CC1(C)CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571268038 945586428 /nfs/dbraw/zinc/58/64/28/945586428.db2.gz LTEKFZFMZUTNRU-PWSUYJOCSA-N -1 1 386.416 0.259 20 0 GCADMM CC1(C)CN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571268038 945586433 /nfs/dbraw/zinc/58/64/33/945586433.db2.gz LTEKFZFMZUTNRU-PWSUYJOCSA-N -1 1 386.416 0.259 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1cnn(CCF)c1 ZINC001571268244 945592077 /nfs/dbraw/zinc/59/20/77/945592077.db2.gz PHWJEVMMIOTZFX-ZWNOBZJWSA-N -1 1 386.395 0.077 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1cnn(CCF)c1 ZINC001571268244 945592082 /nfs/dbraw/zinc/59/20/82/945592082.db2.gz PHWJEVMMIOTZFX-ZWNOBZJWSA-N -1 1 386.395 0.077 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1)c1nccnc1-c1nnn[n-]1 ZINC001571268465 945595360 /nfs/dbraw/zinc/59/53/60/945595360.db2.gz SRFJJPRDBGLYPP-JTQLQIEISA-N -1 1 386.395 0.508 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1)c1nccnc1-c1nn[n-]n1 ZINC001571268465 945595365 /nfs/dbraw/zinc/59/53/65/945595365.db2.gz SRFJJPRDBGLYPP-JTQLQIEISA-N -1 1 386.395 0.508 20 0 GCADMM CC(C)c1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)n(C)n1 ZINC001571268537 945597571 /nfs/dbraw/zinc/59/75/71/945597571.db2.gz GWNWJFWOUYUFKU-UHFFFAOYSA-N -1 1 386.420 0.536 20 0 GCADMM CC(C)c1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)n(C)n1 ZINC001571268537 945597576 /nfs/dbraw/zinc/59/75/76/945597576.db2.gz GWNWJFWOUYUFKU-UHFFFAOYSA-N -1 1 386.420 0.536 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571268683 945602350 /nfs/dbraw/zinc/60/23/50/945602350.db2.gz WMFORYDQYZWJNJ-WCQYABFASA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571268683 945602355 /nfs/dbraw/zinc/60/23/55/945602355.db2.gz WMFORYDQYZWJNJ-WCQYABFASA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571269161 945614301 /nfs/dbraw/zinc/61/43/01/945614301.db2.gz QUFOMXJUBUEYTB-NSHDSACASA-N -1 1 386.416 0.266 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571269161 945614307 /nfs/dbraw/zinc/61/43/07/945614307.db2.gz QUFOMXJUBUEYTB-NSHDSACASA-N -1 1 386.416 0.266 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1=COCCO1 ZINC001571269237 945615176 /nfs/dbraw/zinc/61/51/76/945615176.db2.gz STYWNSRSIUUZRG-RYUDHWBXSA-N -1 1 386.416 0.054 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571269377 945618755 /nfs/dbraw/zinc/61/87/55/945618755.db2.gz WYEJZFAJLCTHIW-UHFFFAOYSA-N -1 1 386.420 0.338 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571269377 945618759 /nfs/dbraw/zinc/61/87/59/945618759.db2.gz WYEJZFAJLCTHIW-UHFFFAOYSA-N -1 1 386.420 0.338 20 0 GCADMM Cc1nsc(N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)c1-c1nn[n-]n1 ZINC001571269651 945623506 /nfs/dbraw/zinc/62/35/06/945623506.db2.gz BOYIKWOHRNHNQR-UHFFFAOYSA-N -1 1 386.441 0.591 20 0 GCADMM Cc1csc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)c1 ZINC001571269720 945624728 /nfs/dbraw/zinc/62/47/28/945624728.db2.gz CQNRTAZPQDDYDT-QWRGUYRKSA-N -1 1 386.441 0.396 20 0 GCADMM C[C@@H](c1ccccc1)[C@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)C(N)=O ZINC001571270099 945631502 /nfs/dbraw/zinc/63/15/02/945631502.db2.gz NADNDWUNQOBRRE-ZANVPECISA-N -1 1 386.441 0.780 20 0 GCADMM C[C@@H](c1ccccc1)[C@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)C(N)=O ZINC001571270099 945631507 /nfs/dbraw/zinc/63/15/07/945631507.db2.gz NADNDWUNQOBRRE-ZANVPECISA-N -1 1 386.441 0.780 20 0 GCADMM CCCCn1c(N)c(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c(=O)[nH]c1=O ZINC000821083415 945631548 /nfs/dbraw/zinc/63/15/48/945631548.db2.gz YMDFBYWAPOWXJF-UHFFFAOYSA-N -1 1 390.429 0.849 20 0 GCADMM CCCCn1c(N)c(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c(=O)[nH]c1=O ZINC000821083415 945631554 /nfs/dbraw/zinc/63/15/54/945631554.db2.gz YMDFBYWAPOWXJF-UHFFFAOYSA-N -1 1 390.429 0.849 20 0 GCADMM Cc1nnsc1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571270314 945635547 /nfs/dbraw/zinc/63/55/47/945635547.db2.gz QCGFZIIWHNVDDD-UHFFFAOYSA-N -1 1 386.445 0.463 20 0 GCADMM Cc1nnsc1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571270314 945635551 /nfs/dbraw/zinc/63/55/51/945635551.db2.gz QCGFZIIWHNVDDD-UHFFFAOYSA-N -1 1 386.445 0.463 20 0 GCADMM COc1ccsc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571270509 945636771 /nfs/dbraw/zinc/63/67/71/945636771.db2.gz UIOPDPOISSXVCJ-VHSXEESVSA-N -1 1 386.441 0.864 20 0 GCADMM COc1ccsc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571270577 945638351 /nfs/dbraw/zinc/63/83/51/945638351.db2.gz VPDLLMRRCSYYNI-SNVBAGLBSA-N -1 1 386.441 0.983 20 0 GCADMM COc1ccsc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571270577 945638354 /nfs/dbraw/zinc/63/83/54/945638354.db2.gz VPDLLMRRCSYYNI-SNVBAGLBSA-N -1 1 386.441 0.983 20 0 GCADMM CCc1nnsc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571270639 945638437 /nfs/dbraw/zinc/63/84/37/945638437.db2.gz XJYMUUNIHAIONC-VIFPVBQESA-N -1 1 386.445 0.327 20 0 GCADMM CCc1nnsc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571270639 945638440 /nfs/dbraw/zinc/63/84/40/945638440.db2.gz XJYMUUNIHAIONC-VIFPVBQESA-N -1 1 386.445 0.327 20 0 GCADMM CCc1nnsc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571270594 945638491 /nfs/dbraw/zinc/63/84/91/945638491.db2.gz WEZZFANYXXOGAF-IUCAKERBSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571270594 945638494 /nfs/dbraw/zinc/63/84/94/945638494.db2.gz WEZZFANYXXOGAF-IUCAKERBSA-N -1 1 386.445 0.786 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)Cn3ccccc3=O)C2)c1-c1nn[n-]n1 ZINC001571270604 945638935 /nfs/dbraw/zinc/63/89/35/945638935.db2.gz WKXCQRCAEGLGDC-NSHDSACASA-N -1 1 386.441 0.188 20 0 GCADMM COc1ncccc1C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571270677 945640717 /nfs/dbraw/zinc/64/07/17/945640717.db2.gz YNTZZAVYJCIRLT-UHFFFAOYSA-N -1 1 386.441 0.998 20 0 GCADMM COC1CCC(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272186 945656651 /nfs/dbraw/zinc/65/66/51/945656651.db2.gz APEYKUGXLFWTRI-DUPPUEJBSA-N -1 1 386.460 0.591 20 0 GCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)n1 ZINC001571272239 945657694 /nfs/dbraw/zinc/65/76/94/945657694.db2.gz BQTJSPOSOXGWKV-HZSPNIEDSA-N -1 1 386.460 0.601 20 0 GCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)n1 ZINC001571272239 945657698 /nfs/dbraw/zinc/65/76/98/945657698.db2.gz BQTJSPOSOXGWKV-HZSPNIEDSA-N -1 1 386.460 0.601 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001571272376 945662389 /nfs/dbraw/zinc/66/23/89/945662389.db2.gz CHKUOOHBLRJUAT-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001571272376 945662396 /nfs/dbraw/zinc/66/23/96/945662396.db2.gz CHKUOOHBLRJUAT-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM COC1CCC(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571272441 945664379 /nfs/dbraw/zinc/66/43/79/945664379.db2.gz DVHPPYYLHZYBBF-HSBZDZAISA-N -1 1 386.460 0.804 20 0 GCADMM COC1CCC(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571272441 945664382 /nfs/dbraw/zinc/66/43/82/945664382.db2.gz DVHPPYYLHZYBBF-HSBZDZAISA-N -1 1 386.460 0.804 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)[C@]1(C)CCCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272671 945667884 /nfs/dbraw/zinc/66/78/84/945667884.db2.gz HNQBRXBYKYFAGZ-FZKQIMNGSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)[C@]1(C)CCCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272671 945667890 /nfs/dbraw/zinc/66/78/90/945667890.db2.gz HNQBRXBYKYFAGZ-FZKQIMNGSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCN(C(=O)COC2CCCC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571272811 945671643 /nfs/dbraw/zinc/67/16/43/945671643.db2.gz ITIJIAPGYQPQCO-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)COC3CCCC3)C2)n1 ZINC001571272864 945674224 /nfs/dbraw/zinc/67/42/24/945674224.db2.gz JQNKZRACGZRPOQ-ZDUSSCGKSA-N -1 1 386.460 0.961 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)COC3CCCC3)C2)n1 ZINC001571272864 945674228 /nfs/dbraw/zinc/67/42/28/945674228.db2.gz JQNKZRACGZRPOQ-ZDUSSCGKSA-N -1 1 386.460 0.961 20 0 GCADMM CO[C@H](C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1)C1CC1 ZINC001571272966 945674824 /nfs/dbraw/zinc/67/48/24/945674824.db2.gz LWYSOKRIJOSSHL-YVLXSGLVSA-N -1 1 386.460 0.897 20 0 GCADMM CO[C@H](C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1)C1CC1 ZINC001571272966 945674829 /nfs/dbraw/zinc/67/48/29/945674829.db2.gz LWYSOKRIJOSSHL-YVLXSGLVSA-N -1 1 386.460 0.897 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)C[C@@H]3CCCOC3)CC2)n1 ZINC001571272959 945676265 /nfs/dbraw/zinc/67/62/65/945676265.db2.gz LSQSNHXWWZTOMM-AWEZNQCLSA-N -1 1 386.460 0.821 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)C[C@@H]3CCCOC3)CC2)n1 ZINC001571272959 945676270 /nfs/dbraw/zinc/67/62/70/945676270.db2.gz LSQSNHXWWZTOMM-AWEZNQCLSA-N -1 1 386.460 0.821 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571273037 945677885 /nfs/dbraw/zinc/67/78/85/945677885.db2.gz NQSDQBCQVAOBSP-CHWSQXEVSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571273037 945677888 /nfs/dbraw/zinc/67/78/88/945677888.db2.gz NQSDQBCQVAOBSP-CHWSQXEVSA-N -1 1 386.460 0.980 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(C)=O)CC3(CCOCC3)C2)n1 ZINC001571272999 945677995 /nfs/dbraw/zinc/67/79/95/945677995.db2.gz MNAGVNGHBAEPNL-ZDUSSCGKSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(C)=O)CC3(CCOCC3)C2)n1 ZINC001571272999 945678000 /nfs/dbraw/zinc/67/80/00/945678000.db2.gz MNAGVNGHBAEPNL-ZDUSSCGKSA-N -1 1 386.460 0.731 20 0 GCADMM O=C(C[C@@H]1CCOC1)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571273145 945679212 /nfs/dbraw/zinc/67/92/12/945679212.db2.gz QLEACKWWACEUDW-AWEZNQCLSA-N -1 1 386.460 0.546 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC001571273103 945680121 /nfs/dbraw/zinc/68/01/21/945680121.db2.gz PGKRRDWBRUMIIK-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571273200 945681899 /nfs/dbraw/zinc/68/18/99/945681899.db2.gz SLYVZXBUXKSGRC-FZKQIMNGSA-N -1 1 386.460 0.758 20 0 GCADMM CO[C@H]1CCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273358 945685904 /nfs/dbraw/zinc/68/59/04/945685904.db2.gz WCEQXSPUHHCRJM-ZFWWWQNUSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H]1CCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273358 945685913 /nfs/dbraw/zinc/68/59/13/945685913.db2.gz WCEQXSPUHHCRJM-ZFWWWQNUSA-N -1 1 386.460 0.899 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273331 945686699 /nfs/dbraw/zinc/68/66/99/945686699.db2.gz VPNXGVXVHWVTSX-OLZOCXBDSA-N -1 1 386.460 0.588 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273331 945686706 /nfs/dbraw/zinc/68/67/06/945686706.db2.gz VPNXGVXVHWVTSX-OLZOCXBDSA-N -1 1 386.460 0.588 20 0 GCADMM O=C(CC1CCOCC1)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273464 945687995 /nfs/dbraw/zinc/68/79/95/945687995.db2.gz XWJIYSMTDRSWHC-UONOGXRCSA-N -1 1 386.460 0.592 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC(C)(C)[C@H](C)O ZINC001571273467 945688397 /nfs/dbraw/zinc/68/83/97/945688397.db2.gz XWQXFDJMWRVRDY-LBPRGKRZSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC(C)(C)[C@H](C)O ZINC001571273467 945688405 /nfs/dbraw/zinc/68/84/05/945688405.db2.gz XWQXFDJMWRVRDY-LBPRGKRZSA-N -1 1 386.460 0.982 20 0 GCADMM CO[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCN(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001571273425 945688524 /nfs/dbraw/zinc/68/85/24/945688524.db2.gz XLGBUZTXZLCFHW-SCLBCKFNSA-N -1 1 386.460 0.819 20 0 GCADMM CO[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCN(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001571273425 945688532 /nfs/dbraw/zinc/68/85/32/945688532.db2.gz XLGBUZTXZLCFHW-SCLBCKFNSA-N -1 1 386.460 0.819 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ncc(F)cc1F ZINC001571274117 945691911 /nfs/dbraw/zinc/69/19/11/945691911.db2.gz BKKRVAYZAXFVIB-SCZZXKLOSA-N -1 1 387.354 0.467 20 0 GCADMM CC1(C)CC[C@@H](CC(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)OC1 ZINC001571275684 945712332 /nfs/dbraw/zinc/71/23/32/945712332.db2.gz AQGJCJSBCJSOMA-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@@H](CC(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)OC1 ZINC001571275684 945712337 /nfs/dbraw/zinc/71/23/37/945712337.db2.gz AQGJCJSBCJSOMA-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571275758 945714713 /nfs/dbraw/zinc/71/47/13/945714713.db2.gz BXHRHHRKSUBENZ-QWHCGFSZSA-N -1 1 386.460 0.402 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCCO1 ZINC001571275845 945716294 /nfs/dbraw/zinc/71/62/94/945716294.db2.gz DDSGRKSGYDWECJ-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCCO1 ZINC001571275845 945716299 /nfs/dbraw/zinc/71/62/99/945716299.db2.gz DDSGRKSGYDWECJ-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571275873 945718803 /nfs/dbraw/zinc/71/88/03/945718803.db2.gz DWCOZWAWVUWITN-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571275873 945718807 /nfs/dbraw/zinc/71/88/07/945718807.db2.gz DWCOZWAWVUWITN-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)C2(C)CCOCC2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571275942 945721129 /nfs/dbraw/zinc/72/11/29/945721129.db2.gz GGMGWTFCQUDOBR-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)C2(C)CCOCC2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571275942 945721140 /nfs/dbraw/zinc/72/11/40/945721140.db2.gz GGMGWTFCQUDOBR-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)C2(C)CCOCC2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571275945 945721647 /nfs/dbraw/zinc/72/16/47/945721647.db2.gz GGMGWTFCQUDOBR-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)C2(C)CCOCC2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571275945 945721651 /nfs/dbraw/zinc/72/16/51/945721651.db2.gz GGMGWTFCQUDOBR-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CCN(C(=O)[C@H]1CCCOCC1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571276072 945723504 /nfs/dbraw/zinc/72/35/04/945723504.db2.gz GVSOADYJDDELBN-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CCN(C(=O)[C@H]1CCCOCC1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571276072 945723510 /nfs/dbraw/zinc/72/35/10/945723510.db2.gz GVSOADYJDDELBN-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571276143 945726308 /nfs/dbraw/zinc/72/63/08/945726308.db2.gz HZKVJQDDGSSGBW-GUTXKFCHSA-N -1 1 386.460 0.804 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571276143 945726316 /nfs/dbraw/zinc/72/63/16/945726316.db2.gz HZKVJQDDGSSGBW-GUTXKFCHSA-N -1 1 386.460 0.804 20 0 GCADMM COC(=O)c1ccc(N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c(-c2nnn[n-]2)n1 ZINC001571277254 945740114 /nfs/dbraw/zinc/74/01/14/945740114.db2.gz NTSCCYRJNGOWLN-DYZYQPBXSA-N -1 1 387.400 0.763 20 0 GCADMM COC(=O)c1ccc(N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c(-c2nn[n-]n2)n1 ZINC001571277254 945740122 /nfs/dbraw/zinc/74/01/22/945740122.db2.gz NTSCCYRJNGOWLN-DYZYQPBXSA-N -1 1 387.400 0.763 20 0 GCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCCO1 ZINC001571278603 945755575 /nfs/dbraw/zinc/75/55/75/945755575.db2.gz PHYUBYDZCXTNRK-HZSPNIEDSA-N -1 1 386.460 0.723 20 0 GCADMM 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CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573453520 945860544 /nfs/dbraw/zinc/86/05/44/945860544.db2.gz LLTSTFQLVJCXBB-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573453520 945860551 /nfs/dbraw/zinc/86/05/51/945860551.db2.gz LLTSTFQLVJCXBB-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453517 945860963 /nfs/dbraw/zinc/86/09/63/945860963.db2.gz LKSKUWCCXNFSOX-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453517 945860980 /nfs/dbraw/zinc/86/09/80/945860980.db2.gz LKSKUWCCXNFSOX-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453808 945866180 /nfs/dbraw/zinc/86/61/80/945866180.db2.gz QRMWBBAPYSIDTH-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453808 945866194 /nfs/dbraw/zinc/86/61/94/945866194.db2.gz QRMWBBAPYSIDTH-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573453780 945866882 /nfs/dbraw/zinc/86/68/82/945866882.db2.gz QBWJFGXKRQBABY-GTNSWQLSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573453780 945866891 /nfs/dbraw/zinc/86/68/91/945866891.db2.gz QBWJFGXKRQBABY-GTNSWQLSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573454238 945871639 /nfs/dbraw/zinc/87/16/39/945871639.db2.gz VIRMNHSARNAPAH-GTNSWQLSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573454238 945871651 /nfs/dbraw/zinc/87/16/51/945871651.db2.gz VIRMNHSARNAPAH-GTNSWQLSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573455259 945879114 /nfs/dbraw/zinc/87/91/14/945879114.db2.gz AXUJXRFQPKANKU-JQWIXIFHSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573455259 945879128 /nfs/dbraw/zinc/87/91/28/945879128.db2.gz AXUJXRFQPKANKU-JQWIXIFHSA-N -1 1 387.448 0.220 20 0 GCADMM COc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000821831808 945879192 /nfs/dbraw/zinc/87/91/92/945879192.db2.gz NHCVTUJRBJOXOG-UHFFFAOYSA-N -1 1 399.415 0.210 20 0 GCADMM COc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000821831808 945879205 /nfs/dbraw/zinc/87/92/05/945879205.db2.gz NHCVTUJRBJOXOG-UHFFFAOYSA-N -1 1 399.415 0.210 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1cc(Cl)no1 ZINC001571283208 945881572 /nfs/dbraw/zinc/88/15/72/945881572.db2.gz BRNHVWWRHBWXNR-MRTMQBJTSA-N -1 1 387.791 0.838 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1cc(Cl)no1 ZINC001571283208 945881586 /nfs/dbraw/zinc/88/15/86/945881586.db2.gz BRNHVWWRHBWXNR-MRTMQBJTSA-N -1 1 387.791 0.838 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573455304 945881852 /nfs/dbraw/zinc/88/18/52/945881852.db2.gz CCLCPSADHJJAEP-UHFFFAOYSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573455304 945881863 /nfs/dbraw/zinc/88/18/63/945881863.db2.gz CCLCPSADHJJAEP-UHFFFAOYSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573455858 945888744 /nfs/dbraw/zinc/88/87/44/945888744.db2.gz HLTMDCXJVQNCPG-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573455858 945888755 /nfs/dbraw/zinc/88/87/55/945888755.db2.gz HLTMDCXJVQNCPG-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573456592 945894515 /nfs/dbraw/zinc/89/45/15/945894515.db2.gz MPNBCMKPOKRUCR-UHFFFAOYSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573456592 945894523 /nfs/dbraw/zinc/89/45/23/945894523.db2.gz MPNBCMKPOKRUCR-UHFFFAOYSA-N -1 1 387.448 0.364 20 0 GCADMM O=C(c1cc(Cl)no1)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571285063 945911651 /nfs/dbraw/zinc/91/16/51/945911651.db2.gz XTYCFKOLSOZAKY-DTORHVGOSA-N -1 1 387.791 0.507 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000822004118 945914187 /nfs/dbraw/zinc/91/41/87/945914187.db2.gz ARWXOYLAAISTOK-LBPRGKRZSA-N -1 1 387.444 0.631 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000822004117 945914353 /nfs/dbraw/zinc/91/43/53/945914353.db2.gz ARWXOYLAAISTOK-GFCCVEGCSA-N -1 1 387.444 0.631 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573460898 945919505 /nfs/dbraw/zinc/91/95/05/945919505.db2.gz NGPLEDGOALEUGC-ZYHUDNBSSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573460898 945919511 /nfs/dbraw/zinc/91/95/11/945919511.db2.gz NGPLEDGOALEUGC-ZYHUDNBSSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573460891 945920883 /nfs/dbraw/zinc/92/08/83/945920883.db2.gz NBCLMUIYSUVOMU-PWSUYJOCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573460891 945920893 /nfs/dbraw/zinc/92/08/93/945920893.db2.gz NBCLMUIYSUVOMU-PWSUYJOCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573461607 945922533 /nfs/dbraw/zinc/92/25/33/945922533.db2.gz QDTBZBNCSSDPFM-VHSXEESVSA-N -1 1 375.437 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573461607 945922539 /nfs/dbraw/zinc/92/25/39/945922539.db2.gz QDTBZBNCSSDPFM-VHSXEESVSA-N -1 1 375.437 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573461606 945923307 /nfs/dbraw/zinc/92/33/07/945923307.db2.gz QDTBZBNCSSDPFM-UWVGGRQHSA-N -1 1 375.437 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573461606 945923315 /nfs/dbraw/zinc/92/33/15/945923315.db2.gz QDTBZBNCSSDPFM-UWVGGRQHSA-N -1 1 375.437 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573461507 945923469 /nfs/dbraw/zinc/92/34/69/945923469.db2.gz PECSGJPPNJJLKQ-NXEZZACHSA-N -1 1 375.437 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573461507 945923482 /nfs/dbraw/zinc/92/34/82/945923482.db2.gz PECSGJPPNJJLKQ-NXEZZACHSA-N -1 1 375.437 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CCCCNc1nccnc1-c1nnn[n-]1 ZINC001573461569 945923722 /nfs/dbraw/zinc/92/37/22/945923722.db2.gz PJBBBUOCKUPMPA-NSHDSACASA-N -1 1 389.464 0.658 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CCCCNc1nccnc1-c1nn[n-]n1 ZINC001573461569 945923729 /nfs/dbraw/zinc/92/37/29/945923729.db2.gz PJBBBUOCKUPMPA-NSHDSACASA-N -1 1 389.464 0.658 20 0 GCADMM CO[C@H](C)C(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571285701 945925542 /nfs/dbraw/zinc/92/55/42/945925542.db2.gz LWCIHIFKXYGTNY-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM CO[C@H](C)C(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571285701 945925548 /nfs/dbraw/zinc/92/55/48/945925548.db2.gz LWCIHIFKXYGTNY-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573462071 945929890 /nfs/dbraw/zinc/92/98/90/945929890.db2.gz YDBAGRWZOVXNLD-YUMQZZPRSA-N -1 1 380.478 0.851 20 0 GCADMM Cn1cc(Cl)cc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571285842 945930769 /nfs/dbraw/zinc/93/07/69/945930769.db2.gz PNLYEAQFCPHXCJ-LLVKDONJSA-N -1 1 387.835 0.787 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573462210 945934667 /nfs/dbraw/zinc/93/46/67/945934667.db2.gz CJSITWBLPAALFS-LBPRGKRZSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573462210 945934674 /nfs/dbraw/zinc/93/46/74/945934674.db2.gz CJSITWBLPAALFS-LBPRGKRZSA-N -1 1 375.437 0.124 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc(C(F)F)ncn1 ZINC001571286087 945936572 /nfs/dbraw/zinc/93/65/72/945936572.db2.gz XGWUAOBOTSDCHF-QMMMGPOBSA-N -1 1 388.342 0.393 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc(C(F)F)ncn1 ZINC001571286087 945936583 /nfs/dbraw/zinc/93/65/83/945936583.db2.gz XGWUAOBOTSDCHF-QMMMGPOBSA-N -1 1 388.342 0.393 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573462405 945939730 /nfs/dbraw/zinc/93/97/30/945939730.db2.gz IJNJLGIWJISRRF-GFCCVEGCSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573462405 945939740 /nfs/dbraw/zinc/93/97/40/945939740.db2.gz IJNJLGIWJISRRF-GFCCVEGCSA-N -1 1 387.448 0.047 20 0 GCADMM O=C([C@H]1COCCO1)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571286192 945940513 /nfs/dbraw/zinc/94/05/13/945940513.db2.gz AJECJIGTPTYXKS-CQSZACIVSA-N -1 1 388.432 0.113 20 0 GCADMM O=C([C@H]1COCCO1)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571286192 945940522 /nfs/dbraw/zinc/94/05/22/945940522.db2.gz AJECJIGTPTYXKS-CQSZACIVSA-N -1 1 388.432 0.113 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCC1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573462360 945940594 /nfs/dbraw/zinc/94/05/94/945940594.db2.gz HKTUUJGOYDXEOF-UHFFFAOYSA-N -1 1 392.489 0.853 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001573462492 945941406 /nfs/dbraw/zinc/94/14/06/945941406.db2.gz KIDNLPWTXANAHR-ZYHUDNBSSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001573462492 945941410 /nfs/dbraw/zinc/94/14/10/945941410.db2.gz KIDNLPWTXANAHR-ZYHUDNBSSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573462480 945943114 /nfs/dbraw/zinc/94/31/14/945943114.db2.gz KEWJKNLNOJPVDT-LURJTMIESA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573462480 945943121 /nfs/dbraw/zinc/94/31/21/945943121.db2.gz KEWJKNLNOJPVDT-LURJTMIESA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573462896 945946942 /nfs/dbraw/zinc/94/69/42/945946942.db2.gz OGPUGBKVCGKYGJ-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573462896 945946945 /nfs/dbraw/zinc/94/69/45/945946945.db2.gz OGPUGBKVCGKYGJ-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@]12CN(C(=O)[C@]3(F)CCOC3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571286465 945948465 /nfs/dbraw/zinc/94/84/65/945948465.db2.gz IQLFLKMPTWIDQQ-NVGVWMPQSA-N -1 1 388.407 0.070 20 0 GCADMM C[C@]12CN(C(=O)[C@]3(F)CCOC3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571286465 945948474 /nfs/dbraw/zinc/94/84/74/945948474.db2.gz IQLFLKMPTWIDQQ-NVGVWMPQSA-N -1 1 388.407 0.070 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573463148 945948615 /nfs/dbraw/zinc/94/86/15/945948615.db2.gz RICGBRUVROTISW-UHFFFAOYSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573463148 945948623 /nfs/dbraw/zinc/94/86/23/945948623.db2.gz RICGBRUVROTISW-UHFFFAOYSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@H]1CCc2nc(NC(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)sc2C1 ZINC001571286534 945949410 /nfs/dbraw/zinc/94/94/10/945949410.db2.gz KFXBXXNMELKLQQ-ZETCQYMHSA-N -1 1 388.413 0.349 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573463139 945950245 /nfs/dbraw/zinc/95/02/45/945950245.db2.gz RDCHUHZITHEVGD-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573463139 945950249 /nfs/dbraw/zinc/95/02/49/945950249.db2.gz RDCHUHZITHEVGD-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 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/nfs/dbraw/zinc/95/88/34/945958834.db2.gz ZLHOBWMQEPMXPO-GFCCVEGCSA-N -1 1 387.448 0.047 20 0 GCADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)CC2OCCCO2)CC1 ZINC001571287000 945964968 /nfs/dbraw/zinc/96/49/68/945964968.db2.gz XRBUQUNSZFMIPA-UHFFFAOYSA-N -1 1 388.432 0.603 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)CC2OCCCO2)CC1 ZINC001571287000 945964974 /nfs/dbraw/zinc/96/49/74/945964974.db2.gz XRBUQUNSZFMIPA-UHFFFAOYSA-N -1 1 388.432 0.603 20 0 GCADMM O=C([C@@H]1COCCO1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571286975 945965191 /nfs/dbraw/zinc/96/51/91/945965191.db2.gz XBIMYEOEJMFEFY-OLZOCXBDSA-N -1 1 388.432 0.255 20 0 GCADMM O=C([C@@H]1COCCO1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571286975 945965197 /nfs/dbraw/zinc/96/51/97/945965197.db2.gz XBIMYEOEJMFEFY-OLZOCXBDSA-N -1 1 388.432 0.255 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573464287 945965746 /nfs/dbraw/zinc/96/57/46/945965746.db2.gz JQXCQVMOVOYHBT-UHFFFAOYSA-N -1 1 386.869 0.444 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573464287 945965753 /nfs/dbraw/zinc/96/57/53/945965753.db2.gz JQXCQVMOVOYHBT-UHFFFAOYSA-N -1 1 386.869 0.444 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001573464496 945966170 /nfs/dbraw/zinc/96/61/70/945966170.db2.gz KVZFBIKDFXRMDQ-VXGBXAGGSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001573464496 945966174 /nfs/dbraw/zinc/96/61/74/945966174.db2.gz KVZFBIKDFXRMDQ-VXGBXAGGSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573464955 945970899 /nfs/dbraw/zinc/97/08/99/945970899.db2.gz SDVCVUXUVDJICK-LURJTMIESA-N -1 1 386.869 0.808 20 0 GCADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC[C@H]1CC2CCC1CC2 ZINC001571289186 945998141 /nfs/dbraw/zinc/99/81/41/945998141.db2.gz WRCHOGNNTPEXJJ-HTAVTVPLSA-N -1 1 388.432 0.255 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C 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/nfs/dbraw/zinc/00/70/76/946007076.db2.gz UKBBCBAIVOLWHW-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CCn1nncc1C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289730 946014171 /nfs/dbraw/zinc/01/41/71/946014171.db2.gz LIIRHNCYQCGGCE-SNVBAGLBSA-N -1 1 388.461 0.642 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)nn1 ZINC001571289783 946016566 /nfs/dbraw/zinc/01/65/66/946016566.db2.gz MJKTUFUMBIWMNX-JTQLQIEISA-N -1 1 388.461 0.642 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@@H](C)n3cncn3)C2)c1-c1nn[n-]n1 ZINC001571289755 946017183 /nfs/dbraw/zinc/01/71/83/946017183.db2.gz LWTKMPKVNKCRHM-MNOVXSKESA-N -1 1 388.461 0.569 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)nn1 ZINC001571289784 946017252 /nfs/dbraw/zinc/01/72/52/946017252.db2.gz MJKTUFUMBIWMNX-SNVBAGLBSA-N -1 1 388.461 0.642 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCC2CCN(C(=O)COC)CC2)n1 ZINC001571289843 946021219 /nfs/dbraw/zinc/02/12/19/946021219.db2.gz NTRURCVHOFSRGF-UHFFFAOYSA-N -1 1 388.476 0.930 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCC2CCN(C(=O)COC)CC2)n1 ZINC001571289843 946021228 /nfs/dbraw/zinc/02/12/28/946021228.db2.gz NTRURCVHOFSRGF-UHFFFAOYSA-N -1 1 388.476 0.930 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001573470329 946022461 /nfs/dbraw/zinc/02/24/61/946022461.db2.gz CVPWEKYGWDJIIW-MWLCHTKSSA-N -1 1 392.489 0.805 20 0 GCADMM Cc1nsc(N(C)C[C@H]2CCCCN2C(=O)c2nc[nH]n2)c1-c1nn[n-]n1 ZINC001571289961 946023839 /nfs/dbraw/zinc/02/38/39/946023839.db2.gz QXTVBPZMLQEBGK-SNVBAGLBSA-N -1 1 388.461 0.881 20 0 GCADMM Cc1nsc(N(C)C2CCN(C(=O)Cn3cncn3)CC2)c1-c1nn[n-]n1 ZINC001571289971 946024048 /nfs/dbraw/zinc/02/40/48/946024048.db2.gz RFTJKLXLMAFABF-UHFFFAOYSA-N -1 1 388.461 0.351 20 0 GCADMM CCC(CC)C(=O)N1CCC(N(CCO)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571290018 946025557 /nfs/dbraw/zinc/02/55/57/946025557.db2.gz SQBCZETXUBCNKG-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CCC(CC)C(=O)N1CCC(N(CCO)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571290018 946025562 /nfs/dbraw/zinc/02/55/62/946025562.db2.gz SQBCZETXUBCNKG-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CCn1nncc1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001571290037 946026531 /nfs/dbraw/zinc/02/65/31/946026531.db2.gz TVAMAPKBSUVZFZ-PSASIEDQSA-N -1 1 388.461 0.498 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573470537 946026992 /nfs/dbraw/zinc/02/69/92/946026992.db2.gz GQHRIQADHCCJDK-JQWIXIFHSA-N -1 1 392.489 0.441 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573470656 946035055 /nfs/dbraw/zinc/03/50/55/946035055.db2.gz IJKXYUJHZIVFGW-WCQYABFASA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573470656 946035069 /nfs/dbraw/zinc/03/50/69/946035069.db2.gz IJKXYUJHZIVFGW-WCQYABFASA-N -1 1 387.448 0.140 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571290321 946039939 /nfs/dbraw/zinc/03/99/39/946039939.db2.gz ALMHPDSSIYVGDD-NSHDSACASA-N -1 1 388.823 0.610 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571290321 946039955 /nfs/dbraw/zinc/03/99/55/946039955.db2.gz ALMHPDSSIYVGDD-NSHDSACASA-N -1 1 388.823 0.610 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cn(C)nc2Cl)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571290417 946040479 /nfs/dbraw/zinc/04/04/79/946040479.db2.gz DJMDEAVTPYEDMJ-SCZZXKLOSA-N -1 1 388.823 0.441 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cn(C)nc2Cl)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571290417 946040490 /nfs/dbraw/zinc/04/04/90/946040490.db2.gz DJMDEAVTPYEDMJ-SCZZXKLOSA-N -1 1 388.823 0.441 20 0 GCADMM Cn1cc(Cl)c(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571290510 946044629 /nfs/dbraw/zinc/04/46/29/946044629.db2.gz HRNJAGWZLPJFTD-VIFPVBQESA-N -1 1 388.823 0.760 20 0 GCADMM Cn1cc(Cl)c(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571290510 946044641 /nfs/dbraw/zinc/04/46/41/946044641.db2.gz HRNJAGWZLPJFTD-VIFPVBQESA-N -1 1 388.823 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573471339 946047232 /nfs/dbraw/zinc/04/72/32/946047232.db2.gz NUQWZSLPKOVIGA-ZYHUDNBSSA-N -1 1 392.489 0.583 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(C)(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573471642 946051320 /nfs/dbraw/zinc/05/13/20/946051320.db2.gz PXJUXRNYBFTWCP-SNVBAGLBSA-N -1 1 392.489 0.949 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001571290776 946056457 /nfs/dbraw/zinc/05/64/57/946056457.db2.gz OLFWQIXIFAISKD-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001571290776 946056472 /nfs/dbraw/zinc/05/64/72/946056472.db2.gz OLFWQIXIFAISKD-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM Cn1nc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1Cl ZINC001571290824 946056542 /nfs/dbraw/zinc/05/65/42/946056542.db2.gz QCHSRPNGPZYVJD-OAHLLOKOSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1nc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1Cl ZINC001571290824 946056554 /nfs/dbraw/zinc/05/65/54/946056554.db2.gz QCHSRPNGPZYVJD-OAHLLOKOSA-N -1 1 388.823 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573472118 946059254 /nfs/dbraw/zinc/05/92/54/946059254.db2.gz SNOPXEUIEPVLKY-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573472118 946059269 /nfs/dbraw/zinc/05/92/69/946059269.db2.gz SNOPXEUIEPVLKY-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM Cn1cc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c(Cl)n1 ZINC001571290885 946059926 /nfs/dbraw/zinc/05/99/26/946059926.db2.gz SBBDHUGGBSHZFC-UHFFFAOYSA-N -1 1 388.823 0.442 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1cnn(C)c1Cl ZINC001571291012 946063766 /nfs/dbraw/zinc/06/37/66/946063766.db2.gz XXSSNZKSOWQPAE-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573472333 946063745 /nfs/dbraw/zinc/06/37/45/946063745.db2.gz VNHNHTNLDHUVSN-YPMHNXCESA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573472333 946063759 /nfs/dbraw/zinc/06/37/59/946063759.db2.gz VNHNHTNLDHUVSN-YPMHNXCESA-N -1 1 387.448 0.283 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1cnn(C)c1Cl ZINC001571291012 946063780 /nfs/dbraw/zinc/06/37/80/946063780.db2.gz XXSSNZKSOWQPAE-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001571293236 946099057 /nfs/dbraw/zinc/09/90/57/946099057.db2.gz BTYRMZSKQASRKY-LLVKDONJSA-N -1 1 389.445 0.882 20 0 GCADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001571293236 946099067 /nfs/dbraw/zinc/09/90/67/946099067.db2.gz BTYRMZSKQASRKY-LLVKDONJSA-N -1 1 389.445 0.882 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573475369 946100642 /nfs/dbraw/zinc/10/06/42/946100642.db2.gz SDQCQWZUTJVKBL-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573475369 946100646 /nfs/dbraw/zinc/10/06/46/946100646.db2.gz SDQCQWZUTJVKBL-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C2=COCCO2)c1-c1nn[n-]n1 ZINC001571293383 946104119 /nfs/dbraw/zinc/10/41/19/946104119.db2.gz GUWRYMMNAQNTMW-PHIMTYICSA-N -1 1 389.441 0.699 20 0 GCADMM CC[C@@H](F)C(=O)N1CC[C@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571293515 946109358 /nfs/dbraw/zinc/10/93/58/946109358.db2.gz KBICLJZCIMPSDQ-QWHCGFSZSA-N -1 1 389.439 0.128 20 0 GCADMM CC[C@@H](F)C(=O)N1CC[C@H](N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571293515 946109368 /nfs/dbraw/zinc/10/93/68/946109368.db2.gz KBICLJZCIMPSDQ-QWHCGFSZSA-N -1 1 389.439 0.128 20 0 GCADMM CC[C@@H](F)C(=O)N1CCN([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571293829 946118115 /nfs/dbraw/zinc/11/81/15/946118115.db2.gz SUISTENYRGIHTP-CHWSQXEVSA-N -1 1 389.439 0.128 20 0 GCADMM Cc1nsc(N2CCO[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)c1-c1nn[n-]n1 ZINC001571294081 946125535 /nfs/dbraw/zinc/12/55/35/946125535.db2.gz ABSBJLRSGWAPAI-RWMBFGLXSA-N -1 1 389.485 0.999 20 0 GCADMM Cn1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C(F)F)n1 ZINC001571294257 946130518 /nfs/dbraw/zinc/13/05/18/946130518.db2.gz CMUVFDQZYMEMON-QMMMGPOBSA-N -1 1 390.358 0.654 20 0 GCADMM Cn1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C(F)F)n1 ZINC001571294257 946130526 /nfs/dbraw/zinc/13/05/26/946130526.db2.gz CMUVFDQZYMEMON-QMMMGPOBSA-N -1 1 390.358 0.654 20 0 GCADMM O=C(c1cncnc1)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571294400 946133831 /nfs/dbraw/zinc/13/38/31/946133831.db2.gz DROJRHRGNCXGCQ-IUCAKERBSA-N -1 1 389.832 0.870 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573477378 946134582 /nfs/dbraw/zinc/13/45/82/946134582.db2.gz PJOVISBDCLXYOI-JHVJFKRDSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573477378 946134588 /nfs/dbraw/zinc/13/45/88/946134588.db2.gz PJOVISBDCLXYOI-JHVJFKRDSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573477386 946134725 /nfs/dbraw/zinc/13/47/25/946134725.db2.gz POMCBAFJMMBDBQ-ONGXEEELSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573477386 946134730 /nfs/dbraw/zinc/13/47/30/946134730.db2.gz POMCBAFJMMBDBQ-ONGXEEELSA-N -1 1 375.437 0.124 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccccc2)CC(F)F)n(C)c1=O ZINC000822600699 946136217 /nfs/dbraw/zinc/13/62/17/946136217.db2.gz PWUGLXGBLLAOKT-UHFFFAOYSA-N -1 1 377.355 0.536 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573477461 946136219 /nfs/dbraw/zinc/13/62/19/946136219.db2.gz RAHHBDWIFUDZLM-SVRRBLITSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573477461 946136227 /nfs/dbraw/zinc/13/62/27/946136227.db2.gz RAHHBDWIFUDZLM-SVRRBLITSA-N -1 1 384.853 0.196 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)n1 ZINC000822609866 946137944 /nfs/dbraw/zinc/13/79/44/946137944.db2.gz XMIGEHUJCXTTBZ-UHFFFAOYSA-N -1 1 375.437 0.713 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)n1 ZINC000822609866 946137951 /nfs/dbraw/zinc/13/79/51/946137951.db2.gz XMIGEHUJCXTTBZ-UHFFFAOYSA-N -1 1 375.437 0.713 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc(C(F)F)n[nH]1 ZINC001571294586 946139064 /nfs/dbraw/zinc/13/90/64/946139064.db2.gz JTLOBNFFPVDXTR-QMMMGPOBSA-N -1 1 390.358 0.716 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc(C(F)F)n[nH]1 ZINC001571294586 946139071 /nfs/dbraw/zinc/13/90/71/946139071.db2.gz JTLOBNFFPVDXTR-QMMMGPOBSA-N -1 1 390.358 0.716 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccn(C(F)F)n1 ZINC001571294593 946139444 /nfs/dbraw/zinc/13/94/44/946139444.db2.gz JXVMWLNDDIIYGT-VIFPVBQESA-N -1 1 390.358 0.647 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccn(C(F)F)n1 ZINC001571294593 946139446 /nfs/dbraw/zinc/13/94/46/946139446.db2.gz JXVMWLNDDIIYGT-VIFPVBQESA-N -1 1 390.358 0.647 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)n1 ZINC000822620185 946140698 /nfs/dbraw/zinc/14/06/98/946140698.db2.gz KPSAVGZHGIBSOF-UHFFFAOYSA-N -1 1 397.367 0.990 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)n1 ZINC000822620185 946140706 /nfs/dbraw/zinc/14/07/06/946140706.db2.gz KPSAVGZHGIBSOF-UHFFFAOYSA-N -1 1 397.367 0.990 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CC(N)=O)c1ccccc1Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001571294764 946142826 /nfs/dbraw/zinc/14/28/26/946142826.db2.gz LZQQOVUSSFGSKK-KWQFWETISA-N -1 1 389.807 0.406 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)CC(C)C ZINC001573477898 946144205 /nfs/dbraw/zinc/14/42/05/946144205.db2.gz VBFJFVUKJAOQSL-DGCLKSJQSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)CC(C)C ZINC001573477898 946144210 /nfs/dbraw/zinc/14/42/10/946144210.db2.gz VBFJFVUKJAOQSL-DGCLKSJQSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001573478250 946146088 /nfs/dbraw/zinc/14/60/88/946146088.db2.gz WEHHVWMBFLBEBX-KOLCDFICSA-N -1 1 392.489 0.487 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573478518 946147909 /nfs/dbraw/zinc/14/79/09/946147909.db2.gz XAOYYYJZBZJPKK-ZWNOBZJWSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573478518 946147914 /nfs/dbraw/zinc/14/79/14/946147914.db2.gz XAOYYYJZBZJPKK-ZWNOBZJWSA-N -1 1 389.464 0.433 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(Cl)no1 ZINC001571294885 946148083 /nfs/dbraw/zinc/14/80/83/946148083.db2.gz PDHUFYYSWLPHDX-VIFPVBQESA-N -1 1 389.807 0.945 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(Cl)no1 ZINC001571294885 946148090 /nfs/dbraw/zinc/14/80/90/946148090.db2.gz PDHUFYYSWLPHDX-VIFPVBQESA-N -1 1 389.807 0.945 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1nc(Cl)cs1 ZINC001571294974 946149364 /nfs/dbraw/zinc/14/93/64/946149364.db2.gz RGWFPWKKLCWNFR-IIDWOEFGSA-N -1 1 389.832 0.631 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1nc(Cl)cs1 ZINC001571294974 946149371 /nfs/dbraw/zinc/14/93/71/946149371.db2.gz RGWFPWKKLCWNFR-IIDWOEFGSA-N -1 1 389.832 0.631 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571294941 946150858 /nfs/dbraw/zinc/15/08/58/946150858.db2.gz QMMBDZDVRJFDPH-SNVBAGLBSA-N -1 1 390.358 0.965 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571294941 946150864 /nfs/dbraw/zinc/15/08/64/946150864.db2.gz QMMBDZDVRJFDPH-SNVBAGLBSA-N -1 1 390.358 0.965 20 0 GCADMM C[C@]12CN(C(=O)[C@H]3C[C@@H]3C(F)F)C[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571295001 946151085 /nfs/dbraw/zinc/15/10/85/946151085.db2.gz RTHAXQDIROBLHS-GKQUOAKQSA-N -1 1 390.398 0.843 20 0 GCADMM C[C@]12CN(C(=O)[C@H]3C[C@@H]3C(F)F)C[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571295001 946151088 /nfs/dbraw/zinc/15/10/88/946151088.db2.gz RTHAXQDIROBLHS-GKQUOAKQSA-N -1 1 390.398 0.843 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccc(Cl)[nH]1 ZINC001571295185 946157545 /nfs/dbraw/zinc/15/75/45/946157545.db2.gz VJOLDFKZHQMVQJ-LDYMZIIASA-N -1 1 389.807 0.008 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccc(Cl)[nH]1 ZINC001571295185 946157548 /nfs/dbraw/zinc/15/75/48/946157548.db2.gz VJOLDFKZHQMVQJ-LDYMZIIASA-N -1 1 389.807 0.008 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001571295335 946158804 /nfs/dbraw/zinc/15/88/04/946158804.db2.gz YAPSIVAPMOQVBR-SFYZADRCSA-N -1 1 390.358 0.454 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001571295334 946159454 /nfs/dbraw/zinc/15/94/54/946159454.db2.gz YAPSIVAPMOQVBR-JGVFFNPUSA-N -1 1 390.358 0.454 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001571295336 946161987 /nfs/dbraw/zinc/16/19/87/946161987.db2.gz YAPSIVAPMOQVBR-YUMQZZPRSA-N -1 1 390.358 0.454 20 0 GCADMM C[C@H](Cc1ccsc1)NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571295736 946173871 /nfs/dbraw/zinc/17/38/71/946173871.db2.gz DKUREXOIFMBSGG-SECBINFHSA-N -1 1 390.429 0.121 20 0 GCADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571295809 946175352 /nfs/dbraw/zinc/17/53/52/946175352.db2.gz GJJBKSVGGDELOP-MRBYEJRBSA-N -1 1 390.398 0.985 20 0 GCADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571295809 946175361 /nfs/dbraw/zinc/17/53/61/946175361.db2.gz GJJBKSVGGDELOP-MRBYEJRBSA-N -1 1 390.398 0.985 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC001571295821 946177290 /nfs/dbraw/zinc/17/72/90/946177290.db2.gz GSZRXLYEYDKOTI-NSHDSACASA-N -1 1 390.400 0.458 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC001571295831 946177646 /nfs/dbraw/zinc/17/76/46/946177646.db2.gz HCTLUQOMTZBBIM-KRWDZBQOSA-N -1 1 390.400 0.506 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295844 946177819 /nfs/dbraw/zinc/17/78/19/946177819.db2.gz HLQAMLNMVMHAOG-INIZCTEOSA-N -1 1 390.423 0.826 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295844 946177834 /nfs/dbraw/zinc/17/78/34/946177834.db2.gz HLQAMLNMVMHAOG-INIZCTEOSA-N -1 1 390.423 0.826 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)C3(F)CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571295818 946177883 /nfs/dbraw/zinc/17/78/83/946177883.db2.gz GPWRSOSWDRQWCP-NSHDSACASA-N -1 1 390.423 0.751 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)C3(F)CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571295818 946177891 /nfs/dbraw/zinc/17/78/91/946177891.db2.gz GPWRSOSWDRQWCP-NSHDSACASA-N -1 1 390.423 0.751 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573481071 946180756 /nfs/dbraw/zinc/18/07/56/946180756.db2.gz NTUAHALBFYOSMD-GXFFZTMASA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573481071 946180761 /nfs/dbraw/zinc/18/07/61/946180761.db2.gz NTUAHALBFYOSMD-GXFFZTMASA-N -1 1 375.437 0.042 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571296015 946181444 /nfs/dbraw/zinc/18/14/44/946181444.db2.gz MBLSJCHGOSQBSP-NEPJUHHUSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571296015 946181450 /nfs/dbraw/zinc/18/14/50/946181450.db2.gz MBLSJCHGOSQBSP-NEPJUHHUSA-N -1 1 390.423 0.649 20 0 GCADMM CC(C)(C)c1ncsc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571296153 946187729 /nfs/dbraw/zinc/18/77/29/946187729.db2.gz PCDBRBQEYWVRIX-UHFFFAOYSA-N -1 1 390.429 0.313 20 0 GCADMM COc1cn(C)nc1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001571296351 946191302 /nfs/dbraw/zinc/19/13/02/946191302.db2.gz VLRDRZAUFVGVES-SSDOTTSWSA-N -1 1 390.429 0.922 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001571296446 946194680 /nfs/dbraw/zinc/19/46/80/946194680.db2.gz YGEBPYCIXNLANT-PIGZYNQJSA-N -1 1 390.423 0.506 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001571296446 946194689 /nfs/dbraw/zinc/19/46/89/946194689.db2.gz YGEBPYCIXNLANT-PIGZYNQJSA-N -1 1 390.423 0.506 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@H](NC(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571296426 946194757 /nfs/dbraw/zinc/19/47/57/946194757.db2.gz XMMKNNKBDAWPJX-PSTGCABASA-N -1 1 390.423 0.933 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@H](NC(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571296426 946194766 /nfs/dbraw/zinc/19/47/66/946194766.db2.gz XMMKNNKBDAWPJX-PSTGCABASA-N -1 1 390.423 0.933 20 0 GCADMM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571297828 946198879 /nfs/dbraw/zinc/19/88/79/946198879.db2.gz ANEDVDJWXBCHTF-MUYACECFSA-N -1 1 390.469 0.138 20 0 GCADMM Cc1nsc(N[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571297926 946200414 /nfs/dbraw/zinc/20/04/14/946200414.db2.gz DNCQRXTVPGGRCV-FBIMIBRVSA-N -1 1 390.473 0.417 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573482862 946204340 /nfs/dbraw/zinc/20/43/40/946204340.db2.gz AXMSRMQPAFUACK-LSJOCFKGSA-N -1 1 378.462 0.463 20 0 GCADMM CS[C@H](C)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571297995 946204400 /nfs/dbraw/zinc/20/44/00/946204400.db2.gz GOHDQWZMDHTEOJ-BZNIZROVSA-N -1 1 390.473 0.216 20 0 GCADMM CS[C@H](C)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571297995 946204410 /nfs/dbraw/zinc/20/44/10/946204410.db2.gz GOHDQWZMDHTEOJ-BZNIZROVSA-N -1 1 390.473 0.216 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573483364 946208749 /nfs/dbraw/zinc/20/87/49/946208749.db2.gz FCFASVKXLFBCRR-CMPLNLGQSA-N -1 1 392.489 0.489 20 0 GCADMM O=C(C1Cc2ccccc2C1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298381 946213369 /nfs/dbraw/zinc/21/33/69/946213369.db2.gz FXQATEIVOZVSIA-MRXNPFEDSA-N -1 1 390.451 0.897 20 0 GCADMM Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC001571298416 946216211 /nfs/dbraw/zinc/21/62/11/946216211.db2.gz NJVVQNGDLWYMJY-AXFHLTTASA-N -1 1 390.473 0.546 20 0 GCADMM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001571298430 946216243 /nfs/dbraw/zinc/21/62/43/946216243.db2.gz NTJHDYVRIKHQHC-VZJVUDMVSA-N -1 1 390.469 0.280 20 0 GCADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC001571298417 946216275 /nfs/dbraw/zinc/21/62/75/946216275.db2.gz NJVVQNGDLWYMJY-MXWKQRLJSA-N -1 1 390.473 0.546 20 0 GCADMM Cc1nsc(NCC2CC(NC(=O)[C@H]3CCC(=O)N3C)C2)c1-c1nn[n-]n1 ZINC001571298422 946216625 /nfs/dbraw/zinc/21/66/25/946216625.db2.gz NORHMYDDHWNWAX-VQXHTEKXSA-N -1 1 390.473 0.559 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001571298600 946220697 /nfs/dbraw/zinc/22/06/97/946220697.db2.gz HIOFBQQCELGULD-WBMJQRKESA-N -1 1 390.451 0.895 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573485394 946223693 /nfs/dbraw/zinc/22/36/93/946223693.db2.gz RZZMPGFZWDTHLK-GFCCVEGCSA-N -1 1 389.464 0.211 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573485394 946223706 /nfs/dbraw/zinc/22/37/06/946223706.db2.gz RZZMPGFZWDTHLK-GFCCVEGCSA-N -1 1 389.464 0.211 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1occc1Cl ZINC001571298805 946229495 /nfs/dbraw/zinc/22/94/95/946229495.db2.gz DREVYFPUKITMJK-MWLCHTKSSA-N -1 1 390.791 0.273 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1occc1Cl ZINC001571298805 946229502 /nfs/dbraw/zinc/22/95/02/946229502.db2.gz DREVYFPUKITMJK-MWLCHTKSSA-N -1 1 390.791 0.273 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573485678 946229931 /nfs/dbraw/zinc/22/99/31/946229931.db2.gz XEWOCJZQDXZYIQ-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573485678 946229943 /nfs/dbraw/zinc/22/99/43/946229943.db2.gz XEWOCJZQDXZYIQ-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001571299064 946237247 /nfs/dbraw/zinc/23/72/47/946237247.db2.gz UEOTVBQBTRGXLW-GWCFXTLKSA-N -1 1 390.469 0.676 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573487440 946251193 /nfs/dbraw/zinc/25/11/93/946251193.db2.gz OBPYJEKSXQJBGS-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573487440 946251204 /nfs/dbraw/zinc/25/12/04/946251204.db2.gz OBPYJEKSXQJBGS-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC001571299879 946264307 /nfs/dbraw/zinc/26/43/07/946264307.db2.gz QDAJQGLWQMLULM-MRVPVSSYSA-N -1 1 390.791 0.926 20 0 GCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC001571299879 946264319 /nfs/dbraw/zinc/26/43/19/946264319.db2.gz QDAJQGLWQMLULM-MRVPVSSYSA-N -1 1 390.791 0.926 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488617 946268830 /nfs/dbraw/zinc/26/88/30/946268830.db2.gz GAYUPQXKXXQTMY-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488617 946268840 /nfs/dbraw/zinc/26/88/40/946268840.db2.gz GAYUPQXKXXQTMY-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCNc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573488795 946276710 /nfs/dbraw/zinc/27/67/10/946276710.db2.gz MIBJPFUTWCXUKG-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCNc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573488795 946276720 /nfs/dbraw/zinc/27/67/20/946276720.db2.gz MIBJPFUTWCXUKG-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573488958 946282496 /nfs/dbraw/zinc/28/24/96/946282496.db2.gz RGHZVSZXIGUVBF-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573488958 946282503 /nfs/dbraw/zinc/28/25/03/946282503.db2.gz RGHZVSZXIGUVBF-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571301760 946282864 /nfs/dbraw/zinc/28/28/64/946282864.db2.gz CFAJKRZCVWZLMI-SFYZADRCSA-N -1 1 391.342 0.577 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573488974 946283446 /nfs/dbraw/zinc/28/34/46/946283446.db2.gz RZBOJIPQWQVRQU-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573488974 946283455 /nfs/dbraw/zinc/28/34/55/946283455.db2.gz RZBOJIPQWQVRQU-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571301758 946283600 /nfs/dbraw/zinc/28/36/00/946283600.db2.gz CFAJKRZCVWZLMI-HTQZYQBOSA-N -1 1 391.342 0.577 20 0 GCADMM O=C(c1cc2c([nH]1)CCC2)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571302525 946304805 /nfs/dbraw/zinc/30/48/05/946304805.db2.gz ACZMURJJFQVVPC-BETUJISGSA-N -1 1 391.439 0.967 20 0 GCADMM O=C(c1cc2c([nH]1)CCC2)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571302525 946304819 /nfs/dbraw/zinc/30/48/19/946304819.db2.gz ACZMURJJFQVVPC-BETUJISGSA-N -1 1 391.439 0.967 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571302561 946307061 /nfs/dbraw/zinc/30/70/61/946307061.db2.gz BEZDGGNZYGFWKK-ZIAGYGMSSA-N -1 1 391.439 0.870 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571302561 946307074 /nfs/dbraw/zinc/30/70/74/946307074.db2.gz BEZDGGNZYGFWKK-ZIAGYGMSSA-N -1 1 391.439 0.870 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccn2)CC1 ZINC001571302598 946308245 /nfs/dbraw/zinc/30/82/45/946308245.db2.gz CKTMDBBGRIPEIY-CYBMUJFWSA-N -1 1 391.439 0.869 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccn2)CC1 ZINC001571302598 946308256 /nfs/dbraw/zinc/30/82/56/946308256.db2.gz CKTMDBBGRIPEIY-CYBMUJFWSA-N -1 1 391.439 0.869 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCc2cccnc21 ZINC001571302623 946310479 /nfs/dbraw/zinc/31/04/79/946310479.db2.gz CWXXLIIKZOTBAC-ZIAGYGMSSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCc2cccnc21 ZINC001571302623 946310492 /nfs/dbraw/zinc/31/04/92/946310492.db2.gz CWXXLIIKZOTBAC-ZIAGYGMSSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571302643 946311400 /nfs/dbraw/zinc/31/14/00/946311400.db2.gz DFQKJRIXSNQUHA-CABCVRRESA-N -1 1 391.439 0.864 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571302643 946311413 /nfs/dbraw/zinc/31/14/13/946311413.db2.gz DFQKJRIXSNQUHA-CABCVRRESA-N -1 1 391.439 0.864 20 0 GCADMM CC[C@@H](OC1CCCCC1)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571302774 946312479 /nfs/dbraw/zinc/31/24/79/946312479.db2.gz BVXSHYRDAAGUDC-CYBMUJFWSA-N -1 1 391.432 0.373 20 0 GCADMM CCc1ccnc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001571302740 946313227 /nfs/dbraw/zinc/31/32/27/946313227.db2.gz ALPHXEUECCVKCL-ZSOGYDGISA-N -1 1 391.439 0.726 20 0 GCADMM CCc1ccnc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571302740 946313234 /nfs/dbraw/zinc/31/32/34/946313234.db2.gz ALPHXEUECCVKCL-ZSOGYDGISA-N -1 1 391.439 0.726 20 0 GCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571302886 946319795 /nfs/dbraw/zinc/31/97/95/946319795.db2.gz IMTYYSZPYVLQTH-QLFBSQMISA-N -1 1 391.439 0.940 20 0 GCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571302886 946319809 /nfs/dbraw/zinc/31/98/09/946319809.db2.gz IMTYYSZPYVLQTH-QLFBSQMISA-N -1 1 391.439 0.940 20 0 GCADMM CN(C(=O)C1(c2cccnc2)CC1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571302978 946321315 /nfs/dbraw/zinc/32/13/15/946321315.db2.gz GMPJEHNBQOJTPA-AWEZNQCLSA-N -1 1 391.439 0.821 20 0 GCADMM CN(C(=O)C1(c2cccnc2)CC1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571302978 946321323 /nfs/dbraw/zinc/32/13/23/946321323.db2.gz GMPJEHNBQOJTPA-AWEZNQCLSA-N -1 1 391.439 0.821 20 0 GCADMM Cc1nc(C2CC2)ccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303273 946330623 /nfs/dbraw/zinc/33/06/23/946330623.db2.gz NDQNKFHXAUUGNB-ZDUSSCGKSA-N -1 1 391.439 0.986 20 0 GCADMM Cc1ncccc1CC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571303464 946335465 /nfs/dbraw/zinc/33/54/65/946335465.db2.gz RFWIPLMKVFSRKJ-GASCZTMLSA-N -1 1 391.439 0.497 20 0 GCADMM Cc1ncccc1CC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571303464 946335477 /nfs/dbraw/zinc/33/54/77/946335477.db2.gz RFWIPLMKVFSRKJ-GASCZTMLSA-N -1 1 391.439 0.497 20 0 GCADMM O=C(Cc1cccnc1)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571303455 946335503 /nfs/dbraw/zinc/33/55/03/946335503.db2.gz RCIQTUHWRTVIPV-AUUYWEPGSA-N -1 1 391.439 0.912 20 0 GCADMM O=C(N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1(c2cccnc2)CC1 ZINC001571303461 946336774 /nfs/dbraw/zinc/33/67/74/946336774.db2.gz RDROSWOBSHVFHH-CQSZACIVSA-N -1 1 391.439 0.608 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2cccnc2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303542 946338779 /nfs/dbraw/zinc/33/87/79/946338779.db2.gz NGEMXNWDYILEJP-IQUTYRLHSA-N -1 1 391.439 0.940 20 0 GCADMM C[C@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571303502 946339565 /nfs/dbraw/zinc/33/95/65/946339565.db2.gz MLPVEZGZAMIXJU-NHYWBVRUSA-N -1 1 391.439 0.924 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571303633 946341984 /nfs/dbraw/zinc/34/19/84/946341984.db2.gz USSRHWRZHQLTCW-SOUVJXGZSA-N -1 1 391.439 0.940 20 0 GCADMM CCC(CC)[C@@H]1C[C@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571303643 946342172 /nfs/dbraw/zinc/34/21/72/946342172.db2.gz OKJPZGKQKPFYIB-YPMHNXCESA-N -1 1 391.432 0.229 20 0 GCADMM Cc1nsc(N2C[C@@H](NC(=O)Cc3ccsc3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571305568 946367937 /nfs/dbraw/zinc/36/79/37/946367937.db2.gz FMQNWJSOMXISPV-MNOVXSKESA-N -1 1 391.482 0.602 20 0 GCADMM Cc1nsc(N2CC[C@@H]3CN(C(=O)[C@H](O)C(C)C)C[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571305871 946379392 /nfs/dbraw/zinc/37/93/92/946379392.db2.gz MMJIEMBHSXBYLL-MBNYWOFBSA-N -1 1 391.501 0.933 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573501456 946379413 /nfs/dbraw/zinc/37/94/13/946379413.db2.gz OVTQDVIIAUNRNO-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573501456 946379424 /nfs/dbraw/zinc/37/94/24/946379424.db2.gz OVTQDVIIAUNRNO-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305902 946379727 /nfs/dbraw/zinc/37/97/27/946379727.db2.gz CYVGHNFSHFESTF-YTWAJWBKSA-N -1 1 391.457 0.747 20 0 GCADMM C[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571306079 946387227 /nfs/dbraw/zinc/38/72/27/946387227.db2.gz PDISTEMRJYSYIZ-HTQZYQBOSA-N -1 1 391.848 0.761 20 0 GCADMM O=C(Cc1ncc[nH]1)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001571306209 946390192 /nfs/dbraw/zinc/39/01/92/946390192.db2.gz QSWCOVZJVMRUTN-YUMQZZPRSA-N -1 1 391.848 0.732 20 0 GCADMM O=C(Cc1ncc[nH]1)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001571306209 946390201 /nfs/dbraw/zinc/39/02/01/946390201.db2.gz QSWCOVZJVMRUTN-YUMQZZPRSA-N -1 1 391.848 0.732 20 0 GCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001571306609 946404342 /nfs/dbraw/zinc/40/43/42/946404342.db2.gz MEVMCYPYEUVEKS-LBPRGKRZSA-N -1 1 391.457 0.461 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573504609 946410902 /nfs/dbraw/zinc/41/09/02/946410902.db2.gz HTWDCVWETQROJZ-HZMBPMFUSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573504609 946410906 /nfs/dbraw/zinc/41/09/06/946410906.db2.gz HTWDCVWETQROJZ-HZMBPMFUSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573504817 946415669 /nfs/dbraw/zinc/41/56/69/946415669.db2.gz KTTRIXBQGVSRLD-LLVKDONJSA-N -1 1 378.462 0.052 20 0 GCADMM CC(=O)NCC(=O)N1CCC(CN(C)c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573506311 946430988 /nfs/dbraw/zinc/43/09/88/946430988.db2.gz QSFZFERDOSXZSL-UHFFFAOYSA-N -1 1 392.489 0.443 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573506376 946432804 /nfs/dbraw/zinc/43/28/04/946432804.db2.gz QFRXQGHEJZJLGU-BXUZGUMPSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573506376 946432808 /nfs/dbraw/zinc/43/28/08/946432808.db2.gz QFRXQGHEJZJLGU-BXUZGUMPSA-N -1 1 387.448 0.222 20 0 GCADMM O=C([C@H]1Cc2ccc(F)cc21)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571308731 946435609 /nfs/dbraw/zinc/43/56/09/946435609.db2.gz SNVXCEAGZXBIQC-YDHLFZDLSA-N -1 1 392.398 0.925 20 0 GCADMM O=C([C@H]1Cc2ccc(F)cc21)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571308731 946435614 /nfs/dbraw/zinc/43/56/14/946435614.db2.gz SNVXCEAGZXBIQC-YDHLFZDLSA-N -1 1 392.398 0.925 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573507455 946446030 /nfs/dbraw/zinc/44/60/30/946446030.db2.gz YAQJBEXGZZFGBF-JOYOIKCWSA-N -1 1 392.489 0.664 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309550 946446754 /nfs/dbraw/zinc/44/67/54/946446754.db2.gz DCWPQOONQCJVKH-FZMZJTMJSA-N -1 1 392.423 0.729 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573507662 946446997 /nfs/dbraw/zinc/44/69/97/946446997.db2.gz WJOCRACCUBHSAH-MRVPVSSYSA-N -1 1 384.853 0.516 20 0 GCADMM Cc1cccc2c1O[C@@H](C(=O)N1CCN(c3nccnc3-c3nnn[n-]3)CC1)C2 ZINC001571309573 946448354 /nfs/dbraw/zinc/44/83/54/946448354.db2.gz DMOZVKCFEFDPGV-CQSZACIVSA-N -1 1 392.423 0.617 20 0 GCADMM Cc1cccc2c1O[C@@H](C(=O)N1CCN(c3nccnc3-c3nn[n-]n3)CC1)C2 ZINC001571309573 946448364 /nfs/dbraw/zinc/44/83/64/946448364.db2.gz DMOZVKCFEFDPGV-CQSZACIVSA-N -1 1 392.423 0.617 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCc2ccccc2O1 ZINC001571309718 946450740 /nfs/dbraw/zinc/45/07/40/946450740.db2.gz INOCOAKLMKZEBA-CJNGLKHVSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2ccccc2O1 ZINC001571309718 946450746 /nfs/dbraw/zinc/45/07/46/946450746.db2.gz INOCOAKLMKZEBA-CJNGLKHVSA-N -1 1 392.423 0.745 20 0 GCADMM C[C@H]1Cc2cc(C(=O)N3CCN(c4cncc(-c5nnn[n-]5)n4)CC3)ccc2O1 ZINC001571309682 946451571 /nfs/dbraw/zinc/45/15/71/946451571.db2.gz HQADMMRFSQXFFD-LBPRGKRZSA-N -1 1 392.423 0.943 20 0 GCADMM C[C@H]1Cc2cc(C(=O)N3CCN(c4cncc(-c5nn[n-]n5)n4)CC3)ccc2O1 ZINC001571309682 946451577 /nfs/dbraw/zinc/45/15/77/946451577.db2.gz HQADMMRFSQXFFD-LBPRGKRZSA-N -1 1 392.423 0.943 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573508234 946452192 /nfs/dbraw/zinc/45/21/92/946452192.db2.gz YTHAPGMDKGBITK-CABZTGNLSA-N -1 1 392.489 0.807 20 0 GCADMM O=C([C@H]1CCOc2ccccc21)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571309744 946453476 /nfs/dbraw/zinc/45/34/76/946453476.db2.gz JHAZNWZPBWUJID-AWEZNQCLSA-N -1 1 392.423 0.872 20 0 GCADMM O=C([C@H]1CCOc2ccccc21)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571309744 946453482 /nfs/dbraw/zinc/45/34/82/946453482.db2.gz JHAZNWZPBWUJID-AWEZNQCLSA-N -1 1 392.423 0.872 20 0 GCADMM CCOc1ccccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571309860 946454620 /nfs/dbraw/zinc/45/46/20/946454620.db2.gz NAVOJUKGZSZNRF-LAQFHYBYSA-N -1 1 392.423 0.920 20 0 GCADMM CCOc1ccccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571309860 946454628 /nfs/dbraw/zinc/45/46/28/946454628.db2.gz NAVOJUKGZSZNRF-LAQFHYBYSA-N -1 1 392.423 0.920 20 0 GCADMM Cc1cccc2c1O[C@H](C(=O)N[C@@H]1CCN(c3ccnc(-c4nn[n-]n4)n3)C1)C2 ZINC001571309934 946456659 /nfs/dbraw/zinc/45/66/59/946456659.db2.gz PUSJGBZFZVBVGM-KGLIPLIRSA-N -1 1 392.423 0.664 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571309886 946457455 /nfs/dbraw/zinc/45/74/55/946457455.db2.gz NZMJGXHEJMDFPA-LBPRGKRZSA-N -1 1 392.423 0.943 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571309886 946457459 /nfs/dbraw/zinc/45/74/59/946457459.db2.gz NZMJGXHEJMDFPA-LBPRGKRZSA-N -1 1 392.423 0.943 20 0 GCADMM O=C([C@H]1CCc2ccccc2O1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571310040 946459085 /nfs/dbraw/zinc/45/90/85/946459085.db2.gz SSDFXEGFEXSVKS-MRXNPFEDSA-N -1 1 392.423 0.699 20 0 GCADMM O=C([C@H]1CCc2ccccc2O1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571310040 946459088 /nfs/dbraw/zinc/45/90/88/946459088.db2.gz SSDFXEGFEXSVKS-MRXNPFEDSA-N -1 1 392.423 0.699 20 0 GCADMM O=C([C@@H]1COc2ccccc2C1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571309971 946459627 /nfs/dbraw/zinc/45/96/27/946459627.db2.gz QVARQLVLEBZFEJ-KBPBESRZSA-N -1 1 392.423 0.921 20 0 GCADMM O=C([C@@H]1COc2ccccc2C1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571309971 946459635 /nfs/dbraw/zinc/45/96/35/946459635.db2.gz QVARQLVLEBZFEJ-KBPBESRZSA-N -1 1 392.423 0.921 20 0 GCADMM O=C([C@@H]1CCc2ccccc2O1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571310039 946459953 /nfs/dbraw/zinc/45/99/53/946459953.db2.gz SSDFXEGFEXSVKS-INIZCTEOSA-N -1 1 392.423 0.699 20 0 GCADMM O=C([C@@H]1CCc2ccccc2O1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571310039 946459957 /nfs/dbraw/zinc/45/99/57/946459957.db2.gz SSDFXEGFEXSVKS-INIZCTEOSA-N -1 1 392.423 0.699 20 0 GCADMM O=C(NCc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1)[C@]12C[C@H]1COC2 ZINC001571310146 946463714 /nfs/dbraw/zinc/46/37/14/946463714.db2.gz WRVOHNLHIROTFW-LIRRHRJNSA-N -1 1 392.423 0.922 20 0 GCADMM O=C(NCc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1)[C@]12C[C@H]1COC2 ZINC001571310146 946463724 /nfs/dbraw/zinc/46/37/24/946463724.db2.gz WRVOHNLHIROTFW-LIRRHRJNSA-N -1 1 392.423 0.922 20 0 GCADMM O=C([C@@H]1Cc2ccccc21)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310216 946466346 /nfs/dbraw/zinc/46/63/46/946466346.db2.gz YPLJXKQPEZBGGB-UKRRQHHQSA-N -1 1 392.423 0.636 20 0 GCADMM O=C([C@@H]1Cc2ccccc21)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310216 946466357 /nfs/dbraw/zinc/46/63/57/946466357.db2.gz YPLJXKQPEZBGGB-UKRRQHHQSA-N -1 1 392.423 0.636 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571310226 946466489 /nfs/dbraw/zinc/46/64/89/946466489.db2.gz ZDEKLOOLQOSDKN-BXUZGUMPSA-N -1 1 392.423 0.586 20 0 GCADMM COc1cccc(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001571310251 946467124 /nfs/dbraw/zinc/46/71/24/946467124.db2.gz ZRJHHLNUZCYYIV-QKDCVEJESA-N -1 1 392.423 0.778 20 0 GCADMM COc1cccc(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001571310251 946467132 /nfs/dbraw/zinc/46/71/32/946467132.db2.gz ZRJHHLNUZCYYIV-QKDCVEJESA-N -1 1 392.423 0.778 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573510086 946471086 /nfs/dbraw/zinc/47/10/86/946471086.db2.gz YNVRSHVXFWFZDX-GFCCVEGCSA-N -1 1 392.489 0.585 20 0 GCADMM O=C(c1cnn2c1CCC2)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571310586 946475284 /nfs/dbraw/zinc/47/52/84/946475284.db2.gz JVLXAZYBXWZWGA-TXEJJXNPSA-N -1 1 392.427 0.008 20 0 GCADMM O=C(c1cnn2c1CCC2)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571310586 946475297 /nfs/dbraw/zinc/47/52/97/946475297.db2.gz JVLXAZYBXWZWGA-TXEJJXNPSA-N -1 1 392.427 0.008 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573510355 946476795 /nfs/dbraw/zinc/47/67/95/946476795.db2.gz FWVDGVRZZDBACB-MRVPVSSYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573510355 946476798 /nfs/dbraw/zinc/47/67/98/946476798.db2.gz FWVDGVRZZDBACB-MRVPVSSYSA-N -1 1 384.853 0.419 20 0 GCADMM O=C(c1cncnc1C1CC1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571311039 946480712 /nfs/dbraw/zinc/48/07/12/946480712.db2.gz QLUGHXJYGCJQGK-GFCCVEGCSA-N -1 1 392.427 0.463 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571312413 946491263 /nfs/dbraw/zinc/49/12/63/946491263.db2.gz CFSLPCJFUUUZNP-OLZOCXBDSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@@H]21 ZINC001571312544 946494746 /nfs/dbraw/zinc/49/47/46/946494746.db2.gz HCXNEKBLIAHPNS-OCCSQVGLSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@@H]21 ZINC001571312544 946494750 /nfs/dbraw/zinc/49/47/50/946494750.db2.gz HCXNEKBLIAHPNS-OCCSQVGLSA-N -1 1 392.427 0.578 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571312626 946498462 /nfs/dbraw/zinc/49/84/62/946498462.db2.gz JESJIRMNDSGREQ-OLZOCXBDSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571312626 946498471 /nfs/dbraw/zinc/49/84/71/946498471.db2.gz JESJIRMNDSGREQ-OLZOCXBDSA-N -1 1 392.427 0.908 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC001571313089 946510267 /nfs/dbraw/zinc/51/02/67/946510267.db2.gz NKKOSTYPMFRMBT-SWLSCSKDSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC001571313089 946510280 /nfs/dbraw/zinc/51/02/80/946510280.db2.gz NKKOSTYPMFRMBT-SWLSCSKDSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCOC2 ZINC001571313061 946511024 /nfs/dbraw/zinc/51/10/24/946511024.db2.gz MQUSKWKCCZXJBC-SHTZXODSSA-N -1 1 392.423 0.524 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(C)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573513698 946512132 /nfs/dbraw/zinc/51/21/32/946512132.db2.gz PJMMRFOKFBHQNP-CYBMUJFWSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(C)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573513698 946512139 /nfs/dbraw/zinc/51/21/39/946512139.db2.gz PJMMRFOKFBHQNP-CYBMUJFWSA-N -1 1 384.853 0.198 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1)c1ccnnc1 ZINC001571313147 946512459 /nfs/dbraw/zinc/51/24/59/946512459.db2.gz OXAROOVRKPOCSI-HZSPNIEDSA-N -1 1 392.427 0.482 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571313123 946512501 /nfs/dbraw/zinc/51/25/01/946512501.db2.gz OLKOYGFTUANCDC-WCQYABFASA-N -1 1 392.427 0.150 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571313123 946512513 /nfs/dbraw/zinc/51/25/13/946512513.db2.gz OLKOYGFTUANCDC-WCQYABFASA-N -1 1 392.427 0.150 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1ccnnc1 ZINC001571313146 946513373 /nfs/dbraw/zinc/51/33/73/946513373.db2.gz OXAROOVRKPOCSI-BFHYXJOUSA-N -1 1 392.427 0.482 20 0 GCADMM C[C@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571313556 946525926 /nfs/dbraw/zinc/52/59/26/946525926.db2.gz ROQHBDHTSZGSCE-GXFFZTMASA-N -1 1 392.427 0.319 20 0 GCADMM Cc1ccnc(C(=O)N[C@@]23CCC[C@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571313566 946526434 /nfs/dbraw/zinc/52/64/34/946526434.db2.gz RWCASGVSUXDVSQ-KZULUSFZSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1ccnc(C(=O)N[C@@]23CCC[C@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571313566 946526441 /nfs/dbraw/zinc/52/64/41/946526441.db2.gz RWCASGVSUXDVSQ-KZULUSFZSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571313626 946527152 /nfs/dbraw/zinc/52/71/52/946527152.db2.gz UZEAWEVEAGWVLU-JSGCOSHPSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571313626 946527155 /nfs/dbraw/zinc/52/71/55/946527155.db2.gz UZEAWEVEAGWVLU-JSGCOSHPSA-N -1 1 392.427 0.496 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573514402 946527532 /nfs/dbraw/zinc/52/75/32/946527532.db2.gz YNIILVOTVKLSGJ-GHMZBOCLSA-N -1 1 378.462 0.607 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573514403 946527667 /nfs/dbraw/zinc/52/76/67/946527667.db2.gz YNIILVOTVKLSGJ-MNOVXSKESA-N -1 1 378.462 0.607 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571313625 946528137 /nfs/dbraw/zinc/52/81/37/946528137.db2.gz UZEAWEVEAGWVLU-GXTWGEPZSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571313625 946528149 /nfs/dbraw/zinc/52/81/49/946528149.db2.gz UZEAWEVEAGWVLU-GXTWGEPZSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571313609 946528830 /nfs/dbraw/zinc/52/88/30/946528830.db2.gz UOBXFCFSUMHURM-GXTWGEPZSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571313609 946528833 /nfs/dbraw/zinc/52/88/33/946528833.db2.gz UOBXFCFSUMHURM-GXTWGEPZSA-N -1 1 392.427 0.496 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1cnc2n1CCC2 ZINC001571313806 946532230 /nfs/dbraw/zinc/53/22/30/946532230.db2.gz VTIHXNWIDMLZLY-WXHSDQCUSA-N -1 1 392.427 0.339 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1cnc2n1CCC2 ZINC001571313806 946532236 /nfs/dbraw/zinc/53/22/36/946532236.db2.gz VTIHXNWIDMLZLY-WXHSDQCUSA-N -1 1 392.427 0.339 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccnc(C2CC2)n1 ZINC001571313859 946535275 /nfs/dbraw/zinc/53/52/75/946535275.db2.gz WRUOPDQTPJUGLE-GFCCVEGCSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccnc(C2CC2)n1 ZINC001571313859 946535287 /nfs/dbraw/zinc/53/52/87/946535287.db2.gz WRUOPDQTPJUGLE-GFCCVEGCSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCOC1 ZINC001571313910 946536987 /nfs/dbraw/zinc/53/69/87/946536987.db2.gz XHOUMEKWSVSULA-DXCKQFNASA-N -1 1 392.423 0.887 20 0 GCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCOC1 ZINC001571313910 946536993 /nfs/dbraw/zinc/53/69/93/946536993.db2.gz XHOUMEKWSVSULA-DXCKQFNASA-N -1 1 392.423 0.887 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573517382 946572222 /nfs/dbraw/zinc/57/22/22/946572222.db2.gz IXVRPEARXFNXND-ZDUSSCGKSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573517382 946572229 /nfs/dbraw/zinc/57/22/29/946572229.db2.gz IXVRPEARXFNXND-ZDUSSCGKSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573517381 946572575 /nfs/dbraw/zinc/57/25/75/946572575.db2.gz IXVRPEARXFNXND-CYBMUJFWSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573517381 946572588 /nfs/dbraw/zinc/57/25/88/946572588.db2.gz IXVRPEARXFNXND-CYBMUJFWSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573517599 946577982 /nfs/dbraw/zinc/57/79/82/946577982.db2.gz OGSMNOCZADSTCC-QMMMGPOBSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573517599 946577991 /nfs/dbraw/zinc/57/79/91/946577991.db2.gz OGSMNOCZADSTCC-QMMMGPOBSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573517857 946582199 /nfs/dbraw/zinc/58/21/99/946582199.db2.gz SUQPRPGPORWAIB-NSHDSACASA-N -1 1 378.462 0.243 20 0 GCADMM CC(C)(C)OC(=O)C1CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000824093895 946584671 /nfs/dbraw/zinc/58/46/71/946584671.db2.gz NKQWLOZHCJIPSJ-UHFFFAOYSA-N -1 1 376.421 0.475 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573518013 946585404 /nfs/dbraw/zinc/58/54/04/946585404.db2.gz VPWMNXNQJFSAFB-MRVPVSSYSA-N -1 1 384.853 0.055 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573518013 946585416 /nfs/dbraw/zinc/58/54/16/946585416.db2.gz VPWMNXNQJFSAFB-MRVPVSSYSA-N -1 1 384.853 0.055 20 0 GCADMM CC(=O)NCC(=O)NCC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573520880 946602156 /nfs/dbraw/zinc/60/21/56/946602156.db2.gz OPXHXMGSOCMDKD-BXKDBHETSA-N -1 1 392.489 0.346 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCOCC3(CC3)C2)n1 ZINC000824142473 946602527 /nfs/dbraw/zinc/60/25/27/946602527.db2.gz UONIAPHYEQUYML-UHFFFAOYSA-N -1 1 388.432 0.396 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCOCC3(CC3)C2)n1 ZINC000824142473 946602531 /nfs/dbraw/zinc/60/25/31/946602531.db2.gz UONIAPHYEQUYML-UHFFFAOYSA-N -1 1 388.432 0.396 20 0 GCADMM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@@H]1CCCOC1 ZINC001571317335 946605808 /nfs/dbraw/zinc/60/58/08/946605808.db2.gz DGSFXMZQFCMGQR-CHWSQXEVSA-N -1 1 392.485 0.672 20 0 GCADMM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@H]1CCCOC1 ZINC001571317337 946605855 /nfs/dbraw/zinc/60/58/55/946605855.db2.gz DGSFXMZQFCMGQR-QWHCGFSZSA-N -1 1 392.485 0.672 20 0 GCADMM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@H]1CCCCO1 ZINC001571317792 946620721 /nfs/dbraw/zinc/62/07/21/946620721.db2.gz VXOLUBSUJIXUHM-TZMCWYRMSA-N -1 1 392.485 0.814 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573522159 946621886 /nfs/dbraw/zinc/62/18/86/946621886.db2.gz BLSAKBOAUIIXNJ-NSHDSACASA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573522100 946622292 /nfs/dbraw/zinc/62/22/92/946622292.db2.gz APQRMBPYUIQFAW-GFCCVEGCSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573522100 946622302 /nfs/dbraw/zinc/62/23/02/946622302.db2.gz APQRMBPYUIQFAW-GFCCVEGCSA-N -1 1 387.448 0.140 20 0 GCADMM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCOC1 ZINC001571317945 946624557 /nfs/dbraw/zinc/62/45/57/946624557.db2.gz ZTUSNWMUKZZNEI-CHWSQXEVSA-N -1 1 392.485 0.672 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573522410 946624882 /nfs/dbraw/zinc/62/48/82/946624882.db2.gz FGEFVCYSUVDSNE-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573522410 946624887 /nfs/dbraw/zinc/62/48/87/946624887.db2.gz FGEFVCYSUVDSNE-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573522337 946625513 /nfs/dbraw/zinc/62/55/13/946625513.db2.gz CVZMOTMOIWDKDO-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573522337 946625517 /nfs/dbraw/zinc/62/55/17/946625517.db2.gz CVZMOTMOIWDKDO-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)Nc1nccs1 ZINC000824235088 946629199 /nfs/dbraw/zinc/62/91/99/946629199.db2.gz BSDUDHWJGVSGQQ-SECBINFHSA-N -1 1 390.433 0.084 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573523795 946639045 /nfs/dbraw/zinc/63/90/45/946639045.db2.gz WOJBRGRCDXYKAD-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573523795 946639050 /nfs/dbraw/zinc/63/90/50/946639050.db2.gz WOJBRGRCDXYKAD-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573523901 946639380 /nfs/dbraw/zinc/63/93/80/946639380.db2.gz XWVAJWRVEXYHBP-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573523901 946639384 /nfs/dbraw/zinc/63/93/84/946639384.db2.gz XWVAJWRVEXYHBP-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573523991 946641270 /nfs/dbraw/zinc/64/12/70/946641270.db2.gz ZCRMOJZGJUDDLM-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573523991 946641276 /nfs/dbraw/zinc/64/12/76/946641276.db2.gz ZCRMOJZGJUDDLM-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573527558 946644203 /nfs/dbraw/zinc/64/42/03/946644203.db2.gz COMVNWZWIKOPQS-LLVKDONJSA-N -1 1 392.489 0.489 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573527922 946650508 /nfs/dbraw/zinc/65/05/08/946650508.db2.gz LUZHTYCKSUPKNM-SNVBAGLBSA-N -1 1 389.464 0.434 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573527922 946650511 /nfs/dbraw/zinc/65/05/11/946650511.db2.gz LUZHTYCKSUPKNM-SNVBAGLBSA-N -1 1 389.464 0.434 20 0 GCADMM CC(=O)NCCCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573530194 946689594 /nfs/dbraw/zinc/68/95/94/946689594.db2.gz WBROOVTVXQTNIM-CYBMUJFWSA-N -1 1 387.448 0.048 20 0 GCADMM CC(=O)NCCCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573530194 946689600 /nfs/dbraw/zinc/68/96/00/946689600.db2.gz WBROOVTVXQTNIM-CYBMUJFWSA-N -1 1 387.448 0.048 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1)C(C)C ZINC001573535333 946723211 /nfs/dbraw/zinc/72/32/11/946723211.db2.gz CHWLQYMUYQTLJS-WCQYABFASA-N -1 1 392.489 0.487 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573535734 946725135 /nfs/dbraw/zinc/72/51/35/946725135.db2.gz IMJKWOAOKFBZCU-ZOBORPQBSA-N -1 1 399.459 0.043 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573535734 946725148 /nfs/dbraw/zinc/72/51/48/946725148.db2.gz IMJKWOAOKFBZCU-ZOBORPQBSA-N -1 1 399.459 0.043 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573536127 946729050 /nfs/dbraw/zinc/72/90/50/946729050.db2.gz PMNYZIBIJXNPMF-GXFFZTMASA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573536127 946729054 /nfs/dbraw/zinc/72/90/54/946729054.db2.gz PMNYZIBIJXNPMF-GXFFZTMASA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573536755 946740301 /nfs/dbraw/zinc/74/03/01/946740301.db2.gz CGVWUTNQZQGHMG-IINYFYTJSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573536755 946740307 /nfs/dbraw/zinc/74/03/07/946740307.db2.gz CGVWUTNQZQGHMG-IINYFYTJSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573537325 946744228 /nfs/dbraw/zinc/74/42/28/946744228.db2.gz JWQNFLZWDKWWST-GXTWGEPZSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537325 946744235 /nfs/dbraw/zinc/74/42/35/946744235.db2.gz JWQNFLZWDKWWST-GXTWGEPZSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1)C(C)C ZINC001573537866 946758822 /nfs/dbraw/zinc/75/88/22/946758822.db2.gz RKGOJKYKFKIPAA-DGCLKSJQSA-N -1 1 392.489 0.805 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573537941 946760390 /nfs/dbraw/zinc/76/03/90/946760390.db2.gz NLUJMETUDYLURM-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573537941 946760394 /nfs/dbraw/zinc/76/03/94/946760394.db2.gz NLUJMETUDYLURM-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573538036 946763328 /nfs/dbraw/zinc/76/33/28/946763328.db2.gz UDLQBFAOMYJNMG-QMTHXVAHSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573538036 946763335 /nfs/dbraw/zinc/76/33/35/946763335.db2.gz UDLQBFAOMYJNMG-QMTHXVAHSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(C)(C)C ZINC001573540433 946775712 /nfs/dbraw/zinc/77/57/12/946775712.db2.gz DQWVUHIFONHMOH-GFCCVEGCSA-N -1 1 377.453 0.114 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)(C)C ZINC001573540433 946775725 /nfs/dbraw/zinc/77/57/25/946775725.db2.gz DQWVUHIFONHMOH-GFCCVEGCSA-N -1 1 377.453 0.114 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)(C)C 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GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573541652 946788648 /nfs/dbraw/zinc/78/86/48/946788648.db2.gz UVQVIBQEOMSNEZ-GXTWGEPZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573541652 946788656 /nfs/dbraw/zinc/78/86/56/946788656.db2.gz UVQVIBQEOMSNEZ-GXTWGEPZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573541661 946788793 /nfs/dbraw/zinc/78/87/93/946788793.db2.gz VKOIFJSXWOVHTO-DGCLKSJQSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573541661 946788799 /nfs/dbraw/zinc/78/87/99/946788799.db2.gz VKOIFJSXWOVHTO-DGCLKSJQSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573541904 946789637 /nfs/dbraw/zinc/78/96/37/946789637.db2.gz XUNUPORXZARARS-BXUZGUMPSA-N -1 1 389.464 0.148 20 0 GCADMM 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CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573541884 946791170 /nfs/dbraw/zinc/79/11/70/946791170.db2.gz WWJAPVOWKLFEEZ-IINYFYTJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573541884 946791177 /nfs/dbraw/zinc/79/11/77/946791177.db2.gz WWJAPVOWKLFEEZ-IINYFYTJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573542205 946792334 /nfs/dbraw/zinc/79/23/34/946792334.db2.gz AWYTZLQAHVYCQI-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573542205 946792338 /nfs/dbraw/zinc/79/23/38/946792338.db2.gz AWYTZLQAHVYCQI-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573542249 946794824 /nfs/dbraw/zinc/79/48/24/946794824.db2.gz DDRAGMRPNBHBBU-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573542249 946794829 /nfs/dbraw/zinc/79/48/29/946794829.db2.gz DDRAGMRPNBHBBU-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573542695 946800186 /nfs/dbraw/zinc/80/01/86/946800186.db2.gz LSQJEIIHQRUXSP-FRRDWIJNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573542695 946800197 /nfs/dbraw/zinc/80/01/97/946800197.db2.gz LSQJEIIHQRUXSP-FRRDWIJNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573543343 946805685 /nfs/dbraw/zinc/80/56/85/946805685.db2.gz WXWWGRBSRBOZBG-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573543343 946805694 /nfs/dbraw/zinc/80/56/94/946805694.db2.gz WXWWGRBSRBOZBG-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573543287 946805765 /nfs/dbraw/zinc/80/57/65/946805765.db2.gz VEVRWOVQJIVAIV-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573543287 946805771 /nfs/dbraw/zinc/80/57/71/946805771.db2.gz VEVRWOVQJIVAIV-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573543312 946807198 /nfs/dbraw/zinc/80/71/98/946807198.db2.gz VNIWICAKYNZXKR-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573543312 946807205 /nfs/dbraw/zinc/80/72/05/946807205.db2.gz VNIWICAKYNZXKR-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC001573547363 946834277 /nfs/dbraw/zinc/83/42/77/946834277.db2.gz LOZOGAHONQYJQS-UHFFFAOYSA-N -1 1 375.780 0.500 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573548162 946847447 /nfs/dbraw/zinc/84/74/47/946847447.db2.gz DWJROJHIAXDNHM-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573548162 946847455 /nfs/dbraw/zinc/84/74/55/946847455.db2.gz DWJROJHIAXDNHM-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573548311 946849385 /nfs/dbraw/zinc/84/93/85/946849385.db2.gz IGRSTODYGCDCCR-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573548311 946849396 /nfs/dbraw/zinc/84/93/96/946849396.db2.gz IGRSTODYGCDCCR-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573548386 946853045 /nfs/dbraw/zinc/85/30/45/946853045.db2.gz JZZKHOFHKCOERK-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573548386 946853054 /nfs/dbraw/zinc/85/30/54/946853054.db2.gz JZZKHOFHKCOERK-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)c1csc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1 ZINC001573558282 946937885 /nfs/dbraw/zinc/93/78/85/946937885.db2.gz IMLFLGDSRXYATR-UHFFFAOYSA-N -1 1 388.413 0.943 20 0 GCADMM CC(=O)c1csc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1 ZINC001573558282 946937890 /nfs/dbraw/zinc/93/78/90/946937890.db2.gz IMLFLGDSRXYATR-UHFFFAOYSA-N -1 1 388.413 0.943 20 0 GCADMM C[C@@H]1[C@H](C)N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1C(=O)OC(C)(C)C ZINC000824860523 946954824 /nfs/dbraw/zinc/95/48/24/946954824.db2.gz VJQLIIIDXPVGGE-WDEREUQCSA-N -1 1 391.436 0.315 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC000824999120 947033427 /nfs/dbraw/zinc/03/34/27/947033427.db2.gz CMFIXZXZQUWPID-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC000824999120 947033438 /nfs/dbraw/zinc/03/34/38/947033438.db2.gz CMFIXZXZQUWPID-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC000825000339 947037747 /nfs/dbraw/zinc/03/77/47/947037747.db2.gz OPPCSDXULGTNTA-VIFPVBQESA-N -1 1 390.358 0.599 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC000825000339 947037754 /nfs/dbraw/zinc/03/77/54/947037754.db2.gz OPPCSDXULGTNTA-VIFPVBQESA-N -1 1 390.358 0.599 20 0 GCADMM CCCC(=O)NC[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825225092 947126867 /nfs/dbraw/zinc/12/68/67/947126867.db2.gz LGRSOXFXSHQXGK-GFCCVEGCSA-N -1 1 375.433 0.861 20 0 GCADMM CCCC(=O)NC[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825225092 947126873 /nfs/dbraw/zinc/12/68/73/947126873.db2.gz LGRSOXFXSHQXGK-GFCCVEGCSA-N -1 1 375.433 0.861 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N(C)Cc2cccs2)c1-c1nn[n-]n1 ZINC000825564793 947222789 /nfs/dbraw/zinc/22/27/89/947222789.db2.gz FSVMAJISOKXORQ-UHFFFAOYSA-N -1 1 375.414 0.960 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000825565331 947224893 /nfs/dbraw/zinc/22/48/93/947224893.db2.gz RDTSCRVQVUNMBX-STQMWFEESA-N -1 1 389.416 0.410 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(Cl)cn2)c1-c1nn[n-]n1 ZINC000825570708 947230038 /nfs/dbraw/zinc/23/00/38/947230038.db2.gz NMIIJDRZVVEEPG-UHFFFAOYSA-N -1 1 376.764 0.927 20 0 GCADMM CCOc1ccc(NC(=O)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825643371 947267637 /nfs/dbraw/zinc/26/76/37/947267637.db2.gz NGPLEWVAPIGQDZ-UHFFFAOYSA-N -1 1 385.384 0.859 20 0 GCADMM CCOc1ccc(NC(=O)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825643371 947267650 /nfs/dbraw/zinc/26/76/50/947267650.db2.gz NGPLEWVAPIGQDZ-UHFFFAOYSA-N -1 1 385.384 0.859 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573592064 947325579 /nfs/dbraw/zinc/32/55/79/947325579.db2.gz IKARBYGFOJIJAU-GXTWGEPZSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573592064 947325587 /nfs/dbraw/zinc/32/55/87/947325587.db2.gz IKARBYGFOJIJAU-GXTWGEPZSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(CC(F)(F)F)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573592107 947329269 /nfs/dbraw/zinc/32/92/69/947329269.db2.gz ABIZGZYCXOSNMK-SECBINFHSA-N -1 1 387.370 0.504 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573592614 947341936 /nfs/dbraw/zinc/34/19/36/947341936.db2.gz LESSSSBRBYNZJC-VHSXEESVSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573592614 947341945 /nfs/dbraw/zinc/34/19/45/947341945.db2.gz LESSSSBRBYNZJC-VHSXEESVSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573592632 947342102 /nfs/dbraw/zinc/34/21/02/947342102.db2.gz LJIRYEYOANJQSL-GXTWGEPZSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573592632 947342112 /nfs/dbraw/zinc/34/21/12/947342112.db2.gz LJIRYEYOANJQSL-GXTWGEPZSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592969 947357650 /nfs/dbraw/zinc/35/76/50/947357650.db2.gz OUBFRZVDMFIULZ-RYUDHWBXSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592969 947357653 /nfs/dbraw/zinc/35/76/53/947357653.db2.gz OUBFRZVDMFIULZ-RYUDHWBXSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573593312 947368380 /nfs/dbraw/zinc/36/83/80/947368380.db2.gz JTPFVJYAABHULX-DGCLKSJQSA-N -1 1 382.432 0.185 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573593316 947368661 /nfs/dbraw/zinc/36/86/61/947368661.db2.gz JTPFVJYAABHULX-YPMHNXCESA-N -1 1 382.432 0.185 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573595466 947420637 /nfs/dbraw/zinc/42/06/37/947420637.db2.gz GIXPRSAIMHGCLN-NWDGAFQWSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573595466 947420645 /nfs/dbraw/zinc/42/06/45/947420645.db2.gz GIXPRSAIMHGCLN-NWDGAFQWSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573597423 947436377 /nfs/dbraw/zinc/43/63/77/947436377.db2.gz OGTFIURUGFDJHW-WCQYABFASA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573597423 947436385 /nfs/dbraw/zinc/43/63/85/947436385.db2.gz OGTFIURUGFDJHW-WCQYABFASA-N -1 1 383.416 0.087 20 0 GCADMM COC(=O)C1=C(C)O[C@H](Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)C1 ZINC000826128189 947441211 /nfs/dbraw/zinc/44/12/11/947441211.db2.gz ABKGPMOONJCZQH-JTQLQIEISA-N -1 1 375.341 0.051 20 0 GCADMM COC(=O)[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)c2ccccc2O1 ZINC000826132650 947446182 /nfs/dbraw/zinc/44/61/82/947446182.db2.gz FTKRDLOFVRGCOP-ZDUSSCGKSA-N -1 1 384.352 0.673 20 0 GCADMM COC(=O)[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)c2ccccc2O1 ZINC000826132650 947446188 /nfs/dbraw/zinc/44/61/88/947446188.db2.gz FTKRDLOFVRGCOP-ZDUSSCGKSA-N -1 1 384.352 0.673 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)n1cncn1 ZINC001573602929 947474336 /nfs/dbraw/zinc/47/43/36/947474336.db2.gz BRJPRZDKIMZKFY-ZETCQYMHSA-N -1 1 382.841 0.700 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)n1cncn1 ZINC001573602929 947474344 /nfs/dbraw/zinc/47/43/44/947474344.db2.gz BRJPRZDKIMZKFY-ZETCQYMHSA-N -1 1 382.841 0.700 20 0 GCADMM C[C@@H](C(=O)N(C)CCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573603315 947481833 /nfs/dbraw/zinc/48/18/33/947481833.db2.gz JZXPSKBRSDQNLX-CYBMUJFWSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@H](C(=O)N(C)CCOCCNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001573604747 947514900 /nfs/dbraw/zinc/51/49/00/947514900.db2.gz QVLFNJSZWBVMIN-GXTWGEPZSA-N -1 1 390.448 0.359 20 0 GCADMM C[C@H](C(=O)N(C)CCOCCNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001573604747 947514908 /nfs/dbraw/zinc/51/49/08/947514908.db2.gz QVLFNJSZWBVMIN-GXTWGEPZSA-N -1 1 390.448 0.359 20 0 GCADMM COCCn1c(=O)cc([O-])nc1SCCOc1ccccc1-c1nn[nH]n1 ZINC000826163816 947515492 /nfs/dbraw/zinc/51/54/92/947515492.db2.gz MMQQJSVXXHHVQL-UHFFFAOYSA-N -1 1 390.425 0.947 20 0 GCADMM C[C@@H](C(=O)N(C)CCN1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573605107 947524451 /nfs/dbraw/zinc/52/44/51/947524451.db2.gz YLRMQTBERRTSHU-CYBMUJFWSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573608425 947561286 /nfs/dbraw/zinc/56/12/86/947561286.db2.gz ZPLPQRILHAMRID-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573608425 947561295 /nfs/dbraw/zinc/56/12/95/947561295.db2.gz ZPLPQRILHAMRID-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573613546 947564413 /nfs/dbraw/zinc/56/44/13/947564413.db2.gz CFIHEPCNJNYDJU-FQUUOJAGSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001573613660 947566256 /nfs/dbraw/zinc/56/62/56/947566256.db2.gz GCRLMLAHVYQECJ-CXTNEJHOSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001573613660 947566264 /nfs/dbraw/zinc/56/62/64/947566264.db2.gz GCRLMLAHVYQECJ-CXTNEJHOSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001573613663 947566921 /nfs/dbraw/zinc/56/69/21/947566921.db2.gz GCRLMLAHVYQECJ-XPCVCDNBSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001573613663 947566924 /nfs/dbraw/zinc/56/69/24/947566924.db2.gz GCRLMLAHVYQECJ-XPCVCDNBSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cccn1 ZINC001573613748 947568141 /nfs/dbraw/zinc/56/81/41/947568141.db2.gz HTIBKQUOSJCUHQ-VXGBXAGGSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cccn1 ZINC001573613748 947568151 /nfs/dbraw/zinc/56/81/51/947568151.db2.gz HTIBKQUOSJCUHQ-VXGBXAGGSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573614230 947579720 /nfs/dbraw/zinc/57/97/20/947579720.db2.gz DIKQBXXNEDMNCC-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573614230 947579729 /nfs/dbraw/zinc/57/97/29/947579729.db2.gz DIKQBXXNEDMNCC-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573614441 947584963 /nfs/dbraw/zinc/58/49/63/947584963.db2.gz FFTHSMUKVBDQDD-JSGCOSHPSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573614514 947588579 /nfs/dbraw/zinc/58/85/79/947588579.db2.gz MPUNSUJEBJWSEO-PXAZEXFGSA-N -1 1 382.432 0.187 20 0 GCADMM COc1ccc(CNC(=O)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826197255 947596356 /nfs/dbraw/zinc/59/63/56/947596356.db2.gz HDMPUKKXTXTGEK-UHFFFAOYSA-N -1 1 385.384 0.147 20 0 GCADMM COc1ccc(CNC(=O)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826197255 947596361 /nfs/dbraw/zinc/59/63/61/947596361.db2.gz HDMPUKKXTXTGEK-UHFFFAOYSA-N -1 1 385.384 0.147 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573615548 947606983 /nfs/dbraw/zinc/60/69/83/947606983.db2.gz SHWMBYDSLXUYMO-MELADBBJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573615548 947606988 /nfs/dbraw/zinc/60/69/88/947606988.db2.gz SHWMBYDSLXUYMO-MELADBBJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573616219 947619916 /nfs/dbraw/zinc/61/99/16/947619916.db2.gz MDNNTEZGHJXDRW-BDJLRTHQSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573616219 947619922 /nfs/dbraw/zinc/61/99/22/947619922.db2.gz MDNNTEZGHJXDRW-BDJLRTHQSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cccn1 ZINC001573616533 947622837 /nfs/dbraw/zinc/62/28/37/947622837.db2.gz WZRUJBMJHSESHM-NWDGAFQWSA-N -1 1 382.432 0.185 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cccn1 ZINC001573616529 947623051 /nfs/dbraw/zinc/62/30/51/947623051.db2.gz WZRUJBMJHSESHM-NEPJUHHUSA-N -1 1 382.432 0.185 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)cc1 ZINC001573354645 947633446 /nfs/dbraw/zinc/63/34/46/947633446.db2.gz GIYSVCIUQPVQOZ-GJZGRUSLSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)cc1 ZINC001573354645 947633454 /nfs/dbraw/zinc/63/34/54/947633454.db2.gz GIYSVCIUQPVQOZ-GJZGRUSLSA-N -1 1 392.423 0.669 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573617357 947634152 /nfs/dbraw/zinc/63/41/52/947634152.db2.gz OXPVEAFPQPSQPI-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573617357 947634158 /nfs/dbraw/zinc/63/41/58/947634158.db2.gz OXPVEAFPQPSQPI-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573617330 947634384 /nfs/dbraw/zinc/63/43/84/947634384.db2.gz LFHYQCZUHMWNNC-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573617330 947634391 /nfs/dbraw/zinc/63/43/91/947634391.db2.gz LFHYQCZUHMWNNC-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573617783 947640846 /nfs/dbraw/zinc/64/08/46/947640846.db2.gz MUBZTHZVLGKGFG-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573617783 947640853 /nfs/dbraw/zinc/64/08/53/947640853.db2.gz MUBZTHZVLGKGFG-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001573355463 947643166 /nfs/dbraw/zinc/64/31/66/947643166.db2.gz PMMLJQLPCOLFLH-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573618722 947652009 /nfs/dbraw/zinc/65/20/09/947652009.db2.gz RLXYTECPEACSRO-GFCCVEGCSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573618722 947652012 /nfs/dbraw/zinc/65/20/12/947652012.db2.gz RLXYTECPEACSRO-GFCCVEGCSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573618904 947657117 /nfs/dbraw/zinc/65/71/17/947657117.db2.gz SVRSVNHNUUINAM-OLZOCXBDSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573618904 947657123 /nfs/dbraw/zinc/65/71/23/947657123.db2.gz SVRSVNHNUUINAM-OLZOCXBDSA-N -1 1 382.432 0.399 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1 ZINC001573358156 947657507 /nfs/dbraw/zinc/65/75/07/947657507.db2.gz BLLKAPSZOFQHMI-KGLIPLIRSA-N -1 1 378.396 0.279 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573618931 947658125 /nfs/dbraw/zinc/65/81/25/947658125.db2.gz UADGMBVSKQISPG-GFCCVEGCSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573619433 947664093 /nfs/dbraw/zinc/66/40/93/947664093.db2.gz WFZRQVYHGNOODV-CHWSQXEVSA-N -1 1 382.432 0.187 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573619475 947664388 /nfs/dbraw/zinc/66/43/88/947664388.db2.gz WLDPNHZECRIECK-GFCCVEGCSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573619475 947664394 /nfs/dbraw/zinc/66/43/94/947664394.db2.gz WLDPNHZECRIECK-GFCCVEGCSA-N -1 1 382.432 0.765 20 0 GCADMM C/C(=C\C(=O)N(C)CCOCCN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573358585 947665853 /nfs/dbraw/zinc/66/58/53/947665853.db2.gz MMTNRDLPMDZCLK-OUKQBFOZSA-N -1 1 386.460 0.924 20 0 GCADMM C/C(=C\C(=O)N(C)CCOCCN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573358585 947665860 /nfs/dbraw/zinc/66/58/60/947665860.db2.gz MMTNRDLPMDZCLK-OUKQBFOZSA-N -1 1 386.460 0.924 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573619617 947667065 /nfs/dbraw/zinc/66/70/65/947667065.db2.gz WFCOSDAYNYHLNW-NWDGAFQWSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573619617 947667072 /nfs/dbraw/zinc/66/70/72/947667072.db2.gz WFCOSDAYNYHLNW-NWDGAFQWSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573619548 947667701 /nfs/dbraw/zinc/66/77/01/947667701.db2.gz VROHQNCXSVXEIH-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573619875 947671846 /nfs/dbraw/zinc/67/18/46/947671846.db2.gz XEOWPUDCDWLHPN-PXAZEXFGSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573619875 947671851 /nfs/dbraw/zinc/67/18/51/947671851.db2.gz XEOWPUDCDWLHPN-PXAZEXFGSA-N -1 1 382.432 0.765 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN(C(C)(C)CO)CC2)cc1-c1nnn[n-]1 ZINC000826229630 947671890 /nfs/dbraw/zinc/67/18/90/947671890.db2.gz LGHJUUSAHSNHKC-UHFFFAOYSA-N -1 1 393.473 0.218 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573619890 947672423 /nfs/dbraw/zinc/67/24/23/947672423.db2.gz YQLQBQLUJWPMQB-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573619890 947672428 /nfs/dbraw/zinc/67/24/28/947672428.db2.gz YQLQBQLUJWPMQB-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2OC)cc1 ZINC001573359093 947677426 /nfs/dbraw/zinc/67/74/26/947677426.db2.gz NGXXTZSJLBSDHH-HZPDHXFCSA-N -1 1 392.423 0.933 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2OC)cc1 ZINC001573359093 947677430 /nfs/dbraw/zinc/67/74/30/947677430.db2.gz NGXXTZSJLBSDHH-HZPDHXFCSA-N -1 1 392.423 0.933 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573359675 947686745 /nfs/dbraw/zinc/68/67/45/947686745.db2.gz XLQFJCAXGRVFDA-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573359675 947686748 /nfs/dbraw/zinc/68/67/48/947686748.db2.gz XLQFJCAXGRVFDA-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573359691 947689695 /nfs/dbraw/zinc/68/96/95/947689695.db2.gz YFASRWBQIUBMRW-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573359691 947689702 /nfs/dbraw/zinc/68/97/02/947689702.db2.gz YFASRWBQIUBMRW-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573627392 947722327 /nfs/dbraw/zinc/72/23/27/947722327.db2.gz AQFHIIMFVWPLBJ-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573627393 947722353 /nfs/dbraw/zinc/72/23/53/947722353.db2.gz AQFHIIMFVWPLBJ-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573627789 947735099 /nfs/dbraw/zinc/73/50/99/947735099.db2.gz CKYMTGWGNFOOIJ-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573627789 947735111 /nfs/dbraw/zinc/73/51/11/947735111.db2.gz CKYMTGWGNFOOIJ-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573628031 947743474 /nfs/dbraw/zinc/74/34/74/947743474.db2.gz HLNRNSYMOLDCSL-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573628031 947743477 /nfs/dbraw/zinc/74/34/77/947743477.db2.gz HLNRNSYMOLDCSL-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573628135 947746310 /nfs/dbraw/zinc/74/63/10/947746310.db2.gz FNNKHRFSIAMYGI-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573628135 947746316 /nfs/dbraw/zinc/74/63/16/947746316.db2.gz FNNKHRFSIAMYGI-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573628446 947755590 /nfs/dbraw/zinc/75/55/90/947755590.db2.gz KVOIOKQXUAGLEY-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573628446 947755601 /nfs/dbraw/zinc/75/56/01/947755601.db2.gz KVOIOKQXUAGLEY-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CCO2)n1 ZINC000826264914 947764086 /nfs/dbraw/zinc/76/40/86/947764086.db2.gz FLBNDHURUBGIQE-ZDUSSCGKSA-N -1 1 386.416 0.447 20 0 GCADMM Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CCO2)n1 ZINC000826264914 947764091 /nfs/dbraw/zinc/76/40/91/947764091.db2.gz FLBNDHURUBGIQE-ZDUSSCGKSA-N -1 1 386.416 0.447 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573629098 947771098 /nfs/dbraw/zinc/77/10/98/947771098.db2.gz MDIIWSLFAPGPGP-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573629098 947771108 /nfs/dbraw/zinc/77/11/08/947771108.db2.gz MDIIWSLFAPGPGP-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573369644 947774625 /nfs/dbraw/zinc/77/46/25/947774625.db2.gz VUJCLXJMDPIKJX-OKILXGFUSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573369644 947774629 /nfs/dbraw/zinc/77/46/29/947774629.db2.gz VUJCLXJMDPIKJX-OKILXGFUSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573629325 947777518 /nfs/dbraw/zinc/77/75/18/947777518.db2.gz OGUFHQWQNJOGAU-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573629325 947777520 /nfs/dbraw/zinc/77/75/20/947777520.db2.gz OGUFHQWQNJOGAU-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573629326 947778209 /nfs/dbraw/zinc/77/82/09/947778209.db2.gz OGUFHQWQNJOGAU-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573629326 947778217 /nfs/dbraw/zinc/77/82/17/947778217.db2.gz OGUFHQWQNJOGAU-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573372784 947782174 /nfs/dbraw/zinc/78/21/74/947782174.db2.gz CIXNVBIPCGRCQT-GJZGRUSLSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573372784 947782182 /nfs/dbraw/zinc/78/21/82/947782182.db2.gz CIXNVBIPCGRCQT-GJZGRUSLSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573372785 947782368 /nfs/dbraw/zinc/78/23/68/947782368.db2.gz CIXNVBIPCGRCQT-HUUCEWRRSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573372785 947782372 /nfs/dbraw/zinc/78/23/72/947782372.db2.gz CIXNVBIPCGRCQT-HUUCEWRRSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573372683 947782627 /nfs/dbraw/zinc/78/26/27/947782627.db2.gz BWCLENZIPOLRBP-UHFFFAOYSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573372683 947782631 /nfs/dbraw/zinc/78/26/31/947782631.db2.gz BWCLENZIPOLRBP-UHFFFAOYSA-N -1 1 388.432 0.181 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573629848 947786258 /nfs/dbraw/zinc/78/62/58/947786258.db2.gz WJYOAWXZPUCFRK-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573629848 947786263 /nfs/dbraw/zinc/78/62/63/947786263.db2.gz WJYOAWXZPUCFRK-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573630058 947786776 /nfs/dbraw/zinc/78/67/76/947786776.db2.gz QFVFEBRYKHMXTJ-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573630058 947786782 /nfs/dbraw/zinc/78/67/82/947786782.db2.gz QFVFEBRYKHMXTJ-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM Cc1onc(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1-c1nnn[n-]1 ZINC000826272513 947791250 /nfs/dbraw/zinc/79/12/50/947791250.db2.gz NSYCYXQKTGRIPN-UHFFFAOYSA-N -1 1 391.413 0.609 20 0 GCADMM Cc1onc(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1-c1nn[n-]n1 ZINC000826272513 947791255 /nfs/dbraw/zinc/79/12/55/947791255.db2.gz NSYCYXQKTGRIPN-UHFFFAOYSA-N -1 1 391.413 0.609 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573631115 947797362 /nfs/dbraw/zinc/79/73/62/947797362.db2.gz SZXMRRMMGVPXNG-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573631115 947797370 /nfs/dbraw/zinc/79/73/70/947797370.db2.gz SZXMRRMMGVPXNG-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573373655 947798104 /nfs/dbraw/zinc/79/81/04/947798104.db2.gz FJMJKZUCVAOSQD-IHRRRGAJSA-N -1 1 384.444 0.890 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573373655 947798109 /nfs/dbraw/zinc/79/81/09/947798109.db2.gz FJMJKZUCVAOSQD-IHRRRGAJSA-N -1 1 384.444 0.890 20 0 GCADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573631189 947799112 /nfs/dbraw/zinc/79/91/12/947799112.db2.gz UFJPIHIYORDOML-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573631189 947799117 /nfs/dbraw/zinc/79/91/17/947799117.db2.gz UFJPIHIYORDOML-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573374700 947811992 /nfs/dbraw/zinc/81/19/92/947811992.db2.gz PIQMOBDUMCBXRY-GXTWGEPZSA-N -1 1 386.460 0.877 20 0 GCADMM C[C@H](C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573637727 947821566 /nfs/dbraw/zinc/82/15/66/947821566.db2.gz OINJLGJAPMDMRG-CHWSQXEVSA-N -1 1 388.476 0.790 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375724 947825312 /nfs/dbraw/zinc/82/53/12/947825312.db2.gz UOCUWTJWOJIIJW-ZFWWWQNUSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375724 947825323 /nfs/dbraw/zinc/82/53/23/947825323.db2.gz UOCUWTJWOJIIJW-ZFWWWQNUSA-N -1 1 384.444 0.843 20 0 GCADMM Cc1ccc(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cn1 ZINC000826287364 947833275 /nfs/dbraw/zinc/83/32/75/947833275.db2.gz LZGGYBODUZXTBV-UHFFFAOYSA-N -1 1 397.443 0.819 20 0 GCADMM Cc1ccc(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cn1 ZINC000826287364 947833280 /nfs/dbraw/zinc/83/32/80/947833280.db2.gz LZGGYBODUZXTBV-UHFFFAOYSA-N -1 1 397.443 0.819 20 0 GCADMM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)S(C)(=O)=O ZINC001573638075 947833680 /nfs/dbraw/zinc/83/36/80/947833680.db2.gz BXHLDJQJGWANLX-SNVBAGLBSA-N -1 1 384.487 0.006 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573376444 947837213 /nfs/dbraw/zinc/83/72/13/947837213.db2.gz VMGXWOLPHXTMJE-MJBXVCDLSA-N -1 1 384.444 0.890 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573376444 947837225 /nfs/dbraw/zinc/83/72/25/947837225.db2.gz VMGXWOLPHXTMJE-MJBXVCDLSA-N -1 1 384.444 0.890 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)c1-c1nnn[n-]1 ZINC000826289868 947842173 /nfs/dbraw/zinc/84/21/73/947842173.db2.gz PWPLQBHVHUMKCW-GFCCVEGCSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)c1-c1nn[n-]n1 ZINC000826289868 947842182 /nfs/dbraw/zinc/84/21/82/947842182.db2.gz PWPLQBHVHUMKCW-GFCCVEGCSA-N -1 1 383.416 0.589 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573639754 947848934 /nfs/dbraw/zinc/84/89/34/947848934.db2.gz CHYVJWBUSFUIRH-IUCAKERBSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573639754 947848943 /nfs/dbraw/zinc/84/89/43/947848943.db2.gz CHYVJWBUSFUIRH-IUCAKERBSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573639747 947849224 /nfs/dbraw/zinc/84/92/24/947849224.db2.gz CBWSXDXQDRSNDG-ZJUUUORDSA-N -1 1 382.375 0.009 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573641781 947858377 /nfs/dbraw/zinc/85/83/77/947858377.db2.gz NFDCGKNHKBHFGR-ZJUUUORDSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573641781 947858389 /nfs/dbraw/zinc/85/83/89/947858389.db2.gz NFDCGKNHKBHFGR-ZJUUUORDSA-N -1 1 382.375 0.587 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573380576 947860976 /nfs/dbraw/zinc/86/09/76/947860976.db2.gz FWBRUMUOCNBCFL-ZSOGYDGISA-N -1 1 384.444 0.523 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573380576 947860982 /nfs/dbraw/zinc/86/09/82/947860982.db2.gz FWBRUMUOCNBCFL-ZSOGYDGISA-N -1 1 384.444 0.523 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573381925 947879448 /nfs/dbraw/zinc/87/94/48/947879448.db2.gz ZSGRWOWMNLRNCB-KRWDZBQOSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573381925 947879457 /nfs/dbraw/zinc/87/94/57/947879457.db2.gz ZSGRWOWMNLRNCB-KRWDZBQOSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573382052 947881581 /nfs/dbraw/zinc/88/15/81/947881581.db2.gz CVLJYYDYEWSFTF-BXUZGUMPSA-N -1 1 386.460 0.913 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573382052 947881585 /nfs/dbraw/zinc/88/15/85/947881585.db2.gz CVLJYYDYEWSFTF-BXUZGUMPSA-N -1 1 386.460 0.913 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)c1ccco1 ZINC001573647053 947882669 /nfs/dbraw/zinc/88/26/69/947882669.db2.gz BCOCPXQUPNSASS-FRRDWIJNSA-N -1 1 382.428 0.982 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001573383209 947890954 /nfs/dbraw/zinc/89/09/54/947890954.db2.gz PYNGVTMBUQPDAE-ZDUSSCGKSA-N -1 1 388.432 0.128 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573647345 947891865 /nfs/dbraw/zinc/89/18/65/947891865.db2.gz ILBOFEYBCKBFPZ-JTNHKYCSSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573647345 947891872 /nfs/dbraw/zinc/89/18/72/947891872.db2.gz ILBOFEYBCKBFPZ-JTNHKYCSSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573647542 947897608 /nfs/dbraw/zinc/89/76/08/947897608.db2.gz OGJBDUSCNBEKOP-JTNHKYCSSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573647542 947897617 /nfs/dbraw/zinc/89/76/17/947897617.db2.gz OGJBDUSCNBEKOP-JTNHKYCSSA-N -1 1 382.432 0.453 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573384429 947901911 /nfs/dbraw/zinc/90/19/11/947901911.db2.gz MYOCHYGPMUOZRM-CHWSQXEVSA-N -1 1 378.458 0.349 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)c1cccnc1 ZINC001573651414 947920035 /nfs/dbraw/zinc/92/00/35/947920035.db2.gz LOHCJVCJGULYQT-YUELXQCFSA-N -1 1 391.439 0.750 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)c1cccnc1 ZINC001573651414 947920039 /nfs/dbraw/zinc/92/00/39/947920039.db2.gz LOHCJVCJGULYQT-YUELXQCFSA-N -1 1 391.439 0.750 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573388703 947920127 /nfs/dbraw/zinc/92/01/27/947920127.db2.gz NWRUWEHYNNIPHO-JOYOIKCWSA-N -1 1 392.489 0.616 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573388701 947920405 /nfs/dbraw/zinc/92/04/05/947920405.db2.gz NWRUWEHYNNIPHO-BXKDBHETSA-N -1 1 392.489 0.616 20 0 GCADMM Cc1cnc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000826318128 947931193 /nfs/dbraw/zinc/93/11/93/947931193.db2.gz WRTLCNQPRSRRKE-JQWIXIFHSA-N -1 1 398.431 0.934 20 0 GCADMM Cc1cnc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000826318128 947931202 /nfs/dbraw/zinc/93/12/02/947931202.db2.gz WRTLCNQPRSRRKE-JQWIXIFHSA-N -1 1 398.431 0.934 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573652199 947931696 /nfs/dbraw/zinc/93/16/96/947931696.db2.gz WLMHNYJOESQNNT-XBFCOCLRSA-N -1 1 377.412 0.645 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cncn1 ZINC001573652689 947943637 /nfs/dbraw/zinc/94/36/37/947943637.db2.gz GMLUBIIYGJJOOC-MGPLVRAMSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cncn1 ZINC001573652689 947943644 /nfs/dbraw/zinc/94/36/44/947943644.db2.gz GMLUBIIYGJJOOC-MGPLVRAMSA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573392669 947951148 /nfs/dbraw/zinc/95/11/48/947951148.db2.gz DKQCZMPUISSOGZ-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573392669 947951154 /nfs/dbraw/zinc/95/11/54/947951154.db2.gz DKQCZMPUISSOGZ-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573392891 947952282 /nfs/dbraw/zinc/95/22/82/947952282.db2.gz HNKWRFMVPATHEK-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573392891 947952284 /nfs/dbraw/zinc/95/22/84/947952284.db2.gz HNKWRFMVPATHEK-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(N3CCOCC3)nc2C)c1-c1nn[n-]n1 ZINC000826326839 947952975 /nfs/dbraw/zinc/95/29/75/947952975.db2.gz GVMLDCOSGSYQEU-UHFFFAOYSA-N -1 1 384.400 0.884 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@](C)(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573393384 947957213 /nfs/dbraw/zinc/95/72/13/947957213.db2.gz LCNJJBKXZYGWMH-QGZVFWFLSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@](C)(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573393384 947957221 /nfs/dbraw/zinc/95/72/21/947957221.db2.gz LCNJJBKXZYGWMH-QGZVFWFLSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573393369 947957640 /nfs/dbraw/zinc/95/76/40/947957640.db2.gz KSHGDZBPYSFEFA-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573393369 947957645 /nfs/dbraw/zinc/95/76/45/947957645.db2.gz KSHGDZBPYSFEFA-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573393660 947958346 /nfs/dbraw/zinc/95/83/46/947958346.db2.gz OSBKGNROHFBAQW-JOYOIKCWSA-N -1 1 392.489 0.901 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573393720 947960106 /nfs/dbraw/zinc/96/01/06/947960106.db2.gz PJCLCHRPPCURTF-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573393720 947960111 /nfs/dbraw/zinc/96/01/11/947960111.db2.gz PJCLCHRPPCURTF-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573393893 947960297 /nfs/dbraw/zinc/96/02/97/947960297.db2.gz QHKHSYGKJFIKSD-ZDUSSCGKSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573393893 947960299 /nfs/dbraw/zinc/96/02/99/947960299.db2.gz QHKHSYGKJFIKSD-ZDUSSCGKSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393734 947960728 /nfs/dbraw/zinc/96/07/28/947960728.db2.gz PLOCAOOZNRBWDG-GFCCVEGCSA-N -1 1 392.489 0.395 20 0 GCADMM Cc1nn(-c2ccccc2)c(COC(=O)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826332989 947964798 /nfs/dbraw/zinc/96/47/98/947964798.db2.gz PMLSRUZYRHOIMP-UHFFFAOYSA-N -1 1 383.412 0.736 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001573395242 947968433 /nfs/dbraw/zinc/96/84/33/947968433.db2.gz XRZIMOPUSGDLPC-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001573395242 947968439 /nfs/dbraw/zinc/96/84/39/947968439.db2.gz XRZIMOPUSGDLPC-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573395091 947969124 /nfs/dbraw/zinc/96/91/24/947969124.db2.gz XBKDGZZMPJPMRN-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573395091 947969132 /nfs/dbraw/zinc/96/91/32/947969132.db2.gz XBKDGZZMPJPMRN-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573395629 947969619 /nfs/dbraw/zinc/96/96/19/947969619.db2.gz ZMXYOLDJOFPOII-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573395629 947969628 /nfs/dbraw/zinc/96/96/28/947969628.db2.gz ZMXYOLDJOFPOII-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573397797 947974749 /nfs/dbraw/zinc/97/47/49/947974749.db2.gz DHYUGUAJHNVRDO-NXEZZACHSA-N -1 1 375.437 0.139 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573397797 947974754 /nfs/dbraw/zinc/97/47/54/947974754.db2.gz DHYUGUAJHNVRDO-NXEZZACHSA-N -1 1 375.437 0.139 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573655426 947977484 /nfs/dbraw/zinc/97/74/84/947977484.db2.gz XHWQGKMVCHSGCV-RISCZKNCSA-N -1 1 379.428 0.584 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573398358 947979731 /nfs/dbraw/zinc/97/97/31/947979731.db2.gz KIESSFVBCVMCHO-LLVKDONJSA-N -1 1 378.462 0.417 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573398564 947984679 /nfs/dbraw/zinc/98/46/79/947984679.db2.gz MZYMFSQUOUUYAZ-INIZCTEOSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573398910 947985762 /nfs/dbraw/zinc/98/57/62/947985762.db2.gz QNQUVMDABSOVFO-NKWVEPMBSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573399036 947987651 /nfs/dbraw/zinc/98/76/51/947987651.db2.gz SGTLVWUIDLDPAL-CQSZACIVSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573399036 947987656 /nfs/dbraw/zinc/98/76/56/947987656.db2.gz SGTLVWUIDLDPAL-CQSZACIVSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573656471 947990202 /nfs/dbraw/zinc/99/02/02/947990202.db2.gz GRJJZTAUAPPCGA-DIFFPNOSSA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573399521 947991602 /nfs/dbraw/zinc/99/16/02/947991602.db2.gz WAFIFJDGBNAYDI-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573399521 947991609 /nfs/dbraw/zinc/99/16/09/947991609.db2.gz WAFIFJDGBNAYDI-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573656856 947994903 /nfs/dbraw/zinc/99/49/03/947994903.db2.gz IUUYVZNEJBYKMD-QWHCGFSZSA-N -1 1 386.460 0.735 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573401453 947998231 /nfs/dbraw/zinc/99/82/31/947998231.db2.gz CIECROAFQSXUSW-QWHCGFSZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573401453 947998237 /nfs/dbraw/zinc/99/82/37/947998237.db2.gz CIECROAFQSXUSW-QWHCGFSZSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573657684 948003691 /nfs/dbraw/zinc/00/36/91/948003691.db2.gz ONQBLKQCOHQXDZ-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573657684 948003696 /nfs/dbraw/zinc/00/36/96/948003696.db2.gz ONQBLKQCOHQXDZ-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1-c1nn[n-]n1 ZINC000826344436 948006536 /nfs/dbraw/zinc/00/65/36/948006536.db2.gz HSUAAEXSGGJOAD-UHFFFAOYSA-N -1 1 397.395 0.396 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573658253 948006917 /nfs/dbraw/zinc/00/69/17/948006917.db2.gz RFXRMXFTEQUBBX-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573658253 948006922 /nfs/dbraw/zinc/00/69/22/948006922.db2.gz RFXRMXFTEQUBBX-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573658633 948010028 /nfs/dbraw/zinc/01/00/28/948010028.db2.gz SOXOEXORKJKNPS-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573658682 948010638 /nfs/dbraw/zinc/01/06/38/948010638.db2.gz SXDRDJCERHWUSZ-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573658682 948010647 /nfs/dbraw/zinc/01/06/47/948010647.db2.gz SXDRDJCERHWUSZ-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573658979 948011477 /nfs/dbraw/zinc/01/14/77/948011477.db2.gz UIMRGUPIAAHIDE-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573658979 948011490 /nfs/dbraw/zinc/01/14/90/948011490.db2.gz UIMRGUPIAAHIDE-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1-c1nnn[n-]1 ZINC000826344768 948014909 /nfs/dbraw/zinc/01/49/09/948014909.db2.gz RJQBPUMUBDHDPH-CYBMUJFWSA-N -1 1 385.384 0.606 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC000826344768 948014915 /nfs/dbraw/zinc/01/49/15/948014915.db2.gz RJQBPUMUBDHDPH-CYBMUJFWSA-N -1 1 385.384 0.606 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573404222 948018575 /nfs/dbraw/zinc/01/85/75/948018575.db2.gz AOJDMYFSFWEECV-SSDOTTSWSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573404222 948018584 /nfs/dbraw/zinc/01/85/84/948018584.db2.gz AOJDMYFSFWEECV-SSDOTTSWSA-N -1 1 386.869 0.762 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)c1-c1nnn[n-]1 ZINC000826345112 948019388 /nfs/dbraw/zinc/01/93/88/948019388.db2.gz CFOONKYEWNCMDO-LLVKDONJSA-N -1 1 377.430 0.228 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)c1-c1nn[n-]n1 ZINC000826345112 948019394 /nfs/dbraw/zinc/01/93/94/948019394.db2.gz CFOONKYEWNCMDO-LLVKDONJSA-N -1 1 377.430 0.228 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573660283 948020126 /nfs/dbraw/zinc/02/01/26/948020126.db2.gz ZDNOTGLWGTUWCG-SGTLLEGYSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573660283 948020130 /nfs/dbraw/zinc/02/01/30/948020130.db2.gz ZDNOTGLWGTUWCG-SGTLLEGYSA-N -1 1 379.428 0.940 20 0 GCADMM Cc1onc(CC(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826345305 948020507 /nfs/dbraw/zinc/02/05/07/948020507.db2.gz ILQAGJIHMPKUNQ-MRXNPFEDSA-N -1 1 389.803 0.876 20 0 GCADMM Cc1onc(CC(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826345305 948020519 /nfs/dbraw/zinc/02/05/19/948020519.db2.gz ILQAGJIHMPKUNQ-MRXNPFEDSA-N -1 1 389.803 0.876 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N[C@H](C)C(C)C)c1-c1nnn[n-]1 ZINC000826345989 948032404 /nfs/dbraw/zinc/03/24/04/948032404.db2.gz ZPJNJGWKQOEAEN-SKDRFNHKSA-N -1 1 393.473 0.768 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N[C@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000826345989 948032413 /nfs/dbraw/zinc/03/24/13/948032413.db2.gz ZPJNJGWKQOEAEN-SKDRFNHKSA-N -1 1 393.473 0.768 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826345998 948034034 /nfs/dbraw/zinc/03/40/34/948034034.db2.gz ZWXCSRKARBRTCD-QMMMGPOBSA-N -1 1 391.413 0.230 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826345998 948034042 /nfs/dbraw/zinc/03/40/42/948034042.db2.gz ZWXCSRKARBRTCD-QMMMGPOBSA-N -1 1 391.413 0.230 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1-c1nnn[n-]1 ZINC000826346251 948037876 /nfs/dbraw/zinc/03/78/76/948037876.db2.gz HOFJYJKZZNCAHV-QMMMGPOBSA-N -1 1 387.322 0.375 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1-c1nn[n-]n1 ZINC000826346251 948037884 /nfs/dbraw/zinc/03/78/84/948037884.db2.gz HOFJYJKZZNCAHV-QMMMGPOBSA-N -1 1 387.322 0.375 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573405253 948039675 /nfs/dbraw/zinc/03/96/75/948039675.db2.gz NNWSUJXJRZWNRP-GFCCVEGCSA-N -1 1 392.489 0.585 20 0 GCADMM C[C@H](C(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573663533 948040099 /nfs/dbraw/zinc/04/00/99/948040099.db2.gz NUUHODULZKRIJC-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1-c1nnn[n-]1 ZINC000826346653 948043827 /nfs/dbraw/zinc/04/38/27/948043827.db2.gz SCLYPYGOOOKVCB-NSHDSACASA-N -1 1 388.409 0.741 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1-c1nn[n-]n1 ZINC000826346653 948043838 /nfs/dbraw/zinc/04/38/38/948043838.db2.gz SCLYPYGOOOKVCB-NSHDSACASA-N -1 1 388.409 0.741 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573663833 948045052 /nfs/dbraw/zinc/04/50/52/948045052.db2.gz ARVVSESOQPFPEO-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573663833 948045060 /nfs/dbraw/zinc/04/50/60/948045060.db2.gz ARVVSESOQPFPEO-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573405707 948047346 /nfs/dbraw/zinc/04/73/46/948047346.db2.gz USZCMYMSJODQJI-ZETCQYMHSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)NC/C=C/CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573405756 948047570 /nfs/dbraw/zinc/04/75/70/948047570.db2.gz VWAUZWDGJFWCNN-ONEGZZNKSA-N -1 1 384.853 0.539 20 0 GCADMM CC(=O)N(C)CC(=O)NCCC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573405909 948048685 /nfs/dbraw/zinc/04/86/85/948048685.db2.gz YQPNCPJXESOYJH-UHFFFAOYSA-N -1 1 387.448 0.142 20 0 GCADMM CC(=O)N(C)CC(=O)NCCC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573405909 948048692 /nfs/dbraw/zinc/04/86/92/948048692.db2.gz YQPNCPJXESOYJH-UHFFFAOYSA-N -1 1 387.448 0.142 20 0 GCADMM Cc1onc(CC(=O)NCCCN2C(=O)COc3ccccc32)c1-c1nnn[n-]1 ZINC000826347292 948051223 /nfs/dbraw/zinc/05/12/23/948051223.db2.gz LXVREHYHFRAUSZ-UHFFFAOYSA-N -1 1 397.395 0.638 20 0 GCADMM Cc1onc(CC(=O)NCCCN2C(=O)COc3ccccc32)c1-c1nn[n-]n1 ZINC000826347292 948051229 /nfs/dbraw/zinc/05/12/29/948051229.db2.gz LXVREHYHFRAUSZ-UHFFFAOYSA-N -1 1 397.395 0.638 20 0 GCADMM Cc1onc(CC(=O)NCCCNC(=O)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826347629 948058018 /nfs/dbraw/zinc/05/80/18/948058018.db2.gz YDORFFMHTWUAEJ-UHFFFAOYSA-N -1 1 387.375 0.781 20 0 GCADMM Cc1onc(CC(=O)NCCCNC(=O)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826347629 948058026 /nfs/dbraw/zinc/05/80/26/948058026.db2.gz YDORFFMHTWUAEJ-UHFFFAOYSA-N -1 1 387.375 0.781 20 0 GCADMM Cc1onc(CC(=O)NCc2cccnc2N2CCOCC2)c1-c1nn[n-]n1 ZINC000826347892 948062766 /nfs/dbraw/zinc/06/27/66/948062766.db2.gz KPUPZZWNQKXBMQ-UHFFFAOYSA-N -1 1 384.400 0.254 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573665327 948071677 /nfs/dbraw/zinc/07/16/77/948071677.db2.gz KSBANJUUUMCBBI-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573665327 948071688 /nfs/dbraw/zinc/07/16/88/948071688.db2.gz KSBANJUUUMCBBI-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573414083 948088825 /nfs/dbraw/zinc/08/88/25/948088825.db2.gz HDXMOEVFIBFVET-UHFFFAOYSA-N -1 1 392.489 0.395 20 0 GCADMM Cc1onc(CC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1-c1nnn[n-]1 ZINC000826349182 948090702 /nfs/dbraw/zinc/09/07/02/948090702.db2.gz YCSQEQOOMFHENX-UHFFFAOYSA-N -1 1 399.396 0.895 20 0 GCADMM Cc1onc(CC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1-c1nn[n-]n1 ZINC000826349182 948090712 /nfs/dbraw/zinc/09/07/12/948090712.db2.gz YCSQEQOOMFHENX-UHFFFAOYSA-N -1 1 399.396 0.895 20 0 GCADMM CC(=O)N(Cc1ccccc1)[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573414297 948092364 /nfs/dbraw/zinc/09/23/64/948092364.db2.gz JXLFDTZSYYSCBB-HUUCEWRRSA-N -1 1 380.412 0.255 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573414304 948093091 /nfs/dbraw/zinc/09/30/91/948093091.db2.gz KDCOATMAAOHWRM-UHFFFAOYSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573414304 948093100 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390.473 0.147 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)n1 ZINC000826356918 948111073 /nfs/dbraw/zinc/11/10/73/948111073.db2.gz KTXNEALCMYDNSI-SNVBAGLBSA-N -1 1 383.420 0.938 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)n1 ZINC000826356918 948111076 /nfs/dbraw/zinc/11/10/76/948111076.db2.gz KTXNEALCMYDNSI-SNVBAGLBSA-N -1 1 383.420 0.938 20 0 GCADMM Cn1c(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)nnc1C(F)F ZINC000826356449 948111236 /nfs/dbraw/zinc/11/12/36/948111236.db2.gz RDXYLVRANQJMAF-UHFFFAOYSA-N -1 1 380.344 0.973 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C(C)(C)C)C1 ZINC001573418141 948114396 /nfs/dbraw/zinc/11/43/96/948114396.db2.gz CZQADATXAABCNZ-GFCCVEGCSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C(C)(C)C)C1 ZINC001573418141 948114399 /nfs/dbraw/zinc/11/43/99/948114399.db2.gz CZQADATXAABCNZ-GFCCVEGCSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001573673797 948115365 /nfs/dbraw/zinc/11/53/65/948115365.db2.gz LHNJTJOGYQJART-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573673797 948115371 /nfs/dbraw/zinc/11/53/71/948115371.db2.gz LHNJTJOGYQJART-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573418278 948117447 /nfs/dbraw/zinc/11/74/47/948117447.db2.gz FUKLVWGYMFQOKU-JGVFFNPUSA-N -1 1 378.462 0.415 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)CC(C)C)C1 ZINC001573419158 948121396 /nfs/dbraw/zinc/12/13/96/948121396.db2.gz KKIJAKGWCVYCBQ-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)CC(C)C)C1 ZINC001573419158 948121401 /nfs/dbraw/zinc/12/14/01/948121401.db2.gz KKIJAKGWCVYCBQ-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)=C1CCCC1 ZINC001573676193 948124506 /nfs/dbraw/zinc/12/45/06/948124506.db2.gz SKMYEUKMGFIYCO-DZGCQCFKSA-N -1 1 384.444 0.603 20 0 GCADMM CC(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)=C1CCCC1 ZINC001573676193 948124513 /nfs/dbraw/zinc/12/45/13/948124513.db2.gz SKMYEUKMGFIYCO-DZGCQCFKSA-N -1 1 384.444 0.603 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573419764 948127337 /nfs/dbraw/zinc/12/73/37/948127337.db2.gz RJOCKBQSXGXMOL-QMMMGPOBSA-N -1 1 378.462 0.051 20 0 GCADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cccn1 ZINC001573677008 948131255 /nfs/dbraw/zinc/13/12/55/948131255.db2.gz BPNNBVZSTIHNNF-YPMHNXCESA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cccn1 ZINC001573677008 948131261 /nfs/dbraw/zinc/13/12/61/948131261.db2.gz BPNNBVZSTIHNNF-YPMHNXCESA-N -1 1 382.432 0.445 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)CC(C)C)C1 ZINC001573419937 948132445 /nfs/dbraw/zinc/13/24/45/948132445.db2.gz WBQWSIWIEYTYNZ-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)CC(C)C)C1 ZINC001573419937 948132450 /nfs/dbraw/zinc/13/24/50/948132450.db2.gz WBQWSIWIEYTYNZ-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC(C)C)C1 ZINC001573419938 948133248 /nfs/dbraw/zinc/13/32/48/948133248.db2.gz WBQWSIWIEYTYNZ-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC(C)C)C1 ZINC001573419938 948133254 /nfs/dbraw/zinc/13/32/54/948133254.db2.gz WBQWSIWIEYTYNZ-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573422211 948140379 /nfs/dbraw/zinc/14/03/79/948140379.db2.gz IQCZEGMVFMTDPF-UMSPYCQHSA-N -1 1 390.473 0.417 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573425930 948153016 /nfs/dbraw/zinc/15/30/16/948153016.db2.gz FKIRBSJVWFLOBT-PRHODGIISA-N -1 1 390.473 0.051 20 0 GCADMM CC(=O)N1C[C@@H](C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)Oc2ccccc21 ZINC001573427160 948161736 /nfs/dbraw/zinc/16/17/36/948161736.db2.gz TZLRGVCSBYWPAI-ZDUSSCGKSA-N -1 1 382.384 0.661 20 0 GCADMM CC(=O)N1C[C@@H](C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)Oc2ccccc21 ZINC001573427160 948161739 /nfs/dbraw/zinc/16/17/39/948161739.db2.gz TZLRGVCSBYWPAI-ZDUSSCGKSA-N -1 1 382.384 0.661 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)n1cccn1 ZINC001573679638 948164604 /nfs/dbraw/zinc/16/46/04/948164604.db2.gz MKIUZLQREZTLLR-AAEUAGOBSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)n1cccn1 ZINC001573679638 948164610 /nfs/dbraw/zinc/16/46/10/948164610.db2.gz MKIUZLQREZTLLR-AAEUAGOBSA-N -1 1 382.432 0.445 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573679981 948169774 /nfs/dbraw/zinc/16/97/74/948169774.db2.gz KQAQWSGCUMUDQH-JSGCOSHPSA-N -1 1 381.444 0.830 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573429350 948169730 /nfs/dbraw/zinc/16/97/30/948169730.db2.gz HGZPEAIIIONNPN-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573429350 948169738 /nfs/dbraw/zinc/16/97/38/948169738.db2.gz HGZPEAIIIONNPN-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573429024 948170105 /nfs/dbraw/zinc/17/01/05/948170105.db2.gz GICVRRJEFOZDDZ-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573429024 948170112 /nfs/dbraw/zinc/17/01/12/948170112.db2.gz GICVRRJEFOZDDZ-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573680316 948177267 /nfs/dbraw/zinc/17/72/67/948177267.db2.gz MYJUSGMGUGVBCI-BXUZGUMPSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573680316 948177274 /nfs/dbraw/zinc/17/72/74/948177274.db2.gz MYJUSGMGUGVBCI-BXUZGUMPSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573680319 948177580 /nfs/dbraw/zinc/17/75/80/948177580.db2.gz MYJUSGMGUGVBCI-SMDDNHRTSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573680319 948177583 /nfs/dbraw/zinc/17/75/83/948177583.db2.gz MYJUSGMGUGVBCI-SMDDNHRTSA-N -1 1 384.448 0.747 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573431597 948181205 /nfs/dbraw/zinc/18/12/05/948181205.db2.gz XPLZUVRSJBBRLJ-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573431597 948181208 /nfs/dbraw/zinc/18/12/08/948181208.db2.gz XPLZUVRSJBBRLJ-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573431858 948182040 /nfs/dbraw/zinc/18/20/40/948182040.db2.gz AGUAYLUMISCDKE-MRXNPFEDSA-N -1 1 392.489 0.443 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573431931 948183564 /nfs/dbraw/zinc/18/35/64/948183564.db2.gz BYYWVUXYIVTBBI-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573431931 948183574 /nfs/dbraw/zinc/18/35/74/948183574.db2.gz BYYWVUXYIVTBBI-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cnn(C)c1 ZINC001573680800 948188365 /nfs/dbraw/zinc/18/83/65/948188365.db2.gz PYLKQALHXDKKQU-GWCFXTLKSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573680800 948188371 /nfs/dbraw/zinc/18/83/71/948188371.db2.gz PYLKQALHXDKKQU-GWCFXTLKSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NCC(=O)c1ccc(F)cc1Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001573681361 948200926 /nfs/dbraw/zinc/20/09/26/948200926.db2.gz WKVUJBBFSUMOMO-ZETCQYMHSA-N -1 1 378.755 0.811 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573434143 948207529 /nfs/dbraw/zinc/20/75/29/948207529.db2.gz OERCALNPHXXJMM-GTNSWQLSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573434143 948207538 /nfs/dbraw/zinc/20/75/38/948207538.db2.gz OERCALNPHXXJMM-GTNSWQLSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573434145 948208605 /nfs/dbraw/zinc/20/86/05/948208605.db2.gz OERCALNPHXXJMM-PIGZYNQJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573434145 948208612 /nfs/dbraw/zinc/20/86/12/948208612.db2.gz OERCALNPHXXJMM-PIGZYNQJSA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCC1 ZINC001573689925 948220572 /nfs/dbraw/zinc/22/05/72/948220572.db2.gz AMNVHNSCUYVEND-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCC1 ZINC001573689925 948220579 /nfs/dbraw/zinc/22/05/79/948220579.db2.gz AMNVHNSCUYVEND-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCC1 ZINC001573689924 948220922 /nfs/dbraw/zinc/22/09/22/948220922.db2.gz AMNVHNSCUYVEND-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCC1 ZINC001573689924 948220930 /nfs/dbraw/zinc/22/09/30/948220930.db2.gz AMNVHNSCUYVEND-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573435006 948224558 /nfs/dbraw/zinc/22/45/58/948224558.db2.gz UUOFGQANOOMVSN-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573435006 948224564 /nfs/dbraw/zinc/22/45/64/948224564.db2.gz UUOFGQANOOMVSN-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cccn1 ZINC001573690787 948230629 /nfs/dbraw/zinc/23/06/29/948230629.db2.gz BHTGDIOYAMVYGL-LBPRGKRZSA-N -1 1 382.432 0.377 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573438415 948234466 /nfs/dbraw/zinc/23/44/66/948234466.db2.gz AECOLRHNSRKCNV-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573438415 948234475 /nfs/dbraw/zinc/23/44/75/948234475.db2.gz AECOLRHNSRKCNV-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439009 948242465 /nfs/dbraw/zinc/24/24/65/948242465.db2.gz IBFZBQLDBISHEN-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439009 948242474 /nfs/dbraw/zinc/24/24/74/948242474.db2.gz IBFZBQLDBISHEN-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573691881 948250546 /nfs/dbraw/zinc/25/05/46/948250546.db2.gz JNJGNVFJEHXEGX-QWHCGFSZSA-N -1 1 386.460 0.735 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573439724 948251262 /nfs/dbraw/zinc/25/12/62/948251262.db2.gz QGZVNFPSUIEUFF-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573439724 948251270 /nfs/dbraw/zinc/25/12/70/948251270.db2.gz QGZVNFPSUIEUFF-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439972 948259534 /nfs/dbraw/zinc/25/95/34/948259534.db2.gz XOWSRLYIBFNSIX-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439972 948259540 /nfs/dbraw/zinc/25/95/40/948259540.db2.gz XOWSRLYIBFNSIX-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692587 948267839 /nfs/dbraw/zinc/26/78/39/948267839.db2.gz QUUDXTMMYGJPCD-WDEREUQCSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573692587 948267848 /nfs/dbraw/zinc/26/78/48/948267848.db2.gz QUUDXTMMYGJPCD-WDEREUQCSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000826425127 948273545 /nfs/dbraw/zinc/27/35/45/948273545.db2.gz QPOCDWKFLTVIEA-UHFFFAOYSA-N -1 1 394.395 0.545 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000826425184 948275294 /nfs/dbraw/zinc/27/52/94/948275294.db2.gz SNLUPXJJPZFHBD-SNVBAGLBSA-N -1 1 382.306 0.327 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573693268 948279211 /nfs/dbraw/zinc/27/92/11/948279211.db2.gz SCZYEYJMEOEIOE-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573693268 948279219 /nfs/dbraw/zinc/27/92/19/948279219.db2.gz SCZYEYJMEOEIOE-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cccc1 ZINC001573693301 948280084 /nfs/dbraw/zinc/28/00/84/948280084.db2.gz WFQRYWXBKZLHTO-CYBMUJFWSA-N -1 1 381.444 0.982 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573442018 948283357 /nfs/dbraw/zinc/28/33/57/948283357.db2.gz QGKPLGRQTWZJIY-BXKDBHETSA-N -1 1 392.489 0.901 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001573693880 948289323 /nfs/dbraw/zinc/28/93/23/948289323.db2.gz UYELNETVZOPXAK-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001573693880 948289332 /nfs/dbraw/zinc/28/93/32/948289332.db2.gz UYELNETVZOPXAK-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001573694267 948292599 /nfs/dbraw/zinc/29/25/99/948292599.db2.gz CAFNIIWMTNFHEV-AAEUAGOBSA-N -1 1 392.485 0.406 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573694444 948293704 /nfs/dbraw/zinc/29/37/04/948293704.db2.gz VQBBXZOTSTWXOC-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573695155 948301551 /nfs/dbraw/zinc/30/15/51/948301551.db2.gz FFJXMAVBLLXBAA-PIGZYNQJSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573695155 948301559 /nfs/dbraw/zinc/30/15/59/948301559.db2.gz FFJXMAVBLLXBAA-PIGZYNQJSA-N -1 1 384.400 0.111 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573442958 948303901 /nfs/dbraw/zinc/30/39/01/948303901.db2.gz KTQGEFGATZPEIG-DGCLKSJQSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573442958 948303907 /nfs/dbraw/zinc/30/39/07/948303907.db2.gz KTQGEFGATZPEIG-DGCLKSJQSA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573696183 948318338 /nfs/dbraw/zinc/31/83/38/948318338.db2.gz LUWOPONWKPKRHM-VFZGTOFNSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573696183 948318347 /nfs/dbraw/zinc/31/83/47/948318347.db2.gz LUWOPONWKPKRHM-VFZGTOFNSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573445032 948319097 /nfs/dbraw/zinc/31/90/97/948319097.db2.gz WZFRMCNYYVXHBU-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573445032 948319103 /nfs/dbraw/zinc/31/91/03/948319103.db2.gz WZFRMCNYYVXHBU-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573445033 948320648 /nfs/dbraw/zinc/32/06/48/948320648.db2.gz WZFRMCNYYVXHBU-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573445033 948320658 /nfs/dbraw/zinc/32/06/58/948320658.db2.gz WZFRMCNYYVXHBU-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573446290 948326557 /nfs/dbraw/zinc/32/65/57/948326557.db2.gz CXVZJIFYWVAMFA-ORHYLEIMSA-N -1 1 385.432 0.069 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573446290 948326567 /nfs/dbraw/zinc/32/65/67/948326567.db2.gz CXVZJIFYWVAMFA-ORHYLEIMSA-N -1 1 385.432 0.069 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001573696733 948332356 /nfs/dbraw/zinc/33/23/56/948332356.db2.gz WOWBBEUPAXKFGT-SYQHCUMBSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573696830 948334942 /nfs/dbraw/zinc/33/49/42/948334942.db2.gz XPWFGQAGXQCQGT-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573696831 948336284 /nfs/dbraw/zinc/33/62/84/948336284.db2.gz XPWFGQAGXQCQGT-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573447095 948340281 /nfs/dbraw/zinc/34/02/81/948340281.db2.gz VCUDGWUBCODNEM-BXKDBHETSA-N -1 1 392.489 0.949 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573703677 948357843 /nfs/dbraw/zinc/35/78/43/948357843.db2.gz LYGFJADSFOBVQW-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573703677 948357850 /nfs/dbraw/zinc/35/78/50/948357850.db2.gz LYGFJADSFOBVQW-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573704605 948378889 /nfs/dbraw/zinc/37/88/89/948378889.db2.gz TVRJAJIPSOFIGD-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573704605 948378898 /nfs/dbraw/zinc/37/88/98/948378898.db2.gz TVRJAJIPSOFIGD-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573704751 948383257 /nfs/dbraw/zinc/38/32/57/948383257.db2.gz DLJGRFFBAWLBRM-CHWSQXEVSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573704751 948383263 /nfs/dbraw/zinc/38/32/63/948383263.db2.gz DLJGRFFBAWLBRM-CHWSQXEVSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573704968 948386951 /nfs/dbraw/zinc/38/69/51/948386951.db2.gz FMJYWLOFOKMPEY-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573705022 948389571 /nfs/dbraw/zinc/38/95/71/948389571.db2.gz VEFFPATZVABKDY-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CCC(=O)NC1=O ZINC000826479685 948391818 /nfs/dbraw/zinc/39/18/18/948391818.db2.gz FRXDYELVPTVVPG-VIFPVBQESA-N -1 1 399.346 0.118 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573705097 948391912 /nfs/dbraw/zinc/39/19/12/948391912.db2.gz FSZLXZUGTQGNFN-RYUDHWBXSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573705544 948403664 /nfs/dbraw/zinc/40/36/64/948403664.db2.gz FZSGVMZRNSIKGL-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573706096 948411372 /nfs/dbraw/zinc/41/13/72/948411372.db2.gz JQTOYPCBBWJCTK-NEPJUHHUSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573706096 948411375 /nfs/dbraw/zinc/41/13/75/948411375.db2.gz JQTOYPCBBWJCTK-NEPJUHHUSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NCC[C@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[n-]n2)n1 ZINC001573706011 948411825 /nfs/dbraw/zinc/41/18/25/948411825.db2.gz HZEXFPRZCMCXIP-CHWSQXEVSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573706616 948421113 /nfs/dbraw/zinc/42/11/13/948421113.db2.gz JQRVUVCTASLWMB-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573706616 948421116 /nfs/dbraw/zinc/42/11/16/948421116.db2.gz JQRVUVCTASLWMB-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573706638 948422396 /nfs/dbraw/zinc/42/23/96/948422396.db2.gz JYSGMLXCRUNIDC-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573706638 948422398 /nfs/dbraw/zinc/42/23/98/948422398.db2.gz JYSGMLXCRUNIDC-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573706713 948422407 /nfs/dbraw/zinc/42/24/07/948422407.db2.gz KYDFJZQUKLSEGS-GFCCVEGCSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573706713 948422412 /nfs/dbraw/zinc/42/24/12/948422412.db2.gz KYDFJZQUKLSEGS-GFCCVEGCSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573706750 948424259 /nfs/dbraw/zinc/42/42/59/948424259.db2.gz LUNYSBRXTBOLDG-STQMWFEESA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573706741 948425299 /nfs/dbraw/zinc/42/52/99/948425299.db2.gz LUNYSBRXTBOLDG-CHWSQXEVSA-N -1 1 379.428 0.798 20 0 GCADMM CC(C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)=C1CCC1 ZINC001573706907 948426588 /nfs/dbraw/zinc/42/65/88/948426588.db2.gz LNYDXDCKYRYTCV-CQSZACIVSA-N -1 1 384.444 0.869 20 0 GCADMM CC(C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)=C1CCC1 ZINC001573706907 948426594 /nfs/dbraw/zinc/42/65/94/948426594.db2.gz LNYDXDCKYRYTCV-CQSZACIVSA-N -1 1 384.444 0.869 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573707414 948432476 /nfs/dbraw/zinc/43/24/76/948432476.db2.gz NQBCQOYQBWMZHP-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573707414 948432486 /nfs/dbraw/zinc/43/24/86/948432486.db2.gz NQBCQOYQBWMZHP-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573707484 948433270 /nfs/dbraw/zinc/43/32/70/948433270.db2.gz PJKIUYGYOWZDQU-NWDGAFQWSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573707484 948433276 /nfs/dbraw/zinc/43/32/76/948433276.db2.gz PJKIUYGYOWZDQU-NWDGAFQWSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573707984 948441335 /nfs/dbraw/zinc/44/13/35/948441335.db2.gz QMSKYUGIPUVPGF-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573707984 948441340 /nfs/dbraw/zinc/44/13/40/948441340.db2.gz QMSKYUGIPUVPGF-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573708112 948442390 /nfs/dbraw/zinc/44/23/90/948442390.db2.gz RPVWTEFCOJVEFC-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573708112 948442394 /nfs/dbraw/zinc/44/23/94/948442394.db2.gz RPVWTEFCOJVEFC-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573708116 948442879 /nfs/dbraw/zinc/44/28/79/948442879.db2.gz RPVWTEFCOJVEFC-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573708116 948442884 /nfs/dbraw/zinc/44/28/84/948442884.db2.gz RPVWTEFCOJVEFC-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573708530 948451421 /nfs/dbraw/zinc/45/14/21/948451421.db2.gz WITVDXUPALVBTK-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573708530 948451423 /nfs/dbraw/zinc/45/14/23/948451423.db2.gz WITVDXUPALVBTK-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573708529 948451942 /nfs/dbraw/zinc/45/19/42/948451942.db2.gz WITVDXUPALVBTK-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573708529 948451961 /nfs/dbraw/zinc/45/19/61/948451961.db2.gz WITVDXUPALVBTK-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573708850 948459857 /nfs/dbraw/zinc/45/98/57/948459857.db2.gz XWCHRFYMTUDFKG-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573714512 948472375 /nfs/dbraw/zinc/47/23/75/948472375.db2.gz HKJTUEYBJNRYEY-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)N(C)CC(F)(F)F ZINC001573717001 948504276 /nfs/dbraw/zinc/50/42/76/948504276.db2.gz AKSWALGVRKHOHR-VIFPVBQESA-N -1 1 387.370 0.092 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)N(C)CC(F)(F)F ZINC001573717001 948504280 /nfs/dbraw/zinc/50/42/80/948504280.db2.gz AKSWALGVRKHOHR-VIFPVBQESA-N -1 1 387.370 0.092 20 0 GCADMM C[C@H](C(=O)NCCOCCN(C)c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573717774 948509932 /nfs/dbraw/zinc/50/99/32/948509932.db2.gz NFYBWAIQNGLZFA-SNVBAGLBSA-N -1 1 384.391 0.517 20 0 GCADMM C[C@H](C(=O)NCCOCCN(C)c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573717774 948509938 /nfs/dbraw/zinc/50/99/38/948509938.db2.gz NFYBWAIQNGLZFA-SNVBAGLBSA-N -1 1 384.391 0.517 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)N(C)CC(F)(F)F ZINC001573720720 948534831 /nfs/dbraw/zinc/53/48/31/948534831.db2.gz SGPGABGQKGKBFQ-VIFPVBQESA-N -1 1 387.370 0.092 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)N(C)CC(F)(F)F ZINC001573720720 948534850 /nfs/dbraw/zinc/53/48/50/948534850.db2.gz SGPGABGQKGKBFQ-VIFPVBQESA-N -1 1 387.370 0.092 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573721604 948542627 /nfs/dbraw/zinc/54/26/27/948542627.db2.gz ZHBICLJEGRXYDL-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573726013 948547717 /nfs/dbraw/zinc/54/77/17/948547717.db2.gz FVTMUPBBZXOKDF-GMXVVIOVSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573726013 948547726 /nfs/dbraw/zinc/54/77/26/948547726.db2.gz FVTMUPBBZXOKDF-GMXVVIOVSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)n1cccc1 ZINC001573728798 948563331 /nfs/dbraw/zinc/56/33/31/948563331.db2.gz RBYSSLDAWDGNOC-HZSPNIEDSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccc1 ZINC001573728798 948563343 /nfs/dbraw/zinc/56/33/43/948563343.db2.gz RBYSSLDAWDGNOC-HZSPNIEDSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573729935 948573973 /nfs/dbraw/zinc/57/39/73/948573973.db2.gz WVYCJJTWXPQMHZ-RWMBFGLXSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573736478 948615780 /nfs/dbraw/zinc/61/57/80/948615780.db2.gz XFBDETAVAWTYAE-JHJVBQTASA-N -1 1 382.432 0.376 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573741111 948650392 /nfs/dbraw/zinc/65/03/92/948650392.db2.gz XXIURJIWAGKMOU-GBOPCIDUSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573741111 948650395 /nfs/dbraw/zinc/65/03/95/948650395.db2.gz XXIURJIWAGKMOU-GBOPCIDUSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccsc1 ZINC001573741165 948650859 /nfs/dbraw/zinc/65/08/59/948650859.db2.gz UNESSRVBPJZGKS-MVWJERBFSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccsc1 ZINC001573741166 948651585 /nfs/dbraw/zinc/65/15/85/948651585.db2.gz UNESSRVBPJZGKS-WCQGTBRESA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573741618 948657809 /nfs/dbraw/zinc/65/78/09/948657809.db2.gz DXFBYDGKWBMRIZ-BDAKNGLRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573741618 948657815 /nfs/dbraw/zinc/65/78/15/948657815.db2.gz DXFBYDGKWBMRIZ-BDAKNGLRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573747845 948692672 /nfs/dbraw/zinc/69/26/72/948692672.db2.gz XOUFJPGHTNAWMC-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573747845 948692679 /nfs/dbraw/zinc/69/26/79/948692679.db2.gz XOUFJPGHTNAWMC-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573751915 948707637 /nfs/dbraw/zinc/70/76/37/948707637.db2.gz HTPAYPKAZMGPPB-RNJOBUHISA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573753006 948716394 /nfs/dbraw/zinc/71/63/94/948716394.db2.gz QFMHYQQLQCCPAK-XFMPKHEZSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573753006 948716401 /nfs/dbraw/zinc/71/64/01/948716401.db2.gz QFMHYQQLQCCPAK-XFMPKHEZSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001573754023 948725546 /nfs/dbraw/zinc/72/55/46/948725546.db2.gz AWNKPTYIHGGGAV-VIFPVBQESA-N -1 1 390.429 0.582 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574914305 948748055 /nfs/dbraw/zinc/74/80/55/948748055.db2.gz IEDZNFNMFCZCJP-LLVKDONJSA-N -1 1 383.416 0.331 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574914305 948748068 /nfs/dbraw/zinc/74/80/68/948748068.db2.gz IEDZNFNMFCZCJP-LLVKDONJSA-N -1 1 383.416 0.331 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nn(C)cc1Cl ZINC001574678517 948752711 /nfs/dbraw/zinc/75/27/11/948752711.db2.gz GNWOKHPIVPSHPA-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nn(C)cc1Cl ZINC001574678517 948752723 /nfs/dbraw/zinc/75/27/23/948752723.db2.gz GNWOKHPIVPSHPA-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574416689 948754905 /nfs/dbraw/zinc/75/49/05/948754905.db2.gz DIMLRVGTKIBILP-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574416689 948754914 /nfs/dbraw/zinc/75/49/14/948754914.db2.gz DIMLRVGTKIBILP-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574678698 948756421 /nfs/dbraw/zinc/75/64/21/948756421.db2.gz IDOBMOINQGRTRS-NWDGAFQWSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574678698 948756433 /nfs/dbraw/zinc/75/64/33/948756433.db2.gz IDOBMOINQGRTRS-NWDGAFQWSA-N -1 1 383.416 0.826 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575223268 948761562 /nfs/dbraw/zinc/76/15/62/948761562.db2.gz MMJMXZPLHBKKEV-JTQLQIEISA-N -1 1 378.387 0.821 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574679196 948770898 /nfs/dbraw/zinc/77/08/98/948770898.db2.gz PXQMTUAIFQBGKE-JTQLQIEISA-N -1 1 382.432 0.879 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574915835 948771122 /nfs/dbraw/zinc/77/11/22/948771122.db2.gz XSVRKZZATRDBFQ-NSHDSACASA-N -1 1 383.416 0.331 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574915835 948771133 /nfs/dbraw/zinc/77/11/33/948771133.db2.gz XSVRKZZATRDBFQ-NSHDSACASA-N -1 1 383.416 0.331 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001574679421 948780472 /nfs/dbraw/zinc/78/04/72/948780472.db2.gz UYRVWOUEOOYBEK-VXGBXAGGSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001574679421 948780482 /nfs/dbraw/zinc/78/04/82/948780482.db2.gz UYRVWOUEOOYBEK-VXGBXAGGSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679418 948781242 /nfs/dbraw/zinc/78/12/42/948781242.db2.gz UYRVWOUEOOYBEK-NEPJUHHUSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679418 948781253 /nfs/dbraw/zinc/78/12/53/948781253.db2.gz UYRVWOUEOOYBEK-NEPJUHHUSA-N -1 1 384.448 0.576 20 0 GCADMM CC(F)(F)C1(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224345 948785204 /nfs/dbraw/zinc/78/52/04/948785204.db2.gz UUARGDAKLPNOIW-SNVBAGLBSA-N -1 1 378.387 0.774 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574419722 948790938 /nfs/dbraw/zinc/79/09/38/948790938.db2.gz JPLCQMNTEPPHCE-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574419722 948790952 /nfs/dbraw/zinc/79/09/52/948790952.db2.gz JPLCQMNTEPPHCE-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574679655 948791147 /nfs/dbraw/zinc/79/11/47/948791147.db2.gz ZVKNHBFXUIPZMQ-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574679655 948791162 /nfs/dbraw/zinc/79/11/62/948791162.db2.gz ZVKNHBFXUIPZMQ-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001574080460 948792231 /nfs/dbraw/zinc/79/22/31/948792231.db2.gz LIXHXUJAPVSRIO-BXUZGUMPSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001574080460 948792238 /nfs/dbraw/zinc/79/22/38/948792238.db2.gz LIXHXUJAPVSRIO-BXUZGUMPSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574420218 948793050 /nfs/dbraw/zinc/79/30/50/948793050.db2.gz QTNNZJCRIIPNRI-LBPRGKRZSA-N -1 1 382.428 0.405 20 0 GCADMM CC(C)[C@H](F)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001574080461 948794573 /nfs/dbraw/zinc/79/45/73/948794573.db2.gz LIXHXUJAPVSRIO-FZMZJTMJSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)[C@H](F)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001574080461 948794587 /nfs/dbraw/zinc/79/45/87/948794587.db2.gz LIXHXUJAPVSRIO-FZMZJTMJSA-N -1 1 378.412 0.362 20 0 GCADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cccnc1 ZINC001573756184 948801330 /nfs/dbraw/zinc/80/13/30/948801330.db2.gz NIEFJLRZSCGIPH-CNXAATOLSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cccnc1 ZINC001573756184 948801332 /nfs/dbraw/zinc/80/13/32/948801332.db2.gz NIEFJLRZSCGIPH-CNXAATOLSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574680439 948805015 /nfs/dbraw/zinc/80/50/15/948805015.db2.gz GZXYERYGTSXMIU-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574680439 948805032 /nfs/dbraw/zinc/80/50/32/948805032.db2.gz GZXYERYGTSXMIU-JTQLQIEISA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574680329 948805206 /nfs/dbraw/zinc/80/52/06/948805206.db2.gz GBTQZPOFJDVEMY-NHYWBVRUSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574680329 948805224 /nfs/dbraw/zinc/80/52/24/948805224.db2.gz GBTQZPOFJDVEMY-NHYWBVRUSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001574680869 948808229 /nfs/dbraw/zinc/80/82/29/948808229.db2.gz JHNDZEIEWGBGGZ-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001574680869 948808250 /nfs/dbraw/zinc/80/82/50/948808250.db2.gz JHNDZEIEWGBGGZ-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574680969 948812283 /nfs/dbraw/zinc/81/22/83/948812283.db2.gz KYMMQYAVISQUEB-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574680969 948812299 /nfs/dbraw/zinc/81/22/99/948812299.db2.gz KYMMQYAVISQUEB-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)c1ccoc1C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574421096 948812540 /nfs/dbraw/zinc/81/25/40/948812540.db2.gz GPBWIDRAJBXFHG-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM CC(C)c1ccoc1C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574421096 948812559 /nfs/dbraw/zinc/81/25/59/948812559.db2.gz GPBWIDRAJBXFHG-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574681371 948818563 /nfs/dbraw/zinc/81/85/63/948818563.db2.gz MHOZPWFCLSUIAD-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574681371 948818579 /nfs/dbraw/zinc/81/85/79/948818579.db2.gz MHOZPWFCLSUIAD-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574681370 948820443 /nfs/dbraw/zinc/82/04/43/948820443.db2.gz MHOZPWFCLSUIAD-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574681370 948820464 /nfs/dbraw/zinc/82/04/64/948820464.db2.gz MHOZPWFCLSUIAD-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574682155 948826521 /nfs/dbraw/zinc/82/65/21/948826521.db2.gz PBZLAGKBXKUKRQ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574682155 948826539 /nfs/dbraw/zinc/82/65/39/948826539.db2.gz PBZLAGKBXKUKRQ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc2[nH]cnc2c1 ZINC001574682849 948833337 /nfs/dbraw/zinc/83/33/37/948833337.db2.gz RTZMNCCRHGATFU-VIFPVBQESA-N -1 1 379.388 0.549 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc2[nH]cnc2c1 ZINC001574682849 948833369 /nfs/dbraw/zinc/83/33/69/948833369.db2.gz RTZMNCCRHGATFU-VIFPVBQESA-N -1 1 379.388 0.549 20 0 GCADMM CC(C)c1csc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001574424141 948842993 /nfs/dbraw/zinc/84/29/93/948842993.db2.gz GCNOGSXMKMMWFS-UHFFFAOYSA-N -1 1 376.402 0.025 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574683240 948847022 /nfs/dbraw/zinc/84/70/22/948847022.db2.gz WIXGWFVTYMYJDM-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574683240 948847035 /nfs/dbraw/zinc/84/70/35/948847035.db2.gz WIXGWFVTYMYJDM-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM CC(C)(C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573762000 948848927 /nfs/dbraw/zinc/84/89/27/948848927.db2.gz NUSDKHVYLZVBHD-UHFFFAOYSA-N -1 1 388.354 0.478 20 0 GCADMM CC(C)(C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573762000 948848945 /nfs/dbraw/zinc/84/89/45/948848945.db2.gz NUSDKHVYLZVBHD-UHFFFAOYSA-N -1 1 388.354 0.478 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)CCCC(N)=O ZINC001574684046 948856646 /nfs/dbraw/zinc/85/66/46/948856646.db2.gz ANVSRYPOLMQBFN-SSDOTTSWSA-N -1 1 386.869 0.939 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)CCCC(N)=O ZINC001574684046 948856664 /nfs/dbraw/zinc/85/66/64/948856664.db2.gz ANVSRYPOLMQBFN-SSDOTTSWSA-N -1 1 386.869 0.939 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1COC(=O)N1 ZINC001574684399 948863309 /nfs/dbraw/zinc/86/33/09/948863309.db2.gz FRQJWYSNINQIIE-NTSWFWBYSA-N -1 1 386.825 0.392 20 0 GCADMM CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001573763157 948869532 /nfs/dbraw/zinc/86/95/32/948869532.db2.gz CBYDTMWAXBFHHG-ZDUSSCGKSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H](C)NC(N)=O ZINC001574684546 948874449 /nfs/dbraw/zinc/87/44/49/948874449.db2.gz IBJDZTDQAXSHLZ-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H](C)NC(N)=O ZINC001574684546 948874469 /nfs/dbraw/zinc/87/44/69/948874469.db2.gz IBJDZTDQAXSHLZ-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1COCCO1 ZINC001574684652 948875915 /nfs/dbraw/zinc/87/59/15/948875915.db2.gz KCEQLGQVKCXNSQ-HTQZYQBOSA-N -1 1 387.853 0.699 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574425466 948876577 /nfs/dbraw/zinc/87/65/77/948876577.db2.gz FKTLUOOOEASUSX-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574425466 948876594 /nfs/dbraw/zinc/87/65/94/948876594.db2.gz FKTLUOOOEASUSX-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575232595 948878236 /nfs/dbraw/zinc/87/82/36/948878236.db2.gz FJKNVVUWKKDWHP-UHFFFAOYSA-N -1 1 382.375 0.201 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)CCCC(N)=O ZINC001574684669 948879653 /nfs/dbraw/zinc/87/96/53/948879653.db2.gz KLACOPQIVDATFJ-ZETCQYMHSA-N -1 1 386.869 0.939 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001575233462 948882720 /nfs/dbraw/zinc/88/27/20/948882720.db2.gz ITCGYEXYSDUPCP-AWEZNQCLSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001575233462 948882737 /nfs/dbraw/zinc/88/27/37/948882737.db2.gz ITCGYEXYSDUPCP-AWEZNQCLSA-N -1 1 382.375 0.414 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H](C)CC(N)=O ZINC001574684868 948890908 /nfs/dbraw/zinc/89/09/08/948890908.db2.gz OBGJQOVTUAMCHB-BQBZGAKWSA-N -1 1 386.869 0.795 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575233800 948891049 /nfs/dbraw/zinc/89/10/49/948891049.db2.gz LXHJPQWGLYQWNI-YFKPBYRVSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575233800 948891069 /nfs/dbraw/zinc/89/10/69/948891069.db2.gz LXHJPQWGLYQWNI-YFKPBYRVSA-N -1 1 381.796 0.911 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574920396 948900226 /nfs/dbraw/zinc/90/02/26/948900226.db2.gz KCCFUTWPZSNVHI-JTQLQIEISA-N -1 1 386.420 0.134 20 0 GCADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCCOCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574087859 948901325 /nfs/dbraw/zinc/90/13/25/948901325.db2.gz BJSRSELDEXTJIT-UGSOOPFHSA-N -1 1 388.476 0.908 20 0 GCADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCCOCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574087859 948901345 /nfs/dbraw/zinc/90/13/45/948901345.db2.gz BJSRSELDEXTJIT-UGSOOPFHSA-N -1 1 388.476 0.908 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574685234 948903111 /nfs/dbraw/zinc/90/31/11/948903111.db2.gz UBMCFLRMBUOTFP-RITPCOANSA-N -1 1 386.825 0.392 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574685234 948903125 /nfs/dbraw/zinc/90/31/25/948903125.db2.gz UBMCFLRMBUOTFP-RITPCOANSA-N -1 1 386.825 0.392 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575234732 948904895 /nfs/dbraw/zinc/90/48/95/948904895.db2.gz CWQYLDMFIKFIFB-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575234732 948904907 /nfs/dbraw/zinc/90/49/07/948904907.db2.gz CWQYLDMFIKFIFB-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574920877 948909326 /nfs/dbraw/zinc/90/93/26/948909326.db2.gz QAULLQOQDDNVSV-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574920877 948909341 /nfs/dbraw/zinc/90/93/41/948909341.db2.gz QAULLQOQDDNVSV-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574921508 948925213 /nfs/dbraw/zinc/92/52/13/948925213.db2.gz YYKGWSVPYMNKHL-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574921508 948925219 /nfs/dbraw/zinc/92/52/19/948925219.db2.gz YYKGWSVPYMNKHL-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574923032 948930860 /nfs/dbraw/zinc/93/08/60/948930860.db2.gz BPVVLWMSESULSQ-SNVBAGLBSA-N -1 1 390.839 0.538 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574432492 948935463 /nfs/dbraw/zinc/93/54/63/948935463.db2.gz LBCFWRKQYVVCFX-NSHDSACASA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574432492 948935476 /nfs/dbraw/zinc/93/54/76/948935476.db2.gz LBCFWRKQYVVCFX-NSHDSACASA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574432572 948935634 /nfs/dbraw/zinc/93/56/34/948935634.db2.gz NHZDDZDOWWQIAM-UHFFFAOYSA-N -1 1 380.416 0.367 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574432756 948937891 /nfs/dbraw/zinc/93/78/91/948937891.db2.gz CZPTWNDSRNXYFX-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574432756 948937903 /nfs/dbraw/zinc/93/79/03/948937903.db2.gz CZPTWNDSRNXYFX-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001575236838 948939477 /nfs/dbraw/zinc/93/94/77/948939477.db2.gz ACACVHVVTPMCRL-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1c[nH]cn1 ZINC001573771281 948939500 /nfs/dbraw/zinc/93/95/00/948939500.db2.gz FDZQZADHIKCSJL-LLVKDONJSA-N -1 1 382.432 0.443 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001575236838 948939489 /nfs/dbraw/zinc/93/94/89/948939489.db2.gz ACACVHVVTPMCRL-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574432919 948940915 /nfs/dbraw/zinc/94/09/15/948940915.db2.gz PHESBTGTOBLDOV-PHIMTYICSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574432919 948940924 /nfs/dbraw/zinc/94/09/24/948940924.db2.gz PHESBTGTOBLDOV-PHIMTYICSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574432986 948947257 /nfs/dbraw/zinc/94/72/57/948947257.db2.gz RSAJVLBRFZMUAT-NSHDSACASA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574432986 948947266 /nfs/dbraw/zinc/94/72/66/948947266.db2.gz RSAJVLBRFZMUAT-NSHDSACASA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C(F)F ZINC001573772354 948957995 /nfs/dbraw/zinc/95/79/95/948957995.db2.gz AOEBSNNFFKBOHY-RKDXNWHRSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)C(F)F ZINC001573772354 948958002 /nfs/dbraw/zinc/95/80/02/948958002.db2.gz AOEBSNNFFKBOHY-RKDXNWHRSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433593 948959765 /nfs/dbraw/zinc/95/97/65/948959765.db2.gz XVRIAUSGLRRJFS-MNOVXSKESA-N -1 1 382.432 0.611 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574433765 948962383 /nfs/dbraw/zinc/96/23/83/948962383.db2.gz PPWJZHCBDJXJCN-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574433765 948962397 /nfs/dbraw/zinc/96/23/97/948962397.db2.gz PPWJZHCBDJXJCN-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573772590 948965650 /nfs/dbraw/zinc/96/56/50/948965650.db2.gz VRIVCSSUIPQJGU-VIFPVBQESA-N -1 1 384.366 0.974 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573772765 948967398 /nfs/dbraw/zinc/96/73/98/948967398.db2.gz DQTIOFFZHOVYJO-CYBMUJFWSA-N -1 1 379.428 0.724 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573772765 948967407 /nfs/dbraw/zinc/96/74/07/948967407.db2.gz DQTIOFFZHOVYJO-CYBMUJFWSA-N -1 1 379.428 0.724 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575240111 948971121 /nfs/dbraw/zinc/97/11/21/948971121.db2.gz ZHZNNCGCNVDYJW-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575240111 948971132 /nfs/dbraw/zinc/97/11/32/948971132.db2.gz ZHZNNCGCNVDYJW-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574433930 948971090 /nfs/dbraw/zinc/97/10/90/948971090.db2.gz WPWJPFJRNNJUBH-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574433930 948971098 /nfs/dbraw/zinc/97/10/98/948971098.db2.gz WPWJPFJRNNJUBH-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574434181 948976243 /nfs/dbraw/zinc/97/62/43/948976243.db2.gz YTQRUJGXIKGNBM-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574434181 948976254 /nfs/dbraw/zinc/97/62/54/948976254.db2.gz YTQRUJGXIKGNBM-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574925709 948976171 /nfs/dbraw/zinc/97/61/71/948976171.db2.gz CCFLWVPNQOPGGA-LBPRGKRZSA-N -1 1 387.448 0.224 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574925709 948976181 /nfs/dbraw/zinc/97/61/81/948976181.db2.gz CCFLWVPNQOPGGA-LBPRGKRZSA-N -1 1 387.448 0.224 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C(F)F ZINC001573773146 948976255 /nfs/dbraw/zinc/97/62/55/948976255.db2.gz IABGZEXOWRBTGK-WCBMZHEXSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C(F)F ZINC001573773146 948976267 /nfs/dbraw/zinc/97/62/67/948976267.db2.gz IABGZEXOWRBTGK-WCBMZHEXSA-N -1 1 382.375 0.004 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574689358 948982921 /nfs/dbraw/zinc/98/29/21/948982921.db2.gz GMPBGVGMGHMPLS-WDEREUQCSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574689358 948982934 /nfs/dbraw/zinc/98/29/34/948982934.db2.gz GMPBGVGMGHMPLS-WDEREUQCSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@H](CNC(=O)CN1CCCC1=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926084 948984710 /nfs/dbraw/zinc/98/47/10/948984710.db2.gz IAAKGRIEVIJMEZ-SSDOTTSWSA-N -1 1 384.853 0.516 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCO1 ZINC001573773672 948990788 /nfs/dbraw/zinc/99/07/88/948990788.db2.gz CVRCLRHYBUHUQQ-DGCLKSJQSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCO1 ZINC001573773672 948990803 /nfs/dbraw/zinc/99/08/03/948990803.db2.gz CVRCLRHYBUHUQQ-DGCLKSJQSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCO1 ZINC001573773670 948991097 /nfs/dbraw/zinc/99/10/97/948991097.db2.gz CVRCLRHYBUHUQQ-AAEUAGOBSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCO1 ZINC001573773670 948991113 /nfs/dbraw/zinc/99/11/13/948991113.db2.gz CVRCLRHYBUHUQQ-AAEUAGOBSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435550 948995676 /nfs/dbraw/zinc/99/56/76/948995676.db2.gz VTCVUMGFBBXZPL-LLVKDONJSA-N -1 1 385.432 0.925 20 0 GCADMM CC(C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435550 948995686 /nfs/dbraw/zinc/99/56/86/948995686.db2.gz VTCVUMGFBBXZPL-LLVKDONJSA-N -1 1 385.432 0.925 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C(F)F ZINC001573774108 949001387 /nfs/dbraw/zinc/00/13/87/949001387.db2.gz QLKXGPYPVAFTHF-WCBMZHEXSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C(F)F ZINC001573774108 949001403 /nfs/dbraw/zinc/00/14/03/949001403.db2.gz QLKXGPYPVAFTHF-WCBMZHEXSA-N -1 1 382.375 0.004 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575501436 949010109 /nfs/dbraw/zinc/01/01/09/949010109.db2.gz HTMBYIMVHAPFJO-GFCCVEGCSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575501436 949010127 /nfs/dbraw/zinc/01/01/27/949010127.db2.gz HTMBYIMVHAPFJO-GFCCVEGCSA-N -1 1 383.416 0.414 20 0 GCADMM CC(C)c1noc(CCC(=O)NCCN(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574439798 949010749 /nfs/dbraw/zinc/01/07/49/949010749.db2.gz ISQCKPWGJPFWRX-UHFFFAOYSA-N -1 1 386.420 0.348 20 0 GCADMM CC(C)c1noc(CCC(=O)NCCN(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574439798 949010772 /nfs/dbraw/zinc/01/07/72/949010772.db2.gz ISQCKPWGJPFWRX-UHFFFAOYSA-N -1 1 386.420 0.348 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574439820 949012442 /nfs/dbraw/zinc/01/24/42/949012442.db2.gz JHQUFVZKBGMDFF-UHFFFAOYSA-N -1 1 388.461 0.840 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574439820 949012461 /nfs/dbraw/zinc/01/24/61/949012461.db2.gz JHQUFVZKBGMDFF-UHFFFAOYSA-N -1 1 388.461 0.840 20 0 GCADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001575501938 949015146 /nfs/dbraw/zinc/01/51/46/949015146.db2.gz GULKGSPBCUQYPJ-VIFPVBQESA-N -1 1 376.398 0.940 20 0 GCADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001575501938 949015162 /nfs/dbraw/zinc/01/51/62/949015162.db2.gz GULKGSPBCUQYPJ-VIFPVBQESA-N -1 1 376.398 0.940 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001573774580 949015192 /nfs/dbraw/zinc/01/51/92/949015192.db2.gz OGGZQIYSPDANJN-RYUDHWBXSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001573774580 949015209 /nfs/dbraw/zinc/01/52/09/949015209.db2.gz OGGZQIYSPDANJN-RYUDHWBXSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C1CCC1 ZINC001573774863 949021235 /nfs/dbraw/zinc/02/12/35/949021235.db2.gz XKPYMUDQHGAEED-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C1CCC1 ZINC001573774863 949021246 /nfs/dbraw/zinc/02/12/46/949021246.db2.gz XKPYMUDQHGAEED-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575245395 949024201 /nfs/dbraw/zinc/02/42/01/949024201.db2.gz AYBXDLDWQSAPRQ-QWRGUYRKSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575245395 949024217 /nfs/dbraw/zinc/02/42/17/949024217.db2.gz AYBXDLDWQSAPRQ-QWRGUYRKSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575245393 949024657 /nfs/dbraw/zinc/02/46/57/949024657.db2.gz AYBXDLDWQSAPRQ-MNOVXSKESA-N -1 1 389.464 0.148 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575245393 949024676 /nfs/dbraw/zinc/02/46/76/949024676.db2.gz AYBXDLDWQSAPRQ-MNOVXSKESA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575502283 949024825 /nfs/dbraw/zinc/02/48/25/949024825.db2.gz JVVIOLNWWGMGOS-RYUDHWBXSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575502283 949024842 /nfs/dbraw/zinc/02/48/42/949024842.db2.gz JVVIOLNWWGMGOS-RYUDHWBXSA-N -1 1 383.416 0.460 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574440477 949028863 /nfs/dbraw/zinc/02/88/63/949028863.db2.gz PSADLVXEJSLQKP-VIFPVBQESA-N -1 1 388.461 0.886 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574440477 949028884 /nfs/dbraw/zinc/02/88/84/949028884.db2.gz PSADLVXEJSLQKP-VIFPVBQESA-N -1 1 388.461 0.886 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926933 949030664 /nfs/dbraw/zinc/03/06/64/949030664.db2.gz DCJKMADMYSWKNB-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926933 949030684 /nfs/dbraw/zinc/03/06/84/949030684.db2.gz DCJKMADMYSWKNB-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCCO1 ZINC001573775082 949031676 /nfs/dbraw/zinc/03/16/76/949031676.db2.gz YXLFRZICRLLVBS-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573775082 949031706 /nfs/dbraw/zinc/03/17/06/949031706.db2.gz YXLFRZICRLLVBS-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCCO1 ZINC001573775080 949031881 /nfs/dbraw/zinc/03/18/81/949031881.db2.gz YXLFRZICRLLVBS-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573775080 949031904 /nfs/dbraw/zinc/03/19/04/949031904.db2.gz YXLFRZICRLLVBS-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575502912 949034713 /nfs/dbraw/zinc/03/47/13/949034713.db2.gz LQMVFRQXPXWTFK-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575502912 949034735 /nfs/dbraw/zinc/03/47/35/949034735.db2.gz LQMVFRQXPXWTFK-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)c1nnsc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574440842 949036707 /nfs/dbraw/zinc/03/67/07/949036707.db2.gz WJABPIIECFYJDN-UHFFFAOYSA-N -1 1 386.445 0.428 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575247006 949040897 /nfs/dbraw/zinc/04/08/97/949040897.db2.gz HRRYELSQWPRMCJ-WDEREUQCSA-N -1 1 389.464 0.148 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574092249 949056736 /nfs/dbraw/zinc/05/67/36/949056736.db2.gz MVYRYFDSSYLWSB-QWHCGFSZSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574092249 949056757 /nfs/dbraw/zinc/05/67/57/949056757.db2.gz MVYRYFDSSYLWSB-QWHCGFSZSA-N -1 1 386.460 0.714 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248137 949058112 /nfs/dbraw/zinc/05/81/12/949058112.db2.gz ODZNVDGKIWIPHC-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248137 949058133 /nfs/dbraw/zinc/05/81/33/949058133.db2.gz ODZNVDGKIWIPHC-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248138 949060473 /nfs/dbraw/zinc/06/04/73/949060473.db2.gz ODZNVDGKIWIPHC-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248138 949060497 /nfs/dbraw/zinc/06/04/97/949060497.db2.gz ODZNVDGKIWIPHC-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573779458 949061945 /nfs/dbraw/zinc/06/19/45/949061945.db2.gz IPVGRQJPULXSQB-OAHLLOKOSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573779458 949061966 /nfs/dbraw/zinc/06/19/66/949061966.db2.gz IPVGRQJPULXSQB-OAHLLOKOSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574928967 949067515 /nfs/dbraw/zinc/06/75/15/949067515.db2.gz UPRFHJHNPHCDLK-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574928967 949067530 /nfs/dbraw/zinc/06/75/30/949067530.db2.gz UPRFHJHNPHCDLK-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)CN1CCc2ccccc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574928951 949068227 /nfs/dbraw/zinc/06/82/27/949068227.db2.gz UHVMRUZIAPPURL-GFCCVEGCSA-N -1 1 379.428 0.636 20 0 GCADMM C[C@H](CNC(=O)CN1CCc2ccccc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574928951 949068247 /nfs/dbraw/zinc/06/82/47/949068247.db2.gz UHVMRUZIAPPURL-GFCCVEGCSA-N -1 1 379.428 0.636 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575248655 949073963 /nfs/dbraw/zinc/07/39/63/949073963.db2.gz UWGPUZHJNSPVRH-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575248655 949073984 /nfs/dbraw/zinc/07/39/84/949073984.db2.gz UWGPUZHJNSPVRH-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1c[nH]cn1 ZINC001573780040 949075993 /nfs/dbraw/zinc/07/59/93/949075993.db2.gz QITFPWRJGZBQJA-NSHDSACASA-N -1 1 382.432 0.443 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1c[nH]cn1 ZINC001573779899 949076240 /nfs/dbraw/zinc/07/62/40/949076240.db2.gz PFBOBAHPTITEPF-LLVKDONJSA-N -1 1 382.432 0.443 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575248872 949079072 /nfs/dbraw/zinc/07/90/72/949079072.db2.gz WTWOUFXPFPHBIR-NSHDSACASA-N -1 1 389.464 0.102 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575248872 949079091 /nfs/dbraw/zinc/07/90/91/949079091.db2.gz WTWOUFXPFPHBIR-NSHDSACASA-N -1 1 389.464 0.102 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574092815 949080133 /nfs/dbraw/zinc/08/01/33/949080133.db2.gz SVVPGKRUDZCLQB-OLZOCXBDSA-N -1 1 376.486 0.883 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574929159 949083207 /nfs/dbraw/zinc/08/32/07/949083207.db2.gz ZRUXDPUBQMRVHM-LLVKDONJSA-N -1 1 389.464 0.373 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574929159 949083228 /nfs/dbraw/zinc/08/32/28/949083228.db2.gz ZRUXDPUBQMRVHM-LLVKDONJSA-N -1 1 389.464 0.373 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574929161 949084724 /nfs/dbraw/zinc/08/47/24/949084724.db2.gz ZTZYGNXTIXDMGQ-LLVKDONJSA-N -1 1 381.400 0.003 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574929161 949084743 /nfs/dbraw/zinc/08/47/43/949084743.db2.gz ZTZYGNXTIXDMGQ-LLVKDONJSA-N -1 1 381.400 0.003 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575504762 949085505 /nfs/dbraw/zinc/08/55/05/949085505.db2.gz XLAMCXXZNVSLEL-YRGRVCCFSA-N -1 1 395.427 0.460 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575504762 949085524 /nfs/dbraw/zinc/08/55/24/949085524.db2.gz XLAMCXXZNVSLEL-YRGRVCCFSA-N -1 1 395.427 0.460 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575504770 949089238 /nfs/dbraw/zinc/08/92/38/949089238.db2.gz XOQQIRMHDUAJRG-LBPRGKRZSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575504770 949089258 /nfs/dbraw/zinc/08/92/58/949089258.db2.gz XOQQIRMHDUAJRG-LBPRGKRZSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575504898 949092402 /nfs/dbraw/zinc/09/24/02/949092402.db2.gz YKYRLCPNXOOAFU-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575504898 949092429 /nfs/dbraw/zinc/09/24/29/949092429.db2.gz YKYRLCPNXOOAFU-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574442461 949098384 /nfs/dbraw/zinc/09/83/84/949098384.db2.gz PQGQLULMOZKAKH-GFCCVEGCSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c(Cl)cnn1C ZINC001574695178 949104380 /nfs/dbraw/zinc/10/43/80/949104380.db2.gz DPCUNVAVGRIMPX-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c(Cl)cnn1C ZINC001574695178 949104394 /nfs/dbraw/zinc/10/43/94/949104394.db2.gz DPCUNVAVGRIMPX-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001574695351 949109908 /nfs/dbraw/zinc/10/99/08/949109908.db2.gz GCXFNDMLLGBYRZ-DIFFPNOSSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001574695351 949109918 /nfs/dbraw/zinc/10/99/18/949109918.db2.gz GCXFNDMLLGBYRZ-DIFFPNOSSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574695464 949112074 /nfs/dbraw/zinc/11/20/74/949112074.db2.gz HWNQFESLLFKLCO-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574695464 949112085 /nfs/dbraw/zinc/11/20/85/949112085.db2.gz HWNQFESLLFKLCO-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn(CC(F)F)n1 ZINC001574695407 949113123 /nfs/dbraw/zinc/11/31/23/949113123.db2.gz HBYGISNONYQRPE-VIFPVBQESA-N -1 1 392.374 0.739 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn(CC(F)F)n1 ZINC001574695407 949113133 /nfs/dbraw/zinc/11/31/33/949113133.db2.gz HBYGISNONYQRPE-VIFPVBQESA-N -1 1 392.374 0.739 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574445811 949116298 /nfs/dbraw/zinc/11/62/98/949116298.db2.gz DQEVWYWOPBDVOC-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574445811 949116316 /nfs/dbraw/zinc/11/63/16/949116316.db2.gz DQEVWYWOPBDVOC-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C(F)F)c1 ZINC001574695901 949119542 /nfs/dbraw/zinc/11/95/42/949119542.db2.gz KPSQFRAFNWVXDO-QMMMGPOBSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C(F)F)c1 ZINC001574695901 949119551 /nfs/dbraw/zinc/11/95/51/949119551.db2.gz KPSQFRAFNWVXDO-QMMMGPOBSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574695977 949119676 /nfs/dbraw/zinc/11/96/76/949119676.db2.gz LHTQDWAIZVTIOY-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574695977 949119686 /nfs/dbraw/zinc/11/96/86/949119686.db2.gz LHTQDWAIZVTIOY-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574446260 949122646 /nfs/dbraw/zinc/12/26/46/949122646.db2.gz LSCXHLQIIFWMQM-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574446260 949122657 /nfs/dbraw/zinc/12/26/57/949122657.db2.gz LSCXHLQIIFWMQM-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CCC1 ZINC001573782714 949128146 /nfs/dbraw/zinc/12/81/46/949128146.db2.gz VXLJIHHZPLVLEI-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573782714 949128158 /nfs/dbraw/zinc/12/81/58/949128158.db2.gz VXLJIHHZPLVLEI-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574932175 949129017 /nfs/dbraw/zinc/12/90/17/949129017.db2.gz VMCLJCSEIYWAGA-JGVFFNPUSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574932083 949129250 /nfs/dbraw/zinc/12/92/50/949129250.db2.gz UTEFHRDTRXGNBL-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574932083 949129272 /nfs/dbraw/zinc/12/92/72/949129272.db2.gz UTEFHRDTRXGNBL-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574932084 949131125 /nfs/dbraw/zinc/13/11/25/949131125.db2.gz UTEFHRDTRXGNBL-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574932084 949131109 /nfs/dbraw/zinc/13/11/09/949131109.db2.gz UTEFHRDTRXGNBL-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C2CC2)nn1C ZINC001574696462 949135762 /nfs/dbraw/zinc/13/57/62/949135762.db2.gz RBBUPNIWNFQDCF-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C2CC2)nn1C ZINC001574696462 949135774 /nfs/dbraw/zinc/13/57/74/949135774.db2.gz RBBUPNIWNFQDCF-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573782928 949136917 /nfs/dbraw/zinc/13/69/17/949136917.db2.gz ZIGAOIVRJKSTAH-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251406 949137254 /nfs/dbraw/zinc/13/72/54/949137254.db2.gz MVMJDYAOTDWKTQ-NWDGAFQWSA-N -1 1 381.444 0.757 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251408 949137589 /nfs/dbraw/zinc/13/75/89/949137589.db2.gz MVMJDYAOTDWKTQ-VXGBXAGGSA-N -1 1 381.444 0.757 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CC1 ZINC001573783008 949142338 /nfs/dbraw/zinc/14/23/38/949142338.db2.gz ZZFQNQFBVKFKQF-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CC1 ZINC001573783008 949142348 /nfs/dbraw/zinc/14/23/48/949142348.db2.gz ZZFQNQFBVKFKQF-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001574446826 949142684 /nfs/dbraw/zinc/14/26/84/949142684.db2.gz XSIJYXMCTXYZSU-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574446826 949142693 /nfs/dbraw/zinc/14/26/93/949142693.db2.gz XSIJYXMCTXYZSU-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574932402 949142941 /nfs/dbraw/zinc/14/29/41/949142941.db2.gz ZLGPMGQEVSUPRV-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574932402 949142957 /nfs/dbraw/zinc/14/29/57/949142957.db2.gz ZLGPMGQEVSUPRV-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574696796 949143407 /nfs/dbraw/zinc/14/34/07/949143407.db2.gz UPBIZNVSDHYOHC-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574696796 949143416 /nfs/dbraw/zinc/14/34/16/949143416.db2.gz UPBIZNVSDHYOHC-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cccnc1 ZINC001573786782 949144941 /nfs/dbraw/zinc/14/49/41/949144941.db2.gz AWSKFKCEYLTPLC-NHAGDIPZSA-N -1 1 391.439 0.580 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cccnc1 ZINC001573786796 949146573 /nfs/dbraw/zinc/14/65/73/949146573.db2.gz BSKTUHUOTPMKIG-UHFFFAOYSA-N -1 1 383.416 0.738 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1cccnc1 ZINC001573786796 949146580 /nfs/dbraw/zinc/14/65/80/949146580.db2.gz BSKTUHUOTPMKIG-UHFFFAOYSA-N -1 1 383.416 0.738 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574697170 949149654 /nfs/dbraw/zinc/14/96/54/949149654.db2.gz ZLCRWFXSGKPZJM-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574697170 949149670 /nfs/dbraw/zinc/14/96/70/949149670.db2.gz ZLCRWFXSGKPZJM-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574697154 949150709 /nfs/dbraw/zinc/15/07/09/949150709.db2.gz ZEWYEMGLNLICIR-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574697154 949150722 /nfs/dbraw/zinc/15/07/22/949150722.db2.gz ZEWYEMGLNLICIR-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(N)=O)cs1 ZINC001574697095 949152357 /nfs/dbraw/zinc/15/23/57/949152357.db2.gz YVIJEPNHYZIVMF-QMMMGPOBSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(N)=O)cs1 ZINC001574697095 949152372 /nfs/dbraw/zinc/15/23/72/949152372.db2.gz YVIJEPNHYZIVMF-QMMMGPOBSA-N -1 1 387.429 0.438 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574095454 949153809 /nfs/dbraw/zinc/15/38/09/949153809.db2.gz YNNPZAFBJWMKMJ-XUXIUFHCSA-N -1 1 386.460 0.589 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574697960 949168710 /nfs/dbraw/zinc/16/87/10/949168710.db2.gz DNKLDWNSCATNAM-TZMCWYRMSA-N -1 1 384.419 0.918 20 0 GCADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1c[nH]cn1 ZINC001573787343 949174369 /nfs/dbraw/zinc/17/43/69/949174369.db2.gz UPAIJGODEHKSDD-XYPYZODXSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698189 949177475 /nfs/dbraw/zinc/17/74/75/949177475.db2.gz HBCNAJLPCTYSHZ-QWHCGFSZSA-N -1 1 382.428 0.805 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574934897 949183398 /nfs/dbraw/zinc/18/33/98/949183398.db2.gz ULHWODYPNMLUHQ-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574934975 949187837 /nfs/dbraw/zinc/18/78/37/949187837.db2.gz WELCQNVGKYTHMP-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574934975 949187853 /nfs/dbraw/zinc/18/78/53/949187853.db2.gz WELCQNVGKYTHMP-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574448831 949191221 /nfs/dbraw/zinc/19/12/21/949191221.db2.gz NAMADUBSZRHXQV-GFCCVEGCSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574935037 949192334 /nfs/dbraw/zinc/19/23/34/949192334.db2.gz XMMQBBOICTZSIM-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574935037 949192345 /nfs/dbraw/zinc/19/23/45/949192345.db2.gz XMMQBBOICTZSIM-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574102735 949201918 /nfs/dbraw/zinc/20/19/18/949201918.db2.gz AGXJYUWTERSONL-ACJLOTCBSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574102735 949201931 /nfs/dbraw/zinc/20/19/31/949201931.db2.gz AGXJYUWTERSONL-ACJLOTCBSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573788811 949215524 /nfs/dbraw/zinc/21/55/24/949215524.db2.gz YPACITJNXSZZQW-MNOVXSKESA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573788811 949215549 /nfs/dbraw/zinc/21/55/49/949215549.db2.gz YPACITJNXSZZQW-MNOVXSKESA-N -1 1 387.448 0.255 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575254765 949216591 /nfs/dbraw/zinc/21/65/91/949216591.db2.gz XQCAKFFSNLHHCI-DCAQKATOSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575254765 949216610 /nfs/dbraw/zinc/21/66/10/949216610.db2.gz XQCAKFFSNLHHCI-DCAQKATOSA-N -1 1 387.448 0.267 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001575853606 949221409 /nfs/dbraw/zinc/22/14/09/949221409.db2.gz VMNHGFFGUFRDOG-GFCCVEGCSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001575853606 949221430 /nfs/dbraw/zinc/22/14/30/949221430.db2.gz VMNHGFFGUFRDOG-GFCCVEGCSA-N -1 1 388.432 0.255 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574699016 949223203 /nfs/dbraw/zinc/22/32/03/949223203.db2.gz RLMINQKXPPYYGV-NKWVEPMBSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574699016 949223218 /nfs/dbraw/zinc/22/32/18/949223218.db2.gz RLMINQKXPPYYGV-NKWVEPMBSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574699017 949223249 /nfs/dbraw/zinc/22/32/49/949223249.db2.gz RLMINQKXPPYYGV-RNFRBKRXSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574699017 949223270 /nfs/dbraw/zinc/22/32/70/949223270.db2.gz RLMINQKXPPYYGV-RNFRBKRXSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574937268 949225055 /nfs/dbraw/zinc/22/50/55/949225055.db2.gz NPWVCNVTOPGWGS-JTQLQIEISA-N -1 1 383.416 0.706 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574937268 949225080 /nfs/dbraw/zinc/22/50/80/949225080.db2.gz NPWVCNVTOPGWGS-JTQLQIEISA-N -1 1 383.416 0.706 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574699015 949225848 /nfs/dbraw/zinc/22/58/48/949225848.db2.gz RLMINQKXPPYYGV-BQBZGAKWSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574699015 949225867 /nfs/dbraw/zinc/22/58/67/949225867.db2.gz RLMINQKXPPYYGV-BQBZGAKWSA-N -1 1 386.869 0.747 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001575854411 949231983 /nfs/dbraw/zinc/23/19/83/949231983.db2.gz VQPUWKDYRDUATK-KRWDZBQOSA-N -1 1 386.460 0.688 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574451704 949238812 /nfs/dbraw/zinc/23/88/12/949238812.db2.gz VAXLEVJJNIEJAA-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574451704 949238842 /nfs/dbraw/zinc/23/88/42/949238842.db2.gz VAXLEVJJNIEJAA-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574699439 949240437 /nfs/dbraw/zinc/24/04/37/949240437.db2.gz UWIKSSQJDUYREX-RNFRBKRXSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574699439 949240458 /nfs/dbraw/zinc/24/04/58/949240458.db2.gz UWIKSSQJDUYREX-RNFRBKRXSA-N -1 1 386.869 0.747 20 0 GCADMM CC(C)n1cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001574451921 949246233 /nfs/dbraw/zinc/24/62/33/949246233.db2.gz AMIVMADEIHHBBX-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001574451921 949246253 /nfs/dbraw/zinc/24/62/53/949246253.db2.gz AMIVMADEIHHBBX-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574699796 949250327 /nfs/dbraw/zinc/25/03/27/949250327.db2.gz XCNBYKICXCQETM-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574699796 949250340 /nfs/dbraw/zinc/25/03/40/949250340.db2.gz XCNBYKICXCQETM-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)(C)C(=O)N1CC[C@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573792490 949251158 /nfs/dbraw/zinc/25/11/58/949251158.db2.gz PQHVMGCXEBAKAX-ZDUSSCGKSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@]1(c2cccc(CNC(=O)c3csc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC001575856709 949255480 /nfs/dbraw/zinc/25/54/80/949255480.db2.gz IXKZBAKSKPVANH-QGZVFWFLSA-N -1 1 397.420 0.913 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574940257 949256567 /nfs/dbraw/zinc/25/65/67/949256567.db2.gz CQXGWWUYGXGGLF-NSHDSACASA-N -1 1 380.412 0.173 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)[C@@H]1C ZINC001576152721 949259227 /nfs/dbraw/zinc/25/92/27/949259227.db2.gz KMDUYNFOTBPTFT-GIPNMCIBSA-N -1 1 388.432 0.520 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452492 949262391 /nfs/dbraw/zinc/26/23/91/949262391.db2.gz LCDJNBLPCIPHME-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452492 949262408 /nfs/dbraw/zinc/26/24/08/949262408.db2.gz LCDJNBLPCIPHME-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cn1 ZINC001574452824 949267173 /nfs/dbraw/zinc/26/71/73/949267173.db2.gz NLZLPLCIFBZUPC-ZDUSSCGKSA-N -1 1 382.432 0.477 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001575857565 949270343 /nfs/dbraw/zinc/27/03/43/949270343.db2.gz SSGGDLSILMETON-KPZWWZAWSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001575857565 949270364 /nfs/dbraw/zinc/27/03/64/949270364.db2.gz SSGGDLSILMETON-KPZWWZAWSA-N -1 1 384.444 0.876 20 0 GCADMM CC(C)(C)C(=O)C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573792871 949271898 /nfs/dbraw/zinc/27/18/98/949271898.db2.gz GZTQRDSJSIMSNA-UHFFFAOYSA-N -1 1 388.432 0.349 20 0 GCADMM CC(C)(C)C(=O)C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573792871 949271919 /nfs/dbraw/zinc/27/19/19/949271919.db2.gz GZTQRDSJSIMSNA-UHFFFAOYSA-N -1 1 388.432 0.349 20 0 GCADMM CC(C)(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573793021 949276741 /nfs/dbraw/zinc/27/67/41/949276741.db2.gz IMDJLJJZHOIHIE-TXEJJXNPSA-N -1 1 384.444 0.842 20 0 GCADMM CC(C)(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573793021 949276765 /nfs/dbraw/zinc/27/67/65/949276765.db2.gz IMDJLJJZHOIHIE-TXEJJXNPSA-N -1 1 384.444 0.842 20 0 GCADMM CC(C)n1cc(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001574453027 949277212 /nfs/dbraw/zinc/27/72/12/949277212.db2.gz WEWDZIZJRFOSAH-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cc(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001574453027 949277233 /nfs/dbraw/zinc/27/72/33/949277233.db2.gz WEWDZIZJRFOSAH-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c[nH]nc2c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574940954 949281872 /nfs/dbraw/zinc/28/18/72/949281872.db2.gz MWJUBGAYRBSWLG-NSHDSACASA-N -1 1 392.427 0.717 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c[nH]nc2c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574940954 949281893 /nfs/dbraw/zinc/28/18/93/949281893.db2.gz MWJUBGAYRBSWLG-NSHDSACASA-N -1 1 392.427 0.717 20 0 GCADMM C[C@@H]1CCC[C@@H](OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153194 949282280 /nfs/dbraw/zinc/28/22/80/949282280.db2.gz LJBCPXLJMMHDDM-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCC[C@@H](OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153194 949282300 /nfs/dbraw/zinc/28/23/00/949282300.db2.gz LJBCPXLJMMHDDM-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CC1=C(C)C[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)CC1 ZINC001575860067 949289419 /nfs/dbraw/zinc/28/94/19/949289419.db2.gz CCRQCSZLFVYWOW-BPLDGKMQSA-N -1 1 384.444 0.459 20 0 GCADMM CC1=C(C)C[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)CC1 ZINC001575860067 949289440 /nfs/dbraw/zinc/28/94/40/949289440.db2.gz CCRQCSZLFVYWOW-BPLDGKMQSA-N -1 1 384.444 0.459 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941228 949297355 /nfs/dbraw/zinc/29/73/55/949297355.db2.gz POWQVNJVVIVSAJ-LBPRGKRZSA-N -1 1 378.440 0.727 20 0 GCADMM CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001573793778 949306022 /nfs/dbraw/zinc/30/60/22/949306022.db2.gz ZHNDJEXCWHQKOX-RQJHMYQMSA-N -1 1 399.864 0.258 20 0 GCADMM CC(C)(C)C(=O)N1CCN([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573793955 949306597 /nfs/dbraw/zinc/30/65/97/949306597.db2.gz AAPMDEQWDHJUKH-CYBMUJFWSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574941726 949318363 /nfs/dbraw/zinc/31/83/63/949318363.db2.gz GSBJVTKBWPHJRT-GFCCVEGCSA-N -1 1 384.448 0.263 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457300 949322069 /nfs/dbraw/zinc/32/20/69/949322069.db2.gz FTGNFWRJZFEBKT-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457300 949322092 /nfs/dbraw/zinc/32/20/92/949322092.db2.gz FTGNFWRJZFEBKT-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457301 949322612 /nfs/dbraw/zinc/32/26/12/949322612.db2.gz FTGNFWRJZFEBKT-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457301 949322635 /nfs/dbraw/zinc/32/26/35/949322635.db2.gz FTGNFWRJZFEBKT-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnon1 ZINC001576154193 949324051 /nfs/dbraw/zinc/32/40/51/949324051.db2.gz CJCAXRVBTYKFDO-MGPLVRAMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnon1 ZINC001576154193 949324067 /nfs/dbraw/zinc/32/40/67/949324067.db2.gz CJCAXRVBTYKFDO-MGPLVRAMSA-N -1 1 384.404 0.831 20 0 GCADMM CC(C)(C)C(=O)N1CCN([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573795428 949328750 /nfs/dbraw/zinc/32/87/50/949328750.db2.gz MXYFYSCWIJEAID-ZDUSSCGKSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575259515 949330664 /nfs/dbraw/zinc/33/06/64/949330664.db2.gz POARPORHLQEJBI-JSGCOSHPSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575259515 949330686 /nfs/dbraw/zinc/33/06/86/949330686.db2.gz POARPORHLQEJBI-JSGCOSHPSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCC[C@@H](C)C1 ZINC001576154411 949337886 /nfs/dbraw/zinc/33/78/86/949337886.db2.gz PAGMNEKMTNMXIZ-WOPDTQHZSA-N -1 1 375.433 0.850 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574458206 949338138 /nfs/dbraw/zinc/33/81/38/949338138.db2.gz QPCXHAXDUQLHNR-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574458211 949338735 /nfs/dbraw/zinc/33/87/35/949338735.db2.gz QPCXHAXDUQLHNR-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574942197 949339937 /nfs/dbraw/zinc/33/99/37/949339937.db2.gz KPVUWIZIUAZOBS-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574942197 949339958 /nfs/dbraw/zinc/33/99/58/949339958.db2.gz KPVUWIZIUAZOBS-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573796952 949345309 /nfs/dbraw/zinc/34/53/09/949345309.db2.gz YBQQEMRIFCLRPN-NSHDSACASA-N -1 1 378.458 0.818 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260798 949361882 /nfs/dbraw/zinc/36/18/82/949361882.db2.gz XQRPXMGORHOFHR-GXTWGEPZSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H]1C(=O)Nc2ccccc2CN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575864867 949365999 /nfs/dbraw/zinc/36/59/99/949365999.db2.gz IWJCATAMSRLJJD-JTQLQIEISA-N -1 1 382.388 0.011 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573799339 949368798 /nfs/dbraw/zinc/36/87/98/949368798.db2.gz LLGACEXYUTVTBX-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573799339 949368821 /nfs/dbraw/zinc/36/88/21/949368821.db2.gz LLGACEXYUTVTBX-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573799361 949369497 /nfs/dbraw/zinc/36/94/97/949369497.db2.gz LSNSWQGCBZKUGG-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573799361 949369519 /nfs/dbraw/zinc/36/95/19/949369519.db2.gz LSNSWQGCBZKUGG-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573799665 949377273 /nfs/dbraw/zinc/37/72/73/949377273.db2.gz PBWVNCIVHQUZBH-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573799665 949377296 /nfs/dbraw/zinc/37/72/96/949377296.db2.gz PBWVNCIVHQUZBH-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)N(C)c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574943779 949379245 /nfs/dbraw/zinc/37/92/45/949379245.db2.gz YDIRTZLLTZZRSU-GFCCVEGCSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)N(C)c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574943779 949379266 /nfs/dbraw/zinc/37/92/66/949379266.db2.gz YDIRTZLLTZZRSU-GFCCVEGCSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574463929 949391632 /nfs/dbraw/zinc/39/16/32/949391632.db2.gz BNOHQQSWZLDAPH-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574463929 949391655 /nfs/dbraw/zinc/39/16/55/949391655.db2.gz BNOHQQSWZLDAPH-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704549 949394962 /nfs/dbraw/zinc/39/49/62/949394962.db2.gz OQKZZRHLPQEPBR-GFCCVEGCSA-N -1 1 379.428 0.464 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573800558 949395766 /nfs/dbraw/zinc/39/57/66/949395766.db2.gz YUARNPWXJVNHPL-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573800558 949395784 /nfs/dbraw/zinc/39/57/84/949395784.db2.gz YUARNPWXJVNHPL-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CNC(=O)Cc1cncn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574944583 949398228 /nfs/dbraw/zinc/39/82/28/949398228.db2.gz FSNWJQGFQVVXKW-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574464332 949406349 /nfs/dbraw/zinc/40/63/49/949406349.db2.gz KXSGIPNHYMXPAP-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464332 949406364 /nfs/dbraw/zinc/40/63/64/949406364.db2.gz KXSGIPNHYMXPAP-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464344 949411982 /nfs/dbraw/zinc/41/19/82/949411982.db2.gz LPSWCEMSPVNPHY-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575263905 949416055 /nfs/dbraw/zinc/41/60/55/949416055.db2.gz LEUUKFORQMASMI-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575263905 949416065 /nfs/dbraw/zinc/41/60/65/949416065.db2.gz LEUUKFORQMASMI-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575263906 949416695 /nfs/dbraw/zinc/41/66/95/949416695.db2.gz LEUUKFORQMASMI-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575263906 949416706 /nfs/dbraw/zinc/41/67/06/949416706.db2.gz LEUUKFORQMASMI-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574464610 949419212 /nfs/dbraw/zinc/41/92/12/949419212.db2.gz ODHLAFJJTLHCNH-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574464610 949419221 /nfs/dbraw/zinc/41/92/21/949419221.db2.gz ODHLAFJJTLHCNH-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN(C)C1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705320 949419501 /nfs/dbraw/zinc/41/95/01/949419501.db2.gz HVVMNQWFXUIPIU-NWDGAFQWSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN(C)C1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705320 949419516 /nfs/dbraw/zinc/41/95/16/949419516.db2.gz HVVMNQWFXUIPIU-NWDGAFQWSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575866951 949424285 /nfs/dbraw/zinc/42/42/85/949424285.db2.gz IRKUAYFPJSCEQP-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575866951 949424307 /nfs/dbraw/zinc/42/43/07/949424307.db2.gz IRKUAYFPJSCEQP-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001574465022 949424748 /nfs/dbraw/zinc/42/47/48/949424748.db2.gz SXKWKNLSUDLGNA-SWLSCSKDSA-N -1 1 394.443 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001574465022 949424762 /nfs/dbraw/zinc/42/47/62/949424762.db2.gz SXKWKNLSUDLGNA-SWLSCSKDSA-N -1 1 394.443 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574465088 949427960 /nfs/dbraw/zinc/42/79/60/949427960.db2.gz WTVHBSOWWIDUCF-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574465088 949427976 /nfs/dbraw/zinc/42/79/76/949427976.db2.gz WTVHBSOWWIDUCF-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2ccccc12)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574946161 949428195 /nfs/dbraw/zinc/42/81/95/949428195.db2.gz SIBCDMMAQIJWSG-GFCCVEGCSA-N -1 1 392.427 0.711 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2ccccc12)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574946161 949428207 /nfs/dbraw/zinc/42/82/07/949428207.db2.gz SIBCDMMAQIJWSG-GFCCVEGCSA-N -1 1 392.427 0.711 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2ccccc12)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574946165 949428723 /nfs/dbraw/zinc/42/87/23/949428723.db2.gz SIBCDMMAQIJWSG-LBPRGKRZSA-N -1 1 392.427 0.711 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2ccccc12)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574946165 949428735 /nfs/dbraw/zinc/42/87/35/949428735.db2.gz SIBCDMMAQIJWSG-LBPRGKRZSA-N -1 1 392.427 0.711 20 0 GCADMM C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574946140 949429295 /nfs/dbraw/zinc/42/92/95/949429295.db2.gz RXEQCFCYHJEGHG-SECBINFHSA-N -1 1 385.457 0.572 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574465096 949430959 /nfs/dbraw/zinc/43/09/59/949430959.db2.gz XGGIWKWQAVTAHK-GFCCVEGCSA-N -1 1 382.432 0.430 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575264797 949433504 /nfs/dbraw/zinc/43/35/04/949433504.db2.gz QODRBXJDFNOUAC-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573803308 949440023 /nfs/dbraw/zinc/44/00/23/949440023.db2.gz MYFAZIBSVROUSN-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573803308 949440035 /nfs/dbraw/zinc/44/00/35/949440035.db2.gz MYFAZIBSVROUSN-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575868022 949445998 /nfs/dbraw/zinc/44/59/98/949445998.db2.gz KYCOKJGHRBQHRG-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575868022 949446007 /nfs/dbraw/zinc/44/60/07/949446007.db2.gz KYCOKJGHRBQHRG-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001575265271 949447222 /nfs/dbraw/zinc/44/72/22/949447222.db2.gz SUEFEFNVZDATRU-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001575265271 949447235 /nfs/dbraw/zinc/44/72/35/949447235.db2.gz SUEFEFNVZDATRU-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNC(=O)Cn1cccn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574947606 949450944 /nfs/dbraw/zinc/45/09/44/949450944.db2.gz DFZXVZCLOLUMHH-MRVPVSSYSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@H](CNC(=O)Cn1cccn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574947606 949450959 /nfs/dbraw/zinc/45/09/59/949450959.db2.gz DFZXVZCLOLUMHH-MRVPVSSYSA-N -1 1 381.853 0.814 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574467980 949454293 /nfs/dbraw/zinc/45/42/93/949454293.db2.gz BXBPKAFHCITJSG-LBPRGKRZSA-N -1 1 382.432 0.430 20 0 GCADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)C1 ZINC001576156612 949454821 /nfs/dbraw/zinc/45/48/21/949454821.db2.gz YVADJYGRBSSZQB-VXGBXAGGSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)C1 ZINC001576156612 949454834 /nfs/dbraw/zinc/45/48/34/949454834.db2.gz YVADJYGRBSSZQB-VXGBXAGGSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574706723 949459778 /nfs/dbraw/zinc/45/97/78/949459778.db2.gz MDVBEMLYMOPJQI-GFCCVEGCSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Sc1ccccc1 ZINC001574948477 949461699 /nfs/dbraw/zinc/46/16/99/949461699.db2.gz JKTXKXQTBNXHMZ-JTQLQIEISA-N -1 1 387.425 0.426 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575265908 949462451 /nfs/dbraw/zinc/46/24/51/949462451.db2.gz VWGNTETXTKFVRU-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575265908 949462462 /nfs/dbraw/zinc/46/24/62/949462462.db2.gz VWGNTETXTKFVRU-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574707192 949466557 /nfs/dbraw/zinc/46/65/57/949466557.db2.gz NXYWAMFDMLVZPP-MNOVXSKESA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574707192 949466569 /nfs/dbraw/zinc/46/65/69/949466569.db2.gz NXYWAMFDMLVZPP-MNOVXSKESA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574948508 949468865 /nfs/dbraw/zinc/46/88/65/949468865.db2.gz KPNMYVRCRGQUHL-ZETCQYMHSA-N -1 1 382.841 0.433 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574948508 949468881 /nfs/dbraw/zinc/46/88/81/949468881.db2.gz KPNMYVRCRGQUHL-ZETCQYMHSA-N -1 1 382.841 0.433 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574469315 949474976 /nfs/dbraw/zinc/47/49/76/949474976.db2.gz BCVMCGFGFSUZGZ-YABSGUDNSA-N -1 1 380.416 0.299 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574949050 949480653 /nfs/dbraw/zinc/48/06/53/949480653.db2.gz PWEVMUOYSIJVQC-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574949050 949480668 /nfs/dbraw/zinc/48/06/68/949480668.db2.gz PWEVMUOYSIJVQC-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574949102 949481946 /nfs/dbraw/zinc/48/19/46/949481946.db2.gz QSHHSGWELYYTMC-LLVKDONJSA-N -1 1 382.432 0.017 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574949103 949483075 /nfs/dbraw/zinc/48/30/75/949483075.db2.gz QSHHSGWELYYTMC-NSHDSACASA-N -1 1 382.432 0.017 20 0 GCADMM C[C@@H](CNC(=O)Cn1ncc2ccccc21)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574949202 949486455 /nfs/dbraw/zinc/48/64/55/949486455.db2.gz RQHSQMNDWVVYHY-LBPRGKRZSA-N -1 1 392.427 0.648 20 0 GCADMM C[C@@H](CNC(=O)Cn1ncc2ccccc21)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574949202 949486467 /nfs/dbraw/zinc/48/64/67/949486467.db2.gz RQHSQMNDWVVYHY-LBPRGKRZSA-N -1 1 392.427 0.648 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574470071 949488357 /nfs/dbraw/zinc/48/83/57/949488357.db2.gz LSBVINCSAJDMQY-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574470071 949488372 /nfs/dbraw/zinc/48/83/72/949488372.db2.gz LSBVINCSAJDMQY-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574118474 949491530 /nfs/dbraw/zinc/49/15/30/949491530.db2.gz GLFUUKXJWMDFKY-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574118474 949491540 /nfs/dbraw/zinc/49/15/40/949491540.db2.gz GLFUUKXJWMDFKY-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574118430 949492398 /nfs/dbraw/zinc/49/23/98/949492398.db2.gz GANSBSKJZFBWQD-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574118430 949492411 /nfs/dbraw/zinc/49/24/11/949492411.db2.gz GANSBSKJZFBWQD-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574118993 949496718 /nfs/dbraw/zinc/49/67/18/949496718.db2.gz HHYIXIFKCLXODD-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574470421 949497830 /nfs/dbraw/zinc/49/78/30/949497830.db2.gz PUOUKBSUEWRVQG-LBPRGKRZSA-N -1 1 382.432 0.477 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574708875 949499960 /nfs/dbraw/zinc/49/99/60/949499960.db2.gz XZFBBRDWLTUBJU-MNOVXSKESA-N -1 1 382.432 0.181 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574119857 949501430 /nfs/dbraw/zinc/50/14/30/949501430.db2.gz KYQZOPFHMMLDDB-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574119857 949501444 /nfs/dbraw/zinc/50/14/44/949501444.db2.gz KYQZOPFHMMLDDB-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574470720 949506353 /nfs/dbraw/zinc/50/63/53/949506353.db2.gz STRKEFFLOFEVPQ-VXGBXAGGSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574470720 949506374 /nfs/dbraw/zinc/50/63/74/949506374.db2.gz STRKEFFLOFEVPQ-VXGBXAGGSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574120821 949507666 /nfs/dbraw/zinc/50/76/66/949507666.db2.gz MTZINGLFFSIFGL-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574120821 949507679 /nfs/dbraw/zinc/50/76/79/949507679.db2.gz MTZINGLFFSIFGL-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574119961 949508625 /nfs/dbraw/zinc/50/86/25/949508625.db2.gz LXJNKGXFDFBXLF-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574119961 949508635 /nfs/dbraw/zinc/50/86/35/949508635.db2.gz LXJNKGXFDFBXLF-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574121413 949511323 /nfs/dbraw/zinc/51/13/23/949511323.db2.gz QBUUWQPUFYKROH-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574121413 949511342 /nfs/dbraw/zinc/51/13/42/949511342.db2.gz QBUUWQPUFYKROH-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574121435 949518296 /nfs/dbraw/zinc/51/82/96/949518296.db2.gz QIIDTTJAEAOXKH-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574121435 949518313 /nfs/dbraw/zinc/51/83/13/949518313.db2.gz QIIDTTJAEAOXKH-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@]1(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CCOC1 ZINC001575538214 949519286 /nfs/dbraw/zinc/51/92/86/949519286.db2.gz FBSBWAZKDHNUED-ROUUACIJSA-N -1 1 384.444 0.512 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574122088 949519901 /nfs/dbraw/zinc/51/99/01/949519901.db2.gz VFERDVAHRVYDJP-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574122088 949519912 /nfs/dbraw/zinc/51/99/12/949519912.db2.gz VFERDVAHRVYDJP-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575538637 949520684 /nfs/dbraw/zinc/52/06/84/949520684.db2.gz HYVHDUKJJQOZAJ-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575538637 949520703 /nfs/dbraw/zinc/52/07/03/949520703.db2.gz HYVHDUKJJQOZAJ-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1nccc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574470906 949524286 /nfs/dbraw/zinc/52/42/86/949524286.db2.gz XWNHMNXDHRISQM-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001576163376 949529190 /nfs/dbraw/zinc/52/91/90/949529190.db2.gz ARCQUQRGBOUICH-RYUDHWBXSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001576163376 949529208 /nfs/dbraw/zinc/52/92/08/949529208.db2.gz ARCQUQRGBOUICH-RYUDHWBXSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872346 949541858 /nfs/dbraw/zinc/54/18/58/949541858.db2.gz IFTKAJLJRYRTQB-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872346 949541872 /nfs/dbraw/zinc/54/18/72/949541872.db2.gz IFTKAJLJRYRTQB-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574950756 949543190 /nfs/dbraw/zinc/54/31/90/949543190.db2.gz UADJQJYYFXXPPL-RQJHMYQMSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574950756 949543204 /nfs/dbraw/zinc/54/32/04/949543204.db2.gz UADJQJYYFXXPPL-RQJHMYQMSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574950754 949545458 /nfs/dbraw/zinc/54/54/58/949545458.db2.gz UADJQJYYFXXPPL-BQBZGAKWSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574950754 949545479 /nfs/dbraw/zinc/54/54/79/949545479.db2.gz UADJQJYYFXXPPL-BQBZGAKWSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576163958 949546497 /nfs/dbraw/zinc/54/64/97/949546497.db2.gz DOWLXXOPPPKLBM-QWHCGFSZSA-N -1 1 386.460 0.735 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574950954 949547236 /nfs/dbraw/zinc/54/72/36/949547236.db2.gz UXIXHVUNPKUXTE-NEPJUHHUSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574950954 949547246 /nfs/dbraw/zinc/54/72/46/949547246.db2.gz UXIXHVUNPKUXTE-NEPJUHHUSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CCOC1 ZINC001575539568 949551748 /nfs/dbraw/zinc/55/17/48/949551748.db2.gz QVOZVVBGQIDIPD-MSOLQXFVSA-N 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C[C@H](CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574472956 949558265 /nfs/dbraw/zinc/55/82/65/949558265.db2.gz WXQJPFSAOVZSGE-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574472956 949558284 /nfs/dbraw/zinc/55/82/84/949558284.db2.gz WXQJPFSAOVZSGE-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711993 949568589 /nfs/dbraw/zinc/56/85/89/949568589.db2.gz PDYFUTZHADJUFX-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711993 949568606 /nfs/dbraw/zinc/56/86/06/949568606.db2.gz PDYFUTZHADJUFX-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576165362 949568886 /nfs/dbraw/zinc/56/88/86/949568886.db2.gz JXEROZMTZKCQOT-IGQOVBAYSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711992 949569358 /nfs/dbraw/zinc/56/93/58/949569358.db2.gz PDYFUTZHADJUFX-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711992 949569374 /nfs/dbraw/zinc/56/93/74/949569374.db2.gz PDYFUTZHADJUFX-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)NCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574124401 949569811 /nfs/dbraw/zinc/56/98/11/949569811.db2.gz GTYYDEZTRBVMBD-SSDOTTSWSA-N -1 1 386.869 0.652 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)NCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574124401 949569821 /nfs/dbraw/zinc/56/98/21/949569821.db2.gz GTYYDEZTRBVMBD-SSDOTTSWSA-N -1 1 386.869 0.652 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873263 949571879 /nfs/dbraw/zinc/57/18/79/949571879.db2.gz AJJVPHFEKHSQDL-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873263 949571906 /nfs/dbraw/zinc/57/19/06/949571906.db2.gz AJJVPHFEKHSQDL-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873265 949577575 /nfs/dbraw/zinc/57/75/75/949577575.db2.gz AJJVPHFEKHSQDL-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873265 949577595 /nfs/dbraw/zinc/57/75/95/949577595.db2.gz AJJVPHFEKHSQDL-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270179 949578491 /nfs/dbraw/zinc/57/84/91/949578491.db2.gz BQCWABSGRIVGOZ-QWHCGFSZSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712391 949578720 /nfs/dbraw/zinc/57/87/20/949578720.db2.gz RYHMGCQXGPWVTQ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270246 949580704 /nfs/dbraw/zinc/58/07/04/949580704.db2.gz BWBJQHCNSXNGOF-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270246 949580717 /nfs/dbraw/zinc/58/07/17/949580717.db2.gz BWBJQHCNSXNGOF-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574475925 949580884 /nfs/dbraw/zinc/58/08/84/949580884.db2.gz DKQSAAYUVLQRCM-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712695 949584096 /nfs/dbraw/zinc/58/40/96/949584096.db2.gz SYGWWLHQPHGWSI-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712695 949584108 /nfs/dbraw/zinc/58/41/08/949584108.db2.gz SYGWWLHQPHGWSI-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574125477 949587570 /nfs/dbraw/zinc/58/75/70/949587570.db2.gz QFBFDHUYCOIFPR-ZDUSSCGKSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574125477 949587593 /nfs/dbraw/zinc/58/75/93/949587593.db2.gz QFBFDHUYCOIFPR-ZDUSSCGKSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712758 949588435 /nfs/dbraw/zinc/58/84/35/949588435.db2.gz UGGNAXNZGFFQNX-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712742 949590397 /nfs/dbraw/zinc/59/03/97/949590397.db2.gz UCIJIAGQIQQGPD-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712899 949590838 /nfs/dbraw/zinc/59/08/38/949590838.db2.gz VBFMYMNJZPYMAQ-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712899 949590852 /nfs/dbraw/zinc/59/08/52/949590852.db2.gz VBFMYMNJZPYMAQ-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1nccnc1-c1nnn[n-]1 ZINC001574713228 949597663 /nfs/dbraw/zinc/59/76/63/949597663.db2.gz WOFXBIATAHXNIX-RISCZKNCSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1nccnc1-c1nn[n-]n1 ZINC001574713228 949597678 /nfs/dbraw/zinc/59/76/78/949597678.db2.gz WOFXBIATAHXNIX-RISCZKNCSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574476324 949599547 /nfs/dbraw/zinc/59/95/47/949599547.db2.gz GNYMGRKNMLKCFQ-NEPJUHHUSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574476324 949599560 /nfs/dbraw/zinc/59/95/60/949599560.db2.gz GNYMGRKNMLKCFQ-NEPJUHHUSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574476455 949602010 /nfs/dbraw/zinc/60/20/10/949602010.db2.gz HFAUBIHQBUKMEJ-SNVBAGLBSA-N -1 1 390.452 0.000 20 0 GCADMM C[C@H](CC(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574476455 949602025 /nfs/dbraw/zinc/60/20/25/949602025.db2.gz HFAUBIHQBUKMEJ-SNVBAGLBSA-N -1 1 390.452 0.000 20 0 GCADMM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574476451 949603456 /nfs/dbraw/zinc/60/34/56/949603456.db2.gz HFAUBIHQBUKMEJ-JTQLQIEISA-N -1 1 390.452 0.000 20 0 GCADMM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574476451 949603474 /nfs/dbraw/zinc/60/34/74/949603474.db2.gz HFAUBIHQBUKMEJ-JTQLQIEISA-N -1 1 390.452 0.000 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576167558 949607755 /nfs/dbraw/zinc/60/77/55/949607755.db2.gz QNBGGKCICRWSDK-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576167558 949607768 /nfs/dbraw/zinc/60/77/68/949607768.db2.gz QNBGGKCICRWSDK-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574713689 949608421 /nfs/dbraw/zinc/60/84/21/949608421.db2.gz BGHOFOXDBLAPQT-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574713689 949608436 /nfs/dbraw/zinc/60/84/36/949608436.db2.gz BGHOFOXDBLAPQT-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576167559 949609210 /nfs/dbraw/zinc/60/92/10/949609210.db2.gz QNBGGKCICRWSDK-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576167559 949609224 /nfs/dbraw/zinc/60/92/24/949609224.db2.gz QNBGGKCICRWSDK-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575546482 949613919 /nfs/dbraw/zinc/61/39/19/949613919.db2.gz QOCSVCBVTCTYCD-IYOUNJFTSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575546482 949613926 /nfs/dbraw/zinc/61/39/26/949613926.db2.gz QOCSVCBVTCTYCD-IYOUNJFTSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574127721 949619971 /nfs/dbraw/zinc/61/99/71/949619971.db2.gz JONXSVGOQXJINM-CYBMUJFWSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574127721 949619982 /nfs/dbraw/zinc/61/99/82/949619982.db2.gz JONXSVGOQXJINM-CYBMUJFWSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574476845 949624200 /nfs/dbraw/zinc/62/42/00/949624200.db2.gz IAYYTZDLTNXGDB-GFCCVEGCSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574476845 949624212 /nfs/dbraw/zinc/62/42/12/949624212.db2.gz IAYYTZDLTNXGDB-GFCCVEGCSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574476874 949626373 /nfs/dbraw/zinc/62/63/73/949626373.db2.gz LDMRJYDUIHQVIR-NEPJUHHUSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574476874 949626380 /nfs/dbraw/zinc/62/63/80/949626380.db2.gz LDMRJYDUIHQVIR-NEPJUHHUSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574714564 949632766 /nfs/dbraw/zinc/63/27/66/949632766.db2.gz FKYAMGDKNVEOGE-VXGBXAGGSA-N -1 1 384.448 0.265 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574129172 949634513 /nfs/dbraw/zinc/63/45/13/949634513.db2.gz RCROBEKNTCQSEJ-LBPRGKRZSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574129172 949634520 /nfs/dbraw/zinc/63/45/20/949634520.db2.gz RCROBEKNTCQSEJ-LBPRGKRZSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574957878 949637044 /nfs/dbraw/zinc/63/70/44/949637044.db2.gz BPGAZLKZPDNTEU-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574957878 949637058 /nfs/dbraw/zinc/63/70/58/949637058.db2.gz BPGAZLKZPDNTEU-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1CCOCC1 ZINC001573814271 949637775 /nfs/dbraw/zinc/63/77/75/949637775.db2.gz COZBGLAFLPUFEC-CYBMUJFWSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574714867 949638046 /nfs/dbraw/zinc/63/80/46/949638046.db2.gz HCDHVSNDMMOPIT-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574714867 949638067 /nfs/dbraw/zinc/63/80/67/949638067.db2.gz HCDHVSNDMMOPIT-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574957956 949643812 /nfs/dbraw/zinc/64/38/12/949643812.db2.gz JZFHVCXBRXXZKS-RBXMUDONSA-N -1 1 383.865 0.810 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574957956 949643823 /nfs/dbraw/zinc/64/38/23/949643823.db2.gz JZFHVCXBRXXZKS-RBXMUDONSA-N -1 1 383.865 0.810 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575876299 949645471 /nfs/dbraw/zinc/64/54/71/949645471.db2.gz JSURBOJDSALMIA-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575876299 949645475 /nfs/dbraw/zinc/64/54/75/949645475.db2.gz JSURBOJDSALMIA-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574477282 949645631 /nfs/dbraw/zinc/64/56/31/949645631.db2.gz PTZDVFNNAOZCBI-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574477282 949645640 /nfs/dbraw/zinc/64/56/40/949645640.db2.gz PTZDVFNNAOZCBI-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001573814760 949646556 /nfs/dbraw/zinc/64/65/56/949646556.db2.gz FNKJHLKXIGDPDQ-CHWSQXEVSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574477283 949646625 /nfs/dbraw/zinc/64/66/25/949646625.db2.gz PTZDVFNNAOZCBI-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574477283 949646641 /nfs/dbraw/zinc/64/66/41/949646641.db2.gz PTZDVFNNAOZCBI-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715609 949654754 /nfs/dbraw/zinc/65/47/54/949654754.db2.gz JKERSAIRZWCHJY-STQMWFEESA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575272984 949655746 /nfs/dbraw/zinc/65/57/46/949655746.db2.gz UFJSVDNWULEPNH-QWHCGFSZSA-N -1 1 381.444 0.802 20 0 GCADMM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574958159 949657977 /nfs/dbraw/zinc/65/79/77/949657977.db2.gz MSAKFLPICNUFAO-HXFLIBJXSA-N -1 1 383.865 0.810 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001573815602 949658513 /nfs/dbraw/zinc/65/85/13/949658513.db2.gz JCTYZQCLMZPWDQ-CHWSQXEVSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168972 949658828 /nfs/dbraw/zinc/65/88/28/949658828.db2.gz DEXHZYSONBGNAC-OCCSQVGLSA-N -1 1 381.444 0.688 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001573815968 949665022 /nfs/dbraw/zinc/66/50/22/949665022.db2.gz MZEBGYCAACQGSA-QFYYESIMSA-N -1 1 378.412 0.150 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1cn[nH]c1 ZINC001573815935 949667793 /nfs/dbraw/zinc/66/77/93/949667793.db2.gz MDWUMNFUABNZGT-ZDUSSCGKSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1cn[nH]c1 ZINC001573815935 949667801 /nfs/dbraw/zinc/66/78/01/949667801.db2.gz MDWUMNFUABNZGT-ZDUSSCGKSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCOCC1 ZINC001573816009 949670108 /nfs/dbraw/zinc/67/01/08/949670108.db2.gz OHCXKQJUZLYFEX-NSHDSACASA-N -1 1 392.439 0.540 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169271 949670728 /nfs/dbraw/zinc/67/07/28/949670728.db2.gz GBVPKYMSNFDNID-ZYHUDNBSSA-N -1 1 383.420 0.057 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCCCC(N)=O ZINC001573816007 949671959 /nfs/dbraw/zinc/67/19/59/949671959.db2.gz OETPGRVSGOPIDN-NSHDSACASA-N -1 1 389.464 0.067 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574477783 949673156 /nfs/dbraw/zinc/67/31/56/949673156.db2.gz RPFRTXCIJYCGSC-SECBINFHSA-N -1 1 388.354 0.478 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574477783 949673170 /nfs/dbraw/zinc/67/31/70/949673170.db2.gz RPFRTXCIJYCGSC-SECBINFHSA-N -1 1 388.354 0.478 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cccn1 ZINC001573816201 949675181 /nfs/dbraw/zinc/67/51/81/949675181.db2.gz PVIXGRVHGYTGPE-LBPRGKRZSA-N -1 1 384.448 0.308 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575273868 949676370 /nfs/dbraw/zinc/67/63/70/949676370.db2.gz YOLWTUJKMNQGPF-RQJHMYQMSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575273868 949676381 /nfs/dbraw/zinc/67/63/81/949676381.db2.gz YOLWTUJKMNQGPF-RQJHMYQMSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878740 949679646 /nfs/dbraw/zinc/67/96/46/949679646.db2.gz OPNAEHOMLLEEIG-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878740 949679661 /nfs/dbraw/zinc/67/96/61/949679661.db2.gz OPNAEHOMLLEEIG-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574132132 949681212 /nfs/dbraw/zinc/68/12/12/949681212.db2.gz QXUMBKZMVGUGHE-SFHVURJKSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574132132 949681225 /nfs/dbraw/zinc/68/12/25/949681225.db2.gz QXUMBKZMVGUGHE-SFHVURJKSA-N -1 1 388.476 0.786 20 0 GCADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575552831 949683958 /nfs/dbraw/zinc/68/39/58/949683958.db2.gz JNCLGWLBMULTJT-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)COC1CCCC1 ZINC001573816671 949686109 /nfs/dbraw/zinc/68/61/09/949686109.db2.gz UKNLMKNWBMMFKJ-ZDUSSCGKSA-N -1 1 388.476 0.981 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573816724 949686298 /nfs/dbraw/zinc/68/62/98/949686298.db2.gz UYFMFEQZKQBLQU-KPZWWZAWSA-N -1 1 388.476 0.573 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1OCCCO1 ZINC001573816921 949689903 /nfs/dbraw/zinc/68/99/03/949689903.db2.gz VNUNPMAWLIPEBL-LLVKDONJSA-N -1 1 390.448 0.175 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879842 949692298 /nfs/dbraw/zinc/69/22/98/949692298.db2.gz RXLCMVJECSDPJB-AAEUAGOBSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879842 949692311 /nfs/dbraw/zinc/69/23/11/949692311.db2.gz RXLCMVJECSDPJB-AAEUAGOBSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879844 949694848 /nfs/dbraw/zinc/69/48/48/949694848.db2.gz RXLCMVJECSDPJB-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879844 949694874 /nfs/dbraw/zinc/69/48/74/949694874.db2.gz RXLCMVJECSDPJB-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)c(F)c1 ZINC001575275409 949695537 /nfs/dbraw/zinc/69/55/37/949695537.db2.gz CGVIMUJJPGKNOJ-QMMMGPOBSA-N -1 1 391.338 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001574478121 949698031 /nfs/dbraw/zinc/69/80/31/949698031.db2.gz XTSFDVXUSWQHMD-OLZOCXBDSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574478121 949698044 /nfs/dbraw/zinc/69/80/44/949698044.db2.gz XTSFDVXUSWQHMD-OLZOCXBDSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880235 949698253 /nfs/dbraw/zinc/69/82/53/949698253.db2.gz SOCAFWVDTFLUFD-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880235 949698265 /nfs/dbraw/zinc/69/82/65/949698265.db2.gz SOCAFWVDTFLUFD-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574478131 949698409 /nfs/dbraw/zinc/69/84/09/949698409.db2.gz XUQZDYRDKAHAAD-QWHCGFSZSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574478131 949698417 /nfs/dbraw/zinc/69/84/17/949698417.db2.gz XUQZDYRDKAHAAD-QWHCGFSZSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880236 949699973 /nfs/dbraw/zinc/69/99/73/949699973.db2.gz SOCAFWVDTFLUFD-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880236 949699985 /nfs/dbraw/zinc/69/99/85/949699985.db2.gz SOCAFWVDTFLUFD-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170250 949711934 /nfs/dbraw/zinc/71/19/34/949711934.db2.gz JQKOJSMVMGSDHE-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170250 949711954 /nfs/dbraw/zinc/71/19/54/949711954.db2.gz JQKOJSMVMGSDHE-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574478508 949712411 /nfs/dbraw/zinc/71/24/11/949712411.db2.gz ZVONKCZZKOQGLM-QWHCGFSZSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574478508 949712425 /nfs/dbraw/zinc/71/24/25/949712425.db2.gz ZVONKCZZKOQGLM-QWHCGFSZSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574959850 949718160 /nfs/dbraw/zinc/71/81/60/949718160.db2.gz VIBVTFJCANKUST-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574959848 949721081 /nfs/dbraw/zinc/72/10/81/949721081.db2.gz VFELAOYEMYKVAC-KWCYVHTRSA-N -1 1 386.460 0.884 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574959848 949721089 /nfs/dbraw/zinc/72/10/89/949721089.db2.gz VFELAOYEMYKVAC-KWCYVHTRSA-N -1 1 386.460 0.884 20 0 GCADMM C[C@]12CN(C(=O)[C@@]3(C)CCCOC3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575557399 949722624 /nfs/dbraw/zinc/72/26/24/949722624.db2.gz IYDDQSVENCXOGP-VMDGZTHMSA-N -1 1 398.471 0.758 20 0 GCADMM C[C@]12CN(C(=O)[C@@]3(C)CCCOC3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575557399 949722647 /nfs/dbraw/zinc/72/26/47/949722647.db2.gz IYDDQSVENCXOGP-VMDGZTHMSA-N -1 1 398.471 0.758 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881464 949724904 /nfs/dbraw/zinc/72/49/04/949724904.db2.gz XXJLILYMOGDCLL-GXTWGEPZSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881464 949724913 /nfs/dbraw/zinc/72/49/13/949724913.db2.gz XXJLILYMOGDCLL-GXTWGEPZSA-N -1 1 379.428 0.768 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cccn1 ZINC001573818227 949726897 /nfs/dbraw/zinc/72/68/97/949726897.db2.gz IQVPHOWTKHDEKA-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cccn1 ZINC001573818227 949726910 /nfs/dbraw/zinc/72/69/10/949726910.db2.gz IQVPHOWTKHDEKA-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573818235 949728052 /nfs/dbraw/zinc/72/80/52/949728052.db2.gz IRWVFBPGBGGDTA-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573818235 949728070 /nfs/dbraw/zinc/72/80/70/949728070.db2.gz IRWVFBPGBGGDTA-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)C1CC1 ZINC001573818329 949730583 /nfs/dbraw/zinc/73/05/83/949730583.db2.gz LAXAXWCMBIUCGB-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)C1CC1 ZINC001573818329 949730597 /nfs/dbraw/zinc/73/05/97/949730597.db2.gz LAXAXWCMBIUCGB-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCOC1 ZINC001575558703 949740836 /nfs/dbraw/zinc/74/08/36/949740836.db2.gz QTTSJKMZMXTMPF-VBHSOAQHSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575277184 949746600 /nfs/dbraw/zinc/74/66/00/949746600.db2.gz OQAJSBXXNJIKDY-NEPJUHHUSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575277184 949746619 /nfs/dbraw/zinc/74/66/19/949746619.db2.gz OQAJSBXXNJIKDY-NEPJUHHUSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574480242 949747841 /nfs/dbraw/zinc/74/78/41/949747841.db2.gz HYBABHNNTIUFTK-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574480242 949747849 /nfs/dbraw/zinc/74/78/49/949747849.db2.gz HYBABHNNTIUFTK-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574480443 949749231 /nfs/dbraw/zinc/74/92/31/949749231.db2.gz ILYRGNXNANQZRU-GXTWGEPZSA-N -1 1 379.428 0.680 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574480500 949752556 /nfs/dbraw/zinc/75/25/56/949752556.db2.gz JHUQCJFFITWHRV-UWVGGRQHSA-N -1 1 384.366 0.928 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171149 949752687 /nfs/dbraw/zinc/75/26/87/949752687.db2.gz PFGHCDRLPZRKMQ-CHWSQXEVSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171149 949752701 /nfs/dbraw/zinc/75/27/01/949752701.db2.gz PFGHCDRLPZRKMQ-CHWSQXEVSA-N -1 1 382.432 0.592 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001573819737 949752829 /nfs/dbraw/zinc/75/28/29/949752829.db2.gz UMLSDRBAZZYZTM-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001573819737 949752846 /nfs/dbraw/zinc/75/28/46/949752846.db2.gz UMLSDRBAZZYZTM-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573819784 949757449 /nfs/dbraw/zinc/75/74/49/949757449.db2.gz VDNCSLXXWDEEFP-JQWIXIFHSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573819784 949757464 /nfs/dbraw/zinc/75/74/64/949757464.db2.gz VDNCSLXXWDEEFP-JQWIXIFHSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573819836 949757487 /nfs/dbraw/zinc/75/74/87/949757487.db2.gz WCRNYNNFWGCTDP-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573819836 949757502 /nfs/dbraw/zinc/75/75/02/949757502.db2.gz WCRNYNNFWGCTDP-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574480961 949763967 /nfs/dbraw/zinc/76/39/67/949763967.db2.gz LRSQNVCRJHICGG-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574480961 949763983 /nfs/dbraw/zinc/76/39/83/949763983.db2.gz LRSQNVCRJHICGG-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574481225 949767010 /nfs/dbraw/zinc/76/70/10/949767010.db2.gz NLYFOYKNNLSFHA-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574481225 949767026 /nfs/dbraw/zinc/76/70/26/949767026.db2.gz NLYFOYKNNLSFHA-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882298 949769166 /nfs/dbraw/zinc/76/91/66/949769166.db2.gz ILMQHANWZOLQCO-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H](CC(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574481217 949770513 /nfs/dbraw/zinc/77/05/13/949770513.db2.gz NILPAXSPAQAPKS-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574481217 949770522 /nfs/dbraw/zinc/77/05/22/949770522.db2.gz NILPAXSPAQAPKS-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718274 949771081 /nfs/dbraw/zinc/77/10/81/949771081.db2.gz UVECPQKTSHUWCB-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718274 949771089 /nfs/dbraw/zinc/77/10/89/949771089.db2.gz UVECPQKTSHUWCB-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718278 949771795 /nfs/dbraw/zinc/77/17/95/949771795.db2.gz UVECPQKTSHUWCB-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718278 949771823 /nfs/dbraw/zinc/77/18/23/949771823.db2.gz UVECPQKTSHUWCB-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171829 949780194 /nfs/dbraw/zinc/78/01/94/949780194.db2.gz SZKKXQYKACNNEH-STQMWFEESA-N -1 1 382.432 0.014 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCn1cc(Cl)cn1 ZINC001575279239 949780285 /nfs/dbraw/zinc/78/02/85/949780285.db2.gz XQXHMHKUFYUIOQ-VHSXEESVSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCn1cc(Cl)cn1 ZINC001575279239 949780295 /nfs/dbraw/zinc/78/02/95/949780295.db2.gz XQXHMHKUFYUIOQ-VHSXEESVSA-N -1 1 390.839 0.902 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001573822209 949787409 /nfs/dbraw/zinc/78/74/09/949787409.db2.gz GRUVWIBZLLFMHG-MNOVXSKESA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001573822209 949787427 /nfs/dbraw/zinc/78/74/27/949787427.db2.gz GRUVWIBZLLFMHG-MNOVXSKESA-N -1 1 376.421 0.015 20 0 GCADMM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574964969 949790185 /nfs/dbraw/zinc/79/01/85/949790185.db2.gz CLUUPOIGNBEGPY-UANNBLPKSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CN(C)C(=O)CCOC1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574720524 949793051 /nfs/dbraw/zinc/79/30/51/949793051.db2.gz BMZCOHXOSCGXSK-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CN(C)C(=O)CCOC1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574720524 949793065 /nfs/dbraw/zinc/79/30/65/949793065.db2.gz BMZCOHXOSCGXSK-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574481688 949794582 /nfs/dbraw/zinc/79/45/82/949794582.db2.gz TZPQVJARNOACNC-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574481688 949794597 /nfs/dbraw/zinc/79/45/97/949794597.db2.gz TZPQVJARNOACNC-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720631 949798372 /nfs/dbraw/zinc/79/83/72/949798372.db2.gz DYKOWHMZIUGDEL-ZDUSSCGKSA-N -1 1 382.428 0.807 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575281092 949800087 /nfs/dbraw/zinc/80/00/87/949800087.db2.gz CWFMKTHZROJNMQ-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575281092 949800106 /nfs/dbraw/zinc/80/01/06/949800106.db2.gz CWFMKTHZROJNMQ-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574720643 949801132 /nfs/dbraw/zinc/80/11/32/949801132.db2.gz FFLVWXBLMZAWHR-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574720643 949801159 /nfs/dbraw/zinc/80/11/59/949801159.db2.gz FFLVWXBLMZAWHR-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573822634 949802025 /nfs/dbraw/zinc/80/20/25/949802025.db2.gz LFOUODRIZQVYPK-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573822634 949802049 /nfs/dbraw/zinc/80/20/49/949802049.db2.gz LFOUODRIZQVYPK-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCCC(N)=O ZINC001573822760 949803607 /nfs/dbraw/zinc/80/36/07/949803607.db2.gz MENHALMFWOMCHU-JTQLQIEISA-N -1 1 375.437 0.255 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCCC(N)=O ZINC001573822760 949803632 /nfs/dbraw/zinc/80/36/32/949803632.db2.gz MENHALMFWOMCHU-JTQLQIEISA-N -1 1 375.437 0.255 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)CCOC1 ZINC001575561066 949804386 /nfs/dbraw/zinc/80/43/86/949804386.db2.gz YXFOWUNIBDTJAE-CXAGYDPISA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)CCOC1 ZINC001575561066 949804408 /nfs/dbraw/zinc/80/44/08/949804408.db2.gz YXFOWUNIBDTJAE-CXAGYDPISA-N -1 1 384.444 0.558 20 0 GCADMM CC(C)(C)C(F)(F)CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573822629 949804691 /nfs/dbraw/zinc/80/46/91/949804691.db2.gz LCVCEWRJTGPAOM-UHFFFAOYSA-N -1 1 386.363 0.110 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573822964 949807577 /nfs/dbraw/zinc/80/75/77/949807577.db2.gz OKVLBAIOWTYAFE-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573822964 949807595 /nfs/dbraw/zinc/80/75/95/949807595.db2.gz OKVLBAIOWTYAFE-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576172566 949812047 /nfs/dbraw/zinc/81/20/47/949812047.db2.gz XHGHEWHWTMGQSU-WCQYABFASA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576172566 949812076 /nfs/dbraw/zinc/81/20/76/949812076.db2.gz XHGHEWHWTMGQSU-WCQYABFASA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172599 949812687 /nfs/dbraw/zinc/81/26/87/949812687.db2.gz XUWDXTXATJHCST-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172598 949813604 /nfs/dbraw/zinc/81/36/04/949813604.db2.gz XUWDXTXATJHCST-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574482074 949819334 /nfs/dbraw/zinc/81/93/34/949819334.db2.gz ZZKOQUMUYMVMGE-GFCCVEGCSA-N -1 1 382.432 0.329 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573823272 949824338 /nfs/dbraw/zinc/82/43/38/949824338.db2.gz STCCDXJUQBDVSP-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573823272 949824363 /nfs/dbraw/zinc/82/43/63/949824363.db2.gz STCCDXJUQBDVSP-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575281892 949824859 /nfs/dbraw/zinc/82/48/59/949824859.db2.gz HVHLVXNRTCBRTK-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575281892 949824876 /nfs/dbraw/zinc/82/48/76/949824876.db2.gz HVHLVXNRTCBRTK-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575282430 949831039 /nfs/dbraw/zinc/83/10/39/949831039.db2.gz BMPHDMVHLGIIFE-RYUDHWBXSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575282430 949831062 /nfs/dbraw/zinc/83/10/62/949831062.db2.gz BMPHDMVHLGIIFE-RYUDHWBXSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574966243 949839724 /nfs/dbraw/zinc/83/97/24/949839724.db2.gz VIKDMDMYUHOHAG-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574966243 949839748 /nfs/dbraw/zinc/83/97/48/949839748.db2.gz VIKDMDMYUHOHAG-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884236 949840027 /nfs/dbraw/zinc/84/00/27/949840027.db2.gz HRIQQFGQWDRJJZ-MWLCHTKSSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574966513 949847954 /nfs/dbraw/zinc/84/79/54/949847954.db2.gz ZVYJWINQFDTJPC-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574966513 949847972 /nfs/dbraw/zinc/84/79/72/949847972.db2.gz ZVYJWINQFDTJPC-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM CC1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCOCC1 ZINC001575563906 949850401 /nfs/dbraw/zinc/85/04/01/949850401.db2.gz MZRSEHOHKCOORX-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCOCC1 ZINC001575563906 949850414 /nfs/dbraw/zinc/85/04/14/949850414.db2.gz MZRSEHOHKCOORX-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575283153 949858580 /nfs/dbraw/zinc/85/85/80/949858580.db2.gz NYYNCDKLMMIDKU-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574966927 949861326 /nfs/dbraw/zinc/86/13/26/949861326.db2.gz CRSGSWVGPBOUFS-JTQLQIEISA-N -1 1 382.432 0.134 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574966927 949861348 /nfs/dbraw/zinc/86/13/48/949861348.db2.gz CRSGSWVGPBOUFS-JTQLQIEISA-N -1 1 382.432 0.134 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574484125 949861747 /nfs/dbraw/zinc/86/17/47/949861747.db2.gz VYWPZUSQYQTWNB-AAEUAGOBSA-N -1 1 382.432 0.019 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575885529 949863854 /nfs/dbraw/zinc/86/38/54/949863854.db2.gz WYXDWHMLYJUMCT-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575885529 949863880 /nfs/dbraw/zinc/86/38/80/949863880.db2.gz WYXDWHMLYJUMCT-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177885 949867660 /nfs/dbraw/zinc/86/76/60/949867660.db2.gz CWWJTCLAPMCUFA-MWLCHTKSSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@H](CCNC(=O)C(=O)N1CCC(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576177998 949868986 /nfs/dbraw/zinc/86/89/86/949868986.db2.gz FNRSKRNOAVSORA-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CCNC(=O)C(=O)N1CCC(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576177998 949869007 /nfs/dbraw/zinc/86/90/07/949869007.db2.gz FNRSKRNOAVSORA-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574484232 949871698 /nfs/dbraw/zinc/87/16/98/949871698.db2.gz FXTFOJCJUMABIW-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574484232 949871724 /nfs/dbraw/zinc/87/17/24/949871724.db2.gz FXTFOJCJUMABIW-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575886151 949878589 /nfs/dbraw/zinc/87/85/89/949878589.db2.gz XHKDBMJZVZWTDF-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575886151 949878609 /nfs/dbraw/zinc/87/86/09/949878609.db2.gz XHKDBMJZVZWTDF-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM CC(C)(C)C1CC(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573825417 949878955 /nfs/dbraw/zinc/87/89/55/949878955.db2.gz UZEYRMBJNJMENO-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM CC(C)(C)C1CC(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573825417 949878962 /nfs/dbraw/zinc/87/89/62/949878962.db2.gz UZEYRMBJNJMENO-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178461 949885483 /nfs/dbraw/zinc/88/54/83/949885483.db2.gz BPPBJNHIRXNYOO-AAEUAGOBSA-N -1 1 382.432 0.165 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)C1 ZINC001573825534 949886015 /nfs/dbraw/zinc/88/60/15/949886015.db2.gz ZPXMUWJCWBIANT-GVOSGWPFSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)C1 ZINC001573825534 949886039 /nfs/dbraw/zinc/88/60/39/949886039.db2.gz ZPXMUWJCWBIANT-GVOSGWPFSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574484591 949886421 /nfs/dbraw/zinc/88/64/21/949886421.db2.gz KLNDBESGJDRIDD-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574484593 949889646 /nfs/dbraw/zinc/88/96/46/949889646.db2.gz KLNDBESGJDRIDD-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](NC(=O)COc1ccccc1F)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575284003 949892339 /nfs/dbraw/zinc/89/23/39/949892339.db2.gz SLFDSXTUWDIGPO-GHMZBOCLSA-N -1 1 386.391 0.602 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575284607 949910820 /nfs/dbraw/zinc/91/08/20/949910820.db2.gz KAHOQDMRACOUDU-VXGBXAGGSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575284607 949910833 /nfs/dbraw/zinc/91/08/33/949910833.db2.gz KAHOQDMRACOUDU-VXGBXAGGSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574484934 949915669 /nfs/dbraw/zinc/91/56/69/949915669.db2.gz RYPHMJOYNBYOMT-ZIAGYGMSSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575284829 949920551 /nfs/dbraw/zinc/92/05/51/949920551.db2.gz WWLBPJXUPAYWPE-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575284829 949920561 /nfs/dbraw/zinc/92/05/61/949920561.db2.gz WWLBPJXUPAYWPE-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179846 949929277 /nfs/dbraw/zinc/92/92/77/949929277.db2.gz MFZDZOBJMXIZAH-BXKDBHETSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179846 949929289 /nfs/dbraw/zinc/92/92/89/949929289.db2.gz MFZDZOBJMXIZAH-BXKDBHETSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575285066 949933012 /nfs/dbraw/zinc/93/30/12/949933012.db2.gz XVELUKWQWBESPV-VHSXEESVSA-N -1 1 383.416 0.492 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180017 949933658 /nfs/dbraw/zinc/93/36/58/949933658.db2.gz GQSDHZOIJSJXID-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180017 949933673 /nfs/dbraw/zinc/93/36/73/949933673.db2.gz GQSDHZOIJSJXID-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575889797 949936523 /nfs/dbraw/zinc/93/65/23/949936523.db2.gz TYPGLKIQQSHSGF-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575889797 949936537 /nfs/dbraw/zinc/93/65/37/949936537.db2.gz TYPGLKIQQSHSGF-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726327 949936718 /nfs/dbraw/zinc/93/67/18/949936718.db2.gz ZDCMCVSPIWJEEC-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726327 949936732 /nfs/dbraw/zinc/93/67/32/949936732.db2.gz ZDCMCVSPIWJEEC-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575285251 949936840 /nfs/dbraw/zinc/93/68/40/949936840.db2.gz LYUHVWFEJKUYQJ-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575285251 949936850 /nfs/dbraw/zinc/93/68/50/949936850.db2.gz LYUHVWFEJKUYQJ-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575285255 949940382 /nfs/dbraw/zinc/94/03/82/949940382.db2.gz LYUHVWFEJKUYQJ-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575285255 949940400 /nfs/dbraw/zinc/94/04/00/949940400.db2.gz LYUHVWFEJKUYQJ-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574488070 949944112 /nfs/dbraw/zinc/94/41/12/949944112.db2.gz DBJYVHUNYKFJLO-JSGCOSHPSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726921 949951705 /nfs/dbraw/zinc/95/17/05/949951705.db2.gz MMGKBWVXSJRNNA-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726921 949951722 /nfs/dbraw/zinc/95/17/22/949951722.db2.gz MMGKBWVXSJRNNA-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727037 949951801 /nfs/dbraw/zinc/95/18/01/949951801.db2.gz NWVYGJSILIRVHV-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727037 949951815 /nfs/dbraw/zinc/95/18/15/949951815.db2.gz NWVYGJSILIRVHV-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)CCCCC1 ZINC001575571237 949955842 /nfs/dbraw/zinc/95/58/42/949955842.db2.gz ZDUVWTLHCFUWOE-GXTWGEPZSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)CCCCC1 ZINC001575571237 949955860 /nfs/dbraw/zinc/95/58/60/949955860.db2.gz ZDUVWTLHCFUWOE-GXTWGEPZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180508 949958446 /nfs/dbraw/zinc/95/84/46/949958446.db2.gz DTFUXFADBWCFCH-NEPJUHHUSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180508 949958465 /nfs/dbraw/zinc/95/84/65/949958465.db2.gz DTFUXFADBWCFCH-NEPJUHHUSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727291 949958934 /nfs/dbraw/zinc/95/89/34/949958934.db2.gz RIGWMWWLEILXKQ-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727291 949958952 /nfs/dbraw/zinc/95/89/52/949958952.db2.gz RIGWMWWLEILXKQ-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285708 949960287 /nfs/dbraw/zinc/96/02/87/949960287.db2.gz QGKBYXYXLFDXNM-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285708 949960300 /nfs/dbraw/zinc/96/03/00/949960300.db2.gz QGKBYXYXLFDXNM-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180527 949960575 /nfs/dbraw/zinc/96/05/75/949960575.db2.gz DYDJTRPGOYXWIV-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180527 949960590 /nfs/dbraw/zinc/96/05/90/949960590.db2.gz DYDJTRPGOYXWIV-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180538 949960745 /nfs/dbraw/zinc/96/07/45/949960745.db2.gz OUYQBHGEXHNFPX-JOYOIKCWSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180538 949960769 /nfs/dbraw/zinc/96/07/69/949960769.db2.gz OUYQBHGEXHNFPX-JOYOIKCWSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180526 949961763 /nfs/dbraw/zinc/96/17/63/949961763.db2.gz DYDJTRPGOYXWIV-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180526 949961781 /nfs/dbraw/zinc/96/17/81/949961781.db2.gz DYDJTRPGOYXWIV-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574489341 949962063 /nfs/dbraw/zinc/96/20/63/949962063.db2.gz IUGRLEWMCHJBMR-AVGNSLFASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574489341 949962086 /nfs/dbraw/zinc/96/20/86/949962086.db2.gz IUGRLEWMCHJBMR-AVGNSLFASA-N -1 1 380.416 0.294 20 0 GCADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)C1(C)CCOCC1 ZINC001575571990 949963243 /nfs/dbraw/zinc/96/32/43/949963243.db2.gz CAKOYWYVINPGDO-LBPRGKRZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574489340 949964408 /nfs/dbraw/zinc/96/44/08/949964408.db2.gz IUGRLEWMCHJBMR-AGIUHOORSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574489340 949964431 /nfs/dbraw/zinc/96/44/31/949964431.db2.gz IUGRLEWMCHJBMR-AGIUHOORSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1ccnc1 ZINC001574489630 949965319 /nfs/dbraw/zinc/96/53/19/949965319.db2.gz JYJBJVCOGNMIQD-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574489630 949965337 /nfs/dbraw/zinc/96/53/37/949965337.db2.gz JYJBJVCOGNMIQD-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576180670 949972624 /nfs/dbraw/zinc/97/26/24/949972624.db2.gz QDJZZRAZSCRISW-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576180670 949972643 /nfs/dbraw/zinc/97/26/43/949972643.db2.gz QDJZZRAZSCRISW-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180900 949976351 /nfs/dbraw/zinc/97/63/51/949976351.db2.gz FYZQUUIBUOZQRT-GXTWGEPZSA-N -1 1 384.444 0.669 20 0 GCADMM C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575286397 949979923 /nfs/dbraw/zinc/97/99/23/949979923.db2.gz VVJBKDPKTKUUQN-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575286397 949979935 /nfs/dbraw/zinc/97/99/35/949979935.db2.gz VVJBKDPKTKUUQN-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180958 949981640 /nfs/dbraw/zinc/98/16/40/949981640.db2.gz KJZBWLRGSOUQAE-ZJUUUORDSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180958 949981659 /nfs/dbraw/zinc/98/16/59/949981659.db2.gz KJZBWLRGSOUQAE-ZJUUUORDSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180924 949981697 /nfs/dbraw/zinc/98/16/97/949981697.db2.gz GBULJVXQXIUHOD-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180924 949981714 /nfs/dbraw/zinc/98/17/14/949981714.db2.gz GBULJVXQXIUHOD-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181014 949984975 /nfs/dbraw/zinc/98/49/75/949984975.db2.gz RDPYXKZNPIRWLV-PWSUYJOCSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181014 949984995 /nfs/dbraw/zinc/98/49/95/949984995.db2.gz RDPYXKZNPIRWLV-PWSUYJOCSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574490354 949990783 /nfs/dbraw/zinc/99/07/83/949990783.db2.gz QENRAVFNBHCPIN-FZMZJTMJSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574490354 949990808 /nfs/dbraw/zinc/99/08/08/949990808.db2.gz QENRAVFNBHCPIN-FZMZJTMJSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(F)nc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891272 949994490 /nfs/dbraw/zinc/99/44/90/949994490.db2.gz HFFQSCFFOJKQAX-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001575289656 949999381 /nfs/dbraw/zinc/99/93/81/949999381.db2.gz BAEONCMOBBFRBZ-NEPJUHHUSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001575289656 949999406 /nfs/dbraw/zinc/99/94/06/949999406.db2.gz BAEONCMOBBFRBZ-NEPJUHHUSA-N -1 1 384.448 0.982 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574490527 950003618 /nfs/dbraw/zinc/00/36/18/950003618.db2.gz UGOWSSIIWMZEAO-MBNYWOFBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574490527 950003638 /nfs/dbraw/zinc/00/36/38/950003638.db2.gz UGOWSSIIWMZEAO-MBNYWOFBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181460 950006526 /nfs/dbraw/zinc/00/65/26/950006526.db2.gz UPZKOPKEDYWUMY-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181460 950006547 /nfs/dbraw/zinc/00/65/47/950006547.db2.gz UPZKOPKEDYWUMY-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181613 950010536 /nfs/dbraw/zinc/01/05/36/950010536.db2.gz VDFCWSXORXBCNL-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181613 950010557 /nfs/dbraw/zinc/01/05/57/950010557.db2.gz VDFCWSXORXBCNL-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574729073 950016520 /nfs/dbraw/zinc/01/65/20/950016520.db2.gz NDJGKZUOYUHSFG-JTQLQIEISA-N -1 1 388.382 0.858 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181773 950019996 /nfs/dbraw/zinc/01/99/96/950019996.db2.gz MQEAGDCLLRCMLA-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181773 950020017 /nfs/dbraw/zinc/02/00/17/950020017.db2.gz MQEAGDCLLRCMLA-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181795 950022557 /nfs/dbraw/zinc/02/25/57/950022557.db2.gz MQJXVNGNCHWJDM-TZMCWYRMSA-N -1 1 381.444 0.770 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccncc1 ZINC001574491282 950026811 /nfs/dbraw/zinc/02/68/11/950026811.db2.gz BSKNOQAPMDIAMH-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccncc1 ZINC001574491282 950026831 /nfs/dbraw/zinc/02/68/31/950026831.db2.gz BSKNOQAPMDIAMH-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccncc1 ZINC001574491279 950028870 /nfs/dbraw/zinc/02/88/70/950028870.db2.gz BSKNOQAPMDIAMH-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccncc1 ZINC001574491279 950028893 /nfs/dbraw/zinc/02/88/93/950028893.db2.gz BSKNOQAPMDIAMH-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001574491286 950031893 /nfs/dbraw/zinc/03/18/93/950031893.db2.gz BYAXDJMFTWFMAA-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574491286 950031917 /nfs/dbraw/zinc/03/19/17/950031917.db2.gz BYAXDJMFTWFMAA-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574731595 950057571 /nfs/dbraw/zinc/05/75/71/950057571.db2.gz XXRXGXWBPZSBLX-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574731595 950057595 /nfs/dbraw/zinc/05/75/95/950057595.db2.gz XXRXGXWBPZSBLX-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182636 950058681 /nfs/dbraw/zinc/05/86/81/950058681.db2.gz OUAIHFDGUVRWQZ-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182636 950058700 /nfs/dbraw/zinc/05/87/00/950058700.db2.gz OUAIHFDGUVRWQZ-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182579 950058805 /nfs/dbraw/zinc/05/88/05/950058805.db2.gz ORNGIXPVPHDAJD-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182579 950058827 /nfs/dbraw/zinc/05/88/27/950058827.db2.gz ORNGIXPVPHDAJD-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574492352 950075292 /nfs/dbraw/zinc/07/52/92/950075292.db2.gz MHAHNZWRSZRTAS-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575893613 950090105 /nfs/dbraw/zinc/09/01/05/950090105.db2.gz AXHBDNBYSLZDST-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575893613 950090127 /nfs/dbraw/zinc/09/01/27/950090127.db2.gz AXHBDNBYSLZDST-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)CCCCC1 ZINC001575582037 950093824 /nfs/dbraw/zinc/09/38/24/950093824.db2.gz CIWJSDFKSWVIII-GOSISDBHSA-N -1 1 386.460 0.685 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)CCCCC1 ZINC001575582037 950093841 /nfs/dbraw/zinc/09/38/41/950093841.db2.gz CIWJSDFKSWVIII-GOSISDBHSA-N -1 1 386.460 0.685 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573836793 950093964 /nfs/dbraw/zinc/09/39/64/950093964.db2.gz REOQZBLIGCGJGC-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573836793 950093986 /nfs/dbraw/zinc/09/39/86/950093986.db2.gz REOQZBLIGCGJGC-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733160 950095464 /nfs/dbraw/zinc/09/54/64/950095464.db2.gz UKJIKIMLXBOTCU-SECBINFHSA-N -1 1 392.374 0.172 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001574492631 950097410 /nfs/dbraw/zinc/09/74/10/950097410.db2.gz CETUGMZZUVULNJ-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001574492631 950097429 /nfs/dbraw/zinc/09/74/29/950097429.db2.gz CETUGMZZUVULNJ-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733161 950098040 /nfs/dbraw/zinc/09/80/40/950098040.db2.gz UKJIKIMLXBOTCU-VIFPVBQESA-N -1 1 392.374 0.172 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183691 950099797 /nfs/dbraw/zinc/09/97/97/950099797.db2.gz SOYWYUFRCDTIOD-GXTWGEPZSA-N -1 1 379.428 0.826 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575582218 950109109 /nfs/dbraw/zinc/10/91/09/950109109.db2.gz BTPDMJGBCJLERF-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575582218 950109128 /nfs/dbraw/zinc/10/91/28/950109128.db2.gz BTPDMJGBCJLERF-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574492994 950113320 /nfs/dbraw/zinc/11/33/20/950113320.db2.gz QDZORJVVWHUKLQ-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574492994 950113336 /nfs/dbraw/zinc/11/33/36/950113336.db2.gz QDZORJVVWHUKLQ-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184067 950114399 /nfs/dbraw/zinc/11/43/99/950114399.db2.gz SNEQVEOXQMFSDH-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184067 950114413 /nfs/dbraw/zinc/11/44/13/950114413.db2.gz SNEQVEOXQMFSDH-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184076 950115616 /nfs/dbraw/zinc/11/56/16/950115616.db2.gz SRBDGZZKVUVMKQ-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184076 950115629 /nfs/dbraw/zinc/11/56/29/950115629.db2.gz SRBDGZZKVUVMKQ-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574493205 950116556 /nfs/dbraw/zinc/11/65/56/950116556.db2.gz FLHHOEDLSZMTKT-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184159 950117660 /nfs/dbraw/zinc/11/76/60/950117660.db2.gz USLZDAYURXCOQZ-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184159 950117677 /nfs/dbraw/zinc/11/76/77/950117677.db2.gz USLZDAYURXCOQZ-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493254 950122800 /nfs/dbraw/zinc/12/28/00/950122800.db2.gz RIJOGMVDFUWXJF-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493254 950122818 /nfs/dbraw/zinc/12/28/18/950122818.db2.gz RIJOGMVDFUWXJF-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184340 950123868 /nfs/dbraw/zinc/12/38/68/950123868.db2.gz UXRGCYQIEQXABC-YPMHNXCESA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184340 950123875 /nfs/dbraw/zinc/12/38/75/950123875.db2.gz UXRGCYQIEQXABC-YPMHNXCESA-N -1 1 383.416 0.784 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575583065 950137087 /nfs/dbraw/zinc/13/70/87/950137087.db2.gz JTODFYBPEAQGLP-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575583065 950137102 /nfs/dbraw/zinc/13/71/02/950137102.db2.gz JTODFYBPEAQGLP-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)(C)CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1)C(N)=O ZINC001573842377 950140899 /nfs/dbraw/zinc/14/08/99/950140899.db2.gz BTYVHXCPPDLDHY-GFCCVEGCSA-N -1 1 384.437 0.964 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184742 950142752 /nfs/dbraw/zinc/14/27/52/950142752.db2.gz XJTQZGQBSIAVRZ-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184742 950142760 /nfs/dbraw/zinc/14/27/60/950142760.db2.gz XJTQZGQBSIAVRZ-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001573842448 950144255 /nfs/dbraw/zinc/14/42/55/950144255.db2.gz DFNTYLZLGVPNLF-CHWSQXEVSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573842448 950144266 /nfs/dbraw/zinc/14/42/66/950144266.db2.gz DFNTYLZLGVPNLF-CHWSQXEVSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)CCC(=O)NC1 ZINC001575583790 950153351 /nfs/dbraw/zinc/15/33/51/950153351.db2.gz UPFHDFGXYJLMRM-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)CCC(=O)NC1 ZINC001575583790 950153364 /nfs/dbraw/zinc/15/33/64/950153364.db2.gz UPFHDFGXYJLMRM-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@H](CC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574494217 950154722 /nfs/dbraw/zinc/15/47/22/950154722.db2.gz XXFRZHHCGSOYFS-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574494217 950154731 /nfs/dbraw/zinc/15/47/31/950154731.db2.gz XXFRZHHCGSOYFS-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185087 950155926 /nfs/dbraw/zinc/15/59/26/950155926.db2.gz ZGUVXYQQYHKHPI-VXGBXAGGSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185087 950155942 /nfs/dbraw/zinc/15/59/42/950155942.db2.gz ZGUVXYQQYHKHPI-VXGBXAGGSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001574494198 950156946 /nfs/dbraw/zinc/15/69/46/950156946.db2.gz JHKFXRKZUHRASD-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001574494198 950156962 /nfs/dbraw/zinc/15/69/62/950156962.db2.gz JHKFXRKZUHRASD-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCCC2)CCCOC1 ZINC001575584093 950161878 /nfs/dbraw/zinc/16/18/78/950161878.db2.gz VLTCPURZPUFLCT-KRWDZBQOSA-N -1 1 386.460 0.736 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190535 950163980 /nfs/dbraw/zinc/16/39/80/950163980.db2.gz AKRDXNTXEOMCIF-RYUDHWBXSA-N -1 1 382.432 0.022 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190533 950164901 /nfs/dbraw/zinc/16/49/01/950164901.db2.gz AKRDXNTXEOMCIF-NEPJUHHUSA-N -1 1 382.432 0.022 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574494511 950165475 /nfs/dbraw/zinc/16/54/75/950165475.db2.gz KKMWESPUOBSMIM-RYUDHWBXSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574494511 950165488 /nfs/dbraw/zinc/16/54/88/950165488.db2.gz KKMWESPUOBSMIM-RYUDHWBXSA-N -1 1 384.448 0.525 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574154343 950168359 /nfs/dbraw/zinc/16/83/59/950168359.db2.gz DHUAPIVCDGBBSH-UGSOOPFHSA-N -1 1 388.476 0.573 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1)NC(N)=O ZINC001574494567 950171166 /nfs/dbraw/zinc/17/11/66/950171166.db2.gz LFLKNQPNYJYKHO-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1)NC(N)=O ZINC001574494567 950171178 /nfs/dbraw/zinc/17/11/78/950171178.db2.gz LFLKNQPNYJYKHO-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575899709 950172734 /nfs/dbraw/zinc/17/27/34/950172734.db2.gz YFYDWEJITWDSPQ-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575899709 950172745 /nfs/dbraw/zinc/17/27/45/950172745.db2.gz YFYDWEJITWDSPQ-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001573843393 950174405 /nfs/dbraw/zinc/17/44/05/950174405.db2.gz WTUPPAIQNMOYSH-NEPJUHHUSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001573843393 950174419 /nfs/dbraw/zinc/17/44/19/950174419.db2.gz WTUPPAIQNMOYSH-NEPJUHHUSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574494704 950177561 /nfs/dbraw/zinc/17/75/61/950177561.db2.gz MYAJALNYIHZWIE-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574494704 950177574 /nfs/dbraw/zinc/17/75/74/950177574.db2.gz MYAJALNYIHZWIE-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574494779 950182134 /nfs/dbraw/zinc/18/21/34/950182134.db2.gz ODFDFCIDMIYKSZ-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574494779 950182151 /nfs/dbraw/zinc/18/21/51/950182151.db2.gz ODFDFCIDMIYKSZ-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575584823 950182323 /nfs/dbraw/zinc/18/23/23/950182323.db2.gz TVWTUDHXEHCRLV-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575584823 950182337 /nfs/dbraw/zinc/18/23/37/950182337.db2.gz TVWTUDHXEHCRLV-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191077 950183222 /nfs/dbraw/zinc/18/32/22/950183222.db2.gz DLWCJIAHSZDRLM-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191077 950183234 /nfs/dbraw/zinc/18/32/34/950183234.db2.gz DLWCJIAHSZDRLM-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575584821 950183166 /nfs/dbraw/zinc/18/31/66/950183166.db2.gz TVWTUDHXEHCRLV-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575584821 950183174 /nfs/dbraw/zinc/18/31/74/950183174.db2.gz TVWTUDHXEHCRLV-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574494799 950183353 /nfs/dbraw/zinc/18/33/53/950183353.db2.gz OOVCDBHFXMFBJX-NEPJUHHUSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574494799 950183366 /nfs/dbraw/zinc/18/33/66/950183366.db2.gz OOVCDBHFXMFBJX-NEPJUHHUSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191074 950184836 /nfs/dbraw/zinc/18/48/36/950184836.db2.gz DLFOGJUJCLVWJP-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191074 950184849 /nfs/dbraw/zinc/18/48/49/950184849.db2.gz DLFOGJUJCLVWJP-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574494778 950185058 /nfs/dbraw/zinc/18/50/58/950185058.db2.gz ODFDFCIDMIYKSZ-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574494778 950185071 /nfs/dbraw/zinc/18/50/71/950185071.db2.gz ODFDFCIDMIYKSZ-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191161 950188303 /nfs/dbraw/zinc/18/83/03/950188303.db2.gz DSQQFNMJAZNJHM-WDEREUQCSA-N -1 1 385.457 0.745 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCCOC1 ZINC001575585249 950189995 /nfs/dbraw/zinc/18/99/95/950189995.db2.gz XYQUAMGNHLHLHJ-ZIVKBKJYSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCCOC1 ZINC001575585249 950190006 /nfs/dbraw/zinc/19/00/06/950190006.db2.gz XYQUAMGNHLHLHJ-ZIVKBKJYSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H](c2ccco2)C1 ZINC001576191380 950191220 /nfs/dbraw/zinc/19/12/20/950191220.db2.gz HJYPIWPLVVARKV-JQWIXIFHSA-N -1 1 385.384 0.722 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191368 950191330 /nfs/dbraw/zinc/19/13/30/950191330.db2.gz FOYLLRCOJSEWOB-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191368 950191342 /nfs/dbraw/zinc/19/13/42/950191342.db2.gz FOYLLRCOJSEWOB-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191352 950194432 /nfs/dbraw/zinc/19/44/32/950194432.db2.gz FOFQDDJOYVLIAV-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191352 950194447 /nfs/dbraw/zinc/19/44/47/950194447.db2.gz FOFQDDJOYVLIAV-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575900313 950195384 /nfs/dbraw/zinc/19/53/84/950195384.db2.gz DNUUIADYANEYLR-VHSXEESVSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574495197 950195816 /nfs/dbraw/zinc/19/58/16/950195816.db2.gz RLNSZYYBAGDEBL-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574495197 950195836 /nfs/dbraw/zinc/19/58/36/950195836.db2.gz RLNSZYYBAGDEBL-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574495204 950198861 /nfs/dbraw/zinc/19/88/61/950198861.db2.gz RLNSZYYBAGDEBL-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574495204 950198877 /nfs/dbraw/zinc/19/88/77/950198877.db2.gz RLNSZYYBAGDEBL-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@]1(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575585535 950198983 /nfs/dbraw/zinc/19/89/83/950198983.db2.gz AHOWBORATQOKHM-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575585535 950198997 /nfs/dbraw/zinc/19/89/97/950198997.db2.gz AHOWBORATQOKHM-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574155607 950204078 /nfs/dbraw/zinc/20/40/78/950204078.db2.gz ORYLETJLKUXYQP-SNVBAGLBSA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574155607 950204093 /nfs/dbraw/zinc/20/40/93/950204093.db2.gz ORYLETJLKUXYQP-SNVBAGLBSA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574155744 950206068 /nfs/dbraw/zinc/20/60/68/950206068.db2.gz REEDBBVCHSZODB-NEPJUHHUSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574155744 950206087 /nfs/dbraw/zinc/20/60/87/950206087.db2.gz REEDBBVCHSZODB-NEPJUHHUSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001574155684 950207445 /nfs/dbraw/zinc/20/74/45/950207445.db2.gz QBTVGPYTXCWTFS-UONOGXRCSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192033 950222543 /nfs/dbraw/zinc/22/25/43/950222543.db2.gz JMUJHNQFTWZVID-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192033 950222564 /nfs/dbraw/zinc/22/25/64/950222564.db2.gz JMUJHNQFTWZVID-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574497326 950224844 /nfs/dbraw/zinc/22/48/44/950224844.db2.gz ZFWXEOBSJOTNPA-JSGCOSHPSA-N -1 1 382.428 0.161 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574497327 950225051 /nfs/dbraw/zinc/22/50/51/950225051.db2.gz ZFWXEOBSJOTNPA-OCCSQVGLSA-N -1 1 382.428 0.161 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574497328 950226289 /nfs/dbraw/zinc/22/62/89/950226289.db2.gz ZFWXEOBSJOTNPA-TZMCWYRMSA-N -1 1 382.428 0.161 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574497355 950230519 /nfs/dbraw/zinc/23/05/19/950230519.db2.gz ZQUFQRDTVNQJTC-RYUDHWBXSA-N -1 1 376.465 0.430 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192305 950236530 /nfs/dbraw/zinc/23/65/30/950236530.db2.gz LUVDTDWHSDXWIU-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192305 950236552 /nfs/dbraw/zinc/23/65/52/950236552.db2.gz LUVDTDWHSDXWIU-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)[C@H]1CCCO1 ZINC001574497723 950237754 /nfs/dbraw/zinc/23/77/54/950237754.db2.gz BSYFYXRAUZRWGJ-CHWSQXEVSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001574497790 950241288 /nfs/dbraw/zinc/24/12/88/950241288.db2.gz DCXKOCOCYGXZST-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001574497790 950241303 /nfs/dbraw/zinc/24/13/03/950241303.db2.gz DCXKOCOCYGXZST-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574497766 950241724 /nfs/dbraw/zinc/24/17/24/950241724.db2.gz CNYMEGVBTWNEHU-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574497766 950241743 /nfs/dbraw/zinc/24/17/43/950241743.db2.gz CNYMEGVBTWNEHU-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192354 950242701 /nfs/dbraw/zinc/24/27/01/950242701.db2.gz LZVZGJBUSDWWNQ-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192354 950242718 /nfs/dbraw/zinc/24/27/18/950242718.db2.gz LZVZGJBUSDWWNQ-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192356 950243698 /nfs/dbraw/zinc/24/36/98/950243698.db2.gz LZVZGJBUSDWWNQ-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192356 950243718 /nfs/dbraw/zinc/24/37/18/950243718.db2.gz LZVZGJBUSDWWNQ-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192509 950250745 /nfs/dbraw/zinc/25/07/45/950250745.db2.gz OYCBEIVLTXWHCB-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192509 950250764 /nfs/dbraw/zinc/25/07/64/950250764.db2.gz OYCBEIVLTXWHCB-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM CC1(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCOCC1 ZINC001575588669 950253061 /nfs/dbraw/zinc/25/30/61/950253061.db2.gz QXECAQVHOQGMRE-UHFFFAOYSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCOCC1 ZINC001575588669 950253072 /nfs/dbraw/zinc/25/30/72/950253072.db2.gz QXECAQVHOQGMRE-UHFFFAOYSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575902278 950254834 /nfs/dbraw/zinc/25/48/34/950254834.db2.gz UGRBPLVFTICBMT-DTWKUNHWSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(Br)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574984206 950259332 /nfs/dbraw/zinc/25/93/32/950259332.db2.gz WPFQSBDSYHVCOZ-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@H](CC(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CC1 ZINC001574498136 950259336 /nfs/dbraw/zinc/25/93/36/950259336.db2.gz KIRZZUBAWPLGHM-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CC1 ZINC001574498136 950259358 /nfs/dbraw/zinc/25/93/58/950259358.db2.gz KIRZZUBAWPLGHM-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(Br)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574984206 950259352 /nfs/dbraw/zinc/25/93/52/950259352.db2.gz WPFQSBDSYHVCOZ-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@H](CNC(=O)c1cnc[nH]c1=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574984133 950260378 /nfs/dbraw/zinc/26/03/78/950260378.db2.gz VTJKQROEZRESHX-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@@]1(C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575589553 950263950 /nfs/dbraw/zinc/26/39/50/950263950.db2.gz WFWJXESZHCJCRA-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574158065 950269454 /nfs/dbraw/zinc/26/94/54/950269454.db2.gz NTRPTCQZHBQZJU-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574158065 950269471 /nfs/dbraw/zinc/26/94/71/950269471.db2.gz NTRPTCQZHBQZJU-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@]1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575592025 950270254 /nfs/dbraw/zinc/27/02/54/950270254.db2.gz AHAORJVZFCAKKH-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575592025 950270268 /nfs/dbraw/zinc/27/02/68/950270268.db2.gz AHAORJVZFCAKKH-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H](CC(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CC1 ZINC001574498447 950276617 /nfs/dbraw/zinc/27/66/17/950276617.db2.gz NMVMTSBXZOIPQN-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CC1 ZINC001574498447 950276635 /nfs/dbraw/zinc/27/66/35/950276635.db2.gz NMVMTSBXZOIPQN-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574498436 950277282 /nfs/dbraw/zinc/27/72/82/950277282.db2.gz NGNCIFLZWRDIKC-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574498436 950277296 /nfs/dbraw/zinc/27/72/96/950277296.db2.gz NGNCIFLZWRDIKC-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574742262 950280724 /nfs/dbraw/zinc/28/07/24/950280724.db2.gz MUTURXRTZWIZHY-QYNIQEEDSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574742262 950280742 /nfs/dbraw/zinc/28/07/42/950280742.db2.gz MUTURXRTZWIZHY-QYNIQEEDSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001574498708 950283725 /nfs/dbraw/zinc/28/37/25/950283725.db2.gz PTZFVWXQNDASRY-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001574498708 950283743 /nfs/dbraw/zinc/28/37/43/950283743.db2.gz PTZFVWXQNDASRY-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193205 950287742 /nfs/dbraw/zinc/28/77/42/950287742.db2.gz SLUCIAOXGFBLSL-IPNGBCKKSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193205 950287762 /nfs/dbraw/zinc/28/77/62/950287762.db2.gz SLUCIAOXGFBLSL-IPNGBCKKSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574498913 950289214 /nfs/dbraw/zinc/28/92/14/950289214.db2.gz REWQRVHFCDLLOL-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574498913 950289226 /nfs/dbraw/zinc/28/92/26/950289226.db2.gz REWQRVHFCDLLOL-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574498846 950290306 /nfs/dbraw/zinc/29/03/06/950290306.db2.gz QFMMGGKAQWSDDU-VXGBXAGGSA-N -1 1 376.465 0.430 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574498844 950290449 /nfs/dbraw/zinc/29/04/49/950290449.db2.gz QFMMGGKAQWSDDU-NWDGAFQWSA-N -1 1 376.465 0.430 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574159230 950295589 /nfs/dbraw/zinc/29/55/89/950295589.db2.gz UMDYWBVBCGXFFE-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574159230 950295605 /nfs/dbraw/zinc/29/56/05/950295605.db2.gz UMDYWBVBCGXFFE-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1cn[nH]c1 ZINC001574159385 950304144 /nfs/dbraw/zinc/30/41/44/950304144.db2.gz GTFMPXYPQKXULV-CYBMUJFWSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001574159385 950304165 /nfs/dbraw/zinc/30/41/65/950304165.db2.gz GTFMPXYPQKXULV-CYBMUJFWSA-N -1 1 384.448 0.955 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193607 950305263 /nfs/dbraw/zinc/30/52/63/950305263.db2.gz UTTJXKSFNZKXQJ-UWVGGRQHSA-N -1 1 386.395 0.151 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193635 950305520 /nfs/dbraw/zinc/30/55/20/950305520.db2.gz UYHZEKIKZPGENT-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193635 950305553 /nfs/dbraw/zinc/30/55/53/950305553.db2.gz UYHZEKIKZPGENT-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](CO)C1 ZINC001573852827 950310361 /nfs/dbraw/zinc/31/03/61/950310361.db2.gz JTLMXIPOGMMQCE-LLVKDONJSA-N -1 1 389.416 0.316 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](CO)C1 ZINC001573852827 950310379 /nfs/dbraw/zinc/31/03/79/950310379.db2.gz JTLMXIPOGMMQCE-LLVKDONJSA-N -1 1 389.416 0.316 20 0 GCADMM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC(=O)c1coc(-c3nnn[n-]3)c1)CO2 ZINC001573853208 950323778 /nfs/dbraw/zinc/32/37/78/950323778.db2.gz OGHWDLVKACYGIN-LLVKDONJSA-N -1 1 390.400 0.968 20 0 GCADMM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC(=O)c1coc(-c3nn[n-]n3)c1)CO2 ZINC001573853208 950323794 /nfs/dbraw/zinc/32/37/94/950323794.db2.gz OGHWDLVKACYGIN-LLVKDONJSA-N -1 1 390.400 0.968 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574743577 950331065 /nfs/dbraw/zinc/33/10/65/950331065.db2.gz UIBIYDNEBRMMGM-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574743577 950331082 /nfs/dbraw/zinc/33/10/82/950331082.db2.gz UIBIYDNEBRMMGM-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@]1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCc2ccccc21 ZINC001575594409 950334385 /nfs/dbraw/zinc/33/43/85/950334385.db2.gz SIUDXXKLJQJKQU-SFHVURJKSA-N -1 1 381.396 0.149 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576194326 950336140 /nfs/dbraw/zinc/33/61/40/950336140.db2.gz YXDMXSHNFBSJGC-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576194326 950336162 /nfs/dbraw/zinc/33/61/62/950336162.db2.gz YXDMXSHNFBSJGC-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573854010 950339146 /nfs/dbraw/zinc/33/91/46/950339146.db2.gz WOEKHYKEBPMZEL-OAHLLOKOSA-N -1 1 378.393 0.290 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573854010 950339170 /nfs/dbraw/zinc/33/91/70/950339170.db2.gz WOEKHYKEBPMZEL-OAHLLOKOSA-N -1 1 378.393 0.290 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576194455 950341127 /nfs/dbraw/zinc/34/11/27/950341127.db2.gz YXDMXSHNFBSJGC-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576194455 950341148 /nfs/dbraw/zinc/34/11/48/950341148.db2.gz YXDMXSHNFBSJGC-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573854282 950341702 /nfs/dbraw/zinc/34/17/02/950341702.db2.gz ZBMLFZMVJHGRIF-GFCCVEGCSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573854282 950341723 /nfs/dbraw/zinc/34/17/23/950341723.db2.gz ZBMLFZMVJHGRIF-GFCCVEGCSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C)c1N ZINC001574160877 950349512 /nfs/dbraw/zinc/34/95/12/950349512.db2.gz QGLMJTMOFKYNCU-JTQLQIEISA-N -1 1 385.436 0.229 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C)c1N ZINC001574160877 950349533 /nfs/dbraw/zinc/34/95/33/950349533.db2.gz QGLMJTMOFKYNCU-JTQLQIEISA-N -1 1 385.436 0.229 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194529 950349758 /nfs/dbraw/zinc/34/97/58/950349758.db2.gz ZUVSPOHSZKINIQ-VHSXEESVSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194529 950349780 /nfs/dbraw/zinc/34/97/80/950349780.db2.gz ZUVSPOHSZKINIQ-VHSXEESVSA-N -1 1 386.395 0.729 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)C1CC1 ZINC001574161275 950353338 /nfs/dbraw/zinc/35/33/38/950353338.db2.gz SFLUHGWWQPKAMB-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)C1CC1 ZINC001574161275 950353358 /nfs/dbraw/zinc/35/33/58/950353358.db2.gz SFLUHGWWQPKAMB-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574745143 950372152 /nfs/dbraw/zinc/37/21/52/950372152.db2.gz FOZRIFOGIYZIET-JTQLQIEISA-N -1 1 385.432 0.937 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574745394 950382034 /nfs/dbraw/zinc/38/20/34/950382034.db2.gz JBRNRJMWZCYCLW-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574745394 950382056 /nfs/dbraw/zinc/38/20/56/950382056.db2.gz JBRNRJMWZCYCLW-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574746247 950392629 /nfs/dbraw/zinc/39/26/29/950392629.db2.gz NAWNQOIQEODBOY-LLVKDONJSA-N -1 1 384.448 0.508 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574746716 950396929 /nfs/dbraw/zinc/39/69/29/950396929.db2.gz ONBRKTMMZABBPJ-SNVBAGLBSA-N -1 1 386.420 0.279 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574503443 950409334 /nfs/dbraw/zinc/40/93/34/950409334.db2.gz WHVYHTNGBBOFAV-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574503443 950409347 /nfs/dbraw/zinc/40/93/47/950409347.db2.gz WHVYHTNGBBOFAV-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001573857546 950409743 /nfs/dbraw/zinc/40/97/43/950409743.db2.gz VRNWYFSFTIRMIX-VXGBXAGGSA-N -1 1 388.432 0.926 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001573857546 950409759 /nfs/dbraw/zinc/40/97/59/950409759.db2.gz VRNWYFSFTIRMIX-VXGBXAGGSA-N -1 1 388.432 0.926 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574503441 950410992 /nfs/dbraw/zinc/41/09/92/950410992.db2.gz WHVYHTNGBBOFAV-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574503441 950411006 /nfs/dbraw/zinc/41/10/06/950411006.db2.gz WHVYHTNGBBOFAV-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574503497 950414626 /nfs/dbraw/zinc/41/46/26/950414626.db2.gz XKUIRFAADONERA-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574503499 950415216 /nfs/dbraw/zinc/41/52/16/950415216.db2.gz XKUIRFAADONERA-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574504038 950421468 /nfs/dbraw/zinc/42/14/68/950421468.db2.gz ZPKIXMXBGDRDMG-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM CC1(C(=O)NCc2nc(CNc3nccnc3-c3nnn[n-]3)cc(=O)[nH]2)CC1 ZINC001575599074 950424395 /nfs/dbraw/zinc/42/43/95/950424395.db2.gz BYDQFDMMLYEKPU-UHFFFAOYSA-N -1 1 382.388 0.181 20 0 GCADMM CC1(C(=O)NCc2nc(CNc3nccnc3-c3nn[n-]n3)cc(=O)[nH]2)CC1 ZINC001575599074 950424405 /nfs/dbraw/zinc/42/44/05/950424405.db2.gz BYDQFDMMLYEKPU-UHFFFAOYSA-N -1 1 382.388 0.181 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910719 950427713 /nfs/dbraw/zinc/42/77/13/950427713.db2.gz BGYZRAQZJXQRNY-BXKDBHETSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910719 950427730 /nfs/dbraw/zinc/42/77/30/950427730.db2.gz BGYZRAQZJXQRNY-BXKDBHETSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H](O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001573860697 950430350 /nfs/dbraw/zinc/43/03/50/950430350.db2.gz MQNHHPXFLBOPLP-SNVBAGLBSA-N -1 1 376.421 0.832 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H](O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001573860697 950430358 /nfs/dbraw/zinc/43/03/58/950430358.db2.gz MQNHHPXFLBOPLP-SNVBAGLBSA-N -1 1 376.421 0.832 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)CC(N)=O ZINC001574163582 950431879 /nfs/dbraw/zinc/43/18/79/950431879.db2.gz WJYIMPTUBQHBRG-WDEREUQCSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)CC(N)=O ZINC001574163582 950431899 /nfs/dbraw/zinc/43/18/99/950431899.db2.gz WJYIMPTUBQHBRG-WDEREUQCSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574163741 950432115 /nfs/dbraw/zinc/43/21/15/950432115.db2.gz XEFQAOOHYYRSLQ-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574163741 950432134 /nfs/dbraw/zinc/43/21/34/950432134.db2.gz XEFQAOOHYYRSLQ-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)n1cncn1 ZINC001574163605 950433613 /nfs/dbraw/zinc/43/36/13/950433613.db2.gz WSYOCLKKMKHESJ-RYUDHWBXSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)n1cncn1 ZINC001574163605 950433627 /nfs/dbraw/zinc/43/36/27/950433627.db2.gz WSYOCLKKMKHESJ-RYUDHWBXSA-N -1 1 385.436 0.452 20 0 GCADMM CC1(C(=O)NCc2nc(CNc3ccc(-c4nn[n-]n4)nn3)cc(=O)[nH]2)CC1 ZINC001575600162 950438165 /nfs/dbraw/zinc/43/81/65/950438165.db2.gz TWMMJDQBTRDMQT-UHFFFAOYSA-N -1 1 382.388 0.181 20 0 GCADMM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001573861322 950446079 /nfs/dbraw/zinc/44/60/79/950446079.db2.gz YLVYTLCZKBBKBP-UHFFFAOYSA-N -1 1 392.416 0.952 20 0 GCADMM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573861322 950446093 /nfs/dbraw/zinc/44/60/93/950446093.db2.gz YLVYTLCZKBBKBP-UHFFFAOYSA-N -1 1 392.416 0.952 20 0 GCADMM CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001573861329 950446409 /nfs/dbraw/zinc/44/64/09/950446409.db2.gz YOXMEWSDDSGHLN-XXFAHNHDSA-N -1 1 392.420 0.748 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575604979 950447648 /nfs/dbraw/zinc/44/76/48/950447648.db2.gz JFLKXWIQZLGCDK-LSIMKLPESA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575604979 950447653 /nfs/dbraw/zinc/44/76/53/950447653.db2.gz JFLKXWIQZLGCDK-LSIMKLPESA-N -1 1 384.444 0.699 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)CCCCCC1 ZINC001575605015 950453020 /nfs/dbraw/zinc/45/30/20/950453020.db2.gz KKEDXHXZVYSJGE-KGLIPLIRSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)CCCCCC1 ZINC001575605015 950453032 /nfs/dbraw/zinc/45/30/32/950453032.db2.gz KKEDXHXZVYSJGE-KGLIPLIRSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)CCCCCC1 ZINC001575605016 950454583 /nfs/dbraw/zinc/45/45/83/950454583.db2.gz KKEDXHXZVYSJGE-ZIAGYGMSSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)CCCCCC1 ZINC001575605016 950454598 /nfs/dbraw/zinc/45/45/98/950454598.db2.gz KKEDXHXZVYSJGE-ZIAGYGMSSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001574507206 950455886 /nfs/dbraw/zinc/45/58/86/950455886.db2.gz FYQFKTXCEOOATF-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574507206 950455905 /nfs/dbraw/zinc/45/59/05/950455905.db2.gz FYQFKTXCEOOATF-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575911907 950456831 /nfs/dbraw/zinc/45/68/31/950456831.db2.gz FSLIAIBPLQADHK-GXFFZTMASA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575911907 950456839 /nfs/dbraw/zinc/45/68/39/950456839.db2.gz FSLIAIBPLQADHK-GXFFZTMASA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751949 950468471 /nfs/dbraw/zinc/46/84/71/950468471.db2.gz RWYLKSWMTCPMTI-VIFPVBQESA-N -1 1 375.824 0.643 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575605587 950473005 /nfs/dbraw/zinc/47/30/05/950473005.db2.gz PIMASVSRNLFYPM-ZIVKBKJYSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575605587 950473016 /nfs/dbraw/zinc/47/30/16/950473016.db2.gz PIMASVSRNLFYPM-ZIVKBKJYSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575605855 950485337 /nfs/dbraw/zinc/48/53/37/950485337.db2.gz XKWSTZXPLIAIHH-GNTLTTKYSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575605855 950485349 /nfs/dbraw/zinc/48/53/49/950485349.db2.gz XKWSTZXPLIAIHH-GNTLTTKYSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)[C@H]1CCCO1 ZINC001574508707 950486976 /nfs/dbraw/zinc/48/69/76/950486976.db2.gz MQMYMTIPOJKLQP-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001575605915 950492358 /nfs/dbraw/zinc/49/23/58/950492358.db2.gz VYNJEMWKLXQDTF-JOCQHMNTSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574994930 950497656 /nfs/dbraw/zinc/49/76/56/950497656.db2.gz BIJCVHUBGDHICW-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574994930 950497666 /nfs/dbraw/zinc/49/76/66/950497666.db2.gz BIJCVHUBGDHICW-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc2cccnn21)Nc1nccnc1-c1nnn[n-]1 ZINC001574752990 950507327 /nfs/dbraw/zinc/50/73/27/950507327.db2.gz IBIGBAWNZWYMJY-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc2cccnn21)Nc1nccnc1-c1nn[n-]n1 ZINC001574752990 950507347 /nfs/dbraw/zinc/50/73/47/950507347.db2.gz IBIGBAWNZWYMJY-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)n1ccnc1 ZINC001574509364 950512072 /nfs/dbraw/zinc/51/20/72/950512072.db2.gz RQGKGFDOBGANLT-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[C@H](C)NC(N)=O ZINC001574509504 950516454 /nfs/dbraw/zinc/51/64/54/950516454.db2.gz VYYONNQOOZPUEP-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573866936 950518400 /nfs/dbraw/zinc/51/84/00/950518400.db2.gz NZMVAOUZHPLXLC-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573866936 950518418 /nfs/dbraw/zinc/51/84/18/950518418.db2.gz NZMVAOUZHPLXLC-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574995952 950520849 /nfs/dbraw/zinc/52/08/49/950520849.db2.gz IQYAXEAMQSLEMR-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574995952 950520863 /nfs/dbraw/zinc/52/08/63/950520863.db2.gz IQYAXEAMQSLEMR-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573867055 950521063 /nfs/dbraw/zinc/52/10/63/950521063.db2.gz OXCYWANXHRGJIP-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573867055 950521078 /nfs/dbraw/zinc/52/10/78/950521078.db2.gz OXCYWANXHRGJIP-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CCNC(=O)C[C@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574509760 950531195 /nfs/dbraw/zinc/53/11/95/950531195.db2.gz XABSKNIHYCCBMO-RYUDHWBXSA-N -1 1 384.448 0.313 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573867383 950531833 /nfs/dbraw/zinc/53/18/33/950531833.db2.gz YCIYZFNFVQXCGC-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573867383 950531852 /nfs/dbraw/zinc/53/18/52/950531852.db2.gz YCIYZFNFVQXCGC-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574509774 950532731 /nfs/dbraw/zinc/53/27/31/950532731.db2.gz XWSLVHYFHVCMPH-OPRDCNLKSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574997003 950536986 /nfs/dbraw/zinc/53/69/86/950536986.db2.gz PPSDALVAQOEMCF-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574997003 950537000 /nfs/dbraw/zinc/53/70/00/950537000.db2.gz PPSDALVAQOEMCF-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)CC(C)(C)C ZINC001574510901 950549306 /nfs/dbraw/zinc/54/93/06/950549306.db2.gz DIBPLYIMJQYKQC-UPJWGTAASA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)CC(C)(C)C ZINC001574510903 950549969 /nfs/dbraw/zinc/54/99/69/950549969.db2.gz DIBPLYIMJQYKQC-YNEHKIRRSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001574171418 950554315 /nfs/dbraw/zinc/55/43/15/950554315.db2.gz PRMVUWJUNGLINO-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001574171418 950554334 /nfs/dbraw/zinc/55/43/34/950554334.db2.gz PRMVUWJUNGLINO-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574997917 950555838 /nfs/dbraw/zinc/55/58/38/950555838.db2.gz ZDTRWCYZNGLTDC-JTQLQIEISA-N -1 1 384.448 0.577 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574998886 950565867 /nfs/dbraw/zinc/56/58/67/950565867.db2.gz CADZLZHMODIFKN-SSDOTTSWSA-N -1 1 376.331 0.037 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574999210 950576513 /nfs/dbraw/zinc/57/65/13/950576513.db2.gz GPKRKHHOCJKWAV-ZETCQYMHSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574999210 950576539 /nfs/dbraw/zinc/57/65/39/950576539.db2.gz GPKRKHHOCJKWAV-ZETCQYMHSA-N -1 1 376.331 0.615 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575615808 950577455 /nfs/dbraw/zinc/57/74/55/950577455.db2.gz IEWFIZBPKQVELI-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999425 950580461 /nfs/dbraw/zinc/58/04/61/950580461.db2.gz JOCVUIHJLHJXAZ-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574999425 950580477 /nfs/dbraw/zinc/58/04/77/950580477.db2.gz JOCVUIHJLHJXAZ-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccn1 ZINC001574511957 950582901 /nfs/dbraw/zinc/58/29/01/950582901.db2.gz XSGZRTJUHNYQFV-JHJVBQTASA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575918130 950587064 /nfs/dbraw/zinc/58/70/64/950587064.db2.gz AMMDKVZXXXZFRW-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575918130 950587084 /nfs/dbraw/zinc/58/70/84/950587084.db2.gz AMMDKVZXXXZFRW-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)C1(C)C ZINC001575616251 950587223 /nfs/dbraw/zinc/58/72/23/950587223.db2.gz OONYUBSBCLVWAT-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)C1(C)C ZINC001575616251 950587239 /nfs/dbraw/zinc/58/72/39/950587239.db2.gz OONYUBSBCLVWAT-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001574999777 950589593 /nfs/dbraw/zinc/58/95/93/950589593.db2.gz NMKAFILABCMXCG-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001574999777 950589612 /nfs/dbraw/zinc/58/96/12/950589612.db2.gz NMKAFILABCMXCG-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575918417 950592776 /nfs/dbraw/zinc/59/27/76/950592776.db2.gz BUKTXTOFVYJEEV-DTWKUNHWSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575918417 950592795 /nfs/dbraw/zinc/59/27/95/950592795.db2.gz BUKTXTOFVYJEEV-DTWKUNHWSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575000036 950593118 /nfs/dbraw/zinc/59/31/18/950593118.db2.gz ABVOIRUYJSBIGM-SNVBAGLBSA-N -1 1 381.400 0.029 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575000052 950595113 /nfs/dbraw/zinc/59/51/13/950595113.db2.gz ORLHQJAIVVCEJZ-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575000052 950595131 /nfs/dbraw/zinc/59/51/31/950595131.db2.gz ORLHQJAIVVCEJZ-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573870829 950601513 /nfs/dbraw/zinc/60/15/13/950601513.db2.gz XUEKRFHIGZEGKZ-CYBMUJFWSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573870829 950601530 /nfs/dbraw/zinc/60/15/30/950601530.db2.gz XUEKRFHIGZEGKZ-CYBMUJFWSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1(C)C ZINC001575617955 950604159 /nfs/dbraw/zinc/60/41/59/950604159.db2.gz FFGYAFMWHSBAIN-GOSISDBHSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575617955 950604177 /nfs/dbraw/zinc/60/41/77/950604177.db2.gz FFGYAFMWHSBAIN-GOSISDBHSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C[C@H](C)NC(N)=O ZINC001574513708 950615285 /nfs/dbraw/zinc/61/52/85/950615285.db2.gz WFQCKKSCYHCXPK-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[C@H](C)NC(N)=O ZINC001574513708 950615302 /nfs/dbraw/zinc/61/53/02/950615302.db2.gz WFQCKKSCYHCXPK-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575919636 950620246 /nfs/dbraw/zinc/62/02/46/950620246.db2.gz JCQYNSWEKDNFEO-BXUZGUMPSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759025 950625518 /nfs/dbraw/zinc/62/55/18/950625518.db2.gz JHAGHYGBUSMZMV-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759025 950625526 /nfs/dbraw/zinc/62/55/26/950625526.db2.gz JHAGHYGBUSMZMV-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920630 950630789 /nfs/dbraw/zinc/63/07/89/950630789.db2.gz MRZYPLSEIDKWPA-KOLCDFICSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575921426 950636708 /nfs/dbraw/zinc/63/67/08/950636708.db2.gz NVWLMXUDLCQROJ-DMNNQDRISA-N -1 1 380.456 0.772 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575921441 950637809 /nfs/dbraw/zinc/63/78/09/950637809.db2.gz NVWLMXUDLCQROJ-ZGLNSTPHSA-N -1 1 380.456 0.772 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574759414 950639850 /nfs/dbraw/zinc/63/98/50/950639850.db2.gz CSSBADZHVXYULU-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574759414 950639877 /nfs/dbraw/zinc/63/98/77/950639877.db2.gz CSSBADZHVXYULU-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575921558 950640059 /nfs/dbraw/zinc/64/00/59/950640059.db2.gz NZUWTIVMACUDMO-RISCZKNCSA-N -1 1 392.423 0.729 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575921570 950640641 /nfs/dbraw/zinc/64/06/41/950640641.db2.gz NZWMALBGFFIBOI-CMPLNLGQSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575921570 950640654 /nfs/dbraw/zinc/64/06/54/950640654.db2.gz NZWMALBGFFIBOI-CMPLNLGQSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574759611 950641972 /nfs/dbraw/zinc/64/19/72/950641972.db2.gz PPZQRBPBXHPGCP-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574759611 950641986 /nfs/dbraw/zinc/64/19/86/950641986.db2.gz PPZQRBPBXHPGCP-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001984 950650107 /nfs/dbraw/zinc/65/01/07/950650107.db2.gz XZOTWQURTLTQRC-SSDOTTSWSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001984 950650119 /nfs/dbraw/zinc/65/01/19/950650119.db2.gz XZOTWQURTLTQRC-SSDOTTSWSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576213838 950651507 /nfs/dbraw/zinc/65/15/07/950651507.db2.gz JGMQLQIIEQHCHR-JQWIXIFHSA-N -1 1 383.416 0.897 20 0 GCADMM C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576213838 950651517 /nfs/dbraw/zinc/65/15/17/950651517.db2.gz JGMQLQIIEQHCHR-JQWIXIFHSA-N -1 1 383.416 0.897 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccncc1 ZINC001575923272 950654684 /nfs/dbraw/zinc/65/46/84/950654684.db2.gz QDBRWZWDARHWJA-GXTWGEPZSA-N -1 1 379.428 0.508 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](O)CNc1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575623871 950655594 /nfs/dbraw/zinc/65/55/94/950655594.db2.gz LFEHLUMPSABKSY-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](O)CNc1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575623871 950655602 /nfs/dbraw/zinc/65/56/02/950655602.db2.gz LFEHLUMPSABKSY-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM CCN1CCN(CC(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)CC1 ZINC001589744512 950656870 /nfs/dbraw/zinc/65/68/70/950656870.db2.gz UKEYLUIYKYFQHS-WMZOPIPTSA-N -1 1 388.468 0.167 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(F)(F)F ZINC001574518910 950664064 /nfs/dbraw/zinc/66/40/64/950664064.db2.gz AFGUPHSSTOTNKH-WYOJIJJFSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(F)(F)F ZINC001574518910 950664079 /nfs/dbraw/zinc/66/40/79/950664079.db2.gz AFGUPHSSTOTNKH-WYOJIJJFSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576214481 950671729 /nfs/dbraw/zinc/67/17/29/950671729.db2.gz ARQBOEHJIFNRLB-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576214481 950671748 /nfs/dbraw/zinc/67/17/48/950671748.db2.gz ARQBOEHJIFNRLB-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925040 950680594 /nfs/dbraw/zinc/68/05/94/950680594.db2.gz GHAFOGKFYYZBSD-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925040 950680606 /nfs/dbraw/zinc/68/06/06/950680606.db2.gz GHAFOGKFYYZBSD-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575005392 950681091 /nfs/dbraw/zinc/68/10/91/950681091.db2.gz CUUYSTGVKXKYLO-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575005392 950681096 /nfs/dbraw/zinc/68/10/96/950681096.db2.gz CUUYSTGVKXKYLO-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001574519440 950682568 /nfs/dbraw/zinc/68/25/68/950682568.db2.gz VVUGKGGTVODZET-XBWDGYHZSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccc1 ZINC001574519522 950682976 /nfs/dbraw/zinc/68/29/76/950682976.db2.gz FDWHHQZKPJQBLP-FJZAXULXSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001574519522 950682987 /nfs/dbraw/zinc/68/29/87/950682987.db2.gz FDWHHQZKPJQBLP-FJZAXULXSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760912 950690112 /nfs/dbraw/zinc/69/01/12/950690112.db2.gz OJSNCMBFBQXUKM-JTQLQIEISA-N -1 1 380.416 0.319 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576215238 950692790 /nfs/dbraw/zinc/69/27/90/950692790.db2.gz DVNOLTIMMOWQBP-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576215238 950692804 /nfs/dbraw/zinc/69/28/04/950692804.db2.gz DVNOLTIMMOWQBP-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574761148 950693364 /nfs/dbraw/zinc/69/33/64/950693364.db2.gz RDCDEYVRPUXONT-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574761148 950693373 /nfs/dbraw/zinc/69/33/73/950693373.db2.gz RDCDEYVRPUXONT-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCO1 ZINC001574519759 950693678 /nfs/dbraw/zinc/69/36/78/950693678.db2.gz YNKNDPJVQJDSKL-XDQVBPFNSA-N -1 1 386.460 0.591 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574179084 950694973 /nfs/dbraw/zinc/69/49/73/950694973.db2.gz APIYFRIVZKRFTG-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574179084 950694986 /nfs/dbraw/zinc/69/49/86/950694986.db2.gz APIYFRIVZKRFTG-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574179119 950695256 /nfs/dbraw/zinc/69/52/56/950695256.db2.gz BJZIKYQJGIEBMQ-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574179119 950695270 /nfs/dbraw/zinc/69/52/70/950695270.db2.gz BJZIKYQJGIEBMQ-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575005677 950696630 /nfs/dbraw/zinc/69/66/30/950696630.db2.gz KJTVYXVAHYOXIA-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575005677 950696647 /nfs/dbraw/zinc/69/66/47/950696647.db2.gz KJTVYXVAHYOXIA-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575005709 950697717 /nfs/dbraw/zinc/69/77/17/950697717.db2.gz LKIQJFPMYJDFNC-LBPRGKRZSA-N -1 1 381.444 0.694 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001573878092 950699937 /nfs/dbraw/zinc/69/99/37/950699937.db2.gz KBTFFIMEQALUIV-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001573878092 950699946 /nfs/dbraw/zinc/69/99/46/950699946.db2.gz KBTFFIMEQALUIV-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926137 950701043 /nfs/dbraw/zinc/70/10/43/950701043.db2.gz IXNWUIHXOLAFDH-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926137 950701057 /nfs/dbraw/zinc/70/10/57/950701057.db2.gz IXNWUIHXOLAFDH-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573878173 950702222 /nfs/dbraw/zinc/70/22/22/950702222.db2.gz KNUPLFSIVGIDRK-FMTVUPSXSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](O)CNc1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575626033 950704465 /nfs/dbraw/zinc/70/44/65/950704465.db2.gz WHQFFHRFLJOMSC-BJCXPLBRSA-N -1 1 386.460 0.184 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574179580 950707328 /nfs/dbraw/zinc/70/73/28/950707328.db2.gz GFOVAPCFTZNQRM-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574179580 950707339 /nfs/dbraw/zinc/70/73/39/950707339.db2.gz GFOVAPCFTZNQRM-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576215746 950707764 /nfs/dbraw/zinc/70/77/64/950707764.db2.gz GFQSUUDIBVVEFW-NXEZZACHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnnn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574763507 950718718 /nfs/dbraw/zinc/71/87/18/950718718.db2.gz CSPJSWCSFFMJIO-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnnn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574763507 950718733 /nfs/dbraw/zinc/71/87/33/950718733.db2.gz CSPJSWCSFFMJIO-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575006512 950719429 /nfs/dbraw/zinc/71/94/29/950719429.db2.gz VFLZXGSGIQDHTR-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001576215914 950720406 /nfs/dbraw/zinc/72/04/06/950720406.db2.gz HDGIQJQQPSTGAP-TVQRCGJNSA-N -1 1 384.448 0.652 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001573879452 950723206 /nfs/dbraw/zinc/72/32/06/950723206.db2.gz BVSNFVDSILQCGG-MGCOHNPYSA-N -1 1 382.432 0.472 20 0 GCADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)no1 ZINC001573879516 950723344 /nfs/dbraw/zinc/72/33/44/950723344.db2.gz DDTDGSIQLHABJZ-UHFFFAOYSA-N -1 1 383.416 0.739 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926923 950725558 /nfs/dbraw/zinc/72/55/58/950725558.db2.gz ZCQKATMNSIBKOK-KOLCDFICSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575926969 950725821 /nfs/dbraw/zinc/72/58/21/950725821.db2.gz NBDBKUCCDDBLNN-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575926969 950725834 /nfs/dbraw/zinc/72/58/34/950725834.db2.gz NBDBKUCCDDBLNN-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CNC(=O)c1cc2c[nH]ccc-2n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575006840 950726853 /nfs/dbraw/zinc/72/68/53/950726853.db2.gz WZAIODBPZVVVCN-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H](CNC(=O)c1cc2c[nH]ccc-2n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575006840 950726868 /nfs/dbraw/zinc/72/68/68/950726868.db2.gz WZAIODBPZVVVCN-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnnn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574763659 950728217 /nfs/dbraw/zinc/72/82/17/950728217.db2.gz HKPTZLCADJIHPE-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)cn1 ZINC001575927069 950730636 /nfs/dbraw/zinc/73/06/36/950730636.db2.gz ZXTIGUIWUBMLLB-YPMHNXCESA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)c2C1 ZINC001576216433 950737267 /nfs/dbraw/zinc/73/72/67/950737267.db2.gz JGTMFHPAJZEMJP-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)c2C1 ZINC001576216433 950737273 /nfs/dbraw/zinc/73/72/73/950737273.db2.gz JGTMFHPAJZEMJP-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574181063 950738483 /nfs/dbraw/zinc/73/84/83/950738483.db2.gz KAXYUBGHTWCVFE-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574181063 950738498 /nfs/dbraw/zinc/73/84/98/950738498.db2.gz KAXYUBGHTWCVFE-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574181020 950738748 /nfs/dbraw/zinc/73/87/48/950738748.db2.gz IOHGDVUTJLFKKM-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574181020 950738767 /nfs/dbraw/zinc/73/87/67/950738767.db2.gz IOHGDVUTJLFKKM-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574181064 950740364 /nfs/dbraw/zinc/74/03/64/950740364.db2.gz KAXYUBGHTWCVFE-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574181064 950740378 /nfs/dbraw/zinc/74/03/78/950740378.db2.gz KAXYUBGHTWCVFE-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216626 950741165 /nfs/dbraw/zinc/74/11/65/950741165.db2.gz FAIJBVWWWVYEFI-DTWKUNHWSA-N -1 1 382.350 0.680 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccco1 ZINC001574520628 950741588 /nfs/dbraw/zinc/74/15/88/950741588.db2.gz VRDFOKBVDXSKSQ-FJJYHAOUSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccco1 ZINC001574520628 950741601 /nfs/dbraw/zinc/74/16/01/950741601.db2.gz VRDFOKBVDXSKSQ-FJJYHAOUSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccco1 ZINC001574520651 950741730 /nfs/dbraw/zinc/74/17/30/950741730.db2.gz WDEYXJUJBKHBJB-RHPZDQPFSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccco1 ZINC001574520651 950741743 /nfs/dbraw/zinc/74/17/43/950741743.db2.gz WDEYXJUJBKHBJB-RHPZDQPFSA-N -1 1 380.412 0.994 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)[nH]n1 ZINC001573880246 950742375 /nfs/dbraw/zinc/74/23/75/950742375.db2.gz VUDNZWWBBTUKBC-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)[nH]n1 ZINC001573880246 950742390 /nfs/dbraw/zinc/74/23/90/950742390.db2.gz VUDNZWWBBTUKBC-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576216922 950744023 /nfs/dbraw/zinc/74/40/23/950744023.db2.gz KAFJSRKXNHOJGW-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576216922 950744043 /nfs/dbraw/zinc/74/40/43/950744043.db2.gz KAFJSRKXNHOJGW-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)c2C1 ZINC001576216945 950745404 /nfs/dbraw/zinc/74/54/04/950745404.db2.gz KKPZEUWEGIYMBX-JTQLQIEISA-N -1 1 382.432 0.371 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574181753 950746938 /nfs/dbraw/zinc/74/69/38/950746938.db2.gz PIRMOJAHXLUTOW-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574181753 950746951 /nfs/dbraw/zinc/74/69/51/950746951.db2.gz PIRMOJAHXLUTOW-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574181685 950748416 /nfs/dbraw/zinc/74/84/16/950748416.db2.gz OCCNZHOPKBJXAP-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574181685 950748423 /nfs/dbraw/zinc/74/84/23/950748423.db2.gz OCCNZHOPKBJXAP-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574181754 950749656 /nfs/dbraw/zinc/74/96/56/950749656.db2.gz PIRMOJAHXLUTOW-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574181754 950749676 /nfs/dbraw/zinc/74/96/76/950749676.db2.gz PIRMOJAHXLUTOW-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574182029 950751688 /nfs/dbraw/zinc/75/16/88/950751688.db2.gz SETLKPTXTTZESK-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574182029 950751709 /nfs/dbraw/zinc/75/17/09/950751709.db2.gz SETLKPTXTTZESK-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574764721 950758026 /nfs/dbraw/zinc/75/80/26/950758026.db2.gz XEURQJZBAMAYLF-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574764721 950758045 /nfs/dbraw/zinc/75/80/45/950758045.db2.gz XEURQJZBAMAYLF-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574182672 950760741 /nfs/dbraw/zinc/76/07/41/950760741.db2.gz YBUMYKIBAAXOHK-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574182672 950760761 /nfs/dbraw/zinc/76/07/61/950760761.db2.gz YBUMYKIBAAXOHK-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnnn1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574764822 950764054 /nfs/dbraw/zinc/76/40/54/950764054.db2.gz ZBKSWSPRCRKVGI-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnnn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574764822 950764064 /nfs/dbraw/zinc/76/40/64/950764064.db2.gz ZBKSWSPRCRKVGI-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2nccnc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764846 950766479 /nfs/dbraw/zinc/76/64/79/950766479.db2.gz ZVSAFFWPMBDWSM-JTQLQIEISA-N -1 1 391.399 0.568 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2nccnc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764846 950766495 /nfs/dbraw/zinc/76/64/95/950766495.db2.gz ZVSAFFWPMBDWSM-JTQLQIEISA-N -1 1 391.399 0.568 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574182785 950768029 /nfs/dbraw/zinc/76/80/29/950768029.db2.gz YSDFFSXMWLDCCS-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574182785 950768041 /nfs/dbraw/zinc/76/80/41/950768041.db2.gz YSDFFSXMWLDCCS-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765054 950772749 /nfs/dbraw/zinc/77/27/49/950772749.db2.gz CQTJXLZLOUKCKD-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765054 950772760 /nfs/dbraw/zinc/77/27/60/950772760.db2.gz CQTJXLZLOUKCKD-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575928142 950776998 /nfs/dbraw/zinc/77/69/98/950776998.db2.gz ZCZXCYTXXJQEPV-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575928142 950777009 /nfs/dbraw/zinc/77/70/09/950777009.db2.gz ZCZXCYTXXJQEPV-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCCNc3cnc(-c4nnn[n-]4)cn3)cn2C1 ZINC001576217942 950778754 /nfs/dbraw/zinc/77/87/54/950778754.db2.gz PLEBHGQZTQQTHC-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCCNc3cnc(-c4nn[n-]n4)cn3)cn2C1 ZINC001576217942 950778769 /nfs/dbraw/zinc/77/87/69/950778769.db2.gz PLEBHGQZTQQTHC-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575929483 950780879 /nfs/dbraw/zinc/78/08/79/950780879.db2.gz CDALXUKTIAPBEK-ONGXEEELSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575929483 950780894 /nfs/dbraw/zinc/78/08/94/950780894.db2.gz CDALXUKTIAPBEK-ONGXEEELSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576218281 950782592 /nfs/dbraw/zinc/78/25/92/950782592.db2.gz PWEHBNUVNQFESA-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576218281 950782613 /nfs/dbraw/zinc/78/26/13/950782613.db2.gz PWEHBNUVNQFESA-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575929274 950783289 /nfs/dbraw/zinc/78/32/89/950783289.db2.gz BLAYNJCPCQMRRY-GXSJLCMTSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575929274 950783304 /nfs/dbraw/zinc/78/33/04/950783304.db2.gz BLAYNJCPCQMRRY-GXSJLCMTSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218421 950789824 /nfs/dbraw/zinc/78/98/24/950789824.db2.gz RKKLPCQUSBVFBT-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218421 950789839 /nfs/dbraw/zinc/78/98/39/950789839.db2.gz RKKLPCQUSBVFBT-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)co1 ZINC001573884320 950791406 /nfs/dbraw/zinc/79/14/06/950791406.db2.gz CTUWSHBQRKGWIC-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)co1 ZINC001573884320 950791418 /nfs/dbraw/zinc/79/14/18/950791418.db2.gz CTUWSHBQRKGWIC-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575632180 950792215 /nfs/dbraw/zinc/79/22/15/950792215.db2.gz CZBYWEXYGKQJPU-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575632180 950792236 /nfs/dbraw/zinc/79/22/36/950792236.db2.gz CZBYWEXYGKQJPU-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576218784 950793541 /nfs/dbraw/zinc/79/35/41/950793541.db2.gz RNXBRLKJDVLQLN-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576218784 950793553 /nfs/dbraw/zinc/79/35/53/950793553.db2.gz RNXBRLKJDVLQLN-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575930651 950796530 /nfs/dbraw/zinc/79/65/30/950796530.db2.gz FUBSWHWEWUDDSX-BDAKNGLRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575930651 950796555 /nfs/dbraw/zinc/79/65/55/950796555.db2.gz FUBSWHWEWUDDSX-BDAKNGLRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1CCn2cc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)nc2C1 ZINC001576218940 950800135 /nfs/dbraw/zinc/80/01/35/950800135.db2.gz RXPHGZWPBKLOKB-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCn2cc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)nc2C1 ZINC001576218940 950800149 /nfs/dbraw/zinc/80/01/49/950800149.db2.gz RXPHGZWPBKLOKB-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219106 950801386 /nfs/dbraw/zinc/80/13/86/950801386.db2.gz SKHNDIATIIZLTO-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219106 950801401 /nfs/dbraw/zinc/80/14/01/950801401.db2.gz SKHNDIATIIZLTO-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)C1 ZINC001575632494 950801608 /nfs/dbraw/zinc/80/16/08/950801608.db2.gz JWGAKLVUCIBEBQ-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)C1 ZINC001575632494 950801626 /nfs/dbraw/zinc/80/16/26/950801626.db2.gz JWGAKLVUCIBEBQ-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)C1 ZINC001575632496 950801842 /nfs/dbraw/zinc/80/18/42/950801842.db2.gz JWGAKLVUCIBEBQ-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)C1 ZINC001575632496 950801864 /nfs/dbraw/zinc/80/18/64/950801864.db2.gz JWGAKLVUCIBEBQ-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574185511 950803053 /nfs/dbraw/zinc/80/30/53/950803053.db2.gz ZPWMTECTBBJGNF-AAEUAGOBSA-N -1 1 375.433 0.850 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576219195 950805606 /nfs/dbraw/zinc/80/56/06/950805606.db2.gz SSWAIGOWOMJFNB-BMIGLBTASA-N -1 1 382.432 0.298 20 0 GCADMM C[C@@H](CN(C)C(=O)c1snnc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765996 950805710 /nfs/dbraw/zinc/80/57/10/950805710.db2.gz HKPAJZYUPBMPOC-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CN(C)C(=O)c1snnc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765996 950805733 /nfs/dbraw/zinc/80/57/33/950805733.db2.gz HKPAJZYUPBMPOC-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CN(C)C(=O)c1snnc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765995 950809306 /nfs/dbraw/zinc/80/93/06/950809306.db2.gz HKPAJZYUPBMPOC-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CN(C)C(=O)c1snnc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765995 950809320 /nfs/dbraw/zinc/80/93/20/950809320.db2.gz HKPAJZYUPBMPOC-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575632898 950812846 /nfs/dbraw/zinc/81/28/46/950812846.db2.gz PILGXMIUSWDIQX-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575632898 950812867 /nfs/dbraw/zinc/81/28/67/950812867.db2.gz PILGXMIUSWDIQX-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575932688 950830541 /nfs/dbraw/zinc/83/05/41/950830541.db2.gz LRCYQQHMRJEXRQ-ZWNOBZJWSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575932688 950830562 /nfs/dbraw/zinc/83/05/62/950830562.db2.gz LRCYQQHMRJEXRQ-ZWNOBZJWSA-N -1 1 383.391 0.835 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)co1 ZINC001573885556 950831987 /nfs/dbraw/zinc/83/19/87/950831987.db2.gz UBGDOUVPEGJHAJ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)co1 ZINC001573885556 950832011 /nfs/dbraw/zinc/83/20/11/950832011.db2.gz UBGDOUVPEGJHAJ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576220637 950836916 /nfs/dbraw/zinc/83/69/16/950836916.db2.gz RYATVVGPOOLJRD-WDEREUQCSA-N -1 1 387.448 0.065 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576220637 950836940 /nfs/dbraw/zinc/83/69/40/950836940.db2.gz RYATVVGPOOLJRD-WDEREUQCSA-N -1 1 387.448 0.065 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)N(C)CCNc3ccnc(-c4nn[n-]n4)n3)cn2C1 ZINC001576220954 950841288 /nfs/dbraw/zinc/84/12/88/950841288.db2.gz YEFUFVVAJDISAW-LLVKDONJSA-N -1 1 382.432 0.042 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573888022 950858936 /nfs/dbraw/zinc/85/89/36/950858936.db2.gz NYHLECODTFQFRW-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573888022 950858953 /nfs/dbraw/zinc/85/89/53/950858953.db2.gz NYHLECODTFQFRW-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(OCC(N)=O)c2)n1 ZINC001573888010 950859706 /nfs/dbraw/zinc/85/97/06/950859706.db2.gz NNYBMHRFCGSFSO-UHFFFAOYSA-N -1 1 384.400 0.935 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(OCC(N)=O)c2)n1 ZINC001573888010 950859727 /nfs/dbraw/zinc/85/97/27/950859727.db2.gz NNYBMHRFCGSFSO-UHFFFAOYSA-N -1 1 384.400 0.935 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)n1 ZINC001573888325 950864238 /nfs/dbraw/zinc/86/42/38/950864238.db2.gz TWKKNIYZEJBERH-QALDDWHKSA-N -1 1 387.400 0.477 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)n1 ZINC001573888325 950864259 /nfs/dbraw/zinc/86/42/59/950864259.db2.gz TWKKNIYZEJBERH-QALDDWHKSA-N -1 1 387.400 0.477 20 0 GCADMM CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574189178 950865245 /nfs/dbraw/zinc/86/52/45/950865245.db2.gz DRLWWTHJRRPVGV-GOSISDBHSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574189178 950865264 /nfs/dbraw/zinc/86/52/64/950865264.db2.gz DRLWWTHJRRPVGV-GOSISDBHSA-N -1 1 388.476 0.931 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCOC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639435 950868272 /nfs/dbraw/zinc/86/82/72/950868272.db2.gz BNDKRWBMVBMYFH-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCOC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639435 950868287 /nfs/dbraw/zinc/86/82/87/950868287.db2.gz BNDKRWBMVBMYFH-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574189234 950868765 /nfs/dbraw/zinc/86/87/65/950868765.db2.gz GIPQEVHHVOXMAM-SFHVURJKSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574189234 950868800 /nfs/dbraw/zinc/86/88/00/950868800.db2.gz GIPQEVHHVOXMAM-SFHVURJKSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574189233 950869955 /nfs/dbraw/zinc/86/99/55/950869955.db2.gz GIPQEVHHVOXMAM-GOSISDBHSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574189233 950869965 /nfs/dbraw/zinc/86/99/65/950869965.db2.gz GIPQEVHHVOXMAM-GOSISDBHSA-N -1 1 388.476 0.931 20 0 GCADMM C[C@@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768026 950877741 /nfs/dbraw/zinc/87/77/41/950877741.db2.gz WVJCOHSZPIPTSG-JTQLQIEISA-N -1 1 383.416 0.907 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575935469 950883143 /nfs/dbraw/zinc/88/31/43/950883143.db2.gz WXLJYXMNVXJIJC-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575935469 950883165 /nfs/dbraw/zinc/88/31/65/950883165.db2.gz WXLJYXMNVXJIJC-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576226864 950892306 /nfs/dbraw/zinc/89/23/06/950892306.db2.gz CLHUGDHWOZNVAI-SGTLLEGYSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573893605 950894645 /nfs/dbraw/zinc/89/46/45/950894645.db2.gz MYQWKZMICAJVDC-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573893605 950894654 /nfs/dbraw/zinc/89/46/54/950894654.db2.gz MYQWKZMICAJVDC-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574768580 950895670 /nfs/dbraw/zinc/89/56/70/950895670.db2.gz ZJIFORLZEWAAER-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574768580 950895685 /nfs/dbraw/zinc/89/56/85/950895685.db2.gz ZJIFORLZEWAAER-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1cccnc1 ZINC001575935857 950897326 /nfs/dbraw/zinc/89/73/26/950897326.db2.gz ZXEFDDZEWGKDLH-AAEUAGOBSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1cccnc1 ZINC001575935857 950897342 /nfs/dbraw/zinc/89/73/42/950897342.db2.gz ZXEFDDZEWGKDLH-AAEUAGOBSA-N -1 1 381.400 0.532 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893725 950899720 /nfs/dbraw/zinc/89/97/20/950899720.db2.gz SZBAZMKUEIDYPS-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893725 950899734 /nfs/dbraw/zinc/89/97/34/950899734.db2.gz SZBAZMKUEIDYPS-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001573893805 950905865 /nfs/dbraw/zinc/90/58/65/950905865.db2.gz XKAOAZMDULOIOL-UHFFFAOYSA-N -1 1 387.473 0.889 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575936188 950905961 /nfs/dbraw/zinc/90/59/61/950905961.db2.gz CPKXJKYRJKYSBJ-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575936188 950905994 /nfs/dbraw/zinc/90/59/94/950905994.db2.gz CPKXJKYRJKYSBJ-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575936187 950906509 /nfs/dbraw/zinc/90/65/09/950906509.db2.gz CPKXJKYRJKYSBJ-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575936187 950906519 /nfs/dbraw/zinc/90/65/19/950906519.db2.gz CPKXJKYRJKYSBJ-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893888 950908147 /nfs/dbraw/zinc/90/81/47/950908147.db2.gz AQBGBXHXQSCMAN-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1ccc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001573893889 950911056 /nfs/dbraw/zinc/91/10/56/950911056.db2.gz AQGBGIYPUKZFAS-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1ccc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001573893889 950911076 /nfs/dbraw/zinc/91/10/76/950911076.db2.gz AQGBGIYPUKZFAS-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576227461 950912137 /nfs/dbraw/zinc/91/21/37/950912137.db2.gz CTRDXQCMLDDWHA-RYUDHWBXSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576227461 950912148 /nfs/dbraw/zinc/91/21/48/950912148.db2.gz CTRDXQCMLDDWHA-RYUDHWBXSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574527928 950913221 /nfs/dbraw/zinc/91/32/21/950913221.db2.gz IQAFLSBJGWCDJC-NXEZZACHSA-N -1 1 384.400 0.622 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575936233 950914303 /nfs/dbraw/zinc/91/43/03/950914303.db2.gz DGAGUXYRAAQZSL-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575936233 950914322 /nfs/dbraw/zinc/91/43/22/950914322.db2.gz DGAGUXYRAAQZSL-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001573893984 950915487 /nfs/dbraw/zinc/91/54/87/950915487.db2.gz HKQULOAFFVPACX-LBPRGKRZSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573893984 950915506 /nfs/dbraw/zinc/91/55/06/950915506.db2.gz HKQULOAFFVPACX-LBPRGKRZSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575936619 950921189 /nfs/dbraw/zinc/92/11/89/950921189.db2.gz GSDJIZGBFXHPQR-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575936619 950921202 /nfs/dbraw/zinc/92/12/02/950921202.db2.gz GSDJIZGBFXHPQR-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)n1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)nn1 ZINC001573894109 950922702 /nfs/dbraw/zinc/92/27/02/950922702.db2.gz MEIFOYJQBMPCPV-UHFFFAOYSA-N -1 1 387.473 0.889 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001573894472 950926556 /nfs/dbraw/zinc/92/65/56/950926556.db2.gz SMBFMXSWZXYZSS-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001573894472 950926567 /nfs/dbraw/zinc/92/65/67/950926567.db2.gz SMBFMXSWZXYZSS-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)nn1 ZINC001573894478 950929699 /nfs/dbraw/zinc/92/96/99/950929699.db2.gz SMHLXELMHWQVOW-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001573894478 950929713 /nfs/dbraw/zinc/92/97/13/950929713.db2.gz SMHLXELMHWQVOW-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228138 950934805 /nfs/dbraw/zinc/93/48/05/950934805.db2.gz JFZFVGHBLYIQCE-BLLLJJGKSA-N -1 1 390.451 0.752 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001573894712 950935899 /nfs/dbraw/zinc/93/58/99/950935899.db2.gz YZUKSLNSYUZKKN-TXEJJXNPSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001573894712 950935907 /nfs/dbraw/zinc/93/59/07/950935907.db2.gz YZUKSLNSYUZKKN-TXEJJXNPSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(F)F ZINC001573895556 950941773 /nfs/dbraw/zinc/94/17/73/950941773.db2.gz CIVIYVRSXHBMQO-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(F)F ZINC001573895556 950941791 /nfs/dbraw/zinc/94/17/91/950941791.db2.gz CIVIYVRSXHBMQO-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001575642905 950951788 /nfs/dbraw/zinc/95/17/88/950951788.db2.gz JKGZJVWEMYESGH-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM CC(C)(CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573897211 950955418 /nfs/dbraw/zinc/95/54/18/950955418.db2.gz MJZDFCMCBFLEKN-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573897211 950955440 /nfs/dbraw/zinc/95/54/40/950955440.db2.gz MJZDFCMCBFLEKN-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575937677 950957253 /nfs/dbraw/zinc/95/72/53/950957253.db2.gz LEOSDGVBBWGNHH-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575937677 950957276 /nfs/dbraw/zinc/95/72/76/950957276.db2.gz LEOSDGVBBWGNHH-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cnon2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575643085 950960121 /nfs/dbraw/zinc/96/01/21/950960121.db2.gz XNHXXQOEBQNSJL-SNVBAGLBSA-N -1 1 384.404 0.465 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cnon2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575643085 950960133 /nfs/dbraw/zinc/96/01/33/950960133.db2.gz XNHXXQOEBQNSJL-SNVBAGLBSA-N -1 1 384.404 0.465 20 0 GCADMM CC1(C)C[C@@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c2ccccc21 ZINC001575643206 950964482 /nfs/dbraw/zinc/96/44/82/950964482.db2.gz ZXADECJUWAELSY-CYBMUJFWSA-N -1 1 381.396 0.668 20 0 GCADMM CC(C)(CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(F)(F)F ZINC001573899674 950984514 /nfs/dbraw/zinc/98/45/14/950984514.db2.gz IBYWDCGTGAAKHL-UHFFFAOYSA-N -1 1 375.311 0.224 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573899804 950988352 /nfs/dbraw/zinc/98/83/52/950988352.db2.gz KIASQXWAKPERDN-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573899804 950988366 /nfs/dbraw/zinc/98/83/66/950988366.db2.gz KIASQXWAKPERDN-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575017422 950993636 /nfs/dbraw/zinc/99/36/36/950993636.db2.gz FURHYZJSNSPIFV-QMMMGPOBSA-N -1 1 375.343 0.642 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024374 951101016 /nfs/dbraw/zinc/10/10/16/951101016.db2.gz CFNIVMGTSGEROW-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024374 951101023 /nfs/dbraw/zinc/10/10/23/951101023.db2.gz CFNIVMGTSGEROW-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024412 951101838 /nfs/dbraw/zinc/10/18/38/951101838.db2.gz DDLBELCQRWJTKI-NSHDSACASA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024412 951101849 /nfs/dbraw/zinc/10/18/49/951101849.db2.gz DDLBELCQRWJTKI-NSHDSACASA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024602 951110242 /nfs/dbraw/zinc/11/02/42/951110242.db2.gz IWQMJYSCYQXITL-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024602 951110252 /nfs/dbraw/zinc/11/02/52/951110252.db2.gz IWQMJYSCYQXITL-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024744 951116162 /nfs/dbraw/zinc/11/61/62/951116162.db2.gz LTHWSGGFXSFXRW-NSHDSACASA-N -1 1 380.412 0.382 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024991 951123611 /nfs/dbraw/zinc/12/36/11/951123611.db2.gz RFOAEPRYJCFHEM-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024991 951123617 /nfs/dbraw/zinc/12/36/17/951123617.db2.gz RFOAEPRYJCFHEM-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025439 951130186 /nfs/dbraw/zinc/13/01/86/951130186.db2.gz ZHNOMOMPTJLDBQ-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025439 951130193 /nfs/dbraw/zinc/13/01/93/951130193.db2.gz ZHNOMOMPTJLDBQ-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025325 951130479 /nfs/dbraw/zinc/13/04/79/951130479.db2.gz YAPSWZPMRMSZBL-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025325 951130484 /nfs/dbraw/zinc/13/04/84/951130484.db2.gz YAPSWZPMRMSZBL-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2nccn21)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026912 951148217 /nfs/dbraw/zinc/14/82/17/951148217.db2.gz AYEBVWNIVJLGPM-NSHDSACASA-N -1 1 378.400 0.559 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2nccn21)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026912 951148221 /nfs/dbraw/zinc/14/82/21/951148221.db2.gz AYEBVWNIVJLGPM-NSHDSACASA-N -1 1 378.400 0.559 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575028199 951169204 /nfs/dbraw/zinc/16/92/04/951169204.db2.gz MCYKGCRFPCTEQU-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575028199 951169210 /nfs/dbraw/zinc/16/92/10/951169210.db2.gz MCYKGCRFPCTEQU-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575028175 951170238 /nfs/dbraw/zinc/17/02/38/951170238.db2.gz LWWRAKLSEBWEES-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575028175 951170245 /nfs/dbraw/zinc/17/02/45/951170245.db2.gz LWWRAKLSEBWEES-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575033971 951235927 /nfs/dbraw/zinc/23/59/27/951235927.db2.gz FSIDQEHWGBUZCX-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575033971 951235935 /nfs/dbraw/zinc/23/59/35/951235935.db2.gz FSIDQEHWGBUZCX-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575034053 951238192 /nfs/dbraw/zinc/23/81/92/951238192.db2.gz HZGVJOIUJUFIQJ-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575034053 951238201 /nfs/dbraw/zinc/23/82/01/951238201.db2.gz HZGVJOIUJUFIQJ-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc2ccnn21)CNc1nccnc1-c1nnn[n-]1 ZINC001575034313 951244971 /nfs/dbraw/zinc/24/49/71/951244971.db2.gz LZFZSZQWSJKGFS-SNVBAGLBSA-N -1 1 379.388 0.177 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc2ccnn21)CNc1nccnc1-c1nn[n-]n1 ZINC001575034313 951244979 /nfs/dbraw/zinc/24/49/79/951244979.db2.gz LZFZSZQWSJKGFS-SNVBAGLBSA-N -1 1 379.388 0.177 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575034991 951262917 /nfs/dbraw/zinc/26/29/17/951262917.db2.gz RSULCEUKBHFWAQ-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575034991 951262936 /nfs/dbraw/zinc/26/29/36/951262936.db2.gz RSULCEUKBHFWAQ-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575035289 951269571 /nfs/dbraw/zinc/26/95/71/951269571.db2.gz VODGXGNGFCGZQH-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575035289 951269582 /nfs/dbraw/zinc/26/95/82/951269582.db2.gz VODGXGNGFCGZQH-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575035288 951270253 /nfs/dbraw/zinc/27/02/53/951270253.db2.gz VODGXGNGFCGZQH-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575035288 951270268 /nfs/dbraw/zinc/27/02/68/951270268.db2.gz VODGXGNGFCGZQH-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575035521 951277701 /nfs/dbraw/zinc/27/77/01/951277701.db2.gz JVKKLXZRVBBDPP-SNVBAGLBSA-N -1 1 380.416 0.224 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575035779 951281808 /nfs/dbraw/zinc/28/18/08/951281808.db2.gz LKENZFVUMJRPIP-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575035779 951281821 /nfs/dbraw/zinc/28/18/21/951281821.db2.gz LKENZFVUMJRPIP-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(-n2ccnc2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575035822 951286765 /nfs/dbraw/zinc/28/67/65/951286765.db2.gz MHDUEWBSXRNYMU-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575036001 951288044 /nfs/dbraw/zinc/28/80/44/951288044.db2.gz OKRNYGVXAZBXCM-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575036001 951288055 /nfs/dbraw/zinc/28/80/55/951288055.db2.gz OKRNYGVXAZBXCM-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(-n2cccn2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575036447 951294936 /nfs/dbraw/zinc/29/49/36/951294936.db2.gz SBARYQCLYPIHCF-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(-n2cccn2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575036447 951294943 /nfs/dbraw/zinc/29/49/43/951294943.db2.gz SBARYQCLYPIHCF-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575036643 951299355 /nfs/dbraw/zinc/29/93/55/951299355.db2.gz UWJWFWOOSQESSG-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575036967 951304069 /nfs/dbraw/zinc/30/40/69/951304069.db2.gz ZFDYUTRBVOSOTK-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575036967 951304078 /nfs/dbraw/zinc/30/40/78/951304078.db2.gz ZFDYUTRBVOSOTK-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cn(-c2ccccc2)nn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575038165 951315465 /nfs/dbraw/zinc/31/54/65/951315465.db2.gz GIRXDJPFOFKSBJ-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1cn(-c2ccccc2)nn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575038165 951315482 /nfs/dbraw/zinc/31/54/82/951315482.db2.gz GIRXDJPFOFKSBJ-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)cn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575041736 951347801 /nfs/dbraw/zinc/34/78/01/951347801.db2.gz ASGSNLOOUXANAY-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)cn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575041736 951347817 /nfs/dbraw/zinc/34/78/17/951347817.db2.gz ASGSNLOOUXANAY-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575041767 951349795 /nfs/dbraw/zinc/34/97/95/951349795.db2.gz BNQNRDXHHBXEAP-YFKPBYRVSA-N -1 1 383.825 0.646 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575042403 951361997 /nfs/dbraw/zinc/36/19/97/951361997.db2.gz JFFWCBXAOAHYPZ-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575042403 951362008 /nfs/dbraw/zinc/36/20/08/951362008.db2.gz JFFWCBXAOAHYPZ-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575042884 951373497 /nfs/dbraw/zinc/37/34/97/951373497.db2.gz MXNWTRKGURIDJB-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575042884 951373507 /nfs/dbraw/zinc/37/35/07/951373507.db2.gz MXNWTRKGURIDJB-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575043030 951379814 /nfs/dbraw/zinc/37/98/14/951379814.db2.gz NTPQJUCJEUVLSP-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043238 951383637 /nfs/dbraw/zinc/38/36/37/951383637.db2.gz PGUDVLBZBQDSJV-JTQLQIEISA-N -1 1 383.420 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575043294 951385220 /nfs/dbraw/zinc/38/52/20/951385220.db2.gz PTVMFYQOJSWNBR-SNVBAGLBSA-N -1 1 383.420 0.451 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575043294 951385234 /nfs/dbraw/zinc/38/52/34/951385234.db2.gz PTVMFYQOJSWNBR-SNVBAGLBSA-N -1 1 383.420 0.451 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575043266 951386877 /nfs/dbraw/zinc/38/68/77/951386877.db2.gz PMTYZHBLRUSYRO-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575043266 951386891 /nfs/dbraw/zinc/38/68/91/951386891.db2.gz PMTYZHBLRUSYRO-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575043346 951391203 /nfs/dbraw/zinc/39/12/03/951391203.db2.gz QSMMPRCQHFBWDK-RXMQYKEDSA-N -1 1 383.825 0.646 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575043458 951391877 /nfs/dbraw/zinc/39/18/77/951391877.db2.gz JNNUSQGEFSLLAQ-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575043458 951391889 /nfs/dbraw/zinc/39/18/89/951391889.db2.gz JNNUSQGEFSLLAQ-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043440 951393225 /nfs/dbraw/zinc/39/32/25/951393225.db2.gz JHICKJFUMQMVPY-BXKDBHETSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575043535 951396645 /nfs/dbraw/zinc/39/66/45/951396645.db2.gz TUMZOLSJQUGIPG-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575043535 951396649 /nfs/dbraw/zinc/39/66/49/951396649.db2.gz TUMZOLSJQUGIPG-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575043618 951400422 /nfs/dbraw/zinc/40/04/22/951400422.db2.gz KTCBWJDKUZZDGD-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575043618 951400433 /nfs/dbraw/zinc/40/04/33/951400433.db2.gz KTCBWJDKUZZDGD-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575043924 951406038 /nfs/dbraw/zinc/40/60/38/951406038.db2.gz WSBKKUQQPJATRY-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575043924 951406046 /nfs/dbraw/zinc/40/60/46/951406046.db2.gz WSBKKUQQPJATRY-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575043899 951406124 /nfs/dbraw/zinc/40/61/24/951406124.db2.gz MVBCFVUUTQZZMQ-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575043899 951406132 /nfs/dbraw/zinc/40/61/32/951406132.db2.gz MVBCFVUUTQZZMQ-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575044607 951416216 /nfs/dbraw/zinc/41/62/16/951416216.db2.gz SPBGURAJBISCQO-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575044607 951416223 /nfs/dbraw/zinc/41/62/23/951416223.db2.gz SPBGURAJBISCQO-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575044809 951418936 /nfs/dbraw/zinc/41/89/36/951418936.db2.gz VLEDULDPMGBWTG-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575044875 951420263 /nfs/dbraw/zinc/42/02/63/951420263.db2.gz WJCGRIOZYPEALP-JTQLQIEISA-N -1 1 382.432 0.397 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n[nH]cc2c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575044949 951422782 /nfs/dbraw/zinc/42/27/82/951422782.db2.gz XWZMMMFBFUQJDE-VIFPVBQESA-N -1 1 379.388 0.406 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n[nH]cc2c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575044949 951422790 /nfs/dbraw/zinc/42/27/90/951422790.db2.gz XWZMMMFBFUQJDE-VIFPVBQESA-N -1 1 379.388 0.406 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575045641 951431363 /nfs/dbraw/zinc/43/13/63/951431363.db2.gz FZDYEIVDKONHTC-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575045641 951431376 /nfs/dbraw/zinc/43/13/76/951431376.db2.gz FZDYEIVDKONHTC-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cncn1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575046225 951437744 /nfs/dbraw/zinc/43/77/44/951437744.db2.gz LMKJMDBGJFHREQ-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cncn1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575046225 951437762 /nfs/dbraw/zinc/43/77/62/951437762.db2.gz LMKJMDBGJFHREQ-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575046301 951439894 /nfs/dbraw/zinc/43/98/94/951439894.db2.gz MQOQQBHSAJPBRN-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575046301 951439903 /nfs/dbraw/zinc/43/99/03/951439903.db2.gz MQOQQBHSAJPBRN-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cncn1-c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575046606 951443520 /nfs/dbraw/zinc/44/35/20/951443520.db2.gz PYQWGCJNBMHQAT-LBPRGKRZSA-N -1 1 390.411 0.495 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575051984 951458896 /nfs/dbraw/zinc/45/88/96/951458896.db2.gz CUVJEMPPZIRRJL-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575051984 951458904 /nfs/dbraw/zinc/45/89/04/951458904.db2.gz CUVJEMPPZIRRJL-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575052479 951465673 /nfs/dbraw/zinc/46/56/73/951465673.db2.gz JZQRJVJFUWPOSH-LLVKDONJSA-N -1 1 382.432 0.741 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575052479 951465680 /nfs/dbraw/zinc/46/56/80/951465680.db2.gz JZQRJVJFUWPOSH-LLVKDONJSA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575053649 951480543 /nfs/dbraw/zinc/48/05/43/951480543.db2.gz SSPAAYCBQCBESI-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575054216 951489257 /nfs/dbraw/zinc/48/92/57/951489257.db2.gz XOQIRKDBCWFFNQ-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575054592 951494516 /nfs/dbraw/zinc/49/45/16/951494516.db2.gz YVRQZUDUQLGPCW-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575054592 951494522 /nfs/dbraw/zinc/49/45/22/951494522.db2.gz YVRQZUDUQLGPCW-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575055311 951503859 /nfs/dbraw/zinc/50/38/59/951503859.db2.gz QBUDLNFQBCHZGJ-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575055311 951503866 /nfs/dbraw/zinc/50/38/66/951503866.db2.gz QBUDLNFQBCHZGJ-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575058014 951532886 /nfs/dbraw/zinc/53/28/86/951532886.db2.gz UBPFNVNDNLEHHY-JTQLQIEISA-N -1 1 383.416 0.497 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575057857 951532938 /nfs/dbraw/zinc/53/29/38/951532938.db2.gz RSTDTYUWSJTELH-JTQLQIEISA-N -1 1 383.416 0.852 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575057857 951532947 /nfs/dbraw/zinc/53/29/47/951532947.db2.gz RSTDTYUWSJTELH-JTQLQIEISA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1csc(Cl)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575058076 951535784 /nfs/dbraw/zinc/53/57/84/951535784.db2.gz ULVSJQIFKHRQMU-ZETCQYMHSA-N -1 1 379.837 0.667 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575060673 951544571 /nfs/dbraw/zinc/54/45/71/951544571.db2.gz CPVFHZUAHDXJLT-SNVBAGLBSA-N -1 1 382.432 0.513 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575060673 951544580 /nfs/dbraw/zinc/54/45/80/951544580.db2.gz CPVFHZUAHDXJLT-SNVBAGLBSA-N -1 1 382.432 0.513 20 0 GCADMM C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575060805 951549596 /nfs/dbraw/zinc/54/95/96/951549596.db2.gz GUTQOKCJLHZSQX-ZETCQYMHSA-N -1 1 379.837 0.667 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575062082 951565307 /nfs/dbraw/zinc/56/53/07/951565307.db2.gz SSRMLHADYIEYRA-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575062082 951565313 /nfs/dbraw/zinc/56/53/13/951565313.db2.gz SSRMLHADYIEYRA-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575062815 951570427 /nfs/dbraw/zinc/57/04/27/951570427.db2.gz YYUJOLQWKKWTKU-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575062815 951570435 /nfs/dbraw/zinc/57/04/35/951570435.db2.gz YYUJOLQWKKWTKU-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575064914 951579174 /nfs/dbraw/zinc/57/91/74/951579174.db2.gz FHDDKKOHJLPJNB-SECBINFHSA-N -1 1 385.388 0.195 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575064914 951579189 /nfs/dbraw/zinc/57/91/89/951579189.db2.gz FHDDKKOHJLPJNB-SECBINFHSA-N -1 1 385.388 0.195 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C)n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065286 951580973 /nfs/dbraw/zinc/58/09/73/951580973.db2.gz BEKYCVWXGOGTBI-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C)n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065286 951580977 /nfs/dbraw/zinc/58/09/77/951580977.db2.gz BEKYCVWXGOGTBI-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575065277 951582706 /nfs/dbraw/zinc/58/27/06/951582706.db2.gz BDXTZUVZIOWODW-LLVKDONJSA-N -1 1 382.432 0.089 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575065759 951586872 /nfs/dbraw/zinc/58/68/72/951586872.db2.gz IGZMHDFGGCUWCQ-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575065759 951586880 /nfs/dbraw/zinc/58/68/80/951586880.db2.gz IGZMHDFGGCUWCQ-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575065745 951587979 /nfs/dbraw/zinc/58/79/79/951587979.db2.gz IFLNWSOCLBZLOU-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575065745 951587986 /nfs/dbraw/zinc/58/79/86/951587986.db2.gz IFLNWSOCLBZLOU-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575065901 951589222 /nfs/dbraw/zinc/58/92/22/951589222.db2.gz JFAFGLPHJBNRDT-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575065901 951589230 /nfs/dbraw/zinc/58/92/30/951589230.db2.gz JFAFGLPHJBNRDT-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575065904 951590840 /nfs/dbraw/zinc/59/08/40/951590840.db2.gz JFAFGLPHJBNRDT-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575065904 951590850 /nfs/dbraw/zinc/59/08/50/951590850.db2.gz JFAFGLPHJBNRDT-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575067102 951602367 /nfs/dbraw/zinc/60/23/67/951602367.db2.gz IBBUJZZCXWSEDX-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575067204 951603835 /nfs/dbraw/zinc/60/38/35/951603835.db2.gz KFBPGTIEXACZNW-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575067204 951603846 /nfs/dbraw/zinc/60/38/46/951603846.db2.gz KFBPGTIEXACZNW-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575067418 951611489 /nfs/dbraw/zinc/61/14/89/951611489.db2.gz LQIUTETYXQGCIM-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575067418 951611496 /nfs/dbraw/zinc/61/14/96/951611496.db2.gz LQIUTETYXQGCIM-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575067431 951612280 /nfs/dbraw/zinc/61/22/80/951612280.db2.gz SMQGUPKNCIDHMW-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575067431 951612290 /nfs/dbraw/zinc/61/22/90/951612290.db2.gz SMQGUPKNCIDHMW-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575067470 951614518 /nfs/dbraw/zinc/61/45/18/951614518.db2.gz SWSNVZSNAUOBGZ-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575067470 951614524 /nfs/dbraw/zinc/61/45/24/951614524.db2.gz SWSNVZSNAUOBGZ-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575067969 951627706 /nfs/dbraw/zinc/62/77/06/951627706.db2.gz TYWOHTAGVUUNQB-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575067969 951627711 /nfs/dbraw/zinc/62/77/11/951627711.db2.gz TYWOHTAGVUUNQB-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2ccccn21)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068065 951629145 /nfs/dbraw/zinc/62/91/45/951629145.db2.gz WQRFWZVCBYNRFP-NSHDSACASA-N -1 1 378.400 0.559 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2ccccn21)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068065 951629148 /nfs/dbraw/zinc/62/91/48/951629148.db2.gz WQRFWZVCBYNRFP-NSHDSACASA-N -1 1 378.400 0.559 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575068034 951630121 /nfs/dbraw/zinc/63/01/21/951630121.db2.gz VUYHHVDAMZFJBG-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575068034 951630127 /nfs/dbraw/zinc/63/01/27/951630127.db2.gz VUYHHVDAMZFJBG-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575068035 951630327 /nfs/dbraw/zinc/63/03/27/951630327.db2.gz VUYHHVDAMZFJBG-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575068035 951630336 /nfs/dbraw/zinc/63/03/36/951630336.db2.gz VUYHHVDAMZFJBG-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575069469 951643779 /nfs/dbraw/zinc/64/37/79/951643779.db2.gz JICACOZAMMZBNC-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM O=C([O-])CN1CCC(NC(=O)c2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC001595078222 951658443 /nfs/dbraw/zinc/65/84/43/951658443.db2.gz ICHHYQXVULWVCP-UHFFFAOYSA-N -1 1 376.381 0.962 20 0 GCADMM O=C([O-])CN1CCC[C@H](C(=O)N2CCC(CCN3CCOCC3)CC2)C1=O ZINC001595085447 951722809 /nfs/dbraw/zinc/72/28/09/951722809.db2.gz ADQBPBKEOYVIQA-MRXNPFEDSA-N -1 1 381.473 0.271 20 0 GCADMM O=C([O-])CN1CCC[C@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)C1=O ZINC001595087766 951750286 /nfs/dbraw/zinc/75/02/86/951750286.db2.gz XXMIIZPWRBQKQM-QGZVFWFLSA-N -1 1 395.500 0.661 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCC(CN3CCOCC3)CC2)C1=O ZINC001595091229 951776063 /nfs/dbraw/zinc/77/60/63/951776063.db2.gz XPTMRBVEJMWQQG-INIZCTEOSA-N -1 1 396.488 0.206 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCC[C@@H](N3CCOCC3)CC2)C1=O ZINC001595091741 951782796 /nfs/dbraw/zinc/78/27/96/951782796.db2.gz UMNPOEWIBDOYRK-CVEARBPZSA-N -1 1 396.488 0.348 20 0 GCADMM O=C([O-])CS(=O)(=O)CCS(=O)(=O)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC001595125476 952012721 /nfs/dbraw/zinc/01/27/21/952012721.db2.gz WKXRJEOBRNAEKM-UHFFFAOYSA-N -1 1 393.830 0.398 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575128884 952074578 /nfs/dbraw/zinc/07/45/78/952074578.db2.gz NZWPRKNMCLJVBV-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575128884 952074586 /nfs/dbraw/zinc/07/45/86/952074586.db2.gz NZWPRKNMCLJVBV-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCOC1CCOCC1 ZINC001575132091 952090893 /nfs/dbraw/zinc/09/08/93/952090893.db2.gz CAMJCXODVDVRIW-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCOC1CCOCC1 ZINC001575132091 952090897 /nfs/dbraw/zinc/09/08/97/952090897.db2.gz CAMJCXODVDVRIW-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575133297 952102635 /nfs/dbraw/zinc/10/26/35/952102635.db2.gz DNVMPKVHNIEXKX-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575133297 952102638 /nfs/dbraw/zinc/10/26/38/952102638.db2.gz DNVMPKVHNIEXKX-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575133384 952104435 /nfs/dbraw/zinc/10/44/35/952104435.db2.gz KJVVKIZKVBLVLN-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575133762 952107133 /nfs/dbraw/zinc/10/71/33/952107133.db2.gz GOXOUHSQRLVNER-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575133762 952107139 /nfs/dbraw/zinc/10/71/39/952107139.db2.gz GOXOUHSQRLVNER-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575134083 952107941 /nfs/dbraw/zinc/10/79/41/952107941.db2.gz LXYNJWUWBVPJII-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575134083 952107945 /nfs/dbraw/zinc/10/79/45/952107945.db2.gz LXYNJWUWBVPJII-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575134103 952109086 /nfs/dbraw/zinc/10/90/86/952109086.db2.gz MBAGPXLCQVHGLK-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575134103 952109090 /nfs/dbraw/zinc/10/90/90/952109090.db2.gz MBAGPXLCQVHGLK-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575134703 952112641 /nfs/dbraw/zinc/11/26/41/952112641.db2.gz OKELQMMRBNQGNH-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575134703 952112647 /nfs/dbraw/zinc/11/26/47/952112647.db2.gz OKELQMMRBNQGNH-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575136236 952122833 /nfs/dbraw/zinc/12/28/33/952122833.db2.gz NXYYITWXEWRXRO-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575136236 952122836 /nfs/dbraw/zinc/12/28/36/952122836.db2.gz NXYYITWXEWRXRO-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575136419 952126465 /nfs/dbraw/zinc/12/64/65/952126465.db2.gz VFXGNVUQWQSXLU-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575136419 952126470 /nfs/dbraw/zinc/12/64/70/952126470.db2.gz VFXGNVUQWQSXLU-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575136851 952129149 /nfs/dbraw/zinc/12/91/49/952129149.db2.gz QEBCBOPHROVANG-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575136851 952129152 /nfs/dbraw/zinc/12/91/52/952129152.db2.gz QEBCBOPHROVANG-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575136827 952129269 /nfs/dbraw/zinc/12/92/69/952129269.db2.gz PXSTVWWSCJYOGU-LPSAFJIBSA-N -1 1 386.460 0.327 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1noc2c1COCC2 ZINC001575137237 952136003 /nfs/dbraw/zinc/13/60/03/952136003.db2.gz VQVLSJZUIWMMMY-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1noc2c1COCC2 ZINC001575137237 952136008 /nfs/dbraw/zinc/13/60/08/952136008.db2.gz VQVLSJZUIWMMMY-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575139711 952140707 /nfs/dbraw/zinc/14/07/07/952140707.db2.gz BCUBMTUXMRZBGO-QQDQCYIDSA-N -1 1 390.451 0.923 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575141562 952145549 /nfs/dbraw/zinc/14/55/49/952145549.db2.gz IEGAOIYGXAMSGC-QGZVFWFLSA-N -1 1 383.391 0.623 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575143135 952150284 /nfs/dbraw/zinc/15/02/84/952150284.db2.gz NWEXQAUNLQJQPR-ACJLOTCBSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575143439 952153536 /nfs/dbraw/zinc/15/35/36/952153536.db2.gz AJVSNBIWWLVPOG-QMMMGPOBSA-N -1 1 375.343 0.324 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575144195 952162631 /nfs/dbraw/zinc/16/26/31/952162631.db2.gz GYNYTXHTKQYJQV-GFCCVEGCSA-N -1 1 381.444 0.789 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575144672 952169278 /nfs/dbraw/zinc/16/92/78/952169278.db2.gz KFOPARNHJNPKBC-VIFPVBQESA-N -1 1 389.370 0.984 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575144756 952170853 /nfs/dbraw/zinc/17/08/53/952170853.db2.gz XWAWNRJXLPNHQL-GOSISDBHSA-N -1 1 381.444 0.667 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575145274 952181571 /nfs/dbraw/zinc/18/15/71/952181571.db2.gz UVZHCYYHLKEOMD-NSHDSACASA-N -1 1 380.412 0.586 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575145273 952181657 /nfs/dbraw/zinc/18/16/57/952181657.db2.gz UVZHCYYHLKEOMD-LLVKDONJSA-N -1 1 380.412 0.586 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575145390 952183062 /nfs/dbraw/zinc/18/30/62/952183062.db2.gz WXYZBHWXENFMHW-NSHDSACASA-N -1 1 382.432 0.184 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575145370 952183753 /nfs/dbraw/zinc/18/37/53/952183753.db2.gz WOUUNZGAGAMQLR-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575145464 952184980 /nfs/dbraw/zinc/18/49/80/952184980.db2.gz YBNYHLJWZHMAFL-SNVBAGLBSA-N -1 1 384.448 0.672 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575152993 952204896 /nfs/dbraw/zinc/20/48/96/952204896.db2.gz BTDIXWXBROZWLW-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575152993 952204900 /nfs/dbraw/zinc/20/49/00/952204900.db2.gz BTDIXWXBROZWLW-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575153351 952208202 /nfs/dbraw/zinc/20/82/02/952208202.db2.gz GRKHGRRMEWAWGW-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575153351 952208206 /nfs/dbraw/zinc/20/82/06/952208206.db2.gz GRKHGRRMEWAWGW-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575153864 952213066 /nfs/dbraw/zinc/21/30/66/952213066.db2.gz LQLZGXIRKHCPQS-OAHLLOKOSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1ccccc1=O ZINC001575153980 952214359 /nfs/dbraw/zinc/21/43/59/952214359.db2.gz NAMTWHOGNZYPFX-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1ccccc1=O ZINC001575153980 952214361 /nfs/dbraw/zinc/21/43/61/952214361.db2.gz NAMTWHOGNZYPFX-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575153996 952214838 /nfs/dbraw/zinc/21/48/38/952214838.db2.gz NEYGGCAUZZYOKZ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575153996 952214844 /nfs/dbraw/zinc/21/48/44/952214844.db2.gz NEYGGCAUZZYOKZ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575153943 952215466 /nfs/dbraw/zinc/21/54/66/952215466.db2.gz MLWQIQCBZMSHAH-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575154534 952226044 /nfs/dbraw/zinc/22/60/44/952226044.db2.gz RXVMMUGLRZJASJ-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575154689 952228767 /nfs/dbraw/zinc/22/87/67/952228767.db2.gz UOSQYUYUGYCYTB-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575154689 952228776 /nfs/dbraw/zinc/22/87/76/952228776.db2.gz UOSQYUYUGYCYTB-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575154911 952231363 /nfs/dbraw/zinc/23/13/63/952231363.db2.gz IGYIVTCQBFLFFP-HNNXBMFYSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575154911 952231369 /nfs/dbraw/zinc/23/13/69/952231369.db2.gz IGYIVTCQBFLFFP-HNNXBMFYSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575154825 952232237 /nfs/dbraw/zinc/23/22/37/952232237.db2.gz VWWSUDMJGGWZAP-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575154825 952232244 /nfs/dbraw/zinc/23/22/44/952232244.db2.gz VWWSUDMJGGWZAP-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575155006 952233118 /nfs/dbraw/zinc/23/31/18/952233118.db2.gz WAQMIHJKBARHMP-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575155006 952233124 /nfs/dbraw/zinc/23/31/24/952233124.db2.gz WAQMIHJKBARHMP-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575155380 952238714 /nfs/dbraw/zinc/23/87/14/952238714.db2.gz LUSPMHDIPCYWOT-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575155380 952238717 /nfs/dbraw/zinc/23/87/17/952238717.db2.gz LUSPMHDIPCYWOT-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1noc2c1COCC2 ZINC001575155562 952241564 /nfs/dbraw/zinc/24/15/64/952241564.db2.gz NJDFOKUHWQLYNI-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1noc2c1COCC2 ZINC001575155562 952241570 /nfs/dbraw/zinc/24/15/70/952241570.db2.gz NJDFOKUHWQLYNI-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575155725 952243022 /nfs/dbraw/zinc/24/30/22/952243022.db2.gz OYKUFUPERNOQMO-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575155725 952243027 /nfs/dbraw/zinc/24/30/27/952243027.db2.gz OYKUFUPERNOQMO-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575155640 952243548 /nfs/dbraw/zinc/24/35/48/952243548.db2.gz OUQYVDHFGVCGTM-CVEARBPZSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575155640 952243553 /nfs/dbraw/zinc/24/35/53/952243553.db2.gz OUQYVDHFGVCGTM-CVEARBPZSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575156513 952253075 /nfs/dbraw/zinc/25/30/75/952253075.db2.gz SURIVXDMPZSKQG-HNNXBMFYSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575156513 952253078 /nfs/dbraw/zinc/25/30/78/952253078.db2.gz SURIVXDMPZSKQG-HNNXBMFYSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575156454 952253165 /nfs/dbraw/zinc/25/31/65/952253165.db2.gz FTFFTDFOMKJYKB-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575156454 952253172 /nfs/dbraw/zinc/25/31/72/952253172.db2.gz FTFFTDFOMKJYKB-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575156514 952253751 /nfs/dbraw/zinc/25/37/51/952253751.db2.gz SURIVXDMPZSKQG-OAHLLOKOSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575156514 952253757 /nfs/dbraw/zinc/25/37/57/952253757.db2.gz SURIVXDMPZSKQG-OAHLLOKOSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575156507 952253927 /nfs/dbraw/zinc/25/39/27/952253927.db2.gz SSDHKCZHRAXZFP-LJMKFJKQSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575156507 952253935 /nfs/dbraw/zinc/25/39/35/952253935.db2.gz SSDHKCZHRAXZFP-LJMKFJKQSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575156579 952254957 /nfs/dbraw/zinc/25/49/57/952254957.db2.gz VDKRVIMNAONFBH-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575156579 952254963 /nfs/dbraw/zinc/25/49/63/952254963.db2.gz VDKRVIMNAONFBH-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575156837 952257616 /nfs/dbraw/zinc/25/76/16/952257616.db2.gz WGVVEKZAAOCPLR-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575156837 952257626 /nfs/dbraw/zinc/25/76/26/952257626.db2.gz WGVVEKZAAOCPLR-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575157307 952262807 /nfs/dbraw/zinc/26/28/07/952262807.db2.gz ZCXPKDFUKCTYDF-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575157307 952262810 /nfs/dbraw/zinc/26/28/10/952262810.db2.gz ZCXPKDFUKCTYDF-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575157408 952265145 /nfs/dbraw/zinc/26/51/45/952265145.db2.gz MOUQQSMWHVEDPC-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575157408 952265151 /nfs/dbraw/zinc/26/51/51/952265151.db2.gz MOUQQSMWHVEDPC-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575157944 952268610 /nfs/dbraw/zinc/26/86/10/952268610.db2.gz QKIIQQSKQATFPX-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575157944 952268614 /nfs/dbraw/zinc/26/86/14/952268614.db2.gz QKIIQQSKQATFPX-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575158567 952272748 /nfs/dbraw/zinc/27/27/48/952272748.db2.gz WKEQQUYEQUJKIB-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575158567 952272753 /nfs/dbraw/zinc/27/27/53/952272753.db2.gz WKEQQUYEQUJKIB-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575158667 952273211 /nfs/dbraw/zinc/27/32/11/952273211.db2.gz XAGNTUKVNFNXON-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575158667 952273217 /nfs/dbraw/zinc/27/32/17/952273217.db2.gz XAGNTUKVNFNXON-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575158615 952273580 /nfs/dbraw/zinc/27/35/80/952273580.db2.gz WPBURUBKFRMCJQ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575158615 952273586 /nfs/dbraw/zinc/27/35/86/952273586.db2.gz WPBURUBKFRMCJQ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575158984 952275125 /nfs/dbraw/zinc/27/51/25/952275125.db2.gz XUXOQVBJCBUHQX-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575158984 952275130 /nfs/dbraw/zinc/27/51/30/952275130.db2.gz XUXOQVBJCBUHQX-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575159287 952276600 /nfs/dbraw/zinc/27/66/00/952276600.db2.gz ZPTGUEQUPQGPGV-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575159287 952276605 /nfs/dbraw/zinc/27/66/05/952276605.db2.gz ZPTGUEQUPQGPGV-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn(C)n1 ZINC001575165252 952305722 /nfs/dbraw/zinc/30/57/22/952305722.db2.gz MIZMGYCOJMAPAB-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn(C)n1 ZINC001575165252 952305730 /nfs/dbraw/zinc/30/57/30/952305730.db2.gz MIZMGYCOJMAPAB-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)CCCC(N)=O ZINC001575165374 952308540 /nfs/dbraw/zinc/30/85/40/952308540.db2.gz OBWYFKLYMFJYPW-SSDOTTSWSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575165901 952316772 /nfs/dbraw/zinc/31/67/72/952316772.db2.gz RARZXKHXDMYQQO-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575166475 952326430 /nfs/dbraw/zinc/32/64/30/952326430.db2.gz WLKZONLQTGHAII-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575166475 952326439 /nfs/dbraw/zinc/32/64/39/952326439.db2.gz WLKZONLQTGHAII-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575166786 952330657 /nfs/dbraw/zinc/33/06/57/952330657.db2.gz ZDEPPULRXACGDP-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575174481 952372925 /nfs/dbraw/zinc/37/29/25/952372925.db2.gz PIOAFZNFSIIRMA-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575174481 952372933 /nfs/dbraw/zinc/37/29/33/952372933.db2.gz PIOAFZNFSIIRMA-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575174480 952373478 /nfs/dbraw/zinc/37/34/78/952373478.db2.gz PIOAFZNFSIIRMA-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575174480 952373486 /nfs/dbraw/zinc/37/34/86/952373486.db2.gz PIOAFZNFSIIRMA-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COCc1ccncc1 ZINC001575174624 952376237 /nfs/dbraw/zinc/37/62/37/952376237.db2.gz AVYYKOFWSFJVIK-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COCc1ccncc1 ZINC001575174624 952376242 /nfs/dbraw/zinc/37/62/42/952376242.db2.gz AVYYKOFWSFJVIK-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C(C)(C)C(N)=O ZINC001575174604 952376929 /nfs/dbraw/zinc/37/69/29/952376929.db2.gz AJFOVDQPTBOTAN-LURJTMIESA-N -1 1 386.869 0.747 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C(C)(C)C(N)=O ZINC001575174604 952376936 /nfs/dbraw/zinc/37/69/36/952376936.db2.gz AJFOVDQPTBOTAN-LURJTMIESA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](COCC1CCCCC1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575176502 952394042 /nfs/dbraw/zinc/39/40/42/952394042.db2.gz HPVCCFISJVTWNF-LLVKDONJSA-N -1 1 391.432 0.231 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575177210 952399437 /nfs/dbraw/zinc/39/94/37/952399437.db2.gz HEBYHZKJLGRABH-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575177210 952399441 /nfs/dbraw/zinc/39/94/41/952399441.db2.gz HEBYHZKJLGRABH-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575177770 952403601 /nfs/dbraw/zinc/40/36/01/952403601.db2.gz JPBHPOPOMRIBIW-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575177770 952403605 /nfs/dbraw/zinc/40/36/05/952403605.db2.gz JPBHPOPOMRIBIW-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)CCNC(N)=O ZINC001575178284 952406739 /nfs/dbraw/zinc/40/67/39/952406739.db2.gz LSPMWIKVJHLCDA-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)CCNC(N)=O ZINC001575178284 952406742 /nfs/dbraw/zinc/40/67/42/952406742.db2.gz LSPMWIKVJHLCDA-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575180239 952416788 /nfs/dbraw/zinc/41/67/88/952416788.db2.gz UFVPWCSHBUIWLE-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575180239 952416789 /nfs/dbraw/zinc/41/67/89/952416789.db2.gz UFVPWCSHBUIWLE-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575180230 952416931 /nfs/dbraw/zinc/41/69/31/952416931.db2.gz UEYDWFAXRPVXDW-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575180230 952416932 /nfs/dbraw/zinc/41/69/32/952416932.db2.gz UEYDWFAXRPVXDW-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575180898 952420289 /nfs/dbraw/zinc/42/02/89/952420289.db2.gz XGAQLBBIKZOXOJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575180898 952420292 /nfs/dbraw/zinc/42/02/92/952420292.db2.gz XGAQLBBIKZOXOJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001575184924 952425633 /nfs/dbraw/zinc/42/56/33/952425633.db2.gz HLXQWBRWLGULQF-QMMMGPOBSA-N -1 1 379.377 0.777 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575187953 952445374 /nfs/dbraw/zinc/44/53/74/952445374.db2.gz GAQHHNQYCDLWKS-LBPRGKRZSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575187953 952445377 /nfs/dbraw/zinc/44/53/77/952445377.db2.gz GAQHHNQYCDLWKS-LBPRGKRZSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575189341 952456207 /nfs/dbraw/zinc/45/62/07/952456207.db2.gz NMTLQROAMRQIQM-VXGBXAGGSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575189341 952456211 /nfs/dbraw/zinc/45/62/11/952456211.db2.gz NMTLQROAMRQIQM-VXGBXAGGSA-N -1 1 386.416 0.360 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](c2ncccn2)C1 ZINC001571114675 952459105 /nfs/dbraw/zinc/45/91/05/952459105.db2.gz LJZOAUKFLHWITB-SNVBAGLBSA-N -1 1 375.389 0.974 20 0 GCADMM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575191088 952466648 /nfs/dbraw/zinc/46/66/48/952466648.db2.gz WZNWUKOSDKLJIW-GFCCVEGCSA-N -1 1 384.419 0.967 20 0 GCADMM CN(C(=O)[C@@H]1CCC(=O)N1C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571116623 952475978 /nfs/dbraw/zinc/47/59/78/952475978.db2.gz AOLUIFCTLYXNNS-LBPRGKRZSA-N -1 1 375.458 0.192 20 0 GCADMM CCOc1nc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)co1 ZINC001571116657 952476958 /nfs/dbraw/zinc/47/69/58/952476958.db2.gz BLZMWTFLOCXQCX-UHFFFAOYSA-N -1 1 375.414 0.929 20 0 GCADMM Cc1nonc1C(=O)NC[C@@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571116863 952477720 /nfs/dbraw/zinc/47/77/20/952477720.db2.gz FCYNPLZVUJMCRO-VIFPVBQESA-N -1 1 375.418 0.722 20 0 GCADMM Cc1nsc(N2C[C@H]3CN(C(=O)[C@H]4CCCO4)C[C@H]3C2)c1-c1nn[n-]n1 ZINC001571117510 952482227 /nfs/dbraw/zinc/48/22/27/952482227.db2.gz LSLAGNISIWKJII-GRYCIOLGSA-N -1 1 375.458 0.705 20 0 GCADMM Cc1nsc(N2CC[C@](C)(NC(=O)[C@]34C[C@H]3COC4)C2)c1-c1nn[n-]n1 ZINC001571117582 952483373 /nfs/dbraw/zinc/48/33/73/952483373.db2.gz NKFOSUSEWJIEJL-HNHYXYPQSA-N -1 1 375.458 0.753 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575197413 952484389 /nfs/dbraw/zinc/48/43/89/952484389.db2.gz VOLIOKNEZKMFCM-AGIUHOORSA-N -1 1 380.412 0.918 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575197413 952484394 /nfs/dbraw/zinc/48/43/94/952484394.db2.gz VOLIOKNEZKMFCM-AGIUHOORSA-N -1 1 380.412 0.918 20 0 GCADMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC001571117807 952484824 /nfs/dbraw/zinc/48/48/24/952484824.db2.gz QVVDTNNMGOTXHC-BNKHSPDUSA-N -1 1 375.414 0.577 20 0 GCADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnns2)c1-c1nn[n-]n1 ZINC001571118065 952485490 /nfs/dbraw/zinc/48/54/90/952485490.db2.gz TYSPBOGNFWYBTD-MTBHXBHISA-N -1 1 375.443 0.348 20 0 GCADMM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571118668 952489330 /nfs/dbraw/zinc/48/93/30/952489330.db2.gz YIINDSSXMSBNDO-JTQLQIEISA-N -1 1 375.458 0.145 20 0 GCADMM O=C(CC1(O)CCCCC1)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571119479 952492083 /nfs/dbraw/zinc/49/20/83/952492083.db2.gz CBYSCQHOJFHMSH-UHFFFAOYSA-N -1 1 376.421 0.450 20 0 GCADMM O=C(CC1(O)CCCCC1)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571119479 952492084 /nfs/dbraw/zinc/49/20/84/952492084.db2.gz CBYSCQHOJFHMSH-UHFFFAOYSA-N -1 1 376.421 0.450 20 0 GCADMM O=C(N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1(F)CCOCC1 ZINC001571119580 952492845 /nfs/dbraw/zinc/49/28/45/952492845.db2.gz CZIIEAJTCAHHRZ-UHFFFAOYSA-N -1 1 376.396 0.000 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)[C@@]1(F)CCOC1 ZINC001571119996 952497053 /nfs/dbraw/zinc/49/70/53/952497053.db2.gz HPDHOXRVQSAMAT-GLKRBJQHSA-N -1 1 376.396 0.625 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)[C@@]1(F)CCOC1 ZINC001571119996 952497057 /nfs/dbraw/zinc/49/70/57/952497057.db2.gz HPDHOXRVQSAMAT-GLKRBJQHSA-N -1 1 376.396 0.625 20 0 GCADMM O=C1c2ccccc2CN1NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001571120146 952500640 /nfs/dbraw/zinc/50/06/40/952500640.db2.gz KBVGIWTYNQXPAH-UHFFFAOYSA-N -1 1 376.423 0.919 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571120531 952505715 /nfs/dbraw/zinc/50/57/15/952505715.db2.gz MZGPXOGVOSPITQ-WCQGTBRESA-N -1 1 376.371 0.882 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571120531 952505719 /nfs/dbraw/zinc/50/57/19/952505719.db2.gz MZGPXOGVOSPITQ-WCQGTBRESA-N -1 1 376.371 0.882 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(Cl)no1 ZINC001571120955 952511909 /nfs/dbraw/zinc/51/19/09/952511909.db2.gz SGGUZMHIGACETQ-YUMQZZPRSA-N -1 1 375.780 0.435 20 0 GCADMM CNC(=O)Cn1nc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1C ZINC001571121002 952513116 /nfs/dbraw/zinc/51/31/16/952513116.db2.gz UOTZSBFLIDEFSB-UHFFFAOYSA-N -1 1 376.327 0.648 20 0 GCADMM CNC(=O)Cn1nc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1C ZINC001571121002 952513122 /nfs/dbraw/zinc/51/31/22/952513122.db2.gz UOTZSBFLIDEFSB-UHFFFAOYSA-N -1 1 376.327 0.648 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575202587 952514030 /nfs/dbraw/zinc/51/40/30/952514030.db2.gz WCLJATBANVINLJ-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575202587 952514033 /nfs/dbraw/zinc/51/40/33/952514033.db2.gz WCLJATBANVINLJ-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001571121120 952514174 /nfs/dbraw/zinc/51/41/74/952514174.db2.gz WRZQENVWPVWPIE-VIFPVBQESA-N -1 1 376.398 0.221 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575202589 952514581 /nfs/dbraw/zinc/51/45/81/952514581.db2.gz WCLJATBANVINLJ-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575202589 952514585 /nfs/dbraw/zinc/51/45/85/952514585.db2.gz WCLJATBANVINLJ-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575203072 952518258 /nfs/dbraw/zinc/51/82/58/952518258.db2.gz ZMKBJLMWUKSPPR-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575203072 952518263 /nfs/dbraw/zinc/51/82/63/952518263.db2.gz ZMKBJLMWUKSPPR-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571122329 952524828 /nfs/dbraw/zinc/52/48/28/952524828.db2.gz IRPMZGGYSQZYIY-PSLIRLAXSA-N -1 1 376.446 0.313 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575205517 952525285 /nfs/dbraw/zinc/52/52/85/952525285.db2.gz AQMPCDFBQJEQJS-WCFLWFBJSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575205517 952525289 /nfs/dbraw/zinc/52/52/89/952525289.db2.gz AQMPCDFBQJEQJS-WCFLWFBJSA-N -1 1 382.432 0.328 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)c1-c1nn[n-]n1 ZINC001571124126 952533987 /nfs/dbraw/zinc/53/39/87/952533987.db2.gz ZIMYDOOOTPBWQV-ZJUUUORDSA-N -1 1 376.446 0.171 20 0 GCADMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571124289 952536437 /nfs/dbraw/zinc/53/64/37/952536437.db2.gz DOTGVLKNIFUTSS-QGZVFWFLSA-N -1 1 377.408 0.851 20 0 GCADMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571124289 952536442 /nfs/dbraw/zinc/53/64/42/952536442.db2.gz DOTGVLKNIFUTSS-QGZVFWFLSA-N -1 1 377.408 0.851 20 0 GCADMM O=C(c1ocnc1C(F)F)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571125024 952546711 /nfs/dbraw/zinc/54/67/11/952546711.db2.gz YLKJKOPFKVVKTD-ZETCQYMHSA-N -1 1 377.315 0.909 20 0 GCADMM O=C(c1ocnc1C(F)F)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571125024 952546713 /nfs/dbraw/zinc/54/67/13/952546713.db2.gz YLKJKOPFKVVKTD-ZETCQYMHSA-N -1 1 377.315 0.909 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)c1ccccn1 ZINC001571126966 952547916 /nfs/dbraw/zinc/54/79/16/952547916.db2.gz AVGBCJICCZAOKQ-AVGNSLFASA-N -1 1 377.412 0.839 20 0 GCADMM Cc1ncccc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571127005 952549348 /nfs/dbraw/zinc/54/93/48/952549348.db2.gz BZZPFKRALMZXGW-KBPBESRZSA-N -1 1 377.412 0.392 20 0 GCADMM Cc1ncccc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571127005 952549351 /nfs/dbraw/zinc/54/93/51/952549351.db2.gz BZZPFKRALMZXGW-KBPBESRZSA-N -1 1 377.412 0.392 20 0 GCADMM Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571127016 952549377 /nfs/dbraw/zinc/54/93/77/952549377.db2.gz CODGHPKXTZMTHB-XBFCOCLRSA-N -1 1 377.412 0.900 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2cccnc21 ZINC001571127283 952552719 /nfs/dbraw/zinc/55/27/19/952552719.db2.gz ILAXEOQWNMHOKN-STQMWFEESA-N -1 1 377.412 0.477 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2cccnc21 ZINC001571127281 952552912 /nfs/dbraw/zinc/55/29/12/952552912.db2.gz ILAXEOQWNMHOKN-QWHCGFSZSA-N -1 1 377.412 0.477 20 0 GCADMM CC[C@@H](OC)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571127401 952555600 /nfs/dbraw/zinc/55/56/00/952555600.db2.gz GJPUABPBTONVHN-GRYCIOLGSA-N -1 1 377.474 0.951 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571127830 952560453 /nfs/dbraw/zinc/56/04/53/952560453.db2.gz OJOAIIDIFXMPJX-LSDHHAIUSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571127830 952560457 /nfs/dbraw/zinc/56/04/57/952560457.db2.gz OJOAIIDIFXMPJX-LSDHHAIUSA-N -1 1 377.412 0.935 20 0 GCADMM C[C@]12C[N@H+](C[C@@H](O)c3cccc(-c4nn[nH]n4)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001571127903 952562035 /nfs/dbraw/zinc/56/20/35/952562035.db2.gz MGSOFNCVCNPULQ-OIISXLGYSA-N -1 1 377.470 0.657 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001575214175 952562506 /nfs/dbraw/zinc/56/25/06/952562506.db2.gz JWMCQAAABHDNBH-ZJUUUORDSA-N -1 1 382.375 0.004 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001575214175 952562508 /nfs/dbraw/zinc/56/25/08/952562508.db2.gz JWMCQAAABHDNBH-ZJUUUORDSA-N -1 1 382.375 0.004 20 0 GCADMM O=C(c1ccncc1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571128150 952565168 /nfs/dbraw/zinc/56/51/68/952565168.db2.gz PBDCQTGPQLXZMO-UONOGXRCSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccccn1 ZINC001571128970 952571804 /nfs/dbraw/zinc/57/18/04/952571804.db2.gz YJWULDRSCFRNFE-KDOFPFPSSA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccccn1 ZINC001571128970 952571807 /nfs/dbraw/zinc/57/18/07/952571807.db2.gz YJWULDRSCFRNFE-KDOFPFPSSA-N -1 1 377.412 0.983 20 0 GCADMM CC1(C)CN(C(=O)C2(C(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571129660 952576204 /nfs/dbraw/zinc/57/62/04/952576204.db2.gz HCLFRJHBXXYQLY-VIFPVBQESA-N -1 1 378.387 0.773 20 0 GCADMM COc1cc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccn1 ZINC001571129936 952577461 /nfs/dbraw/zinc/57/74/61/952577461.db2.gz LPVKWSRLTNMPFN-UHFFFAOYSA-N -1 1 378.389 0.930 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCC1(F)F ZINC001571130527 952580622 /nfs/dbraw/zinc/58/06/22/952580622.db2.gz SJTNCRVKWLTWHC-GMTAPVOTSA-N -1 1 378.387 0.963 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001571130697 952581406 /nfs/dbraw/zinc/58/14/06/952581406.db2.gz UQTUWKCOOUUGCA-MWLCHTKSSA-N -1 1 378.387 0.773 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001571130698 952581782 /nfs/dbraw/zinc/58/17/82/952581782.db2.gz UQTUWKCOOUUGCA-ONGXEEELSA-N -1 1 378.387 0.773 20 0 GCADMM Cc1ccc(C)c(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134095 952585653 /nfs/dbraw/zinc/58/56/53/952585653.db2.gz DOAXBCGJYOBROQ-HNNXBMFYSA-N -1 1 378.440 0.951 20 0 GCADMM CCOC(=O)[C@](C)(CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC001571134739 952594734 /nfs/dbraw/zinc/59/47/34/952594734.db2.gz KVBLRJZFOAMNPP-BZNIZROVSA-N -1 1 378.437 0.751 20 0 GCADMM O=C(c1cnccn1)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135696 952607946 /nfs/dbraw/zinc/60/79/46/952607946.db2.gz BGWUKKCGIXSSHK-BXUZGUMPSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1cnccn1)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135696 952607948 /nfs/dbraw/zinc/60/79/48/952607948.db2.gz BGWUKKCGIXSSHK-BXUZGUMPSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1cccnn1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571135812 952609214 /nfs/dbraw/zinc/60/92/14/952609214.db2.gz FGLRFQRLCNFHMP-NEPJUHHUSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)c1cncnc1 ZINC001571135856 952609657 /nfs/dbraw/zinc/60/96/57/952609657.db2.gz GJGZZBDUGBIZHU-UHTWSYAYSA-N -1 1 378.400 0.234 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)c1cncnc1 ZINC001571135856 952609662 /nfs/dbraw/zinc/60/96/62/952609662.db2.gz GJGZZBDUGBIZHU-UHTWSYAYSA-N -1 1 378.400 0.234 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1c[nH]nc1C1CC1 ZINC001571135906 952610302 /nfs/dbraw/zinc/61/03/02/952610302.db2.gz HNKXKZZGIXAJTA-YABSGUDNSA-N -1 1 378.400 0.122 20 0 GCADMM CC(C)c1nc([C@H](CO)Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cs1 ZINC001571135901 952610346 /nfs/dbraw/zinc/61/03/46/952610346.db2.gz HJIHOMJNEKUGFJ-ZETCQYMHSA-N -1 1 378.418 0.391 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)[C@@H](F)C(C)C)CCO2)n1 ZINC001571135941 952611374 /nfs/dbraw/zinc/61/13/74/952611374.db2.gz IQIOIALHKLCRDF-YPMHNXCESA-N -1 1 378.412 0.599 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)[C@@H](F)C(C)C)CCO2)n1 ZINC001571135941 952611377 /nfs/dbraw/zinc/61/13/77/952611377.db2.gz IQIOIALHKLCRDF-YPMHNXCESA-N -1 1 378.412 0.599 20 0 GCADMM O=C(c1cncnc1)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571136168 952613014 /nfs/dbraw/zinc/61/30/14/952613014.db2.gz NSJUZTCKIGALDM-KRWDZBQOSA-N -1 1 378.400 0.189 20 0 GCADMM O=C(c1cncnc1)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571136168 952613016 /nfs/dbraw/zinc/61/30/16/952613016.db2.gz NSJUZTCKIGALDM-KRWDZBQOSA-N -1 1 378.400 0.189 20 0 GCADMM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nnn[n-]3)n2)nn1 ZINC001571136407 952614413 /nfs/dbraw/zinc/61/44/13/952614413.db2.gz PLGKTSWRCZNDNK-RYUDHWBXSA-N -1 1 378.400 0.167 20 0 GCADMM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nn[n-]n3)n2)nn1 ZINC001571136407 952614415 /nfs/dbraw/zinc/61/44/15/952614415.db2.gz PLGKTSWRCZNDNK-RYUDHWBXSA-N -1 1 378.400 0.167 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1ncccn1 ZINC001571136583 952614870 /nfs/dbraw/zinc/61/48/70/952614870.db2.gz RPLOVMLUJGSDCC-SJCJKPOMSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1ncccn1 ZINC001571136583 952614874 /nfs/dbraw/zinc/61/48/74/952614874.db2.gz RPLOVMLUJGSDCC-SJCJKPOMSA-N -1 1 378.400 0.378 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571136788 952615983 /nfs/dbraw/zinc/61/59/83/952615983.db2.gz VZYKYZZUNIRZNQ-SMDDNHRTSA-N -1 1 378.400 0.106 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571136788 952615991 /nfs/dbraw/zinc/61/59/91/952615991.db2.gz VZYKYZZUNIRZNQ-SMDDNHRTSA-N -1 1 378.400 0.106 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571136789 952616199 /nfs/dbraw/zinc/61/61/99/952616199.db2.gz WARCBNDGTUJBRR-NEPJUHHUSA-N -1 1 378.412 0.680 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571136789 952616203 /nfs/dbraw/zinc/61/62/03/952616203.db2.gz WARCBNDGTUJBRR-NEPJUHHUSA-N -1 1 378.412 0.680 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccnc(C2CC2)n1 ZINC001571137013 952618374 /nfs/dbraw/zinc/61/83/74/952618374.db2.gz ZNHQWMIYTOJAFF-NSHDSACASA-N -1 1 378.400 0.333 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccnc(C2CC2)n1 ZINC001571137013 952618378 /nfs/dbraw/zinc/61/83/78/952618378.db2.gz ZNHQWMIYTOJAFF-NSHDSACASA-N -1 1 378.400 0.333 20 0 GCADMM NC(=O)c1cccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571139447 952620244 /nfs/dbraw/zinc/62/02/44/952620244.db2.gz HTNYWFWTKCBXJG-LBPRGKRZSA-N -1 1 379.384 0.082 20 0 GCADMM NC(=O)c1cccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571139447 952620248 /nfs/dbraw/zinc/62/02/48/952620248.db2.gz HTNYWFWTKCBXJG-LBPRGKRZSA-N -1 1 379.384 0.082 20 0 GCADMM NC(=O)COc1cccc2c1CCCN2C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001571139559 952620254 /nfs/dbraw/zinc/62/02/54/952620254.db2.gz HYQVTBGPBVZTQB-UHFFFAOYSA-N -1 1 379.380 0.719 20 0 GCADMM NC(=O)COc1cccc2c1CCCN2C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001571139559 952620256 /nfs/dbraw/zinc/62/02/56/952620256.db2.gz HYQVTBGPBVZTQB-UHFFFAOYSA-N -1 1 379.380 0.719 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1coc(C2CC2)n1 ZINC001571140878 952629538 /nfs/dbraw/zinc/62/95/38/952629538.db2.gz UZHURTWXANBDST-MSRIBSCDSA-N -1 1 379.384 0.387 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1coc(C2CC2)n1 ZINC001571140878 952629540 /nfs/dbraw/zinc/62/95/40/952629540.db2.gz UZHURTWXANBDST-MSRIBSCDSA-N -1 1 379.384 0.387 20 0 GCADMM NC(=O)c1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571141343 952633718 /nfs/dbraw/zinc/63/37/18/952633718.db2.gz XOJQXWGRTHUPDV-LBPRGKRZSA-N -1 1 379.384 0.082 20 0 GCADMM NC(=O)c1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571141343 952633719 /nfs/dbraw/zinc/63/37/19/952633719.db2.gz XOJQXWGRTHUPDV-LBPRGKRZSA-N -1 1 379.384 0.082 20 0 GCADMM Cc1[nH]nc(NC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)c1-c1nn[n-]n1 ZINC001571141631 952634648 /nfs/dbraw/zinc/63/46/48/952634648.db2.gz XVTHLVNCMNGAJB-RITPCOANSA-N -1 1 379.324 0.060 20 0 GCADMM O=S(=O)(CCNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCOCC1 ZINC001571142474 952642019 /nfs/dbraw/zinc/64/20/19/952642019.db2.gz QRDMZUKGWYQWFF-UHFFFAOYSA-N -1 1 378.867 0.982 20 0 GCADMM O=S(=O)(CCNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCOCC1 ZINC001571142474 952642024 /nfs/dbraw/zinc/64/20/24/952642024.db2.gz QRDMZUKGWYQWFF-UHFFFAOYSA-N -1 1 378.867 0.982 20 0 GCADMM Cn1cccc1C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571146750 952651929 /nfs/dbraw/zinc/65/19/29/952651929.db2.gz MMGSWYRPMHUNDI-STQMWFEESA-N -1 1 379.428 0.736 20 0 GCADMM Cn1cccc1C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571146750 952651933 /nfs/dbraw/zinc/65/19/33/952651933.db2.gz MMGSWYRPMHUNDI-STQMWFEESA-N -1 1 379.428 0.736 20 0 GCADMM Cn1cccc1C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571146747 952652344 /nfs/dbraw/zinc/65/23/44/952652344.db2.gz MMGSWYRPMHUNDI-OLZOCXBDSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1cccc1C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571146747 952652345 /nfs/dbraw/zinc/65/23/45/952652345.db2.gz MMGSWYRPMHUNDI-OLZOCXBDSA-N -1 1 379.428 0.736 20 0 GCADMM CCc1cccc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571146948 952655272 /nfs/dbraw/zinc/65/52/72/952655272.db2.gz DLSCWCVTKPKCOF-SMDDNHRTSA-N -1 1 379.428 0.609 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571146967 952655683 /nfs/dbraw/zinc/65/56/83/952655683.db2.gz DXWHVIAVICAXQH-OCCSQVGLSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571146967 952655685 /nfs/dbraw/zinc/65/56/85/952655685.db2.gz DXWHVIAVICAXQH-OCCSQVGLSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001571147120 952658050 /nfs/dbraw/zinc/65/80/50/952658050.db2.gz GSOLPCCUQOLNOW-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571147120 952658053 /nfs/dbraw/zinc/65/80/53/952658053.db2.gz GSOLPCCUQOLNOW-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cc2cccnc2)C1 ZINC001571147349 952660489 /nfs/dbraw/zinc/66/04/89/952660489.db2.gz KVWSDEFMPLQJMA-SFHVURJKSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cc2cccnc2)C1 ZINC001571147349 952660493 /nfs/dbraw/zinc/66/04/93/952660493.db2.gz KVWSDEFMPLQJMA-SFHVURJKSA-N -1 1 379.428 0.945 20 0 GCADMM CCc1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001571148031 952665461 /nfs/dbraw/zinc/66/54/61/952665461.db2.gz TXZBQNOCFLHCNR-CQSZACIVSA-N -1 1 379.428 0.870 20 0 GCADMM CCc1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001571148031 952665464 /nfs/dbraw/zinc/66/54/64/952665464.db2.gz TXZBQNOCFLHCNR-CQSZACIVSA-N -1 1 379.428 0.870 20 0 GCADMM CN(CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001571148273 952666333 /nfs/dbraw/zinc/66/63/33/952666333.db2.gz XVODXZRLLJBMPJ-UHFFFAOYSA-N -1 1 379.428 0.442 20 0 GCADMM CN(CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001571148273 952666335 /nfs/dbraw/zinc/66/63/35/952666335.db2.gz XVODXZRLLJBMPJ-UHFFFAOYSA-N -1 1 379.428 0.442 20 0 GCADMM CCc1ccc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571148268 952666568 /nfs/dbraw/zinc/66/65/68/952666568.db2.gz XLPHJYCURAROIP-AWEZNQCLSA-N -1 1 379.428 0.292 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(C)c(C)n3)C2)n1 ZINC001571148415 952667156 /nfs/dbraw/zinc/66/71/56/952667156.db2.gz YYSAUJFWZGRXNM-ZDUSSCGKSA-N -1 1 379.428 0.986 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(C)c(C)n3)C2)n1 ZINC001571148415 952667158 /nfs/dbraw/zinc/66/71/58/952667158.db2.gz YYSAUJFWZGRXNM-ZDUSSCGKSA-N -1 1 379.428 0.986 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001571148449 952667242 /nfs/dbraw/zinc/66/72/42/952667242.db2.gz ZSENZBHKUPDNIB-RDBSUJKOSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001571148449 952667243 /nfs/dbraw/zinc/66/72/43/952667243.db2.gz ZSENZBHKUPDNIB-RDBSUJKOSA-N -1 1 379.428 0.899 20 0 GCADMM Cc1nsc(N2CCC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571151845 952678764 /nfs/dbraw/zinc/67/87/64/952678764.db2.gz YZCLHJMTLFDLDL-MNOVXSKESA-N -1 1 379.446 0.132 20 0 GCADMM Cn1cnc(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)c1 ZINC001571152057 952681110 /nfs/dbraw/zinc/68/11/10/952681110.db2.gz CCKVNQTWKGXMSS-UHFFFAOYSA-N -1 1 379.837 0.673 20 0 GCADMM Cn1cnc(C(=O)N2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)c1 ZINC001571152057 952681117 /nfs/dbraw/zinc/68/11/17/952681117.db2.gz CCKVNQTWKGXMSS-UHFFFAOYSA-N -1 1 379.837 0.673 20 0 GCADMM C[C@@H](C(=O)Nc1cccc(F)c1S(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001571153572 952686257 /nfs/dbraw/zinc/68/62/57/952686257.db2.gz QWVIWUFINHMVAP-ZETCQYMHSA-N -1 1 380.365 0.201 20 0 GCADMM COCc1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571154857 952690306 /nfs/dbraw/zinc/69/03/06/952690306.db2.gz CMBYVPWPESHWJR-CYBMUJFWSA-N -1 1 380.412 0.812 20 0 GCADMM COCc1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571154857 952690307 /nfs/dbraw/zinc/69/03/07/952690307.db2.gz CMBYVPWPESHWJR-CYBMUJFWSA-N -1 1 380.412 0.812 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c(F)c1 ZINC001571155194 952693920 /nfs/dbraw/zinc/69/39/20/952693920.db2.gz KLVZYRNMVGPCNK-JYAVWHMHSA-N -1 1 380.387 0.969 20 0 GCADMM COc1ccc([C@@]2(C(=O)NCc3ccnc(-c4nnn[n-]4)c3)C[C@@H](O)C2)cc1 ZINC001571155450 952696529 /nfs/dbraw/zinc/69/65/29/952696529.db2.gz SICSROHQYSACAI-QUWSVYMGSA-N -1 1 380.408 0.979 20 0 GCADMM COc1ccc([C@@]2(C(=O)NCc3ccnc(-c4nn[n-]n4)c3)C[C@@H](O)C2)cc1 ZINC001571155450 952696532 /nfs/dbraw/zinc/69/65/32/952696532.db2.gz SICSROHQYSACAI-QUWSVYMGSA-N -1 1 380.408 0.979 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571156703 952703523 /nfs/dbraw/zinc/70/35/23/952703523.db2.gz HIFIOFYTUQOGEF-CYBMUJFWSA-N -1 1 379.428 0.665 20 0 GCADMM Cc1cc[nH]c1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571156818 952705437 /nfs/dbraw/zinc/70/54/37/952705437.db2.gz KOBQBKXFUXADSD-XIKOKIGWSA-N -1 1 379.428 0.892 20 0 GCADMM Cc1ccncc1CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571157263 952706686 /nfs/dbraw/zinc/70/66/86/952706686.db2.gz OGGNSHUZOHHGDK-UHFFFAOYSA-N -1 1 379.428 0.910 20 0 GCADMM Cc1ccncc1CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571157263 952706691 /nfs/dbraw/zinc/70/66/91/952706691.db2.gz OGGNSHUZOHHGDK-UHFFFAOYSA-N -1 1 379.428 0.910 20 0 GCADMM Cc1ccncc1CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571157187 952706922 /nfs/dbraw/zinc/70/69/22/952706922.db2.gz NFZDDEACNRHLSF-ZDUSSCGKSA-N -1 1 379.428 0.285 20 0 GCADMM Cc1ccncc1CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571157183 952707235 /nfs/dbraw/zinc/70/72/35/952707235.db2.gz NFZDDEACNRHLSF-CYBMUJFWSA-N -1 1 379.428 0.285 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)cc1 ZINC001571157938 952708916 /nfs/dbraw/zinc/70/89/16/952708916.db2.gz DAWGJQNYSVAHMM-ZFWWWQNUSA-N -1 1 380.412 0.335 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)cc1 ZINC001571157938 952708919 /nfs/dbraw/zinc/70/89/19/952708919.db2.gz DAWGJQNYSVAHMM-ZFWWWQNUSA-N -1 1 380.412 0.335 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158132 952709794 /nfs/dbraw/zinc/70/97/94/952709794.db2.gz RUCRJLWHLZDTBE-SFHVURJKSA-N -1 1 379.428 0.746 20 0 GCADMM Cc1ccccc1C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571158236 952710324 /nfs/dbraw/zinc/71/03/24/952710324.db2.gz FNMDYKGZTYCAKV-CYBMUJFWSA-N -1 1 380.412 0.918 20 0 GCADMM Cc1ccccc1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571158236 952710328 /nfs/dbraw/zinc/71/03/28/952710328.db2.gz FNMDYKGZTYCAKV-CYBMUJFWSA-N -1 1 380.412 0.918 20 0 GCADMM COc1cc(C)ccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571158289 952711378 /nfs/dbraw/zinc/71/13/78/952711378.db2.gz GGHOIJYHFXNBNI-LBPRGKRZSA-N -1 1 380.412 0.982 20 0 GCADMM COc1cc(C)ccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571158289 952711381 /nfs/dbraw/zinc/71/13/81/952711381.db2.gz GGHOIJYHFXNBNI-LBPRGKRZSA-N -1 1 380.412 0.982 20 0 GCADMM COc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cc1 ZINC001571158518 952712148 /nfs/dbraw/zinc/71/21/48/952712148.db2.gz KGCMMCRFPXMCFP-SMDDNHRTSA-N -1 1 380.412 0.802 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)cc1C ZINC001571158711 952713819 /nfs/dbraw/zinc/71/38/19/952713819.db2.gz NEENLCVSMLSWAL-ZIAGYGMSSA-N -1 1 380.412 0.253 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571158872 952714727 /nfs/dbraw/zinc/71/47/27/952714727.db2.gz SUQYPQGZGGZMBK-CQSZACIVSA-N -1 1 379.428 0.606 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158872 952714730 /nfs/dbraw/zinc/71/47/30/952714730.db2.gz SUQYPQGZGGZMBK-CQSZACIVSA-N -1 1 379.428 0.606 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001571159362 952718982 /nfs/dbraw/zinc/71/89/82/952718982.db2.gz VLUIMOBTHDXTIT-DGCLKSJQSA-N -1 1 380.412 0.802 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC001571159500 952719572 /nfs/dbraw/zinc/71/95/72/952719572.db2.gz WOWZFBVMKNFIFI-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1C ZINC001571159500 952719577 /nfs/dbraw/zinc/71/95/77/952719577.db2.gz WOWZFBVMKNFIFI-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM Cc1ccncc1C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571159628 952720614 /nfs/dbraw/zinc/72/06/14/952720614.db2.gz VELSMILZCSQLDO-STQMWFEESA-N -1 1 379.428 0.793 20 0 GCADMM Cc1cc(C)cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)c1 ZINC001571159654 952721257 /nfs/dbraw/zinc/72/12/57/952721257.db2.gz YLSDDPAYLKAYMB-KGLIPLIRSA-N -1 1 380.412 0.253 20 0 GCADMM Cc1cc(C)cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)c1 ZINC001571159654 952721259 /nfs/dbraw/zinc/72/12/59/952721259.db2.gz YLSDDPAYLKAYMB-KGLIPLIRSA-N -1 1 380.412 0.253 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1occ2c1CCC2 ZINC001571160025 952722684 /nfs/dbraw/zinc/72/26/84/952722684.db2.gz BDOSADVPVWDGFR-LLVKDONJSA-N -1 1 380.412 0.995 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1occ2c1CCC2 ZINC001571160025 952722688 /nfs/dbraw/zinc/72/26/88/952722688.db2.gz BDOSADVPVWDGFR-LLVKDONJSA-N -1 1 380.412 0.995 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cc(C)n1 ZINC001571160357 952726193 /nfs/dbraw/zinc/72/61/93/952726193.db2.gz ZJSJSQZRLBIJAL-MEBBXXQBSA-N -1 1 379.428 0.923 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cc(C)n1 ZINC001571160357 952726196 /nfs/dbraw/zinc/72/61/96/952726196.db2.gz ZJSJSQZRLBIJAL-MEBBXXQBSA-N -1 1 379.428 0.923 20 0 GCADMM O=C(c1ccccc1)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571160779 952728250 /nfs/dbraw/zinc/72/82/50/952728250.db2.gz LZELRAIUQYFXCS-UHFFFAOYSA-N -1 1 380.412 0.736 20 0 GCADMM O=C(c1ccccc1)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571160779 952728253 /nfs/dbraw/zinc/72/82/53/952728253.db2.gz LZELRAIUQYFXCS-UHFFFAOYSA-N -1 1 380.412 0.736 20 0 GCADMM O=C(Cc1ccoc1)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571161262 952731493 /nfs/dbraw/zinc/73/14/93/952731493.db2.gz TUSQZALKABAFSE-KGLIPLIRSA-N -1 1 380.412 0.777 20 0 GCADMM O=C(Cc1ccco1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571161470 952733057 /nfs/dbraw/zinc/73/30/57/952733057.db2.gz WPRURDCOFJBPCU-XQQFMLRXSA-N -1 1 380.412 0.966 20 0 GCADMM O=C(Cc1ccco1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571161470 952733062 /nfs/dbraw/zinc/73/30/62/952733062.db2.gz WPRURDCOFJBPCU-XQQFMLRXSA-N -1 1 380.412 0.966 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)nn1 ZINC001571161859 952734917 /nfs/dbraw/zinc/73/49/17/952734917.db2.gz CJPDRRAWOFMEFI-GFCCVEGCSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)nn1 ZINC001571161859 952734921 /nfs/dbraw/zinc/73/49/21/952734921.db2.gz CJPDRRAWOFMEFI-GFCCVEGCSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1cc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)c(C)nn1 ZINC001571161847 952735655 /nfs/dbraw/zinc/73/56/55/952735655.db2.gz CCMNYXOOAWWCHP-UHFFFAOYSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1cc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)c(C)nn1 ZINC001571161847 952735658 /nfs/dbraw/zinc/73/56/58/952735658.db2.gz CCMNYXOOAWWCHP-UHFFFAOYSA-N -1 1 380.416 0.684 20 0 GCADMM CCn1ccnc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571161848 952735678 /nfs/dbraw/zinc/73/56/78/952735678.db2.gz CDANSVWRIVEYJI-TXEJJXNPSA-N -1 1 380.416 0.367 20 0 GCADMM CCn1ccnc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571161848 952735681 /nfs/dbraw/zinc/73/56/81/952735681.db2.gz CDANSVWRIVEYJI-TXEJJXNPSA-N -1 1 380.416 0.367 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)[nH]n1 ZINC001571161809 952735757 /nfs/dbraw/zinc/73/57/57/952735757.db2.gz BDQMCLKPIQDAPN-CHWSQXEVSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)[nH]n1 ZINC001571161809 952735761 /nfs/dbraw/zinc/73/57/61/952735761.db2.gz BDQMCLKPIQDAPN-CHWSQXEVSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571161904 952736110 /nfs/dbraw/zinc/73/61/10/952736110.db2.gz DQLLZJXUHQQKHN-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571161904 952736114 /nfs/dbraw/zinc/73/61/14/952736114.db2.gz DQLLZJXUHQQKHN-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC[C@H](CNC(=O)c3ncccn3)C2)n1 ZINC001571161924 952736290 /nfs/dbraw/zinc/73/62/90/952736290.db2.gz FGABALRLCNSQEQ-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@H](CNC(=O)c3ncccn3)C2)n1 ZINC001571161924 952736291 /nfs/dbraw/zinc/73/62/91/952736291.db2.gz FGABALRLCNSQEQ-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571161955 952736307 /nfs/dbraw/zinc/73/63/07/952736307.db2.gz GDFKFRFYADGVLZ-HAQNSBGRSA-N -1 1 380.416 0.491 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571161955 952736310 /nfs/dbraw/zinc/73/63/10/952736310.db2.gz GDFKFRFYADGVLZ-HAQNSBGRSA-N -1 1 380.416 0.491 20 0 GCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571161913 952736682 /nfs/dbraw/zinc/73/66/82/952736682.db2.gz DXESBALNKZRRNV-NWDGAFQWSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571161913 952736685 /nfs/dbraw/zinc/73/66/85/952736685.db2.gz DXESBALNKZRRNV-NWDGAFQWSA-N -1 1 380.416 0.800 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)cn1 ZINC001571161968 952737049 /nfs/dbraw/zinc/73/70/49/952737049.db2.gz GOESIQYFKBKOAT-ZDUSSCGKSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)cn1 ZINC001571161968 952737056 /nfs/dbraw/zinc/73/70/56/952737056.db2.gz GOESIQYFKBKOAT-ZDUSSCGKSA-N -1 1 380.416 0.718 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571161961 952737811 /nfs/dbraw/zinc/73/78/11/952737811.db2.gz GINUOQMDNJPASQ-BXUZGUMPSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571161961 952737815 /nfs/dbraw/zinc/73/78/15/952737815.db2.gz GINUOQMDNJPASQ-BXUZGUMPSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1n[nH]c2c1CCC2 ZINC001571162000 952737865 /nfs/dbraw/zinc/73/78/65/952737865.db2.gz HDUKQYTXOPHLJQ-ZJUUUORDSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1n[nH]c2c1CCC2 ZINC001571162000 952737875 /nfs/dbraw/zinc/73/78/75/952737875.db2.gz HDUKQYTXOPHLJQ-ZJUUUORDSA-N -1 1 380.416 0.584 20 0 GCADMM CCN(C(=O)c1nccc(C)n1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571162057 952738263 /nfs/dbraw/zinc/73/82/63/952738263.db2.gz IWYXKDOEPHMTDU-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1nccc(C)n1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571162057 952738267 /nfs/dbraw/zinc/73/82/67/952738267.db2.gz IWYXKDOEPHMTDU-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1nccc(C)n1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571162058 952738357 /nfs/dbraw/zinc/73/83/57/952738357.db2.gz IWYXKDOEPHMTDU-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1nccc(C)n1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571162058 952738358 /nfs/dbraw/zinc/73/83/58/952738358.db2.gz IWYXKDOEPHMTDU-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571162107 952738445 /nfs/dbraw/zinc/73/84/45/952738445.db2.gz KHJXXMVJDKTLQB-RNCFNFMXSA-N -1 1 380.416 0.830 20 0 GCADMM C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571162107 952738449 /nfs/dbraw/zinc/73/84/49/952738449.db2.gz KHJXXMVJDKTLQB-RNCFNFMXSA-N -1 1 380.416 0.830 20 0 GCADMM CN(CC1CCN(C(=O)c2cccnn2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571162074 952738805 /nfs/dbraw/zinc/73/88/05/952738805.db2.gz JGRBUFLKVYUYHG-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM CN(CC1CCN(C(=O)c2cccnn2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571162074 952738807 /nfs/dbraw/zinc/73/88/07/952738807.db2.gz JGRBUFLKVYUYHG-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571162138 952739786 /nfs/dbraw/zinc/73/97/86/952739786.db2.gz LSCPEFJJRPQKAY-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571162138 952739790 /nfs/dbraw/zinc/73/97/90/952739790.db2.gz LSCPEFJJRPQKAY-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2C)n1 ZINC001571162198 952739960 /nfs/dbraw/zinc/73/99/60/952739960.db2.gz NOQUPVVGBGJVJN-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2C)n1 ZINC001571162198 952739964 /nfs/dbraw/zinc/73/99/64/952739964.db2.gz NOQUPVVGBGJVJN-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571162137 952740050 /nfs/dbraw/zinc/74/00/50/952740050.db2.gz LSCPEFJJRPQKAY-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571162137 952740054 /nfs/dbraw/zinc/74/00/54/952740054.db2.gz LSCPEFJJRPQKAY-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c1C ZINC001571162121 952740062 /nfs/dbraw/zinc/74/00/62/952740062.db2.gz KWPPSVBXHSKQMD-JYAVWHMHSA-N -1 1 380.416 0.046 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c1C ZINC001571162121 952740065 /nfs/dbraw/zinc/74/00/65/952740065.db2.gz KWPPSVBXHSKQMD-JYAVWHMHSA-N -1 1 380.416 0.046 20 0 GCADMM O=C1NC[C@H](O)CC12CCN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC001571162218 952740619 /nfs/dbraw/zinc/74/06/19/952740619.db2.gz OBFGTEQJLQGVST-LLVKDONJSA-N -1 1 380.412 0.277 20 0 GCADMM O=C1NC[C@H](O)CC12CCN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC001571162218 952740625 /nfs/dbraw/zinc/74/06/25/952740625.db2.gz OBFGTEQJLQGVST-LLVKDONJSA-N -1 1 380.412 0.277 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)n1 ZINC001571162325 952741794 /nfs/dbraw/zinc/74/17/94/952741794.db2.gz QJWDPSYYPBVRQR-SJCJKPOMSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@]23CCC[C@@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)n1 ZINC001571162325 952741797 /nfs/dbraw/zinc/74/17/97/952741797.db2.gz QJWDPSYYPBVRQR-SJCJKPOMSA-N -1 1 380.416 0.620 20 0 GCADMM C[C@@]1(NC(=O)c2cnn3c2CCC3)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162288 952741851 /nfs/dbraw/zinc/74/18/51/952741851.db2.gz PQEMDOFTCLTXAK-QGZVFWFLSA-N -1 1 380.416 0.198 20 0 GCADMM C[C@@]1(NC(=O)c2cnn3c2CCC3)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162288 952741853 /nfs/dbraw/zinc/74/18/53/952741853.db2.gz PQEMDOFTCLTXAK-QGZVFWFLSA-N -1 1 380.416 0.198 20 0 GCADMM Cc1c[nH]c(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)n1 ZINC001571162385 952743088 /nfs/dbraw/zinc/74/30/88/952743088.db2.gz SKLSILKNMQHXPS-DIFFPNOSSA-N -1 1 380.416 0.287 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001571162386 952743162 /nfs/dbraw/zinc/74/31/62/952743162.db2.gz SMNRACFWCPVWBG-PJXYFTJBSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001571162386 952743167 /nfs/dbraw/zinc/74/31/67/952743167.db2.gz SMNRACFWCPVWBG-PJXYFTJBSA-N -1 1 380.416 0.299 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)c1cccnn1 ZINC001571162429 952743523 /nfs/dbraw/zinc/74/35/23/952743523.db2.gz UFMNQZJZQXJUGE-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)c1cccnn1 ZINC001571162429 952743527 /nfs/dbraw/zinc/74/35/27/952743527.db2.gz UFMNQZJZQXJUGE-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1c[nH]nc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571162471 952744556 /nfs/dbraw/zinc/74/45/56/952744556.db2.gz VDLAMKQGOTXMQO-TXEJJXNPSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1c[nH]nc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571162471 952744559 /nfs/dbraw/zinc/74/45/59/952744559.db2.gz VDLAMKQGOTXMQO-TXEJJXNPSA-N -1 1 380.416 0.572 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC001571162477 952744618 /nfs/dbraw/zinc/74/46/18/952744618.db2.gz VEJDWWMAVRXWTG-LLVKDONJSA-N -1 1 380.416 0.608 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC001571162477 952744620 /nfs/dbraw/zinc/74/46/20/952744620.db2.gz VEJDWWMAVRXWTG-LLVKDONJSA-N -1 1 380.416 0.608 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)c1cnccn1 ZINC001571162597 952744641 /nfs/dbraw/zinc/74/46/41/952744641.db2.gz WAGGWTJMIZNMKN-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)c1cnccn1 ZINC001571162597 952744644 /nfs/dbraw/zinc/74/46/44/952744644.db2.gz WAGGWTJMIZNMKN-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM CCc1c(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)cnn1C ZINC001571162622 952744894 /nfs/dbraw/zinc/74/48/94/952744894.db2.gz WJWZQFDUGNNCDV-QWRGUYRKSA-N -1 1 380.416 0.056 20 0 GCADMM CCc1c(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)cnn1C ZINC001571162622 952744898 /nfs/dbraw/zinc/74/48/98/952744898.db2.gz WJWZQFDUGNNCDV-QWRGUYRKSA-N -1 1 380.416 0.056 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)n1 ZINC001571162662 952745096 /nfs/dbraw/zinc/74/50/96/952745096.db2.gz XJQXPUJNPPQPPR-TUAOUCFPSA-N -1 1 380.416 0.476 20 0 GCADMM C[C@@H](NC(=O)c1cccnn1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571162653 952745135 /nfs/dbraw/zinc/74/51/35/952745135.db2.gz XHURHCITRBGELJ-NEPJUHHUSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@@H](NC(=O)c1cccnn1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571162653 952745138 /nfs/dbraw/zinc/74/51/38/952745138.db2.gz XHURHCITRBGELJ-NEPJUHHUSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3cccnn3)CC[C@H]2C)n1 ZINC001571162730 952745995 /nfs/dbraw/zinc/74/59/95/952745995.db2.gz YNPRFCVDOXRLOU-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3cccnn3)CC[C@H]2C)n1 ZINC001571162730 952745999 /nfs/dbraw/zinc/74/59/99/952745999.db2.gz YNPRFCVDOXRLOU-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3cccnn3)CC[C@@H]2C)n1 ZINC001571162728 952746247 /nfs/dbraw/zinc/74/62/47/952746247.db2.gz YNPRFCVDOXRLOU-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3cccnn3)CC[C@@H]2C)n1 ZINC001571162728 952746250 /nfs/dbraw/zinc/74/62/50/952746250.db2.gz YNPRFCVDOXRLOU-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM CCn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571162754 952746300 /nfs/dbraw/zinc/74/63/00/952746300.db2.gz ZFPWKFBBGPKILV-QKCSRTOESA-N -1 1 380.416 0.413 20 0 GCADMM CCn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571162754 952746302 /nfs/dbraw/zinc/74/63/02/952746302.db2.gz ZFPWKFBBGPKILV-QKCSRTOESA-N -1 1 380.416 0.413 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571162777 952746507 /nfs/dbraw/zinc/74/65/07/952746507.db2.gz ZWRJWPHKPYEYRS-VXGBXAGGSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571162777 952746513 /nfs/dbraw/zinc/74/65/13/952746513.db2.gz ZWRJWPHKPYEYRS-VXGBXAGGSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162713 952746588 /nfs/dbraw/zinc/74/65/88/952746588.db2.gz YCNLVEJVUGMNEA-WCQYABFASA-N -1 1 380.416 0.429 20 0 GCADMM Cc1ncc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571165029 952746867 /nfs/dbraw/zinc/74/68/67/952746867.db2.gz BETXKAZWMFZCKN-LBPRGKRZSA-N -1 1 380.416 0.320 20 0 GCADMM Cc1ncc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571165029 952746870 /nfs/dbraw/zinc/74/68/70/952746870.db2.gz BETXKAZWMFZCKN-LBPRGKRZSA-N -1 1 380.416 0.320 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571165085 952746874 /nfs/dbraw/zinc/74/68/74/952746874.db2.gz BVZWLOZYKZPDGO-CMPLNLGQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571165085 952746876 /nfs/dbraw/zinc/74/68/76/952746876.db2.gz BVZWLOZYKZPDGO-CMPLNLGQSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571165134 952746894 /nfs/dbraw/zinc/74/68/94/952746894.db2.gz CQFRFYCOKTXCQP-SNVBAGLBSA-N -1 1 380.416 0.253 20 0 GCADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1n[nH]c2c1CCC2 ZINC001571165163 952748122 /nfs/dbraw/zinc/74/81/22/952748122.db2.gz DMMOWRJZKUPBPW-JTQLQIEISA-N -1 1 380.416 0.125 20 0 GCADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1n[nH]c2c1CCC2 ZINC001571165163 952748125 /nfs/dbraw/zinc/74/81/25/952748125.db2.gz DMMOWRJZKUPBPW-JTQLQIEISA-N -1 1 380.416 0.125 20 0 GCADMM Cc1ncc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c(C)n1 ZINC001571165466 952750266 /nfs/dbraw/zinc/75/02/66/952750266.db2.gz HJDAGEYBMPIFLM-JOYOIKCWSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1ncc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c(C)n1 ZINC001571165466 952750268 /nfs/dbraw/zinc/75/02/68/952750268.db2.gz HJDAGEYBMPIFLM-JOYOIKCWSA-N -1 1 380.416 0.779 20 0 GCADMM O=C(c1cn[nH]c1)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571165402 952750544 /nfs/dbraw/zinc/75/05/44/952750544.db2.gz CQIGWETVDJLKJD-KRWDZBQOSA-N -1 1 380.416 0.513 20 0 GCADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165509 952752294 /nfs/dbraw/zinc/75/22/94/952752294.db2.gz IQSBBYCHUSVKKP-IJLUTSLNSA-N -1 1 380.416 0.207 20 0 GCADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165509 952752298 /nfs/dbraw/zinc/75/22/98/952752298.db2.gz IQSBBYCHUSVKKP-IJLUTSLNSA-N -1 1 380.416 0.207 20 0 GCADMM O=C([C@@H]1CCc2nccn2C1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571165521 952752517 /nfs/dbraw/zinc/75/25/17/952752517.db2.gz IYODWZIKYAWASC-NEPJUHHUSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@@H]1CCc2nccn2C1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571165521 952752519 /nfs/dbraw/zinc/75/25/19/952752519.db2.gz IYODWZIKYAWASC-NEPJUHHUSA-N -1 1 380.416 0.129 20 0 GCADMM COC(=O)C[C@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C1CCCC1 ZINC001571165595 952753300 /nfs/dbraw/zinc/75/33/00/952753300.db2.gz GIEGKJVJYLZWFF-NSHDSACASA-N -1 1 380.430 0.662 20 0 GCADMM Cc1nnccc1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571165824 952754896 /nfs/dbraw/zinc/75/48/96/952754896.db2.gz LRHDOSYCHRWSFX-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1nnccc1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571165824 952754902 /nfs/dbraw/zinc/75/49/02/952754902.db2.gz LRHDOSYCHRWSFX-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM O=C([C@H]1CCc2n[nH]cc2C1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165835 952755658 /nfs/dbraw/zinc/75/56/58/952755658.db2.gz LVUPFJQYDVSQBR-CMPLNLGQSA-N -1 1 380.416 0.198 20 0 GCADMM O=C([C@H]1CCc2n[nH]cc2C1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165836 952755921 /nfs/dbraw/zinc/75/59/21/952755921.db2.gz LVUPFJQYDVSQBR-JQWIXIFHSA-N -1 1 380.416 0.198 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166006 952757002 /nfs/dbraw/zinc/75/70/02/952757002.db2.gz MMCHQVYNYPUGNX-JQWIXIFHSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166006 952757007 /nfs/dbraw/zinc/75/70/07/952757007.db2.gz MMCHQVYNYPUGNX-JQWIXIFHSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166010 952757390 /nfs/dbraw/zinc/75/73/90/952757390.db2.gz MMCHQVYNYPUGNX-ZYHUDNBSSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166010 952757393 /nfs/dbraw/zinc/75/73/93/952757393.db2.gz MMCHQVYNYPUGNX-ZYHUDNBSSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(c1ccnnc1)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571166217 952759469 /nfs/dbraw/zinc/75/94/69/952759469.db2.gz QGBDUXVNALHKKC-UHFFFAOYSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1ccnnc1)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571166217 952759472 /nfs/dbraw/zinc/75/94/72/952759472.db2.gz QGBDUXVNALHKKC-UHFFFAOYSA-N -1 1 380.416 0.801 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c(C)n1 ZINC001571166299 952759511 /nfs/dbraw/zinc/75/95/11/952759511.db2.gz QKSOBNBITRTLKK-ZWNOBZJWSA-N -1 1 380.416 0.201 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571166589 952763104 /nfs/dbraw/zinc/76/31/04/952763104.db2.gz UAFVYWMDVOTJLJ-LBPRGKRZSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571166589 952763108 /nfs/dbraw/zinc/76/31/08/952763108.db2.gz UAFVYWMDVOTJLJ-LBPRGKRZSA-N -1 1 380.416 0.544 20 0 GCADMM O=C([C@H]1CCCc2n[nH]cc21)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571166771 952765236 /nfs/dbraw/zinc/76/52/36/952765236.db2.gz VSQBUMAXFHWNKV-MNOVXSKESA-N -1 1 380.416 0.513 20 0 GCADMM O=C([C@H]1CCCc2n[nH]cc21)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571166771 952765239 /nfs/dbraw/zinc/76/52/39/952765239.db2.gz VSQBUMAXFHWNKV-MNOVXSKESA-N -1 1 380.416 0.513 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1n[nH]c2c1CCC2 ZINC001571166804 952765324 /nfs/dbraw/zinc/76/53/24/952765324.db2.gz WIRUIJHAYIYAQN-JTQLQIEISA-N -1 1 380.416 0.267 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571166787 952765381 /nfs/dbraw/zinc/76/53/81/952765381.db2.gz VWIUHAFJKWUIQW-UHTWSYAYSA-N -1 1 380.416 0.096 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571166787 952765383 /nfs/dbraw/zinc/76/53/83/952765383.db2.gz VWIUHAFJKWUIQW-UHTWSYAYSA-N -1 1 380.416 0.096 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001571166788 952765637 /nfs/dbraw/zinc/76/56/37/952765637.db2.gz VWKNDXFTQZJNAF-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001571166788 952765639 /nfs/dbraw/zinc/76/56/39/952765639.db2.gz VWKNDXFTQZJNAF-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCn2ccnc2C1 ZINC001571166859 952766948 /nfs/dbraw/zinc/76/69/48/952766948.db2.gz YHTFITGHZUSQTP-SDDRHHMPSA-N -1 1 380.416 0.175 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCn2ccnc2C1 ZINC001571166859 952766951 /nfs/dbraw/zinc/76/69/51/952766951.db2.gz YHTFITGHZUSQTP-SDDRHHMPSA-N -1 1 380.416 0.175 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166865 952767028 /nfs/dbraw/zinc/76/70/28/952767028.db2.gz YISVACHKAIVCOV-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166865 952767031 /nfs/dbraw/zinc/76/70/31/952767031.db2.gz YISVACHKAIVCOV-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM CCOc1ncccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571170009 952781474 /nfs/dbraw/zinc/78/14/74/952781474.db2.gz CGHMGVMPHPKCAZ-LLVKDONJSA-N -1 1 381.400 0.199 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1ccncc1F ZINC001571169991 952782121 /nfs/dbraw/zinc/78/21/21/952782121.db2.gz BWMXPHMQNOIMPU-ICCXJUOJSA-N -1 1 381.375 0.731 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1ccncc1F ZINC001571169991 952782123 /nfs/dbraw/zinc/78/21/23/952782123.db2.gz BWMXPHMQNOIMPU-ICCXJUOJSA-N -1 1 381.375 0.731 20 0 GCADMM CC(C)c1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571170208 952785024 /nfs/dbraw/zinc/78/50/24/952785024.db2.gz GEIHVANEEANJKB-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571170208 952785027 /nfs/dbraw/zinc/78/50/27/952785027.db2.gz GEIHVANEEANJKB-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1coc(C2CC2)n1 ZINC001571170416 952785715 /nfs/dbraw/zinc/78/57/15/952785715.db2.gz JCLPNMMMQKZCIS-MWLCHTKSSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)COc1cccnc1 ZINC001571170403 952786102 /nfs/dbraw/zinc/78/61/02/952786102.db2.gz ITQGPGZSZZGRFT-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)COc1cccnc1 ZINC001571170403 952786104 /nfs/dbraw/zinc/78/61/04/952786104.db2.gz ITQGPGZSZZGRFT-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571170831 952789463 /nfs/dbraw/zinc/78/94/63/952789463.db2.gz MBYXULXZZAUXEY-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571170831 952789467 /nfs/dbraw/zinc/78/94/67/952789467.db2.gz MBYXULXZZAUXEY-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001571171068 952790637 /nfs/dbraw/zinc/79/06/37/952790637.db2.gz NGDJIIVDJPTKFK-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001571171068 952790643 /nfs/dbraw/zinc/79/06/43/952790643.db2.gz NGDJIIVDJPTKFK-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(=O)n1C ZINC001571171251 952791357 /nfs/dbraw/zinc/79/13/57/952791357.db2.gz QFIQMYODRPVMND-MNOVXSKESA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(=O)n1C ZINC001571171251 952791362 /nfs/dbraw/zinc/79/13/62/952791362.db2.gz QFIQMYODRPVMND-MNOVXSKESA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571171264 952791419 /nfs/dbraw/zinc/79/14/19/952791419.db2.gz QMFGBQHQOGLEMB-ZYHUDNBSSA-N -1 1 381.400 0.863 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571171264 952791421 /nfs/dbraw/zinc/79/14/21/952791421.db2.gz QMFGBQHQOGLEMB-ZYHUDNBSSA-N -1 1 381.400 0.863 20 0 GCADMM CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)co1 ZINC001571171108 952791607 /nfs/dbraw/zinc/79/16/07/952791607.db2.gz OXSQMTCGALKXPK-NRUUGDAUSA-N -1 1 381.400 0.747 20 0 GCADMM CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)co1 ZINC001571171108 952791612 /nfs/dbraw/zinc/79/16/12/952791612.db2.gz OXSQMTCGALKXPK-NRUUGDAUSA-N -1 1 381.400 0.747 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(=O)n1C ZINC001571171250 952791787 /nfs/dbraw/zinc/79/17/87/952791787.db2.gz QFIQMYODRPVMND-GHMZBOCLSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(=O)n1C ZINC001571171250 952791792 /nfs/dbraw/zinc/79/17/92/952791792.db2.gz QFIQMYODRPVMND-GHMZBOCLSA-N -1 1 381.400 0.071 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571171318 952792790 /nfs/dbraw/zinc/79/27/90/952792790.db2.gz QWAUGRQEWDIPJA-GFCCVEGCSA-N -1 1 381.400 0.402 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001571171321 952793098 /nfs/dbraw/zinc/79/30/98/952793098.db2.gz QWAUGRQEWDIPJA-LBPRGKRZSA-N -1 1 381.400 0.402 20 0 GCADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1nc[nH]n1 ZINC001571171518 952793597 /nfs/dbraw/zinc/79/35/97/952793597.db2.gz BHPMLCOURXJEST-WDSKDSINSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1nc[nH]n1 ZINC001571171518 952793600 /nfs/dbraw/zinc/79/36/00/952793600.db2.gz BHPMLCOURXJEST-WDSKDSINSA-N -1 1 380.825 0.810 20 0 GCADMM CCc1nc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)co1 ZINC001571171796 952796825 /nfs/dbraw/zinc/79/68/25/952796825.db2.gz WOWVPDCSQYMZAR-RTCCRHLQSA-N -1 1 381.400 0.319 20 0 GCADMM CCc1nc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)co1 ZINC001571171796 952796833 /nfs/dbraw/zinc/79/68/33/952796833.db2.gz WOWVPDCSQYMZAR-RTCCRHLQSA-N -1 1 381.400 0.319 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001571172003 952800327 /nfs/dbraw/zinc/80/03/27/952800327.db2.gz ZZZKCPAJHPDKII-MWLCHTKSSA-N -1 1 381.400 0.659 20 0 GCADMM O=C(c1cn[nH]n1)N1CCC[C@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571172811 952808118 /nfs/dbraw/zinc/80/81/18/952808118.db2.gz YFHUKUIPFRDIOG-LURJTMIESA-N -1 1 380.825 0.811 20 0 GCADMM O=C(c1cn[nH]n1)N1CCC[C@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571172811 952808122 /nfs/dbraw/zinc/80/81/22/952808122.db2.gz YFHUKUIPFRDIOG-LURJTMIESA-N -1 1 380.825 0.811 20 0 GCADMM O=C(Cc1ccon1)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172869 952809626 /nfs/dbraw/zinc/80/96/26/952809626.db2.gz ZVTYKWUJMXVMSM-QMMMGPOBSA-N -1 1 380.821 0.902 20 0 GCADMM O=C(Cc1ccon1)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571172869 952809631 /nfs/dbraw/zinc/80/96/31/952809631.db2.gz ZVTYKWUJMXVMSM-QMMMGPOBSA-N -1 1 380.821 0.902 20 0 GCADMM COc1cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)ccn1 ZINC001571174621 952810836 /nfs/dbraw/zinc/81/08/36/952810836.db2.gz CBLUYCQGCKICIX-UHFFFAOYSA-N -1 1 381.400 0.413 20 0 GCADMM COc1cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)ccn1 ZINC001571174621 952810841 /nfs/dbraw/zinc/81/08/41/952810841.db2.gz CBLUYCQGCKICIX-UHFFFAOYSA-N -1 1 381.400 0.413 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)c4cnco4)CC[C@H]32)n1 ZINC001571174589 952811476 /nfs/dbraw/zinc/81/14/76/952811476.db2.gz BEFCUJWGQUDHCP-DGCLKSJQSA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)c4cnco4)CC[C@H]32)n1 ZINC001571174589 952811486 /nfs/dbraw/zinc/81/14/86/952811486.db2.gz BEFCUJWGQUDHCP-DGCLKSJQSA-N -1 1 381.400 0.694 20 0 GCADMM COc1ncccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571174598 952811927 /nfs/dbraw/zinc/81/19/27/952811927.db2.gz BLFQHTTXEYPPLI-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ncccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571174598 952811941 /nfs/dbraw/zinc/81/19/41/952811941.db2.gz BLFQHTTXEYPPLI-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)c2ccc(=O)[nH]c2)n1 ZINC001571174726 952813116 /nfs/dbraw/zinc/81/31/16/952813116.db2.gz GNXVDBYQGBJXOM-GFCCVEGCSA-N -1 1 381.400 0.782 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)c2ccc(=O)[nH]c2)n1 ZINC001571174726 952813123 /nfs/dbraw/zinc/81/31/23/952813123.db2.gz GNXVDBYQGBJXOM-GFCCVEGCSA-N -1 1 381.400 0.782 20 0 GCADMM COc1cccc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001571174670 952813194 /nfs/dbraw/zinc/81/31/94/952813194.db2.gz DXEUGTZZLPFOMR-UHFFFAOYSA-N -1 1 381.400 0.413 20 0 GCADMM COc1cccc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001571174670 952813196 /nfs/dbraw/zinc/81/31/96/952813196.db2.gz DXEUGTZZLPFOMR-UHFFFAOYSA-N -1 1 381.400 0.413 20 0 GCADMM CN(C(=O)c1cn(C)ccc1=O)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571174718 952813380 /nfs/dbraw/zinc/81/33/80/952813380.db2.gz GAXMEASQGGEVJY-UHFFFAOYSA-N -1 1 381.400 0.071 20 0 GCADMM CN(C(=O)c1cn(C)ccc1=O)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571174718 952813386 /nfs/dbraw/zinc/81/33/86/952813386.db2.gz GAXMEASQGGEVJY-UHFFFAOYSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571174751 952814321 /nfs/dbraw/zinc/81/43/21/952814321.db2.gz HGAKHPCSXYEQGE-KOLCDFICSA-N -1 1 381.400 0.919 20 0 GCADMM COc1ncccc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571174830 952816325 /nfs/dbraw/zinc/81/63/25/952816325.db2.gz JPLDQRNYBBLGFL-UHFFFAOYSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571175264 952819398 /nfs/dbraw/zinc/81/93/98/952819398.db2.gz RHNLOZRVPYHYSB-GFCCVEGCSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571175264 952819403 /nfs/dbraw/zinc/81/94/03/952819403.db2.gz RHNLOZRVPYHYSB-GFCCVEGCSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ncccc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571175266 952819516 /nfs/dbraw/zinc/81/95/16/952819516.db2.gz RHQVELVIILEGSU-CMPLNLGQSA-N -1 1 381.400 0.633 20 0 GCADMM COc1ncccc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571175266 952819521 /nfs/dbraw/zinc/81/95/21/952819521.db2.gz RHQVELVIILEGSU-CMPLNLGQSA-N -1 1 381.400 0.633 20 0 GCADMM Cc1cc(=O)c(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c[nH]1 ZINC001571175258 952819917 /nfs/dbraw/zinc/81/99/17/952819917.db2.gz REHPTDNPNYLMSB-UHFFFAOYSA-N -1 1 381.400 0.006 20 0 GCADMM Cc1cc(=O)c(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c[nH]1 ZINC001571175258 952819919 /nfs/dbraw/zinc/81/99/19/952819919.db2.gz REHPTDNPNYLMSB-UHFFFAOYSA-N -1 1 381.400 0.006 20 0 GCADMM COc1ncccc1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571175394 952821103 /nfs/dbraw/zinc/82/11/03/952821103.db2.gz UPQOGOUIKGBOBY-LLVKDONJSA-N -1 1 381.400 0.317 20 0 GCADMM COc1ncccc1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571175394 952821109 /nfs/dbraw/zinc/82/11/09/952821109.db2.gz UPQOGOUIKGBOBY-LLVKDONJSA-N -1 1 381.400 0.317 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)c[nH]1 ZINC001571175355 952821379 /nfs/dbraw/zinc/82/13/79/952821379.db2.gz UCQCAVGLCPHSDA-WDEREUQCSA-N -1 1 381.400 0.369 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)c[nH]1 ZINC001571175355 952821383 /nfs/dbraw/zinc/82/13/83/952821383.db2.gz UCQCAVGLCPHSDA-WDEREUQCSA-N -1 1 381.400 0.369 20 0 GCADMM Cc1nocc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571175360 952821438 /nfs/dbraw/zinc/82/14/38/952821438.db2.gz BGDKFEMDGNIYKT-RYUDHWBXSA-N -1 1 381.400 0.528 20 0 GCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ocnc1C1CC1 ZINC001571175441 952821700 /nfs/dbraw/zinc/82/17/00/952821700.db2.gz CWOGXXZSHDLANI-UHFFFAOYSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccc(=O)[nH]c1 ZINC001571175440 952822790 /nfs/dbraw/zinc/82/27/90/952822790.db2.gz CWAMHMUSNUBTSI-UHFFFAOYSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccc(=O)[nH]c1 ZINC001571175440 952822796 /nfs/dbraw/zinc/82/27/96/952822796.db2.gz CWAMHMUSNUBTSI-UHFFFAOYSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(=O)[nH]1 ZINC001571175701 952825087 /nfs/dbraw/zinc/82/50/87/952825087.db2.gz FMKZESFDBSQHMD-MNOVXSKESA-N -1 1 381.400 0.910 20 0 GCADMM O=C(N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(=O)[nH]1 ZINC001571175701 952825092 /nfs/dbraw/zinc/82/50/92/952825092.db2.gz FMKZESFDBSQHMD-MNOVXSKESA-N -1 1 381.400 0.910 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)c3ccc(=O)[nH]c3)C2)n1 ZINC001571175746 952825447 /nfs/dbraw/zinc/82/54/47/952825447.db2.gz YKXJDIKOIKINEP-UHFFFAOYSA-N -1 1 381.400 0.781 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)c3ccc(=O)[nH]c3)C2)n1 ZINC001571175746 952825450 /nfs/dbraw/zinc/82/54/50/952825450.db2.gz YKXJDIKOIKINEP-UHFFFAOYSA-N -1 1 381.400 0.781 20 0 GCADMM COc1cccnc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571175780 952825874 /nfs/dbraw/zinc/82/58/74/952825874.db2.gz ZRBBJAABJISZTN-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM Cn1ccc(=O)c(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571175930 952826586 /nfs/dbraw/zinc/82/65/86/952826586.db2.gz INWJWXOUWMLKFA-LLVKDONJSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1ccc(=O)c(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571175930 952826590 /nfs/dbraw/zinc/82/65/90/952826590.db2.gz INWJWXOUWMLKFA-LLVKDONJSA-N -1 1 381.400 0.072 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1)c1cnco1 ZINC001571175895 952826701 /nfs/dbraw/zinc/82/67/01/952826701.db2.gz HGEGABDAEXEBHB-GRYCIOLGSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1)c1cnco1 ZINC001571175895 952826707 /nfs/dbraw/zinc/82/67/07/952826707.db2.gz HGEGABDAEXEBHB-GRYCIOLGSA-N -1 1 381.400 0.680 20 0 GCADMM Cc1nocc1C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571175904 952826813 /nfs/dbraw/zinc/82/68/13/952826813.db2.gz HJQOISPPCVGXKF-SJKOYZFVSA-N -1 1 381.400 0.885 20 0 GCADMM O=C(Cc1cc(C2CC2)no1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571175889 952827058 /nfs/dbraw/zinc/82/70/58/952827058.db2.gz HCMSAVKSAASVER-XYPYZODXSA-N -1 1 381.400 0.246 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571176170 952829024 /nfs/dbraw/zinc/82/90/24/952829024.db2.gz NKKDJWNPDOKFKM-DGCLKSJQSA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571176170 952829027 /nfs/dbraw/zinc/82/90/27/952829027.db2.gz NKKDJWNPDOKFKM-DGCLKSJQSA-N -1 1 381.400 0.694 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1=O ZINC001571176141 952829813 /nfs/dbraw/zinc/82/98/13/952829813.db2.gz MIESIHHSRDKZFT-LBPRGKRZSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1=O ZINC001571176141 952829818 /nfs/dbraw/zinc/82/98/18/952829818.db2.gz MIESIHHSRDKZFT-LBPRGKRZSA-N -1 1 381.400 0.072 20 0 GCADMM O=C(Cc1ccon1)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571176347 952830382 /nfs/dbraw/zinc/83/03/82/952830382.db2.gz QDKDAUBYDRBWHI-CXAGYDPISA-N -1 1 381.400 0.505 20 0 GCADMM O=C(Cc1ccon1)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571176347 952830386 /nfs/dbraw/zinc/83/03/86/952830386.db2.gz QDKDAUBYDRBWHI-CXAGYDPISA-N -1 1 381.400 0.505 20 0 GCADMM O=C(COc1cccnc1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571176500 952831813 /nfs/dbraw/zinc/83/18/13/952831813.db2.gz SAFQTUDYZLBMIC-UHFFFAOYSA-N -1 1 381.400 0.534 20 0 GCADMM O=C(COc1cccnc1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571176500 952831822 /nfs/dbraw/zinc/83/18/22/952831822.db2.gz SAFQTUDYZLBMIC-UHFFFAOYSA-N -1 1 381.400 0.534 20 0 GCADMM Cc1nc(C(=O)N2C[C@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)co1 ZINC001571176538 952833618 /nfs/dbraw/zinc/83/36/18/952833618.db2.gz TZGOUQNAKTVFQS-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1nc(C(=O)N2C[C@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)co1 ZINC001571176538 952833625 /nfs/dbraw/zinc/83/36/25/952833625.db2.gz TZGOUQNAKTVFQS-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1noc(C2CC2)c1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571176794 952834279 /nfs/dbraw/zinc/83/42/79/952834279.db2.gz XVHIZGPJESMCHZ-NSHDSACASA-N -1 1 381.400 0.839 20 0 GCADMM Cc1noc(C2CC2)c1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571176794 952834283 /nfs/dbraw/zinc/83/42/83/952834283.db2.gz XVHIZGPJESMCHZ-NSHDSACASA-N -1 1 381.400 0.839 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001571178403 952839852 /nfs/dbraw/zinc/83/98/52/952839852.db2.gz HQBDUBFDUFKTMZ-HBNTYKKESA-N -1 1 381.404 0.128 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001571178403 952839857 /nfs/dbraw/zinc/83/98/57/952839857.db2.gz HQBDUBFDUFKTMZ-HBNTYKKESA-N -1 1 381.404 0.128 20 0 GCADMM O=C(c1ncoc1C1CC1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571178519 952842208 /nfs/dbraw/zinc/84/22/08/952842208.db2.gz LQVAFSMZQXAZOY-LLVKDONJSA-N -1 1 381.400 0.661 20 0 GCADMM O=C(c1ncccc1O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178647 952844510 /nfs/dbraw/zinc/84/45/10/952844510.db2.gz PTHJJCRQDXZUAL-LLVKDONJSA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1ncccc1[O-])N1CC[C@@H](CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571178647 952844515 /nfs/dbraw/zinc/84/45/15/952844515.db2.gz PTHJJCRQDXZUAL-LLVKDONJSA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1cc[nH]c(=O)c1)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571178768 952846727 /nfs/dbraw/zinc/84/67/27/952846727.db2.gz SWLOEQYXGSFUBD-UHFFFAOYSA-N -1 1 381.400 0.144 20 0 GCADMM O=C(c1cnco1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001571178784 952848400 /nfs/dbraw/zinc/84/84/00/952848400.db2.gz UGDGFZDQZVLZED-SDDRHHMPSA-N -1 1 381.400 0.998 20 0 GCADMM O=C(c1cnco1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001571178784 952848408 /nfs/dbraw/zinc/84/84/08/952848408.db2.gz UGDGFZDQZVLZED-SDDRHHMPSA-N -1 1 381.400 0.998 20 0 GCADMM O=C(c1cc[nH]c(=O)c1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571178936 952850593 /nfs/dbraw/zinc/85/05/93/952850593.db2.gz YNMUPGNEFZVEHK-LBPRGKRZSA-N -1 1 381.400 0.864 20 0 GCADMM O=C(c1cc[nH]c(=O)c1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571178936 952850597 /nfs/dbraw/zinc/85/05/97/952850597.db2.gz YNMUPGNEFZVEHK-LBPRGKRZSA-N -1 1 381.400 0.864 20 0 GCADMM CCc1c(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)ccn1C ZINC001571183747 952882277 /nfs/dbraw/zinc/88/22/77/952882277.db2.gz IOFOYKMGUOMSKD-RYUDHWBXSA-N -1 1 381.444 0.695 20 0 GCADMM CCCc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184470 952894035 /nfs/dbraw/zinc/89/40/35/952894035.db2.gz ZZRLCKGPCGAPOR-BXUZGUMPSA-N -1 1 381.444 0.932 20 0 GCADMM Cc1ccn(C)c1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571189303 952928261 /nfs/dbraw/zinc/92/82/61/952928261.db2.gz URZDVWZEOAIPBM-CHWSQXEVSA-N -1 1 381.444 0.546 20 0 GCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1CCc2nnnn2CC1 ZINC001571191695 952946419 /nfs/dbraw/zinc/94/64/19/952946419.db2.gz QTAGAAXNYUMBDX-RXMQYKEDSA-N -1 1 381.813 0.490 20 0 GCADMM O=C(c1cnon1)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571193794 952953189 /nfs/dbraw/zinc/95/31/89/952953189.db2.gz COWIPWGDZNKYGJ-INIZCTEOSA-N -1 1 382.388 0.172 20 0 GCADMM O=C(c1cnon1)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571193794 952953193 /nfs/dbraw/zinc/95/31/93/952953193.db2.gz COWIPWGDZNKYGJ-INIZCTEOSA-N -1 1 382.388 0.172 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(CNC(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571193785 952953324 /nfs/dbraw/zinc/95/33/24/952953324.db2.gz CEZVOGZNZFEQHC-UHFFFAOYSA-N -1 1 382.388 0.081 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(CNC(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571193785 952953326 /nfs/dbraw/zinc/95/33/26/952953326.db2.gz CEZVOGZNZFEQHC-UHFFFAOYSA-N -1 1 382.388 0.081 20 0 GCADMM COc1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571193932 952954412 /nfs/dbraw/zinc/95/44/12/952954412.db2.gz GZRKMEFPRIPBQW-JTQLQIEISA-N -1 1 382.388 0.172 20 0 GCADMM COc1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571193932 952954420 /nfs/dbraw/zinc/95/44/20/952954420.db2.gz GZRKMEFPRIPBQW-JTQLQIEISA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571194092 952957272 /nfs/dbraw/zinc/95/72/72/952957272.db2.gz INESXUXKASXFOI-AOOOYVTPSA-N -1 1 382.388 0.076 20 0 GCADMM COc1cncc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571194092 952957280 /nfs/dbraw/zinc/95/72/80/952957280.db2.gz INESXUXKASXFOI-AOOOYVTPSA-N -1 1 382.388 0.076 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571194218 952960277 /nfs/dbraw/zinc/96/02/77/952960277.db2.gz JTQIUFAPKAKDED-KOLCDFICSA-N -1 1 382.388 0.258 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571194218 952960287 /nfs/dbraw/zinc/96/02/87/952960287.db2.gz JTQIUFAPKAKDED-KOLCDFICSA-N -1 1 382.388 0.258 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001571194850 952969434 /nfs/dbraw/zinc/96/94/34/952969434.db2.gz SXNQTQDPRVLHGD-UWVGGRQHSA-N -1 1 382.384 0.328 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1occ2c1CCOC2 ZINC001571195040 952972109 /nfs/dbraw/zinc/97/21/09/952972109.db2.gz WSOCNIZLPSQBKZ-LLVKDONJSA-N -1 1 382.384 0.331 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1occ2c1CCOC2 ZINC001571195040 952972113 /nfs/dbraw/zinc/97/21/13/952972113.db2.gz WSOCNIZLPSQBKZ-LLVKDONJSA-N -1 1 382.384 0.331 20 0 GCADMM COc1cc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)ncn1 ZINC001571195008 952972720 /nfs/dbraw/zinc/97/27/20/952972720.db2.gz XIFIEGBQCLYGLP-UHFFFAOYSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)ncn1 ZINC001571195008 952972722 /nfs/dbraw/zinc/97/27/22/952972722.db2.gz XIFIEGBQCLYGLP-UHFFFAOYSA-N -1 1 382.388 0.172 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cc1ccc(F)cc1 ZINC001571197309 952988595 /nfs/dbraw/zinc/98/85/95/952988595.db2.gz VXNGXTWIWDOVLN-RISCZKNCSA-N -1 1 382.403 0.862 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1cnc2n1CCC2 ZINC001571198904 952994550 /nfs/dbraw/zinc/99/45/50/952994550.db2.gz HZCMQWZILPRGSU-UHFFFAOYSA-N -1 1 382.428 0.976 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571199205 952998306 /nfs/dbraw/zinc/99/83/06/952998306.db2.gz NGSCSCNCPHJNOV-OYSJHZPESA-N -1 1 382.428 0.021 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571199205 952998311 /nfs/dbraw/zinc/99/83/11/952998311.db2.gz NGSCSCNCPHJNOV-OYSJHZPESA-N -1 1 382.428 0.021 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001571199469 953000670 /nfs/dbraw/zinc/00/06/70/953000670.db2.gz SCJDGUCENPJALZ-VOZZTLDKSA-N -1 1 382.428 0.117 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001571199469 953000676 /nfs/dbraw/zinc/00/06/76/953000676.db2.gz SCJDGUCENPJALZ-VOZZTLDKSA-N -1 1 382.428 0.117 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2ccco2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571199918 953005037 /nfs/dbraw/zinc/00/50/37/953005037.db2.gz CRMQOGNLFBNNDP-OCCSQVGLSA-N -1 1 382.428 0.953 20 0 GCADMM O=C(C1=CCOCC1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571204588 953029674 /nfs/dbraw/zinc/02/96/74/953029674.db2.gz AHMKACJKDRUIFP-OKILXGFUSA-N -1 1 382.428 0.573 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn(C)cn2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571204544 953029807 /nfs/dbraw/zinc/02/98/07/953029807.db2.gz ASICNQTYCDFNKE-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn(C)cn2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571204544 953029810 /nfs/dbraw/zinc/02/98/10/953029810.db2.gz ASICNQTYCDFNKE-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571204581 953029934 /nfs/dbraw/zinc/02/99/34/953029934.db2.gz BGYQRAMTHFCWIA-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571204583 953030652 /nfs/dbraw/zinc/03/06/52/953030652.db2.gz BGYQRAMTHFCWIA-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)C1=CCOCC1 ZINC001571204669 953030986 /nfs/dbraw/zinc/03/09/86/953030986.db2.gz BJIMWDHNHHGTRI-KBPBESRZSA-N -1 1 382.428 0.843 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)C1=CCOCC1 ZINC001571204669 953030991 /nfs/dbraw/zinc/03/09/91/953030991.db2.gz BJIMWDHNHHGTRI-KBPBESRZSA-N -1 1 382.428 0.843 20 0 GCADMM O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)C1=CCOCC1 ZINC001571204672 953031199 /nfs/dbraw/zinc/03/11/99/953031199.db2.gz BJIMWDHNHHGTRI-ZIAGYGMSSA-N -1 1 382.428 0.843 20 0 GCADMM O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)C1=CCOCC1 ZINC001571204672 953031202 /nfs/dbraw/zinc/03/12/02/953031202.db2.gz BJIMWDHNHHGTRI-ZIAGYGMSSA-N -1 1 382.428 0.843 20 0 GCADMM CCc1c(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)cnn1C ZINC001571204617 953031378 /nfs/dbraw/zinc/03/13/78/953031378.db2.gz BPMVIFQWRFFQQW-UHFFFAOYSA-N -1 1 382.432 0.223 20 0 GCADMM CCc1c(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)cnn1C ZINC001571204617 953031384 /nfs/dbraw/zinc/03/13/84/953031384.db2.gz BPMVIFQWRFFQQW-UHFFFAOYSA-N -1 1 382.432 0.223 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCn1cccn1 ZINC001571204824 953032170 /nfs/dbraw/zinc/03/21/70/953032170.db2.gz CEFVAGZZZAFTFU-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCn1cccn1 ZINC001571204824 953032171 /nfs/dbraw/zinc/03/21/71/953032171.db2.gz CEFVAGZZZAFTFU-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571204846 953032289 /nfs/dbraw/zinc/03/22/89/953032289.db2.gz CXBQJUYKBNWOPO-AAEUAGOBSA-N -1 1 382.432 0.165 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571204827 953032467 /nfs/dbraw/zinc/03/24/67/953032467.db2.gz CEPLVWXBEMRCMJ-LBPRGKRZSA-N -1 1 382.432 0.532 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571204827 953032472 /nfs/dbraw/zinc/03/24/72/953032472.db2.gz CEPLVWXBEMRCMJ-LBPRGKRZSA-N -1 1 382.432 0.532 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)n(C)n1 ZINC001571204918 953033254 /nfs/dbraw/zinc/03/32/54/953033254.db2.gz FUKUALFFXXMVMG-ZWNOBZJWSA-N -1 1 382.432 0.207 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)n(C)n1 ZINC001571204918 953033256 /nfs/dbraw/zinc/03/32/56/953033256.db2.gz FUKUALFFXXMVMG-ZWNOBZJWSA-N -1 1 382.432 0.207 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnn(C)c2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571204861 953033351 /nfs/dbraw/zinc/03/33/51/953033351.db2.gz DFSLSFZLTJZJGY-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnn(C)c2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571204861 953033358 /nfs/dbraw/zinc/03/33/58/953033358.db2.gz DFSLSFZLTJZJGY-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)Cn2cccn2)CC1 ZINC001571204881 953033773 /nfs/dbraw/zinc/03/37/73/953033773.db2.gz DQUZNVRROXJPSX-LBPRGKRZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)Cn2cccn2)CC1 ZINC001571204881 953033776 /nfs/dbraw/zinc/03/37/76/953033776.db2.gz DQUZNVRROXJPSX-LBPRGKRZSA-N -1 1 382.432 0.592 20 0 GCADMM CCc1c(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571204872 953033883 /nfs/dbraw/zinc/03/38/83/953033883.db2.gz DMRCWNCWYQKSMX-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1c(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571204872 953033887 /nfs/dbraw/zinc/03/38/87/953033887.db2.gz DMRCWNCWYQKSMX-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM O=C(C1=COCCC1)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571204936 953035091 /nfs/dbraw/zinc/03/50/91/953035091.db2.gz DLHJBGORAUWIFT-UONOGXRCSA-N -1 1 382.428 0.921 20 0 GCADMM CCc1nc(N[C@H]2CN(C(=O)c3ccn(C)n3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571205123 953036015 /nfs/dbraw/zinc/03/60/15/953036015.db2.gz FVVAJCITNOCQIJ-GWCFXTLKSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1nc(N[C@H]2CN(C(=O)c3ccn(C)n3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571205123 953036019 /nfs/dbraw/zinc/03/60/19/953036019.db2.gz FVVAJCITNOCQIJ-GWCFXTLKSA-N -1 1 382.432 0.525 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)n1 ZINC001571205159 953036503 /nfs/dbraw/zinc/03/65/03/953036503.db2.gz GSQWQXADQSFEIR-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205453 953037837 /nfs/dbraw/zinc/03/78/37/953037837.db2.gz JFWVUMTXQVBSHF-MNOVXSKESA-N -1 1 382.432 0.905 20 0 GCADMM CCCn1cc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571205432 953038257 /nfs/dbraw/zinc/03/82/57/953038257.db2.gz IDCPUUQOCKACSO-UHFFFAOYSA-N -1 1 382.432 0.978 20 0 GCADMM CCCn1cc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571205432 953038261 /nfs/dbraw/zinc/03/82/61/953038261.db2.gz IDCPUUQOCKACSO-UHFFFAOYSA-N -1 1 382.432 0.978 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2[nH]c(C)nc2C)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571205436 953038490 /nfs/dbraw/zinc/03/84/90/953038490.db2.gz IIJJPRRGTIBCMF-NWDGAFQWSA-N -1 1 382.432 0.784 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001571205512 953038916 /nfs/dbraw/zinc/03/89/16/953038916.db2.gz KSWICDUNJAICMI-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001571205512 953038921 /nfs/dbraw/zinc/03/89/21/953038921.db2.gz KSWICDUNJAICMI-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001571205469 953038967 /nfs/dbraw/zinc/03/89/67/953038967.db2.gz JMJXBRIBSRUBRQ-WCQYABFASA-N -1 1 382.432 0.978 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001571205469 953038971 /nfs/dbraw/zinc/03/89/71/953038971.db2.gz JMJXBRIBSRUBRQ-WCQYABFASA-N -1 1 382.432 0.978 20 0 GCADMM CCc1n[nH]cc1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571205505 953039044 /nfs/dbraw/zinc/03/90/44/953039044.db2.gz KKLVGZNOBMRCSA-UHFFFAOYSA-N -1 1 382.432 0.589 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)n1 ZINC001571205482 953039193 /nfs/dbraw/zinc/03/91/93/953039193.db2.gz JWDPWPKNCCLHMW-JQWIXIFHSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)n1 ZINC001571205482 953039200 /nfs/dbraw/zinc/03/92/00/953039200.db2.gz JWDPWPKNCCLHMW-JQWIXIFHSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571205474 953039266 /nfs/dbraw/zinc/03/92/66/953039266.db2.gz JOMRISXSPMCCAW-YPMHNXCESA-N -1 1 382.432 0.660 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571205474 953039270 /nfs/dbraw/zinc/03/92/70/953039270.db2.gz JOMRISXSPMCCAW-YPMHNXCESA-N -1 1 382.432 0.660 20 0 GCADMM CCCc1n[nH]cc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571205477 953039457 /nfs/dbraw/zinc/03/94/57/953039457.db2.gz JPCPVVWPUXPPBX-UHFFFAOYSA-N -1 1 382.432 0.731 20 0 GCADMM CCc1c(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571205661 953040616 /nfs/dbraw/zinc/04/06/16/953040616.db2.gz MQLPYHVJELNTSG-XYPYZODXSA-N -1 1 382.432 0.634 20 0 GCADMM CCc1c(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571205661 953040619 /nfs/dbraw/zinc/04/06/19/953040619.db2.gz MQLPYHVJELNTSG-XYPYZODXSA-N -1 1 382.432 0.634 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)n1 ZINC001571205783 953042218 /nfs/dbraw/zinc/04/22/18/953042218.db2.gz ARUNDLHUQSXDMZ-DGCLKSJQSA-N -1 1 382.432 0.517 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)n1 ZINC001571205783 953042213 /nfs/dbraw/zinc/04/22/13/953042213.db2.gz ARUNDLHUQSXDMZ-DGCLKSJQSA-N -1 1 382.432 0.517 20 0 GCADMM C[C@@H](NC(=O)c1ccnn1C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571205861 953043393 /nfs/dbraw/zinc/04/33/93/953043393.db2.gz CHOSXTKDXIXMCO-LLVKDONJSA-N -1 1 382.432 0.425 20 0 GCADMM C[C@@H](NC(=O)c1ccnn1C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571205861 953043398 /nfs/dbraw/zinc/04/33/98/953043398.db2.gz CHOSXTKDXIXMCO-LLVKDONJSA-N -1 1 382.432 0.425 20 0 GCADMM C[C@H]1CN(C(=O)CCn2cccn2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571205974 953044554 /nfs/dbraw/zinc/04/45/54/953044554.db2.gz PIPNWMUWRGXDKG-STQMWFEESA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CN(C(=O)CCn2cccn2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571205974 953044558 /nfs/dbraw/zinc/04/45/58/953044558.db2.gz PIPNWMUWRGXDKG-STQMWFEESA-N -1 1 382.432 0.592 20 0 GCADMM CCc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)nn1C ZINC001571205915 953044993 /nfs/dbraw/zinc/04/49/93/953044993.db2.gz OIRPCZPKTHUIEY-HZMBPMFUSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)nn1C ZINC001571205915 953044999 /nfs/dbraw/zinc/04/49/99/953044999.db2.gz OIRPCZPKTHUIEY-HZMBPMFUSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206011 953045668 /nfs/dbraw/zinc/04/56/68/953045668.db2.gz QSNBEFIMDACFJO-WDEREUQCSA-N -1 1 382.432 0.517 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccnn3C)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571206015 953045833 /nfs/dbraw/zinc/04/58/33/953045833.db2.gz QSWLQRJFZTWQSF-WDEREUQCSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccnn3C)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571206015 953045838 /nfs/dbraw/zinc/04/58/38/953045838.db2.gz QSWLQRJFZTWQSF-WDEREUQCSA-N -1 1 382.432 0.668 20 0 GCADMM CCCn1nccc1C(=O)N1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571206005 953045887 /nfs/dbraw/zinc/04/58/87/953045887.db2.gz QSGVNYBWRUGSEB-UHFFFAOYSA-N -1 1 382.432 0.534 20 0 GCADMM CCCn1nccc1C(=O)N1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571206005 953045892 /nfs/dbraw/zinc/04/58/92/953045892.db2.gz QSGVNYBWRUGSEB-UHFFFAOYSA-N -1 1 382.432 0.534 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206009 953045958 /nfs/dbraw/zinc/04/59/58/953045958.db2.gz QSNBEFIMDACFJO-MNOVXSKESA-N -1 1 382.432 0.517 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205999 953046101 /nfs/dbraw/zinc/04/61/01/953046101.db2.gz QNYQBOAEIKZIJM-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205999 953046104 /nfs/dbraw/zinc/04/61/04/953046104.db2.gz QNYQBOAEIKZIJM-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM CCN(C(=O)c1[nH]c(C)nc1C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206002 953046441 /nfs/dbraw/zinc/04/64/41/953046441.db2.gz QQCNAWKHRBYMNG-LBPRGKRZSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001571206192 953047812 /nfs/dbraw/zinc/04/78/12/953047812.db2.gz MWJDNSIBUVAMGV-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001571206192 953047819 /nfs/dbraw/zinc/04/78/19/953047819.db2.gz MWJDNSIBUVAMGV-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cn[nH]c2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571206220 953048100 /nfs/dbraw/zinc/04/81/00/953048100.db2.gz SFEQWHHTNCINRB-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cn[nH]c2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571206220 953048105 /nfs/dbraw/zinc/04/81/05/953048105.db2.gz SFEQWHHTNCINRB-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM CC[C@@H]1CN(C(=O)c2c[nH]c(C)n2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571206173 953048116 /nfs/dbraw/zinc/04/81/16/953048116.db2.gz RZWIXEFHTZQION-NEPJUHHUSA-N -1 1 382.432 0.463 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571206193 953048482 /nfs/dbraw/zinc/04/84/82/953048482.db2.gz SBXZSUZWXPGLIS-PWSUYJOCSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571206193 953048485 /nfs/dbraw/zinc/04/84/85/953048485.db2.gz SBXZSUZWXPGLIS-PWSUYJOCSA-N -1 1 382.432 0.730 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)CCc1ccnn1C ZINC001571206234 953048995 /nfs/dbraw/zinc/04/89/95/953048995.db2.gz SMHBBRRRFFRQJN-RYUDHWBXSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)CCc1ccnn1C ZINC001571206234 953049003 /nfs/dbraw/zinc/04/90/03/953049003.db2.gz SMHBBRRRFFRQJN-RYUDHWBXSA-N -1 1 382.432 0.424 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206253 953049409 /nfs/dbraw/zinc/04/94/09/953049409.db2.gz SQCSFRJFMLDHBY-JQWIXIFHSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cn(C)nc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571206360 953050356 /nfs/dbraw/zinc/05/03/56/953050356.db2.gz UGXOILQBBVZQOC-NSHDSACASA-N -1 1 382.432 0.588 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cn(C)nc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571206360 953050359 /nfs/dbraw/zinc/05/03/59/953050359.db2.gz UGXOILQBBVZQOC-NSHDSACASA-N -1 1 382.432 0.588 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)c3cncn3C)[C@H](C)C2)n1 ZINC001571206429 953051284 /nfs/dbraw/zinc/05/12/84/953051284.db2.gz GVTAJTWRSFHWIK-ZYHUDNBSSA-N -1 1 382.432 0.201 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)c3cncn3C)[C@H](C)C2)n1 ZINC001571206429 953051287 /nfs/dbraw/zinc/05/12/87/953051287.db2.gz GVTAJTWRSFHWIK-ZYHUDNBSSA-N -1 1 382.432 0.201 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206486 953052032 /nfs/dbraw/zinc/05/20/32/953052032.db2.gz HGSJANOTPMKOGR-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206486 953052034 /nfs/dbraw/zinc/05/20/34/953052034.db2.gz HGSJANOTPMKOGR-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@H](NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206541 953052163 /nfs/dbraw/zinc/05/21/63/953052163.db2.gz ICDMVXMEIVMEPH-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@H](NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206541 953052166 /nfs/dbraw/zinc/05/21/66/953052166.db2.gz ICDMVXMEIVMEPH-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM CCn1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571206552 953052227 /nfs/dbraw/zinc/05/22/27/953052227.db2.gz IGEUAOJGNOLMPZ-NEPJUHHUSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571206552 953052230 /nfs/dbraw/zinc/05/22/30/953052230.db2.gz IGEUAOJGNOLMPZ-NEPJUHHUSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571206515 953052342 /nfs/dbraw/zinc/05/23/42/953052342.db2.gz HTUHVGMSZBTKHJ-VXGBXAGGSA-N -1 1 382.432 0.115 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001571206473 953052357 /nfs/dbraw/zinc/05/23/57/953052357.db2.gz PYGGSKMDFQVRPM-OLZOCXBDSA-N -1 1 382.432 0.187 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571206571 953053135 /nfs/dbraw/zinc/05/31/35/953053135.db2.gz IIBIYLGDWYBGJG-JQWIXIFHSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571206571 953053138 /nfs/dbraw/zinc/05/31/38/953053138.db2.gz IIBIYLGDWYBGJG-JQWIXIFHSA-N -1 1 382.432 0.899 20 0 GCADMM CCc1nc[nH]c1C(=O)NCC1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571206590 953053284 /nfs/dbraw/zinc/05/32/84/953053284.db2.gz VOXBZRLGWOQPDN-UHFFFAOYSA-N -1 1 382.432 0.871 20 0 GCADMM CCc1nc[nH]c1C(=O)NCC1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571206590 953053287 /nfs/dbraw/zinc/05/32/87/953053287.db2.gz VOXBZRLGWOQPDN-UHFFFAOYSA-N -1 1 382.432 0.871 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206701 953053849 /nfs/dbraw/zinc/05/38/49/953053849.db2.gz JLNKWFIEGCEJJU-VXGBXAGGSA-N -1 1 382.432 0.306 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571206707 953053879 /nfs/dbraw/zinc/05/38/79/953053879.db2.gz WKCOFENWPMYYGJ-LLVKDONJSA-N -1 1 382.432 0.588 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571206707 953053884 /nfs/dbraw/zinc/05/38/84/953053884.db2.gz WKCOFENWPMYYGJ-LLVKDONJSA-N -1 1 382.432 0.588 20 0 GCADMM CC1(C)CN(C(=O)CCc2cn[nH]c2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571206855 953056377 /nfs/dbraw/zinc/05/63/77/953056377.db2.gz YGADIXGNXBXXQN-CYBMUJFWSA-N -1 1 382.432 0.662 20 0 GCADMM CC1(C)CN(C(=O)CCc2cn[nH]c2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571206855 953056382 /nfs/dbraw/zinc/05/63/82/953056382.db2.gz YGADIXGNXBXXQN-CYBMUJFWSA-N -1 1 382.432 0.662 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CC12CCOCC2 ZINC001571206937 953057192 /nfs/dbraw/zinc/05/71/92/953057192.db2.gz UJYOYSPJQWLWQW-CZXHOFHRSA-N -1 1 382.428 0.024 20 0 GCADMM CCc1c[nH]c(CC(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206996 953058286 /nfs/dbraw/zinc/05/82/86/953058286.db2.gz ZBUVFBAMDGKEFJ-GXFFZTMASA-N -1 1 382.432 0.444 20 0 GCADMM CCCn1nccc1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571207014 953058508 /nfs/dbraw/zinc/05/85/08/953058508.db2.gz ZTCWSIZFUNXABQ-UHFFFAOYSA-N -1 1 382.432 0.616 20 0 GCADMM CCCn1nccc1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571207014 953058509 /nfs/dbraw/zinc/05/85/09/953058509.db2.gz ZTCWSIZFUNXABQ-UHFFFAOYSA-N -1 1 382.432 0.616 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)CCn2ccnc2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571207062 953059327 /nfs/dbraw/zinc/05/93/27/953059327.db2.gz MGZJKLKWMUDKHG-ZDUSSCGKSA-N -1 1 382.432 0.228 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@H]2C)n1 ZINC001571207128 953060022 /nfs/dbraw/zinc/06/00/22/953060022.db2.gz NLVCPYAEAGRVIM-IINYFYTJSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@H]2C)n1 ZINC001571207128 953060025 /nfs/dbraw/zinc/06/00/25/953060025.db2.gz NLVCPYAEAGRVIM-IINYFYTJSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@H]2C)n1 ZINC001571207127 953060340 /nfs/dbraw/zinc/06/03/40/953060340.db2.gz NLVCPYAEAGRVIM-HZMBPMFUSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@H]2C)n1 ZINC001571207127 953060343 /nfs/dbraw/zinc/06/03/43/953060343.db2.gz NLVCPYAEAGRVIM-HZMBPMFUSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207254 953060760 /nfs/dbraw/zinc/06/07/60/953060760.db2.gz PBWRODCGDAMLEM-GFCCVEGCSA-N -1 1 382.432 0.465 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571207228 953061184 /nfs/dbraw/zinc/06/11/84/953061184.db2.gz XUELDZSQXSGSKD-YVEFUNNKSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571207228 953061189 /nfs/dbraw/zinc/06/11/89/953061189.db2.gz XUELDZSQXSGSKD-YVEFUNNKSA-N -1 1 382.432 0.765 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207239 953061332 /nfs/dbraw/zinc/06/13/32/953061332.db2.gz OXHPIGJFCNPFCJ-GFCCVEGCSA-N -1 1 382.432 0.438 20 0 GCADMM CCn1cc(CC(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cn1 ZINC001571207238 953061456 /nfs/dbraw/zinc/06/14/56/953061456.db2.gz OUWTZQHABAHBAW-BXUZGUMPSA-N -1 1 382.432 0.057 20 0 GCADMM CCn1cc(CC(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cn1 ZINC001571207238 953061460 /nfs/dbraw/zinc/06/14/60/953061460.db2.gz OUWTZQHABAHBAW-BXUZGUMPSA-N -1 1 382.432 0.057 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207296 953062075 /nfs/dbraw/zinc/06/20/75/953062075.db2.gz PUVWFCAHGKBFIY-GFCCVEGCSA-N -1 1 382.432 0.406 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207296 953062077 /nfs/dbraw/zinc/06/20/77/953062077.db2.gz PUVWFCAHGKBFIY-GFCCVEGCSA-N -1 1 382.432 0.406 20 0 GCADMM Cc1c(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571207329 953062167 /nfs/dbraw/zinc/06/21/67/953062167.db2.gz QXXZVIBUSJZYDP-PWSUYJOCSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1c(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571207329 953062171 /nfs/dbraw/zinc/06/21/71/953062171.db2.gz QXXZVIBUSJZYDP-PWSUYJOCSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1c(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)cnn1C ZINC001571207458 953063636 /nfs/dbraw/zinc/06/36/36/953063636.db2.gz SALOLQTZSWGHFW-GXFFZTMASA-N -1 1 382.432 0.343 20 0 GCADMM Cc1c(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)cnn1C ZINC001571207458 953063640 /nfs/dbraw/zinc/06/36/40/953063640.db2.gz SALOLQTZSWGHFW-GXFFZTMASA-N -1 1 382.432 0.343 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571207509 953063669 /nfs/dbraw/zinc/06/36/69/953063669.db2.gz VGONJFRPTPJQOU-LBPRGKRZSA-N -1 1 382.432 0.961 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207509 953063671 /nfs/dbraw/zinc/06/36/71/953063671.db2.gz VGONJFRPTPJQOU-LBPRGKRZSA-N -1 1 382.432 0.961 20 0 GCADMM CCn1ccnc1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571207498 953063679 /nfs/dbraw/zinc/06/36/79/953063679.db2.gz UQXYMMUQEABWQJ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571207572 953064126 /nfs/dbraw/zinc/06/41/26/953064126.db2.gz XBCMSOHWAOSNSS-VXGBXAGGSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571207572 953064131 /nfs/dbraw/zinc/06/41/31/953064131.db2.gz XBCMSOHWAOSNSS-VXGBXAGGSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1cnc(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001571207563 953064275 /nfs/dbraw/zinc/06/42/75/953064275.db2.gz WVVXVVNTBZYPAQ-GFCCVEGCSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1cnc(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001571207563 953064277 /nfs/dbraw/zinc/06/42/77/953064277.db2.gz WVVXVVNTBZYPAQ-GFCCVEGCSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571207526 953064547 /nfs/dbraw/zinc/06/45/47/953064547.db2.gz VQCRYYIKLQMKQX-RYUDHWBXSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571207526 953064549 /nfs/dbraw/zinc/06/45/49/953064549.db2.gz VQCRYYIKLQMKQX-RYUDHWBXSA-N -1 1 382.432 0.884 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1ccn(C)n1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571207585 953064778 /nfs/dbraw/zinc/06/47/78/953064778.db2.gz XKDXSHIKIXTWMW-GFCCVEGCSA-N -1 1 382.432 0.521 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1ccn(C)n1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571207585 953064780 /nfs/dbraw/zinc/06/47/80/953064780.db2.gz XKDXSHIKIXTWMW-GFCCVEGCSA-N -1 1 382.432 0.521 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001571207652 953065204 /nfs/dbraw/zinc/06/52/04/953065204.db2.gz ZBFQGLMTPHQHQT-WCQYABFASA-N -1 1 382.432 0.517 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001571207652 953065207 /nfs/dbraw/zinc/06/52/07/953065207.db2.gz ZBFQGLMTPHQHQT-WCQYABFASA-N -1 1 382.432 0.517 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571207642 953065461 /nfs/dbraw/zinc/06/54/61/953065461.db2.gz YSXYZRAWXYLLAV-ZYHUDNBSSA-N -1 1 382.432 0.437 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571207642 953065464 /nfs/dbraw/zinc/06/54/64/953065464.db2.gz YSXYZRAWXYLLAV-ZYHUDNBSSA-N -1 1 382.432 0.437 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571207639 953065483 /nfs/dbraw/zinc/06/54/83/953065483.db2.gz YSXYZRAWXYLLAV-CMPLNLGQSA-N -1 1 382.432 0.437 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571207639 953065485 /nfs/dbraw/zinc/06/54/85/953065485.db2.gz YSXYZRAWXYLLAV-CMPLNLGQSA-N -1 1 382.432 0.437 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)CCn2cccn2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571207681 953065904 /nfs/dbraw/zinc/06/59/04/953065904.db2.gz ZSCKXNZTSMDIBG-ZDUSSCGKSA-N -1 1 382.432 0.228 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)CCn2cccn2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571207681 953065908 /nfs/dbraw/zinc/06/59/08/953065908.db2.gz ZSCKXNZTSMDIBG-ZDUSSCGKSA-N -1 1 382.432 0.228 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cn1 ZINC001571207674 953066376 /nfs/dbraw/zinc/06/63/76/953066376.db2.gz ZOWQEKBLRJXNTC-AAEUAGOBSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cn1 ZINC001571207674 953066377 /nfs/dbraw/zinc/06/63/77/953066377.db2.gz ZOWQEKBLRJXNTC-AAEUAGOBSA-N -1 1 382.432 0.660 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571210362 953071375 /nfs/dbraw/zinc/07/13/75/953071375.db2.gz PSCRKVDVRCKMLP-HAQNSBGRSA-N -1 1 382.432 0.709 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571210362 953071379 /nfs/dbraw/zinc/07/13/79/953071379.db2.gz PSCRKVDVRCKMLP-HAQNSBGRSA-N -1 1 382.432 0.709 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571210200 953071444 /nfs/dbraw/zinc/07/14/44/953071444.db2.gz ODMLARUKTLOWRO-ZDUSSCGKSA-N -1 1 382.432 0.806 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571210200 953071447 /nfs/dbraw/zinc/07/14/47/953071447.db2.gz ODMLARUKTLOWRO-ZDUSSCGKSA-N -1 1 382.432 0.806 20 0 GCADMM O=C(Cc1cccs1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571210584 953072769 /nfs/dbraw/zinc/07/27/69/953072769.db2.gz SYTIKUSPOHAZBX-SMDDNHRTSA-N -1 1 382.453 0.998 20 0 GCADMM O=C(Cc1cccs1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571210584 953072772 /nfs/dbraw/zinc/07/27/72/953072772.db2.gz SYTIKUSPOHAZBX-SMDDNHRTSA-N -1 1 382.453 0.998 20 0 GCADMM Cc1ccnn1CC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571211424 953076187 /nfs/dbraw/zinc/07/61/87/953076187.db2.gz ALAOMMVNOZDXRM-UHFFFAOYSA-N -1 1 382.432 0.701 20 0 GCADMM Cc1ccnn1CC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571211424 953076192 /nfs/dbraw/zinc/07/61/92/953076192.db2.gz ALAOMMVNOZDXRM-UHFFFAOYSA-N -1 1 382.432 0.701 20 0 GCADMM Cn1cncc1CC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571211484 953077800 /nfs/dbraw/zinc/07/78/00/953077800.db2.gz BPJDDSPOBHGPDR-VXGBXAGGSA-N -1 1 382.432 0.330 20 0 GCADMM Cn1cncc1CC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571211484 953077805 /nfs/dbraw/zinc/07/78/05/953077805.db2.gz BPJDDSPOBHGPDR-VXGBXAGGSA-N -1 1 382.432 0.330 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571211649 953079222 /nfs/dbraw/zinc/07/92/22/953079222.db2.gz DWTJQORJCCUGNC-RYUDHWBXSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571211649 953079223 /nfs/dbraw/zinc/07/92/23/953079223.db2.gz DWTJQORJCCUGNC-RYUDHWBXSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)n(C)n1 ZINC001571211665 953079463 /nfs/dbraw/zinc/07/94/63/953079463.db2.gz FDWVSSJDTJGUCH-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)n(C)n1 ZINC001571211665 953079467 /nfs/dbraw/zinc/07/94/67/953079467.db2.gz FDWVSSJDTJGUCH-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cnn(CCC(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571211815 953081161 /nfs/dbraw/zinc/08/11/61/953081161.db2.gz GJXIGQQHJLRGNY-ZDUSSCGKSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1cnn(CCC(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571211815 953081166 /nfs/dbraw/zinc/08/11/66/953081166.db2.gz GJXIGQQHJLRGNY-ZDUSSCGKSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1C ZINC001571211837 953081326 /nfs/dbraw/zinc/08/13/26/953081326.db2.gz HBGJUUPCRBAGSW-JQWIXIFHSA-N -1 1 382.432 0.486 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)CC2(C)C)cn1 ZINC001571211860 953081385 /nfs/dbraw/zinc/08/13/85/953081385.db2.gz HOUZMHOAMOXXRP-GFCCVEGCSA-N -1 1 382.432 0.425 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)CC2(C)C)cn1 ZINC001571211860 953081389 /nfs/dbraw/zinc/08/13/89/953081389.db2.gz HOUZMHOAMOXXRP-GFCCVEGCSA-N -1 1 382.432 0.425 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571211809 953081743 /nfs/dbraw/zinc/08/17/43/953081743.db2.gz GGJICDUARLWRBM-BXKDBHETSA-N -1 1 382.432 0.959 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571211809 953081748 /nfs/dbraw/zinc/08/17/48/953081748.db2.gz GGJICDUARLWRBM-BXKDBHETSA-N -1 1 382.432 0.959 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571211812 953082006 /nfs/dbraw/zinc/08/20/06/953082006.db2.gz GGJICDUARLWRBM-SKDRFNHKSA-N -1 1 382.432 0.959 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571211812 953082009 /nfs/dbraw/zinc/08/20/09/953082009.db2.gz GGJICDUARLWRBM-SKDRFNHKSA-N -1 1 382.432 0.959 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571211910 953082754 /nfs/dbraw/zinc/08/27/54/953082754.db2.gz IKXJPPIYGJAZQP-UHFFFAOYSA-N -1 1 382.432 0.642 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571211910 953082759 /nfs/dbraw/zinc/08/27/59/953082759.db2.gz IKXJPPIYGJAZQP-UHFFFAOYSA-N -1 1 382.432 0.642 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571212122 953084435 /nfs/dbraw/zinc/08/44/35/953084435.db2.gz JCXRTAXLJIOROF-YPMHNXCESA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571212172 953084636 /nfs/dbraw/zinc/08/46/36/953084636.db2.gz KJWRRJCXFRBTDS-CMPLNLGQSA-N -1 1 382.432 0.722 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571212172 953084641 /nfs/dbraw/zinc/08/46/41/953084641.db2.gz KJWRRJCXFRBTDS-CMPLNLGQSA-N -1 1 382.432 0.722 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571212158 953084841 /nfs/dbraw/zinc/08/48/41/953084841.db2.gz KFODJLYFUITLTG-GFCCVEGCSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cc(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)cn1 ZINC001571212137 953085112 /nfs/dbraw/zinc/08/51/12/953085112.db2.gz JLKBJPRKMDNSOA-CYBMUJFWSA-N -1 1 382.432 0.569 20 0 GCADMM Cn1cc(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)cn1 ZINC001571212137 953085115 /nfs/dbraw/zinc/08/51/15/953085115.db2.gz JLKBJPRKMDNSOA-CYBMUJFWSA-N -1 1 382.432 0.569 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571212159 953085304 /nfs/dbraw/zinc/08/53/04/953085304.db2.gz KFODJLYFUITLTG-LBPRGKRZSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1nn(C)cc1CCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571212350 953087408 /nfs/dbraw/zinc/08/74/08/953087408.db2.gz MDHFXDUAQNPYQW-ZDUSSCGKSA-N -1 1 382.432 0.344 20 0 GCADMM Cc1nn(C)cc1CCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571212350 953087413 /nfs/dbraw/zinc/08/74/13/953087413.db2.gz MDHFXDUAQNPYQW-ZDUSSCGKSA-N -1 1 382.432 0.344 20 0 GCADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571212398 953087809 /nfs/dbraw/zinc/08/78/09/953087809.db2.gz NOIGERKNGZQLRN-SNVBAGLBSA-N -1 1 382.432 0.449 20 0 GCADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571212398 953087816 /nfs/dbraw/zinc/08/78/16/953087816.db2.gz NOIGERKNGZQLRN-SNVBAGLBSA-N -1 1 382.432 0.449 20 0 GCADMM Cn1cc(CCC(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571212401 953087830 /nfs/dbraw/zinc/08/78/30/953087830.db2.gz NWBNGQMWLTYWBO-ZDUSSCGKSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cc(CCC(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571212401 953087835 /nfs/dbraw/zinc/08/78/35/953087835.db2.gz NWBNGQMWLTYWBO-ZDUSSCGKSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571212400 953088082 /nfs/dbraw/zinc/08/80/82/953088082.db2.gz NTKONOPHVOCJGJ-LBPRGKRZSA-N -1 1 382.432 0.595 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571212383 953088223 /nfs/dbraw/zinc/08/82/23/953088223.db2.gz NDVWOAKTVMSJLZ-GFCCVEGCSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571212390 953088608 /nfs/dbraw/zinc/08/86/08/953088608.db2.gz NMQZFTGUVRTNLX-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571212390 953088612 /nfs/dbraw/zinc/08/86/12/953088612.db2.gz NMQZFTGUVRTNLX-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212688 953089601 /nfs/dbraw/zinc/08/96/01/953089601.db2.gz OGHIWTORMUFLLN-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212688 953089604 /nfs/dbraw/zinc/08/96/04/953089604.db2.gz OGHIWTORMUFLLN-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571212719 953090229 /nfs/dbraw/zinc/09/02/29/953090229.db2.gz OKWMNYNDSCOIPQ-TXEJJXNPSA-N -1 1 382.432 0.628 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571212719 953090231 /nfs/dbraw/zinc/09/02/31/953090231.db2.gz OKWMNYNDSCOIPQ-TXEJJXNPSA-N -1 1 382.432 0.628 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571212826 953090677 /nfs/dbraw/zinc/09/06/77/953090677.db2.gz PKZHZBWKJQTJPX-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571212826 953090679 /nfs/dbraw/zinc/09/06/79/953090679.db2.gz PKZHZBWKJQTJPX-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213130 953092241 /nfs/dbraw/zinc/09/22/41/953092241.db2.gz REMGJVLYBBLWMT-KRWDZBQOSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213130 953092243 /nfs/dbraw/zinc/09/22/43/953092243.db2.gz REMGJVLYBBLWMT-KRWDZBQOSA-N -1 1 382.432 0.663 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571213052 953092315 /nfs/dbraw/zinc/09/23/15/953092315.db2.gz QEZILWVFPVCRGG-NWDGAFQWSA-N -1 1 382.432 0.791 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571213052 953092318 /nfs/dbraw/zinc/09/23/18/953092318.db2.gz QEZILWVFPVCRGG-NWDGAFQWSA-N -1 1 382.432 0.791 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571213107 953092728 /nfs/dbraw/zinc/09/27/28/953092728.db2.gz QSYLHWDOHHRYNC-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571213107 953092731 /nfs/dbraw/zinc/09/27/31/953092731.db2.gz QSYLHWDOHHRYNC-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(CC(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571213159 953093241 /nfs/dbraw/zinc/09/32/41/953093241.db2.gz RMIWTTPMDIKDET-CYBMUJFWSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1cnn(CC(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571213159 953093244 /nfs/dbraw/zinc/09/32/44/953093244.db2.gz RMIWTTPMDIKDET-CYBMUJFWSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571213428 953094113 /nfs/dbraw/zinc/09/41/13/953094113.db2.gz SPWZNRMJDOXUJF-LBPRGKRZSA-N -1 1 382.432 0.961 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571213447 953095462 /nfs/dbraw/zinc/09/54/62/953095462.db2.gz TXOXCQJQTQJMET-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571213447 953095469 /nfs/dbraw/zinc/09/54/69/953095469.db2.gz TXOXCQJQTQJMET-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C(C)(C)C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571213822 953097409 /nfs/dbraw/zinc/09/74/09/953097409.db2.gz WXCDIIZRZSDQEH-LBPRGKRZSA-N -1 1 382.432 0.610 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)n(C)n1 ZINC001571213789 953097750 /nfs/dbraw/zinc/09/77/50/953097750.db2.gz VTGAVRPBLBWQDY-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)n(C)n1 ZINC001571213789 953097751 /nfs/dbraw/zinc/09/77/51/953097751.db2.gz VTGAVRPBLBWQDY-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571213887 953098277 /nfs/dbraw/zinc/09/82/77/953098277.db2.gz YCKLHKWBJHHKQN-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571213887 953098279 /nfs/dbraw/zinc/09/82/79/953098279.db2.gz YCKLHKWBJHHKQN-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571214127 953099479 /nfs/dbraw/zinc/09/94/79/953099479.db2.gz YJIMYSYCJLWCLX-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571214127 953099482 /nfs/dbraw/zinc/09/94/82/953099482.db2.gz YJIMYSYCJLWCLX-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1C ZINC001571214246 953100498 /nfs/dbraw/zinc/10/04/98/953100498.db2.gz ZQWQWOORCJFQNX-JQWIXIFHSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1C ZINC001571214246 953100500 /nfs/dbraw/zinc/10/05/00/953100500.db2.gz ZQWQWOORCJFQNX-JQWIXIFHSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1nn(C)cc1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571214277 953100526 /nfs/dbraw/zinc/10/05/26/953100526.db2.gz ZZYMJJWHXHDALH-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1C ZINC001571214244 953100743 /nfs/dbraw/zinc/10/07/43/953100743.db2.gz ZQWQWOORCJFQNX-CMPLNLGQSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1C ZINC001571214244 953100745 /nfs/dbraw/zinc/10/07/45/953100745.db2.gz ZQWQWOORCJFQNX-CMPLNLGQSA-N -1 1 382.432 0.804 20 0 GCADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)c1cncc(F)c1 ZINC001571216632 953102674 /nfs/dbraw/zinc/10/26/74/953102674.db2.gz AFRMEHUPPGAVIH-LBPRGKRZSA-N -1 1 383.391 0.836 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571216683 953103718 /nfs/dbraw/zinc/10/37/18/953103718.db2.gz BMGPBDBKTSCBHM-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571216683 953103719 /nfs/dbraw/zinc/10/37/19/953103719.db2.gz BMGPBDBKTSCBHM-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)Nc1ccc(=O)n(CCO)c1 ZINC001571217285 953107325 /nfs/dbraw/zinc/10/73/25/953107325.db2.gz DSEBMYGDSONZNZ-UHFFFAOYSA-N -1 1 382.793 0.775 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)c2cncc(F)c2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571217598 953109342 /nfs/dbraw/zinc/10/93/42/953109342.db2.gz OKGOPHFUKDWMCX-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)c2cncc(F)c2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571217598 953109343 /nfs/dbraw/zinc/10/93/43/953109343.db2.gz OKGOPHFUKDWMCX-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571218534 953116181 /nfs/dbraw/zinc/11/61/81/953116181.db2.gz WPZUNFWONIRBPJ-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571218534 953116183 /nfs/dbraw/zinc/11/61/83/953116183.db2.gz WPZUNFWONIRBPJ-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2cncc(F)c2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571218623 953117247 /nfs/dbraw/zinc/11/72/47/953117247.db2.gz XIRKJAAFBBPESL-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2cncc(F)c2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571218623 953117248 /nfs/dbraw/zinc/11/72/48/953117248.db2.gz XIRKJAAFBBPESL-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2ccncc2F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571218716 953117915 /nfs/dbraw/zinc/11/79/15/953117915.db2.gz ZNDBGALEXQAZPO-QWRGUYRKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2ccncc2F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571218716 953117918 /nfs/dbraw/zinc/11/79/18/953117918.db2.gz ZNDBGALEXQAZPO-QWRGUYRKSA-N -1 1 383.391 0.978 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571218932 953120872 /nfs/dbraw/zinc/12/08/72/953120872.db2.gz HKCHQWBJVLEVAX-KRWDZBQOSA-N -1 1 383.391 0.867 20 0 GCADMM C[C@]12CN(C(=O)c3cc(F)c[nH]3)C[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571219233 953124300 /nfs/dbraw/zinc/12/43/00/953124300.db2.gz MXNOHOHMTNBLRU-QGHHPUGFSA-N -1 1 383.391 0.722 20 0 GCADMM C[C@]12CN(C(=O)c3cc(F)c[nH]3)C[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571219233 953124305 /nfs/dbraw/zinc/12/43/05/953124305.db2.gz MXNOHOHMTNBLRU-QGHHPUGFSA-N -1 1 383.391 0.722 20 0 GCADMM CCc1ccc2c(c1)[C@@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CCO2 ZINC001571219981 953128535 /nfs/dbraw/zinc/12/85/35/953128535.db2.gz WBSPQDKXFHUWLF-LBPRGKRZSA-N -1 1 383.412 0.762 20 0 GCADMM COC(=O)c1occc1CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001571219951 953128600 /nfs/dbraw/zinc/12/86/00/953128600.db2.gz UTAYFPSOXUGIHN-UHFFFAOYSA-N -1 1 383.411 0.927 20 0 GCADMM O=C(Cc1ccc(F)cn1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571220152 953129377 /nfs/dbraw/zinc/12/93/77/953129377.db2.gz XZMWCYQMGMUYIA-CYBMUJFWSA-N -1 1 383.391 0.258 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ncoc2C)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571222169 953131672 /nfs/dbraw/zinc/13/16/72/953131672.db2.gz DNKSHWFIJQJEAK-NEPJUHHUSA-N -1 1 383.416 0.728 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)no1 ZINC001571222154 953131698 /nfs/dbraw/zinc/13/16/98/953131698.db2.gz DGRZHVPWYXYLHH-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)no1 ZINC001571222154 953131699 /nfs/dbraw/zinc/13/16/99/953131699.db2.gz DGRZHVPWYXYLHH-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CC[C@H]1CN(C(=O)c2ncoc2C)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571222170 953131714 /nfs/dbraw/zinc/13/17/14/953131714.db2.gz DNKSHWFIJQJEAK-NWDGAFQWSA-N -1 1 383.416 0.728 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnoc2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571222644 953136926 /nfs/dbraw/zinc/13/69/26/953136926.db2.gz KINZHWMRTBCKDJ-WCQYABFASA-N -1 1 383.416 0.206 20 0 GCADMM CCc1nc(C)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)o1 ZINC001571222724 953137613 /nfs/dbraw/zinc/13/76/13/953137613.db2.gz KGFHESVFCDWOTD-MNOVXSKESA-N -1 1 383.416 0.653 20 0 GCADMM CCc1ncoc1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571222756 953138681 /nfs/dbraw/zinc/13/86/81/953138681.db2.gz LCRXAYOOJMUUIS-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ncoc1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571222756 953138685 /nfs/dbraw/zinc/13/86/85/953138685.db2.gz LCRXAYOOJMUUIS-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCc1nc(C)c(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571222921 953140633 /nfs/dbraw/zinc/14/06/33/953140633.db2.gz NNZSOXYQLFXLEI-UHFFFAOYSA-N -1 1 383.416 0.653 20 0 GCADMM CCc1noc(C)c1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571223078 953141197 /nfs/dbraw/zinc/14/11/97/953141197.db2.gz QCOLMMPJQWITIG-UHFFFAOYSA-N -1 1 383.416 0.868 20 0 GCADMM CCc1noc(C)c1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571223078 953141199 /nfs/dbraw/zinc/14/11/99/953141199.db2.gz QCOLMMPJQWITIG-UHFFFAOYSA-N -1 1 383.416 0.868 20 0 GCADMM Cc1[nH]ccc1C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001571223271 953143373 /nfs/dbraw/zinc/14/33/73/953143373.db2.gz SCANCXXBPKNJSX-LBPRGKRZSA-N -1 1 383.416 0.319 20 0 GCADMM Cc1[nH]ccc1C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001571223271 953143377 /nfs/dbraw/zinc/14/33/77/953143377.db2.gz SCANCXXBPKNJSX-LBPRGKRZSA-N -1 1 383.416 0.319 20 0 GCADMM CCc1ocnc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571223523 953144948 /nfs/dbraw/zinc/14/49/48/953144948.db2.gz TZHQWBHSZKBFQU-GHMZBOCLSA-N -1 1 383.416 0.709 20 0 GCADMM CCc1ocnc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571223523 953144949 /nfs/dbraw/zinc/14/49/49/953144949.db2.gz TZHQWBHSZKBFQU-GHMZBOCLSA-N -1 1 383.416 0.709 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571223606 953146494 /nfs/dbraw/zinc/14/64/94/953146494.db2.gz XAYAWCMPKWVLPS-JQWIXIFHSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571223606 953146495 /nfs/dbraw/zinc/14/64/95/953146495.db2.gz XAYAWCMPKWVLPS-JQWIXIFHSA-N -1 1 383.416 0.994 20 0 GCADMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCc2ccon2)C1 ZINC001571223683 953146559 /nfs/dbraw/zinc/14/65/59/953146559.db2.gz SLOUHZVYXSBGFQ-QGZVFWFLSA-N -1 1 383.416 0.928 20 0 GCADMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCc2ccon2)C1 ZINC001571223683 953146561 /nfs/dbraw/zinc/14/65/61/953146561.db2.gz SLOUHZVYXSBGFQ-QGZVFWFLSA-N -1 1 383.416 0.928 20 0 GCADMM CCc1nc(C)c(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571223817 953146892 /nfs/dbraw/zinc/14/68/92/953146892.db2.gz XUFYQUBCXMCKJX-LLVKDONJSA-N -1 1 383.416 0.654 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571223845 953146923 /nfs/dbraw/zinc/14/69/23/953146923.db2.gz YIEIKEVLIAMTOU-JQWIXIFHSA-N -1 1 383.416 0.592 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571223778 953147181 /nfs/dbraw/zinc/14/71/81/953147181.db2.gz VGTCEUKLRYMQIC-WDEREUQCSA-N -1 1 383.416 0.782 20 0 GCADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571223768 953147255 /nfs/dbraw/zinc/14/72/55/953147255.db2.gz UUILDYLUCBUNJH-ZYHUDNBSSA-N -1 1 383.416 0.763 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571223913 953147561 /nfs/dbraw/zinc/14/75/61/953147561.db2.gz ZYJPXJCAVCKEIO-LBPRGKRZSA-N -1 1 383.416 0.852 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571223913 953147565 /nfs/dbraw/zinc/14/75/65/953147565.db2.gz ZYJPXJCAVCKEIO-LBPRGKRZSA-N -1 1 383.416 0.852 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@H](C)C2)co1 ZINC001571224092 953148342 /nfs/dbraw/zinc/14/83/42/953148342.db2.gz XYIVBIGQIWHTQF-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@H](C)C2)co1 ZINC001571224092 953148347 /nfs/dbraw/zinc/14/83/47/953148347.db2.gz XYIVBIGQIWHTQF-MNOVXSKESA-N -1 1 383.416 0.994 20 0 GCADMM CCCc1nc(C)c(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571224144 953149228 /nfs/dbraw/zinc/14/92/28/953149228.db2.gz ZDQJWFRXNMKDIR-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCCc1nc(C)c(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571224144 953149230 /nfs/dbraw/zinc/14/92/30/953149230.db2.gz ZDQJWFRXNMKDIR-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)no1 ZINC001571224170 953149642 /nfs/dbraw/zinc/14/96/42/953149642.db2.gz ZXEPTNVTYHVJJJ-ZYHUDNBSSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)no1 ZINC001571224170 953149644 /nfs/dbraw/zinc/14/96/44/953149644.db2.gz ZXEPTNVTYHVJJJ-ZYHUDNBSSA-N -1 1 383.416 0.994 20 0 GCADMM Cc1nc(C(=O)NC[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C)co1 ZINC001571224700 953150445 /nfs/dbraw/zinc/15/04/45/953150445.db2.gz DGXGHOAKTYXRTI-BXKDBHETSA-N -1 1 383.416 0.764 20 0 GCADMM Cc1nc(C(=O)NC[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C)co1 ZINC001571224700 953150447 /nfs/dbraw/zinc/15/04/47/953150447.db2.gz DGXGHOAKTYXRTI-BXKDBHETSA-N -1 1 383.416 0.764 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C)o1 ZINC001571224766 953151440 /nfs/dbraw/zinc/15/14/40/953151440.db2.gz FQYIXRLDMARWOS-AMIZOPFISA-N -1 1 383.416 0.825 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C)o1 ZINC001571224766 953151441 /nfs/dbraw/zinc/15/14/41/953151441.db2.gz FQYIXRLDMARWOS-AMIZOPFISA-N -1 1 383.416 0.825 20 0 GCADMM Cc1c[nH]cc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571225290 953152755 /nfs/dbraw/zinc/15/27/55/953152755.db2.gz JJOWATGCXYCHMG-LBPRGKRZSA-N -1 1 383.416 0.319 20 0 GCADMM Cc1c[nH]cc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571225290 953152758 /nfs/dbraw/zinc/15/27/58/953152758.db2.gz JJOWATGCXYCHMG-LBPRGKRZSA-N -1 1 383.416 0.319 20 0 GCADMM Cc1noc(C)c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571225912 953154595 /nfs/dbraw/zinc/15/45/95/953154595.db2.gz OEWBKGIXXKKATK-JOYOIKCWSA-N -1 1 383.416 0.789 20 0 GCADMM Cc1cc(CCC(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)no1 ZINC001571226920 953157388 /nfs/dbraw/zinc/15/73/88/953157388.db2.gz WZUHRRRCDCSBMS-ZDUSSCGKSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1cc(CCC(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)no1 ZINC001571226920 953157389 /nfs/dbraw/zinc/15/73/89/953157389.db2.gz WZUHRRRCDCSBMS-ZDUSSCGKSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)no1 ZINC001571227130 953158218 /nfs/dbraw/zinc/15/82/18/953158218.db2.gz ZKQFAQFFSSMJCR-CMPLNLGQSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)no1 ZINC001571227130 953158220 /nfs/dbraw/zinc/15/82/20/953158220.db2.gz ZKQFAQFFSSMJCR-CMPLNLGQSA-N -1 1 383.416 0.669 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CC[C@H](C)N(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571227783 953159788 /nfs/dbraw/zinc/15/97/88/953159788.db2.gz BXJRWNMPPFSBLP-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CC[C@H](C)N(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571227783 953159791 /nfs/dbraw/zinc/15/97/91/953159791.db2.gz BXJRWNMPPFSBLP-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM O=C(CCc1ccon1)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571227880 953160731 /nfs/dbraw/zinc/16/07/31/953160731.db2.gz FBVFNRDBALMVPQ-GFCCVEGCSA-N -1 1 383.416 0.928 20 0 GCADMM O=C(CCc1ccon1)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571227880 953160734 /nfs/dbraw/zinc/16/07/34/953160734.db2.gz FBVFNRDBALMVPQ-GFCCVEGCSA-N -1 1 383.416 0.928 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571227866 953160968 /nfs/dbraw/zinc/16/09/68/953160968.db2.gz DRGPZICQAGMQEK-QGZVFWFLSA-N -1 1 383.416 0.074 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571227866 953160970 /nfs/dbraw/zinc/16/09/70/953160970.db2.gz DRGPZICQAGMQEK-QGZVFWFLSA-N -1 1 383.416 0.074 20 0 GCADMM CCCn1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228073 953161724 /nfs/dbraw/zinc/16/17/24/953161724.db2.gz HMTUGJZEWJDPNN-LLVKDONJSA-N -1 1 383.420 0.057 20 0 GCADMM CCCn1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228073 953161725 /nfs/dbraw/zinc/16/17/25/953161725.db2.gz HMTUGJZEWJDPNN-LLVKDONJSA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)NC2CC(CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228054 953161866 /nfs/dbraw/zinc/16/18/66/953161866.db2.gz GZRAVPMYEUOHON-UHFFFAOYSA-N -1 1 383.420 0.197 20 0 GCADMM CCn1cc(C(=O)NC2CC(CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228054 953161869 /nfs/dbraw/zinc/16/18/69/953161869.db2.gz GZRAVPMYEUOHON-UHFFFAOYSA-N -1 1 383.420 0.197 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)nn1 ZINC001571228168 953162501 /nfs/dbraw/zinc/16/25/01/953162501.db2.gz JXQLLXGFMDONCJ-GHMZBOCLSA-N -1 1 383.420 0.231 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)nn1 ZINC001571228168 953162502 /nfs/dbraw/zinc/16/25/02/953162502.db2.gz JXQLLXGFMDONCJ-GHMZBOCLSA-N -1 1 383.420 0.231 20 0 GCADMM CCn1nc(C)c(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571228275 953163538 /nfs/dbraw/zinc/16/35/38/953163538.db2.gz MFLUGAKERMGSOT-NSHDSACASA-N -1 1 383.420 0.293 20 0 GCADMM CCn1nc(C)c(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228275 953163540 /nfs/dbraw/zinc/16/35/40/953163540.db2.gz MFLUGAKERMGSOT-NSHDSACASA-N -1 1 383.420 0.293 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCN2C(=O)c2nc[nH]n2)n1 ZINC001571228516 953164518 /nfs/dbraw/zinc/16/45/18/953164518.db2.gz QGWUVSISSCGGTD-JTQLQIEISA-N -1 1 383.420 0.078 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001571228563 953165424 /nfs/dbraw/zinc/16/54/24/953165424.db2.gz RWGRQRHWIRMCSM-JTQLQIEISA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001571228563 953165426 /nfs/dbraw/zinc/16/54/26/953165426.db2.gz RWGRQRHWIRMCSM-JTQLQIEISA-N -1 1 383.420 0.138 20 0 GCADMM O=C(CCc1ccon1)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571228643 953165796 /nfs/dbraw/zinc/16/57/96/953165796.db2.gz UMVCUKCCXSJMFS-LBPRGKRZSA-N -1 1 383.416 0.350 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571229076 953167629 /nfs/dbraw/zinc/16/76/29/953167629.db2.gz ZMTSNGYRVZBZAS-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571229076 953167634 /nfs/dbraw/zinc/16/76/34/953167634.db2.gz ZMTSNGYRVZBZAS-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571229068 953167887 /nfs/dbraw/zinc/16/78/87/953167887.db2.gz ZGIFMNHRJSOLRY-GHMZBOCLSA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571229094 953168677 /nfs/dbraw/zinc/16/86/77/953168677.db2.gz ZYCRKKKMFKHXIR-MNOVXSKESA-N -1 1 383.420 0.088 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571229094 953168678 /nfs/dbraw/zinc/16/86/78/953168678.db2.gz ZYCRKKKMFKHXIR-MNOVXSKESA-N -1 1 383.420 0.088 20 0 GCADMM Cn1nncc1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571229417 953169181 /nfs/dbraw/zinc/16/91/81/953169181.db2.gz DQCQFAYRRYXPNF-NSHDSACASA-N -1 1 383.420 0.282 20 0 GCADMM Cn1nncc1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571229417 953169183 /nfs/dbraw/zinc/16/91/83/953169183.db2.gz DQCQFAYRRYXPNF-NSHDSACASA-N -1 1 383.420 0.282 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)c3cnn(C)n3)CC2)n1 ZINC001571229547 953170669 /nfs/dbraw/zinc/17/06/69/953170669.db2.gz IIEIXEKIBNAIDG-UHFFFAOYSA-N -1 1 383.420 0.058 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)c3cnn(C)n3)CC2)n1 ZINC001571229547 953170670 /nfs/dbraw/zinc/17/06/70/953170670.db2.gz IIEIXEKIBNAIDG-UHFFFAOYSA-N -1 1 383.420 0.058 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571229545 953170719 /nfs/dbraw/zinc/17/07/19/953170719.db2.gz IFKOIEVFQPXITC-MWLCHTKSSA-N -1 1 383.420 0.497 20 0 GCADMM Cc1c(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nnn1C(C)C ZINC001571229518 953170887 /nfs/dbraw/zinc/17/08/87/953170887.db2.gz HOJDPDQPYIGULR-NSHDSACASA-N -1 1 383.420 0.464 20 0 GCADMM Cc1c(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nnn1C(C)C ZINC001571229518 953170889 /nfs/dbraw/zinc/17/08/89/953170889.db2.gz HOJDPDQPYIGULR-NSHDSACASA-N -1 1 383.420 0.464 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571229752 953171422 /nfs/dbraw/zinc/17/14/22/953171422.db2.gz MDXMCJKYVXLGQV-NSHDSACASA-N -1 1 383.420 0.140 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571229752 953171424 /nfs/dbraw/zinc/17/14/24/953171424.db2.gz MDXMCJKYVXLGQV-NSHDSACASA-N -1 1 383.420 0.140 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)n1 ZINC001571230239 953175029 /nfs/dbraw/zinc/17/50/29/953175029.db2.gz BAFLIOGGLQKKFS-BREBYQMCSA-N -1 1 383.441 0.961 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cscn2)C3)n1 ZINC001571230239 953175031 /nfs/dbraw/zinc/17/50/31/953175031.db2.gz BAFLIOGGLQKKFS-BREBYQMCSA-N -1 1 383.441 0.961 20 0 GCADMM Cn1ncc(C(=O)N2CCC(CCNc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571230322 953176174 /nfs/dbraw/zinc/17/61/74/953176174.db2.gz UWZJFRCWHVVNRL-UHFFFAOYSA-N -1 1 383.420 0.140 20 0 GCADMM Cn1ncc(C(=O)N2CCC(CCNc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571230322 953176177 /nfs/dbraw/zinc/17/61/77/953176177.db2.gz UWZJFRCWHVVNRL-UHFFFAOYSA-N -1 1 383.420 0.140 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3cnn(C)n3)CC2(C)C)n1 ZINC001571230676 953179131 /nfs/dbraw/zinc/17/91/31/953179131.db2.gz ZLARHLAVQIGRPI-GFCCVEGCSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3cnn(C)n3)CC2(C)C)n1 ZINC001571230676 953179132 /nfs/dbraw/zinc/17/91/32/953179132.db2.gz ZLARHLAVQIGRPI-GFCCVEGCSA-N -1 1 383.420 0.056 20 0 GCADMM O=C(c1cncs1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571231107 953183157 /nfs/dbraw/zinc/18/31/57/953183157.db2.gz SFWLFWCIDHEBHZ-MNOVXSKESA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1ccns1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571231223 953184192 /nfs/dbraw/zinc/18/41/92/953184192.db2.gz VOZJFAPKBTUYDC-VXGBXAGGSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1ccns1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571231223 953184193 /nfs/dbraw/zinc/18/41/93/953184193.db2.gz VOZJFAPKBTUYDC-VXGBXAGGSA-N -1 1 383.441 0.997 20 0 GCADMM C[C@H]1C[C@@H]1C(=O)N1CCN([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571233703 953195288 /nfs/dbraw/zinc/19/52/88/953195288.db2.gz BELBNFONOXHYHN-IHRRRGAJSA-N -1 1 383.460 0.036 20 0 GCADMM C[C@H]1C[C@@H]1C(=O)N1CCN([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571233703 953195289 /nfs/dbraw/zinc/19/52/89/953195289.db2.gz BELBNFONOXHYHN-IHRRRGAJSA-N -1 1 383.460 0.036 20 0 GCADMM O=C1OCC[C@]12CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC001571234733 953205122 /nfs/dbraw/zinc/20/51/22/953205122.db2.gz HEWKOKFVVJJISN-AWEZNQCLSA-N -1 1 383.817 0.848 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cccc(F)c1 ZINC001571234747 953205459 /nfs/dbraw/zinc/20/54/59/953205459.db2.gz HUGJLQNOWGYGLK-CHWSQXEVSA-N -1 1 384.375 0.429 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cccc(F)c1 ZINC001571234747 953205461 /nfs/dbraw/zinc/20/54/61/953205461.db2.gz HUGJLQNOWGYGLK-CHWSQXEVSA-N -1 1 384.375 0.429 20 0 GCADMM COc1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1F ZINC001571234961 953206923 /nfs/dbraw/zinc/20/69/23/953206923.db2.gz OCSPEQHXRMVRSR-JTQLQIEISA-N -1 1 384.375 0.813 20 0 GCADMM COc1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1F ZINC001571234961 953206924 /nfs/dbraw/zinc/20/69/24/953206924.db2.gz OCSPEQHXRMVRSR-JTQLQIEISA-N -1 1 384.375 0.813 20 0 GCADMM COC(=O)c1ccc(NCc2cn(C3CC3)c(=O)[nH]c2=O)c(-c2nnn[n-]2)n1 ZINC001571234917 953207207 /nfs/dbraw/zinc/20/72/07/953207207.db2.gz MUDXCKWKZOTZCF-UHFFFAOYSA-N -1 1 384.356 0.258 20 0 GCADMM COC(=O)c1ccc(NCc2cn(C3CC3)c(=O)[nH]c2=O)c(-c2nn[n-]n2)n1 ZINC001571234917 953207210 /nfs/dbraw/zinc/20/72/10/953207210.db2.gz MUDXCKWKZOTZCF-UHFFFAOYSA-N -1 1 384.356 0.258 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)cc1F ZINC001571235536 953213589 /nfs/dbraw/zinc/21/35/89/953213589.db2.gz HQBWUMFLTNGOEC-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1F ZINC001571235536 953213591 /nfs/dbraw/zinc/21/35/91/953213591.db2.gz HQBWUMFLTNGOEC-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)Cc1occc1C ZINC001571235629 953214607 /nfs/dbraw/zinc/21/46/07/953214607.db2.gz LISDLPXJVQEGPS-DGCLKSJQSA-N -1 1 384.400 0.121 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)[C@@H](F)c1ccccc1 ZINC001571236188 953216510 /nfs/dbraw/zinc/21/65/10/953216510.db2.gz ULZAXDTZUOLYNA-UPJWGTAASA-N -1 1 384.375 0.033 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)[C@@H](F)c1ccccc1 ZINC001571236188 953216514 /nfs/dbraw/zinc/21/65/14/953216514.db2.gz ULZAXDTZUOLYNA-UPJWGTAASA-N -1 1 384.375 0.033 20 0 GCADMM CCc1nc(C)ncc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571237020 953219641 /nfs/dbraw/zinc/21/96/41/953219641.db2.gz FJMAOSZMJTYSHQ-UHFFFAOYSA-N -1 1 384.404 0.340 20 0 GCADMM CCc1nc(C)ncc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571237020 953219645 /nfs/dbraw/zinc/21/96/45/953219645.db2.gz FJMAOSZMJTYSHQ-UHFFFAOYSA-N -1 1 384.404 0.340 20 0 GCADMM Cc1ccc([C@@H](C)C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)o1 ZINC001571236999 953219746 /nfs/dbraw/zinc/21/97/46/953219746.db2.gz FAAZZESITSAQMW-RTXFEEFZSA-N -1 1 384.400 0.028 20 0 GCADMM Cc1ccc([C@@H](C)C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)o1 ZINC001571236999 953219748 /nfs/dbraw/zinc/21/97/48/953219748.db2.gz FAAZZESITSAQMW-RTXFEEFZSA-N -1 1 384.400 0.028 20 0 GCADMM CC[C@@H]1CN(C(=O)c2nonc2C)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571237151 953220462 /nfs/dbraw/zinc/22/04/62/953220462.db2.gz FWQJZDDDJXHAJK-GHMZBOCLSA-N -1 1 384.404 0.701 20 0 GCADMM CC[C@@H]1CN(C(=O)c2nonc2C)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571237151 953220466 /nfs/dbraw/zinc/22/04/66/953220466.db2.gz FWQJZDDDJXHAJK-GHMZBOCLSA-N -1 1 384.404 0.701 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571237695 953223135 /nfs/dbraw/zinc/22/31/35/953223135.db2.gz MAAIQQSLZJJPDD-GHMZBOCLSA-N -1 1 384.400 0.691 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237912 953223772 /nfs/dbraw/zinc/22/37/72/953223772.db2.gz NUCOAERLNZMFGE-WCQYABFASA-N -1 1 384.400 0.900 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237912 953223774 /nfs/dbraw/zinc/22/37/74/953223774.db2.gz NUCOAERLNZMFGE-WCQYABFASA-N -1 1 384.400 0.900 20 0 GCADMM Cn1c(=O)[nH]c(Nc2cccc(CN3CCOCC3)c2)c(-c2nnn[n-]2)c1=O ZINC001571237984 953223790 /nfs/dbraw/zinc/22/37/90/953223790.db2.gz PWCSBNUXVPGMML-UHFFFAOYSA-N -1 1 384.400 0.242 20 0 GCADMM COc1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571238222 953226655 /nfs/dbraw/zinc/22/66/55/953226655.db2.gz WZMAFXZFLXGMSN-WDEREUQCSA-N -1 1 384.400 0.691 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)Cc2nonc2C)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571238319 953228471 /nfs/dbraw/zinc/22/84/71/953228471.db2.gz ZOHIVNCAYKHYMN-GXFFZTMASA-N -1 1 384.404 0.064 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)Cc2nonc2C)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571238319 953228472 /nfs/dbraw/zinc/22/84/72/953228472.db2.gz ZOHIVNCAYKHYMN-GXFFZTMASA-N -1 1 384.404 0.064 20 0 GCADMM Cn1c(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c[nH]c1=O ZINC001571238398 953229249 /nfs/dbraw/zinc/22/92/49/953229249.db2.gz BJBPDRCRMMBJIB-JTQLQIEISA-N -1 1 384.404 0.060 20 0 GCADMM Cn1c(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c[nH]c1=O ZINC001571238398 953229251 /nfs/dbraw/zinc/22/92/51/953229251.db2.gz BJBPDRCRMMBJIB-JTQLQIEISA-N -1 1 384.404 0.060 20 0 GCADMM COc1c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571238531 953229836 /nfs/dbraw/zinc/22/98/36/953229836.db2.gz GBYDAAIDZJBRSU-MGCOHNPYSA-N -1 1 384.404 0.019 20 0 GCADMM COc1c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571238531 953229839 /nfs/dbraw/zinc/22/98/39/953229839.db2.gz GBYDAAIDZJBRSU-MGCOHNPYSA-N -1 1 384.404 0.019 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC([C@@H](C)NC(=O)c3cnon3)CC2)n1 ZINC001571238485 953229924 /nfs/dbraw/zinc/22/99/24/953229924.db2.gz DWOPOQFKFYRFCN-SNVBAGLBSA-N -1 1 384.404 0.383 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC([C@@H](C)NC(=O)c3cnon3)CC2)n1 ZINC001571238485 953229925 /nfs/dbraw/zinc/22/99/25/953229925.db2.gz DWOPOQFKFYRFCN-SNVBAGLBSA-N -1 1 384.404 0.383 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571238643 953231639 /nfs/dbraw/zinc/23/16/39/953231639.db2.gz JEZIDQOCSOQOEC-SNVBAGLBSA-N -1 1 384.404 0.501 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571238643 953231642 /nfs/dbraw/zinc/23/16/42/953231642.db2.gz JEZIDQOCSOQOEC-SNVBAGLBSA-N -1 1 384.404 0.501 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571238725 953232079 /nfs/dbraw/zinc/23/20/79/953232079.db2.gz LMAXUVSHPGOYCU-UHFFFAOYSA-N -1 1 384.404 0.501 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571238725 953232083 /nfs/dbraw/zinc/23/20/83/953232083.db2.gz LMAXUVSHPGOYCU-UHFFFAOYSA-N -1 1 384.404 0.501 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239023 953235122 /nfs/dbraw/zinc/23/51/22/953235122.db2.gz PFDKEOTWQFFRDV-SCZZXKLOSA-N -1 1 384.404 0.181 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239023 953235124 /nfs/dbraw/zinc/23/51/24/953235124.db2.gz PFDKEOTWQFFRDV-SCZZXKLOSA-N -1 1 384.404 0.181 20 0 GCADMM Cc1nc(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571239135 953236338 /nfs/dbraw/zinc/23/63/38/953236338.db2.gz QZFMHBHQRHBBPC-NSHDSACASA-N -1 1 384.404 0.031 20 0 GCADMM COc1cc(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1C ZINC001571239280 953238016 /nfs/dbraw/zinc/23/80/16/953238016.db2.gz SCBDVDFPPIUXKM-UHFFFAOYSA-N -1 1 384.404 0.019 20 0 GCADMM COc1cc(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1C ZINC001571239280 953238019 /nfs/dbraw/zinc/23/80/19/953238019.db2.gz SCBDVDFPPIUXKM-UHFFFAOYSA-N -1 1 384.404 0.019 20 0 GCADMM Cc1nonc1C(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571239338 953238095 /nfs/dbraw/zinc/23/80/95/953238095.db2.gz UFLBCKKUYADAPI-WDEREUQCSA-N -1 1 384.404 0.749 20 0 GCADMM Cc1nonc1C(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571239338 953238097 /nfs/dbraw/zinc/23/80/97/953238097.db2.gz UFLBCKKUYADAPI-WDEREUQCSA-N -1 1 384.404 0.749 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571239287 953238283 /nfs/dbraw/zinc/23/82/83/953238283.db2.gz SKBNZAUASPJHES-LBPRGKRZSA-N -1 1 384.404 0.240 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571239287 953238285 /nfs/dbraw/zinc/23/82/85/953238285.db2.gz SKBNZAUASPJHES-LBPRGKRZSA-N -1 1 384.404 0.240 20 0 GCADMM Cc1nonc1CC(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239512 953240418 /nfs/dbraw/zinc/24/04/18/953240418.db2.gz VVSRNVLHGHROGV-MNOVXSKESA-N -1 1 384.404 0.430 20 0 GCADMM Cc1nonc1CC(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239512 953240422 /nfs/dbraw/zinc/24/04/22/953240422.db2.gz VVSRNVLHGHROGV-MNOVXSKESA-N -1 1 384.404 0.430 20 0 GCADMM COc1nn(C)cc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571239804 953243060 /nfs/dbraw/zinc/24/30/60/953243060.db2.gz YJWFPHAUHBLCRP-JTQLQIEISA-N -1 1 384.404 0.116 20 0 GCADMM COc1nn(C)cc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571239804 953243063 /nfs/dbraw/zinc/24/30/63/953243063.db2.gz YJWFPHAUHBLCRP-JTQLQIEISA-N -1 1 384.404 0.116 20 0 GCADMM Cc1nnc(CC(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571239827 953243116 /nfs/dbraw/zinc/24/31/16/953243116.db2.gz YZFLNYWLGYQYFT-WDEREUQCSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nnc(CC(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571239827 953243117 /nfs/dbraw/zinc/24/31/17/953243117.db2.gz YZFLNYWLGYQYFT-WDEREUQCSA-N -1 1 384.404 0.288 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1snnc1C1CC1 ZINC001571241782 953249358 /nfs/dbraw/zinc/24/93/58/953249358.db2.gz LJNBBIGMMABNPE-DTORHVGOSA-N -1 1 384.429 0.759 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1snnc1C1CC1 ZINC001571241782 953249359 /nfs/dbraw/zinc/24/93/59/953249359.db2.gz LJNBBIGMMABNPE-DTORHVGOSA-N -1 1 384.429 0.759 20 0 GCADMM O=C(c1cnsn1)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571241769 953249855 /nfs/dbraw/zinc/24/98/55/953249855.db2.gz KZNXAAZJLNOFGI-KOLCDFICSA-N -1 1 384.429 0.249 20 0 GCADMM COc1ccsc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571241843 953250753 /nfs/dbraw/zinc/25/07/53/953250753.db2.gz MWURTRXSSRRXLN-UWVGGRQHSA-N -1 1 384.425 0.830 20 0 GCADMM COc1ccsc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571241843 953250756 /nfs/dbraw/zinc/25/07/56/953250756.db2.gz MWURTRXSSRRXLN-UWVGGRQHSA-N -1 1 384.425 0.830 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1csnn1 ZINC001571242224 953254546 /nfs/dbraw/zinc/25/45/46/953254546.db2.gz WZJMZIQCAALTLL-PBINXNQUSA-N -1 1 384.429 0.438 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1csnn1 ZINC001571242224 953254547 /nfs/dbraw/zinc/25/45/47/953254547.db2.gz WZJMZIQCAALTLL-PBINXNQUSA-N -1 1 384.429 0.438 20 0 GCADMM CC1(C)CO[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)C1 ZINC001571242259 953254793 /nfs/dbraw/zinc/25/47/93/953254793.db2.gz CLGASGZPGQULMZ-AVGNSLFASA-N -1 1 384.444 0.651 20 0 GCADMM CC1(C)CO[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)C1 ZINC001571242259 953254799 /nfs/dbraw/zinc/25/47/99/953254799.db2.gz CLGASGZPGQULMZ-AVGNSLFASA-N -1 1 384.444 0.651 20 0 GCADMM CO[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001571242367 953255307 /nfs/dbraw/zinc/25/53/07/953255307.db2.gz DPBRGXNGIPUUBY-XEZPLFJOSA-N -1 1 384.444 0.651 20 0 GCADMM CO[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001571242367 953255311 /nfs/dbraw/zinc/25/53/11/953255311.db2.gz DPBRGXNGIPUUBY-XEZPLFJOSA-N -1 1 384.444 0.651 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)c1cnsn1 ZINC001571242347 953255535 /nfs/dbraw/zinc/25/55/35/953255535.db2.gz ZTGMYYXQPMZNEK-AEJSXWLSSA-N -1 1 384.429 0.296 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)c1cnsn1 ZINC001571242347 953255537 /nfs/dbraw/zinc/25/55/37/953255537.db2.gz ZTGMYYXQPMZNEK-AEJSXWLSSA-N -1 1 384.429 0.296 20 0 GCADMM CCOC1CC(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571242321 953255612 /nfs/dbraw/zinc/25/56/12/953255612.db2.gz DFEBJVAGYHMPFJ-QPPOZKHWSA-N -1 1 384.444 0.651 20 0 GCADMM CO[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CC1 ZINC001571242381 953256007 /nfs/dbraw/zinc/25/60/07/953256007.db2.gz DYNVWVKWPPNOFW-WWGRRREGSA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CC1 ZINC001571242381 953256008 /nfs/dbraw/zinc/25/60/08/953256008.db2.gz DYNVWVKWPPNOFW-WWGRRREGSA-N -1 1 384.444 0.366 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001571242433 953256348 /nfs/dbraw/zinc/25/63/48/953256348.db2.gz GBVQAWMOCQYCHE-SGTLLEGYSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001571242433 953256350 /nfs/dbraw/zinc/25/63/50/953256350.db2.gz GBVQAWMOCQYCHE-SGTLLEGYSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001571242434 953256468 /nfs/dbraw/zinc/25/64/68/953256468.db2.gz GBVQAWMOCQYCHE-XIKOKIGWSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001571242434 953256471 /nfs/dbraw/zinc/25/64/71/953256471.db2.gz GBVQAWMOCQYCHE-XIKOKIGWSA-N -1 1 384.444 0.876 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@@]3(C)C2)CCOC1 ZINC001571242383 953256571 /nfs/dbraw/zinc/25/65/71/953256571.db2.gz FDPCZAIZWBUCCN-UUWFMWQGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@@]3(C)C2)CCOC1 ZINC001571242383 953256573 /nfs/dbraw/zinc/25/65/73/953256573.db2.gz FDPCZAIZWBUCCN-UUWFMWQGSA-N -1 1 384.444 0.368 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nnn[n-]2)n1 ZINC001571242551 953257964 /nfs/dbraw/zinc/25/79/64/953257964.db2.gz ITQVVYFLUMKPRK-BGCDDMGFSA-N -1 1 384.444 0.513 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nn[n-]n2)n1 ZINC001571242551 953257969 /nfs/dbraw/zinc/25/79/69/953257969.db2.gz ITQVVYFLUMKPRK-BGCDDMGFSA-N -1 1 384.444 0.513 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nnn[n-]2)n1 ZINC001571242618 953258380 /nfs/dbraw/zinc/25/83/80/953258380.db2.gz KHUCGXKZEPFVLZ-YMEQNVIZSA-N -1 1 384.444 0.372 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nn[n-]n2)n1 ZINC001571242618 953258385 /nfs/dbraw/zinc/25/83/85/953258385.db2.gz KHUCGXKZEPFVLZ-YMEQNVIZSA-N -1 1 384.444 0.372 20 0 GCADMM C[C@@]12CN(C(=O)[C@H]3CCCO3)C[C@]1(C)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571242642 953258642 /nfs/dbraw/zinc/25/86/42/953258642.db2.gz KTAISMLIVISYSU-XWIAVFTESA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@]12CN(C(=O)[C@H]3CCCO3)C[C@]1(C)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571242642 953258643 /nfs/dbraw/zinc/25/86/43/953258643.db2.gz KTAISMLIVISYSU-XWIAVFTESA-N -1 1 384.444 0.511 20 0 GCADMM CO[C@H]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571242850 953260365 /nfs/dbraw/zinc/26/03/65/953260365.db2.gz PMCZZQMTQRZBND-COMQUAJESA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@H]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571242850 953260368 /nfs/dbraw/zinc/26/03/68/953260368.db2.gz PMCZZQMTQRZBND-COMQUAJESA-N -1 1 384.444 0.366 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571242831 953260520 /nfs/dbraw/zinc/26/05/20/953260520.db2.gz OWZCKHSMBGIEGR-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571242831 953260522 /nfs/dbraw/zinc/26/05/22/953260522.db2.gz OWZCKHSMBGIEGR-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571242906 953261302 /nfs/dbraw/zinc/26/13/02/953261302.db2.gz QUPKDILUOMELPT-RFHZTLPTSA-N -1 1 384.444 0.873 20 0 GCADMM CC1(C)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571242906 953261304 /nfs/dbraw/zinc/26/13/04/953261304.db2.gz QUPKDILUOMELPT-RFHZTLPTSA-N -1 1 384.444 0.873 20 0 GCADMM CC1(C(=O)N2CC[C@@]3(C2)CN(c2cncc(-c4nnn[n-]4)n2)CCO3)CCC1 ZINC001571243036 953262393 /nfs/dbraw/zinc/26/23/93/953262393.db2.gz ULGZGENRFPMHIG-SFHVURJKSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CC[C@@]3(C2)CN(c2cncc(-c4nn[n-]n4)n2)CCO3)CCC1 ZINC001571243036 953262396 /nfs/dbraw/zinc/26/23/96/953262396.db2.gz ULGZGENRFPMHIG-SFHVURJKSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC001571243045 953262663 /nfs/dbraw/zinc/26/26/63/953262663.db2.gz UOEAPYOKMVXRLX-OCCSQVGLSA-N -1 1 384.444 0.464 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC001571243043 953262822 /nfs/dbraw/zinc/26/28/22/953262822.db2.gz UOEAPYOKMVXRLX-GXTWGEPZSA-N -1 1 384.444 0.464 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)[C@]23C[C@H]2COC3)n1 ZINC001571243095 953262830 /nfs/dbraw/zinc/26/28/30/953262830.db2.gz VZOBGKQDMLIGLZ-JCGVRSQUSA-N -1 1 384.444 0.429 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)[C@]23C[C@H]2COC3)n1 ZINC001571243095 953262831 /nfs/dbraw/zinc/26/28/31/953262831.db2.gz VZOBGKQDMLIGLZ-JCGVRSQUSA-N -1 1 384.444 0.429 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001571243110 953263297 /nfs/dbraw/zinc/26/32/97/953263297.db2.gz WNUMESWCWGTEMM-NFAWXSAZSA-N -1 1 384.444 0.651 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001571243110 953263301 /nfs/dbraw/zinc/26/33/01/953263301.db2.gz WNUMESWCWGTEMM-NFAWXSAZSA-N -1 1 384.444 0.651 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCO[C@@H]2C)n1 ZINC001571243105 953263328 /nfs/dbraw/zinc/26/33/28/953263328.db2.gz WGCUCJPAGGKFNU-YIYPIFLZSA-N -1 1 384.444 0.570 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCO[C@@H]2C)n1 ZINC001571243105 953263331 /nfs/dbraw/zinc/26/33/31/953263331.db2.gz WGCUCJPAGGKFNU-YIYPIFLZSA-N -1 1 384.444 0.570 20 0 GCADMM C[C@H]1C[C@@H]1C(=O)N1CCOC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571243133 953263572 /nfs/dbraw/zinc/26/35/72/953263572.db2.gz WVWDWIAKCGPZLU-STQMWFEESA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1C[C@@H]1C(=O)N1CCOC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571243133 953263574 /nfs/dbraw/zinc/26/35/74/953263574.db2.gz WVWDWIAKCGPZLU-STQMWFEESA-N -1 1 384.444 0.511 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCOC2)C3)n1 ZINC001571243196 953264353 /nfs/dbraw/zinc/26/43/53/953264353.db2.gz YLDUHUOKWJKWHM-XFMPKHEZSA-N -1 1 384.444 0.618 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCOC2)C3)n1 ZINC001571243196 953264357 /nfs/dbraw/zinc/26/43/57/953264357.db2.gz YLDUHUOKWJKWHM-XFMPKHEZSA-N -1 1 384.444 0.618 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)n1 ZINC001571247529 953283390 /nfs/dbraw/zinc/28/33/90/953283390.db2.gz AGYDIOWBDQPGSQ-NHAGDIPZSA-N -1 1 384.444 0.508 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)n1 ZINC001571247529 953283393 /nfs/dbraw/zinc/28/33/93/953283393.db2.gz AGYDIOWBDQPGSQ-NHAGDIPZSA-N -1 1 384.444 0.508 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001571247715 953285009 /nfs/dbraw/zinc/28/50/09/953285009.db2.gz CCNBKEXGJCPYOL-RFQIPJPRSA-N -1 1 384.444 0.779 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001571247715 953285011 /nfs/dbraw/zinc/28/50/11/953285011.db2.gz CCNBKEXGJCPYOL-RFQIPJPRSA-N -1 1 384.444 0.779 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)[C@@H]1CCCOC1 ZINC001571248084 953289787 /nfs/dbraw/zinc/28/97/87/953289787.db2.gz DOWRURGLFWLPIW-AZTHMUBRSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)[C@@H]1CCCOC1 ZINC001571248084 953289790 /nfs/dbraw/zinc/28/97/90/953289790.db2.gz DOWRURGLFWLPIW-AZTHMUBRSA-N -1 1 384.444 0.923 20 0 GCADMM O=C([C@@H]1CCCO1)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571248554 953294322 /nfs/dbraw/zinc/29/43/22/953294322.db2.gz GMRBTWJUNJANGH-YEWDVWPNSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@@H]1CCCO1)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571248554 953294327 /nfs/dbraw/zinc/29/43/27/953294327.db2.gz GMRBTWJUNJANGH-YEWDVWPNSA-N -1 1 384.444 0.876 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)[C@]34C[C@H]3COC4)CC2)n1 ZINC001571248593 953294938 /nfs/dbraw/zinc/29/49/38/953294938.db2.gz HICYHHYGPVPNTI-SGTLLEGYSA-N -1 1 384.444 0.795 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)[C@]34C[C@H]3COC4)CC2)n1 ZINC001571248593 953294941 /nfs/dbraw/zinc/29/49/41/953294941.db2.gz HICYHHYGPVPNTI-SGTLLEGYSA-N -1 1 384.444 0.795 20 0 GCADMM O=C(N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C12CCC(CC1)C2 ZINC001571248622 953295219 /nfs/dbraw/zinc/29/52/19/953295219.db2.gz HSOLSWATCSFEER-XYEKJYRLSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C12CCC(CC1)C2 ZINC001571248622 953295224 /nfs/dbraw/zinc/29/52/24/953295224.db2.gz HSOLSWATCSFEER-XYEKJYRLSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1C[C@@]12CCOC2 ZINC001571248581 953295529 /nfs/dbraw/zinc/29/55/29/953295529.db2.gz HAHROQXMZTVSSU-SCLBCKFNSA-N -1 1 384.444 0.416 20 0 GCADMM O=C(NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1C[C@@]12CCOC2 ZINC001571248581 953295532 /nfs/dbraw/zinc/29/55/32/953295532.db2.gz HAHROQXMZTVSSU-SCLBCKFNSA-N -1 1 384.444 0.416 20 0 GCADMM O=C(COC1CCCCC1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571248853 953297855 /nfs/dbraw/zinc/29/78/55/953297855.db2.gz KNVIFWGULMRIRU-STQMWFEESA-N -1 1 384.444 0.796 20 0 GCADMM O=C(COC1CCCCC1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571248853 953297858 /nfs/dbraw/zinc/29/78/58/953297858.db2.gz KNVIFWGULMRIRU-STQMWFEESA-N -1 1 384.444 0.796 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1=CCCCCC1 ZINC001571248802 953297895 /nfs/dbraw/zinc/29/78/95/953297895.db2.gz IUXLONRXLCNBOB-HIFRSBDPSA-N -1 1 384.444 0.603 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1=CCCCCC1 ZINC001571248802 953297899 /nfs/dbraw/zinc/29/78/99/953297899.db2.gz IUXLONRXLCNBOB-HIFRSBDPSA-N -1 1 384.444 0.603 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248901 953298600 /nfs/dbraw/zinc/29/86/00/953298600.db2.gz LJGVJZIOEPOOPT-WRSAYESZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248901 953298604 /nfs/dbraw/zinc/29/86/04/953298604.db2.gz LJGVJZIOEPOOPT-WRSAYESZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571248907 953299053 /nfs/dbraw/zinc/29/90/53/953299053.db2.gz LNIURLMUSYDNOF-XAYKYTGQSA-N -1 1 384.444 0.843 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571248907 953299059 /nfs/dbraw/zinc/29/90/59/953299059.db2.gz LNIURLMUSYDNOF-XAYKYTGQSA-N -1 1 384.444 0.843 20 0 GCADMM O=C(C[C@H]1CCCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571249284 953303522 /nfs/dbraw/zinc/30/35/22/953303522.db2.gz NHMLSHPNLYTKPC-MQYQWHSLSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(C[C@H]1CCCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571249284 953303528 /nfs/dbraw/zinc/30/35/28/953303528.db2.gz NHMLSHPNLYTKPC-MQYQWHSLSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(C[C@@H]1CCCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571249285 953303553 /nfs/dbraw/zinc/30/35/53/953303553.db2.gz NHMLSHPNLYTKPC-RFGFWPKPSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(C[C@@H]1CCCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571249285 953303557 /nfs/dbraw/zinc/30/35/57/953303557.db2.gz NHMLSHPNLYTKPC-RFGFWPKPSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(C1CCOCC1)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571249318 953303986 /nfs/dbraw/zinc/30/39/86/953303986.db2.gz OKAQBDURRIAFFX-KGLIPLIRSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@@H]1CCCCO1 ZINC001571249397 953304172 /nfs/dbraw/zinc/30/41/72/953304172.db2.gz PISGOZIMELDYAD-JCGVRSQUSA-N -1 1 384.444 0.843 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1CCCCO1 ZINC001571249402 953304496 /nfs/dbraw/zinc/30/44/96/953304496.db2.gz PISGOZIMELDYAD-VBHSOAQHSA-N -1 1 384.444 0.843 20 0 GCADMM O=C(C[C@H]1CCCCO1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571249363 953304931 /nfs/dbraw/zinc/30/49/31/953304931.db2.gz OWMNBRWOPGCJBB-HZSPNIEDSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@H]1CCCCO1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571249363 953304934 /nfs/dbraw/zinc/30/49/34/953304934.db2.gz OWMNBRWOPGCJBB-HZSPNIEDSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CC12CCOCC2 ZINC001571250357 953309968 /nfs/dbraw/zinc/30/99/68/953309968.db2.gz QYWQWUUDHXDPFL-STQMWFEESA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CC12CCOCC2 ZINC001571250357 953309970 /nfs/dbraw/zinc/30/99/70/953309970.db2.gz QYWQWUUDHXDPFL-STQMWFEESA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571250473 953310924 /nfs/dbraw/zinc/31/09/24/953310924.db2.gz RTKYEXRRRYJLGQ-HZSPNIEDSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571250370 953311129 /nfs/dbraw/zinc/31/11/29/953311129.db2.gz RAKOSCINZJSPAI-HSQALYNPSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571250370 953311134 /nfs/dbraw/zinc/31/11/34/953311134.db2.gz RAKOSCINZJSPAI-HSQALYNPSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571250475 953311258 /nfs/dbraw/zinc/31/12/58/953311258.db2.gz RTKYEXRRRYJLGQ-MCIONIFRSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(C(C1CC1)C1CC1)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571251216 953315908 /nfs/dbraw/zinc/31/59/08/953315908.db2.gz SSQATQGLCABDNX-CYBMUJFWSA-N -1 1 384.444 0.732 20 0 GCADMM O=C(C(C1CC1)C1CC1)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571251216 953315911 /nfs/dbraw/zinc/31/59/11/953315911.db2.gz SSQATQGLCABDNX-CYBMUJFWSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@H]1CCCO1)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571251275 953316229 /nfs/dbraw/zinc/31/62/29/953316229.db2.gz TUVHOYNGEAJSFV-WRSAYESZSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@H]1CCCO1)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571251275 953316234 /nfs/dbraw/zinc/31/62/34/953316234.db2.gz TUVHOYNGEAJSFV-WRSAYESZSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571251696 953318418 /nfs/dbraw/zinc/31/84/18/953318418.db2.gz UIYQEORBBFIBLB-WFGGJUAMSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571251696 953318420 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COc1nc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)co1 ZINC001571255741 953353861 /nfs/dbraw/zinc/35/38/61/953353861.db2.gz MFYYWRSSWUJYKG-JTQLQIEISA-N -1 1 385.388 0.361 20 0 GCADMM Cc1nocc1C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571255714 953353992 /nfs/dbraw/zinc/35/39/92/953353992.db2.gz LTHMFRNQLRXSES-INIZCTEOSA-N -1 1 385.388 0.032 20 0 GCADMM Cc1nocc1C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571255714 953354002 /nfs/dbraw/zinc/35/40/02/953354002.db2.gz LTHMFRNQLRXSES-INIZCTEOSA-N -1 1 385.388 0.032 20 0 GCADMM Cc1nsc(NC(=O)NCCS(=O)(=O)C(F)(F)F)c1-c1nnn[n-]1 ZINC001571255771 953355976 /nfs/dbraw/zinc/35/59/76/953355976.db2.gz PCLJVCFYRKXUEA-UHFFFAOYSA-N -1 1 385.353 0.688 20 0 GCADMM Cc1nsc(NC(=O)NCCS(=O)(=O)C(F)(F)F)c1-c1nn[n-]n1 ZINC001571255771 953355981 /nfs/dbraw/zinc/35/59/81/953355981.db2.gz PCLJVCFYRKXUEA-UHFFFAOYSA-N -1 1 385.353 0.688 20 0 GCADMM COc1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)co1 ZINC001571255999 953359157 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QBFPBJGQEAGIPO-XLCCOTKESA-N -1 1 392.456 0.561 20 0 GCADMM O=C([O-])C1(CNC(=O)CNS(=O)(=O)c2c(F)cccc2F)CCOCC1 ZINC000647764648 953978589 /nfs/dbraw/zinc/97/85/89/953978589.db2.gz LETKMZQXAJZNJJ-UHFFFAOYSA-N -1 1 392.380 0.241 20 0 GCADMM CN(C)CCN(CC(=O)[O-])C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC001593698983 954091889 /nfs/dbraw/zinc/09/18/89/954091889.db2.gz BTPGAIXYKRKCST-AREMUKBSSA-N -1 1 384.454 0.430 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC001593700273 954105936 /nfs/dbraw/zinc/10/59/36/954105936.db2.gz BXJQTOBYIXCZRK-UHFFFAOYSA-N -1 1 397.375 0.824 20 0 GCADMM C[N@@H+](CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-])[C@@H]1CCSC1 ZINC001593717195 954232389 /nfs/dbraw/zinc/23/23/89/954232389.db2.gz YXVUHXXCHLNWLP-JFGNBEQYSA-N -1 1 397.419 0.546 20 0 GCADMM C[N@H+](CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])[C@@H]1CCSC1 ZINC001593717195 954232398 /nfs/dbraw/zinc/23/23/98/954232398.db2.gz YXVUHXXCHLNWLP-JFGNBEQYSA-N -1 1 397.419 0.546 20 0 GCADMM 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GCADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3n[nH]cc3Br)CC2)C1 ZINC001594897817 954584665 /nfs/dbraw/zinc/58/46/65/954584665.db2.gz RYZFQRZAZLCASP-MRVPVSSYSA-N -1 1 385.218 0.710 20 0 GCADMM O=C([O-])C1CCN(S(=O)(=O)NCc2n[nH]c(COc3ccccc3)n2)CC1 ZINC001594939745 954872638 /nfs/dbraw/zinc/87/26/38/954872638.db2.gz WKGFXIJGNDVWBL-UHFFFAOYSA-N -1 1 395.441 0.515 20 0 GCADMM COC(=O)C1CC2(C1)CN([C@@H]1CCN(c3cnn(C)c3)C1=O)C[C@H]2C(=O)[O-] ZINC001593825231 955100159 /nfs/dbraw/zinc/10/01/59/955100159.db2.gz ZBAXCCFWVMDOGW-OSGDMYBRSA-N -1 1 376.413 0.111 20 0 GCADMM COC(=O)CCN(CC(=O)[O-])C(=O)CCN1CCN(c2ccccn2)CC1 ZINC001593839482 955343146 /nfs/dbraw/zinc/34/31/46/955343146.db2.gz JCCMQFQRXISAOZ-UHFFFAOYSA-N -1 1 378.429 0.070 20 0 GCADMM CC1SC(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])=NC1=O ZINC001594510762 955389696 /nfs/dbraw/zinc/38/96/96/955389696.db2.gz XVTCMFLFMAXPBJ-RQJHMYQMSA-N -1 1 381.332 0.893 20 0 GCADMM CC1SC(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])=NC1=O 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COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000736911705 598874767 /nfs/dbraw/zinc/87/47/67/598874767.db2.gz IRERQRAVRSZJOX-VIFPVBQESA-N -1 1 387.805 0.083 20 0 GCADMM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000585390150 598875016 /nfs/dbraw/zinc/87/50/16/598875016.db2.gz JMEDGTZLGXDICY-LBPRGKRZSA-N -1 1 395.416 0.970 20 0 GCADMM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000585390148 598875246 /nfs/dbraw/zinc/87/52/46/598875246.db2.gz JMEDGTZLGXDICY-GFCCVEGCSA-N -1 1 395.416 0.970 20 0 GCADMM CC[S@](=O)CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736667514 598893063 /nfs/dbraw/zinc/89/30/63/598893063.db2.gz VFLXHNCEYWYTBN-MHZLTWQESA-N -1 1 390.473 0.344 20 0 GCADMM CC[S@](=O)CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736667514 598893065 /nfs/dbraw/zinc/89/30/65/598893065.db2.gz VFLXHNCEYWYTBN-MHZLTWQESA-N -1 1 390.473 0.344 20 0 GCADMM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)C ZINC000735849692 598918432 /nfs/dbraw/zinc/91/84/32/598918432.db2.gz KFWZBXQVAIKDDT-ZDUSSCGKSA-N -1 1 382.446 0.906 20 0 GCADMM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)C ZINC000735849692 598918433 /nfs/dbraw/zinc/91/84/33/598918433.db2.gz KFWZBXQVAIKDDT-ZDUSSCGKSA-N -1 1 382.446 0.906 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000737202270 598928121 /nfs/dbraw/zinc/92/81/21/598928121.db2.gz ZKBJUJLFYWPHIY-CYBMUJFWSA-N -1 1 387.444 0.642 20 0 GCADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000737301421 598930329 /nfs/dbraw/zinc/93/03/29/598930329.db2.gz MPHRKUMYMNUUFD-UHFFFAOYSA-N -1 1 388.409 0.840 20 0 GCADMM CC(C)NC(=O)CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735885445 598933958 /nfs/dbraw/zinc/93/39/58/598933958.db2.gz ZTDSXEYEDJGIJQ-UHFFFAOYSA-N -1 1 381.444 0.457 20 0 GCADMM CC(C)NC(=O)CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735885445 598933960 /nfs/dbraw/zinc/93/39/60/598933960.db2.gz ZTDSXEYEDJGIJQ-UHFFFAOYSA-N -1 1 381.444 0.457 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H](C)C[C@@H](C)O ZINC000737488863 598952256 /nfs/dbraw/zinc/95/22/56/598952256.db2.gz YUXORMALZFIENE-GHMZBOCLSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H](C)C[C@@H](C)O ZINC000737488863 598952258 /nfs/dbraw/zinc/95/22/58/598952258.db2.gz YUXORMALZFIENE-GHMZBOCLSA-N -1 1 386.460 0.982 20 0 GCADMM CCCCNC(=O)CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736458257 598956184 /nfs/dbraw/zinc/95/61/84/598956184.db2.gz YTDAZCVCOYPMOI-UHFFFAOYSA-N -1 1 395.471 0.848 20 0 GCADMM CCCCNC(=O)CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736458257 598956185 /nfs/dbraw/zinc/95/61/85/598956185.db2.gz YTDAZCVCOYPMOI-UHFFFAOYSA-N -1 1 395.471 0.848 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736747220 598959919 /nfs/dbraw/zinc/95/99/19/598959919.db2.gz PRZONOGFKGCTAS-MNOVXSKESA-N -1 1 379.446 0.187 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736747220 598959920 /nfs/dbraw/zinc/95/99/20/598959920.db2.gz PRZONOGFKGCTAS-MNOVXSKESA-N -1 1 379.446 0.187 20 0 GCADMM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738052675 598982225 /nfs/dbraw/zinc/98/22/25/598982225.db2.gz VITFWXWCQVDULL-INIZCTEOSA-N -1 1 379.424 0.893 20 0 GCADMM O=C(Cn1cnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1)N1CCCCCC1 ZINC000738209662 599002704 /nfs/dbraw/zinc/00/27/04/599002704.db2.gz QEIODKPCKIIVQH-UHFFFAOYSA-N -1 1 396.415 0.508 20 0 GCADMM O=C(Cn1cnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1)N1CCCCCC1 ZINC000738209662 599002705 /nfs/dbraw/zinc/00/27/05/599002705.db2.gz QEIODKPCKIIVQH-UHFFFAOYSA-N -1 1 396.415 0.508 20 0 GCADMM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736885708 599028612 /nfs/dbraw/zinc/02/86/12/599028612.db2.gz BBTHIZHUVIPIQR-JTQLQIEISA-N -1 1 387.425 0.661 20 0 GCADMM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736885708 599028614 /nfs/dbraw/zinc/02/86/14/599028614.db2.gz BBTHIZHUVIPIQR-JTQLQIEISA-N -1 1 387.425 0.661 20 0 GCADMM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735536225 599028917 /nfs/dbraw/zinc/02/89/17/599028917.db2.gz CDTCIZPPWRJPOC-CYBMUJFWSA-N -1 1 398.471 0.467 20 0 GCADMM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735536225 599028919 /nfs/dbraw/zinc/02/89/19/599028919.db2.gz CDTCIZPPWRJPOC-CYBMUJFWSA-N -1 1 398.471 0.467 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3nccnc3-c3nnn[n-]3)cn2)C[C@@H](C)O1 ZINC000820736017 599035776 /nfs/dbraw/zinc/03/57/76/599035776.db2.gz WPNXJGQEIJDAFC-GHMZBOCLSA-N -1 1 384.404 0.233 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3nccnc3-c3nn[n-]n3)cn2)C[C@@H](C)O1 ZINC000820736017 599035779 /nfs/dbraw/zinc/03/57/79/599035779.db2.gz WPNXJGQEIJDAFC-GHMZBOCLSA-N -1 1 384.404 0.233 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1(C(N)=O)CCCC1 ZINC000737198785 599037885 /nfs/dbraw/zinc/03/78/85/599037885.db2.gz DEXHWMBPBITNCU-UHFFFAOYSA-N -1 1 387.444 0.679 20 0 GCADMM Cn1c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)nc2cc(F)ccc21 ZINC000737589263 599051338 /nfs/dbraw/zinc/05/13/38/599051338.db2.gz BHMLSPJTCKQFKE-UHFFFAOYSA-N -1 1 388.388 0.766 20 0 GCADMM Cn1c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)nc2cc(F)ccc21 ZINC000737589263 599051340 /nfs/dbraw/zinc/05/13/40/599051340.db2.gz BHMLSPJTCKQFKE-UHFFFAOYSA-N -1 1 388.388 0.766 20 0 GCADMM C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1cccc(Cl)c1 ZINC000820275078 599063846 /nfs/dbraw/zinc/06/38/46/599063846.db2.gz NCRKKTWAKDMDDK-VIFPVBQESA-N -1 1 391.819 0.797 20 0 GCADMM C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccccc1F ZINC000820275715 599066829 /nfs/dbraw/zinc/06/68/29/599066829.db2.gz QZSDITFCOQAKKC-VIFPVBQESA-N -1 1 375.364 0.283 20 0 GCADMM COc1ccc(O[C@@H](C)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000821838008 599074957 /nfs/dbraw/zinc/07/49/57/599074957.db2.gz JFDRBEOUSRKWCO-JTQLQIEISA-N -1 1 387.400 0.152 20 0 GCADMM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737271719 599075714 /nfs/dbraw/zinc/07/57/14/599075714.db2.gz NOUPMJWFQCPRDE-UHFFFAOYSA-N -1 1 399.436 0.784 20 0 GCADMM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738019474 599085737 /nfs/dbraw/zinc/08/57/37/599085737.db2.gz JUNNDBAMKVQJAB-AWEZNQCLSA-N -1 1 393.407 0.671 20 0 GCADMM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738019474 599085740 /nfs/dbraw/zinc/08/57/40/599085740.db2.gz JUNNDBAMKVQJAB-AWEZNQCLSA-N -1 1 393.407 0.671 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000738302802 599105693 /nfs/dbraw/zinc/10/56/93/599105693.db2.gz NXPNNWFKRWOBNY-UHFFFAOYSA-N -1 1 381.371 0.885 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000738302802 599105695 /nfs/dbraw/zinc/10/56/95/599105695.db2.gz NXPNNWFKRWOBNY-UHFFFAOYSA-N -1 1 381.371 0.885 20 0 GCADMM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037905 599107169 /nfs/dbraw/zinc/10/71/69/599107169.db2.gz ICLOUUUFBBVUED-LLVKDONJSA-N -1 1 384.352 0.160 20 0 GCADMM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037905 599107172 /nfs/dbraw/zinc/10/71/72/599107172.db2.gz ICLOUUUFBBVUED-LLVKDONJSA-N -1 1 384.352 0.160 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@H](C)CCO)CC2)o1 ZINC000822423765 599128520 /nfs/dbraw/zinc/12/85/20/599128520.db2.gz OIQHHOXJCHIMGU-SNVBAGLBSA-N -1 1 381.462 0.316 20 0 GCADMM CCCn1c(CO)nnc1SCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC000821142422 607258773 /nfs/dbraw/zinc/25/87/73/607258773.db2.gz JBYNNTSIGMTBEE-UHFFFAOYSA-N -1 1 388.417 0.401 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc2c(c1)OCCO2 ZINC000737909678 599132726 /nfs/dbraw/zinc/13/27/26/599132726.db2.gz XHNGVDVIRFRJPQ-UHFFFAOYSA-N -1 1 382.336 0.828 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc2c(c1)OCCO2 ZINC000737909678 599132728 /nfs/dbraw/zinc/13/27/28/599132728.db2.gz XHNGVDVIRFRJPQ-UHFFFAOYSA-N -1 1 382.336 0.828 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC(=O)NCc1ccccc1 ZINC000737909774 599133476 /nfs/dbraw/zinc/13/34/76/599133476.db2.gz ZDVUNMSXUCJCQY-UHFFFAOYSA-N -1 1 381.352 0.445 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC(=O)NCc1ccccc1 ZINC000737909774 599133478 /nfs/dbraw/zinc/13/34/78/599133478.db2.gz ZDVUNMSXUCJCQY-UHFFFAOYSA-N -1 1 381.352 0.445 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000736158441 599134253 /nfs/dbraw/zinc/13/42/53/599134253.db2.gz PYRCOMDSVJUVOQ-SECBINFHSA-N -1 1 381.352 0.545 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000736158441 599134254 /nfs/dbraw/zinc/13/42/54/599134254.db2.gz PYRCOMDSVJUVOQ-SECBINFHSA-N -1 1 381.352 0.545 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736591520 599134920 /nfs/dbraw/zinc/13/49/20/599134920.db2.gz UXGHTVCLKXYFDU-GFCCVEGCSA-N -1 1 388.384 0.220 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736591520 599134922 /nfs/dbraw/zinc/13/49/22/599134922.db2.gz UXGHTVCLKXYFDU-GFCCVEGCSA-N -1 1 388.384 0.220 20 0 GCADMM CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736577766 599135309 /nfs/dbraw/zinc/13/53/09/599135309.db2.gz NGNKSNNIZZJSBG-UHFFFAOYSA-N -1 1 395.379 0.807 20 0 GCADMM CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736577766 599135311 /nfs/dbraw/zinc/13/53/11/599135311.db2.gz NGNKSNNIZZJSBG-UHFFFAOYSA-N -1 1 395.379 0.807 20 0 GCADMM COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736957407 599136980 /nfs/dbraw/zinc/13/69/80/599136980.db2.gz ODOGJBPMGJBIPV-UHFFFAOYSA-N -1 1 396.363 0.868 20 0 GCADMM COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736957407 599136981 /nfs/dbraw/zinc/13/69/81/599136981.db2.gz ODOGJBPMGJBIPV-UHFFFAOYSA-N -1 1 396.363 0.868 20 0 GCADMM COC[C@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCO1 ZINC000736976713 599139702 /nfs/dbraw/zinc/13/97/02/599139702.db2.gz PHIOBQMCSQWOKL-CQSZACIVSA-N -1 1 398.427 0.338 20 0 GCADMM COC[C@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCO1 ZINC000736976713 599139704 /nfs/dbraw/zinc/13/97/04/599139704.db2.gz PHIOBQMCSQWOKL-CQSZACIVSA-N -1 1 398.427 0.338 20 0 GCADMM COC[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCO1 ZINC000736976712 599140016 /nfs/dbraw/zinc/14/00/16/599140016.db2.gz PHIOBQMCSQWOKL-AWEZNQCLSA-N -1 1 398.427 0.338 20 0 GCADMM COC[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCO1 ZINC000736976712 599140017 /nfs/dbraw/zinc/14/00/17/599140017.db2.gz PHIOBQMCSQWOKL-AWEZNQCLSA-N -1 1 398.427 0.338 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)c2ccc(C(C)(C)C)cc2)n(C)c1=O ZINC000737598158 599171892 /nfs/dbraw/zinc/17/18/92/599171892.db2.gz ZQKTZKZQWMVRMH-CYBMUJFWSA-N -1 1 399.455 0.707 20 0 GCADMM CN1CC[C@@H](N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1=O ZINC000736850821 599172561 /nfs/dbraw/zinc/17/25/61/599172561.db2.gz CHJVAFCCLQOMRX-LLVKDONJSA-N -1 1 384.400 0.467 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H]1CCN(C)C1=O ZINC000737486923 599186417 /nfs/dbraw/zinc/18/64/17/599186417.db2.gz GMUXCOBQNSSNIN-ZDUSSCGKSA-N -1 1 384.400 0.233 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H]1CCN(C)C1=O ZINC000737486923 599186419 /nfs/dbraw/zinc/18/64/19/599186419.db2.gz GMUXCOBQNSSNIN-ZDUSSCGKSA-N -1 1 384.400 0.233 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737549505 599209450 /nfs/dbraw/zinc/20/94/50/599209450.db2.gz WCICWPCOZIDVLN-GXSJLCMTSA-N -1 1 397.461 0.027 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1CC ZINC000736623694 599209954 /nfs/dbraw/zinc/20/99/54/599209954.db2.gz LPODSWPHURDHRI-CYBMUJFWSA-N -1 1 395.489 0.383 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1CC ZINC000736623694 599209955 /nfs/dbraw/zinc/20/99/55/599209955.db2.gz LPODSWPHURDHRI-CYBMUJFWSA-N -1 1 395.489 0.383 20 0 GCADMM CCc1nn(CCn2cnc3ccccc3c2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705765 599222366 /nfs/dbraw/zinc/22/23/66/599222366.db2.gz ALQNBARMHBRYQF-UHFFFAOYSA-N -1 1 392.423 0.958 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)=NN1c1ccccc1 ZINC000740476057 596982789 /nfs/dbraw/zinc/98/27/89/596982789.db2.gz JCHLMUXXENKXLG-OKZBNKHCSA-N -1 1 386.452 0.764 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)=NN1c1ccccc1 ZINC000740476055 596982911 /nfs/dbraw/zinc/98/29/11/596982911.db2.gz JCHLMUXXENKXLG-BZSNNMDCSA-N -1 1 386.452 0.764 20 0 GCADMM CN(CCC(=O)[O-])CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000818463072 596998754 /nfs/dbraw/zinc/99/87/54/596998754.db2.gz SEXNELHRRNLOAC-UHFFFAOYSA-N -1 1 385.442 0.053 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)n1 ZINC000822609828 607273099 /nfs/dbraw/zinc/27/30/99/607273099.db2.gz WDVQMGYMHWVAEY-ZYHUDNBSSA-N -1 1 386.420 0.311 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)n1 ZINC000822609828 607273100 /nfs/dbraw/zinc/27/31/00/607273100.db2.gz WDVQMGYMHWVAEY-ZYHUDNBSSA-N -1 1 386.420 0.311 20 0 GCADMM COC(=O)c1csc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000821671027 607273544 /nfs/dbraw/zinc/27/35/44/607273544.db2.gz DNSZGOZZWHQOMI-UHFFFAOYSA-N -1 1 391.417 0.774 20 0 GCADMM COC(=O)c1csc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000821671027 607273545 /nfs/dbraw/zinc/27/35/45/607273545.db2.gz DNSZGOZZWHQOMI-UHFFFAOYSA-N -1 1 391.417 0.774 20 0 GCADMM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000819586004 597347745 /nfs/dbraw/zinc/34/77/45/597347745.db2.gz RZAJXPHPGPORDZ-MRXNPFEDSA-N -1 1 389.452 0.966 20 0 GCADMM O=S1(=O)CC[C@H](N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)C1 ZINC000823613515 607304176 /nfs/dbraw/zinc/30/41/76/607304176.db2.gz KHLAHQOIFZKNAM-ZDUSSCGKSA-N -1 1 399.480 0.724 20 0 GCADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2CC[C@@H](C(=O)[O-])C2)cc(C(=O)OC)c1 ZINC000818517164 597528601 /nfs/dbraw/zinc/52/86/01/597528601.db2.gz ZHEMHHVIHVVWTB-GHMZBOCLSA-N -1 1 378.381 0.993 20 0 GCADMM CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OCC(=O)NCC(=O)[O-] ZINC000820894233 597827034 /nfs/dbraw/zinc/82/70/34/597827034.db2.gz IMUHIDNBZVOPBC-UHFFFAOYSA-N -1 1 380.378 0.569 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000823551469 607332154 /nfs/dbraw/zinc/33/21/54/607332154.db2.gz RQXTVXXLAQXHLN-GFCCVEGCSA-N -1 1 391.391 0.763 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000823551469 607332155 /nfs/dbraw/zinc/33/21/55/607332155.db2.gz RQXTVXXLAQXHLN-GFCCVEGCSA-N -1 1 391.391 0.763 20 0 GCADMM Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3F)CCO2)n[nH]1 ZINC000821152449 598171677 /nfs/dbraw/zinc/17/16/77/598171677.db2.gz BTCXLDLWMMKGEK-LBPRGKRZSA-N -1 1 377.332 0.489 20 0 GCADMM CC(C)[C@@H](NCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C(=O)[O-] ZINC000820041344 598188174 /nfs/dbraw/zinc/18/81/74/598188174.db2.gz CKTYOZBIAAVGEO-LJQANCHMSA-N -1 1 375.469 0.965 20 0 GCADMM CCN(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000736536088 598254203 /nfs/dbraw/zinc/25/42/03/598254203.db2.gz BOQXEDHTUQDFTE-UHFFFAOYSA-N -1 1 397.461 0.797 20 0 GCADMM CCN(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000736536088 598254204 /nfs/dbraw/zinc/25/42/04/598254204.db2.gz BOQXEDHTUQDFTE-UHFFFAOYSA-N -1 1 397.461 0.797 20 0 GCADMM O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738301903 598254460 /nfs/dbraw/zinc/25/44/60/598254460.db2.gz FMZUHZXFIMXMAA-UHFFFAOYSA-N -1 1 377.430 0.037 20 0 GCADMM O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738301903 598254462 /nfs/dbraw/zinc/25/44/62/598254462.db2.gz FMZUHZXFIMXMAA-UHFFFAOYSA-N -1 1 377.430 0.037 20 0 GCADMM COC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000736948255 598259374 /nfs/dbraw/zinc/25/93/74/598259374.db2.gz IGWZKXGIYUFAQH-UHFFFAOYSA-N -1 1 391.365 0.825 20 0 GCADMM COC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000736948255 598259375 /nfs/dbraw/zinc/25/93/75/598259375.db2.gz IGWZKXGIYUFAQH-UHFFFAOYSA-N -1 1 391.365 0.825 20 0 GCADMM CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736820105 598260424 /nfs/dbraw/zinc/26/04/24/598260424.db2.gz MHCLAJIWHZXCDT-UHFFFAOYSA-N -1 1 388.409 0.854 20 0 GCADMM CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736820105 598260426 /nfs/dbraw/zinc/26/04/26/598260426.db2.gz MHCLAJIWHZXCDT-UHFFFAOYSA-N -1 1 388.409 0.854 20 0 GCADMM O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738278361 598261389 /nfs/dbraw/zinc/26/13/89/598261389.db2.gz JKIKKZVBWOTMOS-UHFFFAOYSA-N -1 1 399.436 0.408 20 0 GCADMM O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738278361 598261390 /nfs/dbraw/zinc/26/13/90/598261390.db2.gz JKIKKZVBWOTMOS-UHFFFAOYSA-N -1 1 399.436 0.408 20 0 GCADMM Cc1cc(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)on1 ZINC000737262542 598262299 /nfs/dbraw/zinc/26/22/99/598262299.db2.gz MVHWEDSLBRYGDS-UHFFFAOYSA-N -1 1 390.429 0.065 20 0 GCADMM Cc1cc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)on1 ZINC000737262542 598262301 /nfs/dbraw/zinc/26/23/01/598262301.db2.gz MVHWEDSLBRYGDS-UHFFFAOYSA-N -1 1 390.429 0.065 20 0 GCADMM CCOC(=O)N[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC000736601520 598263808 /nfs/dbraw/zinc/26/38/08/598263808.db2.gz ZSPDJDLACFIEKN-LLVKDONJSA-N -1 1 397.461 0.701 20 0 GCADMM CCOC(=O)N[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC000736601520 598263810 /nfs/dbraw/zinc/26/38/10/598263810.db2.gz ZSPDJDLACFIEKN-LLVKDONJSA-N -1 1 397.461 0.701 20 0 GCADMM CC(C)Oc1ncccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735915140 598264730 /nfs/dbraw/zinc/26/47/30/598264730.db2.gz YSLNWMBYDUTERQ-UHFFFAOYSA-N -1 1 375.414 0.922 20 0 GCADMM CC(C)Oc1ncccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735915140 598264731 /nfs/dbraw/zinc/26/47/31/598264731.db2.gz YSLNWMBYDUTERQ-UHFFFAOYSA-N -1 1 375.414 0.922 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000738352779 598264751 /nfs/dbraw/zinc/26/47/51/598264751.db2.gz AOKWSXAOBAZZHQ-NEPJUHHUSA-N -1 1 396.498 0.937 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000738352779 598264752 /nfs/dbraw/zinc/26/47/52/598264752.db2.gz AOKWSXAOBAZZHQ-NEPJUHHUSA-N -1 1 396.498 0.937 20 0 GCADMM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735685647 598264997 /nfs/dbraw/zinc/26/49/97/598264997.db2.gz YHSPXMPTGMJDQZ-UHFFFAOYSA-N -1 1 379.446 0.187 20 0 GCADMM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735685647 598264999 /nfs/dbraw/zinc/26/49/99/598264999.db2.gz YHSPXMPTGMJDQZ-UHFFFAOYSA-N -1 1 379.446 0.187 20 0 GCADMM CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000736531822 598265522 /nfs/dbraw/zinc/26/55/22/598265522.db2.gz LXNLBECVAGSMQJ-UHFFFAOYSA-N -1 1 388.457 0.981 20 0 GCADMM CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000736531822 598265523 /nfs/dbraw/zinc/26/55/23/598265523.db2.gz LXNLBECVAGSMQJ-UHFFFAOYSA-N -1 1 388.457 0.981 20 0 GCADMM Cc1csc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000737453180 598265697 /nfs/dbraw/zinc/26/56/97/598265697.db2.gz RWHUSIVRMIFEJT-UHFFFAOYSA-N -1 1 392.470 0.538 20 0 GCADMM Cc1csc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000737453180 598265698 /nfs/dbraw/zinc/26/56/98/598265698.db2.gz RWHUSIVRMIFEJT-UHFFFAOYSA-N -1 1 392.470 0.538 20 0 GCADMM O=C1CCCN1c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000738305010 598266081 /nfs/dbraw/zinc/26/60/81/598266081.db2.gz RTHPUUOEZMDYTQ-UHFFFAOYSA-N -1 1 399.436 0.867 20 0 GCADMM O=C1CCCN1c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000738305010 598266082 /nfs/dbraw/zinc/26/60/82/598266082.db2.gz RTHPUUOEZMDYTQ-UHFFFAOYSA-N -1 1 399.436 0.867 20 0 GCADMM COCCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737013797 598267684 /nfs/dbraw/zinc/26/76/84/598267684.db2.gz JXTUFVMUHOEAQD-UHFFFAOYSA-N -1 1 390.425 0.765 20 0 GCADMM COCCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737013797 598267685 /nfs/dbraw/zinc/26/76/85/598267685.db2.gz JXTUFVMUHOEAQD-UHFFFAOYSA-N -1 1 390.425 0.765 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000738356224 598268516 /nfs/dbraw/zinc/26/85/16/598268516.db2.gz ZEIKLJDVMMNAPQ-SECBINFHSA-N -1 1 392.363 0.994 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000738356224 598268518 /nfs/dbraw/zinc/26/85/18/598268518.db2.gz ZEIKLJDVMMNAPQ-SECBINFHSA-N -1 1 392.363 0.994 20 0 GCADMM O=S(=O)(NCc1nc(Cc2ccccc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345434 598269483 /nfs/dbraw/zinc/26/94/83/598269483.db2.gz MHJPAIQSFFVWTJ-UHFFFAOYSA-N -1 1 398.408 0.714 20 0 GCADMM O=S(=O)(NCc1nc(Cc2ccccc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345434 598269485 /nfs/dbraw/zinc/26/94/85/598269485.db2.gz MHJPAIQSFFVWTJ-UHFFFAOYSA-N -1 1 398.408 0.714 20 0 GCADMM CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736323484 598269958 /nfs/dbraw/zinc/26/99/58/598269958.db2.gz FGLAKINXJYCWPG-SKDRFNHKSA-N -1 1 397.486 0.240 20 0 GCADMM CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736323484 598269959 /nfs/dbraw/zinc/26/99/59/598269959.db2.gz FGLAKINXJYCWPG-SKDRFNHKSA-N -1 1 397.486 0.240 20 0 GCADMM CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736458231 598270009 /nfs/dbraw/zinc/27/00/09/598270009.db2.gz XQRSEDHVGCYGAG-GFCCVEGCSA-N -1 1 393.473 0.579 20 0 GCADMM CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736458231 598270010 /nfs/dbraw/zinc/27/00/10/598270010.db2.gz XQRSEDHVGCYGAG-GFCCVEGCSA-N -1 1 393.473 0.579 20 0 GCADMM COc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(N)=O)c1 ZINC000737111913 598270997 /nfs/dbraw/zinc/27/09/97/598270997.db2.gz QTICGYMHOSODHX-UHFFFAOYSA-N -1 1 376.354 0.137 20 0 GCADMM COc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(N)=O)c1 ZINC000737111913 598270998 /nfs/dbraw/zinc/27/09/98/598270998.db2.gz QTICGYMHOSODHX-UHFFFAOYSA-N -1 1 376.354 0.137 20 0 GCADMM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735684496 598271421 /nfs/dbraw/zinc/27/14/21/598271421.db2.gz DPLCMCJFKPNCKL-LLVKDONJSA-N -1 1 379.446 0.187 20 0 GCADMM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735684496 598271423 /nfs/dbraw/zinc/27/14/23/598271423.db2.gz DPLCMCJFKPNCKL-LLVKDONJSA-N -1 1 379.446 0.187 20 0 GCADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736873198 598283220 /nfs/dbraw/zinc/28/32/20/598283220.db2.gz GZKACQMSCSELIE-UHFFFAOYSA-N -1 1 388.409 0.792 20 0 GCADMM COCC[C@@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736979357 598284118 /nfs/dbraw/zinc/28/41/18/598284118.db2.gz RQCIBRLAVKSEIO-LLVKDONJSA-N -1 1 390.448 0.989 20 0 GCADMM COC(=O)[C@@H](C)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736895663 598298926 /nfs/dbraw/zinc/29/89/26/598298926.db2.gz ZQIXXWHJQJISGB-VIFPVBQESA-N -1 1 386.416 0.384 20 0 GCADMM COC(=O)[C@@H](C)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736895663 598298927 /nfs/dbraw/zinc/29/89/27/598298927.db2.gz ZQIXXWHJQJISGB-VIFPVBQESA-N -1 1 386.416 0.384 20 0 GCADMM COCCNC(=O)[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737007147 598307184 /nfs/dbraw/zinc/30/71/84/598307184.db2.gz QTEQVLSVEQTWKD-NSHDSACASA-N -1 1 392.416 0.211 20 0 GCADMM Cc1cc(=O)n2[n-]c(NC(=O)CSCc3ccc(-c4nn[nH]n4)cc3)nc2n1 ZINC000737226157 598312920 /nfs/dbraw/zinc/31/29/20/598312920.db2.gz RQKRQOQIMPRTFL-UHFFFAOYSA-N -1 1 397.424 0.778 20 0 GCADMM CCc1nn(C)c(Cl)c1CN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736706393 598335907 /nfs/dbraw/zinc/33/59/07/598335907.db2.gz VUZVVEVVUOZKME-UHFFFAOYSA-N -1 1 388.867 0.928 20 0 GCADMM CCc1nn(C)c(Cl)c1CN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736706393 598335910 /nfs/dbraw/zinc/33/59/10/598335910.db2.gz VUZVVEVVUOZKME-UHFFFAOYSA-N -1 1 388.867 0.928 20 0 GCADMM C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC000736222055 598340656 /nfs/dbraw/zinc/34/06/56/598340656.db2.gz AFRBAVCBSJTKJV-LLVKDONJSA-N -1 1 393.411 0.857 20 0 GCADMM C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC000736222055 598340657 /nfs/dbraw/zinc/34/06/57/598340657.db2.gz AFRBAVCBSJTKJV-LLVKDONJSA-N -1 1 393.411 0.857 20 0 GCADMM Nc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc2ccccc12 ZINC000737776581 598341291 /nfs/dbraw/zinc/34/12/91/598341291.db2.gz QSKVRGWJILHQFY-UHFFFAOYSA-N -1 1 389.427 0.504 20 0 GCADMM Nc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc2ccccc12 ZINC000737776581 598341293 /nfs/dbraw/zinc/34/12/93/598341293.db2.gz QSKVRGWJILHQFY-UHFFFAOYSA-N -1 1 389.427 0.504 20 0 GCADMM O=C(C1CC1)N1CCN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cn2)CC1 ZINC000737781943 598352124 /nfs/dbraw/zinc/35/21/24/598352124.db2.gz CTLOQIVRXFBAJH-UHFFFAOYSA-N -1 1 392.427 0.854 20 0 GCADMM O=C(C1CC1)N1CCN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cn2)CC1 ZINC000737781943 598352125 /nfs/dbraw/zinc/35/21/25/598352125.db2.gz CTLOQIVRXFBAJH-UHFFFAOYSA-N -1 1 392.427 0.854 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)c(-c2nn[n-]n2)c1C ZINC000737552412 598354216 /nfs/dbraw/zinc/35/42/16/598354216.db2.gz PIJCIKDDHNMPEU-ZDUSSCGKSA-N -1 1 386.416 0.613 20 0 GCADMM CO[C@@H](C)CCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736958079 598362351 /nfs/dbraw/zinc/36/23/51/598362351.db2.gz MZSXMSUSULAELH-NSHDSACASA-N -1 1 390.448 0.989 20 0 GCADMM CCc1nn(Cc2cc(=O)n3c(C)csc3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706398 598377617 /nfs/dbraw/zinc/37/76/17/598377617.db2.gz KPGVFQNQCZSIST-UHFFFAOYSA-N -1 1 398.452 0.974 20 0 GCADMM Cn1nccc1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737629444 598410794 /nfs/dbraw/zinc/41/07/94/598410794.db2.gz VEMBXDWKKVCJCC-UHFFFAOYSA-N -1 1 393.367 0.581 20 0 GCADMM Cn1nccc1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737629444 598410795 /nfs/dbraw/zinc/41/07/95/598410795.db2.gz VEMBXDWKKVCJCC-UHFFFAOYSA-N -1 1 393.367 0.581 20 0 GCADMM Cn1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000737613855 598416423 /nfs/dbraw/zinc/41/64/23/598416423.db2.gz RXJPESGANYZLQY-UHFFFAOYSA-N -1 1 384.404 0.820 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCc2c[nH]c3ccccc23)n(C)c1=O ZINC000737597717 598467178 /nfs/dbraw/zinc/46/71/78/598467178.db2.gz UIEJRXCQZCETMB-UHFFFAOYSA-N -1 1 380.412 0.790 20 0 GCADMM COC(C)(C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736958198 598477136 /nfs/dbraw/zinc/47/71/36/598477136.db2.gz OIRCQQGZDIQLIE-UHFFFAOYSA-N -1 1 385.384 0.959 20 0 GCADMM COC(C)(C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736958198 598477138 /nfs/dbraw/zinc/47/71/38/598477138.db2.gz OIRCQQGZDIQLIE-UHFFFAOYSA-N -1 1 385.384 0.959 20 0 GCADMM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735685033 598539615 /nfs/dbraw/zinc/53/96/15/598539615.db2.gz ZFQMZYXOGUCNOL-UHFFFAOYSA-N -1 1 379.446 0.141 20 0 GCADMM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735685033 598539617 /nfs/dbraw/zinc/53/96/17/598539617.db2.gz ZFQMZYXOGUCNOL-UHFFFAOYSA-N -1 1 379.446 0.141 20 0 GCADMM CCN1C(=S)N=NC1CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736713701 598541566 /nfs/dbraw/zinc/54/15/66/598541566.db2.gz LVVBTUPQLITONY-UHFFFAOYSA-N -1 1 393.458 0.519 20 0 GCADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)NCC1CCCCC1 ZINC000819988040 607360706 /nfs/dbraw/zinc/36/07/06/607360706.db2.gz RBRJMGWAZPXZES-UHFFFAOYSA-N -1 1 375.437 0.050 20 0 GCADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1c1ccccc1 ZINC000738298846 598597260 /nfs/dbraw/zinc/59/72/60/598597260.db2.gz YUAYNRVATWUFDN-AWEZNQCLSA-N -1 1 385.409 0.346 20 0 GCADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1c1ccccc1 ZINC000738298846 598597262 /nfs/dbraw/zinc/59/72/62/598597262.db2.gz YUAYNRVATWUFDN-AWEZNQCLSA-N -1 1 385.409 0.346 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n([C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000736941075 598613901 /nfs/dbraw/zinc/61/39/01/598613901.db2.gz NYNBAZKCPOWBBZ-VIFPVBQESA-N -1 1 386.290 0.151 20 0 GCADMM CN(C(N)=O)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736741989 598614157 /nfs/dbraw/zinc/61/41/57/598614157.db2.gz WOQDCVXLEZEMIZ-UHFFFAOYSA-N -1 1 375.370 0.544 20 0 GCADMM CN(C(N)=O)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736741989 598614159 /nfs/dbraw/zinc/61/41/59/598614159.db2.gz WOQDCVXLEZEMIZ-UHFFFAOYSA-N -1 1 375.370 0.544 20 0 GCADMM CCc1nn(CCCN2C(=O)NC(C)(C)C2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705587 598642145 /nfs/dbraw/zinc/64/21/45/598642145.db2.gz KZHUHXVWOQSMJC-UHFFFAOYSA-N -1 1 388.432 0.269 20 0 GCADMM CCc1nn(Cc2nc3ccccc3n(C)c2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706228 598642914 /nfs/dbraw/zinc/64/29/14/598642914.db2.gz JCJHVEPYXXVPBN-UHFFFAOYSA-N -1 1 392.423 0.843 20 0 GCADMM COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000737110215 598675789 /nfs/dbraw/zinc/67/57/89/598675789.db2.gz YBIKRNOWMNCBTC-LLVKDONJSA-N -1 1 384.396 0.923 20 0 GCADMM CS(=O)(=O)c1ccc(OCCCn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000737173243 598675880 /nfs/dbraw/zinc/67/58/80/598675880.db2.gz JEZWHSVFUBIBGO-UHFFFAOYSA-N -1 1 375.410 0.901 20 0 GCADMM COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736911908 598685089 /nfs/dbraw/zinc/68/50/89/598685089.db2.gz JNVXOYPZEYSILL-GXSJLCMTSA-N -1 1 378.389 0.277 20 0 GCADMM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736481472 598688446 /nfs/dbraw/zinc/68/84/46/598688446.db2.gz QWNBAXYIUKDZHR-UHFFFAOYSA-N -1 1 396.448 0.933 20 0 GCADMM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735476238 598690839 /nfs/dbraw/zinc/69/08/39/598690839.db2.gz WOHOQKGECITEAV-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735474363 598692487 /nfs/dbraw/zinc/69/24/87/598692487.db2.gz IOYXDKBQNDHBSH-LLVKDONJSA-N -1 1 382.421 0.543 20 0 GCADMM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736747348 598692979 /nfs/dbraw/zinc/69/29/79/598692979.db2.gz RHZWXIHJXRQAMT-NSHDSACASA-N -1 1 386.434 0.158 20 0 GCADMM Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737312832 598711291 /nfs/dbraw/zinc/71/12/91/598711291.db2.gz OJHCAHAYVWEODY-UHFFFAOYSA-N -1 1 387.425 0.278 20 0 GCADMM Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737312832 598711292 /nfs/dbraw/zinc/71/12/92/598711292.db2.gz OJHCAHAYVWEODY-UHFFFAOYSA-N -1 1 387.425 0.278 20 0 GCADMM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000736710982 598712153 /nfs/dbraw/zinc/71/21/53/598712153.db2.gz NCRNPBBMLKPEFW-UHFFFAOYSA-N -1 1 378.393 0.364 20 0 GCADMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738307300 598718102 /nfs/dbraw/zinc/71/81/02/598718102.db2.gz QBASMLFQWPVBCX-UHFFFAOYSA-N -1 1 380.324 0.251 20 0 GCADMM COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736892946 598719167 /nfs/dbraw/zinc/71/91/67/598719167.db2.gz QMJMPMHRNLCYOQ-CQSZACIVSA-N -1 1 398.423 0.886 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NC(=O)NC1CCCC1 ZINC000737983497 598721947 /nfs/dbraw/zinc/72/19/47/598721947.db2.gz WPGXCIMHKXSWCB-UHFFFAOYSA-N -1 1 381.396 0.950 20 0 GCADMM Cn1ccnc1CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737614808 598726112 /nfs/dbraw/zinc/72/61/12/598726112.db2.gz ADEVIMHNGLDHRH-UHFFFAOYSA-N -1 1 398.431 0.497 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](CCO)C1 ZINC000822459829 607366673 /nfs/dbraw/zinc/36/66/73/607366673.db2.gz YEGGCPPIPCARBX-CYBMUJFWSA-N -1 1 384.444 0.690 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](CCO)C1 ZINC000822459829 607366674 /nfs/dbraw/zinc/36/66/74/607366674.db2.gz YEGGCPPIPCARBX-CYBMUJFWSA-N -1 1 384.444 0.690 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000737546733 598781466 /nfs/dbraw/zinc/78/14/66/598781466.db2.gz FPUUXDIDXBQLCM-SNVBAGLBSA-N -1 1 376.398 0.476 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000737546733 598781467 /nfs/dbraw/zinc/78/14/67/598781467.db2.gz FPUUXDIDXBQLCM-SNVBAGLBSA-N -1 1 376.398 0.476 20 0 GCADMM O=c1ccccn1CCN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000738379936 598794397 /nfs/dbraw/zinc/79/43/97/598794397.db2.gz KCWNMELANYICSH-UHFFFAOYSA-N -1 1 392.876 0.961 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC2(C1)OCCO2 ZINC000737486093 598807639 /nfs/dbraw/zinc/80/76/39/598807639.db2.gz AMQCQVLHTYJKIC-UHFFFAOYSA-N -1 1 398.427 0.434 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC2(C1)OCCO2 ZINC000737486093 598807641 /nfs/dbraw/zinc/80/76/41/598807641.db2.gz AMQCQVLHTYJKIC-UHFFFAOYSA-N -1 1 398.427 0.434 20 0 GCADMM O=C(CN1CCC2(C1)OCCO2)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737877045 598812223 /nfs/dbraw/zinc/81/22/23/598812223.db2.gz TYVIOFBWVHMUIH-UHFFFAOYSA-N -1 1 396.411 0.440 20 0 GCADMM O=C(CN1CCC2(C1)OCCO2)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737877045 598812225 /nfs/dbraw/zinc/81/22/25/598812225.db2.gz TYVIOFBWVHMUIH-UHFFFAOYSA-N -1 1 396.411 0.440 20 0 GCADMM O=C(C1CCCCC1)N1CCN(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC000737785392 598817589 /nfs/dbraw/zinc/81/75/89/598817589.db2.gz PDEULCGWNXQGGX-UHFFFAOYSA-N -1 1 385.476 0.793 20 0 GCADMM O=C(C1CCCCC1)N1CCN(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC000737785392 598817592 /nfs/dbraw/zinc/81/75/92/598817592.db2.gz PDEULCGWNXQGGX-UHFFFAOYSA-N -1 1 385.476 0.793 20 0 GCADMM CCc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000736699650 599293488 /nfs/dbraw/zinc/29/34/88/599293488.db2.gz MWONXZDLGVRZCX-NSHDSACASA-N -1 1 376.402 0.733 20 0 GCADMM CCc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000736699650 599293490 /nfs/dbraw/zinc/29/34/90/599293490.db2.gz MWONXZDLGVRZCX-NSHDSACASA-N -1 1 376.402 0.733 20 0 GCADMM CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820012285 599334650 /nfs/dbraw/zinc/33/46/50/599334650.db2.gz XLOVANZABMQMMT-UHFFFAOYSA-N -1 1 382.421 0.495 20 0 GCADMM CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820012285 599334653 /nfs/dbraw/zinc/33/46/53/599334653.db2.gz XLOVANZABMQMMT-UHFFFAOYSA-N -1 1 382.421 0.495 20 0 GCADMM O=C1NCCN1C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823547926 599338645 /nfs/dbraw/zinc/33/86/45/599338645.db2.gz QTLDFNYGTSTEST-UHFFFAOYSA-N -1 1 395.420 0.184 20 0 GCADMM O=C1NCCN1C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823547926 599338647 /nfs/dbraw/zinc/33/86/47/599338647.db2.gz QTLDFNYGTSTEST-UHFFFAOYSA-N -1 1 395.420 0.184 20 0 GCADMM CCc1nnc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1C ZINC000736706464 599342493 /nfs/dbraw/zinc/34/24/93/599342493.db2.gz LULUIHHHJFQPOJ-UHFFFAOYSA-N -1 1 386.416 0.951 20 0 GCADMM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000822864574 599343235 /nfs/dbraw/zinc/34/32/35/599343235.db2.gz DPJFEGCDMJGFEI-JTQLQIEISA-N -1 1 382.421 0.672 20 0 GCADMM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000822864574 599343236 /nfs/dbraw/zinc/34/32/36/599343236.db2.gz DPJFEGCDMJGFEI-JTQLQIEISA-N -1 1 382.421 0.672 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(c2cccnn2)CC1 ZINC000823605750 599344200 /nfs/dbraw/zinc/34/42/00/599344200.db2.gz APHOJSCFMWUMNJ-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(c2cccnn2)CC1 ZINC000823605750 599344203 /nfs/dbraw/zinc/34/42/03/599344203.db2.gz APHOJSCFMWUMNJ-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]1Cn1cncn1 ZINC000823600938 599345780 /nfs/dbraw/zinc/34/57/80/599345780.db2.gz MMSKZADKOBQOQF-NSHDSACASA-N -1 1 394.848 0.965 20 0 GCADMM COCCCOC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821687593 599348461 /nfs/dbraw/zinc/34/84/61/599348461.db2.gz GPWALEOKWWDYKI-UHFFFAOYSA-N -1 1 382.446 0.468 20 0 GCADMM COCCCOC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821687593 599348464 /nfs/dbraw/zinc/34/84/64/599348464.db2.gz GPWALEOKWWDYKI-UHFFFAOYSA-N -1 1 382.446 0.468 20 0 GCADMM CC[C@@](C)(NCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C(=O)OC ZINC000736315376 599356807 /nfs/dbraw/zinc/35/68/07/599356807.db2.gz IZIYWQLXYZZIOG-GOSISDBHSA-N -1 1 398.427 0.922 20 0 GCADMM CC[C@@](C)(NCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C(=O)OC ZINC000736315376 599356809 /nfs/dbraw/zinc/35/68/09/599356809.db2.gz IZIYWQLXYZZIOG-GOSISDBHSA-N -1 1 398.427 0.922 20 0 GCADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(-c3nn[nH]n3)ccc2F)o1 ZINC000821669681 599364420 /nfs/dbraw/zinc/36/44/20/599364420.db2.gz XOHHKAQCNGYRCG-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM CCO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000821346383 599367061 /nfs/dbraw/zinc/36/70/61/599367061.db2.gz HAFFVYNNWARCFF-VIFPVBQESA-N -1 1 394.417 0.563 20 0 GCADMM CCO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821346383 599367064 /nfs/dbraw/zinc/36/70/64/599367064.db2.gz HAFFVYNNWARCFF-VIFPVBQESA-N -1 1 394.417 0.563 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000823600862 599375428 /nfs/dbraw/zinc/37/54/28/599375428.db2.gz LFNMASGJSAVADK-SNVBAGLBSA-N -1 1 378.393 0.623 20 0 GCADMM O=S(=O)(c1cccc(F)c1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738353947 599396109 /nfs/dbraw/zinc/39/61/09/599396109.db2.gz FPZXGEBTHGYXRI-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM O=S(=O)(c1cccc(F)c1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738353947 599396112 /nfs/dbraw/zinc/39/61/12/599396112.db2.gz FPZXGEBTHGYXRI-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM O=S(=O)(c1ccc(F)cc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738355562 599396312 /nfs/dbraw/zinc/39/63/12/599396312.db2.gz QFSJEUBHCNBLIS-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM O=S(=O)(c1ccc(F)cc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738355562 599396315 /nfs/dbraw/zinc/39/63/15/599396315.db2.gz QFSJEUBHCNBLIS-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM O=S(=O)(c1ccccc1F)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738358367 599396886 /nfs/dbraw/zinc/39/68/86/599396886.db2.gz UUGZVKPSXKRNJM-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM O=S(=O)(c1ccccc1F)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738358367 599396888 /nfs/dbraw/zinc/39/68/88/599396888.db2.gz UUGZVKPSXKRNJM-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM O=S(=O)(C1CCOCC1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC000738320138 599443331 /nfs/dbraw/zinc/44/33/31/599443331.db2.gz VGOMYOJYZUHBES-UHFFFAOYSA-N -1 1 394.461 0.042 20 0 GCADMM O=S(=O)(C1CCOCC1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC000738320138 599443334 /nfs/dbraw/zinc/44/33/34/599443334.db2.gz VGOMYOJYZUHBES-UHFFFAOYSA-N -1 1 394.461 0.042 20 0 GCADMM Cc1oc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737551853 599448434 /nfs/dbraw/zinc/44/84/34/599448434.db2.gz JZDXXLUHZHZHTB-ONGXEEELSA-N -1 1 382.446 0.522 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000737201734 599470426 /nfs/dbraw/zinc/47/04/26/599470426.db2.gz VEYHMVMWUXBISL-GJAUWKINSA-N -1 1 392.485 0.885 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](Cc3ccc(F)cc3)C2)n(C)c1=O ZINC000737591522 599472888 /nfs/dbraw/zinc/47/28/88/599472888.db2.gz LFTRRUACBPMXJW-GFCCVEGCSA-N -1 1 385.403 0.472 20 0 GCADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736237508 599474036 /nfs/dbraw/zinc/47/40/36/599474036.db2.gz WXPWOIJPPJDIAP-CMPLNLGQSA-N -1 1 385.403 0.786 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1C ZINC000820637513 599492294 /nfs/dbraw/zinc/49/22/94/599492294.db2.gz YSDJBKYQKKYXMX-CYBMUJFWSA-N -1 1 389.441 0.454 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1C ZINC000820637513 599492296 /nfs/dbraw/zinc/49/22/96/599492296.db2.gz YSDJBKYQKKYXMX-CYBMUJFWSA-N -1 1 389.441 0.454 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821637509 599517699 /nfs/dbraw/zinc/51/76/99/599517699.db2.gz JEHDHGDIRXBXIH-VIFPVBQESA-N -1 1 376.398 0.859 20 0 GCADMM Cc1cc(C)n(-c2ccc(NCCCc3[nH]nc(N)c3-c3nn[n-]n3)nn2)n1 ZINC000737257131 599518312 /nfs/dbraw/zinc/51/83/12/599518312.db2.gz QQIDIXBWHPIOJE-UHFFFAOYSA-N -1 1 380.420 0.809 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2coc(-c3ccccc3)n2)n(C)c1=O ZINC000822599540 599585613 /nfs/dbraw/zinc/58/56/13/599585613.db2.gz DQBBATXKBXVPHQ-UHFFFAOYSA-N -1 1 380.368 0.531 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](C)CN2CCOCC2)cc1-c1nn[n-]n1 ZINC000737186107 599604544 /nfs/dbraw/zinc/60/45/44/599604544.db2.gz HAUCNWWOQJJLCY-JTQLQIEISA-N -1 1 393.473 0.387 20 0 GCADMM CCN1C[C@@H](COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1=O ZINC000736565567 599617905 /nfs/dbraw/zinc/61/79/05/599617905.db2.gz LTEQAMXEYWCWIG-LBPRGKRZSA-N -1 1 388.428 0.928 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)/C=C/C3CC3)CC2)o1 ZINC000822423318 599670170 /nfs/dbraw/zinc/67/01/70/599670170.db2.gz JFTNAPCBSOUXIK-SNAWJCMRSA-N -1 1 387.400 0.321 20 0 GCADMM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821367400 607388868 /nfs/dbraw/zinc/38/88/68/607388868.db2.gz INCFSQMVPBSUDZ-LBPRGKRZSA-N -1 1 387.393 0.204 20 0 GCADMM CCN1CCC(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])CC1 ZINC000737117205 599812934 /nfs/dbraw/zinc/81/29/34/599812934.db2.gz YUMDSSXGWQOCAD-UHFFFAOYSA-N -1 1 376.456 0.996 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nn1C ZINC000826269934 607396572 /nfs/dbraw/zinc/39/65/72/607396572.db2.gz CSURSVVSUHOEPE-NSHDSACASA-N -1 1 383.420 0.441 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nn1C ZINC000826269934 607396573 /nfs/dbraw/zinc/39/65/73/607396573.db2.gz CSURSVVSUHOEPE-NSHDSACASA-N -1 1 383.420 0.441 20 0 GCADMM CC(C)(O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC000736341189 599818211 /nfs/dbraw/zinc/81/82/11/599818211.db2.gz MVFGBZPYULMUGI-KRWDZBQOSA-N -1 1 375.469 0.413 20 0 GCADMM CCc1cc(=O)n2[nH]c(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])nc2n1 ZINC000737251661 599883295 /nfs/dbraw/zinc/88/32/95/599883295.db2.gz WDBUFTMFOOZCSP-UHFFFAOYSA-N -1 1 381.370 0.689 20 0 GCADMM CN1CCN(Cc2cccc(NC(=O)C(=O)NCCSCC(=O)[O-])c2)CC1 ZINC000737528511 599908991 /nfs/dbraw/zinc/90/89/91/599908991.db2.gz FVTAKMKXUHAKDN-UHFFFAOYSA-N -1 1 394.497 0.307 20 0 GCADMM Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(C)(C)C(=O)[O-])CC2)cc1C ZINC000738296383 599925372 /nfs/dbraw/zinc/92/53/72/599925372.db2.gz SHXQACAKKMHENP-UHFFFAOYSA-N -1 1 397.497 0.589 20 0 GCADMM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)C(=O)[O-] ZINC000736883585 599962238 /nfs/dbraw/zinc/96/22/38/599962238.db2.gz JOXBBRPCHVOQKK-JENIJYKNSA-N -1 1 398.548 0.329 20 0 GCADMM CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H]1CCCN(Cc2noc(C)n2)C1)C(=O)[O-] ZINC000736873892 599962598 /nfs/dbraw/zinc/96/25/98/599962598.db2.gz CCFGYHNXGBZLEG-QEORTHHSSA-N -1 1 381.477 0.890 20 0 GCADMM Cc1nc(CN2CCC[C@@H](N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)no1 ZINC000738856754 599962978 /nfs/dbraw/zinc/96/29/78/599962978.db2.gz GLZVYAGOYCTGFD-CABCVRRESA-N -1 1 381.477 0.890 20 0 GCADMM O=C(CN1CCO[C@H](C(=O)[O-])C1)Nc1cccc(CN2CCSCC2)c1 ZINC000676232205 599966425 /nfs/dbraw/zinc/96/64/25/599966425.db2.gz XCQQKVOFIVLMFE-INIZCTEOSA-N -1 1 379.482 0.959 20 0 GCADMM CCN1CCN(C2CCN([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)C1=O ZINC000737115557 599967101 /nfs/dbraw/zinc/96/71/01/599967101.db2.gz MQCMTLZFQXTOHE-CQSZACIVSA-N -1 1 380.489 0.920 20 0 GCADMM Cc1ccc(CN2CCCN(C(=O)CN3CCO[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000738281976 599968255 /nfs/dbraw/zinc/96/82/55/599968255.db2.gz JERBGWBAUSLOMQ-GOSISDBHSA-N -1 1 375.469 0.815 20 0 GCADMM CC[C@H]1CN(CCn2cccn2)CCN1[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736942981 599968431 /nfs/dbraw/zinc/96/84/31/599968431.db2.gz HKHVTKQJXVFVDR-AEFFLSMTSA-N -1 1 391.516 0.991 20 0 GCADMM O=C([O-])C1CCN(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)CC1 ZINC000738545207 599995875 /nfs/dbraw/zinc/99/58/75/599995875.db2.gz WILMARYUPDYLAC-UHFFFAOYSA-N -1 1 389.518 0.462 20 0 GCADMM COC(=O)CN(CC(=O)[O-])C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000737606265 600010288 /nfs/dbraw/zinc/01/02/88/600010288.db2.gz VQNBPBOTICIRCU-UHFFFAOYSA-N -1 1 379.394 0.162 20 0 GCADMM O=C([O-])[C@@H]1CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000738546995 600035858 /nfs/dbraw/zinc/03/58/58/600035858.db2.gz WETXLHAOTVFPGQ-KRWDZBQOSA-N -1 1 376.457 0.694 20 0 GCADMM CN(C1CCN(CCn2cccn2)CC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737387858 600084099 /nfs/dbraw/zinc/08/40/99/600084099.db2.gz VMGVHLAHHNPEAJ-UHFFFAOYSA-N -1 1 382.442 0.959 20 0 GCADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)CN2CCN(C)CC2)c1 ZINC000737652970 600099746 /nfs/dbraw/zinc/09/97/46/600099746.db2.gz FBBQZNVAEATDIO-GFCCVEGCSA-N -1 1 399.469 0.086 20 0 GCADMM 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O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccccc2O)CC1 ZINC000826494988 607574840 /nfs/dbraw/zinc/57/48/40/607574840.db2.gz XUMUCOXFVATLFC-UHFFFAOYSA-N -1 1 387.425 0.478 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)NC1CC1 ZINC000826412773 607580909 /nfs/dbraw/zinc/58/09/09/607580909.db2.gz COAUNJSWCSQHTA-UHFFFAOYSA-N -1 1 390.347 0.442 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC000826437442 607582943 /nfs/dbraw/zinc/58/29/43/607582943.db2.gz LWOGQGNKVZJIJJ-UHFFFAOYSA-N -1 1 396.816 0.821 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000826437442 607582944 /nfs/dbraw/zinc/58/29/44/607582944.db2.gz LWOGQGNKVZJIJJ-UHFFFAOYSA-N -1 1 396.816 0.821 20 0 GCADMM CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826073021 607583532 /nfs/dbraw/zinc/58/35/32/607583532.db2.gz ATBWXURVXJZUGU-UHFFFAOYSA-N -1 1 390.400 0.844 20 0 GCADMM CCN(C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1)c1cccnn1 ZINC000825419232 607587123 /nfs/dbraw/zinc/58/71/23/607587123.db2.gz LWMGXJUNMPFGEQ-CQSZACIVSA-N -1 1 395.427 0.419 20 0 GCADMM CCN(C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1)c1cccnn1 ZINC000825419232 607587124 /nfs/dbraw/zinc/58/71/24/607587124.db2.gz LWMGXJUNMPFGEQ-CQSZACIVSA-N -1 1 395.427 0.419 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)NCC(F)(F)F ZINC000826413057 607593072 /nfs/dbraw/zinc/59/30/72/607593072.db2.gz OSZAMBLSVHKFNE-UHFFFAOYSA-N -1 1 398.754 0.477 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)NCC(F)(F)F ZINC000826413057 607593073 /nfs/dbraw/zinc/59/30/73/607593073.db2.gz OSZAMBLSVHKFNE-UHFFFAOYSA-N -1 1 398.754 0.477 20 0 GCADMM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826053810 607594346 /nfs/dbraw/zinc/59/43/46/607594346.db2.gz ZYDIQAMNSDVYSB-LURJTMIESA-N -1 1 378.336 0.298 20 0 GCADMM O=S(=O)(NC1CCC2(CC1)OCCO2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488109 607590805 /nfs/dbraw/zinc/59/08/05/607590805.db2.gz IGDZXNDLYAVAMO-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1cccs1 ZINC000826437623 607590909 /nfs/dbraw/zinc/59/09/09/607590909.db2.gz UAXRZKQKIYDNNI-UHFFFAOYSA-N -1 1 396.429 0.776 20 0 GCADMM COCCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826160954 607597647 /nfs/dbraw/zinc/59/76/47/607597647.db2.gz NUTHDAVRBMOBMQ-UHFFFAOYSA-N -1 1 395.363 0.827 20 0 GCADMM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825296412 607601487 /nfs/dbraw/zinc/60/14/87/607601487.db2.gz HYHQWEMXNRRRKT-AWEZNQCLSA-N -1 1 394.457 0.899 20 0 GCADMM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825296412 607601489 /nfs/dbraw/zinc/60/14/89/607601489.db2.gz HYHQWEMXNRRRKT-AWEZNQCLSA-N -1 1 394.457 0.899 20 0 GCADMM CNC(=O)C1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000826053215 607602816 /nfs/dbraw/zinc/60/28/16/607602816.db2.gz WIBMRDGRXAAFOO-UHFFFAOYSA-N -1 1 384.849 0.857 20 0 GCADMM CNC(=O)C1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000826053215 607602817 /nfs/dbraw/zinc/60/28/17/607602817.db2.gz WIBMRDGRXAAFOO-UHFFFAOYSA-N -1 1 384.849 0.857 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Nc1cccnc1 ZINC000826413119 607603763 /nfs/dbraw/zinc/60/37/63/607603763.db2.gz RUPUYWHAUFLZLT-UHFFFAOYSA-N -1 1 377.361 0.318 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Nc1cccnc1 ZINC000826413119 607603764 /nfs/dbraw/zinc/60/37/64/607603764.db2.gz RUPUYWHAUFLZLT-UHFFFAOYSA-N -1 1 377.361 0.318 20 0 GCADMM CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825938688 607604571 /nfs/dbraw/zinc/60/45/71/607604571.db2.gz VYUUJRQBFATTHW-UHFFFAOYSA-N -1 1 386.865 0.473 20 0 GCADMM NC(=O)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826393530 607605075 /nfs/dbraw/zinc/60/50/75/607605075.db2.gz WOKDUSCWTKBSMG-UHFFFAOYSA-N -1 1 390.400 0.626 20 0 GCADMM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824506429 607605134 /nfs/dbraw/zinc/60/51/34/607605134.db2.gz OJWZIVVBAMEMJG-JTQLQIEISA-N -1 1 392.379 1.000 20 0 GCADMM Cc1nnnn1-c1cc(N)ccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826338149 607609630 /nfs/dbraw/zinc/60/96/30/607609630.db2.gz MGUJXZWKIYOGGY-UHFFFAOYSA-N -1 1 378.356 0.485 20 0 GCADMM Cc1nnnn1-c1cc(N)ccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826338149 607609632 /nfs/dbraw/zinc/60/96/32/607609632.db2.gz MGUJXZWKIYOGGY-UHFFFAOYSA-N -1 1 378.356 0.485 20 0 GCADMM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826157921 607610286 /nfs/dbraw/zinc/61/02/86/607610286.db2.gz RKCBHKNLTYDMSN-MRVPVSSYSA-N -1 1 388.837 0.031 20 0 GCADMM O=S(=O)(NCCN1CCSCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491092 607614096 /nfs/dbraw/zinc/61/40/96/607614096.db2.gz SXLJHPLBARMLAU-UHFFFAOYSA-N -1 1 388.906 0.847 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000826495421 607614205 /nfs/dbraw/zinc/61/42/05/607614205.db2.gz OPOFTVAMRCONDC-LBPRGKRZSA-N -1 1 393.404 0.292 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000826341096 607615837 /nfs/dbraw/zinc/61/58/37/607615837.db2.gz WMWAJDRFQSCECI-ZDUSSCGKSA-N -1 1 382.428 0.288 20 0 GCADMM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489036 607616191 /nfs/dbraw/zinc/61/61/91/607616191.db2.gz GIHOZPPDJLRHIN-QMMMGPOBSA-N -1 1 380.821 0.405 20 0 GCADMM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489036 607616192 /nfs/dbraw/zinc/61/61/92/607616192.db2.gz GIHOZPPDJLRHIN-QMMMGPOBSA-N -1 1 380.821 0.405 20 0 GCADMM CN1CCN(c2cc(CNC(=O)N[C@@H]3CCCN(C(=O)[O-])C3)ccn2)CC1 ZINC000737528717 603250353 /nfs/dbraw/zinc/25/03/53/603250353.db2.gz MHWRNOKIIWPCGJ-OAHLLOKOSA-N -1 1 376.461 0.775 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1ccnn1C ZINC000826328216 607619467 /nfs/dbraw/zinc/61/94/67/607619467.db2.gz JJODTBQQJZECNL-UHFFFAOYSA-N -1 1 381.400 0.936 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1ccnn1C ZINC000826328216 607619468 /nfs/dbraw/zinc/61/94/68/607619468.db2.gz JJODTBQQJZECNL-UHFFFAOYSA-N -1 1 381.400 0.936 20 0 GCADMM C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCS1(=O)=O ZINC000824857081 607619792 /nfs/dbraw/zinc/61/97/92/607619792.db2.gz AEWCFRFIKCKMNG-DTWKUNHWSA-N -1 1 389.434 0.202 20 0 GCADMM C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCS1(=O)=O ZINC000824857081 607619794 /nfs/dbraw/zinc/61/97/94/607619794.db2.gz AEWCFRFIKCKMNG-DTWKUNHWSA-N -1 1 389.434 0.202 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCS(=O)(=O)CC1 ZINC000826496886 607621024 /nfs/dbraw/zinc/62/10/24/607621024.db2.gz MRMUDTRKOYFNHS-UHFFFAOYSA-N -1 1 391.862 0.329 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCS(=O)(=O)CC1 ZINC000826496886 607621026 /nfs/dbraw/zinc/62/10/26/607621026.db2.gz MRMUDTRKOYFNHS-UHFFFAOYSA-N -1 1 391.862 0.329 20 0 GCADMM CN1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737530794 603312783 /nfs/dbraw/zinc/31/27/83/603312783.db2.gz WXILRSGVPFXBKW-CQSZACIVSA-N -1 1 389.456 0.636 20 0 GCADMM O=S(=O)(N[C@H](CO)Cc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487492 607623704 /nfs/dbraw/zinc/62/37/04/607623704.db2.gz PWFMBLNQZUGBTB-ZDUSSCGKSA-N -1 1 377.401 0.888 20 0 GCADMM O=S(=O)(NC[C@H](O)COc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489597 607627083 /nfs/dbraw/zinc/62/70/83/607627083.db2.gz UZKYLTQLWYFNTB-NSHDSACASA-N -1 1 393.400 0.724 20 0 GCADMM O=S(=O)(NC[C@H](O)COc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489597 607627085 /nfs/dbraw/zinc/62/70/85/607627085.db2.gz UZKYLTQLWYFNTB-NSHDSACASA-N -1 1 393.400 0.724 20 0 GCADMM O=S(=O)(NC[C@H](O)COc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489567 607630316 /nfs/dbraw/zinc/63/03/16/607630316.db2.gz UKQKICVPGGPRQZ-NSHDSACASA-N -1 1 394.388 0.119 20 0 GCADMM O=S(=O)(NC[C@H](O)COc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489567 607630317 /nfs/dbraw/zinc/63/03/17/607630317.db2.gz UKQKICVPGGPRQZ-NSHDSACASA-N -1 1 394.388 0.119 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](O)c1ccc(F)cc1 ZINC000824640490 607636386 /nfs/dbraw/zinc/63/63/86/607636386.db2.gz JTNJUVWEBJFXKU-LKFCYVNXSA-N -1 1 378.389 0.801 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](O)c1ccc(F)cc1 ZINC000824640490 607636387 /nfs/dbraw/zinc/63/63/87/607636387.db2.gz JTNJUVWEBJFXKU-LKFCYVNXSA-N -1 1 378.389 0.801 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)c1ccc(F)cc1 ZINC000824640492 607636466 /nfs/dbraw/zinc/63/64/66/607636466.db2.gz JTNJUVWEBJFXKU-XPTSAGLGSA-N -1 1 378.389 0.801 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)c1ccc(F)cc1 ZINC000824640492 607636467 /nfs/dbraw/zinc/63/64/67/607636467.db2.gz JTNJUVWEBJFXKU-XPTSAGLGSA-N -1 1 378.389 0.801 20 0 GCADMM COc1ccc([C@@H](CO)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826189127 607637865 /nfs/dbraw/zinc/63/78/65/607637865.db2.gz OAQRSIIONSEVRA-OAHLLOKOSA-N -1 1 390.425 0.624 20 0 GCADMM COc1ccc([C@@H](CO)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826189127 607637866 /nfs/dbraw/zinc/63/78/66/607637866.db2.gz OAQRSIIONSEVRA-OAHLLOKOSA-N -1 1 390.425 0.624 20 0 GCADMM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825012796 607639632 /nfs/dbraw/zinc/63/96/32/607639632.db2.gz LTJKHHNKVVLSMP-MRVPVSSYSA-N -1 1 391.862 0.328 20 0 GCADMM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825012796 607639633 /nfs/dbraw/zinc/63/96/33/607639633.db2.gz LTJKHHNKVVLSMP-MRVPVSSYSA-N -1 1 391.862 0.328 20 0 GCADMM O=S(=O)(NCCCOC[C@@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490615 607642168 /nfs/dbraw/zinc/64/21/68/607642168.db2.gz BIPHKKFUPOMKDH-NSHDSACASA-N -1 1 385.421 0.727 20 0 GCADMM O=S(=O)(NCCCOC[C@@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490615 607642169 /nfs/dbraw/zinc/64/21/69/607642169.db2.gz BIPHKKFUPOMKDH-NSHDSACASA-N -1 1 385.421 0.727 20 0 GCADMM COCCOC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826161237 607648976 /nfs/dbraw/zinc/64/89/76/607648976.db2.gz YJHRKMZPMDEELD-VIFPVBQESA-N -1 1 375.838 0.850 20 0 GCADMM COCCOC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826161237 607648977 /nfs/dbraw/zinc/64/89/77/607648977.db2.gz YJHRKMZPMDEELD-VIFPVBQESA-N -1 1 375.838 0.850 20 0 GCADMM CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825122052 607654098 /nfs/dbraw/zinc/65/40/98/607654098.db2.gz WPLFWJSJQQWDKB-NSHDSACASA-N -1 1 384.437 0.083 20 0 GCADMM CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825122052 607654099 /nfs/dbraw/zinc/65/40/99/607654099.db2.gz WPLFWJSJQQWDKB-NSHDSACASA-N -1 1 384.437 0.083 20 0 GCADMM CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825499344 607652594 /nfs/dbraw/zinc/65/25/94/607652594.db2.gz KSOCXJNFBNJARI-UHFFFAOYSA-N -1 1 399.404 0.085 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](n2cncn2)C1 ZINC000826495794 607656777 /nfs/dbraw/zinc/65/67/77/607656777.db2.gz BQKGKHODVCDWRX-JTQLQIEISA-N -1 1 378.393 0.623 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](n2cncn2)C1 ZINC000826495794 607656780 /nfs/dbraw/zinc/65/67/80/607656780.db2.gz BQKGKHODVCDWRX-JTQLQIEISA-N -1 1 378.393 0.623 20 0 GCADMM CC(C)(C)N1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1=O ZINC000824093056 607658523 /nfs/dbraw/zinc/65/85/23/607658523.db2.gz DDWXIOVIVPWAHI-JTQLQIEISA-N -1 1 382.421 0.684 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000824994199 607665868 /nfs/dbraw/zinc/66/58/68/607665868.db2.gz UFMPBBWHNGYGST-YPMHNXCESA-N -1 1 396.448 0.347 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000824994199 607665869 /nfs/dbraw/zinc/66/58/69/607665869.db2.gz UFMPBBWHNGYGST-YPMHNXCESA-N -1 1 396.448 0.347 20 0 GCADMM O=S(=O)(NCCc1nnc2ccccn21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491561 607666162 /nfs/dbraw/zinc/66/61/62/607666162.db2.gz PHVOLXGFXQLBJB-UHFFFAOYSA-N -1 1 388.388 0.570 20 0 GCADMM CN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C(C)(C)C1=O ZINC000826038358 607669410 /nfs/dbraw/zinc/66/94/10/607669410.db2.gz LDTIGSOHFIPCFI-UHFFFAOYSA-N -1 1 384.849 0.761 20 0 GCADMM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824406557 607673281 /nfs/dbraw/zinc/67/32/81/607673281.db2.gz MTYAHJBXAFYBRK-QMMMGPOBSA-N -1 1 393.878 0.622 20 0 GCADMM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824406557 607673282 /nfs/dbraw/zinc/67/32/82/607673282.db2.gz MTYAHJBXAFYBRK-QMMMGPOBSA-N -1 1 393.878 0.622 20 0 GCADMM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824407596 607673296 /nfs/dbraw/zinc/67/32/96/607673296.db2.gz YDGMAUDPHKIGPK-QMMMGPOBSA-N -1 1 377.423 0.107 20 0 GCADMM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824407596 607673297 /nfs/dbraw/zinc/67/32/97/607673297.db2.gz YDGMAUDPHKIGPK-QMMMGPOBSA-N -1 1 377.423 0.107 20 0 GCADMM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825471525 607671965 /nfs/dbraw/zinc/67/19/65/607671965.db2.gz VVWXNQSVIMHXCR-SNVBAGLBSA-N -1 1 383.409 0.088 20 0 GCADMM C[C@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[S@](C)=O ZINC000824400867 607674507 /nfs/dbraw/zinc/67/45/07/607674507.db2.gz LWALJDYKNBYGBI-PJLCYMMNSA-N -1 1 377.879 0.956 20 0 GCADMM C[C@H](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[S@](C)=O 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C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCC(O)(C(=O)[O-])CC2)CC1 ZINC000833549026 604724383 /nfs/dbraw/zinc/72/43/83/604724383.db2.gz OMGSOLMRAGTSHL-MRXNPFEDSA-N -1 1 375.469 0.803 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833402073 604725516 /nfs/dbraw/zinc/72/55/16/604725516.db2.gz ANHHTQGEIDXELB-ZIAGYGMSSA-N -1 1 378.425 0.585 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H]3CC(=O)[O-])cc2)[nH]1 ZINC000831188967 604749916 /nfs/dbraw/zinc/74/99/16/604749916.db2.gz MMASVGWRRXJOKD-HNNXBMFYSA-N -1 1 387.392 0.960 20 0 GCADMM C[C@H](O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C[C@H]1C ZINC000827803992 604753029 /nfs/dbraw/zinc/75/30/29/604753029.db2.gz QMUFFDXMGYWULR-RVKKMQEKSA-N -1 1 375.469 0.411 20 0 GCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nnnn1-c1ccccc1 ZINC000826294963 607716766 /nfs/dbraw/zinc/71/67/66/607716766.db2.gz LERLTDPENWXDSA-UHFFFAOYSA-N -1 1 386.379 0.909 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000830627095 604890380 /nfs/dbraw/zinc/89/03/80/604890380.db2.gz WLJNFZJVXDXRJC-UHFFFAOYSA-N -1 1 385.423 0.831 20 0 GCADMM CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833495928 604895814 /nfs/dbraw/zinc/89/58/14/604895814.db2.gz GSOZUCLILBLIFB-HNNXBMFYSA-N -1 1 394.453 0.864 20 0 GCADMM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000833490155 604895872 /nfs/dbraw/zinc/89/58/72/604895872.db2.gz XZOPJCAXJLZPRX-ZFWWWQNUSA-N -1 1 379.461 0.989 20 0 GCADMM CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833505128 604900932 /nfs/dbraw/zinc/90/09/32/604900932.db2.gz WNJBIADGEVYNSN-AWEZNQCLSA-N -1 1 380.426 0.522 20 0 GCADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000833404329 604921492 /nfs/dbraw/zinc/92/14/92/604921492.db2.gz ORJPOCPHVHUPBN-BBRMVZONSA-N -1 1 378.473 0.877 20 0 GCADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000833404330 604921906 /nfs/dbraw/zinc/92/19/06/604921906.db2.gz 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WIDVEGSOGICJRD-CYBMUJFWSA-N -1 1 383.470 0.558 20 0 GCADMM CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833505152 605157063 /nfs/dbraw/zinc/15/70/63/605157063.db2.gz XQTSHMGZTTVZAT-CQSZACIVSA-N -1 1 397.497 0.994 20 0 GCADMM CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833504347 605157332 /nfs/dbraw/zinc/15/73/32/605157332.db2.gz GXWAPPNNQBLZNR-AWEZNQCLSA-N -1 1 397.497 0.994 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000833628665 605191737 /nfs/dbraw/zinc/19/17/37/605191737.db2.gz NHDUZVSKADIYSI-CQSZACIVSA-N -1 1 376.457 0.808 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833523883 605203230 /nfs/dbraw/zinc/20/32/30/605203230.db2.gz ZULCAGIDXOXCGR-NEPJUHHUSA-N -1 1 389.499 0.422 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000833623131 605204962 /nfs/dbraw/zinc/20/49/62/605204962.db2.gz DOLDAGHCQMLJRW-HXPMCKFVSA-N -1 1 388.424 0.362 20 0 GCADMM CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000833489221 605244729 /nfs/dbraw/zinc/24/47/29/605244729.db2.gz YEWZZFZNWGWJAE-CRAIPNDOSA-N -1 1 391.468 0.812 20 0 GCADMM CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833505164 605255957 /nfs/dbraw/zinc/25/59/57/605255957.db2.gz YGBJSFKPIRLDBV-AWEZNQCLSA-N -1 1 397.497 0.994 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833522763 605276029 /nfs/dbraw/zinc/27/60/29/605276029.db2.gz FLXXSCKFSKNXDK-NEPJUHHUSA-N -1 1 389.499 0.422 20 0 GCADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)ccc1OCC(N)=O ZINC000833726546 605276212 /nfs/dbraw/zinc/27/62/12/605276212.db2.gz FSNAYNLWASWDIA-LBPRGKRZSA-N -1 1 379.413 0.180 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CC[N@H+]1CCC(=O)[O-] ZINC000833620364 605276796 /nfs/dbraw/zinc/27/67/96/605276796.db2.gz HAUJSBXFONFHTK-NSHDSACASA-N -1 1 390.465 0.843 20 0 GCADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc(S(N)(=O)=O)c1C ZINC000833742412 605277302 /nfs/dbraw/zinc/27/73/02/605277302.db2.gz MTOVSSUVNMIDQB-GFCCVEGCSA-N -1 1 383.470 0.572 20 0 GCADMM C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CCN1CCC(=O)[O-] ZINC000833618620 605277950 /nfs/dbraw/zinc/27/79/50/605277950.db2.gz PMZLTWQNNGRZEA-SIIHOXLZSA-N -1 1 391.472 0.337 20 0 GCADMM CCS(=O)(=O)NCc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833665823 605280245 /nfs/dbraw/zinc/28/02/45/605280245.db2.gz OJIRLUPGGDRQFA-AWEZNQCLSA-N -1 1 397.497 0.747 20 0 GCADMM C[C@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1nnc[nH]1 ZINC000833520623 605507290 /nfs/dbraw/zinc/50/72/90/605507290.db2.gz GJOQCCNDGHPDKC-JTQLQIEISA-N -1 1 381.414 0.365 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000833767845 605529690 /nfs/dbraw/zinc/52/96/90/605529690.db2.gz RLHOXLFCMPEMQH-WCFLWFBJSA-N -1 1 376.394 0.226 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000833618902 605532668 /nfs/dbraw/zinc/53/26/68/605532668.db2.gz GJORKFBNULNVSY-HFBAOOFYSA-N -1 1 393.465 0.698 20 0 GCADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)c3cnc(C(=O)[O-])cn3)CC2)C1 ZINC000833502000 605565007 /nfs/dbraw/zinc/56/50/07/605565007.db2.gz LRVHVJKYVOOFLE-CQSZACIVSA-N -1 1 377.445 0.042 20 0 GCADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cnc(C(=O)[O-])cn2)CC1 ZINC000833430657 605568140 /nfs/dbraw/zinc/56/81/40/605568140.db2.gz AXILXRRPBDNNMM-UHFFFAOYSA-N -1 1 377.445 0.531 20 0 GCADMM COc1cc(NCCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc(OC)c1 ZINC000826180598 607764093 /nfs/dbraw/zinc/76/40/93/607764093.db2.gz OLTGMIOOBLEUKZ-UHFFFAOYSA-N -1 1 387.404 0.851 20 0 GCADMM COc1cc(NCCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc(OC)c1 ZINC000826180598 607764094 /nfs/dbraw/zinc/76/40/94/607764094.db2.gz OLTGMIOOBLEUKZ-UHFFFAOYSA-N -1 1 387.404 0.851 20 0 GCADMM COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000833724987 605919828 /nfs/dbraw/zinc/91/98/28/605919828.db2.gz WJNPLCBOVFBVPH-GFCCVEGCSA-N -1 1 379.413 0.559 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCCN1CCCC1=O ZINC000823027355 606132908 /nfs/dbraw/zinc/13/29/08/606132908.db2.gz RZEAYLNOLQVFJN-UHFFFAOYSA-N -1 1 378.414 0.214 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCCN1CCCC1=O ZINC000823027355 606132910 /nfs/dbraw/zinc/13/29/10/606132910.db2.gz RZEAYLNOLQVFJN-UHFFFAOYSA-N -1 1 378.414 0.214 20 0 GCADMM O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823405970 606133206 /nfs/dbraw/zinc/13/32/06/606133206.db2.gz YSPUIIYNOOEKEM-UHFFFAOYSA-N -1 1 376.398 0.950 20 0 GCADMM O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823405970 606133207 /nfs/dbraw/zinc/13/32/07/606133207.db2.gz YSPUIIYNOOEKEM-UHFFFAOYSA-N -1 1 376.398 0.950 20 0 GCADMM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC000820861919 606135116 /nfs/dbraw/zinc/13/51/16/606135116.db2.gz OPQSXQONPMVNFQ-PRHODGIISA-N -1 1 381.414 0.789 20 0 GCADMM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC000820861919 606135118 /nfs/dbraw/zinc/13/51/18/606135118.db2.gz OPQSXQONPMVNFQ-PRHODGIISA-N -1 1 381.414 0.789 20 0 GCADMM CC(C)OCCS(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000820146642 606141835 /nfs/dbraw/zinc/14/18/35/606141835.db2.gz PUJABQGVCWCOHM-UHFFFAOYSA-N -1 1 381.462 0.139 20 0 GCADMM CC(C)OCCS(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000820146642 606141836 /nfs/dbraw/zinc/14/18/36/606141836.db2.gz PUJABQGVCWCOHM-UHFFFAOYSA-N -1 1 381.462 0.139 20 0 GCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821769649 606146420 /nfs/dbraw/zinc/14/64/20/606146420.db2.gz JLRFISFDVBOYAC-UHFFFAOYSA-N -1 1 395.375 0.918 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(=O)Nc2cccc3cccnc32)n1 ZINC000822614790 606156361 /nfs/dbraw/zinc/15/63/61/606156361.db2.gz SHNSXVDGLBSJHJ-UHFFFAOYSA-N -1 1 392.383 0.909 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(=O)Nc2cccc3cccnc32)n1 ZINC000822614790 606156363 /nfs/dbraw/zinc/15/63/63/606156363.db2.gz SHNSXVDGLBSJHJ-UHFFFAOYSA-N -1 1 392.383 0.909 20 0 GCADMM CC(C)COC(=O)N1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820096663 606161927 /nfs/dbraw/zinc/16/19/27/606161927.db2.gz DVKZNDRBVVDADR-UHFFFAOYSA-N -1 1 377.409 0.542 20 0 GCADMM CC(C)COC(=O)N1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820096663 606161930 /nfs/dbraw/zinc/16/19/30/606161930.db2.gz DVKZNDRBVVDADR-UHFFFAOYSA-N -1 1 377.409 0.542 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000822620488 606163273 /nfs/dbraw/zinc/16/32/73/606163273.db2.gz SVPADHBOHZGZTG-UHFFFAOYSA-N -1 1 390.429 0.467 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000822620488 606163275 /nfs/dbraw/zinc/16/32/75/606163275.db2.gz SVPADHBOHZGZTG-UHFFFAOYSA-N -1 1 390.429 0.467 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC[C@H]2CN2CCOCC2)n1 ZINC000822608204 606165612 /nfs/dbraw/zinc/16/56/12/606165612.db2.gz AOFCGCSBOSMGHF-LBPRGKRZSA-N -1 1 375.437 0.319 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(NS(C)(=O)=O)c2)n1 ZINC000822620571 606166524 /nfs/dbraw/zinc/16/65/24/606166524.db2.gz XHBCKSCBVAJHSP-UHFFFAOYSA-N -1 1 391.417 0.293 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(NS(C)(=O)=O)c2)n1 ZINC000822620571 606166525 /nfs/dbraw/zinc/16/65/25/606166525.db2.gz XHBCKSCBVAJHSP-UHFFFAOYSA-N -1 1 391.417 0.293 20 0 GCADMM CCc1nsc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000821558956 606168187 /nfs/dbraw/zinc/16/81/87/606168187.db2.gz MFAXOLGUAPOQNZ-UHFFFAOYSA-N -1 1 389.449 0.368 20 0 GCADMM CCc1nsc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000821558956 606168189 /nfs/dbraw/zinc/16/81/89/606168189.db2.gz MFAXOLGUAPOQNZ-UHFFFAOYSA-N -1 1 389.449 0.368 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 ZINC000822609643 606173724 /nfs/dbraw/zinc/17/37/24/606173724.db2.gz SSPQZJDSDCUNHJ-UHFFFAOYSA-N -1 1 396.415 0.053 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 ZINC000822609643 606173725 /nfs/dbraw/zinc/17/37/25/606173725.db2.gz SSPQZJDSDCUNHJ-UHFFFAOYSA-N -1 1 396.415 0.053 20 0 GCADMM CC(C)=C(C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000820004747 606192246 /nfs/dbraw/zinc/19/22/46/606192246.db2.gz ATFPWZWVGBQODT-UHFFFAOYSA-N -1 1 389.416 0.711 20 0 GCADMM C[C@]1(C2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613252 606198498 /nfs/dbraw/zinc/19/84/98/606198498.db2.gz XSUJQFDJWFQOST-CYBMUJFWSA-N -1 1 382.837 0.791 20 0 GCADMM C[C@]1(C2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613252 606198499 /nfs/dbraw/zinc/19/84/99/606198499.db2.gz XSUJQFDJWFQOST-CYBMUJFWSA-N -1 1 382.837 0.791 20 0 GCADMM CNC(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000821634021 606291571 /nfs/dbraw/zinc/29/15/71/606291571.db2.gz OFWZTKDEJPHWLG-UHFFFAOYSA-N -1 1 384.400 0.656 20 0 GCADMM CNC(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000821634021 606291573 /nfs/dbraw/zinc/29/15/73/606291573.db2.gz OFWZTKDEJPHWLG-UHFFFAOYSA-N -1 1 384.400 0.656 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)COCC2CC2)cc1-c1nn[n-]n1 ZINC000821979614 606291712 /nfs/dbraw/zinc/29/17/12/606291712.db2.gz ULRXPVJEUVMXEK-SECBINFHSA-N -1 1 380.430 0.207 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)COCC(C)C)cc1-c1nn[n-]n1 ZINC000821978395 606292184 /nfs/dbraw/zinc/29/21/84/606292184.db2.gz MDNQFZMXPOGNMD-SECBINFHSA-N -1 1 382.446 0.453 20 0 GCADMM Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822466816 606292890 /nfs/dbraw/zinc/29/28/90/606292890.db2.gz BTWQOHNMGFDQKJ-UHFFFAOYSA-N -1 1 380.372 0.390 20 0 GCADMM O=C(CCCS(=O)(=O)N1CCCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822959344 606294417 /nfs/dbraw/zinc/29/44/17/606294417.db2.gz ZEXIGFGSJSLKIK-UHFFFAOYSA-N -1 1 380.430 0.717 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000822534811 606294752 /nfs/dbraw/zinc/29/47/52/606294752.db2.gz AENYHDUAKHXDKG-LLVKDONJSA-N -1 1 397.395 0.825 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000822534811 606294753 /nfs/dbraw/zinc/29/47/53/606294753.db2.gz AENYHDUAKHXDKG-LLVKDONJSA-N -1 1 397.395 0.825 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000823294825 606296278 /nfs/dbraw/zinc/29/62/78/606296278.db2.gz STTGVBRKUOEDJK-UHFFFAOYSA-N -1 1 393.363 0.876 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000822005984 606310995 /nfs/dbraw/zinc/31/09/95/606310995.db2.gz WHKMWLVHXQDLTK-UHFFFAOYSA-N -1 1 385.428 0.350 20 0 GCADMM CC(=O)[C@@H](C)SCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000819781620 606311768 /nfs/dbraw/zinc/31/17/68/606311768.db2.gz AXALLFSCCRTWOV-SNVBAGLBSA-N -1 1 379.446 0.522 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)n1 ZINC000822609556 606346677 /nfs/dbraw/zinc/34/66/77/606346677.db2.gz QAYCVPDNECFUCX-LBPRGKRZSA-N -1 1 376.421 0.792 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)n1 ZINC000822609556 606346679 /nfs/dbraw/zinc/34/66/79/606346679.db2.gz QAYCVPDNECFUCX-LBPRGKRZSA-N -1 1 376.421 0.792 20 0 GCADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820995627 606433390 /nfs/dbraw/zinc/43/33/90/606433390.db2.gz VDQLHMVMXRTYKD-QWHCGFSZSA-N -1 1 393.473 0.672 20 0 GCADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820995627 606433393 /nfs/dbraw/zinc/43/33/93/606433393.db2.gz VDQLHMVMXRTYKD-QWHCGFSZSA-N -1 1 393.473 0.672 20 0 GCADMM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821656885 606433912 /nfs/dbraw/zinc/43/39/12/606433912.db2.gz BFWFXZVBELFPCK-VIFPVBQESA-N -1 1 387.805 0.083 20 0 GCADMM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821656885 606433914 /nfs/dbraw/zinc/43/39/14/606433914.db2.gz BFWFXZVBELFPCK-VIFPVBQESA-N -1 1 387.805 0.083 20 0 GCADMM C[C@@H]1CO[C@H](c2ccccc2)CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820803470 606475159 /nfs/dbraw/zinc/47/51/59/606475159.db2.gz AKLVMQGLWKGMOV-YPMHNXCESA-N -1 1 383.412 0.231 20 0 GCADMM Cc1ccccc1[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H](C)CO1 ZINC000822351618 606476026 /nfs/dbraw/zinc/47/60/26/606476026.db2.gz PLLVKAJSJVTAPR-TZMCWYRMSA-N -1 1 397.439 0.539 20 0 GCADMM CCO[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(CC)CC ZINC000821358675 606477202 /nfs/dbraw/zinc/47/72/02/606477202.db2.gz JYNNCVSSABSKLC-QWRGUYRKSA-N -1 1 377.449 0.660 20 0 GCADMM COC(=O)[C@@]1(F)CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821653556 606505670 /nfs/dbraw/zinc/50/56/70/606505670.db2.gz DSLCPKLKMOERJG-XXFAHNHDSA-N -1 1 380.380 0.991 20 0 GCADMM COC(=O)[C@]1(F)CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821653553 606505901 /nfs/dbraw/zinc/50/59/01/606505901.db2.gz DSLCPKLKMOERJG-ABKXIKBNSA-N -1 1 380.380 0.991 20 0 GCADMM COC(=O)[C@@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000821640520 606522411 /nfs/dbraw/zinc/52/24/11/606522411.db2.gz KBLKBCRIWGINRN-HNNXBMFYSA-N -1 1 398.427 0.527 20 0 GCADMM COC(=O)[C@@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000821640520 606522413 /nfs/dbraw/zinc/52/24/13/606522413.db2.gz KBLKBCRIWGINRN-HNNXBMFYSA-N -1 1 398.427 0.527 20 0 GCADMM CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821637390 606524538 /nfs/dbraw/zinc/52/45/38/606524538.db2.gz DHMJZYUXLRSZPF-UHFFFAOYSA-N -1 1 378.439 0.766 20 0 GCADMM CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821637390 606524540 /nfs/dbraw/zinc/52/45/40/606524540.db2.gz DHMJZYUXLRSZPF-UHFFFAOYSA-N -1 1 378.439 0.766 20 0 GCADMM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823170559 606532020 /nfs/dbraw/zinc/53/20/20/606532020.db2.gz DWHGDPGEOJBMHR-HNNXBMFYSA-N -1 1 380.499 0.866 20 0 GCADMM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823170559 606532023 /nfs/dbraw/zinc/53/20/23/606532023.db2.gz DWHGDPGEOJBMHR-HNNXBMFYSA-N -1 1 380.499 0.866 20 0 GCADMM COc1cc(NC(=O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1 ZINC000821720562 606544844 /nfs/dbraw/zinc/54/48/44/606544844.db2.gz VBYWBNGAWHGEAH-UHFFFAOYSA-N -1 1 397.395 0.990 20 0 GCADMM COc1cc(NC(=O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1 ZINC000821720562 606544846 /nfs/dbraw/zinc/54/48/46/606544846.db2.gz VBYWBNGAWHGEAH-UHFFFAOYSA-N -1 1 397.395 0.990 20 0 GCADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820989728 606579610 /nfs/dbraw/zinc/57/96/10/606579610.db2.gz ZQCKHUDJYMPQKZ-NWDGAFQWSA-N -1 1 375.437 0.853 20 0 GCADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820989728 606579611 /nfs/dbraw/zinc/57/96/11/606579611.db2.gz ZQCKHUDJYMPQKZ-NWDGAFQWSA-N -1 1 375.437 0.853 20 0 GCADMM CC[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1cccc(F)c1 ZINC000820909668 606608974 /nfs/dbraw/zinc/60/89/74/606608974.db2.gz ZQWUZSOKLRXVKJ-LLVKDONJSA-N -1 1 389.391 0.673 20 0 GCADMM CC[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1cccc(F)c1 ZINC000820909670 606609044 /nfs/dbraw/zinc/60/90/44/606609044.db2.gz ZQWUZSOKLRXVKJ-NSHDSACASA-N -1 1 389.391 0.673 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000822006192 606626006 /nfs/dbraw/zinc/62/60/06/606626006.db2.gz YONOAWQRUPVHFI-MFKMUULPSA-N -1 1 390.444 0.827 20 0 GCADMM CS(=O)(=O)NCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])o1 ZINC000821937475 606633084 /nfs/dbraw/zinc/63/30/84/606633084.db2.gz NDWLOJXARYVMTR-UHFFFAOYSA-N -1 1 378.370 0.467 20 0 GCADMM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819855846 606691285 /nfs/dbraw/zinc/69/12/85/606691285.db2.gz FZTBURNLOXKBKF-GFCCVEGCSA-N -1 1 389.485 0.697 20 0 GCADMM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819855846 606691286 /nfs/dbraw/zinc/69/12/86/606691286.db2.gz FZTBURNLOXKBKF-GFCCVEGCSA-N -1 1 389.485 0.697 20 0 GCADMM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000819857304 606691351 /nfs/dbraw/zinc/69/13/51/606691351.db2.gz QTPWFPDWYDGRDT-ZDUSSCGKSA-N -1 1 384.444 0.030 20 0 GCADMM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000819857304 606691352 /nfs/dbraw/zinc/69/13/52/606691352.db2.gz QTPWFPDWYDGRDT-ZDUSSCGKSA-N -1 1 384.444 0.030 20 0 GCADMM COC(=O)[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C[C@H]1C ZINC000821655059 606691444 /nfs/dbraw/zinc/69/14/44/606691444.db2.gz DMEVBDWOKUKQTP-NOZJJQNGSA-N -1 1 388.428 0.784 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN(C)C(=O)C1(C)C ZINC000822005443 606692406 /nfs/dbraw/zinc/69/24/06/606692406.db2.gz RLDQNTBNAADQTN-UHFFFAOYSA-N -1 1 387.444 0.596 20 0 GCADMM COC(=O)c1sccc1Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC000821666726 606703767 /nfs/dbraw/zinc/70/37/67/606703767.db2.gz BIWUSKDKYAHQES-UHFFFAOYSA-N -1 1 375.366 0.711 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000820385425 606727458 /nfs/dbraw/zinc/72/74/58/606727458.db2.gz RUBKQJGEHDFXCC-WDEREUQCSA-N -1 1 376.421 0.775 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000820385425 606727460 /nfs/dbraw/zinc/72/74/60/606727460.db2.gz RUBKQJGEHDFXCC-WDEREUQCSA-N -1 1 376.421 0.775 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000820385422 606727471 /nfs/dbraw/zinc/72/74/71/606727471.db2.gz RUBKQJGEHDFXCC-GHMZBOCLSA-N -1 1 376.421 0.775 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000820385422 606727472 /nfs/dbraw/zinc/72/74/72/606727472.db2.gz RUBKQJGEHDFXCC-GHMZBOCLSA-N -1 1 376.421 0.775 20 0 GCADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC000821628969 606739505 /nfs/dbraw/zinc/73/95/05/606739505.db2.gz VQPFKOKHHZATSN-GHMZBOCLSA-N -1 1 384.849 0.224 20 0 GCADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC000821628969 606739507 /nfs/dbraw/zinc/73/95/07/606739507.db2.gz VQPFKOKHHZATSN-GHMZBOCLSA-N -1 1 384.849 0.224 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000822005839 606752619 /nfs/dbraw/zinc/75/26/19/606752619.db2.gz UHPVPFAEPZAXGK-ZIAGYGMSSA-N -1 1 387.444 0.058 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000822535257 606752702 /nfs/dbraw/zinc/75/27/02/606752702.db2.gz LFTLQCZFEUWMCS-STQMWFEESA-N -1 1 383.412 0.714 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000822535257 606752703 /nfs/dbraw/zinc/75/27/03/606752703.db2.gz LFTLQCZFEUWMCS-STQMWFEESA-N -1 1 383.412 0.714 20 0 GCADMM Cc1oc(NC(=O)COC(=O)c2cc(C(N)=O)cn2C)c(-c2nn[n-]n2)c1C ZINC000822549152 606760391 /nfs/dbraw/zinc/76/03/91/606760391.db2.gz TZJUXGZNBPKWGB-UHFFFAOYSA-N -1 1 387.356 0.309 20 0 GCADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2CCNC(=O)C2)c1-c1nn[n-]n1 ZINC000822486350 606761432 /nfs/dbraw/zinc/76/14/32/606761432.db2.gz HJISQXPDKQYTIA-GFCCVEGCSA-N -1 1 381.396 0.930 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC[C@@H]1CCCO1 ZINC000820788239 606764594 /nfs/dbraw/zinc/76/45/94/606764594.db2.gz BHMOKRVNMJIYTE-RYUDHWBXSA-N -1 1 389.489 0.221 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC[C@@H]1CCCO1 ZINC000820788239 606764595 /nfs/dbraw/zinc/76/45/95/606764595.db2.gz BHMOKRVNMJIYTE-RYUDHWBXSA-N -1 1 389.489 0.221 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)c1ccc(F)cc1 ZINC000820774994 606767185 /nfs/dbraw/zinc/76/71/85/606767185.db2.gz HMNSWUKOWKEELD-LLVKDONJSA-N -1 1 396.386 0.716 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)c1ccc(F)cc1 ZINC000820774994 606767186 /nfs/dbraw/zinc/76/71/86/606767186.db2.gz HMNSWUKOWKEELD-LLVKDONJSA-N -1 1 396.386 0.716 20 0 GCADMM CCNC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821285424 606768980 /nfs/dbraw/zinc/76/89/80/606768980.db2.gz JMLHKDXTZDGKBX-MRVPVSSYSA-N -1 1 392.445 0.223 20 0 GCADMM CCC[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000821034838 606769432 /nfs/dbraw/zinc/76/94/32/606769432.db2.gz VHZGOUNDXXEVGR-KGLIPLIRSA-N -1 1 385.476 0.773 20 0 GCADMM CCC[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000821034838 606769433 /nfs/dbraw/zinc/76/94/33/606769433.db2.gz VHZGOUNDXXEVGR-KGLIPLIRSA-N -1 1 385.476 0.773 20 0 GCADMM COc1ncncc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821919845 606773830 /nfs/dbraw/zinc/77/38/30/606773830.db2.gz HBTSJKYHFIWQDK-SNVBAGLBSA-N -1 1 397.403 0.198 20 0 GCADMM COc1ncncc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821919845 606773831 /nfs/dbraw/zinc/77/38/31/606773831.db2.gz HBTSJKYHFIWQDK-SNVBAGLBSA-N -1 1 397.403 0.198 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)Cc1ccco1 ZINC000820788288 606777549 /nfs/dbraw/zinc/77/75/49/606777549.db2.gz CECRNAQEQIJURL-ZDUSSCGKSA-N -1 1 397.443 0.419 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)Cc1ccco1 ZINC000820788288 606777550 /nfs/dbraw/zinc/77/75/50/606777550.db2.gz CECRNAQEQIJURL-ZDUSSCGKSA-N -1 1 397.443 0.419 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)OCc1ccccc1 ZINC000820788902 606779734 /nfs/dbraw/zinc/77/97/34/606779734.db2.gz QZDJRUYMLIOGMP-CQSZACIVSA-N -1 1 394.439 0.911 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)OCc1ccccc1 ZINC000820788902 606779735 /nfs/dbraw/zinc/77/97/35/606779735.db2.gz QZDJRUYMLIOGMP-CQSZACIVSA-N -1 1 394.439 0.911 20 0 GCADMM CCOc1nnc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000821442420 606781545 /nfs/dbraw/zinc/78/15/45/606781545.db2.gz RWQZYNSDWXLCQX-SNVBAGLBSA-N -1 1 388.461 0.618 20 0 GCADMM CCOc1nnc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000821442420 606781546 /nfs/dbraw/zinc/78/15/46/606781546.db2.gz RWQZYNSDWXLCQX-SNVBAGLBSA-N -1 1 388.461 0.618 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccccc1F ZINC000820788659 606782378 /nfs/dbraw/zinc/78/23/78/606782378.db2.gz LQEGNIXTKBCSPO-GFCCVEGCSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccccc1F ZINC000820788659 606782380 /nfs/dbraw/zinc/78/23/80/606782380.db2.gz LQEGNIXTKBCSPO-GFCCVEGCSA-N -1 1 397.418 0.945 20 0 GCADMM CC[C@@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820979756 606782913 /nfs/dbraw/zinc/78/29/13/606782913.db2.gz JQIFFXRHBGVXSB-HUUCEWRRSA-N -1 1 399.503 0.958 20 0 GCADMM CC[C@@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820979756 606782915 /nfs/dbraw/zinc/78/29/15/606782915.db2.gz JQIFFXRHBGVXSB-HUUCEWRRSA-N -1 1 399.503 0.958 20 0 GCADMM CC[C@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820979754 606783414 /nfs/dbraw/zinc/78/34/14/606783414.db2.gz JQIFFXRHBGVXSB-GJZGRUSLSA-N -1 1 399.503 0.958 20 0 GCADMM CC[C@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820979754 606783416 /nfs/dbraw/zinc/78/34/16/606783416.db2.gz JQIFFXRHBGVXSB-GJZGRUSLSA-N -1 1 399.503 0.958 20 0 GCADMM CC(C)c1nnc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1C ZINC000820206662 606784336 /nfs/dbraw/zinc/78/43/36/606784336.db2.gz UQZFSGMXLGUANH-LBPRGKRZSA-N -1 1 383.464 0.619 20 0 GCADMM CC(C)c1nnc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1C ZINC000820206662 606784337 /nfs/dbraw/zinc/78/43/37/606784337.db2.gz UQZFSGMXLGUANH-LBPRGKRZSA-N -1 1 383.464 0.619 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccco1 ZINC000820788479 606785092 /nfs/dbraw/zinc/78/50/92/606785092.db2.gz HXYDYBFIRQEASU-GFCCVEGCSA-N -1 1 383.416 0.713 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccco1 ZINC000820788479 606785093 /nfs/dbraw/zinc/78/50/93/606785093.db2.gz HXYDYBFIRQEASU-GFCCVEGCSA-N -1 1 383.416 0.713 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000822199602 606791446 /nfs/dbraw/zinc/79/14/46/606791446.db2.gz AHIFOMAGLVZNIO-JTQLQIEISA-N -1 1 384.404 0.373 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000822199602 606791447 /nfs/dbraw/zinc/79/14/47/606791447.db2.gz AHIFOMAGLVZNIO-JTQLQIEISA-N -1 1 384.404 0.373 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@]1(C)CCOC1 ZINC000820788281 606792348 /nfs/dbraw/zinc/79/23/48/606792348.db2.gz CBEJPUUNMPPDAU-SJKOYZFVSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@]1(C)CCOC1 ZINC000820788281 606792351 /nfs/dbraw/zinc/79/23/51/606792351.db2.gz CBEJPUUNMPPDAU-SJKOYZFVSA-N -1 1 387.448 0.303 20 0 GCADMM COC[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000821682414 606794618 /nfs/dbraw/zinc/79/46/18/606794618.db2.gz DXRAFZCLZDJQJV-OLZOCXBDSA-N -1 1 389.464 0.548 20 0 GCADMM COC[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000821682414 606794620 /nfs/dbraw/zinc/79/46/20/606794620.db2.gz DXRAFZCLZDJQJV-OLZOCXBDSA-N -1 1 389.464 0.548 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCn1cccc1 ZINC000820788930 606795499 /nfs/dbraw/zinc/79/54/99/606795499.db2.gz RLLSUMXGSFUWGG-ZDUSSCGKSA-N -1 1 382.432 0.379 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCn1cccc1 ZINC000820788930 606795500 /nfs/dbraw/zinc/79/55/00/606795500.db2.gz RLLSUMXGSFUWGG-ZDUSSCGKSA-N -1 1 382.432 0.379 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@]1(C)CCCO1 ZINC000820788767 606795624 /nfs/dbraw/zinc/79/56/24/606795624.db2.gz NQYBGMJICKIVRP-SJKOYZFVSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@]1(C)CCCO1 ZINC000820788767 606795625 /nfs/dbraw/zinc/79/56/25/606795625.db2.gz NQYBGMJICKIVRP-SJKOYZFVSA-N -1 1 387.448 0.446 20 0 GCADMM CNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccn1 ZINC000821635356 606809526 /nfs/dbraw/zinc/80/95/26/606809526.db2.gz YNNZKPQXYXTNKD-UHFFFAOYSA-N -1 1 391.388 0.586 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822486643 606818819 /nfs/dbraw/zinc/81/88/19/606818819.db2.gz RGMQXYJRSBPANV-LLVKDONJSA-N -1 1 396.459 0.287 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822486643 606818822 /nfs/dbraw/zinc/81/88/22/606818822.db2.gz RGMQXYJRSBPANV-LLVKDONJSA-N -1 1 396.459 0.287 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000820788920 606820026 /nfs/dbraw/zinc/82/00/26/606820026.db2.gz RJHRUEDCBMWWHV-LBPRGKRZSA-N -1 1 396.459 0.959 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000820788920 606820027 /nfs/dbraw/zinc/82/00/27/606820027.db2.gz RJHRUEDCBMWWHV-LBPRGKRZSA-N -1 1 396.459 0.959 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)cn1C ZINC000820788331 606820066 /nfs/dbraw/zinc/82/00/66/606820066.db2.gz DNVSTPWGPPYSGK-JTQLQIEISA-N -1 1 387.835 1.000 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC000820788331 606820068 /nfs/dbraw/zinc/82/00/68/606820068.db2.gz DNVSTPWGPPYSGK-JTQLQIEISA-N -1 1 387.835 1.000 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COCC(F)(F)F ZINC000820776943 606820228 /nfs/dbraw/zinc/82/02/28/606820228.db2.gz NXMGRTMZQDCCQO-VIFPVBQESA-N -1 1 386.338 0.273 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COCC(F)(F)F ZINC000820776943 606820230 /nfs/dbraw/zinc/82/02/30/606820230.db2.gz NXMGRTMZQDCCQO-VIFPVBQESA-N -1 1 386.338 0.273 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)on1 ZINC000820789010 606820367 /nfs/dbraw/zinc/82/03/67/606820367.db2.gz TVWGPOOUCHECNX-SNVBAGLBSA-N -1 1 381.400 0.873 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC000820789010 606820368 /nfs/dbraw/zinc/82/03/68/606820368.db2.gz TVWGPOOUCHECNX-SNVBAGLBSA-N -1 1 381.400 0.873 20 0 GCADMM CCc1nc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000821504972 606820557 /nfs/dbraw/zinc/82/05/57/606820557.db2.gz MRMZFPRKPTYILF-NSHDSACASA-N -1 1 399.484 0.955 20 0 GCADMM CCc1nc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000821504972 606820558 /nfs/dbraw/zinc/82/05/58/606820558.db2.gz MRMZFPRKPTYILF-NSHDSACASA-N -1 1 399.484 0.955 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000821769241 606820593 /nfs/dbraw/zinc/82/05/93/606820593.db2.gz FRBYDIGIHDRXKU-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000821769241 606820594 /nfs/dbraw/zinc/82/05/94/606820594.db2.gz FRBYDIGIHDRXKU-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cccnc1 ZINC000820776427 606821368 /nfs/dbraw/zinc/82/13/68/606821368.db2.gz LZROMMWOOXZYGG-CYBMUJFWSA-N -1 1 379.428 0.722 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cccnc1 ZINC000820776427 606821370 /nfs/dbraw/zinc/82/13/70/606821370.db2.gz LZROMMWOOXZYGG-CYBMUJFWSA-N -1 1 379.428 0.722 20 0 GCADMM Cc1noc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822527717 606822334 /nfs/dbraw/zinc/82/23/34/606822334.db2.gz ARNIIHFBJDSSJG-SNVBAGLBSA-N -1 1 384.404 0.018 20 0 GCADMM Cc1noc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822527717 606822336 /nfs/dbraw/zinc/82/23/36/606822336.db2.gz ARNIIHFBJDSSJG-SNVBAGLBSA-N -1 1 384.404 0.018 20 0 GCADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(=O)[nH]1 ZINC000822226321 606822483 /nfs/dbraw/zinc/82/24/83/606822483.db2.gz MKJCCKLZCYUKSM-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(=O)[nH]1 ZINC000822226321 606822485 /nfs/dbraw/zinc/82/24/85/606822485.db2.gz MKJCCKLZCYUKSM-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM CCCNC(=O)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821114335 606822728 /nfs/dbraw/zinc/82/27/28/606822728.db2.gz OKABVAAZXYYKDX-GFCCVEGCSA-N -1 1 387.448 0.000 20 0 GCADMM CCCNC(=O)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821114335 606822730 /nfs/dbraw/zinc/82/27/30/606822730.db2.gz OKABVAAZXYYKDX-GFCCVEGCSA-N -1 1 387.448 0.000 20 0 GCADMM CCOCCO[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821384157 606823867 /nfs/dbraw/zinc/82/38/67/606823867.db2.gz RLDHWWAQQCWPAV-STQMWFEESA-N -1 1 390.448 0.135 20 0 GCADMM CCOCCO[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821384157 606823868 /nfs/dbraw/zinc/82/38/68/606823868.db2.gz RLDHWWAQQCWPAV-STQMWFEESA-N -1 1 390.448 0.135 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n(C)n1 ZINC000820187545 606824237 /nfs/dbraw/zinc/82/42/37/606824237.db2.gz GUGKRZOWEBKVGS-GFCCVEGCSA-N -1 1 396.459 0.865 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n(C)n1 ZINC000820187545 606824239 /nfs/dbraw/zinc/82/42/39/606824239.db2.gz GUGKRZOWEBKVGS-GFCCVEGCSA-N -1 1 396.459 0.865 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC000820788203 606824862 /nfs/dbraw/zinc/82/48/62/606824862.db2.gz AJJORYWYWGOMJX-JTQLQIEISA-N -1 1 380.416 0.219 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC000820788203 606824864 /nfs/dbraw/zinc/82/48/64/606824864.db2.gz AJJORYWYWGOMJX-JTQLQIEISA-N -1 1 380.416 0.219 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1noc2c1CCCC2 ZINC000820789207 606825438 /nfs/dbraw/zinc/82/54/38/606825438.db2.gz XWBHFXFFZJTJGG-LLVKDONJSA-N -1 1 395.427 0.874 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1noc2c1CCCC2 ZINC000820789207 606825440 /nfs/dbraw/zinc/82/54/40/606825440.db2.gz XWBHFXFFZJTJGG-LLVKDONJSA-N -1 1 395.427 0.874 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(N(C)C)nc1 ZINC000820789130 606825594 /nfs/dbraw/zinc/82/55/94/606825594.db2.gz VZZUTYDFQMPPSJ-LBPRGKRZSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(N(C)C)nc1 ZINC000820789130 606825597 /nfs/dbraw/zinc/82/55/97/606825597.db2.gz VZZUTYDFQMPPSJ-LBPRGKRZSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cncc(F)c1 ZINC000820774279 606829381 /nfs/dbraw/zinc/82/93/81/606829381.db2.gz AERPDRLQVJUEHB-QAVQXKDTSA-N -1 1 395.402 0.941 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cncc(F)c1 ZINC000820774279 606829382 /nfs/dbraw/zinc/82/93/82/606829382.db2.gz AERPDRLQVJUEHB-QAVQXKDTSA-N -1 1 395.402 0.941 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cncc(F)c1 ZINC000820774278 606829421 /nfs/dbraw/zinc/82/94/21/606829421.db2.gz AERPDRLQVJUEHB-JDGPPOGSSA-N -1 1 395.402 0.941 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cncc(F)c1 ZINC000820774278 606829422 /nfs/dbraw/zinc/82/94/22/606829422.db2.gz AERPDRLQVJUEHB-JDGPPOGSSA-N -1 1 395.402 0.941 20 0 GCADMM Cc1cc(C)n([C@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822197792 606830432 /nfs/dbraw/zinc/83/04/32/606830432.db2.gz PINSZOCPNLDALP-UONOGXRCSA-N -1 1 396.459 0.768 20 0 GCADMM Cc1cc(C)n([C@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822197792 606830434 /nfs/dbraw/zinc/83/04/34/606830434.db2.gz PINSZOCPNLDALP-UONOGXRCSA-N -1 1 396.459 0.768 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cnccn1 ZINC000820775503 606831125 /nfs/dbraw/zinc/83/11/25/606831125.db2.gz INNQUGFGCOOLAW-DLGQBQFBSA-N -1 1 378.400 0.197 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cnccn1 ZINC000820775503 606831127 /nfs/dbraw/zinc/83/11/27/606831127.db2.gz INNQUGFGCOOLAW-DLGQBQFBSA-N -1 1 378.400 0.197 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cnccn1 ZINC000820775508 606831770 /nfs/dbraw/zinc/83/17/70/606831770.db2.gz INNQUGFGCOOLAW-QAVQXKDTSA-N -1 1 378.400 0.197 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cnccn1 ZINC000820775508 606831771 /nfs/dbraw/zinc/83/17/71/606831771.db2.gz INNQUGFGCOOLAW-QAVQXKDTSA-N -1 1 378.400 0.197 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC(C)(C)CCO ZINC000822459576 606832299 /nfs/dbraw/zinc/83/22/99/606832299.db2.gz SUDWBEARRRIWKV-UHFFFAOYSA-N -1 1 386.460 0.984 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC(C)(C)CCO ZINC000822459576 606832301 /nfs/dbraw/zinc/83/23/01/606832301.db2.gz SUDWBEARRRIWKV-UHFFFAOYSA-N -1 1 386.460 0.984 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCCSC1 ZINC000820788557 606835645 /nfs/dbraw/zinc/83/56/45/606835645.db2.gz JPCGYJWMKPYITA-NEPJUHHUSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCCSC1 ZINC000820788557 606835647 /nfs/dbraw/zinc/83/56/47/606835647.db2.gz JPCGYJWMKPYITA-NEPJUHHUSA-N -1 1 389.489 0.772 20 0 GCADMM CCCNC(=O)CN(CCC)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821113648 606842243 /nfs/dbraw/zinc/84/22/43/606842243.db2.gz BCRHMQHWBHCYHZ-UHFFFAOYSA-N -1 1 384.437 0.933 20 0 GCADMM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000821654103 606844002 /nfs/dbraw/zinc/84/40/02/606844002.db2.gz UDLBSYHPJXJFPN-LBPRGKRZSA-N -1 1 395.416 0.970 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823601222 606847328 /nfs/dbraw/zinc/84/73/28/606847328.db2.gz WZRUEWILXKCNFT-KBPBESRZSA-N -1 1 383.405 0.574 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1cccs1 ZINC000820804192 606847873 /nfs/dbraw/zinc/84/78/73/606847873.db2.gz NUPJFEKSOVKUPP-JTQLQIEISA-N -1 1 392.470 0.618 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1cccs1 ZINC000820804192 606847875 /nfs/dbraw/zinc/84/78/75/606847875.db2.gz NUPJFEKSOVKUPP-JTQLQIEISA-N -1 1 392.470 0.618 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1ccccc1 ZINC000820804308 606848029 /nfs/dbraw/zinc/84/80/29/606848029.db2.gz QBDKFPYUAKUKQL-GFCCVEGCSA-N -1 1 386.441 0.556 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1ccccc1 ZINC000820804308 606848030 /nfs/dbraw/zinc/84/80/30/606848030.db2.gz QBDKFPYUAKUKQL-GFCCVEGCSA-N -1 1 386.441 0.556 20 0 GCADMM CCC(CC)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820893154 606848147 /nfs/dbraw/zinc/84/81/47/606848147.db2.gz LANIYZYFEPPGDH-LBPRGKRZSA-N -1 1 394.505 0.933 20 0 GCADMM CCC(CC)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820893154 606848149 /nfs/dbraw/zinc/84/81/49/606848149.db2.gz LANIYZYFEPPGDH-LBPRGKRZSA-N -1 1 394.505 0.933 20 0 GCADMM CCCCN(C)S(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821060365 606848718 /nfs/dbraw/zinc/84/87/18/606848718.db2.gz BXOMSESPTKCFMO-LBPRGKRZSA-N -1 1 395.493 0.144 20 0 GCADMM CCCCN(C)S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821060365 606848720 /nfs/dbraw/zinc/84/87/20/606848720.db2.gz BXOMSESPTKCFMO-LBPRGKRZSA-N -1 1 395.493 0.144 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1C1CC1 ZINC000820788438 606854855 /nfs/dbraw/zinc/85/48/55/606854855.db2.gz GZVFGZGXJOLUEF-NSHDSACASA-N -1 1 394.443 0.619 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1C1CC1 ZINC000820788438 606854856 /nfs/dbraw/zinc/85/48/56/606854856.db2.gz GZVFGZGXJOLUEF-NSHDSACASA-N -1 1 394.443 0.619 20 0 GCADMM CCOc1cccnc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821438016 606855507 /nfs/dbraw/zinc/85/55/07/606855507.db2.gz SBSMUTKPWHNATJ-GFCCVEGCSA-N -1 1 395.427 0.801 20 0 GCADMM CCOc1cccnc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821438016 606855508 /nfs/dbraw/zinc/85/55/08/606855508.db2.gz SBSMUTKPWHNATJ-GFCCVEGCSA-N -1 1 395.427 0.801 20 0 GCADMM CCc1noc(C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821553472 606855510 /nfs/dbraw/zinc/85/55/10/606855510.db2.gz JHWOVGVERFBJLZ-JTQLQIEISA-N -1 1 383.416 0.866 20 0 GCADMM CCc1noc(C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821553472 606855511 /nfs/dbraw/zinc/85/55/11/606855511.db2.gz JHWOVGVERFBJLZ-JTQLQIEISA-N -1 1 383.416 0.866 20 0 GCADMM CCc1c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cnn1C ZINC000821461129 606855900 /nfs/dbraw/zinc/85/59/00/606855900.db2.gz JYTQMTXLPUPXKA-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM CCc1c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cnn1C ZINC000821461129 606855902 /nfs/dbraw/zinc/85/59/02/606855902.db2.gz JYTQMTXLPUPXKA-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM CCc1ncncc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821517008 606855926 /nfs/dbraw/zinc/85/59/26/606855926.db2.gz FQQCHBTUSAZAID-NSHDSACASA-N -1 1 380.416 0.360 20 0 GCADMM CCc1ncncc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821517008 606855928 /nfs/dbraw/zinc/85/59/28/606855928.db2.gz FQQCHBTUSAZAID-NSHDSACASA-N -1 1 380.416 0.360 20 0 GCADMM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)CCN12 ZINC000823551343 606879148 /nfs/dbraw/zinc/87/91/48/606879148.db2.gz NKWLJPJTRJMTHC-SECBINFHSA-N -1 1 384.805 0.345 20 0 GCADMM NC(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000822890161 606885564 /nfs/dbraw/zinc/88/55/64/606885564.db2.gz NJXNJPPEPKZGOE-UHFFFAOYSA-N -1 1 394.363 0.722 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)OC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822542082 606935647 /nfs/dbraw/zinc/93/56/47/606935647.db2.gz URQMNFFKDKLBOJ-MWLCHTKSSA-N -1 1 375.389 0.540 20 0 GCADMM CCc1nnc(Oc2cccc(C(=O)NCC(N)=O)c2)c(-c2nnn[n-]2)c1CC ZINC000821548727 606935849 /nfs/dbraw/zinc/93/58/49/606935849.db2.gz VQHQRLYYJVCEQR-UHFFFAOYSA-N -1 1 396.411 0.789 20 0 GCADMM CCc1nnc(Oc2cccc(C(=O)NCC(N)=O)c2)c(-c2nn[n-]n2)c1CC ZINC000821548727 606935850 /nfs/dbraw/zinc/93/58/50/606935850.db2.gz VQHQRLYYJVCEQR-UHFFFAOYSA-N -1 1 396.411 0.789 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000822535297 606943689 /nfs/dbraw/zinc/94/36/89/606943689.db2.gz MTNGCAIONHUCDD-LLVKDONJSA-N -1 1 383.368 0.835 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000822535297 606943690 /nfs/dbraw/zinc/94/36/90/606943690.db2.gz MTNGCAIONHUCDD-LLVKDONJSA-N -1 1 383.368 0.835 20 0 GCADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)N[C@@H](C)CO ZINC000822211560 606965297 /nfs/dbraw/zinc/96/52/97/606965297.db2.gz DWNLUQNAIIVBOK-NSHDSACASA-N -1 1 397.395 0.798 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000822005190 606982525 /nfs/dbraw/zinc/98/25/25/606982525.db2.gz PEJYWNJQEZNRCL-UONOGXRCSA-N -1 1 399.455 0.786 20 0 GCADMM O=C(C[C@@H]1COC(=O)C1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823519886 606996444 /nfs/dbraw/zinc/99/64/44/606996444.db2.gz JNXNMXSZCVWGEH-JTQLQIEISA-N -1 1 387.400 0.334 20 0 GCADMM O=C1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CN1C1CCCCC1 ZINC000823520375 607008394 /nfs/dbraw/zinc/00/83/94/607008394.db2.gz LYUOWUUWGQKPBE-NSHDSACASA-N -1 1 391.457 0.474 20 0 GCADMM O=C1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CN1C1CCCCC1 ZINC000823520375 607008395 /nfs/dbraw/zinc/00/83/95/607008395.db2.gz LYUOWUUWGQKPBE-NSHDSACASA-N -1 1 391.457 0.474 20 0 GCADMM NC(=O)[C@@H]1CC(C(=O)Nc2ncc(-c3nnn[n-]3)s2)=NN1c1ccccc1 ZINC000822860030 607024067 /nfs/dbraw/zinc/02/40/67/607024067.db2.gz LXVTWTNRCGOKOU-JTQLQIEISA-N -1 1 383.397 0.382 20 0 GCADMM NC(=O)[C@@H]1CC(C(=O)Nc2ncc(-c3nn[n-]n3)s2)=NN1c1ccccc1 ZINC000822860030 607024069 /nfs/dbraw/zinc/02/40/69/607024069.db2.gz LXVTWTNRCGOKOU-JTQLQIEISA-N -1 1 383.397 0.382 20 0 GCADMM CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000821697930 607024103 /nfs/dbraw/zinc/02/41/03/607024103.db2.gz XNNGXFFHFZTYHQ-UHFFFAOYSA-N -1 1 395.426 0.757 20 0 GCADMM CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000821697930 607024105 /nfs/dbraw/zinc/02/41/05/607024105.db2.gz XNNGXFFHFZTYHQ-UHFFFAOYSA-N -1 1 395.426 0.757 20 0 GCADMM NC(=O)[C@H]1CC(C(=O)Nc2ncc(-c3nnn[n-]3)s2)=NN1c1ccccc1 ZINC000822860031 607024382 /nfs/dbraw/zinc/02/43/82/607024382.db2.gz LXVTWTNRCGOKOU-SNVBAGLBSA-N -1 1 383.397 0.382 20 0 GCADMM NC(=O)[C@H]1CC(C(=O)Nc2ncc(-c3nn[n-]n3)s2)=NN1c1ccccc1 ZINC000822860031 607024383 /nfs/dbraw/zinc/02/43/83/607024383.db2.gz LXVTWTNRCGOKOU-SNVBAGLBSA-N -1 1 383.397 0.382 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccccc1F)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822969603 607105638 /nfs/dbraw/zinc/10/56/38/607105638.db2.gz SWHADCWQAHTWIW-UHFFFAOYSA-N -1 1 397.417 0.769 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccccc1F)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822969603 607105639 /nfs/dbraw/zinc/10/56/39/607105639.db2.gz SWHADCWQAHTWIW-UHFFFAOYSA-N -1 1 397.417 0.769 20 0 GCADMM CS(=O)(=O)c1nc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c2ccccn21 ZINC000821941875 607105956 /nfs/dbraw/zinc/10/59/56/607105956.db2.gz KIPLZVHCAUGPPX-UHFFFAOYSA-N -1 1 390.410 0.627 20 0 GCADMM CS(=O)(=O)c1nc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c2ccccn21 ZINC000821941875 607105958 /nfs/dbraw/zinc/10/59/58/607105958.db2.gz KIPLZVHCAUGPPX-UHFFFAOYSA-N -1 1 390.410 0.627 20 0 GCADMM CCn1c2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2[nH]c(=O)c1=O ZINC000821563806 607108271 /nfs/dbraw/zinc/10/82/71/607108271.db2.gz GMPFDPVNAXYHFM-UHFFFAOYSA-N -1 1 384.381 0.599 20 0 GCADMM CCn1c2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2[nH]c(=O)c1=O ZINC000821563806 607108273 /nfs/dbraw/zinc/10/82/73/607108273.db2.gz GMPFDPVNAXYHFM-UHFFFAOYSA-N -1 1 384.381 0.599 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H]1CCCNC1=O ZINC000822458088 607111941 /nfs/dbraw/zinc/11/19/41/607111941.db2.gz CLUMKWBLXUQJFD-ZDUSSCGKSA-N -1 1 384.400 0.281 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H]1CCCNC1=O ZINC000822458088 607111943 /nfs/dbraw/zinc/11/19/43/607111943.db2.gz CLUMKWBLXUQJFD-ZDUSSCGKSA-N -1 1 384.400 0.281 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000820184275 607128347 /nfs/dbraw/zinc/12/83/47/607128347.db2.gz ZAFUOXPUOUCPFQ-LBPRGKRZSA-N -1 1 382.446 0.906 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000820184275 607128348 /nfs/dbraw/zinc/12/83/48/607128348.db2.gz ZAFUOXPUOUCPFQ-LBPRGKRZSA-N -1 1 382.446 0.906 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819933549 607146443 /nfs/dbraw/zinc/14/64/43/607146443.db2.gz VRIIMPPJCMHAIG-SECBINFHSA-N -1 1 378.393 0.312 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)COc2cccc3[nH]ccc32)c1=O ZINC000821565487 607150809 /nfs/dbraw/zinc/15/08/09/607150809.db2.gz VBRGQCNKUZAPLJ-NSHDSACASA-N -1 1 397.395 0.131 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000823131896 607157927 /nfs/dbraw/zinc/15/79/27/607157927.db2.gz POMZDSHDPVAEAG-UHFFFAOYSA-N -1 1 396.350 0.089 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](CCO)C1CC1 ZINC000822459837 607186085 /nfs/dbraw/zinc/18/60/85/607186085.db2.gz YINSKCTZDAWVLZ-HNNXBMFYSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](CCO)C1CC1 ZINC000822459837 607186086 /nfs/dbraw/zinc/18/60/86/607186086.db2.gz YINSKCTZDAWVLZ-HNNXBMFYSA-N -1 1 384.444 0.736 20 0 GCADMM COc1ccc(C)cc1CN1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821782196 607205811 /nfs/dbraw/zinc/20/58/11/607205811.db2.gz BDEMTKWNKYHGLR-UHFFFAOYSA-N -1 1 397.443 0.120 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNc1ccc(C(F)(F)F)cn1 ZINC000823132013 607207849 /nfs/dbraw/zinc/20/78/49/607207849.db2.gz VINLRINEPAKODJ-UHFFFAOYSA-N -1 1 382.310 0.100 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000823123259 607208439 /nfs/dbraw/zinc/20/84/39/607208439.db2.gz UVPNLLNXUWTHFP-UHFFFAOYSA-N -1 1 390.354 0.806 20 0 GCADMM C[C@@H]1CN(c2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC000820776899 607208847 /nfs/dbraw/zinc/20/88/47/607208847.db2.gz NOTMXRYTUIGJHI-VXGBXAGGSA-N -1 1 383.416 0.711 20 0 GCADMM COc1ccc(Br)c(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821769080 607208859 /nfs/dbraw/zinc/20/88/59/607208859.db2.gz CMCCVOMWDKQINR-UHFFFAOYSA-N -1 1 393.205 0.546 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000823136322 607209102 /nfs/dbraw/zinc/20/91/02/607209102.db2.gz VQHZNWIPNHHQJV-UHFFFAOYSA-N -1 1 381.400 0.723 20 0 GCADMM CCS(=O)(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1C ZINC000821442408 607209496 /nfs/dbraw/zinc/20/94/96/607209496.db2.gz ROUNFNXBJKKFEN-UHFFFAOYSA-N -1 1 391.417 0.167 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1OCCn1ccnc1 ZINC000823136014 607209713 /nfs/dbraw/zinc/20/97/13/607209713.db2.gz GBUJFJKXWLMPQE-UHFFFAOYSA-N -1 1 380.372 0.372 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000823132095 607209937 /nfs/dbraw/zinc/20/99/37/607209937.db2.gz ZPPZMIQGLVFNPW-UHFFFAOYSA-N -1 1 395.427 0.903 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(N2CCCC2=O)c1 ZINC000820333845 607210975 /nfs/dbraw/zinc/21/09/75/607210975.db2.gz HIPXIBGFKVQOGU-NSHDSACASA-N -1 1 381.400 0.462 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819939403 607211033 /nfs/dbraw/zinc/21/10/33/607211033.db2.gz ASFMRZGAMLYTKZ-NSHDSACASA-N -1 1 391.436 0.364 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(N2CCCC2=O)c1 ZINC000820333844 607211036 /nfs/dbraw/zinc/21/10/36/607211036.db2.gz HIPXIBGFKVQOGU-LLVKDONJSA-N -1 1 381.400 0.462 20 0 GCADMM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820814061 607211079 /nfs/dbraw/zinc/21/10/79/607211079.db2.gz QTMKCKZFKLZYIU-CYBMUJFWSA-N -1 1 393.455 0.900 20 0 GCADMM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821770388 607211198 /nfs/dbraw/zinc/21/11/98/607211198.db2.gz RQOQMTOAIJHEPN-UHFFFAOYSA-N -1 1 397.399 0.342 20 0 GCADMM CCCS(=O)(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821138905 607211387 /nfs/dbraw/zinc/21/13/87/607211387.db2.gz KFDHFTVTPLPBFO-UHFFFAOYSA-N -1 1 391.417 0.249 20 0 GCADMM CCOc1c(OC)cc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC000821390444 607212221 /nfs/dbraw/zinc/21/22/21/607212221.db2.gz XSLHLFGDSOHING-UHFFFAOYSA-N -1 1 388.388 0.191 20 0 GCADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821571956 607212261 /nfs/dbraw/zinc/21/22/61/607212261.db2.gz MKMURDQPBLONEG-LLVKDONJSA-N -1 1 391.436 0.316 20 0 GCADMM COc1ccccc1N1CC[C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821898962 607212626 /nfs/dbraw/zinc/21/26/26/607212626.db2.gz VBYJZWBOHZLNTG-GFCCVEGCSA-N -1 1 383.416 0.110 20 0 GCADMM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822242717 607212712 /nfs/dbraw/zinc/21/27/12/607212712.db2.gz VINUQZSUPVEUNL-GFCCVEGCSA-N -1 1 399.440 0.307 20 0 GCADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(Br)c1 ZINC000821831930 607213649 /nfs/dbraw/zinc/21/36/49/607213649.db2.gz SVWUUIBBLKJLCH-UHFFFAOYSA-N -1 1 379.178 0.868 20 0 GCADMM CN(C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1)C(=O)OC(C)(C)C ZINC000821596623 607214039 /nfs/dbraw/zinc/21/40/39/607214039.db2.gz PXKJXUWJNJKCBA-LLVKDONJSA-N -1 1 391.436 0.174 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819933395 607215078 /nfs/dbraw/zinc/21/50/78/607215078.db2.gz QBSHZQNOXQVCPB-LLVKDONJSA-N -1 1 391.436 0.222 20 0 GCADMM Cc1ccc(Cc2nnc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)s2)cc1 ZINC000822239754 607215186 /nfs/dbraw/zinc/21/51/86/607215186.db2.gz CKFSGGWNLGLRKO-UHFFFAOYSA-N -1 1 382.413 0.848 20 0 GCADMM CC(C)C[C@H](C)Oc1cc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccn1 ZINC000820057314 607215734 /nfs/dbraw/zinc/21/57/34/607215734.db2.gz YCLDYOXXBHEAHL-LBPRGKRZSA-N -1 1 385.432 0.983 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000823136034 607215791 /nfs/dbraw/zinc/21/57/91/607215791.db2.gz GVKWYEURJKYWIO-UHFFFAOYSA-N -1 1 397.380 0.949 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000823136217 607215858 /nfs/dbraw/zinc/21/58/58/607215858.db2.gz OUPQKFILJHLMRG-UHFFFAOYSA-N -1 1 386.376 0.678 20 0 GCADMM COc1cc(F)cc2sc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)nc21 ZINC000821720486 607216049 /nfs/dbraw/zinc/21/60/49/607216049.db2.gz SPZHEAQTULDXQJ-UHFFFAOYSA-N -1 1 375.349 0.854 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000823131345 607216239 /nfs/dbraw/zinc/21/62/39/607216239.db2.gz GFEKWEUBXOOZHF-UHFFFAOYSA-N -1 1 391.399 0.692 20 0 GCADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Br ZINC000821832016 607216710 /nfs/dbraw/zinc/21/67/10/607216710.db2.gz WGTRHXNJTHJYGP-UHFFFAOYSA-N -1 1 379.178 0.868 20 0 GCADMM CC(C)(C)OC(=O)CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000819927898 607218418 /nfs/dbraw/zinc/21/84/18/607218418.db2.gz ACABGWGOXZJTQM-UHFFFAOYSA-N -1 1 384.400 0.833 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000823136205 607218487 /nfs/dbraw/zinc/21/84/87/607218487.db2.gz OLZRVBFPWRRWKT-KGLIPLIRSA-N -1 1 384.400 0.779 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819939656 607219336 /nfs/dbraw/zinc/21/93/36/607219336.db2.gz HRCUJFUVAYGKNN-QWRGUYRKSA-N -1 1 391.436 0.268 20 0 GCADMM CC(C)(C)OC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000819945775 607219966 /nfs/dbraw/zinc/21/99/66/607219966.db2.gz DIZAKTXYCSONLJ-UHFFFAOYSA-N -1 1 384.400 0.730 20 0 GCADMM COc1ccccc1-c1noc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000821882808 607220286 /nfs/dbraw/zinc/22/02/86/607220286.db2.gz LGZOFCZWINGEMF-VIFPVBQESA-N -1 1 396.371 0.394 20 0 GCADMM COc1cccc(-c2noc([C@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC000821854702 607220402 /nfs/dbraw/zinc/22/04/02/607220402.db2.gz SARUZBUUYVTCDR-VIFPVBQESA-N -1 1 396.371 0.394 20 0 GCADMM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821653938 607220977 /nfs/dbraw/zinc/22/09/77/607220977.db2.gz PESOSPUEPSPTEW-CHWSQXEVSA-N -1 1 388.432 0.429 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000823176582 607221256 /nfs/dbraw/zinc/22/12/56/607221256.db2.gz VRRZKSOFSHKITK-AWEZNQCLSA-N -1 1 395.427 0.269 20 0 GCADMM C[C@H](Cc1ccccc1Br)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820300352 607223565 /nfs/dbraw/zinc/22/35/65/607223565.db2.gz QFQMLHDIFAZOER-SECBINFHSA-N -1 1 391.233 0.968 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000823123423 607224353 /nfs/dbraw/zinc/22/43/53/607224353.db2.gz YZDYNUXAXRDNJU-UHFFFAOYSA-N -1 1 382.428 0.792 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2CCO[C@H](CO)C2)c1-c1nn[n-]n1 ZINC000821988262 607234471 /nfs/dbraw/zinc/23/44/71/607234471.db2.gz DKOQWBREAZIBFT-JTQLQIEISA-N -1 1 376.442 0.694 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ncccc1F ZINC000824999584 607782207 /nfs/dbraw/zinc/78/22/07/607782207.db2.gz IFGKIWFELVXXMM-NSHDSACASA-N -1 1 398.406 0.611 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ncccc1F ZINC000824999584 607782208 /nfs/dbraw/zinc/78/22/08/607782208.db2.gz IFGKIWFELVXXMM-NSHDSACASA-N -1 1 398.406 0.611 20 0 GCADMM CSCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826228865 607784043 /nfs/dbraw/zinc/78/40/43/607784043.db2.gz DUSOVZTULDKCHV-JTQLQIEISA-N -1 1 379.519 0.405 20 0 GCADMM CSCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826228865 607784044 /nfs/dbraw/zinc/78/40/44/607784044.db2.gz DUSOVZTULDKCHV-JTQLQIEISA-N -1 1 379.519 0.405 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](C[C@@H]2CCOC2)c2ccccc2)n(C)c1=O ZINC000826355722 607811190 /nfs/dbraw/zinc/81/11/90/607811190.db2.gz KXERYPNEOCALKD-GXTWGEPZSA-N -1 1 397.439 0.844 20 0 GCADMM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825424535 607811782 /nfs/dbraw/zinc/81/17/82/607811782.db2.gz JSAGXJFFKXOPKQ-UHFFFAOYSA-N -1 1 377.423 0.061 20 0 GCADMM O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487063 607818971 /nfs/dbraw/zinc/81/89/71/607818971.db2.gz BYPQYJWUHSGXNF-DOMZBBRYSA-N -1 1 390.425 0.025 20 0 GCADMM O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487063 607818972 /nfs/dbraw/zinc/81/89/72/607818972.db2.gz BYPQYJWUHSGXNF-DOMZBBRYSA-N -1 1 390.425 0.025 20 0 GCADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000824426819 607819112 /nfs/dbraw/zinc/81/91/12/607819112.db2.gz JAZGCHNGOAUNEJ-SSDOTTSWSA-N -1 1 379.851 0.232 20 0 GCADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000824426819 607819113 /nfs/dbraw/zinc/81/91/13/607819113.db2.gz JAZGCHNGOAUNEJ-SSDOTTSWSA-N -1 1 379.851 0.232 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)[C@H]2C1 ZINC000826145537 607852702 /nfs/dbraw/zinc/85/27/02/607852702.db2.gz IKTJJHDRZYMJKM-XBFCOCLRSA-N -1 1 397.432 0.963 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)[C@H]2C1 ZINC000826146257 607852910 /nfs/dbraw/zinc/85/29/10/607852910.db2.gz SMDBGAKGKFYHML-WKPIXPDZSA-N -1 1 397.432 0.963 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NC[C@]2(O)CCOC2)c1-c1nn[n-]n1 ZINC000826231436 607862065 /nfs/dbraw/zinc/86/20/65/607862065.db2.gz LFUICBBFILRZEP-MRXNPFEDSA-N -1 1 376.442 0.742 20 0 GCADMM CCN(C(=O)COc1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000825371764 607865923 /nfs/dbraw/zinc/86/59/23/607865923.db2.gz KRUFLQQDNQDFSZ-SNVBAGLBSA-N -1 1 383.405 0.420 20 0 GCADMM CCN(C(=O)COc1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000825371764 607865924 /nfs/dbraw/zinc/86/59/24/607865924.db2.gz KRUFLQQDNQDFSZ-SNVBAGLBSA-N -1 1 383.405 0.420 20 0 GCADMM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826481762 607876446 /nfs/dbraw/zinc/87/64/46/607876446.db2.gz ICVFMFJQHJNEJN-ZDUSSCGKSA-N -1 1 379.336 0.231 20 0 GCADMM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826481762 607876447 /nfs/dbraw/zinc/87/64/47/607876447.db2.gz ICVFMFJQHJNEJN-ZDUSSCGKSA-N -1 1 379.336 0.231 20 0 GCADMM CC[C@@]1(c2ccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)NC(=O)NC1=O ZINC000825176387 607877125 /nfs/dbraw/zinc/87/71/25/607877125.db2.gz RPAQXRCYCGIDPR-SFHVURJKSA-N -1 1 393.363 0.926 20 0 GCADMM CC[C@@]1(c2ccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)NC(=O)NC1=O ZINC000825176387 607877126 /nfs/dbraw/zinc/87/71/26/607877126.db2.gz RPAQXRCYCGIDPR-SFHVURJKSA-N -1 1 393.363 0.926 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)co1 ZINC000826090439 607889435 /nfs/dbraw/zinc/88/94/35/607889435.db2.gz HTYNHHVQBWGBNS-UHFFFAOYSA-N -1 1 378.370 0.629 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3cccc(-c4nnn[n-]4)n3)cn2)C[C@H](C)O1 ZINC000824970365 607900701 /nfs/dbraw/zinc/90/07/01/607900701.db2.gz WQNJXNIDMCJKGA-TXEJJXNPSA-N -1 1 383.416 0.838 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3cccc(-c4nn[n-]n4)n3)cn2)C[C@H](C)O1 ZINC000824970365 607900702 /nfs/dbraw/zinc/90/07/02/607900702.db2.gz WQNJXNIDMCJKGA-TXEJJXNPSA-N -1 1 383.416 0.838 20 0 GCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(-n2ccnn2)cc1 ZINC000824649431 607904252 /nfs/dbraw/zinc/90/42/52/607904252.db2.gz LVTMWJBAONYJDO-SNVBAGLBSA-N -1 1 394.399 0.018 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826090202 607905433 /nfs/dbraw/zinc/90/54/33/607905433.db2.gz DETFNGKVYDUIRE-UHFFFAOYSA-N -1 1 392.397 0.177 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826424901 607917695 /nfs/dbraw/zinc/91/76/95/607917695.db2.gz HWBZKHMGWZSZNA-GFCCVEGCSA-N -1 1 378.400 0.499 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])co1 ZINC000825875305 607928780 /nfs/dbraw/zinc/92/87/80/607928780.db2.gz JHGVPCABJAQXDP-UHFFFAOYSA-N -1 1 378.370 0.668 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC(OCCO)CC1 ZINC000826494743 607938339 /nfs/dbraw/zinc/93/83/39/607938339.db2.gz NMPVATHSFRAQCI-UHFFFAOYSA-N -1 1 387.849 0.682 20 0 GCADMM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)n1ncc(-c3nn[n-]n3)c1N)C2=O ZINC000824875201 607960929 /nfs/dbraw/zinc/96/09/29/607960929.db2.gz JONFANLFMCGEJQ-PHSVNERMSA-N -1 1 387.404 0.032 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cncc(I)c2)n1 ZINC000826357340 607963542 /nfs/dbraw/zinc/96/35/42/607963542.db2.gz BEXMFVJXDRBXMT-UHFFFAOYSA-N -1 1 396.152 0.852 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cncc(I)c2)n1 ZINC000826357340 607963543 /nfs/dbraw/zinc/96/35/43/607963543.db2.gz BEXMFVJXDRBXMT-UHFFFAOYSA-N -1 1 396.152 0.852 20 0 GCADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489032 607971369 /nfs/dbraw/zinc/97/13/69/607971369.db2.gz GFXHKHTXGBYAPS-UKRRQHHQSA-N -1 1 375.385 0.942 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCN([C@H]2CCOC2)CC1 ZINC000826495396 608001202 /nfs/dbraw/zinc/00/12/02/608001202.db2.gz OEVVDZCLEOZNFM-NSHDSACASA-N -1 1 398.876 0.615 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCN([C@H]2CCOC2)CC1 ZINC000826495396 608001203 /nfs/dbraw/zinc/00/12/03/608001203.db2.gz OEVVDZCLEOZNFM-NSHDSACASA-N -1 1 398.876 0.615 20 0 GCADMM CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825717963 608005534 /nfs/dbraw/zinc/00/55/34/608005534.db2.gz RZBATWBGLXCLHQ-UHFFFAOYSA-N -1 1 375.414 0.818 20 0 GCADMM CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825717963 608005535 /nfs/dbraw/zinc/00/55/35/608005535.db2.gz RZBATWBGLXCLHQ-UHFFFAOYSA-N -1 1 375.414 0.818 20 0 GCADMM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC000826272580 608006515 /nfs/dbraw/zinc/00/65/15/608006515.db2.gz QWXVMGWDHDRHLT-UHFFFAOYSA-N -1 1 375.414 0.873 20 0 GCADMM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC000826272580 608006516 /nfs/dbraw/zinc/00/65/16/608006516.db2.gz QWXVMGWDHDRHLT-UHFFFAOYSA-N -1 1 375.414 0.873 20 0 GCADMM COC[C@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(N)=O ZINC000826150734 608009497 /nfs/dbraw/zinc/00/94/97/608009497.db2.gz KRSCASPPMHLLHG-JTQLQIEISA-N -1 1 377.430 0.091 20 0 GCADMM C[NH2+]CCCc1[nH]nc(NC(=O)c2c([O-])cc(F)cc2F)c1-c1nn[n-]n1 ZINC000826077137 608021160 /nfs/dbraw/zinc/02/11/60/608021160.db2.gz BEADKRFSWOBZHG-UHFFFAOYSA-N -1 1 378.343 0.978 20 0 GCADMM Cc1cncc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000826319156 608024405 /nfs/dbraw/zinc/02/44/05/608024405.db2.gz QDXZQQWYACEXOY-ZDUSSCGKSA-N -1 1 394.443 0.780 20 0 GCADMM Cc1cncc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000826319156 608024406 /nfs/dbraw/zinc/02/44/06/608024406.db2.gz QDXZQQWYACEXOY-ZDUSSCGKSA-N -1 1 394.443 0.780 20 0 GCADMM C[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)no1 ZINC000824420977 608037706 /nfs/dbraw/zinc/03/77/06/608037706.db2.gz RHCSQDFYWMMVFM-JTQLQIEISA-N -1 1 380.372 0.428 20 0 GCADMM C[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)no1 ZINC000824420978 608037744 /nfs/dbraw/zinc/03/77/44/608037744.db2.gz RHCSQDFYWMMVFM-SNVBAGLBSA-N -1 1 380.372 0.428 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(c3ccc(F)cc3F)CC2)n(C)c1=O ZINC000826355753 608053090 /nfs/dbraw/zinc/05/30/90/608053090.db2.gz MAVUJAINFOSIEC-UHFFFAOYSA-N -1 1 389.366 0.686 20 0 GCADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826104506 608057377 /nfs/dbraw/zinc/05/73/77/608057377.db2.gz XZMZGAATSFPYRE-JTQLQIEISA-N -1 1 375.357 0.483 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000826356744 608073308 /nfs/dbraw/zinc/07/33/08/608073308.db2.gz DFZZYFDRJXNYPB-CQSZACIVSA-N -1 1 395.427 0.913 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 ZINC000826356744 608073309 /nfs/dbraw/zinc/07/33/09/608073309.db2.gz DFZZYFDRJXNYPB-CQSZACIVSA-N -1 1 395.427 0.913 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCCCC2CCCCC2)c1=O ZINC000826356419 608095984 /nfs/dbraw/zinc/09/59/84/608095984.db2.gz PRNLCJZWZVEOHH-UHFFFAOYSA-N -1 1 375.433 0.204 20 0 GCADMM Cc1cccc(Cl)c1NC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826298565 608095993 /nfs/dbraw/zinc/09/59/93/608095993.db2.gz YYDSZBATNGFHTK-UHFFFAOYSA-N -1 1 375.776 0.328 20 0 GCADMM COc1ccc(C[C@@H](C)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC000826191583 608103374 /nfs/dbraw/zinc/10/33/74/608103374.db2.gz KAABUUZZPDJNNQ-LLVKDONJSA-N -1 1 386.416 0.470 20 0 GCADMM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CN1 ZINC000826479003 608111875 /nfs/dbraw/zinc/11/18/75/608111875.db2.gz NYDHKPCCZBXKHU-GXFFZTMASA-N -1 1 394.432 0.685 20 0 GCADMM O=C1OCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)CCN12 ZINC000826483335 608111996 /nfs/dbraw/zinc/11/19/96/608111996.db2.gz JYHYWIBXXVHTKO-VIFPVBQESA-N -1 1 398.832 0.735 20 0 GCADMM O=C1OCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)CCN12 ZINC000826483335 608111997 /nfs/dbraw/zinc/11/19/97/608111997.db2.gz JYHYWIBXXVHTKO-VIFPVBQESA-N -1 1 398.832 0.735 20 0 GCADMM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824464110 608114436 /nfs/dbraw/zinc/11/44/36/608114436.db2.gz DPPYSVICGHSPCC-LLVKDONJSA-N -1 1 376.380 0.790 20 0 GCADMM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824464110 608114437 /nfs/dbraw/zinc/11/44/37/608114437.db2.gz DPPYSVICGHSPCC-LLVKDONJSA-N -1 1 376.380 0.790 20 0 GCADMM C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824450734 608124744 /nfs/dbraw/zinc/12/47/44/608124744.db2.gz ZBAMMEFUJDEIKO-CTGLIMNLSA-N -1 1 397.404 0.931 20 0 GCADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1-c1nc(C)cc(C)n1 ZINC000826265888 608158637 /nfs/dbraw/zinc/15/86/37/608158637.db2.gz RQEDXJHARAPFJL-UHFFFAOYSA-N -1 1 379.388 0.753 20 0 GCADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1-c1nc(C)cc(C)n1 ZINC000826265888 608158638 /nfs/dbraw/zinc/15/86/38/608158638.db2.gz RQEDXJHARAPFJL-UHFFFAOYSA-N -1 1 379.388 0.753 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489410 608159418 /nfs/dbraw/zinc/15/94/18/608159418.db2.gz OUDPJPSCHLFJIV-BONVTDFDSA-N -1 1 383.405 0.622 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489410 608159419 /nfs/dbraw/zinc/15/94/19/608159419.db2.gz OUDPJPSCHLFJIV-BONVTDFDSA-N -1 1 383.405 0.622 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825759281 608163346 /nfs/dbraw/zinc/16/33/46/608163346.db2.gz BFMYDANWMFNWEE-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825759281 608163348 /nfs/dbraw/zinc/16/33/48/608163348.db2.gz BFMYDANWMFNWEE-NSHDSACASA-N -1 1 382.432 0.304 20 0 GCADMM CCOC[C@@H](C(=O)OC)N(C)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825583501 608166558 /nfs/dbraw/zinc/16/65/58/608166558.db2.gz UXYQYKMTLFQSJT-NSHDSACASA-N -1 1 380.405 0.525 20 0 GCADMM CS(=O)(=O)NC[C@@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826223253 608175696 /nfs/dbraw/zinc/17/56/96/608175696.db2.gz GQVXPQPSTWSPLQ-ZETCQYMHSA-N -1 1 377.883 0.885 20 0 GCADMM CS(=O)(=O)NC[C@@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826223253 608175698 /nfs/dbraw/zinc/17/56/98/608175698.db2.gz GQVXPQPSTWSPLQ-ZETCQYMHSA-N -1 1 377.883 0.885 20 0 GCADMM c1nnc2c(N3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)nccn12 ZINC000826524706 608176877 /nfs/dbraw/zinc/17/68/77/608176877.db2.gz GNSKASVLHSOVQF-UHFFFAOYSA-N -1 1 379.388 0.496 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](CO)CC(F)(F)F ZINC000826232962 608182317 /nfs/dbraw/zinc/18/23/17/608182317.db2.gz OHZGCFVMIRLMSN-SECBINFHSA-N -1 1 388.350 0.946 20 0 GCADMM O=C(Cn1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1)N1CCOCC1 ZINC000826424425 608186389 /nfs/dbraw/zinc/18/63/89/608186389.db2.gz LSDRQHYBGNGLQK-UHFFFAOYSA-N -1 1 395.836 0.776 20 0 GCADMM O=C(Cn1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1)N1CCOCC1 ZINC000826424425 608186390 /nfs/dbraw/zinc/18/63/90/608186390.db2.gz LSDRQHYBGNGLQK-UHFFFAOYSA-N -1 1 395.836 0.776 20 0 GCADMM CC[C@H](C)[C@@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825058888 608193705 /nfs/dbraw/zinc/19/37/05/608193705.db2.gz BBEUPBLSFJXAFF-GXFFZTMASA-N -1 1 375.433 0.788 20 0 GCADMM O=C(NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)c1ccccn1 ZINC000826435294 608195704 /nfs/dbraw/zinc/19/57/04/608195704.db2.gz LHJRHJIEFNLSBS-UHFFFAOYSA-N -1 1 392.423 0.939 20 0 GCADMM O=C(NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)c1ccccn1 ZINC000826435294 608195705 /nfs/dbraw/zinc/19/57/05/608195705.db2.gz LHJRHJIEFNLSBS-UHFFFAOYSA-N -1 1 392.423 0.939 20 0 GCADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824731599 608211060 /nfs/dbraw/zinc/21/10/60/608211060.db2.gz XLCFFFYHZWNRPP-MNOVXSKESA-N -1 1 378.437 0.147 20 0 GCADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824731599 608211061 /nfs/dbraw/zinc/21/10/61/608211061.db2.gz XLCFFFYHZWNRPP-MNOVXSKESA-N -1 1 378.437 0.147 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(-n2cccn2)n1 ZINC000825935098 608211345 /nfs/dbraw/zinc/21/13/45/608211345.db2.gz UOBSVPWNDRAEKU-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(-n2cccn2)n1 ZINC000825935098 608211347 /nfs/dbraw/zinc/21/13/47/608211347.db2.gz UOBSVPWNDRAEKU-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000825934199 608211481 /nfs/dbraw/zinc/21/14/81/608211481.db2.gz KTNWQTZXXYTYTN-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(-c2cccnc2)on1 ZINC000825929552 608212945 /nfs/dbraw/zinc/21/29/45/608212945.db2.gz HUKGTOZIABBULD-UHFFFAOYSA-N -1 1 394.399 0.927 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-c2cccnc2)on1 ZINC000825929552 608212946 /nfs/dbraw/zinc/21/29/46/608212946.db2.gz HUKGTOZIABBULD-UHFFFAOYSA-N -1 1 394.399 0.927 20 0 GCADMM CNC(=O)c1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826067079 608213236 /nfs/dbraw/zinc/21/32/36/608213236.db2.gz ADDVYJDVMPVCPL-UHFFFAOYSA-N -1 1 383.416 0.236 20 0 GCADMM CNC(=O)c1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826067079 608213238 /nfs/dbraw/zinc/21/32/38/608213238.db2.gz ADDVYJDVMPVCPL-UHFFFAOYSA-N -1 1 383.416 0.236 20 0 GCADMM O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)[C@@]1(O)CCSC1 ZINC000826426669 608231327 /nfs/dbraw/zinc/23/13/27/608231327.db2.gz SWKDCVLFVGQSEY-MRXNPFEDSA-N -1 1 391.457 0.249 20 0 GCADMM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825247440 608239229 /nfs/dbraw/zinc/23/92/29/608239229.db2.gz DNOWZQSSZXJGDO-SNVBAGLBSA-N -1 1 384.849 0.809 20 0 GCADMM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825247440 608239230 /nfs/dbraw/zinc/23/92/30/608239230.db2.gz DNOWZQSSZXJGDO-SNVBAGLBSA-N -1 1 384.849 0.809 20 0 GCADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)[C@H](O)C(F)(F)F ZINC000825149454 608239298 /nfs/dbraw/zinc/23/92/98/608239298.db2.gz YOZWTAPWMSCIAF-SCZZXKLOSA-N -1 1 383.327 0.986 20 0 GCADMM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826060818 608240150 /nfs/dbraw/zinc/24/01/50/608240150.db2.gz UBRJGMVAOHMFJY-WPRPVWTQSA-N -1 1 384.849 0.713 20 0 GCADMM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826060818 608240151 /nfs/dbraw/zinc/24/01/51/608240151.db2.gz UBRJGMVAOHMFJY-WPRPVWTQSA-N -1 1 384.849 0.713 20 0 GCADMM O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)CCN12 ZINC000826480153 608242491 /nfs/dbraw/zinc/24/24/91/608242491.db2.gz SBFHOCSBHVRPKN-SNVBAGLBSA-N -1 1 382.833 0.515 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826233074 608251704 /nfs/dbraw/zinc/25/17/04/608251704.db2.gz SQOPBTIVCGDMKR-LBPRGKRZSA-N -1 1 385.428 0.350 20 0 GCADMM CS(=O)(=O)Nc1ccc(OCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826224192 608298336 /nfs/dbraw/zinc/29/83/36/608298336.db2.gz SWJLDHZLIANSAN-UHFFFAOYSA-N -1 1 376.402 0.519 20 0 GCADMM CS(=O)(=O)Nc1ccc(OCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826224192 608298338 /nfs/dbraw/zinc/29/83/38/608298338.db2.gz SWJLDHZLIANSAN-UHFFFAOYSA-N -1 1 376.402 0.519 20 0 GCADMM COC(=O)[C@@H]1CN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CCO1 ZINC000826134593 608311752 /nfs/dbraw/zinc/31/17/52/608311752.db2.gz YZRXFVVKZAEXFR-HNNXBMFYSA-N -1 1 383.412 0.735 20 0 GCADMM CC(=O)NC[C@@H]1CN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CCO1 ZINC000823994922 608313306 /nfs/dbraw/zinc/31/33/06/608313306.db2.gz SOHLBQJLVOTVGB-MRXNPFEDSA-N -1 1 396.455 0.698 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)[C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826332197 608322233 /nfs/dbraw/zinc/32/22/33/608322233.db2.gz MNSBRMAYJHERAU-AWEZNQCLSA-N -1 1 396.455 0.386 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCNc2ccccn2)n1 ZINC000824148103 608339956 /nfs/dbraw/zinc/33/99/56/608339956.db2.gz MPLATOXSUVSYAC-UHFFFAOYSA-N -1 1 398.431 0.380 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H](O)c2ccco2)n1 ZINC000824148387 608340069 /nfs/dbraw/zinc/34/00/69/608340069.db2.gz SSBSPZXSASECHG-JTQLQIEISA-N -1 1 388.388 0.200 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H](O)c2ccco2)n1 ZINC000824148387 608340070 /nfs/dbraw/zinc/34/00/70/608340070.db2.gz SSBSPZXSASECHG-JTQLQIEISA-N -1 1 388.388 0.200 20 0 GCADMM COc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cn1 ZINC000826195640 608340805 /nfs/dbraw/zinc/34/08/05/608340805.db2.gz AUUYYHXLLIBJBJ-UHFFFAOYSA-N -1 1 399.415 0.477 20 0 GCADMM COc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cn1 ZINC000826195640 608340806 /nfs/dbraw/zinc/34/08/06/608340806.db2.gz AUUYYHXLLIBJBJ-UHFFFAOYSA-N -1 1 399.415 0.477 20 0 GCADMM O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)[N-]Cc1noc(C2CC2)n1 ZINC000826486254 608343010 /nfs/dbraw/zinc/34/30/10/608343010.db2.gz VSGFHPKKNIZUFP-UHFFFAOYSA-N -1 1 379.377 0.886 20 0 GCADMM CCOC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000825582053 608350633 /nfs/dbraw/zinc/35/06/33/608350633.db2.gz GUVGWKKBGQUKHH-UHFFFAOYSA-N -1 1 390.448 0.784 20 0 GCADMM CCOC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000825582053 608350635 /nfs/dbraw/zinc/35/06/35/608350635.db2.gz GUVGWKKBGQUKHH-UHFFFAOYSA-N -1 1 390.448 0.784 20 0 GCADMM CC(C)C[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824236419 608350790 /nfs/dbraw/zinc/35/07/90/608350790.db2.gz NMLMSDBTUOGXFN-JTQLQIEISA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)C[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824236419 608350792 /nfs/dbraw/zinc/35/07/92/608350792.db2.gz NMLMSDBTUOGXFN-JTQLQIEISA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824236420 608350889 /nfs/dbraw/zinc/35/08/89/608350889.db2.gz NMLMSDBTUOGXFN-SNVBAGLBSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824236420 608350891 /nfs/dbraw/zinc/35/08/91/608350891.db2.gz NMLMSDBTUOGXFN-SNVBAGLBSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC2CCSCC2)n1 ZINC000824148363 608351051 /nfs/dbraw/zinc/35/10/51/608351051.db2.gz RPOWUFPKONGDHD-UHFFFAOYSA-N -1 1 378.462 0.769 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC2CCSCC2)n1 ZINC000824148363 608351053 /nfs/dbraw/zinc/35/10/53/608351053.db2.gz RPOWUFPKONGDHD-UHFFFAOYSA-N -1 1 378.462 0.769 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(O)CCCCC2)n1 ZINC000824148422 608352645 /nfs/dbraw/zinc/35/26/45/608352645.db2.gz UIWICOYMOXKFKZ-UHFFFAOYSA-N -1 1 390.448 0.568 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2(O)CCCCC2)n1 ZINC000824148422 608352647 /nfs/dbraw/zinc/35/26/47/608352647.db2.gz UIWICOYMOXKFKZ-UHFFFAOYSA-N -1 1 390.448 0.568 20 0 GCADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000825205922 608353241 /nfs/dbraw/zinc/35/32/41/608353241.db2.gz XWSSTRKVJGVSGT-MNOVXSKESA-N -1 1 390.448 0.783 20 0 GCADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000825205922 608353243 /nfs/dbraw/zinc/35/32/43/608353243.db2.gz XWSSTRKVJGVSGT-MNOVXSKESA-N -1 1 390.448 0.783 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCCC(C)(C)CO)n1 ZINC000824162835 608354138 /nfs/dbraw/zinc/35/41/38/608354138.db2.gz QHYYVQRDDHXCAA-UHFFFAOYSA-N -1 1 392.464 0.672 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCCC(C)(C)CO)n1 ZINC000824162835 608354140 /nfs/dbraw/zinc/35/41/40/608354140.db2.gz QHYYVQRDDHXCAA-UHFFFAOYSA-N -1 1 392.464 0.672 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H](CCO)C2CC2)n1 ZINC000824142438 608354289 /nfs/dbraw/zinc/35/42/89/608354289.db2.gz SRXMWRDMLLRNAQ-NSHDSACASA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H](CCO)C2CC2)n1 ZINC000824142438 608354290 /nfs/dbraw/zinc/35/42/90/608354290.db2.gz SRXMWRDMLLRNAQ-NSHDSACASA-N -1 1 376.421 0.034 20 0 GCADMM C[C@H]1CSCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825011999 608354667 /nfs/dbraw/zinc/35/46/67/608354667.db2.gz CDBGGOKLELNIOS-VIFPVBQESA-N -1 1 378.462 0.721 20 0 GCADMM C[C@H]1CSCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825011999 608354671 /nfs/dbraw/zinc/35/46/71/608354671.db2.gz CDBGGOKLELNIOS-VIFPVBQESA-N -1 1 378.462 0.721 20 0 GCADMM Cc1cnc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)s1 ZINC000826318559 608355490 /nfs/dbraw/zinc/35/54/90/608355490.db2.gz OVEGLVKMJVCHEY-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM Cc1cnc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)s1 ZINC000826318559 608355493 /nfs/dbraw/zinc/35/54/93/608355493.db2.gz OVEGLVKMJVCHEY-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)n1 ZINC000824141631 608355738 /nfs/dbraw/zinc/35/57/38/608355738.db2.gz LHZAAFAKWMLHCB-QGZVFWFLSA-N -1 1 388.432 0.396 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)n1 ZINC000824141631 608355740 /nfs/dbraw/zinc/35/57/40/608355740.db2.gz LHZAAFAKWMLHCB-QGZVFWFLSA-N -1 1 388.432 0.396 20 0 GCADMM C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824402410 608357633 /nfs/dbraw/zinc/35/76/33/608357633.db2.gz WKEFAYGLZLWPGX-GHMZBOCLSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824402410 608357635 /nfs/dbraw/zinc/35/76/35/608357635.db2.gz WKEFAYGLZLWPGX-GHMZBOCLSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824698730 608357639 /nfs/dbraw/zinc/35/76/39/608357639.db2.gz NSUQEMZHNIHUNU-WDEREUQCSA-N -1 1 390.448 0.519 20 0 GCADMM C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824698730 608357641 /nfs/dbraw/zinc/35/76/41/608357641.db2.gz NSUQEMZHNIHUNU-WDEREUQCSA-N -1 1 390.448 0.519 20 0 GCADMM C[C@H]1C[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824882846 608357709 /nfs/dbraw/zinc/35/77/09/608357709.db2.gz CVLQYMFWSRAYKY-WDEREUQCSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H]1C[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824882846 608357711 /nfs/dbraw/zinc/35/77/11/608357711.db2.gz CVLQYMFWSRAYKY-WDEREUQCSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H](CO)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824436197 608358025 /nfs/dbraw/zinc/35/80/25/608358025.db2.gz QFXXFLLDCAGQIZ-SNVBAGLBSA-N -1 1 378.437 0.282 20 0 GCADMM C[C@@H](CO)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824436197 608358027 /nfs/dbraw/zinc/35/80/27/608358027.db2.gz QFXXFLLDCAGQIZ-SNVBAGLBSA-N -1 1 378.437 0.282 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824882563 608358114 /nfs/dbraw/zinc/35/81/14/608358114.db2.gz BTMOQTALGYWWPK-ZJUUUORDSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824882563 608358116 /nfs/dbraw/zinc/35/81/16/608358116.db2.gz BTMOQTALGYWWPK-ZJUUUORDSA-N -1 1 376.421 0.440 20 0 GCADMM CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825134443 608358688 /nfs/dbraw/zinc/35/86/88/608358688.db2.gz UMAXSQMHDFGHJJ-VXGBXAGGSA-N -1 1 390.448 0.831 20 0 GCADMM CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825134443 608358689 /nfs/dbraw/zinc/35/86/89/608358689.db2.gz UMAXSQMHDFGHJJ-VXGBXAGGSA-N -1 1 390.448 0.831 20 0 GCADMM COC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CC1 ZINC000826149190 608359129 /nfs/dbraw/zinc/35/91/29/608359129.db2.gz BGYPTGOWNDNEOX-NSHDSACASA-N -1 1 376.421 0.298 20 0 GCADMM COC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CC1 ZINC000826149190 608359131 /nfs/dbraw/zinc/35/91/31/608359131.db2.gz BGYPTGOWNDNEOX-NSHDSACASA-N -1 1 376.421 0.298 20 0 GCADMM NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826389475 608394234 /nfs/dbraw/zinc/39/42/34/608394234.db2.gz ZFWHNKBHRQOLJY-OAHLLOKOSA-N -1 1 399.846 0.659 20 0 GCADMM NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826389475 608394236 /nfs/dbraw/zinc/39/42/36/608394236.db2.gz ZFWHNKBHRQOLJY-OAHLLOKOSA-N -1 1 399.846 0.659 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824109594 608402334 /nfs/dbraw/zinc/40/23/34/608402334.db2.gz SDZBJEXQNSJGDX-UHFFFAOYSA-N -1 1 389.420 0.148 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824109594 608402336 /nfs/dbraw/zinc/40/23/36/608402336.db2.gz SDZBJEXQNSJGDX-UHFFFAOYSA-N -1 1 389.420 0.148 20 0 GCADMM CCn1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1=O ZINC000825800005 608407814 /nfs/dbraw/zinc/40/78/14/608407814.db2.gz YNUHJJRJGPTRLC-UHFFFAOYSA-N -1 1 386.420 0.450 20 0 GCADMM CCn1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1=O ZINC000825800005 608407815 /nfs/dbraw/zinc/40/78/15/608407815.db2.gz YNUHJJRJGPTRLC-UHFFFAOYSA-N -1 1 386.420 0.450 20 0 GCADMM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC000824925694 608416900 /nfs/dbraw/zinc/41/69/00/608416900.db2.gz GBXQYRGSZKNOGM-UONOGXRCSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC000824925694 608416902 /nfs/dbraw/zinc/41/69/02/608416902.db2.gz GBXQYRGSZKNOGM-UONOGXRCSA-N -1 1 385.476 0.474 20 0 GCADMM CCO[C@H](C)c1noc(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC000825576510 608426730 /nfs/dbraw/zinc/42/67/30/608426730.db2.gz IQONZFBHRFHOQW-LLVKDONJSA-N -1 1 386.420 0.459 20 0 GCADMM CCO[C@H](C)c1noc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC000825576510 608426732 /nfs/dbraw/zinc/42/67/32/608426732.db2.gz IQONZFBHRFHOQW-LLVKDONJSA-N -1 1 386.420 0.459 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000825930303 608549347 /nfs/dbraw/zinc/54/93/47/608549347.db2.gz RSGVSORELUZSCD-UHFFFAOYSA-N -1 1 395.378 0.730 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000825930303 608549349 /nfs/dbraw/zinc/54/93/49/608549349.db2.gz RSGVSORELUZSCD-UHFFFAOYSA-N -1 1 395.378 0.730 20 0 GCADMM CSc1nsc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826231228 608549567 /nfs/dbraw/zinc/54/95/67/608549567.db2.gz CKTLBRDOLJDLCU-UHFFFAOYSA-N -1 1 395.478 0.842 20 0 GCADMM CSc1nsc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826231228 608549569 /nfs/dbraw/zinc/54/95/69/608549569.db2.gz CKTLBRDOLJDLCU-UHFFFAOYSA-N -1 1 395.478 0.842 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2c(c1)ncn2C ZINC000825933964 608555083 /nfs/dbraw/zinc/55/50/83/608555083.db2.gz KKEWCUWFTWERRW-UHFFFAOYSA-N -1 1 380.416 0.764 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2c(c1)ncn2C ZINC000825933964 608555084 /nfs/dbraw/zinc/55/50/84/608555084.db2.gz KKEWCUWFTWERRW-UHFFFAOYSA-N -1 1 380.416 0.764 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000825933876 608555172 /nfs/dbraw/zinc/55/51/72/608555172.db2.gz HRQYTYDZFCOSHW-UHFFFAOYSA-N -1 1 397.443 0.856 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000825933876 608555173 /nfs/dbraw/zinc/55/51/73/608555173.db2.gz HRQYTYDZFCOSHW-UHFFFAOYSA-N -1 1 397.443 0.856 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(C(N)=O)s1 ZINC000825933950 608555259 /nfs/dbraw/zinc/55/52/59/608555259.db2.gz JOKKWFHPGNDTMA-UHFFFAOYSA-N -1 1 375.418 0.037 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(C(N)=O)s1 ZINC000825933950 608555261 /nfs/dbraw/zinc/55/52/61/608555261.db2.gz JOKKWFHPGNDTMA-UHFFFAOYSA-N -1 1 375.418 0.037 20 0 GCADMM CCc1noc(CC)c1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825777601 608556014 /nfs/dbraw/zinc/55/60/14/608556014.db2.gz ZUIMLRJCBDWCOG-UHFFFAOYSA-N -1 1 387.448 0.919 20 0 GCADMM CCc1noc(CC)c1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825777601 608556016 /nfs/dbraw/zinc/55/60/16/608556016.db2.gz ZUIMLRJCBDWCOG-UHFFFAOYSA-N -1 1 387.448 0.919 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000825933295 608557712 /nfs/dbraw/zinc/55/77/12/608557712.db2.gz AXCMQDDROFDQAX-UHFFFAOYSA-N -1 1 383.416 0.466 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000825933295 608557714 /nfs/dbraw/zinc/55/77/14/608557714.db2.gz AXCMQDDROFDQAX-UHFFFAOYSA-N -1 1 383.416 0.466 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CN1CCCCCCC1=O ZINC000825929819 608557755 /nfs/dbraw/zinc/55/77/55/608557755.db2.gz KIZCIHXNQIALIA-UHFFFAOYSA-N -1 1 389.464 0.356 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CN1CCCCCCC1=O ZINC000825929819 608557756 /nfs/dbraw/zinc/55/77/56/608557756.db2.gz KIZCIHXNQIALIA-UHFFFAOYSA-N -1 1 389.464 0.356 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@H]1c2ccccc2NC1=O ZINC000825923115 608557825 /nfs/dbraw/zinc/55/78/25/608557825.db2.gz CKMLOEVJWYUJHR-NSHDSACASA-N -1 1 395.427 0.689 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@H]1c2ccccc2NC1=O ZINC000825923115 608557827 /nfs/dbraw/zinc/55/78/27/608557827.db2.gz CKMLOEVJWYUJHR-NSHDSACASA-N -1 1 395.427 0.689 20 0 GCADMM CCC(=O)N1CCC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825034394 608557905 /nfs/dbraw/zinc/55/79/05/608557905.db2.gz JMPINYHFGQSJOM-LLVKDONJSA-N -1 1 389.464 0.212 20 0 GCADMM CCC(=O)N1CCC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825034394 608557907 /nfs/dbraw/zinc/55/79/07/608557907.db2.gz JMPINYHFGQSJOM-LLVKDONJSA-N -1 1 389.464 0.212 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(-c2ncon2)cc1 ZINC000825933283 608558078 /nfs/dbraw/zinc/55/80/78/608558078.db2.gz ANDDMOHUQJLVOB-UHFFFAOYSA-N -1 1 394.399 0.927 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-c2ncon2)cc1 ZINC000825933283 608558080 /nfs/dbraw/zinc/55/80/80/608558080.db2.gz ANDDMOHUQJLVOB-UHFFFAOYSA-N -1 1 394.399 0.927 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CCCN1c1ncccn1 ZINC000825923597 608558106 /nfs/dbraw/zinc/55/81/06/608558106.db2.gz NUIZZTOWZUVAKY-GFCCVEGCSA-N -1 1 397.447 0.022 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CCCN1c1ncccn1 ZINC000825923597 608558108 /nfs/dbraw/zinc/55/81/08/608558108.db2.gz NUIZZTOWZUVAKY-GFCCVEGCSA-N -1 1 397.447 0.022 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000825923114 608558150 /nfs/dbraw/zinc/55/81/50/608558150.db2.gz CKMLOEVJWYUJHR-LLVKDONJSA-N -1 1 395.427 0.689 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000825923114 608558152 /nfs/dbraw/zinc/55/81/52/608558152.db2.gz CKMLOEVJWYUJHR-LLVKDONJSA-N -1 1 395.427 0.689 20 0 GCADMM CC(=O)Nc1ccc(O)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000823999876 608558663 /nfs/dbraw/zinc/55/86/63/608558663.db2.gz LECCXYGJQFATLA-UHFFFAOYSA-N -1 1 399.415 0.541 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCCOc1cccnc1 ZINC000825923538 608560331 /nfs/dbraw/zinc/56/03/31/608560331.db2.gz LHVHQLCMWJNXPJ-UHFFFAOYSA-N -1 1 385.432 0.817 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCCOc1cccnc1 ZINC000825923538 608560333 /nfs/dbraw/zinc/56/03/33/608560333.db2.gz LHVHQLCMWJNXPJ-UHFFFAOYSA-N -1 1 385.432 0.817 20 0 GCADMM COC(=O)CN(Cc1cc(OC)cc(OC)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826138071 608584412 /nfs/dbraw/zinc/58/44/12/608584412.db2.gz CVNRVGSMTLIDIL-UHFFFAOYSA-N -1 1 385.384 0.854 20 0 GCADMM COC(=O)CN(Cc1cc(OC)cc(OC)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826138071 608584413 /nfs/dbraw/zinc/58/44/13/608584413.db2.gz CVNRVGSMTLIDIL-UHFFFAOYSA-N -1 1 385.384 0.854 20 0 GCADMM CCOc1cccc([C@H]2C[C@@H]2Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000825649647 608588760 /nfs/dbraw/zinc/58/87/60/608588760.db2.gz UEZBKFPQTBCPON-OLZOCXBDSA-N -1 1 383.412 0.631 20 0 GCADMM CN(C)c1ncc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000825883696 608589318 /nfs/dbraw/zinc/58/93/18/608589318.db2.gz KSFNIHVBAQOLNS-UHFFFAOYSA-N -1 1 396.459 0.910 20 0 GCADMM Cc1nn(C)c2c1N(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CCO2 ZINC000826334181 608589734 /nfs/dbraw/zinc/58/97/34/608589734.db2.gz KYHPWBOGQSZJDE-UHFFFAOYSA-N -1 1 379.377 0.635 20 0 GCADMM Cc1nn(C)c2c1N(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CCO2 ZINC000826334181 608589736 /nfs/dbraw/zinc/58/97/36/608589736.db2.gz KYHPWBOGQSZJDE-UHFFFAOYSA-N -1 1 379.377 0.635 20 0 GCADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)NC[C@H](C)O ZINC000826272023 608618076 /nfs/dbraw/zinc/61/80/76/608618076.db2.gz RHICUIAPXUYTIK-NSHDSACASA-N -1 1 397.395 0.798 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@@H](O)COC(C)C ZINC000826233231 608630525 /nfs/dbraw/zinc/63/05/25/608630525.db2.gz YXGSBCQZWHVBSM-LBPRGKRZSA-N -1 1 379.417 0.846 20 0 GCADMM NS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826394582 608775350 /nfs/dbraw/zinc/77/53/50/608775350.db2.gz PIXPDHPTJYZCAW-UHFFFAOYSA-N -1 1 378.345 0.405 20 0 GCADMM NS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826394582 608775351 /nfs/dbraw/zinc/77/53/51/608775351.db2.gz PIXPDHPTJYZCAW-UHFFFAOYSA-N -1 1 378.345 0.405 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000824999800 608834734 /nfs/dbraw/zinc/83/47/34/608834734.db2.gz KCRACBBSDAGPDK-GFCCVEGCSA-N -1 1 396.459 0.397 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000824999800 608834740 /nfs/dbraw/zinc/83/47/40/608834740.db2.gz KCRACBBSDAGPDK-GFCCVEGCSA-N -1 1 396.459 0.397 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(N(C)C)nc1 ZINC000825000796 608839204 /nfs/dbraw/zinc/83/92/04/608839204.db2.gz VHUFZYOXGAWGRG-GFCCVEGCSA-N -1 1 381.448 0.223 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc(N(C)C)nc1 ZINC000825000796 608839205 /nfs/dbraw/zinc/83/92/05/608839205.db2.gz VHUFZYOXGAWGRG-GFCCVEGCSA-N -1 1 381.448 0.223 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(C(N)=O)cs1 ZINC000825001363 608839993 /nfs/dbraw/zinc/83/99/93/608839993.db2.gz ZVXLZBBBBPUQFV-SNVBAGLBSA-N -1 1 385.457 0.528 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(C(N)=O)cs1 ZINC000825001363 608839994 /nfs/dbraw/zinc/83/99/94/608839994.db2.gz ZVXLZBBBBPUQFV-SNVBAGLBSA-N -1 1 385.457 0.528 20 0 GCADMM NS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826394484 608892740 /nfs/dbraw/zinc/89/27/40/608892740.db2.gz LOSGQLNIOZZAND-UHFFFAOYSA-N -1 1 382.793 0.003 20 0 GCADMM NS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826394484 608892744 /nfs/dbraw/zinc/89/27/44/608892744.db2.gz LOSGQLNIOZZAND-UHFFFAOYSA-N -1 1 382.793 0.003 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000826425235 608893656 /nfs/dbraw/zinc/89/36/56/608893656.db2.gz VURVBGBDHYEGDV-ZDUSSCGKSA-N -1 1 385.409 0.407 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000826425235 608893657 /nfs/dbraw/zinc/89/36/57/608893657.db2.gz VURVBGBDHYEGDV-ZDUSSCGKSA-N -1 1 385.409 0.407 20 0 GCADMM Cn1cnn(-c2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2)c1=O ZINC000826365433 608894332 /nfs/dbraw/zinc/89/43/32/608894332.db2.gz ODPPTUSAYYHHJA-UHFFFAOYSA-N -1 1 398.408 0.552 20 0 GCADMM COCc1nc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)no1 ZINC000826165884 609139471 /nfs/dbraw/zinc/13/94/71/609139471.db2.gz MTBLYVPQMWZKNG-UHFFFAOYSA-N -1 1 387.404 0.584 20 0 GCADMM CCCCCN(CC(N)=O)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825272119 609173191 /nfs/dbraw/zinc/17/31/91/609173191.db2.gz VIBGTGQLMQRKID-UHFFFAOYSA-N -1 1 379.446 0.807 20 0 GCADMM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)(C)C1 ZINC000825845383 609181779 /nfs/dbraw/zinc/18/17/79/609181779.db2.gz GPMPCSYVMYVHGX-UHFFFAOYSA-N -1 1 394.461 0.028 20 0 GCADMM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)(C)C1 ZINC000825845383 609181781 /nfs/dbraw/zinc/18/17/81/609181781.db2.gz GPMPCSYVMYVHGX-UHFFFAOYSA-N -1 1 394.461 0.028 20 0 GCADMM CC1CCC2(CC1)OC[C@@H](CNS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)O2 ZINC000824915154 609181822 /nfs/dbraw/zinc/18/18/22/609181822.db2.gz BOKCXBGTLDMZKB-BWBHSNQOSA-N -1 1 394.457 0.862 20 0 GCADMM CC1CCC2(CC1)OC[C@@H](CNS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)O2 ZINC000824915154 609181823 /nfs/dbraw/zinc/18/18/23/609181823.db2.gz BOKCXBGTLDMZKB-BWBHSNQOSA-N -1 1 394.457 0.862 20 0 GCADMM CCOCCOC1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000825600022 609183386 /nfs/dbraw/zinc/18/33/86/609183386.db2.gz WVAAVTIRLIPCAF-UHFFFAOYSA-N -1 1 387.849 0.946 20 0 GCADMM CCOCCOC1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000825600022 609183387 /nfs/dbraw/zinc/18/33/87/609183387.db2.gz WVAAVTIRLIPCAF-UHFFFAOYSA-N -1 1 387.849 0.946 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2nccn21 ZINC000824999353 609235724 /nfs/dbraw/zinc/23/57/24/609235724.db2.gz FURXMQSUHFKPAY-LBPRGKRZSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2nccn21 ZINC000824999353 609235725 /nfs/dbraw/zinc/23/57/25/609235725.db2.gz FURXMQSUHFKPAY-LBPRGKRZSA-N -1 1 390.411 0.655 20 0 GCADMM Cc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)n1 ZINC000826329912 609235909 /nfs/dbraw/zinc/23/59/09/609235909.db2.gz XRUWLHJPEBWRTF-SNVBAGLBSA-N -1 1 380.416 0.414 20 0 GCADMM Cc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)n1 ZINC000826329912 609235911 /nfs/dbraw/zinc/23/59/11/609235911.db2.gz XRUWLHJPEBWRTF-SNVBAGLBSA-N -1 1 380.416 0.414 20 0 GCADMM CC[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)N1CCCC1=O ZINC000825040048 609236006 /nfs/dbraw/zinc/23/60/06/609236006.db2.gz YKHFGYCWXMITHJ-OLZOCXBDSA-N -1 1 399.459 0.095 20 0 GCADMM CC[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)N1CCCC1=O ZINC000825040048 609236008 /nfs/dbraw/zinc/23/60/08/609236008.db2.gz YKHFGYCWXMITHJ-OLZOCXBDSA-N -1 1 399.459 0.095 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)c1 ZINC000826394816 609263044 /nfs/dbraw/zinc/26/30/44/609263044.db2.gz ACYBSTSVDRSUSH-VMPITWQZSA-N -1 1 386.393 0.872 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCSCc1ccnc(Cl)c1 ZINC000826425468 609263538 /nfs/dbraw/zinc/26/35/38/609263538.db2.gz FRKJQBIXKBRGBH-UHFFFAOYSA-N -1 1 379.837 0.556 20 0 GCADMM Cn1c(=O)cc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n(C)c1=O ZINC000826355325 609279279 /nfs/dbraw/zinc/27/92/79/609279279.db2.gz UNVCSVOKPOCEOQ-UHFFFAOYSA-N -1 1 397.374 0.201 20 0 GCADMM CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000824338034 609282057 /nfs/dbraw/zinc/28/20/57/609282057.db2.gz NFIVLINAEMLWNM-UHFFFAOYSA-N -1 1 389.441 0.964 20 0 GCADMM CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000824338034 609282059 /nfs/dbraw/zinc/28/20/59/609282059.db2.gz NFIVLINAEMLWNM-UHFFFAOYSA-N -1 1 389.441 0.964 20 0 GCADMM CC(C)c1nnnn1CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824364622 609291900 /nfs/dbraw/zinc/29/19/00/609291900.db2.gz NMOVPGWULJQVLF-UHFFFAOYSA-N -1 1 397.378 0.940 20 0 GCADMM O=C(CCN1C(=O)CCC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826406611 609293176 /nfs/dbraw/zinc/29/31/76/609293176.db2.gz FCLVYGRCWHHOKL-UHFFFAOYSA-N -1 1 398.358 0.669 20 0 GCADMM COC(=O)C1(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCCC1 ZINC000826123728 609298544 /nfs/dbraw/zinc/29/85/44/609298544.db2.gz IKUNMLKTOINZFY-UHFFFAOYSA-N -1 1 378.414 0.905 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCOCC(F)(F)F ZINC000825930788 609298836 /nfs/dbraw/zinc/29/88/36/609298836.db2.gz ZLQBZJMZQHGZHA-UHFFFAOYSA-N -1 1 391.358 0.325 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCOCC(F)(F)F ZINC000825930788 609298838 /nfs/dbraw/zinc/29/88/38/609298838.db2.gz ZLQBZJMZQHGZHA-UHFFFAOYSA-N -1 1 391.358 0.325 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000825930076 609299025 /nfs/dbraw/zinc/29/90/25/609299025.db2.gz PLIBKCLXUFDYQO-SSDOTTSWSA-N -1 1 388.263 0.940 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000825930076 609299026 /nfs/dbraw/zinc/29/90/26/609299026.db2.gz PLIBKCLXUFDYQO-SSDOTTSWSA-N -1 1 388.263 0.940 20 0 GCADMM COc1cc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccn1 ZINC000826179553 609299281 /nfs/dbraw/zinc/29/92/81/609299281.db2.gz TXPWCAUXXQVBIB-UHFFFAOYSA-N -1 1 386.420 0.350 20 0 GCADMM COc1cc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccn1 ZINC000826179553 609299282 /nfs/dbraw/zinc/29/92/82/609299282.db2.gz TXPWCAUXXQVBIB-UHFFFAOYSA-N -1 1 386.420 0.350 20 0 GCADMM COc1ccccc1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826219995 609299695 /nfs/dbraw/zinc/29/96/95/609299695.db2.gz YKKAQFPINFCFIP-UHFFFAOYSA-N -1 1 399.459 0.997 20 0 GCADMM COc1ccccc1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826219995 609299697 /nfs/dbraw/zinc/29/96/97/609299697.db2.gz YKKAQFPINFCFIP-UHFFFAOYSA-N -1 1 399.459 0.997 20 0 GCADMM C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cn1cccn1 ZINC000824420451 609300448 /nfs/dbraw/zinc/30/04/48/609300448.db2.gz KJUUBXZIHRLARN-NSHDSACASA-N -1 1 387.452 0.279 20 0 GCADMM C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cn1cccn1 ZINC000824420451 609300449 /nfs/dbraw/zinc/30/04/49/609300449.db2.gz KJUUBXZIHRLARN-NSHDSACASA-N -1 1 387.452 0.279 20 0 GCADMM CO[C@@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1(C)C ZINC000826144972 609305322 /nfs/dbraw/zinc/30/53/22/609305322.db2.gz WUZMIHKJIHAZRP-WDEREUQCSA-N -1 1 377.453 0.560 20 0 GCADMM CO[C@@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1(C)C ZINC000826144972 609305323 /nfs/dbraw/zinc/30/53/23/609305323.db2.gz WUZMIHKJIHAZRP-WDEREUQCSA-N -1 1 377.453 0.560 20 0 GCADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825132588 609309349 /nfs/dbraw/zinc/30/93/49/609309349.db2.gz BETFWCMVRHOREK-CMPLNLGQSA-N -1 1 377.453 0.704 20 0 GCADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825132588 609309351 /nfs/dbraw/zinc/30/93/51/609309351.db2.gz BETFWCMVRHOREK-CMPLNLGQSA-N -1 1 377.453 0.704 20 0 GCADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1(C)C ZINC000826144879 609309736 /nfs/dbraw/zinc/30/97/36/609309736.db2.gz UUKDFUUOWVYJDT-OASPWFOLSA-N -1 1 391.480 0.806 20 0 GCADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1(C)C ZINC000826144879 609309738 /nfs/dbraw/zinc/30/97/38/609309738.db2.gz UUKDFUUOWVYJDT-OASPWFOLSA-N -1 1 391.480 0.806 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000825930388 609309970 /nfs/dbraw/zinc/30/99/70/609309970.db2.gz VKCBLYKJXFWRQR-WZRBSPASSA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000825930388 609309971 /nfs/dbraw/zinc/30/99/71/609309971.db2.gz VKCBLYKJXFWRQR-WZRBSPASSA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000825930730 609310047 /nfs/dbraw/zinc/31/00/47/609310047.db2.gz XNQNIIOMURQZLF-JTQLQIEISA-N -1 1 377.453 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000825930730 609310049 /nfs/dbraw/zinc/31/00/49/609310049.db2.gz XNQNIIOMURQZLF-JTQLQIEISA-N -1 1 377.453 0.704 20 0 GCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826145511 609310071 /nfs/dbraw/zinc/31/00/71/609310071.db2.gz HSQUBOXVLJUTJH-ZYHUDNBSSA-N -1 1 377.453 0.561 20 0 GCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826145511 609310073 /nfs/dbraw/zinc/31/00/73/609310073.db2.gz HSQUBOXVLJUTJH-ZYHUDNBSSA-N -1 1 377.453 0.561 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CSc3cccnn3)CC2)o1 ZINC000826323097 609310661 /nfs/dbraw/zinc/31/06/61/609310661.db2.gz PSKZWPLLTAHFAB-UHFFFAOYSA-N -1 1 387.429 0.394 20 0 GCADMM CCC[C@@H](NC(N)=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825348358 609312940 /nfs/dbraw/zinc/31/29/40/609312940.db2.gz HCUDIDDGHBPZLE-SNVBAGLBSA-N -1 1 387.379 0.967 20 0 GCADMM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000825841279 609318400 /nfs/dbraw/zinc/31/84/00/609318400.db2.gz USBJFSWIHDHZKM-UHFFFAOYSA-N -1 1 379.446 0.141 20 0 GCADMM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000825841279 609318402 /nfs/dbraw/zinc/31/84/02/609318402.db2.gz USBJFSWIHDHZKM-UHFFFAOYSA-N -1 1 379.446 0.141 20 0 GCADMM COC[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)OC ZINC000826149846 609318450 /nfs/dbraw/zinc/31/84/50/609318450.db2.gz QJDMLIDYCFHIFP-VIFPVBQESA-N -1 1 395.363 0.825 20 0 GCADMM C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H]1F ZINC000824949938 609351329 /nfs/dbraw/zinc/35/13/29/609351329.db2.gz ZFBQLIHJOLLIRJ-ONGXEEELSA-N -1 1 378.412 0.963 20 0 GCADMM C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824949938 609351332 /nfs/dbraw/zinc/35/13/32/609351332.db2.gz ZFBQLIHJOLLIRJ-ONGXEEELSA-N -1 1 378.412 0.963 20 0 GCADMM Cc1c[nH]cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1=O ZINC000826318853 609351774 /nfs/dbraw/zinc/35/17/74/609351774.db2.gz COCTUWUZVXDEOK-LLVKDONJSA-N -1 1 381.400 0.004 20 0 GCADMM Cc1c[nH]cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1=O ZINC000826318853 609351775 /nfs/dbraw/zinc/35/17/75/609351775.db2.gz COCTUWUZVXDEOK-LLVKDONJSA-N -1 1 381.400 0.004 20 0 GCADMM Cn1cc(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826362090 609354694 /nfs/dbraw/zinc/35/46/94/609354694.db2.gz CMGMRRYXANLMHL-UHFFFAOYSA-N -1 1 396.346 0.502 20 0 GCADMM CC[C@H]1C(=O)NCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825176134 609358178 /nfs/dbraw/zinc/35/81/78/609358178.db2.gz HKWUHLBFXQWSDZ-NSHDSACASA-N -1 1 399.390 0.934 20 0 GCADMM CC(CO)(CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824436256 609358467 /nfs/dbraw/zinc/35/84/67/609358467.db2.gz RHNAZKTUTMXBFB-UHFFFAOYSA-N -1 1 376.352 0.056 20 0 GCADMM CN1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1=O ZINC000826028627 609358644 /nfs/dbraw/zinc/35/86/44/609358644.db2.gz DNTNBKSFKIRJSX-SNVBAGLBSA-N -1 1 385.363 0.544 20 0 GCADMM O=C(NCCCn1cncn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826437554 609364127 /nfs/dbraw/zinc/36/41/27/609364127.db2.gz QEDWDNBFBCHTNM-UHFFFAOYSA-N -1 1 397.378 0.995 20 0 GCADMM O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826488717 609366972 /nfs/dbraw/zinc/36/69/72/609366972.db2.gz XBYATHOYKDLZJI-GFCCVEGCSA-N -1 1 378.462 0.488 20 0 GCADMM O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826488717 609366974 /nfs/dbraw/zinc/36/69/74/609366974.db2.gz XBYATHOYKDLZJI-GFCCVEGCSA-N -1 1 378.462 0.488 20 0 GCADMM O=C(NCc1ccon1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443206 609369517 /nfs/dbraw/zinc/36/95/17/609369517.db2.gz FZZRFXSBLPUKMB-UHFFFAOYSA-N -1 1 397.330 0.434 20 0 GCADMM O=C(NCC(F)F)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826433239 609369738 /nfs/dbraw/zinc/36/97/38/609369738.db2.gz YVXOZWWKYPRBBJ-UHFFFAOYSA-N -1 1 380.290 0.511 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000826425592 609399760 /nfs/dbraw/zinc/39/97/60/609399760.db2.gz KNESRLPHXPMMBE-SECBINFHSA-N -1 1 391.798 0.646 20 0 GCADMM CCN(Cc1cn(C)nn1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825439771 609400060 /nfs/dbraw/zinc/40/00/60/609400060.db2.gz NMRPYRHCQLOMEB-UHFFFAOYSA-N -1 1 382.837 0.859 20 0 GCADMM CCN(Cc1cn(C)nn1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825439771 609400061 /nfs/dbraw/zinc/40/00/61/609400061.db2.gz NMRPYRHCQLOMEB-UHFFFAOYSA-N -1 1 382.837 0.859 20 0 GCADMM Cc1ccc(F)cc1C(=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826289899 609416769 /nfs/dbraw/zinc/41/67/69/609416769.db2.gz QXOCIQPTIKFOKW-UHFFFAOYSA-N -1 1 386.391 0.893 20 0 GCADMM Cc1ccc(F)cc1C(=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826289899 609416770 /nfs/dbraw/zinc/41/67/70/609416770.db2.gz QXOCIQPTIKFOKW-UHFFFAOYSA-N -1 1 386.391 0.893 20 0 GCADMM CC[C@@](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)(C(N)=O)C(C)C ZINC000825133862 609433272 /nfs/dbraw/zinc/43/32/72/609433272.db2.gz QTSNZWHVUICVAX-HNNXBMFYSA-N -1 1 379.446 0.709 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc(OC(C)(C)C)nc2)n(C)c1=O ZINC000826355761 609434092 /nfs/dbraw/zinc/43/40/92/609434092.db2.gz MKUZRKFUOPVNCC-UHFFFAOYSA-N -1 1 386.416 0.449 20 0 GCADMM CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825494449 609469947 /nfs/dbraw/zinc/46/99/47/609469947.db2.gz WVVKJQFITIWFRP-LLVKDONJSA-N -1 1 394.432 0.959 20 0 GCADMM CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825494449 609469949 /nfs/dbraw/zinc/46/99/49/609469949.db2.gz WVVKJQFITIWFRP-LLVKDONJSA-N -1 1 394.432 0.959 20 0 GCADMM CCS(=O)(=O)c1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825669211 609472516 /nfs/dbraw/zinc/47/25/16/609472516.db2.gz SCQLMHQAVRATOA-UHFFFAOYSA-N -1 1 390.425 0.816 20 0 GCADMM CCS(=O)(=O)c1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825669211 609472518 /nfs/dbraw/zinc/47/25/18/609472518.db2.gz SCQLMHQAVRATOA-UHFFFAOYSA-N -1 1 390.425 0.816 20 0 GCADMM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826337312 609498155 /nfs/dbraw/zinc/49/81/55/609498155.db2.gz KALDDKHCVBVOHT-VIFPVBQESA-N -1 1 394.848 0.713 20 0 GCADMM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826337312 609498157 /nfs/dbraw/zinc/49/81/57/609498157.db2.gz 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AYSSJFHQOZDCMU-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)Cc1cscn1 ZINC001571261318 945424373 /nfs/dbraw/zinc/42/43/73/945424373.db2.gz CVKJSRSYBUOKCS-NSHDSACASA-N -1 1 385.457 0.687 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)Cc1cscn1 ZINC001571261318 945424379 /nfs/dbraw/zinc/42/43/79/945424379.db2.gz CVKJSRSYBUOKCS-NSHDSACASA-N -1 1 385.457 0.687 20 0 GCADMM CCc1ncsc1C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571261496 945426956 /nfs/dbraw/zinc/42/69/56/945426956.db2.gz GKNFMKSWRDLHFM-UHFFFAOYSA-N -1 1 385.457 0.814 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)CCc1cscn1 ZINC001571261567 945427193 /nfs/dbraw/zinc/42/71/93/945427193.db2.gz GOMGKDMZGVUSAO-PWSUYJOCSA-N -1 1 385.457 0.569 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cscn2)C1 ZINC001571261457 945427384 /nfs/dbraw/zinc/42/73/84/945427384.db2.gz FTGCBQNLPGYKON-QWRGUYRKSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccsn2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571261614 945428872 /nfs/dbraw/zinc/42/88/72/945428872.db2.gz HLFHURUGDSJTFD-MNOVXSKESA-N -1 1 385.457 0.745 20 0 GCADMM CCn1cnc(C(=O)N[C@@H]2[C@H]3CN(c4snc(C)c4-c4nn[n-]n4)C[C@H]32)c1 ZINC001571261617 945429203 /nfs/dbraw/zinc/42/92/03/945429203.db2.gz HMOZYAABIFZALM-IWIIMEHWSA-N -1 1 385.457 0.713 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571262064 945432904 /nfs/dbraw/zinc/43/29/04/945432904.db2.gz MWNAAZZFAIKSTI-QWRGUYRKSA-N -1 1 385.457 0.745 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)Cc3cscn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262039 945433419 /nfs/dbraw/zinc/43/34/19/945433419.db2.gz MVQZETACOGKSFK-JTQLQIEISA-N -1 1 385.457 0.931 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)Cc3cscn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262039 945433423 /nfs/dbraw/zinc/43/34/23/945433423.db2.gz MVQZETACOGKSFK-JTQLQIEISA-N -1 1 385.457 0.931 20 0 GCADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2cnn(C)c2)c1-c1nn[n-]n1 ZINC001571262883 945445378 /nfs/dbraw/zinc/44/53/78/945445378.db2.gz BBVXGDUHFGWWRA-YABSGUDNSA-N -1 1 385.457 0.159 20 0 GCADMM O=C(CCc1cscn1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263001 945448253 /nfs/dbraw/zinc/44/82/53/945448253.db2.gz FFDXHELDJSMXFY-NSHDSACASA-N -1 1 385.457 0.571 20 0 GCADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3ccnnc3C)C2)c1-c1nn[n-]n1 ZINC001571263492 945459578 /nfs/dbraw/zinc/45/95/78/945459578.db2.gz RJYXIVGUHJWEKC-PRHODGIISA-N -1 1 385.457 0.985 20 0 GCADMM Cc1nc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)s1 ZINC001571263527 945462227 /nfs/dbraw/zinc/46/22/27/945462227.db2.gz SLRPSVBMKUEBHI-LLVKDONJSA-N -1 1 385.457 0.407 20 0 GCADMM Cc1nc(CC(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001571263660 945463743 /nfs/dbraw/zinc/46/37/43/945463743.db2.gz WCOIACUSGFFDTA-GFCCVEGCSA-N -1 1 385.457 0.701 20 0 GCADMM Cc1nc(CC(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001571263660 945463751 /nfs/dbraw/zinc/46/37/51/945463751.db2.gz WCOIACUSGFFDTA-GFCCVEGCSA-N -1 1 385.457 0.701 20 0 GCADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3cnnc(C)c3)C2)c1-c1nn[n-]n1 ZINC001571263709 945465045 /nfs/dbraw/zinc/46/50/45/945465045.db2.gz XDSZKMHBVXEHDO-PRHODGIISA-N -1 1 385.457 0.985 20 0 GCADMM O=C(c1cc(Cl)c[nH]1)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571264906 945495752 /nfs/dbraw/zinc/49/57/52/945495752.db2.gz ADSBEVXWTFWLNL-TVQRCGJNSA-N -1 1 385.819 0.989 20 0 GCADMM O=C(c1cc(Cl)c[nH]1)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571264906 945495758 /nfs/dbraw/zinc/49/57/58/945495758.db2.gz ADSBEVXWTFWLNL-TVQRCGJNSA-N -1 1 385.819 0.989 20 0 GCADMM C[C@@]1([C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)NC(=O)NC1=O ZINC000820607319 945499111 /nfs/dbraw/zinc/49/91/11/945499111.db2.gz QFKGGOBSYUPBCJ-GLEZIHRCSA-N -1 1 375.414 0.379 20 0 GCADMM C[C@@]1([C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)NC(=O)NC1=O ZINC000820607319 945499117 /nfs/dbraw/zinc/49/91/17/945499117.db2.gz QFKGGOBSYUPBCJ-GLEZIHRCSA-N -1 1 375.414 0.379 20 0 GCADMM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)C1=O ZINC000820636245 945503910 /nfs/dbraw/zinc/50/39/10/945503910.db2.gz QSYUUQMMTUGOEY-INIZCTEOSA-N -1 1 398.408 0.729 20 0 GCADMM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)C1=O ZINC000820636245 945503917 /nfs/dbraw/zinc/50/39/17/945503917.db2.gz QSYUUQMMTUGOEY-INIZCTEOSA-N -1 1 398.408 0.729 20 0 GCADMM Cn1cc(Cl)cc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571265646 945515353 /nfs/dbraw/zinc/51/53/53/945515353.db2.gz NSKZPYONDGCSBF-MSRIBSCDSA-N -1 1 385.819 0.513 20 0 GCADMM Cn1cc(Cl)cc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571265646 945515357 /nfs/dbraw/zinc/51/53/57/945515357.db2.gz NSKZPYONDGCSBF-MSRIBSCDSA-N -1 1 385.819 0.513 20 0 GCADMM C[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(F)c1 ZINC000820726989 945539552 /nfs/dbraw/zinc/53/95/52/945539552.db2.gz DZTVTRWNFWZWJB-YGRLFVJLSA-N -1 1 385.403 0.991 20 0 GCADMM CNC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001571266382 945539682 /nfs/dbraw/zinc/53/96/82/945539682.db2.gz PNTHKAYADRFDHR-JTQLQIEISA-N -1 1 385.475 0.151 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1cc(F)ccc1NC1CC1 ZINC001571267044 945561877 /nfs/dbraw/zinc/56/18/77/945561877.db2.gz HQNFUPGQKQLSKS-UHFFFAOYSA-N -1 1 386.347 0.481 20 0 GCADMM O=C(Cc1ccc(F)cc1F)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571267453 945570728 /nfs/dbraw/zinc/57/07/28/945570728.db2.gz VQKYRUYUTPDJQC-UHFFFAOYSA-N -1 1 386.366 0.826 20 0 GCADMM O=C(Cc1ccc(F)cc1F)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571267453 945570735 /nfs/dbraw/zinc/57/07/35/945570735.db2.gz VQKYRUYUTPDJQC-UHFFFAOYSA-N -1 1 386.366 0.826 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571267590 945572719 /nfs/dbraw/zinc/57/27/19/945572719.db2.gz ZHNUTXFMKIGAKU-RNCFNFMXSA-N -1 1 386.366 0.929 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267623 945575169 /nfs/dbraw/zinc/57/51/69/945575169.db2.gz AMVWMKPYHZTWCN-FIQHERPVSA-N -1 1 386.416 0.305 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267623 945575175 /nfs/dbraw/zinc/57/51/75/945575175.db2.gz AMVWMKPYHZTWCN-FIQHERPVSA-N -1 1 386.416 0.305 20 0 GCADMM O=C(c1cnn(CCF)c1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571267729 945577043 /nfs/dbraw/zinc/57/70/43/945577043.db2.gz CVIGCQCIGIYSJY-UHFFFAOYSA-N -1 1 386.395 0.539 20 0 GCADMM O=C(c1cnn(CCF)c1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571267729 945577052 /nfs/dbraw/zinc/57/70/52/945577052.db2.gz CVIGCQCIGIYSJY-UHFFFAOYSA-N -1 1 386.395 0.539 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571267831 945578602 /nfs/dbraw/zinc/57/86/02/945578602.db2.gz GDTUOYYETFYDHU-ONGXEEELSA-N -1 1 386.395 0.294 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(CCF)c1 ZINC001571267808 945580134 /nfs/dbraw/zinc/58/01/34/945580134.db2.gz FKVVJOHTMOWNAK-GFCCVEGCSA-N -1 1 386.395 0.222 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(CCF)c1 ZINC001571267808 945580138 /nfs/dbraw/zinc/58/01/38/945580138.db2.gz FKVVJOHTMOWNAK-GFCCVEGCSA-N -1 1 386.395 0.222 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)c1n[nH]cc1F ZINC001571267951 945583947 /nfs/dbraw/zinc/58/39/47/945583947.db2.gz JTWVKDPSIFMSDD-SNVBAGLBSA-N -1 1 386.395 0.698 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCc3c(nc[nH]c3=O)C2)cc1-c1nn[n-]n1 ZINC001571268097 945588277 /nfs/dbraw/zinc/58/82/77/945588277.db2.gz NTGUHSFHSKYTGC-UHFFFAOYSA-N -1 1 386.397 0.383 20 0 GCADMM CN(C(=O)C1=COCCO1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571268098 945588528 /nfs/dbraw/zinc/58/85/28/945588528.db2.gz NWBOVMBWDBNIFS-UHFFFAOYSA-N -1 1 386.416 0.726 20 0 GCADMM CN(C(=O)C1=COCCO1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571268098 945588535 /nfs/dbraw/zinc/58/85/35/945588535.db2.gz NWBOVMBWDBNIFS-UHFFFAOYSA-N -1 1 386.416 0.726 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C3=COCCO3)CC[C@H]2C)n1 ZINC001571268538 945597652 /nfs/dbraw/zinc/59/76/52/945597652.db2.gz GXDFCVZGNNGPBY-NEPJUHHUSA-N -1 1 386.416 0.327 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C3=COCCO3)CC[C@H]2C)n1 ZINC001571268538 945597658 /nfs/dbraw/zinc/59/76/58/945597658.db2.gz GXDFCVZGNNGPBY-NEPJUHHUSA-N -1 1 386.416 0.327 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cnn(CCF)c1 ZINC001571268495 945598934 /nfs/dbraw/zinc/59/89/34/945598934.db2.gz UHAHAUVSBJBMKH-ZWNOBZJWSA-N -1 1 386.395 0.077 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cnn(CCF)c1 ZINC001571268495 945598938 /nfs/dbraw/zinc/59/89/38/945598938.db2.gz UHAHAUVSBJBMKH-ZWNOBZJWSA-N -1 1 386.395 0.077 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)n1 ZINC001571268648 945601945 /nfs/dbraw/zinc/60/19/45/945601945.db2.gz VXCGHQCMMROZDA-JTQLQIEISA-N -1 1 386.395 0.426 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)n1 ZINC001571268648 945601949 /nfs/dbraw/zinc/60/19/49/945601949.db2.gz VXCGHQCMMROZDA-JTQLQIEISA-N -1 1 386.395 0.426 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571268911 945607942 /nfs/dbraw/zinc/60/79/42/945607942.db2.gz ZDGIOJFFSUMPMS-ZJUUUORDSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571268911 945607949 /nfs/dbraw/zinc/60/79/49/945607949.db2.gz ZDGIOJFFSUMPMS-ZJUUUORDSA-N -1 1 386.395 0.729 20 0 GCADMM Cc1nn(C)cc1CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571269070 945611989 /nfs/dbraw/zinc/61/19/89/945611989.db2.gz NZTMSDBGNMMKBG-UHFFFAOYSA-N -1 1 386.420 0.040 20 0 GCADMM Cc1nn(C)cc1CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571269070 945611997 /nfs/dbraw/zinc/61/19/97/945611997.db2.gz NZTMSDBGNMMKBG-UHFFFAOYSA-N -1 1 386.420 0.040 20 0 GCADMM O=C(C1=COCCC1)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571269259 945616201 /nfs/dbraw/zinc/61/62/01/945616201.db2.gz TXWYJXHYOWUKNY-CYBMUJFWSA-N -1 1 386.416 0.380 20 0 GCADMM O=C(C1=COCCC1)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571269259 945616205 /nfs/dbraw/zinc/61/62/05/945616205.db2.gz TXWYJXHYOWUKNY-CYBMUJFWSA-N -1 1 386.416 0.380 20 0 GCADMM O=C(CC1OCCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571269413 945618674 /nfs/dbraw/zinc/61/86/74/945618674.db2.gz XSBSQKXJOWPAIC-WXHSDQCUSA-N -1 1 386.416 0.036 20 0 GCADMM O=C(CC1OCCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571269413 945618677 /nfs/dbraw/zinc/61/86/77/945618677.db2.gz XSBSQKXJOWPAIC-WXHSDQCUSA-N -1 1 386.416 0.036 20 0 GCADMM Cc1nnsc1C(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269680 945623250 /nfs/dbraw/zinc/62/32/50/945623250.db2.gz CATRJDVTYDXOCD-WPRPVWTQSA-N -1 1 386.445 0.604 20 0 GCADMM Cc1nnsc1C(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269680 945623253 /nfs/dbraw/zinc/62/32/53/945623253.db2.gz CATRJDVTYDXOCD-WPRPVWTQSA-N -1 1 386.445 0.604 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)c1cnns1 ZINC001571269685 945623610 /nfs/dbraw/zinc/62/36/10/945623610.db2.gz CFPIDKCFZJDCTO-JTQLQIEISA-N -1 1 386.445 0.687 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)c1cnns1 ZINC001571269685 945623615 /nfs/dbraw/zinc/62/36/15/945623615.db2.gz CFPIDKCFZJDCTO-JTQLQIEISA-N -1 1 386.445 0.687 20 0 GCADMM Cc1nnsc1C(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269678 945623749 /nfs/dbraw/zinc/62/37/49/945623749.db2.gz CATRJDVTYDXOCD-SCZZXKLOSA-N -1 1 386.445 0.604 20 0 GCADMM Cc1nnsc1C(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269678 945623756 /nfs/dbraw/zinc/62/37/56/945623756.db2.gz CATRJDVTYDXOCD-SCZZXKLOSA-N -1 1 386.445 0.604 20 0 GCADMM Cc1nnsc1C(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269696 945623917 /nfs/dbraw/zinc/62/39/17/945623917.db2.gz CJLKFCSUUCNCEC-NXEZZACHSA-N -1 1 386.445 0.827 20 0 GCADMM Cc1nnsc1C(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269696 945623924 /nfs/dbraw/zinc/62/39/24/945623924.db2.gz CJLKFCSUUCNCEC-NXEZZACHSA-N -1 1 386.445 0.827 20 0 GCADMM O=C(Cc1cccs1)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571269818 945624587 /nfs/dbraw/zinc/62/45/87/945624587.db2.gz DHKINIFHXOOXRW-LLVKDONJSA-N -1 1 386.441 0.600 20 0 GCADMM O=C(Cc1cccs1)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571269818 945624598 /nfs/dbraw/zinc/62/45/98/945624598.db2.gz DHKINIFHXOOXRW-LLVKDONJSA-N -1 1 386.441 0.600 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@@H](NC(=O)c3csnn3)C2)n1 ZINC001571269866 945624609 /nfs/dbraw/zinc/62/46/09/945624609.db2.gz FTBVWDYPZQVKIJ-NXEZZACHSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@@H](NC(=O)c3csnn3)C2)n1 ZINC001571269866 945624615 /nfs/dbraw/zinc/62/46/15/945624615.db2.gz FTBVWDYPZQVKIJ-NXEZZACHSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)c3csnn3)C2)n1 ZINC001571269824 945625763 /nfs/dbraw/zinc/62/57/63/945625763.db2.gz DLYJBPSVAKSWSR-JTQLQIEISA-N -1 1 386.445 0.558 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)c3csnn3)C2)n1 ZINC001571269824 945625773 /nfs/dbraw/zinc/62/57/73/945625773.db2.gz DLYJBPSVAKSWSR-JTQLQIEISA-N -1 1 386.445 0.558 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)c3csnn3)C2)n1 ZINC001571269825 945625886 /nfs/dbraw/zinc/62/58/86/945625886.db2.gz DLYJBPSVAKSWSR-SNVBAGLBSA-N -1 1 386.445 0.558 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)c3csnn3)C2)n1 ZINC001571269825 945625891 /nfs/dbraw/zinc/62/58/91/945625891.db2.gz DLYJBPSVAKSWSR-SNVBAGLBSA-N -1 1 386.445 0.558 20 0 GCADMM Cc1cscc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571269907 945627018 /nfs/dbraw/zinc/62/70/18/945627018.db2.gz HQERVNAAOBGXQP-AAEUAGOBSA-N -1 1 386.441 0.396 20 0 GCADMM Cc1cscc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571269907 945627024 /nfs/dbraw/zinc/62/70/24/945627024.db2.gz HQERVNAAOBGXQP-AAEUAGOBSA-N -1 1 386.441 0.396 20 0 GCADMM CC[C@@H]1CN(C(=O)c2csnn2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571269957 945628019 /nfs/dbraw/zinc/62/80/19/945628019.db2.gz IWWVOBRMGHLQFS-NXEZZACHSA-N -1 1 386.445 0.861 20 0 GCADMM CC[C@@H]1CN(C(=O)c2csnn2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571269957 945628022 /nfs/dbraw/zinc/62/80/22/945628022.db2.gz IWWVOBRMGHLQFS-NXEZZACHSA-N -1 1 386.445 0.861 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269922 945628083 /nfs/dbraw/zinc/62/80/83/945628083.db2.gz HUDUPWXLXJBCBF-SNVBAGLBSA-N -1 1 386.445 0.558 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269922 945628087 /nfs/dbraw/zinc/62/80/87/945628087.db2.gz HUDUPWXLXJBCBF-SNVBAGLBSA-N -1 1 386.445 0.558 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571269991 945629456 /nfs/dbraw/zinc/62/94/56/945629456.db2.gz JREHRDRBOYIVBX-PSASIEDQSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571269991 945629462 /nfs/dbraw/zinc/62/94/62/945629462.db2.gz JREHRDRBOYIVBX-PSASIEDQSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571269994 945629820 /nfs/dbraw/zinc/62/98/20/945629820.db2.gz JREHRDRBOYIVBX-WPRPVWTQSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571269994 945629825 /nfs/dbraw/zinc/62/98/25/945629825.db2.gz JREHRDRBOYIVBX-WPRPVWTQSA-N -1 1 386.445 0.786 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)c3cnsn3)C2)n1 ZINC001571270073 945630626 /nfs/dbraw/zinc/63/06/26/945630626.db2.gz MJFBUUCKTRYXRX-JTQLQIEISA-N -1 1 386.445 0.781 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)c3cnsn3)C2)n1 ZINC001571270073 945630634 /nfs/dbraw/zinc/63/06/34/945630634.db2.gz MJFBUUCKTRYXRX-JTQLQIEISA-N -1 1 386.445 0.781 20 0 GCADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)c3cccn(C)c3=O)C2)c1-c1nn[n-]n1 ZINC001571270209 945631676 /nfs/dbraw/zinc/63/16/76/945631676.db2.gz NLOCJJMXPLGNQT-AOOOYVTPSA-N -1 1 386.441 0.703 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H](NC(=O)c3cnns3)C2)n1 ZINC001571270292 945633812 /nfs/dbraw/zinc/63/38/12/945633812.db2.gz PICHKHIZKZOLJH-ZJUUUORDSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H](NC(=O)c3cnns3)C2)n1 ZINC001571270292 945633823 /nfs/dbraw/zinc/63/38/23/945633823.db2.gz PICHKHIZKZOLJH-ZJUUUORDSA-N -1 1 386.445 0.970 20 0 GCADMM O=C(NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)c1cccs1 ZINC001571270358 945635600 /nfs/dbraw/zinc/63/56/00/945635600.db2.gz RGBLRAMWXQAYGI-LLVKDONJSA-N -1 1 386.441 0.744 20 0 GCADMM CCc1nnsc1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270482 945636977 /nfs/dbraw/zinc/63/69/77/945636977.db2.gz UCQZVXNEMHVUFR-VIFPVBQESA-N -1 1 386.445 0.422 20 0 GCADMM Cc1nnsc1C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571270588 945638709 /nfs/dbraw/zinc/63/87/09/945638709.db2.gz WCHRNJZAWDUXDW-JTQLQIEISA-N -1 1 386.445 0.606 20 0 GCADMM Cc1nnsc1C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571270588 945638716 /nfs/dbraw/zinc/63/87/16/945638716.db2.gz WCHRNJZAWDUXDW-JTQLQIEISA-N -1 1 386.445 0.606 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571270622 945639488 /nfs/dbraw/zinc/63/94/88/945639488.db2.gz WXYHJQKJKCRJRT-JOYOIKCWSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571270622 945639495 /nfs/dbraw/zinc/63/94/95/945639495.db2.gz WXYHJQKJKCRJRT-JOYOIKCWSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](NC(=O)c1csnn1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571270682 945640212 /nfs/dbraw/zinc/64/02/12/945640212.db2.gz YRVJJEOGBZPWOQ-VIFPVBQESA-N -1 1 386.445 0.543 20 0 GCADMM C[C@H](NC(=O)c1csnn1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571270682 945640217 /nfs/dbraw/zinc/64/02/17/945640217.db2.gz YRVJJEOGBZPWOQ-VIFPVBQESA-N -1 1 386.445 0.543 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC3(CC2)CN(C(C)=O)C[C@@H](C)O3)n1 ZINC001571272247 945658598 /nfs/dbraw/zinc/65/85/98/945658598.db2.gz BRYRGUCEEKWJGI-GFCCVEGCSA-N -1 1 386.460 0.825 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC3(CC2)CN(C(C)=O)C[C@@H](C)O3)n1 ZINC001571272247 945658602 /nfs/dbraw/zinc/65/86/02/945658602.db2.gz BRYRGUCEEKWJGI-GFCCVEGCSA-N -1 1 386.460 0.825 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC001571272398 945661800 /nfs/dbraw/zinc/66/18/00/945661800.db2.gz CWOKDZADPUCFCS-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@H](C(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001571272457 945663398 /nfs/dbraw/zinc/66/33/98/945663398.db2.gz FFANDNZBADCULW-ZFWWWQNUSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H](C(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001571272457 945663402 /nfs/dbraw/zinc/66/34/02/945663402.db2.gz FFANDNZBADCULW-ZFWWWQNUSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001571272459 945663675 /nfs/dbraw/zinc/66/36/75/945663675.db2.gz FFNLFQRGLITVGR-UXIGCNINSA-N -1 1 386.460 0.543 20 0 GCADMM O=C(C[C@H]1CCOC1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571272686 945669368 /nfs/dbraw/zinc/66/93/68/945669368.db2.gz HQAJGODGQSUMHY-MGPQQGTHSA-N -1 1 386.460 0.592 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C[C@](C)(O)C3CC3)C2)n1 ZINC001571272808 945671805 /nfs/dbraw/zinc/67/18/05/945671805.db2.gz IQIPNXDPLQFTJQ-UGSOOPFHSA-N -1 1 386.460 0.919 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)C[C@](C)(O)C3CC3)C2)n1 ZINC001571272808 945671808 /nfs/dbraw/zinc/67/18/08/945671808.db2.gz IQIPNXDPLQFTJQ-UGSOOPFHSA-N -1 1 386.460 0.919 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)[C@@]3(C)CCCOC3)CC2)n1 ZINC001571272806 945672038 /nfs/dbraw/zinc/67/20/38/945672038.db2.gz IPWWCKCTMBAJJB-SFHVURJKSA-N -1 1 386.460 0.867 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)[C@@]3(C)CCCOC3)CC2)n1 ZINC001571272806 945672042 /nfs/dbraw/zinc/67/20/42/945672042.db2.gz IPWWCKCTMBAJJB-SFHVURJKSA-N -1 1 386.460 0.867 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001571272907 945673192 /nfs/dbraw/zinc/67/31/92/945673192.db2.gz KTPLMKYGZUQXAB-BLLLJJGKSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571272907 945673197 /nfs/dbraw/zinc/67/31/97/945673197.db2.gz KTPLMKYGZUQXAB-BLLLJJGKSA-N -1 1 386.460 0.757 20 0 GCADMM CN(CC1CCN(C(=O)C[C@H]2CCOC2)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272896 945673665 /nfs/dbraw/zinc/67/36/65/945673665.db2.gz KJUVKMCAGOTCGC-CQSZACIVSA-N -1 1 386.460 0.758 20 0 GCADMM CN(CC1CCN(C(=O)C[C@H]2CCOC2)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272896 945673670 /nfs/dbraw/zinc/67/36/70/945673670.db2.gz KJUVKMCAGOTCGC-CQSZACIVSA-N -1 1 386.460 0.758 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(C2)CN(C(=O)C(C)C)C[C@H](C)O3)n1 ZINC001571272867 945674261 /nfs/dbraw/zinc/67/42/61/945674261.db2.gz JRPMKAVGDMJIRN-SCLBCKFNSA-N -1 1 386.460 0.817 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(C2)CN(C(=O)C(C)C)C[C@H](C)O3)n1 ZINC001571272867 945674262 /nfs/dbraw/zinc/67/42/62/945674262.db2.gz JRPMKAVGDMJIRN-SCLBCKFNSA-N -1 1 386.460 0.817 20 0 GCADMM CO[C@@H]1CCC[C@@H](C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571272954 945675314 /nfs/dbraw/zinc/67/53/14/945675314.db2.gz LOJMIVWQIDKVIV-TZMCWYRMSA-N -1 1 386.460 0.687 20 0 GCADMM CO[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001571272956 945675970 /nfs/dbraw/zinc/67/59/70/945675970.db2.gz LPGLHBRQSZSFHN-CJNGLKHVSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001571272956 945675973 /nfs/dbraw/zinc/67/59/73/945675973.db2.gz LPGLHBRQSZSFHN-CJNGLKHVSA-N -1 1 386.460 0.899 20 0 GCADMM COC1CCC(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272962 945676430 /nfs/dbraw/zinc/67/64/30/945676430.db2.gz LTJFVXGLSPDJHT-ROKHWSDSSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571273002 945677191 /nfs/dbraw/zinc/67/71/91/945677191.db2.gz MQPMEWVDWOYDMX-LBPRGKRZSA-N -1 1 386.460 0.804 20 0 GCADMM CO[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571273005 945677211 /nfs/dbraw/zinc/67/72/11/945677211.db2.gz MUUUWOIBHHVKIX-XDQVBPFNSA-N -1 1 386.460 0.591 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2CNC(=O)[C@H]2CCCO2)n1 ZINC001571273058 945677620 /nfs/dbraw/zinc/67/76/20/945677620.db2.gz OEQTYDHIMMWWHA-GXTWGEPZSA-N -1 1 386.460 0.873 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2CNC(=O)[C@H]2CCCO2)n1 ZINC001571273058 945677627 /nfs/dbraw/zinc/67/76/27/945677627.db2.gz OEQTYDHIMMWWHA-GXTWGEPZSA-N -1 1 386.460 0.873 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)[C@H]3CCCCO3)C2)n1 ZINC001571273149 945679161 /nfs/dbraw/zinc/67/91/61/945679161.db2.gz QMNLSDOMMCETTI-UKRRQHHQSA-N -1 1 386.460 0.819 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)[C@H]3CCCCO3)C2)n1 ZINC001571273149 945679166 /nfs/dbraw/zinc/67/91/66/945679166.db2.gz QMNLSDOMMCETTI-UKRRQHHQSA-N -1 1 386.460 0.819 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273084 945679647 /nfs/dbraw/zinc/67/96/47/945679647.db2.gz OSXFZOFMSXBZFT-HSBZDZAISA-N -1 1 386.460 0.493 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273084 945679658 /nfs/dbraw/zinc/67/96/58/945679658.db2.gz OSXFZOFMSXBZFT-HSBZDZAISA-N -1 1 386.460 0.493 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)C[C@H]3CCOC3)C(C)(C)C2)n1 ZINC001571273188 945681109 /nfs/dbraw/zinc/68/11/09/945681109.db2.gz SECYXSYBSFRKRV-OCCSQVGLSA-N -1 1 386.460 0.723 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)C[C@H]3CCOC3)C(C)(C)C2)n1 ZINC001571273188 945681115 /nfs/dbraw/zinc/68/11/15/945681115.db2.gz SECYXSYBSFRKRV-OCCSQVGLSA-N -1 1 386.460 0.723 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)C1CCC(O)CC1 ZINC001571273174 945681460 /nfs/dbraw/zinc/68/14/60/945681460.db2.gz RRYTZHGACASQCB-NWINJMCUSA-N -1 1 386.460 0.469 20 0 GCADMM O=C(NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCOCC1 ZINC001571273396 945685458 /nfs/dbraw/zinc/68/54/58/945685458.db2.gz WYGSBBZCKCTPFY-KGLIPLIRSA-N -1 1 386.460 0.806 20 0 GCADMM O=C(NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCOCC1 ZINC001571273396 945685461 /nfs/dbraw/zinc/68/54/61/945685461.db2.gz WYGSBBZCKCTPFY-KGLIPLIRSA-N -1 1 386.460 0.806 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273333 945686220 /nfs/dbraw/zinc/68/62/20/945686220.db2.gz VPNXGVXVHWVTSX-STQMWFEESA-N -1 1 386.460 0.588 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273333 945686226 /nfs/dbraw/zinc/68/62/26/945686226.db2.gz VPNXGVXVHWVTSX-STQMWFEESA-N -1 1 386.460 0.588 20 0 GCADMM CO[C@H]1CCC[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273356 945686273 /nfs/dbraw/zinc/68/62/73/945686273.db2.gz WCEQXSPUHHCRJM-HIFRSBDPSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H]1CCC[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273356 945686280 /nfs/dbraw/zinc/68/62/80/945686280.db2.gz WCEQXSPUHHCRJM-HIFRSBDPSA-N -1 1 386.460 0.899 20 0 GCADMM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1c(F)cncc1F ZINC001571274910 945701592 /nfs/dbraw/zinc/70/15/92/945701592.db2.gz MNURETUJVPUCCE-UHFFFAOYSA-N -1 1 387.354 0.729 20 0 GCADMM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1c(F)cncc1F ZINC001571274910 945701597 /nfs/dbraw/zinc/70/15/97/945701597.db2.gz MNURETUJVPUCCE-UHFFFAOYSA-N -1 1 387.354 0.729 20 0 GCADMM COC[C@](C)(NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1)C(=O)OC ZINC001571275110 945703400 /nfs/dbraw/zinc/70/34/00/945703400.db2.gz PLGMTRNPEWHFTI-AWEZNQCLSA-N -1 1 387.393 0.171 20 0 GCADMM O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001571275330 945704861 /nfs/dbraw/zinc/70/48/61/945704861.db2.gz SDXAXPMDWBUCBJ-QMMMGPOBSA-N -1 1 386.869 0.945 20 0 GCADMM C[C@@H]1C[C@H](C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571275690 945711162 /nfs/dbraw/zinc/71/11/62/945711162.db2.gz AQVVZIANWYKOFT-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1C[C@H](C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571275690 945711167 /nfs/dbraw/zinc/71/11/67/945711167.db2.gz AQVVZIANWYKOFT-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(O)CC(=O)N1C[C@@]2(C)CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571275733 945713681 /nfs/dbraw/zinc/71/36/81/945713681.db2.gz BNWGGJYGPWXFNU-HDICACEKSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)COC1CCCCC1 ZINC001571275725 945713726 /nfs/dbraw/zinc/71/37/26/945713726.db2.gz BJBQWKYOQPZEJZ-STQMWFEESA-N -1 1 386.460 0.829 20 0 GCADMM C[C@H]1COCC[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571275810 945715454 /nfs/dbraw/zinc/71/54/54/945715454.db2.gz CYBBAMHGLKYRDX-GXTWGEPZSA-N -1 1 386.460 0.757 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571275818 945716155 /nfs/dbraw/zinc/71/61/55/945716155.db2.gz CZFHZDJQLWOLTR-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571275818 945716160 /nfs/dbraw/zinc/71/61/60/945716160.db2.gz CZFHZDJQLWOLTR-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571275776 945716498 /nfs/dbraw/zinc/71/64/98/945716498.db2.gz CDDATUKLPZCSFT-YUTCNCBUSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571275776 945716499 /nfs/dbraw/zinc/71/64/99/945716499.db2.gz CDDATUKLPZCSFT-YUTCNCBUSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC[C@H](C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571275803 945716579 /nfs/dbraw/zinc/71/65/79/945716579.db2.gz CRCWIZFRIBNYRB-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC[C@H](C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571275803 945716583 /nfs/dbraw/zinc/71/65/83/945716583.db2.gz CRCWIZFRIBNYRB-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CCOC1CC(CC(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571275895 945717639 /nfs/dbraw/zinc/71/76/39/945717639.db2.gz FCFCKMANPQFDRT-MOKVOYLWSA-N -1 1 386.460 0.899 20 0 GCADMM CCOC1CC(CC(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571275895 945717648 /nfs/dbraw/zinc/71/76/48/945717648.db2.gz FCFCKMANPQFDRT-MOKVOYLWSA-N -1 1 386.460 0.899 20 0 GCADMM CCC(=O)N1CCOC2(CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)CC2)C1 ZINC001571275871 945718747 /nfs/dbraw/zinc/71/87/47/945718747.db2.gz DTNITSDTGDGYST-UHFFFAOYSA-N -1 1 386.460 0.827 20 0 GCADMM CCC(=O)N1CCOC2(CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)CC2)C1 ZINC001571275871 945718750 /nfs/dbraw/zinc/71/87/50/945718750.db2.gz DTNITSDTGDGYST-UHFFFAOYSA-N -1 1 386.460 0.827 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)CCC2CCC2)CCO1 ZINC001571275949 945721480 /nfs/dbraw/zinc/72/14/80/945721480.db2.gz GGTPUSOFFQGUQL-OCCSQVGLSA-N -1 1 386.460 0.687 20 0 GCADMM CC[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571276084 945722021 /nfs/dbraw/zinc/72/20/21/945722021.db2.gz HAQZSIUDIBKHEA-SYQHCUMBSA-N -1 1 386.460 0.591 20 0 GCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C[C@H]1CCCOC1 ZINC001571276082 945722148 /nfs/dbraw/zinc/72/21/48/945722148.db2.gz HANTWYBVCJUTPA-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C[C@H]1CCCOC1 ZINC001571276082 945722154 /nfs/dbraw/zinc/72/21/54/945722154.db2.gz HANTWYBVCJUTPA-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)C[C@H]1CCCOC1 ZINC001571276081 945722243 /nfs/dbraw/zinc/72/22/43/945722243.db2.gz HANTWYBVCJUTPA-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)C[C@H]1CCCOC1 ZINC001571276081 945722252 /nfs/dbraw/zinc/72/22/52/945722252.db2.gz HANTWYBVCJUTPA-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM CCOC1CC(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571276599 945731471 /nfs/dbraw/zinc/73/14/71/945731471.db2.gz JKZOKCRIQNXKRI-UHFFFAOYSA-N -1 1 386.460 0.804 20 0 GCADMM CCOC1CC(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571276599 945731482 /nfs/dbraw/zinc/73/14/82/945731482.db2.gz JKZOKCRIQNXKRI-UHFFFAOYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)CC2(C)C)CCOC1 ZINC001571276567 945731764 /nfs/dbraw/zinc/73/17/64/945731764.db2.gz IRYLDSKULMEENJ-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)CC2(C)C)CCOC1 ZINC001571276567 945731769 /nfs/dbraw/zinc/73/17/69/945731769.db2.gz IRYLDSKULMEENJ-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM COc1ccnc(OC)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001571276665 945734017 /nfs/dbraw/zinc/73/40/17/945734017.db2.gz IUISZVUCNWSDHF-UHFFFAOYSA-N -1 1 387.404 0.289 20 0 GCADMM COc1ccnc(OC)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001571276665 945734025 /nfs/dbraw/zinc/73/40/25/945734025.db2.gz IUISZVUCNWSDHF-UHFFFAOYSA-N -1 1 387.404 0.289 20 0 GCADMM C[C@@H]1COCC[C@H]1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571276617 945734780 /nfs/dbraw/zinc/73/47/80/945734780.db2.gz JOEIVNNHEADJJC-TZMCWYRMSA-N -1 1 386.460 0.662 20 0 GCADMM C[C@@H]1COCC[C@H]1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571276617 945734790 /nfs/dbraw/zinc/73/47/90/945734790.db2.gz JOEIVNNHEADJJC-TZMCWYRMSA-N -1 1 386.460 0.662 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC001571276625 945735228 /nfs/dbraw/zinc/73/52/28/945735228.db2.gz JTUTXXKTDLRTPN-XIKOKIGWSA-N -1 1 386.460 0.544 20 0 GCADMM COC(=O)c1ccc(N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c(-c2nnn[n-]2)n1 ZINC001571277253 945739100 /nfs/dbraw/zinc/73/91/00/945739100.db2.gz NTSCCYRJNGOWLN-BTDLBPIBSA-N -1 1 387.400 0.763 20 0 GCADMM COC(=O)c1ccc(N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c(-c2nn[n-]n2)n1 ZINC001571277253 945739105 /nfs/dbraw/zinc/73/91/05/945739105.db2.gz NTSCCYRJNGOWLN-BTDLBPIBSA-N -1 1 387.400 0.763 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001571277517 945742317 /nfs/dbraw/zinc/74/23/17/945742317.db2.gz LFDBXCXCNRRLMQ-SCLBCKFNSA-N -1 1 386.460 0.546 20 0 GCADMM CC1(C)CCC(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)CC1 ZINC001571277583 945743199 /nfs/dbraw/zinc/74/31/99/945743199.db2.gz MBKXIWGYSLAMGA-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC[C@H](CNC(=O)[C@@H]2CCCO2)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571277465 945743688 /nfs/dbraw/zinc/74/36/88/945743688.db2.gz KOSGESRSLZJGMP-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@H](CNC(=O)[C@@H]2CCCO2)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571277465 945743698 /nfs/dbraw/zinc/74/36/98/945743698.db2.gz KOSGESRSLZJGMP-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CCOC1CC(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571277645 945745097 /nfs/dbraw/zinc/74/50/97/945745097.db2.gz MTVCZKHKSUAYSH-HSBZDZAISA-N -1 1 386.460 0.804 20 0 GCADMM CCOC1CC(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571277645 945745102 /nfs/dbraw/zinc/74/51/02/945745102.db2.gz MTVCZKHKSUAYSH-HSBZDZAISA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1C[C@H](C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571277648 945745437 /nfs/dbraw/zinc/74/54/37/945745437.db2.gz MYPFSJQIKUEFKZ-GXTWGEPZSA-N -1 1 386.460 0.544 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)C1 ZINC001571278456 945753229 /nfs/dbraw/zinc/75/32/29/945753229.db2.gz NGMBBFQBCATEIE-STQMWFEESA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571278621 945755782 /nfs/dbraw/zinc/75/57/82/945755782.db2.gz PNLXKQPZQQSVRJ-YNEHKIRRSA-N -1 1 386.460 0.978 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571278621 945755787 /nfs/dbraw/zinc/75/57/87/945755787.db2.gz PNLXKQPZQQSVRJ-YNEHKIRRSA-N -1 1 386.460 0.978 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001571278606 945756083 /nfs/dbraw/zinc/75/60/83/945756083.db2.gz PIHABSKYKACHAK-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCCO1 ZINC001571278604 945756559 /nfs/dbraw/zinc/75/65/59/945756559.db2.gz PHYUBYDZCXTNRK-MGPQQGTHSA-N -1 1 386.460 0.723 20 0 GCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCCO1 ZINC001571278604 945756567 /nfs/dbraw/zinc/75/65/67/945756567.db2.gz PHYUBYDZCXTNRK-MGPQQGTHSA-N -1 1 386.460 0.723 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278698 945757267 /nfs/dbraw/zinc/75/72/67/945757267.db2.gz RAHVUGKJMHGZOT-DZGCQCFKSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278698 945757277 /nfs/dbraw/zinc/75/72/77/945757277.db2.gz RAHVUGKJMHGZOT-DZGCQCFKSA-N -1 1 386.460 0.757 20 0 GCADMM CNC(=O)[C@H](C)CN(C)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821629944 945758911 /nfs/dbraw/zinc/75/89/11/945758911.db2.gz HBWPQTWKFHNTPN-SNVBAGLBSA-N -1 1 399.459 0.299 20 0 GCADMM CNC(=O)[C@H](C)CN(C)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821629944 945758915 /nfs/dbraw/zinc/75/89/15/945758915.db2.gz HBWPQTWKFHNTPN-SNVBAGLBSA-N -1 1 399.459 0.299 20 0 GCADMM 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NOEUDNZQPDHISU-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCC1(C2CCC2)CCC1 ZINC001571289250 945997659 /nfs/dbraw/zinc/99/76/59/945997659.db2.gz YEEPOWOTIIUTMT-UHFFFAOYSA-N -1 1 388.432 0.399 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573468823 945997718 /nfs/dbraw/zinc/99/77/18/945997718.db2.gz QBFYAXGZVUCKGE-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM Cc1nsc(N2CCC(NC(=O)[C@H](C)n3cncn3)CC2)c1-c1nn[n-]n1 ZINC001571289454 946007745 /nfs/dbraw/zinc/00/77/45/946007745.db2.gz DYWLQUZRWOGCQZ-JTQLQIEISA-N -1 1 388.461 0.569 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573469812 946010338 /nfs/dbraw/zinc/01/03/38/946010338.db2.gz XQOYHPWGHZAKRR-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573469812 946010355 /nfs/dbraw/zinc/01/03/55/946010355.db2.gz XQOYHPWGHZAKRR-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CCn1nncc1C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289729 946014492 /nfs/dbraw/zinc/01/44/92/946014492.db2.gz LIIRHNCYQCGGCE-JTQLQIEISA-N -1 1 388.461 0.642 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001573470328 946023314 /nfs/dbraw/zinc/02/33/14/946023314.db2.gz CVPWEKYGWDJIIW-KOLCDFICSA-N -1 1 392.489 0.805 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573470403 946025518 /nfs/dbraw/zinc/02/55/18/946025518.db2.gz DSURDUCUFCIZFG-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@H](CN(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001571290049 946026182 /nfs/dbraw/zinc/02/61/82/946026182.db2.gz TYQFFVRBPVYHQN-UKRRQHHQSA-N -1 1 388.476 0.921 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@H](CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001571290049 946026190 /nfs/dbraw/zinc/02/61/90/946026190.db2.gz TYQFFVRBPVYHQN-UKRRQHHQSA-N -1 1 388.476 0.921 20 0 GCADMM Cc1nsc(N2CCCO[C@H](CNC(=O)c3ccc[nH]3)C2)c1-c1nn[n-]n1 ZINC001571289995 946026977 /nfs/dbraw/zinc/02/69/77/946026977.db2.gz RXSDMBXODSHRNF-LLVKDONJSA-N -1 1 388.457 0.985 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573470488 946027494 /nfs/dbraw/zinc/02/74/94/946027494.db2.gz FSOCGINBHVOXNX-ONGXEEELSA-N -1 1 378.462 0.559 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573470614 946030721 /nfs/dbraw/zinc/03/07/21/946030721.db2.gz HUZDWRZHRUCOKE-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573470614 946030734 /nfs/dbraw/zinc/03/07/34/946030734.db2.gz HUZDWRZHRUCOKE-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573470574 946031457 /nfs/dbraw/zinc/03/14/57/946031457.db2.gz HEEJENSEQJOYKA-GXSJLCMTSA-N -1 1 378.462 0.417 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290396 946040799 /nfs/dbraw/zinc/04/07/99/946040799.db2.gz CUVPUNPLNUQNPD-VIFPVBQESA-N -1 1 388.823 0.338 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1nn(C)cc1Cl ZINC001571290384 946042327 /nfs/dbraw/zinc/04/23/27/946042327.db2.gz COCCXXSGGXVDQU-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1nn(C)cc1Cl ZINC001571290384 946042338 /nfs/dbraw/zinc/04/23/38/946042338.db2.gz COCCXXSGGXVDQU-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573471136 946042882 /nfs/dbraw/zinc/04/28/82/946042882.db2.gz MLMNKGRVUZFTBU-LLVKDONJSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573471136 946042894 /nfs/dbraw/zinc/04/28/94/946042894.db2.gz MLMNKGRVUZFTBU-LLVKDONJSA-N -1 1 387.448 0.140 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571290581 946046609 /nfs/dbraw/zinc/04/66/09/946046609.db2.gz JFIASGZBBJSZFH-WCBMZHEXSA-N -1 1 388.823 0.616 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571290581 946046623 /nfs/dbraw/zinc/04/66/23/946046623.db2.gz JFIASGZBBJSZFH-WCBMZHEXSA-N -1 1 388.823 0.616 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571290580 946049261 /nfs/dbraw/zinc/04/92/61/946049261.db2.gz JFIASGZBBJSZFH-SCZZXKLOSA-N -1 1 388.823 0.616 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571290580 946049274 /nfs/dbraw/zinc/04/92/74/946049274.db2.gz JFIASGZBBJSZFH-SCZZXKLOSA-N -1 1 388.823 0.616 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290659 946050736 /nfs/dbraw/zinc/05/07/36/946050736.db2.gz KZEBDNXYVJNGFZ-NSHDSACASA-N -1 1 388.823 0.292 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290659 946050747 /nfs/dbraw/zinc/05/07/47/946050747.db2.gz KZEBDNXYVJNGFZ-NSHDSACASA-N -1 1 388.823 0.292 20 0 GCADMM Cn1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(Cl)n1 ZINC001571290617 946051511 /nfs/dbraw/zinc/05/15/11/946051511.db2.gz KIMIHAWDJYGPBW-DTORHVGOSA-N -1 1 388.823 0.664 20 0 GCADMM Cn1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(Cl)n1 ZINC001571290617 946051524 /nfs/dbraw/zinc/05/15/24/946051524.db2.gz KIMIHAWDJYGPBW-DTORHVGOSA-N -1 1 388.823 0.664 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573471669 946052986 /nfs/dbraw/zinc/05/29/86/946052986.db2.gz QEGIPIDBVMLBQX-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573471669 946052998 /nfs/dbraw/zinc/05/29/98/946052998.db2.gz QEGIPIDBVMLBQX-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CCC(CC)(CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(F)(F)F ZINC001571290769 946053776 /nfs/dbraw/zinc/05/37/76/946053776.db2.gz OIVGIHAVNZGDNG-UHFFFAOYSA-N -1 1 389.338 0.614 20 0 GCADMM CCc1[nH]nc(Cl)c1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290778 946055674 /nfs/dbraw/zinc/05/56/74/946055674.db2.gz OMBXWBFERFJOCB-MRVPVSSYSA-N -1 1 388.823 0.922 20 0 GCADMM Cn1c(Cl)ncc1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571290833 946057875 /nfs/dbraw/zinc/05/78/75/946057875.db2.gz QKQLJIYGRDHZHS-UHFFFAOYSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1c(Cl)ncc1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571290833 946057888 /nfs/dbraw/zinc/05/78/88/946057888.db2.gz QKQLJIYGRDHZHS-UHFFFAOYSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1Cl ZINC001571290820 946058196 /nfs/dbraw/zinc/05/81/96/946058196.db2.gz QBAOOPUENXEISA-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1Cl ZINC001571290820 946058208 /nfs/dbraw/zinc/05/82/08/946058208.db2.gz QBAOOPUENXEISA-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1c(Cl)ncc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571290909 946058570 /nfs/dbraw/zinc/05/85/70/946058570.db2.gz UIBPWDHCBNKYRA-UHFFFAOYSA-N -1 1 388.823 0.442 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571290863 946059227 /nfs/dbraw/zinc/05/92/27/946059227.db2.gz RGWDKYQAYGIXCF-GZMMTYOYSA-N -1 1 388.823 0.616 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571290863 946059241 /nfs/dbraw/zinc/05/92/41/946059241.db2.gz RGWDKYQAYGIXCF-GZMMTYOYSA-N -1 1 388.823 0.616 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573472188 946062494 /nfs/dbraw/zinc/06/24/94/946062494.db2.gz UMFYOHVWLNTJCA-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573472188 946062503 /nfs/dbraw/zinc/06/25/03/946062503.db2.gz UMFYOHVWLNTJCA-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM Cn1nc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1Cl ZINC001571290977 946063389 /nfs/dbraw/zinc/06/33/89/946063389.db2.gz WLZPOMITVDLNNQ-UHFFFAOYSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1nc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1Cl ZINC001571290977 946063401 /nfs/dbraw/zinc/06/34/01/946063401.db2.gz WLZPOMITVDLNNQ-UHFFFAOYSA-N -1 1 388.823 0.442 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571291039 946066528 /nfs/dbraw/zinc/06/65/28/946066528.db2.gz YSRMAEBTDUNMEV-GMSGAONNSA-N -1 1 388.823 0.596 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573472983 946073612 /nfs/dbraw/zinc/07/36/12/946073612.db2.gz YQGCKAUBMMCYER-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573472983 946073621 /nfs/dbraw/zinc/07/36/21/946073621.db2.gz YQGCKAUBMMCYER-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001571291646 946082163 /nfs/dbraw/zinc/08/21/63/946082163.db2.gz NSGBPMKLXAWDLT-ZDUSSCGKSA-N -1 1 389.416 0.514 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001571291646 946082174 /nfs/dbraw/zinc/08/21/74/946082174.db2.gz NSGBPMKLXAWDLT-ZDUSSCGKSA-N -1 1 389.416 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001573474095 946085745 /nfs/dbraw/zinc/08/57/45/946085745.db2.gz IIISSEBTFNYYSG-ADEWGFFLSA-N -1 1 390.473 0.193 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573474365 946089592 /nfs/dbraw/zinc/08/95/92/946089592.db2.gz KXYGTPRINBZEFM-FVMDXXJSSA-N -1 1 392.489 0.853 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573474804 946095566 /nfs/dbraw/zinc/09/55/66/946095566.db2.gz NWXXZUNRHTXWKO-NQBHXWOUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573474804 946095577 /nfs/dbraw/zinc/09/55/77/946095577.db2.gz NWXXZUNRHTXWKO-NQBHXWOUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573475136 946097151 /nfs/dbraw/zinc/09/71/51/946097151.db2.gz PWFFFCZQOCGTIH-SSDOTTSWSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573475136 946097162 /nfs/dbraw/zinc/09/71/62/946097162.db2.gz PWFFFCZQOCGTIH-SSDOTTSWSA-N -1 1 384.853 0.150 20 0 GCADMM Cc1nonc1CC(=O)NC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571293194 946099518 /nfs/dbraw/zinc/09/95/18/946099518.db2.gz AZMSNJOFLIISQA-UHFFFAOYSA-N -1 1 389.445 0.651 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CCc2cccnc21 ZINC001571293388 946103756 /nfs/dbraw/zinc/10/37/56/946103756.db2.gz GWLLYWMOXFFMNV-BCUIYNNISA-N -1 1 389.423 0.333 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573475750 946104282 /nfs/dbraw/zinc/10/42/82/946104282.db2.gz AJMXVJATDFPOKE-RNFRBKRXSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573476362 946116049 /nfs/dbraw/zinc/11/60/49/946116049.db2.gz FVSBLODFUQIDAF-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573476362 946116056 /nfs/dbraw/zinc/11/60/56/946116056.db2.gz FVSBLODFUQIDAF-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573476361 946116439 /nfs/dbraw/zinc/11/64/39/946116439.db2.gz FVSBLODFUQIDAF-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573476361 946116447 /nfs/dbraw/zinc/11/64/47/946116447.db2.gz FVSBLODFUQIDAF-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM Cc1nnc(CC(=O)N2CCC[C@@H]2CNc2snc(C)c2-c2nn[n-]n2)o1 ZINC001571294037 946123602 /nfs/dbraw/zinc/12/36/02/946123602.db2.gz YTHZEXYJGUWFBE-SNVBAGLBSA-N -1 1 389.445 0.969 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573477256 946129793 /nfs/dbraw/zinc/12/97/93/946129793.db2.gz NLAQKLMZTAYILC-VFZGTOFNSA-N -1 1 378.462 0.241 20 0 GCADMM Cn1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C(F)F)n1 ZINC001571294256 946129931 /nfs/dbraw/zinc/12/99/31/946129931.db2.gz CMUVFDQZYMEMON-MRVPVSSYSA-N -1 1 390.358 0.654 20 0 GCADMM Cn1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C(F)F)n1 ZINC001571294256 946129936 /nfs/dbraw/zinc/12/99/36/946129936.db2.gz CMUVFDQZYMEMON-MRVPVSSYSA-N -1 1 390.358 0.654 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573477255 946130018 /nfs/dbraw/zinc/13/00/18/946130018.db2.gz NLAQKLMZTAYILC-RFAUZJTJSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573477291 946132858 /nfs/dbraw/zinc/13/28/58/946132858.db2.gz OBFVVJTVZYLGPF-AMWJZZMOSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573477291 946132865 /nfs/dbraw/zinc/13/28/65/946132865.db2.gz OBFVVJTVZYLGPF-AMWJZZMOSA-N -1 1 385.432 0.021 20 0 GCADMM O=C(Cn1ccc(C(F)F)n1)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571294431 946134038 /nfs/dbraw/zinc/13/40/38/946134038.db2.gz FYNZMTZJHLIQIA-SECBINFHSA-N -1 1 390.358 0.186 20 0 GCADMM O=C(Cn1ccc(C(F)F)n1)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571294431 946134046 /nfs/dbraw/zinc/13/40/46/946134046.db2.gz FYNZMTZJHLIQIA-SECBINFHSA-N -1 1 390.358 0.186 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2c2nc3ccccc3[nH]2)n(C)c1=O ZINC000822600659 946135567 /nfs/dbraw/zinc/13/55/67/946135567.db2.gz OYFFBNQKDTZTBL-GFCCVEGCSA-N -1 1 393.411 0.482 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573477460 946137146 /nfs/dbraw/zinc/13/71/46/946137146.db2.gz RAHHBDWIFUDZLM-POYBYMJQSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573477460 946137152 /nfs/dbraw/zinc/13/71/52/946137152.db2.gz RAHHBDWIFUDZLM-POYBYMJQSA-N -1 1 384.853 0.196 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)n1 ZINC000822609817 946137775 /nfs/dbraw/zinc/13/77/75/946137775.db2.gz VZMPRXRYUZAJAE-GFCCVEGCSA-N -1 1 385.388 0.506 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)n1 ZINC000822609817 946137783 /nfs/dbraw/zinc/13/77/83/946137783.db2.gz VZMPRXRYUZAJAE-GFCCVEGCSA-N -1 1 385.388 0.506 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000822608715 946138299 /nfs/dbraw/zinc/13/82/99/946138299.db2.gz HNBRXZRKWISDCQ-SNVBAGLBSA-N -1 1 391.436 0.979 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000822608715 946138307 /nfs/dbraw/zinc/13/83/07/946138307.db2.gz HNBRXZRKWISDCQ-SNVBAGLBSA-N -1 1 391.436 0.979 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573477622 946141785 /nfs/dbraw/zinc/14/17/85/946141785.db2.gz SWTGSKPPPWTEIH-RQJHMYQMSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573477622 946141786 /nfs/dbraw/zinc/14/17/86/946141786.db2.gz SWTGSKPPPWTEIH-RQJHMYQMSA-N -1 1 386.869 0.665 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC001571294805 946145212 /nfs/dbraw/zinc/14/52/12/946145212.db2.gz MKFBNOYKTDPLEZ-WCQYABFASA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC001571294805 946145217 /nfs/dbraw/zinc/14/52/17/946145217.db2.gz MKFBNOYKTDPLEZ-WCQYABFASA-N -1 1 389.464 0.704 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1CC(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573478485 946147214 /nfs/dbraw/zinc/14/72/14/946147214.db2.gz XABDIXOAURUOPQ-MFAVDMRSSA-N -1 1 378.462 0.463 20 0 GCADMM C[C@@]1(NC(=O)c2cc(C(F)F)n[nH]2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294924 946148291 /nfs/dbraw/zinc/14/82/91/946148291.db2.gz PWSKZPLHFIGJBK-OAHLLOKOSA-N -1 1 390.358 0.716 20 0 GCADMM C[C@@]1(NC(=O)c2cc(C(F)F)n[nH]2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294924 946148300 /nfs/dbraw/zinc/14/83/00/946148300.db2.gz PWSKZPLHFIGJBK-OAHLLOKOSA-N -1 1 390.358 0.716 20 0 GCADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(Cl)no1 ZINC001571294884 946148461 /nfs/dbraw/zinc/14/84/61/946148461.db2.gz PDHUFYYSWLPHDX-SECBINFHSA-N -1 1 389.807 0.945 20 0 GCADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(Cl)no1 ZINC001571294884 946148467 /nfs/dbraw/zinc/14/84/67/946148467.db2.gz PDHUFYYSWLPHDX-SECBINFHSA-N -1 1 389.807 0.945 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573478596 946149282 /nfs/dbraw/zinc/14/92/82/946149282.db2.gz XPMRRLIDMYYTJG-JQWIXIFHSA-N -1 1 392.489 0.631 20 0 GCADMM CN(C[C@H]1CCN(C(=O)c2cc(Cl)no2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571294994 946149416 /nfs/dbraw/zinc/14/94/16/946149416.db2.gz MZPYCHOIUFUOSR-SECBINFHSA-N -1 1 389.807 0.897 20 0 GCADMM CN(C[C@H]1CCN(C(=O)c2cc(Cl)no2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571294994 946149423 /nfs/dbraw/zinc/14/94/23/946149423.db2.gz MZPYCHOIUFUOSR-SECBINFHSA-N -1 1 389.807 0.897 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571295259 946160222 /nfs/dbraw/zinc/16/02/22/946160222.db2.gz RHQPIRIUWBIGGP-RKDXNWHRSA-N -1 1 389.807 0.540 20 0 GCADMM CC(F)(F)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001571295362 946161799 /nfs/dbraw/zinc/16/17/99/946161799.db2.gz YVMBAPZKHUGLOS-UHFFFAOYSA-N -1 1 390.391 0.967 20 0 GCADMM CC(F)(F)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571295362 946161806 /nfs/dbraw/zinc/16/18/06/946161806.db2.gz YVMBAPZKHUGLOS-UHFFFAOYSA-N -1 1 390.391 0.967 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573479579 946164417 /nfs/dbraw/zinc/16/44/17/946164417.db2.gz FMLCISNRSZHRKF-ZYHUDNBSSA-N -1 1 392.489 0.489 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295697 946172404 /nfs/dbraw/zinc/17/24/04/946172404.db2.gz CLAZWPGYIRKAKT-GFCCVEGCSA-N -1 1 390.423 0.603 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295697 946172416 /nfs/dbraw/zinc/17/24/16/946172416.db2.gz CLAZWPGYIRKAKT-GFCCVEGCSA-N -1 1 390.423 0.603 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571295719 946172813 /nfs/dbraw/zinc/17/28/13/946172813.db2.gz DALONGGFZLTVMN-LBPRGKRZSA-N -1 1 390.423 0.460 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571295719 946172818 /nfs/dbraw/zinc/17/28/18/946172818.db2.gz DALONGGFZLTVMN-LBPRGKRZSA-N -1 1 390.423 0.460 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001571295786 946173979 /nfs/dbraw/zinc/17/39/79/946173979.db2.gz FYFCFBBHXBNZAO-PIGZYNQJSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295858 946177759 /nfs/dbraw/zinc/17/77/59/946177759.db2.gz HRHKPHMGWKJNPE-RYUDHWBXSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295858 946177769 /nfs/dbraw/zinc/17/77/69/946177769.db2.gz HRHKPHMGWKJNPE-RYUDHWBXSA-N -1 1 390.423 0.824 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573481055 946180282 /nfs/dbraw/zinc/18/02/82/946180282.db2.gz NQOJHVITWFISBO-DGCLKSJQSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573481055 946180289 /nfs/dbraw/zinc/18/02/89/946180289.db2.gz NQOJHVITWFISBO-DGCLKSJQSA-N -1 1 387.448 0.047 20 0 GCADMM CC[C@H]1C[C@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 ZINC001571295991 946181470 /nfs/dbraw/zinc/18/14/70/946181470.db2.gz LTKKSRIKNGMWRH-NEPJUHHUSA-N -1 1 390.448 0.960 20 0 GCADMM CC[C@H]1C[C@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCO1 ZINC001571295991 946181474 /nfs/dbraw/zinc/18/14/74/946181474.db2.gz LTKKSRIKNGMWRH-NEPJUHHUSA-N -1 1 390.448 0.960 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C1(F)CCCCC1 ZINC001571296042 946181954 /nfs/dbraw/zinc/18/19/54/946181954.db2.gz MLEKDDCVAUMIEC-NWDGAFQWSA-N -1 1 390.423 0.385 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)C1(F)CCCCC1 ZINC001571296042 946181957 /nfs/dbraw/zinc/18/19/57/946181957.db2.gz MLEKDDCVAUMIEC-NWDGAFQWSA-N -1 1 390.423 0.385 20 0 GCADMM O=C(N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@]1(F)CCOC1 ZINC001571296157 946187321 /nfs/dbraw/zinc/18/73/21/946187321.db2.gz PFMDRSACNDKVDB-YVEFUNNKSA-N -1 1 390.423 0.826 20 0 GCADMM O=C(N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)[C@@]1(F)CCOC1 ZINC001571296157 946187330 /nfs/dbraw/zinc/18/73/30/946187330.db2.gz PFMDRSACNDKVDB-YVEFUNNKSA-N -1 1 390.423 0.826 20 0 GCADMM O=C(N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)[C@]1(F)CCOC1 ZINC001571296155 946187980 /nfs/dbraw/zinc/18/79/80/946187980.db2.gz PFMDRSACNDKVDB-SJCJKPOMSA-N -1 1 390.423 0.826 20 0 GCADMM O=C(N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)[C@]1(F)CCOC1 ZINC001571296155 946187987 /nfs/dbraw/zinc/18/79/87/946187987.db2.gz PFMDRSACNDKVDB-SJCJKPOMSA-N -1 1 390.423 0.826 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571296219 946189969 /nfs/dbraw/zinc/18/99/69/946189969.db2.gz QZJHPERHDNIHJI-RYUDHWBXSA-N -1 1 390.423 0.246 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001571296303 946191376 /nfs/dbraw/zinc/19/13/76/946191376.db2.gz UEZCJAPDLDRAQM-KRWDZBQOSA-N -1 1 390.423 0.433 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001571296303 946191385 /nfs/dbraw/zinc/19/13/85/946191385.db2.gz UEZCJAPDLDRAQM-KRWDZBQOSA-N -1 1 390.423 0.433 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@H]1COc2ccccc21 ZINC001571296414 946193354 /nfs/dbraw/zinc/19/33/54/946193354.db2.gz XGMUDBLZLNRGPM-SFDCQRBFSA-N -1 1 390.407 0.384 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@H]1COc2ccccc21 ZINC001571296414 946193361 /nfs/dbraw/zinc/19/33/61/946193361.db2.gz XGMUDBLZLNRGPM-SFDCQRBFSA-N -1 1 390.407 0.384 20 0 GCADMM Cc1nc(C(=O)NC[C@@H]2COCCN2c2snc(C)c2-c2nn[n-]n2)co1 ZINC001571296434 946194885 /nfs/dbraw/zinc/19/48/85/946194885.db2.gz XOHHIXFMMTWPOI-SNVBAGLBSA-N -1 1 390.429 0.563 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3C)C2)c1-c1nn[n-]n1 ZINC001571297946 946201984 /nfs/dbraw/zinc/20/19/84/946201984.db2.gz FGCWYZYKTDBRBO-WDEREUQCSA-N -1 1 390.473 0.337 20 0 GCADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571298439 946215674 /nfs/dbraw/zinc/21/56/74/946215674.db2.gz NVTJZRQYZPNDTA-GHMZBOCLSA-N -1 1 390.473 0.337 20 0 GCADMM Cc1nsc(N2CCCN(C(=O)C[C@H]3CCC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571298469 946218850 /nfs/dbraw/zinc/21/88/50/946218850.db2.gz ONPRABYAEOZWRO-LLVKDONJSA-N -1 1 390.473 0.339 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001571298595 946222807 /nfs/dbraw/zinc/22/28/07/946222807.db2.gz HIOFBQQCELGULD-LRDDRELGSA-N -1 1 390.451 0.895 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573485395 946224732 /nfs/dbraw/zinc/22/47/32/946224732.db2.gz RZZMPGFZWDTHLK-LBPRGKRZSA-N -1 1 389.464 0.211 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573485395 946224743 /nfs/dbraw/zinc/22/47/43/946224743.db2.gz RZZMPGFZWDTHLK-LBPRGKRZSA-N -1 1 389.464 0.211 20 0 GCADMM Cc1nsc(NC2CC(N(C)C(=O)[C@H]3CCC(=O)N3C)C2)c1-c1nn[n-]n1 ZINC001571298726 946226279 /nfs/dbraw/zinc/22/62/79/946226279.db2.gz PYUQTKNQZUVGOF-VQXHTEKXSA-N -1 1 390.473 0.654 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573485525 946231178 /nfs/dbraw/zinc/23/11/78/946231178.db2.gz USJVQJQGIDIJEH-AEDCBLDQSA-N -1 1 399.459 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573485525 946231187 /nfs/dbraw/zinc/23/11/87/946231187.db2.gz USJVQJQGIDIJEH-AEDCBLDQSA-N -1 1 399.459 0.047 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3occc3Cl)[C@@H](O)C2)n1 ZINC001571298860 946231259 /nfs/dbraw/zinc/23/12/59/946231259.db2.gz FMFSXCUFTVUZOC-MNOVXSKESA-N -1 1 390.791 0.191 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3occc3Cl)[C@@H](O)C2)n1 ZINC001571298860 946231272 /nfs/dbraw/zinc/23/12/72/946231272.db2.gz FMFSXCUFTVUZOC-MNOVXSKESA-N -1 1 390.791 0.191 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573485983 946235291 /nfs/dbraw/zinc/23/52/91/946235291.db2.gz BMMRZSAICGFMGG-DRZSPHRISA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573485983 946235304 /nfs/dbraw/zinc/23/53/04/946235304.db2.gz BMMRZSAICGFMGG-DRZSPHRISA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573485922 946235713 /nfs/dbraw/zinc/23/57/13/946235713.db2.gz AZCBODJOISKCHK-APQOSEDMSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573485922 946235724 /nfs/dbraw/zinc/23/57/24/946235724.db2.gz AZCBODJOISKCHK-APQOSEDMSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573486422 946239732 /nfs/dbraw/zinc/23/97/32/946239732.db2.gz GHBIAVOLOYXXDV-RAIGVLPGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573486422 946239744 /nfs/dbraw/zinc/23/97/44/946239744.db2.gz GHBIAVOLOYXXDV-RAIGVLPGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573487334 946250938 /nfs/dbraw/zinc/25/09/38/946250938.db2.gz NKPYDEMKVBJTNT-CQSZACIVSA-N -1 1 389.464 0.468 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573487334 946250949 /nfs/dbraw/zinc/25/09/49/946250949.db2.gz NKPYDEMKVBJTNT-CQSZACIVSA-N -1 1 389.464 0.468 20 0 GCADMM O=C([C@H]1CCc2ccccc2C1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299434 946251528 /nfs/dbraw/zinc/25/15/28/946251528.db2.gz RDCIHXLOBNZLQD-HOTGVXAUSA-N -1 1 390.451 0.897 20 0 GCADMM Cc1nsc(N2CC[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)c1-c1nn[n-]n1 ZINC001571299544 946253300 /nfs/dbraw/zinc/25/33/00/946253300.db2.gz WSLJOIPATNXCSN-WDEREUQCSA-N -1 1 390.473 0.052 20 0 GCADMM Cc1nsc(N[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)c1-c1nn[n-]n1 ZINC001571299557 946254530 /nfs/dbraw/zinc/25/45/30/946254530.db2.gz XDQUHVRWMYBGAU-GHMZBOCLSA-N -1 1 390.473 0.561 20 0 GCADMM Cc1nsc(N[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299661 946255996 /nfs/dbraw/zinc/25/59/96/946255996.db2.gz YVUYWUJQJYGSKU-GXSJLCMTSA-N -1 1 390.473 0.513 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573487820 946260257 /nfs/dbraw/zinc/26/02/57/946260257.db2.gz UFGOGDXCWIKFHU-GEVIPFJHSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573487820 946260265 /nfs/dbraw/zinc/26/02/65/946260265.db2.gz UFGOGDXCWIKFHU-GEVIPFJHSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573488051 946263235 /nfs/dbraw/zinc/26/32/35/946263235.db2.gz XBGOTDCJAXZWJS-ZDUSSCGKSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573488051 946263246 /nfs/dbraw/zinc/26/32/46/946263246.db2.gz XBGOTDCJAXZWJS-ZDUSSCGKSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573488594 946268571 /nfs/dbraw/zinc/26/85/71/946268571.db2.gz FDRLPPHVLMDVDR-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573488594 946268579 /nfs/dbraw/zinc/26/85/79/946268579.db2.gz FDRLPPHVLMDVDR-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488694 946271756 /nfs/dbraw/zinc/27/17/56/946271756.db2.gz JAENLJXSPFRSMB-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488694 946271768 /nfs/dbraw/zinc/27/17/68/946271768.db2.gz JAENLJXSPFRSMB-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCCC1 ZINC001573488779 946273761 /nfs/dbraw/zinc/27/37/61/946273761.db2.gz LUCCPDYRDFWWLJ-UHFFFAOYSA-N -1 1 389.485 0.678 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573488866 946280872 /nfs/dbraw/zinc/28/08/72/946280872.db2.gz OLYJFSSJKCALDQ-HAQNSBGRSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573488866 946280881 /nfs/dbraw/zinc/28/08/81/946280881.db2.gz OLYJFSSJKCALDQ-HAQNSBGRSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573495120 946305214 /nfs/dbraw/zinc/30/52/14/946305214.db2.gz OPSNIJRZFQXXEN-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573495120 946305223 /nfs/dbraw/zinc/30/52/23/946305223.db2.gz OPSNIJRZFQXXEN-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573495117 946305384 /nfs/dbraw/zinc/30/53/84/946305384.db2.gz OPSNIJRZFQXXEN-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573495117 946305396 /nfs/dbraw/zinc/30/53/96/946305396.db2.gz OPSNIJRZFQXXEN-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571302548 946306866 /nfs/dbraw/zinc/30/68/66/946306866.db2.gz AWDGPFHBMOMVEU-LSDHHAIUSA-N -1 1 391.439 0.940 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571302638 946310233 /nfs/dbraw/zinc/31/02/33/946310233.db2.gz DDJUDNDLYYONIP-HZPDHXFCSA-N -1 1 391.439 0.864 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571302638 946310246 /nfs/dbraw/zinc/31/02/46/946310246.db2.gz DDJUDNDLYYONIP-HZPDHXFCSA-N -1 1 391.439 0.864 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)C[C@H]32)cc(C)n1 ZINC001571302678 946311175 /nfs/dbraw/zinc/31/11/75/946311175.db2.gz FOXPEDRGPOPMCB-FOLVSLTJSA-N -1 1 391.439 0.842 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)C[C@H]32)cc(C)n1 ZINC001571302678 946311190 /nfs/dbraw/zinc/31/11/90/946311190.db2.gz FOXPEDRGPOPMCB-FOLVSLTJSA-N -1 1 391.439 0.842 20 0 GCADMM CC[C@H](OC1CCCCC1)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571302775 946313129 /nfs/dbraw/zinc/31/31/29/946313129.db2.gz BVXSHYRDAAGUDC-ZDUSSCGKSA-N -1 1 391.432 0.373 20 0 GCADMM Cc1ccncc1CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571302911 946317926 /nfs/dbraw/zinc/31/79/26/946317926.db2.gz IYJWNQVQXYGKRA-GASCZTMLSA-N -1 1 391.439 0.497 20 0 GCADMM COCCC1(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCCC1 ZINC001571303010 946320479 /nfs/dbraw/zinc/32/04/79/946320479.db2.gz HFZVAMARFJPELF-UHFFFAOYSA-N -1 1 391.432 0.232 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571303114 946326614 /nfs/dbraw/zinc/32/66/14/946326614.db2.gz MABXHKJHXDLEFO-LJQANCHMSA-N -1 1 391.439 0.723 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571303114 946326630 /nfs/dbraw/zinc/32/66/30/946326630.db2.gz MABXHKJHXDLEFO-LJQANCHMSA-N -1 1 391.439 0.723 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000823136274 946327950 /nfs/dbraw/zinc/32/79/50/946327950.db2.gz RWVSVIKVNBFVLJ-UHFFFAOYSA-N -1 1 379.340 0.942 20 0 GCADMM O=C(N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1(c2cccnc2)CC1 ZINC001571303318 946331957 /nfs/dbraw/zinc/33/19/57/946331957.db2.gz ORTGCAXSIOVKCD-UHFFFAOYSA-N -1 1 391.439 0.608 20 0 GCADMM Cc1ccc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)nc1C ZINC001571303618 946342568 /nfs/dbraw/zinc/34/25/68/946342568.db2.gz ULDHZBVCCXEIEJ-OKILXGFUSA-N -1 1 391.439 0.877 20 0 GCADMM Cc1ccc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)nc1C ZINC001571303618 946342581 /nfs/dbraw/zinc/34/25/81/946342581.db2.gz ULDHZBVCCXEIEJ-OKILXGFUSA-N -1 1 391.439 0.877 20 0 GCADMM CC(=O)NCC(=O)N(C)[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573497248 946346712 /nfs/dbraw/zinc/34/67/12/946346712.db2.gz ONQRNHHBRKYJNI-QMMMGPOBSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)NCC(=O)N(C)[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573497248 946346725 /nfs/dbraw/zinc/34/67/25/946346725.db2.gz ONQRNHHBRKYJNI-QMMMGPOBSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)NCC(=O)N(C)C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573497582 946350885 /nfs/dbraw/zinc/35/08/85/946350885.db2.gz SPCDDVLZHZHNDJ-UHFFFAOYSA-N -1 1 378.462 0.195 20 0 GCADMM CCc1ccnc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1 ZINC001571304097 946358778 /nfs/dbraw/zinc/35/87/78/946358778.db2.gz XTVDLAVXFZCZPL-ZSOGYDGISA-N -1 1 391.439 0.726 20 0 GCADMM CCc1ccnc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1 ZINC001571304097 946358785 /nfs/dbraw/zinc/35/87/85/946358785.db2.gz XTVDLAVXFZCZPL-ZSOGYDGISA-N -1 1 391.439 0.726 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573498948 946363757 /nfs/dbraw/zinc/36/37/57/946363757.db2.gz BKACUFBKSSPZNI-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1C ZINC001573498948 946363769 /nfs/dbraw/zinc/36/37/69/946363769.db2.gz BKACUFBKSSPZNI-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2O)s1 ZINC001571305433 946365257 /nfs/dbraw/zinc/36/52/57/946365257.db2.gz BCCKHKZYGOSXFG-ZJUUUORDSA-N -1 1 391.482 0.981 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001573498962 946366998 /nfs/dbraw/zinc/36/69/98/946366998.db2.gz BQLQRXJBBJQECE-SNVBAGLBSA-N -1 1 378.462 0.417 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001573498961 946367538 /nfs/dbraw/zinc/36/75/38/946367538.db2.gz BQLQRXJBBJQECE-JTQLQIEISA-N -1 1 378.462 0.417 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305900 946379278 /nfs/dbraw/zinc/37/92/78/946379278.db2.gz CYVGHNFSHFESTF-VLEAKVRGSA-N -1 1 391.457 0.747 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573502090 946384013 /nfs/dbraw/zinc/38/40/13/946384013.db2.gz VAHVVXQXESUUEI-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573502090 946384023 /nfs/dbraw/zinc/38/40/23/946384023.db2.gz VAHVVXQXESUUEI-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001571306029 946384169 /nfs/dbraw/zinc/38/41/69/946384169.db2.gz OCTOIRQVWIWIPL-VROVMSAKSA-N -1 1 391.848 0.493 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001571306029 946384176 /nfs/dbraw/zinc/38/41/76/946384176.db2.gz OCTOIRQVWIWIPL-VROVMSAKSA-N -1 1 391.848 0.493 20 0 GCADMM Cc1cscc1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O ZINC001571306053 946386231 /nfs/dbraw/zinc/38/62/31/946386231.db2.gz OPEQWGRETVPDPW-GHMZBOCLSA-N -1 1 391.482 0.981 20 0 GCADMM C[C@H]1CN(C(=O)c2scnc2Cl)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571306082 946389230 /nfs/dbraw/zinc/38/92/30/946389230.db2.gz PDISTEMRJYSYIZ-YUMQZZPRSA-N -1 1 391.848 0.761 20 0 GCADMM C[C@@H]1[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCS1(=O)=O ZINC001571306191 946390122 /nfs/dbraw/zinc/39/01/22/946390122.db2.gz QPSCXEMQYQRAHS-VXNVDRBHSA-N -1 1 391.862 0.374 20 0 GCADMM C[C@@H]1[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCS1(=O)=O ZINC001571306191 946390131 /nfs/dbraw/zinc/39/01/31/946390131.db2.gz QPSCXEMQYQRAHS-VXNVDRBHSA-N -1 1 391.862 0.374 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503670 946395362 /nfs/dbraw/zinc/39/53/62/946395362.db2.gz BQTOPHVEQZHZOK-BXKDBHETSA-N -1 1 392.489 0.664 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573504810 946415222 /nfs/dbraw/zinc/41/52/22/946415222.db2.gz KPOPGSOSUIKFNW-QMMMGPOBSA-N -1 1 384.853 0.373 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571307044 946416300 /nfs/dbraw/zinc/41/63/00/946416300.db2.gz UYQKKZPPBGGPGH-WDEREUQCSA-N -1 1 391.457 0.479 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571307041 946416705 /nfs/dbraw/zinc/41/67/05/946416705.db2.gz UYQKKZPPBGGPGH-GHMZBOCLSA-N -1 1 391.457 0.479 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573506051 946428038 /nfs/dbraw/zinc/42/80/38/946428038.db2.gz ORSQWEXCIKCZLO-LBPRGKRZSA-N -1 1 392.489 0.808 20 0 GCADMM CC(=O)NCC(=O)N1CCC([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573506284 946430505 /nfs/dbraw/zinc/43/05/05/946430505.db2.gz QGTNDLWEGGCTDH-LLVKDONJSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573506284 946430514 /nfs/dbraw/zinc/43/05/14/946430514.db2.gz QGTNDLWEGGCTDH-LLVKDONJSA-N -1 1 387.448 0.140 20 0 GCADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccc(C(F)F)o1 ZINC001571308255 946431684 /nfs/dbraw/zinc/43/16/84/946431684.db2.gz NKVUKJQBIJCJMP-SFYZADRCSA-N -1 1 392.326 0.167 20 0 GCADMM CS(=O)(=O)c1ccc(F)c(NC(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001571308599 946435057 /nfs/dbraw/zinc/43/50/57/946435057.db2.gz SBSIQYXMFOJWLP-UHFFFAOYSA-N -1 1 392.372 0.210 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573506458 946435288 /nfs/dbraw/zinc/43/52/88/946435288.db2.gz SMPOQTHXMJFXFP-MRVPVSSYSA-N -1 1 384.853 0.373 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573506458 946435296 /nfs/dbraw/zinc/43/52/96/946435296.db2.gz SMPOQTHXMJFXFP-MRVPVSSYSA-N -1 1 384.853 0.373 20 0 GCADMM O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571308756 946436380 /nfs/dbraw/zinc/43/63/80/946436380.db2.gz SQIIZHHCPMKSMG-ONGXEEELSA-N -1 1 392.363 0.791 20 0 GCADMM O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571308756 946436384 /nfs/dbraw/zinc/43/63/84/946436384.db2.gz SQIIZHHCPMKSMG-ONGXEEELSA-N -1 1 392.363 0.791 20 0 GCADMM CS(=O)(=O)CC(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571309073 946440387 /nfs/dbraw/zinc/44/03/87/946440387.db2.gz WPALONUYTNCGOJ-ZCFIWIBFSA-N -1 1 391.866 0.034 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@H]1C ZINC001573507035 946440654 /nfs/dbraw/zinc/44/06/54/946440654.db2.gz UNMXKMXRHLAUKM-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM O=C(C[C@@H]1OCc2ccccc21)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571309575 946449293 /nfs/dbraw/zinc/44/92/93/946449293.db2.gz DPDZAAWHNMDJEH-INIZCTEOSA-N -1 1 392.423 0.967 20 0 GCADMM O=C(C[C@@H]1OCc2ccccc21)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571309575 946449298 /nfs/dbraw/zinc/44/92/98/946449298.db2.gz DPDZAAWHNMDJEH-INIZCTEOSA-N -1 1 392.423 0.967 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)cc1 ZINC001571309843 946455478 /nfs/dbraw/zinc/45/54/78/946455478.db2.gz MIXVPLGUXJSGCN-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)cc1 ZINC001571309843 946455488 /nfs/dbraw/zinc/45/54/88/946455488.db2.gz MIXVPLGUXJSGCN-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573508243 946455754 /nfs/dbraw/zinc/45/57/54/946455754.db2.gz YTHAPGMDKGBITK-SKDRFNHKSA-N -1 1 392.489 0.807 20 0 GCADMM Cc1cccc2c1O[C@@H](C(=O)N1CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C1)C2 ZINC001571309902 946457488 /nfs/dbraw/zinc/45/74/88/946457488.db2.gz PCGZPNWSMXYAEC-UKRRQHHQSA-N -1 1 392.423 0.982 20 0 GCADMM Cc1cccc2c1O[C@@H](C(=O)N1CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C1)C2 ZINC001571309902 946457492 /nfs/dbraw/zinc/45/74/92/946457492.db2.gz PCGZPNWSMXYAEC-UKRRQHHQSA-N -1 1 392.423 0.982 20 0 GCADMM O=C([C@H]1COc2ccccc2C1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571309972 946459856 /nfs/dbraw/zinc/45/98/56/946459856.db2.gz QVARQLVLEBZFEJ-KGLIPLIRSA-N -1 1 392.423 0.921 20 0 GCADMM O=C([C@H]1COc2ccccc2C1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571309972 946459863 /nfs/dbraw/zinc/45/98/63/946459863.db2.gz QVARQLVLEBZFEJ-KGLIPLIRSA-N -1 1 392.423 0.921 20 0 GCADMM O=C(C[C@@H]1Cc2ccccc2O1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310088 946461865 /nfs/dbraw/zinc/46/18/65/946461865.db2.gz UXUYAMSGCWYGJS-KBPBESRZSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(C[C@@H]1Cc2ccccc2O1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310088 946461871 /nfs/dbraw/zinc/46/18/71/946461871.db2.gz UXUYAMSGCWYGJS-KBPBESRZSA-N -1 1 392.423 0.745 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)cc1 ZINC001571310187 946464481 /nfs/dbraw/zinc/46/44/81/946464481.db2.gz XSZMQIVEYLJJTK-GOEBONIOSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)cc1 ZINC001571310187 946464487 /nfs/dbraw/zinc/46/44/87/946464487.db2.gz XSZMQIVEYLJJTK-GOEBONIOSA-N -1 1 392.423 0.669 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)c1ccccc1O ZINC001571310259 946465566 /nfs/dbraw/zinc/46/55/66/946465566.db2.gz ZVULYLIOHMGTOW-KGLIPLIRSA-N -1 1 392.423 0.937 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573509774 946466089 /nfs/dbraw/zinc/46/60/89/946466089.db2.gz QXUWULIETSTIMX-LLVKDONJSA-N -1 1 378.462 0.561 20 0 GCADMM Cc1nsc(NCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571310562 946476259 /nfs/dbraw/zinc/47/62/59/946476259.db2.gz JADDOUGHDPCEGY-SNVBAGLBSA-N -1 1 392.445 0.391 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573510669 946479556 /nfs/dbraw/zinc/47/95/56/946479556.db2.gz JDRHNLVGXSNCCV-QMMMGPOBSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573510777 946481669 /nfs/dbraw/zinc/48/16/69/946481669.db2.gz KVLQAKJWBNPDTR-NKWVEPMBSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573510777 946481674 /nfs/dbraw/zinc/48/16/74/946481674.db2.gz KVLQAKJWBNPDTR-NKWVEPMBSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CCCC1 ZINC001573511135 946482978 /nfs/dbraw/zinc/48/29/78/946482978.db2.gz NDLSGTFJPCTJQC-GFCCVEGCSA-N -1 1 392.489 0.855 20 0 GCADMM CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001571311245 946485241 /nfs/dbraw/zinc/48/52/41/946485241.db2.gz UOHOBWWBLNVFHI-DTORHVGOSA-N -1 1 392.466 0.966 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cncnc1C1CC1 ZINC001571312382 946489516 /nfs/dbraw/zinc/48/95/16/946489516.db2.gz BFDDUVVQXNSVQX-ZWNOBZJWSA-N -1 1 392.427 0.579 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cncnc1C1CC1 ZINC001571312382 946489524 /nfs/dbraw/zinc/48/95/24/946489524.db2.gz BFDDUVVQXNSVQX-ZWNOBZJWSA-N -1 1 392.427 0.579 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573511835 946492193 /nfs/dbraw/zinc/49/21/93/946492193.db2.gz SSCJXFOIWCSQBY-BXKDBHETSA-N -1 1 392.489 0.664 20 0 GCADMM Cc1nccc(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)n1 ZINC001571312596 946495696 /nfs/dbraw/zinc/49/56/96/946495696.db2.gz IFJKRHYKWPTHJA-OLZOCXBDSA-N -1 1 392.427 0.354 20 0 GCADMM O=C(c1cccc2c1OCC2)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571312641 946499087 /nfs/dbraw/zinc/49/90/87/946499087.db2.gz JMEJZCNLKQPBRN-ZDUSSCGKSA-N -1 1 392.423 0.730 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571312760 946499978 /nfs/dbraw/zinc/49/99/78/946499978.db2.gz JUQRJNAWRFNHNM-CQSZACIVSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571312760 946499991 /nfs/dbraw/zinc/49/99/91/946499991.db2.gz JUQRJNAWRFNHNM-CQSZACIVSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)nn1 ZINC001571313077 946509407 /nfs/dbraw/zinc/50/94/07/946509407.db2.gz NAURFCLNGCIWDA-SWLSCSKDSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)nn1 ZINC001571313077 946509415 /nfs/dbraw/zinc/50/94/15/946509415.db2.gz NAURFCLNGCIWDA-SWLSCSKDSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2cnccn2)n1 ZINC001571313056 946510534 /nfs/dbraw/zinc/51/05/34/946510534.db2.gz MODIPSCOAYZNFH-GJZGRUSLSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2cnccn2)n1 ZINC001571313056 946510544 /nfs/dbraw/zinc/51/05/44/946510544.db2.gz MODIPSCOAYZNFH-GJZGRUSLSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nnccc1C(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571313075 946510635 /nfs/dbraw/zinc/51/06/35/946510635.db2.gz NADWVHNQTXYPRK-KSSFIOAISA-N -1 1 392.427 0.687 20 0 GCADMM Cc1nnccc1C(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571313075 946510642 /nfs/dbraw/zinc/51/06/42/946510642.db2.gz NADWVHNQTXYPRK-KSSFIOAISA-N -1 1 392.427 0.687 20 0 GCADMM Cc1nnccc1C(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571313076 946511459 /nfs/dbraw/zinc/51/14/59/946511459.db2.gz NADWVHNQTXYPRK-RDTXWAMCSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1nnccc1C(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571313076 946511470 /nfs/dbraw/zinc/51/14/70/946511470.db2.gz NADWVHNQTXYPRK-RDTXWAMCSA-N -1 1 392.427 0.687 20 0 GCADMM O=C(c1cn[nH]c1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571313120 946512136 /nfs/dbraw/zinc/51/21/36/946512136.db2.gz OJWLDVHFGHZSCF-GHYVTOPFSA-N -1 1 392.427 0.367 20 0 GCADMM O=C(c1cn[nH]c1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571313120 946512145 /nfs/dbraw/zinc/51/21/45/946512145.db2.gz OJWLDVHFGHZSCF-GHYVTOPFSA-N -1 1 392.427 0.367 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571313152 946513663 /nfs/dbraw/zinc/51/36/63/946513663.db2.gz OXRITHOKJYGKRZ-UONOGXRCSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571313152 946513668 /nfs/dbraw/zinc/51/36/68/946513668.db2.gz OXRITHOKJYGKRZ-UONOGXRCSA-N -1 1 392.427 0.639 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC[C@H]1C ZINC001573514139 946520979 /nfs/dbraw/zinc/52/09/79/946520979.db2.gz SQVLWRGTKKVZIS-DIFFPNOSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC[C@H]1C ZINC001573514139 946520990 /nfs/dbraw/zinc/52/09/90/946520990.db2.gz SQVLWRGTKKVZIS-DIFFPNOSSA-N -1 1 387.448 0.270 20 0 GCADMM CCc1nnc(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571313448 946522925 /nfs/dbraw/zinc/52/29/25/946522925.db2.gz RGWYKXLMBJHLBG-ATCWAGBWSA-N -1 1 392.427 0.182 20 0 GCADMM CCc1nnc(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571313448 946522935 /nfs/dbraw/zinc/52/29/35/946522935.db2.gz RGWYKXLMBJHLBG-ATCWAGBWSA-N -1 1 392.427 0.182 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1ncccn1 ZINC001571313584 946524834 /nfs/dbraw/zinc/52/48/34/946524834.db2.gz SEGSYQRARFWOKZ-FZKQIMNGSA-N -1 1 392.427 0.626 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1ncccn1 ZINC001571313584 946524841 /nfs/dbraw/zinc/52/48/41/946524841.db2.gz SEGSYQRARFWOKZ-FZKQIMNGSA-N -1 1 392.427 0.626 20 0 GCADMM C[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571313557 946525450 /nfs/dbraw/zinc/52/54/50/946525450.db2.gz ROQHBDHTSZGSCE-MFKMUULPSA-N -1 1 392.427 0.319 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC001571313573 946525640 /nfs/dbraw/zinc/52/56/40/946525640.db2.gz RYMCFDWDJGUKDD-WFASDCNBSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC001571313573 946525657 /nfs/dbraw/zinc/52/56/57/946525657.db2.gz RYMCFDWDJGUKDD-WFASDCNBSA-N -1 1 392.427 0.578 20 0 GCADMM Cc1ccnc(C(=O)N[C@]23CCC[C@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571313568 946526070 /nfs/dbraw/zinc/52/60/70/946526070.db2.gz RWCASGVSUXDVSQ-XIKOKIGWSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1ccnc(C(=O)N[C@]23CCC[C@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571313568 946526072 /nfs/dbraw/zinc/52/60/72/946526072.db2.gz RWCASGVSUXDVSQ-XIKOKIGWSA-N -1 1 392.427 0.687 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCOc2ccccc21 ZINC001571313580 946526176 /nfs/dbraw/zinc/52/61/76/946526176.db2.gz SCEXITRODKEMTN-MBNYWOFBSA-N -1 1 392.423 0.704 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571313628 946527420 /nfs/dbraw/zinc/52/74/20/946527420.db2.gz UZEAWEVEAGWVLU-TZMCWYRMSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571313628 946527426 /nfs/dbraw/zinc/52/74/26/946527426.db2.gz UZEAWEVEAGWVLU-TZMCWYRMSA-N -1 1 392.427 0.496 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)[C@@H]1C[C@H]1c1ccccc1 ZINC001571313975 946537199 /nfs/dbraw/zinc/53/71/99/946537199.db2.gz YMRSTZQTVIKMMZ-YJNKXOJESA-N -1 1 392.423 0.126 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)[C@@H]1C[C@H]1c1ccccc1 ZINC001571313975 946537209 /nfs/dbraw/zinc/53/72/09/946537209.db2.gz YMRSTZQTVIKMMZ-YJNKXOJESA-N -1 1 392.423 0.126 20 0 GCADMM O=C(c1cnc(C2CC2)nc1)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571313956 946537503 /nfs/dbraw/zinc/53/75/03/946537503.db2.gz YFDHWECOPBBZKF-UHFFFAOYSA-N -1 1 392.427 0.677 20 0 GCADMM O=C(c1cnc(C2CC2)nc1)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571313956 946537514 /nfs/dbraw/zinc/53/75/14/946537514.db2.gz YFDHWECOPBBZKF-UHFFFAOYSA-N -1 1 392.427 0.677 20 0 GCADMM C[C@]1(NC(=O)c2cnc(C3CC3)nc2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571313909 946538188 /nfs/dbraw/zinc/53/81/88/946538188.db2.gz XHJQTRBWVSZTIT-SFHVURJKSA-N -1 1 392.427 0.723 20 0 GCADMM C[C@]1(NC(=O)c2cnc(C3CC3)nc2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571313909 946538198 /nfs/dbraw/zinc/53/81/98/946538198.db2.gz XHJQTRBWVSZTIT-SFHVURJKSA-N -1 1 392.427 0.723 20 0 GCADMM Cc1nsc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1-c1nnn[n-]1 ZINC001571314042 946539615 /nfs/dbraw/zinc/53/96/15/946539615.db2.gz ZYIHNOODBWUUDC-UHFFFAOYSA-N -1 1 392.426 0.068 20 0 GCADMM Cc1nsc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1-c1nn[n-]n1 ZINC001571314042 946539622 /nfs/dbraw/zinc/53/96/22/946539622.db2.gz ZYIHNOODBWUUDC-UHFFFAOYSA-N -1 1 392.426 0.068 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573515335 946542416 /nfs/dbraw/zinc/54/24/16/946542416.db2.gz KZVCIPZAFOOLLJ-ONGXEEELSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573518028 946584029 /nfs/dbraw/zinc/58/40/29/946584029.db2.gz WIJKETIOYFCCHA-MRVPVSSYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573518028 946584041 /nfs/dbraw/zinc/58/40/41/946584041.db2.gz WIJKETIOYFCCHA-MRVPVSSYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NCC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573520095 946592778 /nfs/dbraw/zinc/59/27/78/946592778.db2.gz CQHJZKSIQPINAR-LLVKDONJSA-N -1 1 380.478 0.711 20 0 GCADMM CC(C)(C)OC(=O)c1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000824114112 946594230 /nfs/dbraw/zinc/59/42/30/946594230.db2.gz JDIRNBOMQGAQLV-UHFFFAOYSA-N -1 1 384.400 0.730 20 0 GCADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1cscc1Cl ZINC001571317584 946613926 /nfs/dbraw/zinc/61/39/26/946613926.db2.gz NNGKQQYWXKPXFA-NXEZZACHSA-N -1 1 392.832 0.351 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573522840 946630668 /nfs/dbraw/zinc/63/06/68/946630668.db2.gz KWZSIJCOZWVKDP-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573522840 946630673 /nfs/dbraw/zinc/63/06/73/946630673.db2.gz KWZSIJCOZWVKDP-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573523397 946634577 /nfs/dbraw/zinc/63/45/77/946634577.db2.gz QZDFPWDIUKZLAI-JTQLQIEISA-N -1 1 389.464 0.434 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573523397 946634582 /nfs/dbraw/zinc/63/45/82/946634582.db2.gz QZDFPWDIUKZLAI-JTQLQIEISA-N -1 1 389.464 0.434 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573523647 946636484 /nfs/dbraw/zinc/63/64/84/946636484.db2.gz UADJUUADQWWDQD-UHFFFAOYSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573523647 946636487 /nfs/dbraw/zinc/63/64/87/946636487.db2.gz UADJUUADQWWDQD-UHFFFAOYSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573523861 946638872 /nfs/dbraw/zinc/63/88/72/946638872.db2.gz XRLPYPOUEYQWIA-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573523861 946638880 /nfs/dbraw/zinc/63/88/80/946638880.db2.gz XRLPYPOUEYQWIA-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573523868 946639309 /nfs/dbraw/zinc/63/93/09/946639309.db2.gz XRLPYPOUEYQWIA-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573523868 946639313 /nfs/dbraw/zinc/63/93/13/946639313.db2.gz XRLPYPOUEYQWIA-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001573523974 946640915 /nfs/dbraw/zinc/64/09/15/946640915.db2.gz YVZPLBBDSZROGK-LLVKDONJSA-N -1 1 389.464 0.516 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001573523974 946640925 /nfs/dbraw/zinc/64/09/25/946640925.db2.gz YVZPLBBDSZROGK-LLVKDONJSA-N -1 1 389.464 0.516 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573528106 946656872 /nfs/dbraw/zinc/65/68/72/946656872.db2.gz UUIPXPCHTJIIFS-MRVPVSSYSA-N -1 1 380.478 0.711 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573528138 946656890 /nfs/dbraw/zinc/65/68/90/946656890.db2.gz VUADOZFNSGAVKR-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573528138 946656897 /nfs/dbraw/zinc/65/68/97/946656897.db2.gz VUADOZFNSGAVKR-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001573529074 946669160 /nfs/dbraw/zinc/66/91/60/946669160.db2.gz JEPFQAOPRRVCKI-GFCCVEGCSA-N -1 1 385.432 0.353 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573535430 946721233 /nfs/dbraw/zinc/72/12/33/946721233.db2.gz GHQBVVBOIBRYKE-LALPHHSUSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573535430 946721239 /nfs/dbraw/zinc/72/12/39/946721239.db2.gz GHQBVVBOIBRYKE-LALPHHSUSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573535806 946724136 /nfs/dbraw/zinc/72/41/36/946724136.db2.gz JONNSWLOQFXNDJ-BXUZGUMPSA-N -1 1 389.464 0.067 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573535806 946724145 /nfs/dbraw/zinc/72/41/45/946724145.db2.gz JONNSWLOQFXNDJ-BXUZGUMPSA-N -1 1 389.464 0.067 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)C ZINC001573535984 946726541 /nfs/dbraw/zinc/72/65/41/946726541.db2.gz MVCWCJAKSPSOLI-IUODEOHRSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)C ZINC001573535984 946726553 /nfs/dbraw/zinc/72/65/53/946726553.db2.gz MVCWCJAKSPSOLI-IUODEOHRSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)C ZINC001573535947 946726712 /nfs/dbraw/zinc/72/67/12/946726712.db2.gz LRTSJRXVUJNKCN-DZGCQCFKSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)C ZINC001573535947 946726722 /nfs/dbraw/zinc/72/67/22/946726722.db2.gz LRTSJRXVUJNKCN-DZGCQCFKSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573536133 946729575 /nfs/dbraw/zinc/72/95/75/946729575.db2.gz PRNPHZDWDANUGL-PRHODGIISA-N -1 1 380.478 0.709 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573536129 946730350 /nfs/dbraw/zinc/73/03/50/946730350.db2.gz PMNYZIBIJXNPMF-ZWNOBZJWSA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573536129 946730358 /nfs/dbraw/zinc/73/03/58/946730358.db2.gz PMNYZIBIJXNPMF-ZWNOBZJWSA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573536305 946733558 /nfs/dbraw/zinc/73/35/58/946733558.db2.gz SNIBEEYFKRLCEZ-IINYFYTJSA-N -1 1 389.464 0.290 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573536305 946733569 /nfs/dbraw/zinc/73/35/69/946733569.db2.gz SNIBEEYFKRLCEZ-IINYFYTJSA-N -1 1 389.464 0.290 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573536382 946734788 /nfs/dbraw/zinc/73/47/88/946734788.db2.gz VHCKKVMTARQIAH-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573536382 946734796 /nfs/dbraw/zinc/73/47/96/946734796.db2.gz VHCKKVMTARQIAH-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573536414 946736369 /nfs/dbraw/zinc/73/63/69/946736369.db2.gz WONFRTIPRUPZJE-YRGRVCCFSA-N -1 1 387.448 0.185 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536414 946736392 /nfs/dbraw/zinc/73/63/92/946736392.db2.gz WONFRTIPRUPZJE-YRGRVCCFSA-N -1 1 387.448 0.185 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573536643 946738716 /nfs/dbraw/zinc/73/87/16/946738716.db2.gz ZVZGOQQAZPPIQG-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573536643 946738731 /nfs/dbraw/zinc/73/87/31/946738731.db2.gz ZVZGOQQAZPPIQG-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573537097 946742224 /nfs/dbraw/zinc/74/22/24/946742224.db2.gz HFLYMRRMQGWZOR-IINYFYTJSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573537097 946742228 /nfs/dbraw/zinc/74/22/28/946742228.db2.gz HFLYMRRMQGWZOR-IINYFYTJSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)C ZINC001573537339 946744484 /nfs/dbraw/zinc/74/44/84/946744484.db2.gz KMTZIZUKDNXVGX-IUODEOHRSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)C ZINC001573537339 946744491 /nfs/dbraw/zinc/74/44/91/946744491.db2.gz KMTZIZUKDNXVGX-IUODEOHRSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573537115 946745286 /nfs/dbraw/zinc/74/52/86/946745286.db2.gz HUJOHSQTTWVDBR-IUODEOHRSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573537115 946745292 /nfs/dbraw/zinc/74/52/92/946745292.db2.gz HUJOHSQTTWVDBR-IUODEOHRSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)C ZINC001573537114 946745791 /nfs/dbraw/zinc/74/57/91/946745791.db2.gz HTZGWMFVVPQMGT-SWLSCSKDSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)C ZINC001573537114 946745798 /nfs/dbraw/zinc/74/57/98/946745798.db2.gz HTZGWMFVVPQMGT-SWLSCSKDSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573537358 946746805 /nfs/dbraw/zinc/74/68/05/946746805.db2.gz KYSZBYLINBAPFS-SWLSCSKDSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573537358 946746812 /nfs/dbraw/zinc/74/68/12/946746812.db2.gz KYSZBYLINBAPFS-SWLSCSKDSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573537394 946747983 /nfs/dbraw/zinc/74/79/83/946747983.db2.gz MYIUMCJSLDMSSR-SWLSCSKDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537394 946747990 /nfs/dbraw/zinc/74/79/90/946747990.db2.gz MYIUMCJSLDMSSR-SWLSCSKDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573537425 946748292 /nfs/dbraw/zinc/74/82/92/946748292.db2.gz AKIJBJKLYKLBNF-STQMWFEESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573537425 946748299 /nfs/dbraw/zinc/74/82/99/946748299.db2.gz AKIJBJKLYKLBNF-STQMWFEESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573537602 946752722 /nfs/dbraw/zinc/75/27/22/946752722.db2.gz GJBOWLMLAPXLDF-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573537602 946752730 /nfs/dbraw/zinc/75/27/30/946752730.db2.gz GJBOWLMLAPXLDF-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573537727 946757662 /nfs/dbraw/zinc/75/76/62/946757662.db2.gz RIBORAYJURMTJQ-SMDDNHRTSA-N -1 1 389.464 0.067 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573537727 946757672 /nfs/dbraw/zinc/75/76/72/946757672.db2.gz RIBORAYJURMTJQ-SMDDNHRTSA-N -1 1 389.464 0.067 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573537902 946760435 /nfs/dbraw/zinc/76/04/35/946760435.db2.gz MRBDERCAKPHBOC-LBPRGKRZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573537902 946760445 /nfs/dbraw/zinc/76/04/45/946760445.db2.gz MRBDERCAKPHBOC-LBPRGKRZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCNc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573538059 946762514 /nfs/dbraw/zinc/76/25/14/946762514.db2.gz VHBPXPDTXFFBRM-GFCCVEGCSA-N -1 1 380.478 0.663 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573538172 946763947 /nfs/dbraw/zinc/76/39/47/946763947.db2.gz PAWNJIYYEXXPJM-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573538172 946763957 /nfs/dbraw/zinc/76/39/57/946763957.db2.gz PAWNJIYYEXXPJM-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573538232 946765787 /nfs/dbraw/zinc/76/57/87/946765787.db2.gz QKKLMQWUIQUECK-STQMWFEESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573538232 946765799 /nfs/dbraw/zinc/76/57/99/946765799.db2.gz QKKLMQWUIQUECK-STQMWFEESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573538512 946767118 /nfs/dbraw/zinc/76/71/18/946767118.db2.gz VKOIFJSXWOVHTO-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573538512 946767129 /nfs/dbraw/zinc/76/71/29/946767129.db2.gz VKOIFJSXWOVHTO-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573540438 946775498 /nfs/dbraw/zinc/77/54/98/946775498.db2.gz DTJKWDZWMNWMBE-ZWNOBZJWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573540438 946775502 /nfs/dbraw/zinc/77/55/02/946775502.db2.gz DTJKWDZWMNWMBE-ZWNOBZJWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573540885 946781724 /nfs/dbraw/zinc/78/17/24/946781724.db2.gz JYEGVNUQTZZKPS-SMDDNHRTSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573540885 946781730 /nfs/dbraw/zinc/78/17/30/946781730.db2.gz JYEGVNUQTZZKPS-SMDDNHRTSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573541062 946783617 /nfs/dbraw/zinc/78/36/17/946783617.db2.gz NHUJKMVVMQDIJX-QMTHXVAHSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541062 946783629 /nfs/dbraw/zinc/78/36/29/946783629.db2.gz NHUJKMVVMQDIJX-QMTHXVAHSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573541172 946783869 /nfs/dbraw/zinc/78/38/69/946783869.db2.gz NLUJMETUDYLURM-WCQYABFASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573541172 946783876 /nfs/dbraw/zinc/78/38/76/946783876.db2.gz NLUJMETUDYLURM-WCQYABFASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573541667 946788480 /nfs/dbraw/zinc/78/84/80/946788480.db2.gz VRNVHFFZCDPQAD-WCQYABFASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573541881 946791117 /nfs/dbraw/zinc/79/11/17/946791117.db2.gz WOWGDKLXIMFAFB-CYBMUJFWSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001573547068 946827165 /nfs/dbraw/zinc/82/71/65/946827165.db2.gz GJGGJYHSLRGFBF-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001573547068 946827177 /nfs/dbraw/zinc/82/71/77/946827177.db2.gz GJGGJYHSLRGFBF-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573548342 946849438 /nfs/dbraw/zinc/84/94/38/946849438.db2.gz JBTMTPBSCGMMQN-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573548342 946849446 /nfs/dbraw/zinc/84/94/46/946849446.db2.gz JBTMTPBSCGMMQN-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1cccc2c1CN(C(=O)NCCn1cnc(-c3nn[n-]n3)n1)CC2 ZINC001573548321 946849871 /nfs/dbraw/zinc/84/98/71/946849871.db2.gz INNFETOHECFXOF-UHFFFAOYSA-N -1 1 396.415 0.185 20 0 GCADMM CC(=O)Nc1nc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001573548835 946859876 /nfs/dbraw/zinc/85/98/76/946859876.db2.gz VTMDZMTWDRRISY-SSDOTTSWSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001573548835 946859886 /nfs/dbraw/zinc/85/98/86/946859886.db2.gz VTMDZMTWDRRISY-SSDOTTSWSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573548982 946860738 /nfs/dbraw/zinc/86/07/38/946860738.db2.gz ZOWSVSJOXAVRAS-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573548982 946860749 /nfs/dbraw/zinc/86/07/49/946860749.db2.gz ZOWSVSJOXAVRAS-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)c1ccc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001573555989 946922739 /nfs/dbraw/zinc/92/27/39/946922739.db2.gz LGEARFCIVHRPPB-UHFFFAOYSA-N -1 1 384.356 0.153 20 0 GCADMM CC(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)cc1 ZINC001573556574 946929664 /nfs/dbraw/zinc/92/96/64/946929664.db2.gz SKOILLWNGJUOMG-UHFFFAOYSA-N -1 1 382.384 0.881 20 0 GCADMM CC(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)cc1 ZINC001573556574 946929669 /nfs/dbraw/zinc/92/96/69/946929669.db2.gz SKOILLWNGJUOMG-UHFFFAOYSA-N -1 1 382.384 0.881 20 0 GCADMM CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824807582 946940025 /nfs/dbraw/zinc/94/00/25/946940025.db2.gz JLJBOAKNJRPQEO-UHFFFAOYSA-N -1 1 391.457 0.283 20 0 GCADMM CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824807582 946940032 /nfs/dbraw/zinc/94/00/32/946940032.db2.gz JLJBOAKNJRPQEO-UHFFFAOYSA-N -1 1 391.457 0.283 20 0 GCADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825206074 947118745 /nfs/dbraw/zinc/11/87/45/947118745.db2.gz YWRWXAVRAOSSOO-QWHCGFSZSA-N -1 1 375.433 0.954 20 0 GCADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825206074 947118754 /nfs/dbraw/zinc/11/87/54/947118754.db2.gz YWRWXAVRAOSSOO-QWHCGFSZSA-N -1 1 375.433 0.954 20 0 GCADMM CCCCNC(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825284975 947143273 /nfs/dbraw/zinc/14/32/73/947143273.db2.gz FSBPAHGIQKGJAP-LLVKDONJSA-N -1 1 379.446 0.523 20 0 GCADMM CCCCNC(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825284975 947143280 /nfs/dbraw/zinc/14/32/80/947143280.db2.gz FSBPAHGIQKGJAP-LLVKDONJSA-N -1 1 379.446 0.523 20 0 GCADMM CCCS(=O)(=O)NC1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825341595 947159280 /nfs/dbraw/zinc/15/92/80/947159280.db2.gz FTLUEFYKMLUWEU-UHFFFAOYSA-N -1 1 397.461 0.026 20 0 GCADMM CCCS(=O)(=O)NC1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825341595 947159287 /nfs/dbraw/zinc/15/92/87/947159287.db2.gz FTLUEFYKMLUWEU-UHFFFAOYSA-N -1 1 397.461 0.026 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NCc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000825565592 947224411 /nfs/dbraw/zinc/22/44/11/947224411.db2.gz WEKFUTWIOFJYGD-UHFFFAOYSA-N -1 1 385.384 0.565 20 0 GCADMM CCOC(=O)c1cnn(Cc2cc(=O)n3c(C)csc3n2)c1-c1nn[n-]n1 ZINC000825570536 947229844 /nfs/dbraw/zinc/22/98/44/947229844.db2.gz KWSSRNZZVKALHW-UHFFFAOYSA-N -1 1 386.397 0.666 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573591384 947310251 /nfs/dbraw/zinc/31/02/51/947310251.db2.gz BBJPZFQWNLPHFD-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573591498 947314275 /nfs/dbraw/zinc/31/42/75/947314275.db2.gz BXZINDIDAHLNFX-GWCFXTLKSA-N -1 1 389.485 0.486 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573591565 947315467 /nfs/dbraw/zinc/31/54/67/947315467.db2.gz DAFUMYMKSIFCLW-NEPJUHHUSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573591565 947315483 /nfs/dbraw/zinc/31/54/83/947315483.db2.gz DAFUMYMKSIFCLW-NEPJUHHUSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573591753 947318734 /nfs/dbraw/zinc/31/87/34/947318734.db2.gz FFJVXFOTVSTMSU-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573591753 947318747 /nfs/dbraw/zinc/31/87/47/947318747.db2.gz FFJVXFOTVSTMSU-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573591752 947320051 /nfs/dbraw/zinc/32/00/51/947320051.db2.gz FFJVXFOTVSTMSU-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573591752 947320066 /nfs/dbraw/zinc/32/00/66/947320066.db2.gz FFJVXFOTVSTMSU-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(CC(F)(F)F)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573592117 947328686 /nfs/dbraw/zinc/32/86/86/947328686.db2.gz ABIZGZYCXOSNMK-VIFPVBQESA-N -1 1 387.370 0.504 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573592342 947336010 /nfs/dbraw/zinc/33/60/10/947336010.db2.gz JMCJLUVBEXVNPL-BDAKNGLRSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573592342 947336021 /nfs/dbraw/zinc/33/60/21/947336021.db2.gz JMCJLUVBEXVNPL-BDAKNGLRSA-N -1 1 388.354 0.111 20 0 GCADMM CCn1nccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825807071 947337845 /nfs/dbraw/zinc/33/78/45/947337845.db2.gz MNXUSIUXHJVHGJ-NSHDSACASA-N -1 1 383.420 0.616 20 0 GCADMM CCn1nccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825807071 947337854 /nfs/dbraw/zinc/33/78/54/947337854.db2.gz MNXUSIUXHJVHGJ-NSHDSACASA-N -1 1 383.420 0.616 20 0 GCADMM C[C@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573592682 947345348 /nfs/dbraw/zinc/34/53/48/947345348.db2.gz FFBZKFSIHMZYPQ-PKSQDBQZSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573592682 947345358 /nfs/dbraw/zinc/34/53/58/947345358.db2.gz FFBZKFSIHMZYPQ-PKSQDBQZSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592966 947355758 /nfs/dbraw/zinc/35/57/58/947355758.db2.gz OUBFRZVDMFIULZ-NEPJUHHUSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592966 947355771 /nfs/dbraw/zinc/35/57/71/947355771.db2.gz OUBFRZVDMFIULZ-NEPJUHHUSA-N -1 1 386.416 0.309 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(Cn2cccn2)o1 ZINC000825934598 947374661 /nfs/dbraw/zinc/37/46/61/947374661.db2.gz OQUIXZXGRLJOLH-UHFFFAOYSA-N -1 1 396.415 0.715 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(Cn2cccn2)o1 ZINC000825934598 947374676 /nfs/dbraw/zinc/37/46/76/947374676.db2.gz OQUIXZXGRLJOLH-UHFFFAOYSA-N -1 1 396.415 0.715 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573593700 947376043 /nfs/dbraw/zinc/37/60/43/947376043.db2.gz UXIGYHBSROLJNB-VHSXEESVSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573593795 947381194 /nfs/dbraw/zinc/38/11/94/947381194.db2.gz VVMMCTIUXIKFIF-GXTWGEPZSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573593795 947381204 /nfs/dbraw/zinc/38/12/04/947381204.db2.gz VVMMCTIUXIKFIF-GXTWGEPZSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573593963 947382786 /nfs/dbraw/zinc/38/27/86/947382786.db2.gz WFNHUIMSZQWBFY-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573593963 947382798 /nfs/dbraw/zinc/38/27/98/947382798.db2.gz WFNHUIMSZQWBFY-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573594229 947389374 /nfs/dbraw/zinc/38/93/74/947389374.db2.gz PBOSLWDBTBRDQG-PWSUYJOCSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573594229 947389386 /nfs/dbraw/zinc/38/93/86/947389386.db2.gz PBOSLWDBTBRDQG-PWSUYJOCSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573594228 947389495 /nfs/dbraw/zinc/38/94/95/947389495.db2.gz PBOSLWDBTBRDQG-JQWIXIFHSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573594228 947389509 /nfs/dbraw/zinc/38/95/09/947389509.db2.gz PBOSLWDBTBRDQG-JQWIXIFHSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)n1cccn1 ZINC001573594483 947397011 /nfs/dbraw/zinc/39/70/11/947397011.db2.gz ZRYTZEYBZJWEOQ-SECBINFHSA-N -1 1 384.404 0.322 20 0 GCADMM C[C@@H](C(=O)N(C)CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)n1cccn1 ZINC001573594485 947399436 /nfs/dbraw/zinc/39/94/36/947399436.db2.gz ZRYTZEYBZJWEOQ-VIFPVBQESA-N -1 1 384.404 0.322 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573594656 947402647 /nfs/dbraw/zinc/40/26/47/947402647.db2.gz BWPKBPUKRUGUHH-DGCLKSJQSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573594656 947402654 /nfs/dbraw/zinc/40/26/54/947402654.db2.gz BWPKBPUKRUGUHH-DGCLKSJQSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001573594756 947405694 /nfs/dbraw/zinc/40/56/94/947405694.db2.gz RVNJZSXKQWTPMZ-BXUZGUMPSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573594756 947405699 /nfs/dbraw/zinc/40/56/99/947405699.db2.gz RVNJZSXKQWTPMZ-BXUZGUMPSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573594983 947413344 /nfs/dbraw/zinc/41/33/44/947413344.db2.gz VMAIEELUOZWUSY-QFWMXSHPSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573594983 947413349 /nfs/dbraw/zinc/41/33/49/947413349.db2.gz VMAIEELUOZWUSY-QFWMXSHPSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573595188 947417556 /nfs/dbraw/zinc/41/75/56/947417556.db2.gz GEDVSFPAHLUDSK-UWVGGRQHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573595188 947417557 /nfs/dbraw/zinc/41/75/57/947417557.db2.gz GEDVSFPAHLUDSK-UWVGGRQHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573595177 947417803 /nfs/dbraw/zinc/41/78/03/947417803.db2.gz GCKTXPPAWXZONL-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573596524 947430233 /nfs/dbraw/zinc/43/02/33/947430233.db2.gz KVSFGAWIZLALSA-WDEREUQCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573596524 947430242 /nfs/dbraw/zinc/43/02/42/947430242.db2.gz KVSFGAWIZLALSA-WDEREUQCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573597336 947437960 /nfs/dbraw/zinc/43/79/60/947437960.db2.gz NOIOBSUGTBFHIE-QWRGUYRKSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573597336 947437972 /nfs/dbraw/zinc/43/79/72/947437972.db2.gz NOIOBSUGTBFHIE-QWRGUYRKSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573598312 947442523 /nfs/dbraw/zinc/44/25/23/947442523.db2.gz QAKZFZCNSVUFCV-GHMZBOCLSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573598312 947442535 /nfs/dbraw/zinc/44/25/35/947442535.db2.gz QAKZFZCNSVUFCV-GHMZBOCLSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573599273 947452117 /nfs/dbraw/zinc/45/21/17/947452117.db2.gz WYQJHCHVJLGBBK-QWRGUYRKSA-N -1 1 391.436 0.487 20 0 GCADMM COC[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826153472 947483232 /nfs/dbraw/zinc/48/32/32/947483232.db2.gz OPGZUADYTOELDP-NSHDSACASA-N -1 1 390.448 0.642 20 0 GCADMM COC[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826153472 947483240 /nfs/dbraw/zinc/48/32/40/947483240.db2.gz OPGZUADYTOELDP-NSHDSACASA-N -1 1 390.448 0.642 20 0 GCADMM COC[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826153471 947483967 /nfs/dbraw/zinc/48/39/67/947483967.db2.gz OPGZUADYTOELDP-LLVKDONJSA-N -1 1 390.448 0.642 20 0 GCADMM COC[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826153471 947483969 /nfs/dbraw/zinc/48/39/69/947483969.db2.gz OPGZUADYTOELDP-LLVKDONJSA-N -1 1 390.448 0.642 20 0 GCADMM COCC[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826154861 947487685 /nfs/dbraw/zinc/48/76/85/947487685.db2.gz ZEKYTHLZWLCZCA-LLVKDONJSA-N -1 1 378.414 0.781 20 0 GCADMM COCC[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826154861 947487694 /nfs/dbraw/zinc/48/76/94/947487694.db2.gz ZEKYTHLZWLCZCA-LLVKDONJSA-N -1 1 378.414 0.781 20 0 GCADMM COCCCOCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826156533 947491403 /nfs/dbraw/zinc/49/14/03/947491403.db2.gz IMBVPBVEPPKHJS-UHFFFAOYSA-N -1 1 391.432 0.434 20 0 GCADMM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826160471 947502349 /nfs/dbraw/zinc/50/23/49/947502349.db2.gz SXSBYDPFPARPCL-CMPLNLGQSA-N -1 1 391.432 0.095 20 0 GCADMM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826160471 947502360 /nfs/dbraw/zinc/50/23/60/947502360.db2.gz SXSBYDPFPARPCL-CMPLNLGQSA-N -1 1 391.432 0.095 20 0 GCADMM C[C@@H](C(=O)N(C)CCOCCNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001573604749 947515356 /nfs/dbraw/zinc/51/53/56/947515356.db2.gz QVLFNJSZWBVMIN-OCCSQVGLSA-N -1 1 390.448 0.359 20 0 GCADMM C[C@@H](C(=O)N(C)CCOCCNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001573604749 947515359 /nfs/dbraw/zinc/51/53/59/947515359.db2.gz QVLFNJSZWBVMIN-OCCSQVGLSA-N -1 1 390.448 0.359 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573607659 947550538 /nfs/dbraw/zinc/55/05/38/947550538.db2.gz QPKYSHZGXMAQOZ-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573607659 947550546 /nfs/dbraw/zinc/55/05/46/947550546.db2.gz QPKYSHZGXMAQOZ-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573607825 947553406 /nfs/dbraw/zinc/55/34/06/947553406.db2.gz SCYVOPKQVCWRQY-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573607825 947553415 /nfs/dbraw/zinc/55/34/15/947553415.db2.gz SCYVOPKQVCWRQY-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573607987 947554367 /nfs/dbraw/zinc/55/43/67/947554367.db2.gz TYOYMMVGDLKOIK-LLVKDONJSA-N -1 1 388.457 0.177 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573608359 947560126 /nfs/dbraw/zinc/56/01/26/947560126.db2.gz ZASUIIRMASHQKX-GFCCVEGCSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573608359 947560131 /nfs/dbraw/zinc/56/01/31/947560131.db2.gz ZASUIIRMASHQKX-GFCCVEGCSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001573613662 947566555 /nfs/dbraw/zinc/56/65/55/947566555.db2.gz GCRLMLAHVYQECJ-RMRHIDDWSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001573613662 947566561 /nfs/dbraw/zinc/56/65/61/947566561.db2.gz GCRLMLAHVYQECJ-RMRHIDDWSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cccn1 ZINC001573613746 947568468 /nfs/dbraw/zinc/56/84/68/947568468.db2.gz HTIBKQUOSJCUHQ-NWDGAFQWSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cccn1 ZINC001573613746 947568480 /nfs/dbraw/zinc/56/84/80/947568480.db2.gz HTIBKQUOSJCUHQ-NWDGAFQWSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573613894 947574200 /nfs/dbraw/zinc/57/42/00/947574200.db2.gz BJHMXOQPVVLDFB-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573613894 947574224 /nfs/dbraw/zinc/57/42/24/947574224.db2.gz BJHMXOQPVVLDFB-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573614515 947588826 /nfs/dbraw/zinc/58/88/26/947588826.db2.gz MPUNSUJEBJWSEO-SJCJKPOMSA-N -1 1 382.432 0.187 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573350758 947603295 /nfs/dbraw/zinc/60/32/95/947603295.db2.gz FYBCCWWESPUSCE-CQSZACIVSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573350758 947603300 /nfs/dbraw/zinc/60/33/00/947603300.db2.gz FYBCCWWESPUSCE-CQSZACIVSA-N -1 1 380.412 0.845 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573615281 947604315 /nfs/dbraw/zinc/60/43/15/947604315.db2.gz CXYZXDZJFDDKSG-SWLSCSKDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573615281 947604318 /nfs/dbraw/zinc/60/43/18/947604318.db2.gz CXYZXDZJFDDKSG-SWLSCSKDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cncn1 ZINC001573615629 947608133 /nfs/dbraw/zinc/60/81/33/947608133.db2.gz FBHSCVLGFCNZEP-LLVKDONJSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573615629 947608141 /nfs/dbraw/zinc/60/81/41/947608141.db2.gz FBHSCVLGFCNZEP-LLVKDONJSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573616229 947620078 /nfs/dbraw/zinc/62/00/78/947620078.db2.gz HTOUIHOZYTVKCX-LLVKDONJSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573616229 947620081 /nfs/dbraw/zinc/62/00/81/947620081.db2.gz HTOUIHOZYTVKCX-LLVKDONJSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cccn1 ZINC001573616431 947621857 /nfs/dbraw/zinc/62/18/57/947621857.db2.gz WGBLMNUKSISEDP-WCQYABFASA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cccn1 ZINC001573616431 947621864 /nfs/dbraw/zinc/62/18/64/947621864.db2.gz WGBLMNUKSISEDP-WCQYABFASA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573617369 947634627 /nfs/dbraw/zinc/63/46/27/947634627.db2.gz OXPVEAFPQPSQPI-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573617369 947634631 /nfs/dbraw/zinc/63/46/31/947634631.db2.gz OXPVEAFPQPSQPI-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573617918 947643438 /nfs/dbraw/zinc/64/34/38/947643438.db2.gz QQVSLOFYTOFGRH-BDJLRTHQSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573617918 947643443 /nfs/dbraw/zinc/64/34/43/947643443.db2.gz QQVSLOFYTOFGRH-BDJLRTHQSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573617925 947643658 /nfs/dbraw/zinc/64/36/58/947643658.db2.gz QYVPNBFBCPWKFE-LBPRGKRZSA-N -1 1 382.432 0.187 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573618044 947646121 /nfs/dbraw/zinc/64/61/21/947646121.db2.gz PGNPJYPWAQBPPO-GFCCVEGCSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573618044 947646127 /nfs/dbraw/zinc/64/61/27/947646127.db2.gz PGNPJYPWAQBPPO-GFCCVEGCSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573618838 947654952 /nfs/dbraw/zinc/65/49/52/947654952.db2.gz SROOYTUMOYSQLL-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573618838 947654960 /nfs/dbraw/zinc/65/49/60/947654960.db2.gz SROOYTUMOYSQLL-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573619888 947671989 /nfs/dbraw/zinc/67/19/89/947671989.db2.gz YQLQBQLUJWPMQB-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573619888 947671994 /nfs/dbraw/zinc/67/19/94/947671994.db2.gz YQLQBQLUJWPMQB-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)cc1-c1nn[n-]n1 ZINC000826229605 947672618 /nfs/dbraw/zinc/67/26/18/947672618.db2.gz KRHKGPYYVQBFPE-GFCCVEGCSA-N -1 1 397.420 0.834 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2OC)cc1 ZINC001573359730 947689239 /nfs/dbraw/zinc/68/92/39/947689239.db2.gz ZQLAAYUEEXAORF-HZPDHXFCSA-N -1 1 392.423 0.933 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2OC)cc1 ZINC001573359730 947689245 /nfs/dbraw/zinc/68/92/45/947689245.db2.gz ZQLAAYUEEXAORF-HZPDHXFCSA-N -1 1 392.423 0.933 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2)C1CC1 ZINC001573623680 947690585 /nfs/dbraw/zinc/69/05/85/947690585.db2.gz HOYFCXWWXGKOON-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2)C1CC1 ZINC001573623680 947690593 /nfs/dbraw/zinc/69/05/93/947690593.db2.gz HOYFCXWWXGKOON-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573625241 947702231 /nfs/dbraw/zinc/70/22/31/947702231.db2.gz OPROOHYNXPRREV-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573625241 947702233 /nfs/dbraw/zinc/70/22/33/947702233.db2.gz OPROOHYNXPRREV-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573628107 947745820 /nfs/dbraw/zinc/74/58/20/947745820.db2.gz ISNUWCMMDGOKRB-KBPBESRZSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573628447 947756099 /nfs/dbraw/zinc/75/60/99/947756099.db2.gz KVOIOKQXUAGLEY-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573628447 947756107 /nfs/dbraw/zinc/75/61/07/947756107.db2.gz KVOIOKQXUAGLEY-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573628621 947758881 /nfs/dbraw/zinc/75/88/81/947758881.db2.gz JBCXSZUHISGZJQ-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573628621 947758889 /nfs/dbraw/zinc/75/88/89/947758889.db2.gz JBCXSZUHISGZJQ-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573628885 947767469 /nfs/dbraw/zinc/76/74/69/947767469.db2.gz OVQAYVSRIKFOHU-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573628885 947767474 /nfs/dbraw/zinc/76/74/74/947767474.db2.gz OVQAYVSRIKFOHU-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573629259 947775723 /nfs/dbraw/zinc/77/57/23/947775723.db2.gz NAWDCTXIWIWBEW-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573629259 947775726 /nfs/dbraw/zinc/77/57/26/947775726.db2.gz NAWDCTXIWIWBEW-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573629850 947786242 /nfs/dbraw/zinc/78/62/42/947786242.db2.gz WJYOAWXZPUCFRK-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573629850 947786249 /nfs/dbraw/zinc/78/62/49/947786249.db2.gz WJYOAWXZPUCFRK-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM Cc1cc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1N1CCOCC1 ZINC000826271552 947787694 /nfs/dbraw/zinc/78/76/94/947787694.db2.gz WRVDRTOUXCWDFK-UHFFFAOYSA-N -1 1 398.427 0.153 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573373486 947795577 /nfs/dbraw/zinc/79/55/77/947795577.db2.gz JKCATGPLTUSLRZ-KGLIPLIRSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573373690 947797754 /nfs/dbraw/zinc/79/77/54/947797754.db2.gz KHIJIAJWUPSMDL-GXTWGEPZSA-N -1 1 386.460 0.734 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573373694 947797975 /nfs/dbraw/zinc/79/79/75/947797975.db2.gz KHIJIAJWUPSMDL-OCCSQVGLSA-N -1 1 386.460 0.734 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573374008 947801147 /nfs/dbraw/zinc/80/11/47/947801147.db2.gz LUYBPLBQQBFURX-SFHVURJKSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573374008 947801153 /nfs/dbraw/zinc/80/11/53/947801153.db2.gz LUYBPLBQQBFURX-SFHVURJKSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573374305 947806279 /nfs/dbraw/zinc/80/62/79/947806279.db2.gz JCAGEYZWHQBIRB-AWEZNQCLSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573374305 947806288 /nfs/dbraw/zinc/80/62/88/947806288.db2.gz JCAGEYZWHQBIRB-AWEZNQCLSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573632012 947807622 /nfs/dbraw/zinc/80/76/22/947807622.db2.gz XYAQQFYZMKQBGE-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573632012 947807642 /nfs/dbraw/zinc/80/76/42/947807642.db2.gz XYAQQFYZMKQBGE-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573632006 947808186 /nfs/dbraw/zinc/80/81/86/947808186.db2.gz XYAQQFYZMKQBGE-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573632006 947808197 /nfs/dbraw/zinc/80/81/97/947808197.db2.gz XYAQQFYZMKQBGE-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573637433 947814529 /nfs/dbraw/zinc/81/45/29/947814529.db2.gz CVMQZOOPAFIGNI-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM CC(=O)CCCC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573375075 947816167 /nfs/dbraw/zinc/81/61/67/947816167.db2.gz LZLQTRKXEAMOAK-UHFFFAOYSA-N -1 1 392.485 0.741 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573375555 947820963 /nfs/dbraw/zinc/82/09/63/947820963.db2.gz OEWMOSQRULTRDQ-MJBXVCDLSA-N -1 1 384.444 0.890 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001573637709 947821019 /nfs/dbraw/zinc/82/10/19/947821019.db2.gz NWPXMMSWJMMEJJ-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573637709 947821029 /nfs/dbraw/zinc/82/10/29/947821029.db2.gz NWPXMMSWJMMEJJ-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573637730 947821786 /nfs/dbraw/zinc/82/17/86/947821786.db2.gz OINJLGJAPMDMRG-STQMWFEESA-N -1 1 388.476 0.790 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573637748 947822403 /nfs/dbraw/zinc/82/24/03/947822403.db2.gz OZXPALMGGTXBEY-WDEREUQCSA-N -1 1 391.436 0.535 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573637747 947822941 /nfs/dbraw/zinc/82/29/41/947822941.db2.gz OZXPALMGGTXBEY-GHMZBOCLSA-N -1 1 391.436 0.535 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573376282 947833914 /nfs/dbraw/zinc/83/39/14/947833914.db2.gz XJQLKPOPAFVJHS-KRWDZBQOSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573376282 947833922 /nfs/dbraw/zinc/83/39/22/947833922.db2.gz XJQLKPOPAFVJHS-KRWDZBQOSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573376864 947844328 /nfs/dbraw/zinc/84/43/28/947844328.db2.gz ZQBBIFQDYCPQCL-IHRRRGAJSA-N -1 1 384.444 0.890 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573376864 947844337 /nfs/dbraw/zinc/84/43/37/947844337.db2.gz ZQBBIFQDYCPQCL-IHRRRGAJSA-N -1 1 384.444 0.890 20 0 GCADMM Cc1onc(CC(=O)N2CCCN(c3ccc(C)nn3)CC2)c1-c1nnn[n-]1 ZINC000826290765 947847757 /nfs/dbraw/zinc/84/77/57/947847757.db2.gz YXDYFDCZPMCPRU-UHFFFAOYSA-N -1 1 383.416 0.543 20 0 GCADMM Cc1onc(CC(=O)N2CCCN(c3ccc(C)nn3)CC2)c1-c1nn[n-]n1 ZINC000826290765 947847763 /nfs/dbraw/zinc/84/77/63/947847763.db2.gz YXDYFDCZPMCPRU-UHFFFAOYSA-N -1 1 383.416 0.543 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573639753 947847904 /nfs/dbraw/zinc/84/79/04/947847904.db2.gz CHYVJWBUSFUIRH-DTWKUNHWSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573639753 947847909 /nfs/dbraw/zinc/84/79/09/947847909.db2.gz CHYVJWBUSFUIRH-DTWKUNHWSA-N -1 1 386.338 0.494 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573377713 947849932 /nfs/dbraw/zinc/84/99/32/947849932.db2.gz QZMKMUHQZMFCMY-TZMCWYRMSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573377713 947849939 /nfs/dbraw/zinc/84/99/39/947849939.db2.gz QZMKMUHQZMFCMY-TZMCWYRMSA-N -1 1 388.432 0.444 20 0 GCADMM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)CC3 ZINC000826293199 947850870 /nfs/dbraw/zinc/85/08/70/947850870.db2.gz FMAWRWYSRYJLIL-LLVKDONJSA-N -1 1 377.412 0.922 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccn1 ZINC001573640880 947854656 /nfs/dbraw/zinc/85/46/56/947854656.db2.gz JPXDNDJELBRMGN-CHWSQXEVSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccn1 ZINC001573640880 947854658 /nfs/dbraw/zinc/85/46/58/947854658.db2.gz JPXDNDJELBRMGN-CHWSQXEVSA-N -1 1 379.428 0.893 20 0 GCADMM CC(=O)CCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001573380487 947858416 /nfs/dbraw/zinc/85/84/16/947858416.db2.gz CTRPARLLLUGCEU-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM CC(=O)CCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001573380487 947858422 /nfs/dbraw/zinc/85/84/22/947858422.db2.gz CTRPARLLLUGCEU-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM Cc1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1F ZINC000826299047 947865772 /nfs/dbraw/zinc/86/57/72/947865772.db2.gz PDKVSERJXMCJHX-UHFFFAOYSA-N -1 1 387.379 0.307 20 0 GCADMM Cc1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1F ZINC000826299047 947865781 /nfs/dbraw/zinc/86/57/81/947865781.db2.gz PDKVSERJXMCJHX-UHFFFAOYSA-N -1 1 387.379 0.307 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001573381114 947869427 /nfs/dbraw/zinc/86/94/27/947869427.db2.gz OCVFJCGYYMGNJN-KRWDZBQOSA-N -1 1 388.432 0.128 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001573646421 947874772 /nfs/dbraw/zinc/87/47/72/947874772.db2.gz MFEKAHRASQJBMX-HZSPNIEDSA-N -1 1 379.428 0.757 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573381481 947874958 /nfs/dbraw/zinc/87/49/58/947874958.db2.gz VZONGRYWUBLYCE-MRVPVSSYSA-N -1 1 387.853 0.625 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573381481 947874968 /nfs/dbraw/zinc/87/49/68/947874968.db2.gz VZONGRYWUBLYCE-MRVPVSSYSA-N -1 1 387.853 0.625 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C(F)(F)F ZINC001573646798 947880642 /nfs/dbraw/zinc/88/06/42/947880642.db2.gz VPVRQDUGHXAIMO-WCABBAIRSA-N -1 1 382.350 0.892 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001573646798 947880648 /nfs/dbraw/zinc/88/06/48/947880648.db2.gz VPVRQDUGHXAIMO-WCABBAIRSA-N -1 1 382.350 0.892 20 0 GCADMM CC(=O)N1CCC(NC(=O)CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)CC1 ZINC001602744015 971438903 /nfs/dbraw/zinc/43/89/03/971438903.db2.gz CZWLFJNSPTXRIA-GJZGRUSLSA-N -1 1 391.472 0.037 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(F)(F)F ZINC001573647352 947891710 /nfs/dbraw/zinc/89/17/10/947891710.db2.gz IPDOSLDOCPKBFH-LPEHRKFASA-N -1 1 382.350 0.750 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(F)(F)F ZINC001573647352 947891717 /nfs/dbraw/zinc/89/17/17/947891717.db2.gz IPDOSLDOCPKBFH-LPEHRKFASA-N -1 1 382.350 0.750 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573647605 947898766 /nfs/dbraw/zinc/89/87/66/947898766.db2.gz PZIYWGAJGCQYCB-JHJVBQTASA-N -1 1 397.447 0.406 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573647605 947898772 /nfs/dbraw/zinc/89/87/72/947898772.db2.gz PZIYWGAJGCQYCB-JHJVBQTASA-N -1 1 397.447 0.406 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)n1cccc1 ZINC001573647607 947900278 /nfs/dbraw/zinc/90/02/78/947900278.db2.gz QBEOAYQCGIBXTP-MELADBBJSA-N -1 1 379.428 0.614 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)n1cccc1 ZINC001573647607 947900281 /nfs/dbraw/zinc/90/02/81/947900281.db2.gz QBEOAYQCGIBXTP-MELADBBJSA-N -1 1 379.428 0.614 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573647974 947904592 /nfs/dbraw/zinc/90/45/92/947904592.db2.gz WDYFPOHTGVMLON-NTZNESFSSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573647974 947904600 /nfs/dbraw/zinc/90/46/00/947904600.db2.gz WDYFPOHTGVMLON-NTZNESFSSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)n1cccn1 ZINC001573650373 947908120 /nfs/dbraw/zinc/90/81/20/947908120.db2.gz AYIUYBODVYFWMZ-RWMBFGLXSA-N -1 1 380.416 0.009 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)n1cccn1 ZINC001573650373 947908131 /nfs/dbraw/zinc/90/81/31/947908131.db2.gz AYIUYBODVYFWMZ-RWMBFGLXSA-N -1 1 380.416 0.009 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)n1cccc1 ZINC001573650513 947910635 /nfs/dbraw/zinc/91/06/35/947910635.db2.gz CNJKEPVHXKDOQU-MCIONIFRSA-N -1 1 379.428 0.614 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)n1cccc1 ZINC001573650513 947910642 /nfs/dbraw/zinc/91/06/42/947910642.db2.gz CNJKEPVHXKDOQU-MCIONIFRSA-N -1 1 379.428 0.614 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573387893 947913850 /nfs/dbraw/zinc/91/38/50/947913850.db2.gz FXOIURLPYZGJED-ZETCQYMHSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573387893 947913855 /nfs/dbraw/zinc/91/38/55/947913855.db2.gz FXOIURLPYZGJED-ZETCQYMHSA-N -1 1 386.869 0.714 20 0 GCADMM C[C@@H](C(=O)N=[S@@](C)(=O)c1ccc(N(C)C)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651159 947917024 /nfs/dbraw/zinc/91/70/24/947917024.db2.gz JALNZDUTEJNHJK-JGFSIVIASA-N -1 1 389.445 0.769 20 0 GCADMM C[C@H](C(=O)N=[S@@](C)(=O)c1ccc(N(C)C)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651156 947918236 /nfs/dbraw/zinc/91/82/36/947918236.db2.gz JALNZDUTEJNHJK-BLBHWQHRSA-N -1 1 389.445 0.769 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573388317 947919039 /nfs/dbraw/zinc/91/90/39/947919039.db2.gz KUVPHVCQFUGEOR-UHFFFAOYSA-N -1 1 378.462 0.511 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(C)(F)F ZINC001573651227 947919959 /nfs/dbraw/zinc/91/99/59/947919959.db2.gz KHSDKIBHTOJTPA-MXWKQRLJSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(C)(F)F ZINC001573651227 947919962 /nfs/dbraw/zinc/91/99/62/947919962.db2.gz KHSDKIBHTOJTPA-MXWKQRLJSA-N -1 1 378.387 0.843 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001573389863 947926740 /nfs/dbraw/zinc/92/67/40/947926740.db2.gz UXJYGTJXPPAANK-LBPRGKRZSA-N -1 1 377.474 0.439 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001573652127 947928987 /nfs/dbraw/zinc/92/89/87/947928987.db2.gz BFFALVLIGZTEPV-APPDUMDISA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001573652127 947928990 /nfs/dbraw/zinc/92/89/90/947928990.db2.gz BFFALVLIGZTEPV-APPDUMDISA-N -1 1 382.432 0.811 20 0 GCADMM Cc1cnc(CN(C)[C@H]2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)o1 ZINC000826318472 947932642 /nfs/dbraw/zinc/93/26/42/947932642.db2.gz KUSQHDZXQCXQLG-LBPRGKRZSA-N -1 1 386.416 0.735 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573392667 947950854 /nfs/dbraw/zinc/95/08/54/947950854.db2.gz DKNSWEOUMXCEKO-UHFFFAOYSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573392667 947950859 /nfs/dbraw/zinc/95/08/59/947950859.db2.gz DKNSWEOUMXCEKO-UHFFFAOYSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573393662 947958822 /nfs/dbraw/zinc/95/88/22/947958822.db2.gz OSBKGNROHFBAQW-SKDRFNHKSA-N -1 1 392.489 0.901 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393952 947960073 /nfs/dbraw/zinc/96/00/73/947960073.db2.gz RGEFGCMXYWOTHL-BXKDBHETSA-N -1 1 392.489 0.759 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573393895 947960211 /nfs/dbraw/zinc/96/02/11/947960211.db2.gz QHWDJZZMAXYPFG-UHFFFAOYSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573393895 947960215 /nfs/dbraw/zinc/96/02/15/947960215.db2.gz QHWDJZZMAXYPFG-UHFFFAOYSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573394067 947962641 /nfs/dbraw/zinc/96/26/41/947962641.db2.gz SIONIHBYBJECST-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573394067 947962645 /nfs/dbraw/zinc/96/26/45/947962645.db2.gz SIONIHBYBJECST-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001573654429 947966311 /nfs/dbraw/zinc/96/63/11/947966311.db2.gz QSWJOULIHQOJFZ-APPDUMDISA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001573654429 947966322 /nfs/dbraw/zinc/96/63/22/947966322.db2.gz QSWJOULIHQOJFZ-APPDUMDISA-N -1 1 382.432 0.811 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573395304 947970287 /nfs/dbraw/zinc/97/02/87/947970287.db2.gz YPPOQPAIXFWOSD-ZDUSSCGKSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573395304 947970293 /nfs/dbraw/zinc/97/02/93/947970293.db2.gz YPPOQPAIXFWOSD-ZDUSSCGKSA-N -1 1 387.448 0.094 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cncn1 ZINC001573655794 947980896 /nfs/dbraw/zinc/98/08/96/947980896.db2.gz YXMMAKUPHMDQMZ-JQWIXIFHSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cncn1 ZINC001573655794 947980907 /nfs/dbraw/zinc/98/09/07/947980907.db2.gz YXMMAKUPHMDQMZ-JQWIXIFHSA-N -1 1 385.436 0.452 20 0 GCADMM Cc1onc(CC(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000826343524 947992939 /nfs/dbraw/zinc/99/29/39/947992939.db2.gz DXEPZXDHYBHYPV-UHFFFAOYSA-N -1 1 387.444 0.957 20 0 GCADMM Cc1onc(CC(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000826343524 947992949 /nfs/dbraw/zinc/99/29/49/947992949.db2.gz DXEPZXDHYBHYPV-UHFFFAOYSA-N -1 1 387.444 0.957 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573399638 947994250 /nfs/dbraw/zinc/99/42/50/947994250.db2.gz YBOPIEBLYNSCQB-CYBMUJFWSA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573399638 947994254 /nfs/dbraw/zinc/99/42/54/947994254.db2.gz YBOPIEBLYNSCQB-CYBMUJFWSA-N -1 1 389.464 0.386 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573656827 947994280 /nfs/dbraw/zinc/99/42/80/947994280.db2.gz IKVALIRKIPNLGV-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573656827 947994288 /nfs/dbraw/zinc/99/42/88/947994288.db2.gz IKVALIRKIPNLGV-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573399802 947994712 /nfs/dbraw/zinc/99/47/12/947994712.db2.gz YQYLGCBXGPMWLY-SSDOTTSWSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573399802 947994718 /nfs/dbraw/zinc/99/47/18/947994718.db2.gz YQYLGCBXGPMWLY-SSDOTTSWSA-N -1 1 386.869 0.762 20 0 GCADMM C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573656857 947994938 /nfs/dbraw/zinc/99/49/38/947994938.db2.gz IUUYVZNEJBYKMD-STQMWFEESA-N -1 1 386.460 0.735 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573401449 947998421 /nfs/dbraw/zinc/99/84/21/947998421.db2.gz CIECROAFQSXUSW-OLZOCXBDSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573401449 947998426 /nfs/dbraw/zinc/99/84/26/947998426.db2.gz CIECROAFQSXUSW-OLZOCXBDSA-N -1 1 387.448 0.222 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C3N=NC(=S)N3C)CC2)c1-c1nnn[n-]1 ZINC000826344095 948000723 /nfs/dbraw/zinc/00/07/23/948000723.db2.gz XCBLFDWEPHIKOZ-UHFFFAOYSA-N -1 1 389.445 0.529 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C3N=NC(=S)N3C)CC2)c1-c1nn[n-]n1 ZINC000826344095 948000732 /nfs/dbraw/zinc/00/07/32/948000732.db2.gz XCBLFDWEPHIKOZ-UHFFFAOYSA-N -1 1 389.445 0.529 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573402416 948002171 /nfs/dbraw/zinc/00/21/71/948002171.db2.gz GLIZQFXWZXZOOR-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573402416 948002177 /nfs/dbraw/zinc/00/21/77/948002177.db2.gz GLIZQFXWZXZOOR-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573657682 948003331 /nfs/dbraw/zinc/00/33/31/948003331.db2.gz ONQBLKQCOHQXDZ-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573657682 948003336 /nfs/dbraw/zinc/00/33/36/948003336.db2.gz ONQBLKQCOHQXDZ-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826344453 948006783 /nfs/dbraw/zinc/00/67/83/948006783.db2.gz IROAAUKPTFUFEY-GFCCVEGCSA-N -1 1 384.400 0.703 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826344453 948006789 /nfs/dbraw/zinc/00/67/89/948006789.db2.gz IROAAUKPTFUFEY-GFCCVEGCSA-N -1 1 384.400 0.703 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1-c1nnn[n-]1 ZINC000826344396 948007966 /nfs/dbraw/zinc/00/79/66/948007966.db2.gz GPPTVWGSZPVQEH-UHFFFAOYSA-N -1 1 399.386 0.829 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1-c1nn[n-]n1 ZINC000826344396 948007972 /nfs/dbraw/zinc/00/79/72/948007972.db2.gz GPPTVWGSZPVQEH-UHFFFAOYSA-N -1 1 399.386 0.829 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573658980 948010729 /nfs/dbraw/zinc/01/07/29/948010729.db2.gz UIMRGUPIAAHIDE-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573658980 948010739 /nfs/dbraw/zinc/01/07/39/948010739.db2.gz UIMRGUPIAAHIDE-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573403475 948010851 /nfs/dbraw/zinc/01/08/51/948010851.db2.gz NDSOBELHAUPYJQ-VXGBXAGGSA-N -1 1 392.489 0.949 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1-c1nnn[n-]1 ZINC000826344966 948015929 /nfs/dbraw/zinc/01/59/29/948015929.db2.gz YGKDQQCADTZUHP-UHFFFAOYSA-N -1 1 397.395 0.396 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1-c1nn[n-]n1 ZINC000826344966 948015939 /nfs/dbraw/zinc/01/59/39/948015939.db2.gz YGKDQQCADTZUHP-UHFFFAOYSA-N -1 1 397.395 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573404164 948017278 /nfs/dbraw/zinc/01/72/78/948017278.db2.gz QWLPESKSYUDZJQ-LBPRGKRZSA-N -1 1 392.489 0.585 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)NCCC(C)C)c1-c1nnn[n-]1 ZINC000826345183 948019677 /nfs/dbraw/zinc/01/96/77/948019677.db2.gz FLKNQEGGVSGDLU-LBPRGKRZSA-N -1 1 393.473 0.769 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)NCCC(C)C)c1-c1nn[n-]n1 ZINC000826345183 948019687 /nfs/dbraw/zinc/01/96/87/948019687.db2.gz FLKNQEGGVSGDLU-LBPRGKRZSA-N -1 1 393.473 0.769 20 0 GCADMM Cc1onc(CC(=O)NC(C)(C)C(=O)NCC2CCCC2)c1-c1nnn[n-]1 ZINC000826345265 948020876 /nfs/dbraw/zinc/02/08/76/948020876.db2.gz HTOXUUAELKHZSF-UHFFFAOYSA-N -1 1 375.433 0.907 20 0 GCADMM Cc1onc(CC(=O)NC(C)(C)C(=O)NCC2CCCC2)c1-c1nn[n-]n1 ZINC000826345265 948020884 /nfs/dbraw/zinc/02/08/84/948020884.db2.gz HTOXUUAELKHZSF-UHFFFAOYSA-N -1 1 375.433 0.907 20 0 GCADMM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001573662021 948023330 /nfs/dbraw/zinc/02/33/30/948023330.db2.gz AUSVFKPZMMSTJU-NSHDSACASA-N -1 1 385.432 0.078 20 0 GCADMM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001573662021 948023336 /nfs/dbraw/zinc/02/33/36/948023336.db2.gz AUSVFKPZMMSTJU-NSHDSACASA-N -1 1 385.432 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573404680 948031868 /nfs/dbraw/zinc/03/18/68/948031868.db2.gz JJYYWAQTFMXWPS-ZDUSSCGKSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573404680 948031874 /nfs/dbraw/zinc/03/18/74/948031874.db2.gz JJYYWAQTFMXWPS-ZDUSSCGKSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573404885 948033819 /nfs/dbraw/zinc/03/38/19/948033819.db2.gz XKPGDGSLIKJVIH-CHWSQXEVSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573404885 948033826 /nfs/dbraw/zinc/03/38/26/948033826.db2.gz XKPGDGSLIKJVIH-CHWSQXEVSA-N -1 1 387.448 0.283 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1-c1nnn[n-]1 ZINC000826346215 948035322 /nfs/dbraw/zinc/03/53/22/948035322.db2.gz GRYCEBWFHGJYFO-NSHDSACASA-N -1 1 385.359 0.766 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1-c1nn[n-]n1 ZINC000826346215 948035328 /nfs/dbraw/zinc/03/53/28/948035328.db2.gz GRYCEBWFHGJYFO-NSHDSACASA-N -1 1 385.359 0.766 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1-c1nnn[n-]1 ZINC000826346214 948036371 /nfs/dbraw/zinc/03/63/71/948036371.db2.gz GRYCEBWFHGJYFO-LLVKDONJSA-N -1 1 385.359 0.766 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1-c1nn[n-]n1 ZINC000826346214 948036380 /nfs/dbraw/zinc/03/63/80/948036380.db2.gz GRYCEBWFHGJYFO-LLVKDONJSA-N -1 1 385.359 0.766 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573405102 948037297 /nfs/dbraw/zinc/03/72/97/948037297.db2.gz XWRXQTLZYQPMEH-CHWSQXEVSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573405102 948037304 /nfs/dbraw/zinc/03/73/04/948037304.db2.gz XWRXQTLZYQPMEH-CHWSQXEVSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573405225 948040005 /nfs/dbraw/zinc/04/00/05/948040005.db2.gz ZZWMIXIHYQWQCF-NWDGAFQWSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573405326 948043143 /nfs/dbraw/zinc/04/31/43/948043143.db2.gz PFJHLINEHUKWQO-UHFFFAOYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573405326 948043154 /nfs/dbraw/zinc/04/31/54/948043154.db2.gz PFJHLINEHUKWQO-UHFFFAOYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573405721 948047877 /nfs/dbraw/zinc/04/78/77/948047877.db2.gz VBRKQOXJZLDRHN-CYBMUJFWSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573405721 948047885 /nfs/dbraw/zinc/04/78/85/948047885.db2.gz VBRKQOXJZLDRHN-CYBMUJFWSA-N -1 1 387.448 0.000 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)c2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000826347264 948050634 /nfs/dbraw/zinc/05/06/34/948050634.db2.gz LAPFQRAAOQKZJX-UHFFFAOYSA-N -1 1 391.338 0.530 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000826347264 948050639 /nfs/dbraw/zinc/05/06/39/948050639.db2.gz LAPFQRAAOQKZJX-UHFFFAOYSA-N -1 1 391.338 0.530 20 0 GCADMM Cc1onc(CC(=O)NCCCc2nnc3n2CCCCC3)c1-c1nnn[n-]1 ZINC000826347253 948051134 /nfs/dbraw/zinc/05/11/34/948051134.db2.gz KKCQWJPDTOKVBP-UHFFFAOYSA-N -1 1 385.432 0.773 20 0 GCADMM Cc1onc(CC(=O)NCCCc2nnc3n2CCCCC3)c1-c1nn[n-]n1 ZINC000826347253 948051139 /nfs/dbraw/zinc/05/11/39/948051139.db2.gz KKCQWJPDTOKVBP-UHFFFAOYSA-N -1 1 385.432 0.773 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1-c1nnn[n-]1 ZINC000826347714 948058672 /nfs/dbraw/zinc/05/86/72/948058672.db2.gz BGHPWIPBQVRFGK-UHFFFAOYSA-N -1 1 381.396 0.914 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1-c1nn[n-]n1 ZINC000826347714 948058682 /nfs/dbraw/zinc/05/86/82/948058682.db2.gz BGHPWIPBQVRFGK-UHFFFAOYSA-N -1 1 381.396 0.914 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573408068 948063393 /nfs/dbraw/zinc/06/33/93/948063393.db2.gz AVYGRIQCHVDUHS-ZKCHVHJHSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573408068 948063400 /nfs/dbraw/zinc/06/34/00/948063400.db2.gz AVYGRIQCHVDUHS-ZKCHVHJHSA-N -1 1 384.853 0.514 20 0 GCADMM Cc1onc(CC(=O)NCc2ccnc(N3CCOCC3)c2)c1-c1nnn[n-]1 ZINC000826348122 948066546 /nfs/dbraw/zinc/06/65/46/948066546.db2.gz VPJCVXRGCOPBTN-UHFFFAOYSA-N -1 1 384.400 0.254 20 0 GCADMM Cc1onc(CC(=O)NCc2ccnc(N3CCOCC3)c2)c1-c1nn[n-]n1 ZINC000826348122 948066552 /nfs/dbraw/zinc/06/65/52/948066552.db2.gz VPJCVXRGCOPBTN-UHFFFAOYSA-N -1 1 384.400 0.254 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(N3CCOC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348139 948067085 /nfs/dbraw/zinc/06/70/85/948067085.db2.gz WUPCMQUYGAZTRQ-UHFFFAOYSA-N -1 1 383.368 0.979 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(N3CCOC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348139 948067097 /nfs/dbraw/zinc/06/70/97/948067097.db2.gz WUPCMQUYGAZTRQ-UHFFFAOYSA-N -1 1 383.368 0.979 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1-c1nnn[n-]1 ZINC000826348185 948068968 /nfs/dbraw/zinc/06/89/68/948068968.db2.gz ZBKBDMLXYSFFEC-UHFFFAOYSA-N -1 1 399.411 0.489 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1-c1nn[n-]n1 ZINC000826348185 948068978 /nfs/dbraw/zinc/06/89/78/948068978.db2.gz ZBKBDMLXYSFFEC-UHFFFAOYSA-N -1 1 399.411 0.489 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1-c1nnn[n-]1 ZINC000826348530 948074831 /nfs/dbraw/zinc/07/48/31/948074831.db2.gz QUHOWNQXTLMLKP-UHFFFAOYSA-N -1 1 385.384 0.811 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1-c1nn[n-]n1 ZINC000826348530 948074839 /nfs/dbraw/zinc/07/48/39/948074839.db2.gz QUHOWNQXTLMLKP-UHFFFAOYSA-N -1 1 385.384 0.811 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573666001 948080506 /nfs/dbraw/zinc/08/05/06/948080506.db2.gz OLVYLUZQKZKYRN-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573666001 948080515 /nfs/dbraw/zinc/08/05/15/948080515.db2.gz OLVYLUZQKZKYRN-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(Cn3cccnc3=O)c2)c1-c1nnn[n-]1 ZINC000826348795 948082089 /nfs/dbraw/zinc/08/20/89/948082089.db2.gz FHJRTMKJLJGFQG-UHFFFAOYSA-N -1 1 392.379 0.949 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(Cn3cccnc3=O)c2)c1-c1nn[n-]n1 ZINC000826348795 948082098 /nfs/dbraw/zinc/08/20/98/948082098.db2.gz FHJRTMKJLJGFQG-UHFFFAOYSA-N -1 1 392.379 0.949 20 0 GCADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)[C@@H]2C)C1 ZINC001573413790 948085371 /nfs/dbraw/zinc/08/53/71/948085371.db2.gz GDZVFNZMLAXVBT-CABZTGNLSA-N -1 1 390.473 0.511 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1-c1nnn[n-]1 ZINC000826349217 948089593 /nfs/dbraw/zinc/08/95/93/948089593.db2.gz ZYLLAMDKUFMHAI-UHFFFAOYSA-N -1 1 396.367 0.396 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1-c1nn[n-]n1 ZINC000826349217 948089606 /nfs/dbraw/zinc/08/96/06/948089606.db2.gz ZYLLAMDKUFMHAI-UHFFFAOYSA-N -1 1 396.367 0.396 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573666853 948091834 /nfs/dbraw/zinc/09/18/34/948091834.db2.gz WVBJROBKHGVROV-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573666853 948091842 /nfs/dbraw/zinc/09/18/42/948091842.db2.gz WVBJROBKHGVROV-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(=O)N(CCc1ccccc1)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573415547 948110382 /nfs/dbraw/zinc/11/03/82/948110382.db2.gz XHLZOEQNPJBYLJ-UHFFFAOYSA-N -1 1 379.424 0.969 20 0 GCADMM CC(=O)N(CCc1ccccc1)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573415547 948110387 /nfs/dbraw/zinc/11/03/87/948110387.db2.gz XHLZOEQNPJBYLJ-UHFFFAOYSA-N -1 1 379.424 0.969 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)n1 ZINC000826357988 948112705 /nfs/dbraw/zinc/11/27/05/948112705.db2.gz ZIHGRLLMIHAGRX-UHFFFAOYSA-N -1 1 386.376 0.990 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)n1 ZINC000826357988 948112711 /nfs/dbraw/zinc/11/27/11/948112711.db2.gz ZIHGRLLMIHAGRX-UHFFFAOYSA-N -1 1 386.376 0.990 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001573673984 948116837 /nfs/dbraw/zinc/11/68/37/948116837.db2.gz MSQFMFILLSRFSQ-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001573673984 948116842 /nfs/dbraw/zinc/11/68/42/948116842.db2.gz MSQFMFILLSRFSQ-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573419643 948125562 /nfs/dbraw/zinc/12/55/62/948125562.db2.gz OEGZRIUUAGJQFV-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573419643 948125568 /nfs/dbraw/zinc/12/55/68/948125568.db2.gz OEGZRIUUAGJQFV-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)C)C1 ZINC001573421171 948137404 /nfs/dbraw/zinc/13/74/04/948137404.db2.gz DEZXMXZFZSUNCM-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)C)C1 ZINC001573421171 948137411 /nfs/dbraw/zinc/13/74/11/948137411.db2.gz DEZXMXZFZSUNCM-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573678669 948153105 /nfs/dbraw/zinc/15/31/05/948153105.db2.gz GGEBEOFQXDPLLQ-WCQYABFASA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573678669 948153110 /nfs/dbraw/zinc/15/31/10/948153110.db2.gz GGEBEOFQXDPLLQ-WCQYABFASA-N -1 1 384.448 0.747 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573426877 948159802 /nfs/dbraw/zinc/15/98/02/948159802.db2.gz PSEIXOFZIACPBC-ZCFIWIBFSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573426877 948159805 /nfs/dbraw/zinc/15/98/05/948159805.db2.gz PSEIXOFZIACPBC-ZCFIWIBFSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573430577 948175791 /nfs/dbraw/zinc/17/57/91/948175791.db2.gz QIGLUGJYDDSUDC-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573430577 948175796 /nfs/dbraw/zinc/17/57/96/948175796.db2.gz QIGLUGJYDDSUDC-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573431930 948183989 /nfs/dbraw/zinc/18/39/89/948183989.db2.gz BYYWVUXYIVTBBI-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573431930 948183996 /nfs/dbraw/zinc/18/39/96/948183996.db2.gz BYYWVUXYIVTBBI-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573432907 948195209 /nfs/dbraw/zinc/19/52/09/948195209.db2.gz IKDDJRQAXOHPJF-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573432907 948195212 /nfs/dbraw/zinc/19/52/12/948195212.db2.gz IKDDJRQAXOHPJF-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573432905 948195842 /nfs/dbraw/zinc/19/58/42/948195842.db2.gz IKDDJRQAXOHPJF-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573432905 948195849 /nfs/dbraw/zinc/19/58/49/948195849.db2.gz IKDDJRQAXOHPJF-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573681254 948199289 /nfs/dbraw/zinc/19/92/89/948199289.db2.gz TXXJMYFQQSIXFY-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573681254 948199296 /nfs/dbraw/zinc/19/92/96/948199296.db2.gz TXXJMYFQQSIXFY-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC001573433524 948201431 /nfs/dbraw/zinc/20/14/31/948201431.db2.gz LWQHJHJVJPGHEG-UHFFFAOYSA-N -1 1 387.444 0.644 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573681380 948202172 /nfs/dbraw/zinc/20/21/72/948202172.db2.gz VESUNGVANIPMLD-DGCLKSJQSA-N -1 1 384.448 0.169 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434213 948211071 /nfs/dbraw/zinc/21/10/71/948211071.db2.gz OXVNJWIYBGPVMQ-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434213 948211090 /nfs/dbraw/zinc/21/10/90/948211090.db2.gz OXVNJWIYBGPVMQ-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573681970 948218547 /nfs/dbraw/zinc/21/85/47/948218547.db2.gz ZQGHOGZEFXUXKR-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573681970 948218557 /nfs/dbraw/zinc/21/85/57/948218557.db2.gz ZQGHOGZEFXUXKR-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573435481 948231571 /nfs/dbraw/zinc/23/15/71/948231571.db2.gz XITNKRHRNGVPKG-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573435481 948231581 /nfs/dbraw/zinc/23/15/81/948231581.db2.gz XITNKRHRNGVPKG-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1cnn(C)c1 ZINC001573691157 948236235 /nfs/dbraw/zinc/23/62/35/948236235.db2.gz DFZNYJPPFOQFJO-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1cnn(C)c1 ZINC001573691157 948236243 /nfs/dbraw/zinc/23/62/43/948236243.db2.gz DFZNYJPPFOQFJO-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)Cc1cccc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573691193 948238713 /nfs/dbraw/zinc/23/87/13/948238713.db2.gz IBYPEQDDPVLSTH-BXKDBHETSA-N -1 1 376.808 0.392 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573439713 948250503 /nfs/dbraw/zinc/25/05/03/948250503.db2.gz QBHCLVIDXRNRFD-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573439713 948250510 /nfs/dbraw/zinc/25/05/10/948250510.db2.gz QBHCLVIDXRNRFD-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573439813 948253724 /nfs/dbraw/zinc/25/37/24/948253724.db2.gz SSNIQISLUPRYFB-GFCCVEGCSA-N -1 1 392.489 0.760 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439905 948256377 /nfs/dbraw/zinc/25/63/77/948256377.db2.gz VTOIWBGNBQOVOI-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439905 948256384 /nfs/dbraw/zinc/25/63/84/948256384.db2.gz VTOIWBGNBQOVOI-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM O=C(COC(=O)c1ccnnc1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826416494 948256794 /nfs/dbraw/zinc/25/67/94/948256794.db2.gz BPJHSKXYHQDCQL-UHFFFAOYSA-N -1 1 391.351 0.638 20 0 GCADMM O=C(COC(=O)c1ccnnc1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826416494 948256801 /nfs/dbraw/zinc/25/68/01/948256801.db2.gz BPJHSKXYHQDCQL-UHFFFAOYSA-N -1 1 391.351 0.638 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573441771 948276362 /nfs/dbraw/zinc/27/63/62/948276362.db2.gz AWRGETCAAOFSBR-YPMHNXCESA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573441771 948276369 /nfs/dbraw/zinc/27/63/69/948276369.db2.gz AWRGETCAAOFSBR-YPMHNXCESA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573441896 948279972 /nfs/dbraw/zinc/27/99/72/948279972.db2.gz PECZXTROZZTYMK-CYBMUJFWSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573441896 948279979 /nfs/dbraw/zinc/27/99/79/948279979.db2.gz PECZXTROZZTYMK-CYBMUJFWSA-N -1 1 387.448 0.284 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001573693881 948289087 /nfs/dbraw/zinc/28/90/87/948289087.db2.gz UYELNETVZOPXAK-WDEREUQCSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001573693881 948289093 /nfs/dbraw/zinc/28/90/93/948289093.db2.gz UYELNETVZOPXAK-WDEREUQCSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001573694270 948291155 /nfs/dbraw/zinc/29/11/55/948291155.db2.gz CAFNIIWMTNFHEV-YPMHNXCESA-N -1 1 392.485 0.406 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573694442 948294723 /nfs/dbraw/zinc/29/47/23/948294723.db2.gz VQBBXZOTSTWXOC-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccco1 ZINC001573694769 948298304 /nfs/dbraw/zinc/29/83/04/948298304.db2.gz DOWLBYJRWZQRLA-NSHDSACASA-N -1 1 388.453 0.988 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573442946 948300251 /nfs/dbraw/zinc/30/02/51/948300251.db2.gz KMOBMXZQOMKGGB-JOYOIKCWSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573695291 948303786 /nfs/dbraw/zinc/30/37/86/948303786.db2.gz GBKROWUNQLGAHT-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573695291 948303793 /nfs/dbraw/zinc/30/37/93/948303793.db2.gz GBKROWUNQLGAHT-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1cnn(C)c1 ZINC001573695532 948305122 /nfs/dbraw/zinc/30/51/22/948305122.db2.gz GQYIMRYJGSGARI-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1cnn(C)c1 ZINC001573695532 948305129 /nfs/dbraw/zinc/30/51/29/948305129.db2.gz GQYIMRYJGSGARI-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCC1 ZINC001573695607 948307284 /nfs/dbraw/zinc/30/72/84/948307284.db2.gz XXWLDFNNWSPHQG-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCC1 ZINC001573695607 948307293 /nfs/dbraw/zinc/30/72/93/948307293.db2.gz XXWLDFNNWSPHQG-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cccnc1 ZINC001573696227 948319492 /nfs/dbraw/zinc/31/94/92/948319492.db2.gz MKSMFRMECUYSGU-CYUUQNCZSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cccnc1 ZINC001573696227 948319500 /nfs/dbraw/zinc/31/95/00/948319500.db2.gz MKSMFRMECUYSGU-CYUUQNCZSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001573696198 948320476 /nfs/dbraw/zinc/32/04/76/948320476.db2.gz LYTWXPRGPSPGTG-KYXWUPHJSA-N -1 1 382.350 0.654 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573446181 948323749 /nfs/dbraw/zinc/32/37/49/948323749.db2.gz AIBRHACPWRRHSQ-TZMCWYRMSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573446181 948323761 /nfs/dbraw/zinc/32/37/61/948323761.db2.gz AIBRHACPWRRHSQ-TZMCWYRMSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)[C@H]1CCC(=O)N1 ZINC001573696542 948327731 /nfs/dbraw/zinc/32/77/31/948327731.db2.gz RVVVMLPIGXZRBP-GHMZBOCLSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573696542 948327737 /nfs/dbraw/zinc/32/77/37/948327737.db2.gz RVVVMLPIGXZRBP-GHMZBOCLSA-N -1 1 385.432 0.022 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573446491 948331641 /nfs/dbraw/zinc/33/16/41/948331641.db2.gz IAQRPNNBFFCGBI-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573446491 948331648 /nfs/dbraw/zinc/33/16/48/948331648.db2.gz IAQRPNNBFFCGBI-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573446608 948332974 /nfs/dbraw/zinc/33/29/74/948332974.db2.gz KJJHQCKRYSKYTK-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573446608 948332982 /nfs/dbraw/zinc/33/29/82/948332982.db2.gz KJJHQCKRYSKYTK-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccco1 ZINC001573696762 948333589 /nfs/dbraw/zinc/33/35/89/948333589.db2.gz WVDMXPFCJRHZDK-LPWJVIDDSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccco1 ZINC001573696762 948333595 /nfs/dbraw/zinc/33/35/95/948333595.db2.gz WVDMXPFCJRHZDK-LPWJVIDDSA-N -1 1 380.412 0.852 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573446692 948335183 /nfs/dbraw/zinc/33/51/83/948335183.db2.gz MXHQBOLWGFZWHM-CYBMUJFWSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573446692 948335191 /nfs/dbraw/zinc/33/51/91/948335191.db2.gz MXHQBOLWGFZWHM-CYBMUJFWSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573446725 948336764 /nfs/dbraw/zinc/33/67/64/948336764.db2.gz OGJDNEQQHSRRJY-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573446725 948336770 /nfs/dbraw/zinc/33/67/70/948336770.db2.gz OGJDNEQQHSRRJY-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573702539 948347344 /nfs/dbraw/zinc/34/73/44/948347344.db2.gz FCRJVIVQKSLCGV-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573702539 948347347 /nfs/dbraw/zinc/34/73/47/948347347.db2.gz FCRJVIVQKSLCGV-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573703124 948352157 /nfs/dbraw/zinc/35/21/57/948352157.db2.gz IESJSYJITOCMHB-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573704058 948364081 /nfs/dbraw/zinc/36/40/81/948364081.db2.gz ONESJNCLOAXXAL-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573704058 948364092 /nfs/dbraw/zinc/36/40/92/948364092.db2.gz ONESJNCLOAXXAL-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573704615 948378616 /nfs/dbraw/zinc/37/86/16/948378616.db2.gz TYHMQKWEVHRODP-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573704615 948378625 /nfs/dbraw/zinc/37/86/25/948378625.db2.gz TYHMQKWEVHRODP-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573704707 948380423 /nfs/dbraw/zinc/38/04/23/948380423.db2.gz CSYPKXWYFISCFB-DOMZBBRYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573704707 948380432 /nfs/dbraw/zinc/38/04/32/948380432.db2.gz CSYPKXWYFISCFB-DOMZBBRYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C1CCC1 ZINC001573704874 948385335 /nfs/dbraw/zinc/38/53/35/948385335.db2.gz BUDHCHIWXCAZEF-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C1CCC1 ZINC001573704874 948385341 /nfs/dbraw/zinc/38/53/41/948385341.db2.gz BUDHCHIWXCAZEF-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)C1CCC1 ZINC001573705060 948389242 /nfs/dbraw/zinc/38/92/42/948389242.db2.gz COKGEFAYKUXXEP-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)c1ccco1 ZINC001573705532 948401604 /nfs/dbraw/zinc/40/16/04/948401604.db2.gz FWUQUKHJLGSWNG-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)c1ccco1 ZINC001573705532 948401607 /nfs/dbraw/zinc/40/16/07/948401607.db2.gz FWUQUKHJLGSWNG-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM O=S(=O)(NCc1cccnc1OCC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826491837 948404326 /nfs/dbraw/zinc/40/43/26/948404326.db2.gz FAWRRLKHGGCPEI-UHFFFAOYSA-N -1 1 397.367 0.779 20 0 GCADMM O=S(=O)(NCc1cccnc1OCC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826491837 948404331 /nfs/dbraw/zinc/40/43/31/948404331.db2.gz FAWRRLKHGGCPEI-UHFFFAOYSA-N -1 1 397.367 0.779 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573705683 948406274 /nfs/dbraw/zinc/40/62/74/948406274.db2.gz IUBWMOHRTLAOMB-NWDGAFQWSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573705683 948406283 /nfs/dbraw/zinc/40/62/83/948406283.db2.gz IUBWMOHRTLAOMB-NWDGAFQWSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573706189 948413714 /nfs/dbraw/zinc/41/37/14/948413714.db2.gz KFSSCSLLPZCIES-CHWSQXEVSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573706189 948413720 /nfs/dbraw/zinc/41/37/20/948413720.db2.gz KFSSCSLLPZCIES-CHWSQXEVSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573706619 948423285 /nfs/dbraw/zinc/42/32/85/948423285.db2.gz JQRVUVCTASLWMB-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573706619 948423288 /nfs/dbraw/zinc/42/32/88/948423288.db2.gz JQRVUVCTASLWMB-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573706747 948424061 /nfs/dbraw/zinc/42/40/61/948424061.db2.gz LUNYSBRXTBOLDG-QWHCGFSZSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573706790 948424496 /nfs/dbraw/zinc/42/44/96/948424496.db2.gz LFBFGFGUAVAATE-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573706954 948426159 /nfs/dbraw/zinc/42/61/59/948426159.db2.gz LRXRTLYUQLLTCS-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573706954 948426165 /nfs/dbraw/zinc/42/61/65/948426165.db2.gz LRXRTLYUQLLTCS-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573707180 948430084 /nfs/dbraw/zinc/43/00/84/948430084.db2.gz MVLZEDKYQHVLPK-LBPRGKRZSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573707180 948430089 /nfs/dbraw/zinc/43/00/89/948430089.db2.gz MVLZEDKYQHVLPK-LBPRGKRZSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)n1cccc1 ZINC001573707780 948439097 /nfs/dbraw/zinc/43/90/97/948439097.db2.gz PTIZBNLURKWQJC-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)n1cccc1 ZINC001573707780 948439103 /nfs/dbraw/zinc/43/91/03/948439103.db2.gz PTIZBNLURKWQJC-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM CC(C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)=C1CCCC1 ZINC001573708074 948443037 /nfs/dbraw/zinc/44/30/37/948443037.db2.gz QZOKQWXJGSBMNH-CQSZACIVSA-N -1 1 384.444 0.869 20 0 GCADMM CC(C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)=C1CCCC1 ZINC001573708074 948443044 /nfs/dbraw/zinc/44/30/44/948443044.db2.gz QZOKQWXJGSBMNH-CQSZACIVSA-N -1 1 384.444 0.869 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573708261 948446588 /nfs/dbraw/zinc/44/65/88/948446588.db2.gz SHMJWGNTJDYPID-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573708261 948446594 /nfs/dbraw/zinc/44/65/94/948446594.db2.gz SHMJWGNTJDYPID-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(C)(F)F ZINC001573708853 948459324 /nfs/dbraw/zinc/45/93/24/948459324.db2.gz XXCDVDLWKHQGRP-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(C)(F)F ZINC001573708853 948459328 /nfs/dbraw/zinc/45/93/28/948459328.db2.gz XXCDVDLWKHQGRP-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)N(C)CC(F)(F)F ZINC001573713784 948467799 /nfs/dbraw/zinc/46/77/99/948467799.db2.gz BPZJCDIUJFMEKE-VIFPVBQESA-N -1 1 387.370 0.092 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)N(C)CC(F)(F)F ZINC001573713784 948467806 /nfs/dbraw/zinc/46/78/06/948467806.db2.gz BPZJCDIUJFMEKE-VIFPVBQESA-N -1 1 387.370 0.092 20 0 GCADMM C[C@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(Cl)cc1 ZINC001573716224 948497681 /nfs/dbraw/zinc/49/76/81/948497681.db2.gz DHESSQIRHOFPOB-VIFPVBQESA-N -1 1 389.803 0.702 20 0 GCADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1cccnc1 ZINC001573717116 948505084 /nfs/dbraw/zinc/50/50/84/948505084.db2.gz BRPWZVBZQIAGQN-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1cccnc1 ZINC001573717116 948505092 /nfs/dbraw/zinc/50/50/92/948505092.db2.gz BRPWZVBZQIAGQN-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(C)C ZINC001573721548 948539230 /nfs/dbraw/zinc/53/92/30/948539230.db2.gz YBNGUIAPKFWYCE-CYBMUJFWSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(C)C ZINC001573721548 948539238 /nfs/dbraw/zinc/53/92/38/948539238.db2.gz YBNGUIAPKFWYCE-CYBMUJFWSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573721334 948539544 /nfs/dbraw/zinc/53/95/44/948539544.db2.gz XVODFYBZACUIGB-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573721334 948539551 /nfs/dbraw/zinc/53/95/51/948539551.db2.gz XVODFYBZACUIGB-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccn1 ZINC001573726332 948550162 /nfs/dbraw/zinc/55/01/62/948550162.db2.gz IBIXLSIEXQDNFE-JHJVBQTASA-N -1 1 382.432 0.303 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573726814 948551527 /nfs/dbraw/zinc/55/15/27/948551527.db2.gz KUQMXVVBEMQKSB-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573726814 948551534 /nfs/dbraw/zinc/55/15/34/948551534.db2.gz KUQMXVVBEMQKSB-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573727971 948557502 /nfs/dbraw/zinc/55/75/02/948557502.db2.gz NZUWFCGPXMLUCB-FRRDWIJNSA-N -1 1 396.459 0.382 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573727971 948557506 /nfs/dbraw/zinc/55/75/06/948557506.db2.gz NZUWFCGPXMLUCB-FRRDWIJNSA-N -1 1 396.459 0.382 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573728151 948559487 /nfs/dbraw/zinc/55/94/87/948559487.db2.gz PKULLXXPIUGOPX-SGMGOOAPSA-N -1 1 379.428 0.584 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573729452 948567000 /nfs/dbraw/zinc/56/70/00/948567000.db2.gz TYHMQKWEVHRODP-WZRBSPASSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573729452 948567007 /nfs/dbraw/zinc/56/70/07/948567007.db2.gz TYHMQKWEVHRODP-WZRBSPASSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573729504 948569110 /nfs/dbraw/zinc/56/91/10/948569110.db2.gz UIHKDGBLFVTUQT-GRYCIOLGSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573729504 948569117 /nfs/dbraw/zinc/56/91/17/948569117.db2.gz UIHKDGBLFVTUQT-GRYCIOLGSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)n1cccn1 ZINC001573730009 948572862 /nfs/dbraw/zinc/57/28/62/948572862.db2.gz XREFMQNGPBPCJZ-FRRDWIJNSA-N -1 1 382.432 0.303 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccn1 ZINC001573730009 948572867 /nfs/dbraw/zinc/57/28/67/948572867.db2.gz XREFMQNGPBPCJZ-FRRDWIJNSA-N -1 1 382.432 0.303 20 0 GCADMM C[C@@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)n1nnc(-c2ccccc2)n1 ZINC001573730355 948579209 /nfs/dbraw/zinc/57/92/09/948579209.db2.gz OWYPLSCTPLUCAR-VIFPVBQESA-N -1 1 382.413 0.854 20 0 GCADMM C[C@@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)n1nnc(-c2ccccc2)n1 ZINC001573730355 948579215 /nfs/dbraw/zinc/57/92/15/948579215.db2.gz OWYPLSCTPLUCAR-VIFPVBQESA-N -1 1 382.413 0.854 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573730381 948581526 /nfs/dbraw/zinc/58/15/26/948581526.db2.gz PKULLXXPIUGOPX-YRGRVCCFSA-N -1 1 379.428 0.584 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573730947 948586137 /nfs/dbraw/zinc/58/61/37/948586137.db2.gz TYHMQKWEVHRODP-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573730947 948586141 /nfs/dbraw/zinc/58/61/41/948586141.db2.gz TYHMQKWEVHRODP-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573736093 948612156 /nfs/dbraw/zinc/61/21/56/948612156.db2.gz HTACGFYDDYCMCG-QJPTWQEYSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573736093 948612164 /nfs/dbraw/zinc/61/21/64/948612164.db2.gz HTACGFYDDYCMCG-QJPTWQEYSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573739645 948621137 /nfs/dbraw/zinc/62/11/37/948621137.db2.gz FWESVWMJHUKCRS-JTNHKYCSSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573739645 948621140 /nfs/dbraw/zinc/62/11/40/948621140.db2.gz FWESVWMJHUKCRS-JTNHKYCSSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573740056 948627577 /nfs/dbraw/zinc/62/75/77/948627577.db2.gz CTOXWNQUSZCQNL-NTZNESFSSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O)C1CC1 ZINC001573741000 948646590 /nfs/dbraw/zinc/64/65/90/948646590.db2.gz WIANSOJLHVHVEJ-ZQARSLAVSA-N -1 1 383.865 0.688 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O)C1CC1 ZINC001573741000 948646596 /nfs/dbraw/zinc/64/65/96/948646596.db2.gz WIANSOJLHVHVEJ-ZQARSLAVSA-N -1 1 383.865 0.688 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573741838 948658030 /nfs/dbraw/zinc/65/80/30/948658030.db2.gz FRFQEAFPOMHVDE-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573741838 948658040 /nfs/dbraw/zinc/65/80/40/948658040.db2.gz FRFQEAFPOMHVDE-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@H](CC(N)=O)c1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573742572 948662734 /nfs/dbraw/zinc/66/27/34/948662734.db2.gz MKBFZQDXNBMFPL-LDYMZIIASA-N -1 1 389.807 0.406 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H](C)n1cncn1 ZINC001573742582 948663237 /nfs/dbraw/zinc/66/32/37/948663237.db2.gz MVCSPNWTTXUUJR-RQJHMYQMSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573743154 948667395 /nfs/dbraw/zinc/66/73/95/948667395.db2.gz ZEUFJISNJHWKFF-RKDXNWHRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573743154 948667399 /nfs/dbraw/zinc/66/73/99/948667399.db2.gz ZEUFJISNJHWKFF-RKDXNWHRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1cnn(C)c1 ZINC001573746471 948682128 /nfs/dbraw/zinc/68/21/28/948682128.db2.gz MEIKJSFRABJZTC-LOWVWBTDSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1cnn(C)c1 ZINC001573746471 948682132 /nfs/dbraw/zinc/68/21/32/948682132.db2.gz MEIKJSFRABJZTC-LOWVWBTDSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573746464 948682172 /nfs/dbraw/zinc/68/21/72/948682172.db2.gz MAWJBRCBOINJGH-IHRRRGAJSA-N -1 1 381.444 0.981 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573746541 948683765 /nfs/dbraw/zinc/68/37/65/948683765.db2.gz NWXWGGXJHOYLLG-JHJVBQTASA-N -1 1 382.432 0.376 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573747479 948691837 /nfs/dbraw/zinc/69/18/37/948691837.db2.gz VHCNNWJVHOMSJP-AAVRWANBSA-N -1 1 386.460 0.733 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001574416371 948746443 /nfs/dbraw/zinc/74/64/43/948746443.db2.gz SHUZGPVWECLZKW-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001574416371 948746451 /nfs/dbraw/zinc/74/64/51/948746451.db2.gz SHUZGPVWECLZKW-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CC1 ZINC001575222744 948758344 /nfs/dbraw/zinc/75/83/44/948758344.db2.gz IPDAHGQDBCCULJ-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CC1 ZINC001575222744 948758355 /nfs/dbraw/zinc/75/83/55/948758355.db2.gz IPDAHGQDBCCULJ-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC[C@H]1CCCO1 ZINC001574678801 948758959 /nfs/dbraw/zinc/75/89/59/948758959.db2.gz IYVFAWBBKXEHTI-VXGBXAGGSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC[C@H]1CCCO1 ZINC001574678801 948758974 /nfs/dbraw/zinc/75/89/74/948758974.db2.gz IYVFAWBBKXEHTI-VXGBXAGGSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574914902 948761609 /nfs/dbraw/zinc/76/16/09/948761609.db2.gz OVTMTSHRRBSYQG-LLVKDONJSA-N -1 1 383.416 0.554 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574914902 948761623 /nfs/dbraw/zinc/76/16/23/948761623.db2.gz OVTMTSHRRBSYQG-LLVKDONJSA-N -1 1 383.416 0.554 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574679013 948763341 /nfs/dbraw/zinc/76/33/41/948763341.db2.gz LUFMZGKWVAFCHO-WDEREUQCSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574679013 948763355 /nfs/dbraw/zinc/76/33/55/948763355.db2.gz LUFMZGKWVAFCHO-WDEREUQCSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574679049 948766096 /nfs/dbraw/zinc/76/60/96/948766096.db2.gz MIVRNXAHGXCGID-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574679049 948766105 /nfs/dbraw/zinc/76/61/05/948766105.db2.gz MIVRNXAHGXCGID-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM CC(F)(F)CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575223816 948770962 /nfs/dbraw/zinc/77/09/62/948770962.db2.gz GAMZBWGUNRTGAD-UHFFFAOYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574418177 948772324 /nfs/dbraw/zinc/77/23/24/948772324.db2.gz UVFXBDNASZQPMO-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574418177 948772337 /nfs/dbraw/zinc/77/23/37/948772337.db2.gz UVFXBDNASZQPMO-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575223969 948774931 /nfs/dbraw/zinc/77/49/31/948774931.db2.gz QZQHUTSXIUQJGT-JTQLQIEISA-N -1 1 378.387 0.917 20 0 GCADMM CC(C)[C@@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)c1nncn1C ZINC001574079967 948779390 /nfs/dbraw/zinc/77/93/90/948779390.db2.gz MIJPMHWBNHYOFN-LLVKDONJSA-N -1 1 382.475 0.873 20 0 GCADMM C[C@@H](C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756044 948792568 /nfs/dbraw/zinc/79/25/68/948792568.db2.gz LMSATYYTEKKPBI-ZETCQYMHSA-N -1 1 380.365 0.201 20 0 GCADMM CC(F)(F)CC(=O)NC1(CO)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575225092 948798084 /nfs/dbraw/zinc/79/80/84/948798084.db2.gz WCCCLHSKNFOVEO-UHFFFAOYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)NC1(CO)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575225092 948798096 /nfs/dbraw/zinc/79/80/96/948798096.db2.gz WCCCLHSKNFOVEO-UHFFFAOYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575224978 948798173 /nfs/dbraw/zinc/79/81/73/948798173.db2.gz VCYQTYKFLLBRFA-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575224978 948798185 /nfs/dbraw/zinc/79/81/85/948798185.db2.gz VCYQTYKFLLBRFA-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574420588 948799965 /nfs/dbraw/zinc/79/99/65/948799965.db2.gz ZHHUCALMQCVZJH-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574420588 948799976 /nfs/dbraw/zinc/79/99/76/948799976.db2.gz ZHHUCALMQCVZJH-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575225366 948800947 /nfs/dbraw/zinc/80/09/47/948800947.db2.gz YWOXNJVYKKUTSQ-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575225366 948800968 /nfs/dbraw/zinc/80/09/68/948800968.db2.gz YWOXNJVYKKUTSQ-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccnc1N(C)C ZINC001574681378 948816974 /nfs/dbraw/zinc/81/69/74/948816974.db2.gz MJNIEMHKHBUGDL-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccnc1N(C)C ZINC001574681378 948816999 /nfs/dbraw/zinc/81/69/99/948816999.db2.gz MJNIEMHKHBUGDL-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COC[C@@H]1CCCO1 ZINC001574681342 948817491 /nfs/dbraw/zinc/81/74/91/948817491.db2.gz LRSODLJGNXJXHQ-RYUDHWBXSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COC[C@@H]1CCCO1 ZINC001574681342 948817508 /nfs/dbraw/zinc/81/75/08/948817508.db2.gz LRSODLJGNXJXHQ-RYUDHWBXSA-N -1 1 376.421 0.159 20 0 GCADMM CC(F)(F)CC(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575226292 948819263 /nfs/dbraw/zinc/81/92/63/948819263.db2.gz LLLDLWVRNCYXAP-UHFFFAOYSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)CC(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575226292 948819283 /nfs/dbraw/zinc/81/92/83/948819283.db2.gz LLLDLWVRNCYXAP-UHFFFAOYSA-N -1 1 382.375 0.467 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574421829 948822314 /nfs/dbraw/zinc/82/23/14/948822314.db2.gz QZKWEGROEVJYCP-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574421829 948822325 /nfs/dbraw/zinc/82/23/25/948822325.db2.gz QZKWEGROEVJYCP-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575227068 948826418 /nfs/dbraw/zinc/82/64/18/948826418.db2.gz RLYMSTKGQZBUPM-OAHLLOKOSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575227068 948826435 /nfs/dbraw/zinc/82/64/35/948826435.db2.gz RLYMSTKGQZBUPM-OAHLLOKOSA-N -1 1 382.375 0.467 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1ccncc1 ZINC001574682608 948830402 /nfs/dbraw/zinc/83/04/02/948830402.db2.gz QYPBAJULXSTWTG-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1ccncc1 ZINC001574682608 948830419 /nfs/dbraw/zinc/83/04/19/948830419.db2.gz QYPBAJULXSTWTG-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574682757 948832789 /nfs/dbraw/zinc/83/27/89/948832789.db2.gz RCTCCEIBEIIHCV-WCFLWFBJSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574682757 948832809 /nfs/dbraw/zinc/83/28/09/948832809.db2.gz RCTCCEIBEIIHCV-WCFLWFBJSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1ccncc1 ZINC001574682607 948833774 /nfs/dbraw/zinc/83/37/74/948833774.db2.gz QYPBAJULXSTWTG-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1ccncc1 ZINC001574682607 948833797 /nfs/dbraw/zinc/83/37/97/948833797.db2.gz QYPBAJULXSTWTG-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574683098 948839309 /nfs/dbraw/zinc/83/93/09/948839309.db2.gz ULKZMMWAQIAEDC-SSDOTTSWSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574683098 948839328 /nfs/dbraw/zinc/83/93/28/948839328.db2.gz ULKZMMWAQIAEDC-SSDOTTSWSA-N -1 1 378.347 0.938 20 0 GCADMM CC(C)c1ccsc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574424125 948845121 /nfs/dbraw/zinc/84/51/21/948845121.db2.gz FTKFWAJJEWNMHM-JTQLQIEISA-N -1 1 388.457 0.466 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574424733 948858073 /nfs/dbraw/zinc/85/80/73/948858073.db2.gz SVUOSLDYEXLRPP-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574424733 948858095 /nfs/dbraw/zinc/85/80/95/948858095.db2.gz SVUOSLDYEXLRPP-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@@H](CNC(=O)CCCOc1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574918818 948858634 /nfs/dbraw/zinc/85/86/34/948858634.db2.gz QZNBYDKGGDMVDB-LBPRGKRZSA-N -1 1 383.416 0.828 20 0 GCADMM C[C@@H](CNC(=O)CCCOc1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574918818 948858655 /nfs/dbraw/zinc/85/86/55/948858655.db2.gz QZNBYDKGGDMVDB-LBPRGKRZSA-N -1 1 383.416 0.828 20 0 GCADMM CC(C)(C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573762717 948860157 /nfs/dbraw/zinc/86/01/57/948860157.db2.gz ZJPGPCBOPJNAJD-SECBINFHSA-N -1 1 384.366 0.928 20 0 GCADMM C[C@H](CNC(=O)CCCOc1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574918817 948861495 /nfs/dbraw/zinc/86/14/95/948861495.db2.gz QZNBYDKGGDMVDB-GFCCVEGCSA-N -1 1 383.416 0.828 20 0 GCADMM C[C@H](CNC(=O)CCCOc1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574918817 948861506 /nfs/dbraw/zinc/86/15/06/948861506.db2.gz QZNBYDKGGDMVDB-GFCCVEGCSA-N -1 1 383.416 0.828 20 0 GCADMM CC(F)(F)CC(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001575233463 948882014 /nfs/dbraw/zinc/88/20/14/948882014.db2.gz ITCGYEXYSDUPCP-CQSZACIVSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001575233463 948882031 /nfs/dbraw/zinc/88/20/31/948882031.db2.gz ITCGYEXYSDUPCP-CQSZACIVSA-N -1 1 382.375 0.414 20 0 GCADMM CC[C@@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1OCC(=O)N(C)C ZINC001589569579 948902625 /nfs/dbraw/zinc/90/26/25/948902625.db2.gz YLSBCEDFLOXYSB-HUUCEWRRSA-N -1 1 377.441 0.880 20 0 GCADMM CC(C)c1ncc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001574427587 948908160 /nfs/dbraw/zinc/90/81/60/948908160.db2.gz HYJDAAVOTDXACB-UHFFFAOYSA-N -1 1 376.402 0.139 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427727 948910270 /nfs/dbraw/zinc/91/02/70/948910270.db2.gz MKSQGHQGWVWBOU-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427727 948910281 /nfs/dbraw/zinc/91/02/81/948910281.db2.gz MKSQGHQGWVWBOU-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427726 948911607 /nfs/dbraw/zinc/91/16/07/948911607.db2.gz MKSQGHQGWVWBOU-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427726 948911622 /nfs/dbraw/zinc/91/16/22/948911622.db2.gz MKSQGHQGWVWBOU-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)(C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573765554 948912085 /nfs/dbraw/zinc/91/20/85/948912085.db2.gz NKWAYJZQGFGKQD-VIFPVBQESA-N -1 1 382.375 0.587 20 0 GCADMM CC(C)(C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573765554 948912100 /nfs/dbraw/zinc/91/21/00/948912100.db2.gz NKWAYJZQGFGKQD-VIFPVBQESA-N -1 1 382.375 0.587 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088310 948916571 /nfs/dbraw/zinc/91/65/71/948916571.db2.gz ATFFSPHHBHIUNG-OLZOCXBDSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088310 948916583 /nfs/dbraw/zinc/91/65/83/948916583.db2.gz ATFFSPHHBHIUNG-OLZOCXBDSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088311 948916816 /nfs/dbraw/zinc/91/68/16/948916816.db2.gz ATFFSPHHBHIUNG-QWHCGFSZSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088311 948916835 /nfs/dbraw/zinc/91/68/35/948916835.db2.gz ATFFSPHHBHIUNG-QWHCGFSZSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCCO1 ZINC001573765693 948920113 /nfs/dbraw/zinc/92/01/13/948920113.db2.gz XUEBZVBJJBRHMB-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCCO1 ZINC001573765693 948920122 /nfs/dbraw/zinc/92/01/22/948920122.db2.gz XUEBZVBJJBRHMB-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574432767 948938106 /nfs/dbraw/zinc/93/81/06/948938106.db2.gz DBEPHOWIEFNQFP-XYPYZODXSA-N -1 1 382.432 0.887 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574432767 948938115 /nfs/dbraw/zinc/93/81/15/948938115.db2.gz DBEPHOWIEFNQFP-XYPYZODXSA-N -1 1 382.432 0.887 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574432765 948939455 /nfs/dbraw/zinc/93/94/55/948939455.db2.gz DBEPHOWIEFNQFP-PHIMTYICSA-N -1 1 382.432 0.887 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574432765 948939468 /nfs/dbraw/zinc/93/94/68/948939468.db2.gz DBEPHOWIEFNQFP-PHIMTYICSA-N -1 1 382.432 0.887 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574432910 948941880 /nfs/dbraw/zinc/94/18/80/948941880.db2.gz PCUGLRKPFVIHNO-LLVKDONJSA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574432910 948941891 /nfs/dbraw/zinc/94/18/91/948941891.db2.gz PCUGLRKPFVIHNO-LLVKDONJSA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574432920 948943721 /nfs/dbraw/zinc/94/37/21/948943721.db2.gz PHESBTGTOBLDOV-XYPYZODXSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574432920 948943727 /nfs/dbraw/zinc/94/37/27/948943727.db2.gz PHESBTGTOBLDOV-XYPYZODXSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574432957 948944590 /nfs/dbraw/zinc/94/45/90/948944590.db2.gz QMKGIYBVRCEHCP-LLVKDONJSA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574432957 948944604 /nfs/dbraw/zinc/94/46/04/948944604.db2.gz QMKGIYBVRCEHCP-LLVKDONJSA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574432985 948944740 /nfs/dbraw/zinc/94/47/40/948944740.db2.gz RSAJVLBRFZMUAT-LLVKDONJSA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574432985 948944752 /nfs/dbraw/zinc/94/47/52/948944752.db2.gz RSAJVLBRFZMUAT-LLVKDONJSA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574433101 948945849 /nfs/dbraw/zinc/94/58/49/948945849.db2.gz GRACUUQMYGMMSH-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574433101 948945864 /nfs/dbraw/zinc/94/58/64/948945864.db2.gz GRACUUQMYGMMSH-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433116 948946536 /nfs/dbraw/zinc/94/65/36/948946536.db2.gz HOULNTOBYSFZKP-NSHDSACASA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433116 948946546 /nfs/dbraw/zinc/94/65/46/948946546.db2.gz HOULNTOBYSFZKP-NSHDSACASA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574433449 948957890 /nfs/dbraw/zinc/95/78/90/948957890.db2.gz NSPNNBOWMBNBSM-LLVKDONJSA-N -1 1 384.448 0.768 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574433449 948957903 /nfs/dbraw/zinc/95/79/03/948957903.db2.gz NSPNNBOWMBNBSM-LLVKDONJSA-N -1 1 384.448 0.768 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574433629 948959019 /nfs/dbraw/zinc/95/90/19/948959019.db2.gz ZJNKTIJUMNDHHJ-PHIMTYICSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574433629 948959030 /nfs/dbraw/zinc/95/90/30/948959030.db2.gz ZJNKTIJUMNDHHJ-PHIMTYICSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433594 948960646 /nfs/dbraw/zinc/96/06/46/948960646.db2.gz XVRIAUSGLRRJFS-QWRGUYRKSA-N -1 1 382.432 0.611 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575239589 948964624 /nfs/dbraw/zinc/96/46/24/948964624.db2.gz UYGSALHLVKMOGB-NXEZZACHSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)c1ncsc1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574433906 948969927 /nfs/dbraw/zinc/96/99/27/948969927.db2.gz VHGWVWUAVFXILS-UHFFFAOYSA-N -1 1 391.417 0.531 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574433931 948969995 /nfs/dbraw/zinc/96/99/95/948969995.db2.gz WPWJPFJRNNJUBH-NSHDSACASA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574433931 948970010 /nfs/dbraw/zinc/97/00/10/948970010.db2.gz WPWJPFJRNNJUBH-NSHDSACASA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574926073 948983868 /nfs/dbraw/zinc/98/38/68/948983868.db2.gz HTKCMOJBIWLZMT-ZDUSSCGKSA-N -1 1 381.444 0.734 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574926073 948983877 /nfs/dbraw/zinc/98/38/77/948983877.db2.gz HTKCMOJBIWLZMT-ZDUSSCGKSA-N -1 1 381.444 0.734 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573773569 948985906 /nfs/dbraw/zinc/98/59/06/948985906.db2.gz MAGYZFOCQZRUGF-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926176 948988201 /nfs/dbraw/zinc/98/82/01/948988201.db2.gz KCTXUIBXXYAWHM-GFCCVEGCSA-N -1 1 387.448 0.000 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926176 948988210 /nfs/dbraw/zinc/98/82/10/948988210.db2.gz KCTXUIBXXYAWHM-GFCCVEGCSA-N -1 1 387.448 0.000 20 0 GCADMM CC(C)c1nnc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001574434969 948988972 /nfs/dbraw/zinc/98/89/72/948988972.db2.gz NNFCLCCOKZQMBX-UHFFFAOYSA-N -1 1 377.390 0.133 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573773754 948993598 /nfs/dbraw/zinc/99/35/98/948993598.db2.gz GVAPWSRUOGQLOH-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573773754 948993611 /nfs/dbraw/zinc/99/36/11/948993611.db2.gz GVAPWSRUOGQLOH-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574689979 948994648 /nfs/dbraw/zinc/99/46/48/948994648.db2.gz MYUVMTHCFHEJHW-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574689979 948994666 /nfs/dbraw/zinc/99/46/66/948994666.db2.gz MYUVMTHCFHEJHW-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574690712 949004877 /nfs/dbraw/zinc/00/48/77/949004877.db2.gz QDEAPPDDRIYSLL-MNOVXSKESA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574690712 949004938 /nfs/dbraw/zinc/00/49/38/949004938.db2.gz QDEAPPDDRIYSLL-MNOVXSKESA-N -1 1 382.432 0.492 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574439520 949007845 /nfs/dbraw/zinc/00/78/45/949007845.db2.gz GLZZFUOXQQAELK-UHFFFAOYSA-N -1 1 388.461 0.840 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575501394 949010515 /nfs/dbraw/zinc/01/05/15/949010515.db2.gz HLZHGQQWLVQOSG-VXGBXAGGSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575501394 949010531 /nfs/dbraw/zinc/01/05/31/949010531.db2.gz HLZHGQQWLVQOSG-VXGBXAGGSA-N -1 1 381.400 0.214 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574439796 949010850 /nfs/dbraw/zinc/01/08/50/949010850.db2.gz ISEAHVYSKJLKAQ-SECBINFHSA-N -1 1 386.445 0.640 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574439796 949010866 /nfs/dbraw/zinc/01/08/66/949010866.db2.gz ISEAHVYSKJLKAQ-SECBINFHSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575501391 949012357 /nfs/dbraw/zinc/01/23/57/949012357.db2.gz HLZHGQQWLVQOSG-NWDGAFQWSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575501391 949012378 /nfs/dbraw/zinc/01/23/78/949012378.db2.gz HLZHGQQWLVQOSG-NWDGAFQWSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574691057 949012359 /nfs/dbraw/zinc/01/23/59/949012359.db2.gz SRAAHDMHVCEHHR-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574691057 949012376 /nfs/dbraw/zinc/01/23/76/949012376.db2.gz SRAAHDMHVCEHHR-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CNC(=O)CN1CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574926601 949012903 /nfs/dbraw/zinc/01/29/03/949012903.db2.gz AOOJXCMESGYCOO-GFCCVEGCSA-N -1 1 379.428 0.058 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573774509 949013825 /nfs/dbraw/zinc/01/38/25/949013825.db2.gz TUUXSYUCLYMKDX-CYBMUJFWSA-N -1 1 379.428 0.724 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573774509 949013845 /nfs/dbraw/zinc/01/38/45/949013845.db2.gz TUUXSYUCLYMKDX-CYBMUJFWSA-N -1 1 379.428 0.724 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575502202 949016818 /nfs/dbraw/zinc/01/68/18/949016818.db2.gz ILXREQQYMAAQSV-LLVKDONJSA-N -1 1 381.400 0.580 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575502202 949016839 /nfs/dbraw/zinc/01/68/39/949016839.db2.gz ILXREQQYMAAQSV-LLVKDONJSA-N -1 1 381.400 0.580 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575502203 949017799 /nfs/dbraw/zinc/01/77/99/949017799.db2.gz ILXREQQYMAAQSV-NSHDSACASA-N -1 1 381.400 0.580 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575502203 949017826 /nfs/dbraw/zinc/01/78/26/949017826.db2.gz ILXREQQYMAAQSV-NSHDSACASA-N -1 1 381.400 0.580 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574926812 949023207 /nfs/dbraw/zinc/02/32/07/949023207.db2.gz XXOUIJFPYRIAFI-CYBMUJFWSA-N -1 1 381.444 0.379 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001573774987 949024361 /nfs/dbraw/zinc/02/43/61/949024361.db2.gz RARBWKLZUALPIA-VXGBXAGGSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001573774987 949024382 /nfs/dbraw/zinc/02/43/82/949024382.db2.gz RARBWKLZUALPIA-VXGBXAGGSA-N -1 1 390.448 0.141 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575245887 949028400 /nfs/dbraw/zinc/02/84/00/949028400.db2.gz FIYUWSUEEBFNMN-JTQLQIEISA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575245887 949028422 /nfs/dbraw/zinc/02/84/22/949028422.db2.gz FIYUWSUEEBFNMN-JTQLQIEISA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574440487 949028978 /nfs/dbraw/zinc/02/89/78/949028978.db2.gz QBUITVLDQGLXNN-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574440487 949028997 /nfs/dbraw/zinc/02/89/97/949028997.db2.gz QBUITVLDQGLXNN-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574091800 949030385 /nfs/dbraw/zinc/03/03/85/949030385.db2.gz PAZMIRUQZLVXSK-STQMWFEESA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574091800 949030405 /nfs/dbraw/zinc/03/04/05/949030405.db2.gz PAZMIRUQZLVXSK-STQMWFEESA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001575503014 949037736 /nfs/dbraw/zinc/03/77/36/949037736.db2.gz MRZHIXPTWRVVAM-ZCFIWIBFSA-N -1 1 387.433 0.908 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574440851 949039221 /nfs/dbraw/zinc/03/92/21/949039221.db2.gz WOOOBHFYPNXEAM-IUCAKERBSA-N -1 1 388.461 0.672 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574927208 949040181 /nfs/dbraw/zinc/04/01/81/949040181.db2.gz HHLOASFVARSUJA-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574927208 949040161 /nfs/dbraw/zinc/04/01/61/949040161.db2.gz HHLOASFVARSUJA-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574692972 949045079 /nfs/dbraw/zinc/04/50/79/949045079.db2.gz FFCVZLCJLALCAX-STQMWFEESA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574692969 949047575 /nfs/dbraw/zinc/04/75/75/949047575.db2.gz FFCVZLCJLALCAX-CHWSQXEVSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575503383 949050798 /nfs/dbraw/zinc/05/07/98/949050798.db2.gz PJMHMNCZZLPBQT-NWDGAFQWSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575503383 949050817 /nfs/dbraw/zinc/05/08/17/949050817.db2.gz PJMHMNCZZLPBQT-NWDGAFQWSA-N -1 1 381.400 0.214 20 0 GCADMM CC(C)c1occc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574441200 949051820 /nfs/dbraw/zinc/05/18/20/949051820.db2.gz HORFOYJMJXKNFU-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM CC(C)c1occc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574441200 949051841 /nfs/dbraw/zinc/05/18/41/949051841.db2.gz HORFOYJMJXKNFU-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574441170 949054510 /nfs/dbraw/zinc/05/45/10/949054510.db2.gz GRRQQXVIXGFPQP-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574441170 949054530 /nfs/dbraw/zinc/05/45/30/949054530.db2.gz GRRQQXVIXGFPQP-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnn(C)n1 ZINC001574693391 949056822 /nfs/dbraw/zinc/05/68/22/949056822.db2.gz GXBISLMYJYILRS-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnn(C)n1 ZINC001574693391 949056834 /nfs/dbraw/zinc/05/68/34/949056834.db2.gz GXBISLMYJYILRS-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574928619 949058816 /nfs/dbraw/zinc/05/88/16/949058816.db2.gz PRBNWCDYLBTBOC-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574928619 949058830 /nfs/dbraw/zinc/05/88/30/949058830.db2.gz PRBNWCDYLBTBOC-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575504037 949059577 /nfs/dbraw/zinc/05/95/77/949059577.db2.gz QYUMMTMHZKJJTI-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575504037 949059601 /nfs/dbraw/zinc/05/96/01/949059601.db2.gz QYUMMTMHZKJJTI-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441636 949065501 /nfs/dbraw/zinc/06/55/01/949065501.db2.gz QGKQNLKLMSDXKR-XYPYZODXSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574928968 949066827 /nfs/dbraw/zinc/06/68/27/949066827.db2.gz UPRFHJHNPHCDLK-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574928968 949066809 /nfs/dbraw/zinc/06/68/09/949066809.db2.gz UPRFHJHNPHCDLK-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574928960 949069010 /nfs/dbraw/zinc/06/90/10/949069010.db2.gz ULAJACJYLWFXPD-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574928960 949069031 /nfs/dbraw/zinc/06/90/31/949069031.db2.gz ULAJACJYLWFXPD-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574441740 949070315 /nfs/dbraw/zinc/07/03/15/949070315.db2.gz VKHZFOVYPCONLK-IWIIMEHWSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574441740 949070331 /nfs/dbraw/zinc/07/03/31/949070331.db2.gz VKHZFOVYPCONLK-IWIIMEHWSA-N -1 1 381.400 0.633 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575248398 949071046 /nfs/dbraw/zinc/07/10/46/949071046.db2.gz RKEFURBEELICKS-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575248398 949071029 /nfs/dbraw/zinc/07/10/29/949071029.db2.gz RKEFURBEELICKS-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NC/C=C\CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575504478 949071725 /nfs/dbraw/zinc/07/17/25/949071725.db2.gz VMMUCUVOKYPSKO-DLGQBQFBSA-N -1 1 381.400 0.025 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575248657 949074228 /nfs/dbraw/zinc/07/42/28/949074228.db2.gz UWGPUZHJNSPVRH-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575248657 949074207 /nfs/dbraw/zinc/07/42/07/949074207.db2.gz UWGPUZHJNSPVRH-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1c[nH]cn1 ZINC001573779900 949074806 /nfs/dbraw/zinc/07/48/06/949074806.db2.gz PFBOBAHPTITEPF-NSHDSACASA-N -1 1 382.432 0.443 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575504443 949075652 /nfs/dbraw/zinc/07/56/52/949075652.db2.gz UOQYICSBSMSWLD-NWDGAFQWSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575504443 949075670 /nfs/dbraw/zinc/07/56/70/949075670.db2.gz UOQYICSBSMSWLD-NWDGAFQWSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694687 949088180 /nfs/dbraw/zinc/08/81/80/949088180.db2.gz UMPUCRDRINNVHI-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694687 949088200 /nfs/dbraw/zinc/08/82/00/949088200.db2.gz UMPUCRDRINNVHI-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574929466 949091091 /nfs/dbraw/zinc/09/10/91/949091091.db2.gz DTWILDZOVVJHOZ-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574929466 949091111 /nfs/dbraw/zinc/09/11/11/949091111.db2.gz DTWILDZOVVJHOZ-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575249617 949101739 /nfs/dbraw/zinc/10/17/39/949101739.db2.gz ZNEJBHWDWVUBHX-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575249617 949101747 /nfs/dbraw/zinc/10/17/47/949101747.db2.gz ZNEJBHWDWVUBHX-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)n1 ZINC001574695186 949104293 /nfs/dbraw/zinc/10/42/93/949104293.db2.gz DSGBNXWIXGQNFM-GFCCVEGCSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)n1 ZINC001574695186 949104304 /nfs/dbraw/zinc/10/43/04/949104304.db2.gz DSGBNXWIXGQNFM-GFCCVEGCSA-N -1 1 384.448 0.984 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574930659 949106564 /nfs/dbraw/zinc/10/65/64/949106564.db2.gz LEYDXBKFUGOUBT-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574930659 949106574 /nfs/dbraw/zinc/10/65/74/949106574.db2.gz LEYDXBKFUGOUBT-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574093604 949111294 /nfs/dbraw/zinc/11/12/94/949111294.db2.gz WNDUCGXSLWSYGE-KGLIPLIRSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574093604 949111306 /nfs/dbraw/zinc/11/13/06/949111306.db2.gz WNDUCGXSLWSYGE-KGLIPLIRSA-N -1 1 385.476 0.187 20 0 GCADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574930733 949111481 /nfs/dbraw/zinc/11/14/81/949111481.db2.gz MFAIYLPWQHQWCV-NWDGAFQWSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574930733 949111466 /nfs/dbraw/zinc/11/14/66/949111466.db2.gz MFAIYLPWQHQWCV-NWDGAFQWSA-N -1 1 376.421 0.017 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574093605 949112243 /nfs/dbraw/zinc/11/22/43/949112243.db2.gz WNDUCGXSLWSYGE-UONOGXRCSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574093605 949112255 /nfs/dbraw/zinc/11/22/55/949112255.db2.gz WNDUCGXSLWSYGE-UONOGXRCSA-N -1 1 385.476 0.187 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574695397 949112421 /nfs/dbraw/zinc/11/24/21/949112421.db2.gz GZMYSNQHUXIHLJ-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574695397 949112436 /nfs/dbraw/zinc/11/24/36/949112436.db2.gz GZMYSNQHUXIHLJ-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574695448 949112516 /nfs/dbraw/zinc/11/25/16/949112516.db2.gz HQIBDWKNOFMQBL-SECBINFHSA-N -1 1 386.424 0.019 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574695448 949112527 /nfs/dbraw/zinc/11/25/27/949112527.db2.gz HQIBDWKNOFMQBL-SECBINFHSA-N -1 1 386.424 0.019 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn(CC(F)F)n1 ZINC001574695405 949113308 /nfs/dbraw/zinc/11/33/08/949113308.db2.gz HBYGISNONYQRPE-SECBINFHSA-N -1 1 392.374 0.739 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn(CC(F)F)n1 ZINC001574695405 949113315 /nfs/dbraw/zinc/11/33/15/949113315.db2.gz HBYGISNONYQRPE-SECBINFHSA-N -1 1 392.374 0.739 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575250697 949114044 /nfs/dbraw/zinc/11/40/44/949114044.db2.gz GKSYETSBNKRLTC-NWDGAFQWSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575250697 949114054 /nfs/dbraw/zinc/11/40/54/949114054.db2.gz GKSYETSBNKRLTC-NWDGAFQWSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncc2n1CCCC2 ZINC001574695840 949116620 /nfs/dbraw/zinc/11/66/20/949116620.db2.gz KJVULFFZPGNDJC-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncc2n1CCCC2 ZINC001574695840 949116630 /nfs/dbraw/zinc/11/66/30/949116630.db2.gz KJVULFFZPGNDJC-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C(N)=O ZINC001575510125 949120049 /nfs/dbraw/zinc/12/00/49/949120049.db2.gz GJFCMNLHBZNCGJ-BXKDBHETSA-N -1 1 392.466 0.864 20 0 GCADMM CC(C)c1ocnc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574446417 949126684 /nfs/dbraw/zinc/12/66/84/949126684.db2.gz PHWTZBJSVJUNFL-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1ocnc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574446417 949126706 /nfs/dbraw/zinc/12/67/06/949126706.db2.gz PHWTZBJSVJUNFL-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM C[C@H](CNC(=O)CO[C@@H]1CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574932173 949129154 /nfs/dbraw/zinc/12/91/54/949129154.db2.gz VMCLJCSEIYWAGA-HTQZYQBOSA-N -1 1 387.853 0.699 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574094119 949129159 /nfs/dbraw/zinc/12/91/59/949129159.db2.gz XLZFATUVHHEERZ-STQMWFEESA-N -1 1 386.460 0.448 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCC1 ZINC001573782727 949129436 /nfs/dbraw/zinc/12/94/36/949129436.db2.gz WNBCNKJCIUEODE-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCC1 ZINC001573782727 949129459 /nfs/dbraw/zinc/12/94/59/949129459.db2.gz WNBCNKJCIUEODE-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCCO1 ZINC001573782774 949131908 /nfs/dbraw/zinc/13/19/08/949131908.db2.gz JIMCRQOJENTAAJ-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCCO1 ZINC001573782774 949131924 /nfs/dbraw/zinc/13/19/24/949131924.db2.gz JIMCRQOJENTAAJ-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573782880 949136267 /nfs/dbraw/zinc/13/62/67/949136267.db2.gz ZDJGKGQHMMLCFZ-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573782880 949136273 /nfs/dbraw/zinc/13/62/73/949136273.db2.gz ZDJGKGQHMMLCFZ-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574094437 949136574 /nfs/dbraw/zinc/13/65/74/949136574.db2.gz WBXLXWFGUWTEBR-KBPBESRZSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc2nc[nH]c2n1 ZINC001574696638 949137120 /nfs/dbraw/zinc/13/71/20/949137120.db2.gz STFREYSUDVCWPP-SECBINFHSA-N -1 1 379.388 0.549 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc2nc[nH]c2n1 ZINC001574696638 949137133 /nfs/dbraw/zinc/13/71/33/949137133.db2.gz STFREYSUDVCWPP-SECBINFHSA-N -1 1 379.388 0.549 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001574446652 949138336 /nfs/dbraw/zinc/13/83/36/949138336.db2.gz VCAJNUMMNCWSOB-NEPJUHHUSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001574446652 949138348 /nfs/dbraw/zinc/13/83/48/949138348.db2.gz VCAJNUMMNCWSOB-NEPJUHHUSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574696663 949139193 /nfs/dbraw/zinc/13/91/93/949139193.db2.gz UBRBAXHGRHFDAJ-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574696663 949139202 /nfs/dbraw/zinc/13/92/02/949139202.db2.gz UBRBAXHGRHFDAJ-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C)c1C(F)F ZINC001574697056 949146186 /nfs/dbraw/zinc/14/61/86/949146186.db2.gz XTSKBXFQJCHZTJ-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C)c1C(F)F ZINC001574697056 949146201 /nfs/dbraw/zinc/14/62/01/949146201.db2.gz XTSKBXFQJCHZTJ-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001574095431 949148325 /nfs/dbraw/zinc/14/83/25/949148325.db2.gz YEWOSYCORRGNKA-HIFRSBDPSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001574095431 949148333 /nfs/dbraw/zinc/14/83/33/949148333.db2.gz YEWOSYCORRGNKA-HIFRSBDPSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574697160 949149368 /nfs/dbraw/zinc/14/93/68/949149368.db2.gz ZHFRTUYMXLYUHV-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574697160 949149381 /nfs/dbraw/zinc/14/93/81/949149381.db2.gz ZHFRTUYMXLYUHV-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574934097 949150708 /nfs/dbraw/zinc/15/07/08/949150708.db2.gz BSCYRZSSKIKQCX-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574934097 949150723 /nfs/dbraw/zinc/15/07/23/949150723.db2.gz BSCYRZSSKIKQCX-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cccnc1 ZINC001573787011 949158714 /nfs/dbraw/zinc/15/87/14/949158714.db2.gz JOCGXQCWEXAFFA-VIKVFOODSA-N -1 1 391.439 0.580 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cccnc1 ZINC001573787011 949158727 /nfs/dbraw/zinc/15/87/27/949158727.db2.gz JOCGXQCWEXAFFA-VIKVFOODSA-N -1 1 391.439 0.580 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574934477 949163251 /nfs/dbraw/zinc/16/32/51/949163251.db2.gz IXLPDZRFSBMSOX-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574934477 949163257 /nfs/dbraw/zinc/16/32/57/949163257.db2.gz IXLPDZRFSBMSOX-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001574447612 949164802 /nfs/dbraw/zinc/16/48/02/949164802.db2.gz URIAGIWNBIPMSK-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001574447612 949164822 /nfs/dbraw/zinc/16/48/22/949164822.db2.gz URIAGIWNBIPMSK-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574934663 949171251 /nfs/dbraw/zinc/17/12/51/949171251.db2.gz NJRAPMSNSGLJCA-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574934663 949171262 /nfs/dbraw/zinc/17/12/62/949171262.db2.gz NJRAPMSNSGLJCA-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934763 949174849 /nfs/dbraw/zinc/17/48/49/949174849.db2.gz QBVABOKVFNXTCO-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934763 949174858 /nfs/dbraw/zinc/17/48/58/949174858.db2.gz QBVABOKVFNXTCO-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698188 949180094 /nfs/dbraw/zinc/18/00/94/949180094.db2.gz HBCNAJLPCTYSHZ-OLZOCXBDSA-N -1 1 382.428 0.805 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934998 949188162 /nfs/dbraw/zinc/18/81/62/949188162.db2.gz WPVCMXYOXZBYOX-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934998 949188178 /nfs/dbraw/zinc/18/81/78/949188178.db2.gz WPVCMXYOXZBYOX-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698517 949194575 /nfs/dbraw/zinc/19/45/75/949194575.db2.gz MGOINIQTWSGREH-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698517 949194589 /nfs/dbraw/zinc/19/45/89/949194589.db2.gz MGOINIQTWSGREH-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935103 949195643 /nfs/dbraw/zinc/19/56/43/949195643.db2.gz ZEQKLPJFKQHZPY-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698516 949196749 /nfs/dbraw/zinc/19/67/49/949196749.db2.gz MGGACKHOSUFWOX-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698516 949196761 /nfs/dbraw/zinc/19/67/61/949196761.db2.gz MGGACKHOSUFWOX-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574449886 949203805 /nfs/dbraw/zinc/20/38/05/949203805.db2.gz UUILDYLUCBUNJH-CMPLNLGQSA-N -1 1 383.416 0.763 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698728 949204673 /nfs/dbraw/zinc/20/46/73/949204673.db2.gz OAYRHZXSUGHKRO-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698728 949204693 /nfs/dbraw/zinc/20/46/93/949204693.db2.gz OAYRHZXSUGHKRO-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575254486 949207093 /nfs/dbraw/zinc/20/70/93/949207093.db2.gz WIWXIHIIBWNUIU-NWDGAFQWSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575254486 949207112 /nfs/dbraw/zinc/20/71/12/949207112.db2.gz WIWXIHIIBWNUIU-NWDGAFQWSA-N -1 1 389.464 0.073 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001574102799 949210531 /nfs/dbraw/zinc/21/05/31/949210531.db2.gz BNNZWSKRTDIZEQ-UGSOOPFHSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001574102799 949210550 /nfs/dbraw/zinc/21/05/50/949210550.db2.gz BNNZWSKRTDIZEQ-UGSOOPFHSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1CCC[C@H](CNC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001576151274 949214147 /nfs/dbraw/zinc/21/41/47/949214147.db2.gz FQLJUOUQQVJWMU-QWRGUYRKSA-N -1 1 388.432 0.522 20 0 GCADMM CC(C)(C)C(=O)N1CC[C@@H](N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573791561 949218116 /nfs/dbraw/zinc/21/81/16/949218116.db2.gz BZAYXFJGPWJCJD-CYBMUJFWSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)(C)C(=O)N1CC[C@H](N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573791563 949218988 /nfs/dbraw/zinc/21/89/88/949218988.db2.gz BZAYXFJGPWJCJD-ZDUSSCGKSA-N -1 1 385.476 0.426 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CCn2cncn2)CC1 ZINC001575853622 949219670 /nfs/dbraw/zinc/21/96/70/949219670.db2.gz VTXBZYNZANGKIW-UHFFFAOYSA-N -1 1 383.420 0.132 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CCn2cncn2)CC1 ZINC001575853622 949219691 /nfs/dbraw/zinc/21/96/91/949219691.db2.gz VTXBZYNZANGKIW-UHFFFAOYSA-N -1 1 383.420 0.132 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574699217 949234952 /nfs/dbraw/zinc/23/49/52/949234952.db2.gz UFPJFDDBGVYUIV-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574699217 949234965 /nfs/dbraw/zinc/23/49/65/949234965.db2.gz UFPJFDDBGVYUIV-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574451703 949237103 /nfs/dbraw/zinc/23/71/03/949237103.db2.gz VAXLEVJJNIEJAA-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574451703 949237123 /nfs/dbraw/zinc/23/71/23/949237123.db2.gz VAXLEVJJNIEJAA-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574103363 949243827 /nfs/dbraw/zinc/24/38/27/949243827.db2.gz QTQMWCIEANXMRP-SCLBCKFNSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574103363 949243847 /nfs/dbraw/zinc/24/38/47/949243847.db2.gz QTQMWCIEANXMRP-SCLBCKFNSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574451926 949247201 /nfs/dbraw/zinc/24/72/01/949247201.db2.gz AWMVHESMRCAIFK-GFCCVEGCSA-N -1 1 382.432 0.430 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574451994 949254386 /nfs/dbraw/zinc/25/43/86/949254386.db2.gz DJIURUWMJOCSHO-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574451994 949254406 /nfs/dbraw/zinc/25/44/06/949254406.db2.gz DJIURUWMJOCSHO-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)cn1 ZINC001574452221 949258893 /nfs/dbraw/zinc/25/88/93/949258893.db2.gz GVBCKVQNJTVRSB-UHFFFAOYSA-N -1 1 382.432 0.621 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452517 949265043 /nfs/dbraw/zinc/26/50/43/949265043.db2.gz LSYKEUCAOHEGDK-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452879 949270537 /nfs/dbraw/zinc/27/05/37/949270537.db2.gz PHRNHFHKYZCTFT-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452879 949270559 /nfs/dbraw/zinc/27/05/59/949270559.db2.gz PHRNHFHKYZCTFT-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452944 949275000 /nfs/dbraw/zinc/27/50/00/949275000.db2.gz SBGTZFPKLDXFLW-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574453140 949277833 /nfs/dbraw/zinc/27/78/33/949277833.db2.gz XBKWWCIWIRCPHQ-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941208 949293577 /nfs/dbraw/zinc/29/35/77/949293577.db2.gz PJLJHOKJAWXRSW-NSHDSACASA-N -1 1 380.412 0.268 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cn1 ZINC001574454948 949293918 /nfs/dbraw/zinc/29/39/18/949293918.db2.gz IRYUMFORALTNEP-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cn1 ZINC001574454948 949293941 /nfs/dbraw/zinc/29/39/41/949293941.db2.gz IRYUMFORALTNEP-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM CC1=C(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)[C@@H](C)n2nnnc2N1C ZINC001575860735 949310902 /nfs/dbraw/zinc/31/09/02/949310902.db2.gz LKTKGVHMXUMBDN-SSDOTTSWSA-N -1 1 382.392 0.377 20 0 GCADMM CC(C)n1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)n1 ZINC001574457134 949315165 /nfs/dbraw/zinc/31/51/65/949315165.db2.gz AKHBVARPMDUFGH-UHFFFAOYSA-N -1 1 382.432 0.621 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001574455806 949317460 /nfs/dbraw/zinc/31/74/60/949317460.db2.gz ZNVRDQJLMPARBD-YPMHNXCESA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001574455806 949317477 /nfs/dbraw/zinc/31/74/77/949317477.db2.gz ZNVRDQJLMPARBD-YPMHNXCESA-N -1 1 382.432 0.831 20 0 GCADMM CC1(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001575524425 949318194 /nfs/dbraw/zinc/31/81/94/949318194.db2.gz IOQLUNXBEUDUNX-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM CC1(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575524425 949318209 /nfs/dbraw/zinc/31/82/09/949318209.db2.gz IOQLUNXBEUDUNX-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575259516 949327200 /nfs/dbraw/zinc/32/72/00/949327200.db2.gz POARPORHLQEJBI-OCCSQVGLSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575259516 949327216 /nfs/dbraw/zinc/32/72/16/949327216.db2.gz POARPORHLQEJBI-OCCSQVGLSA-N -1 1 384.444 0.725 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457762 949332663 /nfs/dbraw/zinc/33/26/63/949332663.db2.gz NQOAIHDEWYDOCY-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457762 949332690 /nfs/dbraw/zinc/33/26/90/949332690.db2.gz NQOAIHDEWYDOCY-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574458103 949336507 /nfs/dbraw/zinc/33/65/07/949336507.db2.gz PDOFPPKKZQVKPC-GFCCVEGCSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCC[C@H](C)C1 ZINC001576154408 949339827 /nfs/dbraw/zinc/33/98/27/949339827.db2.gz PAGMNEKMTNMXIZ-SDDRHHMPSA-N -1 1 375.433 0.850 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458319 949340947 /nfs/dbraw/zinc/34/09/47/949340947.db2.gz SLTOPYMPCKTLRW-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458319 949340968 /nfs/dbraw/zinc/34/09/68/949340968.db2.gz SLTOPYMPCKTLRW-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574942295 949347017 /nfs/dbraw/zinc/34/70/17/949347017.db2.gz XYASMOXAOWQBDP-CYBMUJFWSA-N -1 1 392.467 0.974 20 0 GCADMM C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703730 949348392 /nfs/dbraw/zinc/34/83/92/949348392.db2.gz XIPDYOFEPRBBKJ-LBPRGKRZSA-N -1 1 379.428 0.464 20 0 GCADMM CC(C)CC(=O)N1CCN([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001574110218 949355606 /nfs/dbraw/zinc/35/56/06/949355606.db2.gz VUUNMMCUFPCNGW-AWEZNQCLSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)n1cccc1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001574459386 949358293 /nfs/dbraw/zinc/35/82/93/949358293.db2.gz DILSTJIKTXPCOI-UHFFFAOYSA-N -1 1 385.432 0.008 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573798810 949359077 /nfs/dbraw/zinc/35/90/77/949359077.db2.gz HHLNCMFJLQPNTB-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573798810 949359096 /nfs/dbraw/zinc/35/90/96/949359096.db2.gz HHLNCMFJLQPNTB-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260799 949365333 /nfs/dbraw/zinc/36/53/33/949365333.db2.gz XQRPXMGORHOFHR-JSGCOSHPSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575260886 949367830 /nfs/dbraw/zinc/36/78/30/949367830.db2.gz YFRYVXIHXMAGGO-GXTWGEPZSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575260886 949367853 /nfs/dbraw/zinc/36/78/53/949367853.db2.gz YFRYVXIHXMAGGO-GXTWGEPZSA-N -1 1 384.444 0.725 20 0 GCADMM CC1=NO[C@H](CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001575865233 949369918 /nfs/dbraw/zinc/36/99/18/949369918.db2.gz KMLBJHAVOMIKKV-RYUDHWBXSA-N -1 1 386.420 0.042 20 0 GCADMM CC1=NO[C@H](CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001575865233 949369936 /nfs/dbraw/zinc/36/99/36/949369936.db2.gz KMLBJHAVOMIKKV-RYUDHWBXSA-N -1 1 386.420 0.042 20 0 GCADMM C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001575260972 949370624 /nfs/dbraw/zinc/37/06/24/949370624.db2.gz YSWHHCJMTSVBJV-JTQLQIEISA-N -1 1 385.428 0.968 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001576154977 949375040 /nfs/dbraw/zinc/37/50/40/949375040.db2.gz RYPOXFAQEOTJEF-GHMZBOCLSA-N -1 1 388.432 0.664 20 0 GCADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575865544 949375469 /nfs/dbraw/zinc/37/54/69/949375469.db2.gz LSVWRPGPCFLSJP-BPNCWPANSA-N -1 1 381.396 0.295 20 0 GCADMM C[C@@H]1CCC[C@H](OCC(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154962 949376837 /nfs/dbraw/zinc/37/68/37/949376837.db2.gz SLTWWOQMRUGJOS-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574460420 949379286 /nfs/dbraw/zinc/37/92/86/949379286.db2.gz UNZJYPYHXYXIQT-BETUJISGSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574460420 949379308 /nfs/dbraw/zinc/37/93/08/949379308.db2.gz UNZJYPYHXYXIQT-BETUJISGSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573799985 949382123 /nfs/dbraw/zinc/38/21/23/949382123.db2.gz SRFJJSQLCPWURT-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573799985 949382144 /nfs/dbraw/zinc/38/21/44/949382144.db2.gz SRFJJSQLCPWURT-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575527995 949385811 /nfs/dbraw/zinc/38/58/11/949385811.db2.gz KTIFLTXTXDQVRM-SGTLLEGYSA-N -1 1 386.460 0.544 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574463996 949392714 /nfs/dbraw/zinc/39/27/14/949392714.db2.gz DUFWXDOGEVJPBR-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574463996 949392733 /nfs/dbraw/zinc/39/27/33/949392733.db2.gz DUFWXDOGEVJPBR-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574464106 949395934 /nfs/dbraw/zinc/39/59/34/949395934.db2.gz FCXSPUWODGWBFY-ATCWAGBWSA-N -1 1 379.428 0.904 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574464106 949395956 /nfs/dbraw/zinc/39/59/56/949395956.db2.gz FCXSPUWODGWBFY-ATCWAGBWSA-N -1 1 379.428 0.904 20 0 GCADMM CC(C)n1cnc(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001574464153 949396323 /nfs/dbraw/zinc/39/63/23/949396323.db2.gz HITGQGKVUOIJJH-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001574464153 949396346 /nfs/dbraw/zinc/39/63/46/949396346.db2.gz HITGQGKVUOIJJH-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575528674 949406122 /nfs/dbraw/zinc/40/61/22/949406122.db2.gz ZJKYQUYOAFGFEF-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464306 949407781 /nfs/dbraw/zinc/40/77/81/949407781.db2.gz JRLHVJXBHZHACP-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573802041 949409623 /nfs/dbraw/zinc/40/96/23/949409623.db2.gz CNLMJKOTFULVCU-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573802041 949409640 /nfs/dbraw/zinc/40/96/40/949409640.db2.gz CNLMJKOTFULVCU-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574945097 949409848 /nfs/dbraw/zinc/40/98/48/949409848.db2.gz KPOFZEPHXAADTD-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574945097 949409866 /nfs/dbraw/zinc/40/98/66/949409866.db2.gz KPOFZEPHXAADTD-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC001575532934 949411047 /nfs/dbraw/zinc/41/10/47/949411047.db2.gz DDZAGZBZSMGFJH-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC001575532934 949411056 /nfs/dbraw/zinc/41/10/56/949411056.db2.gz DDZAGZBZSMGFJH-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cnc(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001574464348 949411333 /nfs/dbraw/zinc/41/13/33/949411333.db2.gz LVTBLBYXNJJERX-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001574464348 949411346 /nfs/dbraw/zinc/41/13/46/949411346.db2.gz LVTBLBYXNJJERX-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001574464373 949412167 /nfs/dbraw/zinc/41/21/67/949412167.db2.gz MIAPCDPCLUBNBQ-UHFFFAOYSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn(C)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574945734 949414230 /nfs/dbraw/zinc/41/42/30/949414230.db2.gz NBLHCZAMWQJCLV-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574464643 949420366 /nfs/dbraw/zinc/42/03/66/949420366.db2.gz PMNUCXGGJCEXCE-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464643 949420375 /nfs/dbraw/zinc/42/03/75/949420375.db2.gz PMNUCXGGJCEXCE-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574465018 949426125 /nfs/dbraw/zinc/42/61/25/949426125.db2.gz SVYQQCJCXJPGOZ-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574465018 949426134 /nfs/dbraw/zinc/42/61/34/949426134.db2.gz SVYQQCJCXJPGOZ-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574465117 949429110 /nfs/dbraw/zinc/42/91/10/949429110.db2.gz OLLGVUKEZMDUFO-OCCSQVGLSA-N -1 1 383.416 0.019 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574465117 949429126 /nfs/dbraw/zinc/42/91/26/949429126.db2.gz OLLGVUKEZMDUFO-OCCSQVGLSA-N -1 1 383.416 0.019 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575264798 949435665 /nfs/dbraw/zinc/43/56/65/949435665.db2.gz QODRBXJDFNOUAC-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573803307 949440479 /nfs/dbraw/zinc/44/04/79/949440479.db2.gz MYFAZIBSVROUSN-PHIMTYICSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573803307 949440495 /nfs/dbraw/zinc/44/04/95/949440495.db2.gz MYFAZIBSVROUSN-PHIMTYICSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCCCC(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573803511 949441731 /nfs/dbraw/zinc/44/17/31/949441731.db2.gz QSERUNPFKNIYCD-UHFFFAOYSA-N -1 1 389.464 0.517 20 0 GCADMM CC(C)(C)C(=O)NCCCC(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573803511 949441744 /nfs/dbraw/zinc/44/17/44/949441744.db2.gz QSERUNPFKNIYCD-UHFFFAOYSA-N -1 1 389.464 0.517 20 0 GCADMM C[C@@H](CNC(=O)Cc1cncn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574947046 949442181 /nfs/dbraw/zinc/44/21/81/949442181.db2.gz YQXPRPNOCAUHKG-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@@H](CNC(=O)Cc1cncn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574947046 949442199 /nfs/dbraw/zinc/44/21/99/949442199.db2.gz YQXPRPNOCAUHKG-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573803500 949443544 /nfs/dbraw/zinc/44/35/44/949443544.db2.gz QKDPQYFAINDYDU-UHFFFAOYSA-N -1 1 391.501 0.781 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574705907 949444950 /nfs/dbraw/zinc/44/49/50/949444950.db2.gz KMYBWMWKKIQURC-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574705907 949444963 /nfs/dbraw/zinc/44/49/63/949444963.db2.gz KMYBWMWKKIQURC-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574947551 949448090 /nfs/dbraw/zinc/44/80/90/949448090.db2.gz BZYPIZHICNECIK-NSHDSACASA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574947551 949448110 /nfs/dbraw/zinc/44/81/10/949448110.db2.gz BZYPIZHICNECIK-NSHDSACASA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574947793 949453415 /nfs/dbraw/zinc/45/34/15/949453415.db2.gz DIEQMSGMWUHNAB-SECBINFHSA-N -1 1 392.374 0.432 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001574467990 949453472 /nfs/dbraw/zinc/45/34/72/949453472.db2.gz CFBZJNSQOFRMDF-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H]1CCC[C@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)C1 ZINC001576156610 949453741 /nfs/dbraw/zinc/45/37/41/949453741.db2.gz YVADJYGRBSSZQB-RYUDHWBXSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@H]1CCC[C@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)C1 ZINC001576156610 949453764 /nfs/dbraw/zinc/45/37/64/949453764.db2.gz YVADJYGRBSSZQB-RYUDHWBXSA-N -1 1 390.448 0.960 20 0 GCADMM CC1(C(=O)N2CCC3(CC2)CN(c2ccnc(-c4nn[n-]n4)n2)CCO3)CC1 ZINC001575535957 949457255 /nfs/dbraw/zinc/45/72/55/949457255.db2.gz CHGUMYKCDVXVHV-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CC[C@]3(C2)CN(c2ccc(-c4nnn[n-]4)nn2)CCO3)CCC1 ZINC001575535802 949459821 /nfs/dbraw/zinc/45/98/21/949459821.db2.gz BJFGHVIRWUGGGN-GOSISDBHSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CC[C@]3(C2)CN(c2ccc(-c4nn[n-]n4)nn2)CCO3)CCC1 ZINC001575535802 949459829 /nfs/dbraw/zinc/45/98/29/949459829.db2.gz BJFGHVIRWUGGGN-GOSISDBHSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574706724 949460187 /nfs/dbraw/zinc/46/01/87/949460187.db2.gz MDVBEMLYMOPJQI-LBPRGKRZSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575265906 949461526 /nfs/dbraw/zinc/46/15/26/949461526.db2.gz VWGNTETXTKFVRU-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575265906 949461543 /nfs/dbraw/zinc/46/15/43/949461543.db2.gz VWGNTETXTKFVRU-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574468955 949470432 /nfs/dbraw/zinc/47/04/32/949470432.db2.gz WGPLUMCJYOOTSH-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574468955 949470451 /nfs/dbraw/zinc/47/04/51/949470451.db2.gz WGPLUMCJYOOTSH-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H](CNC(=O)Cn1ncc2cccnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574948809 949472962 /nfs/dbraw/zinc/47/29/62/949472962.db2.gz MRTKVHQEXLONHJ-SNVBAGLBSA-N -1 1 379.388 0.018 20 0 GCADMM C[C@H](CNC(=O)Cn1ncc2cccnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574948809 949472978 /nfs/dbraw/zinc/47/29/78/949472978.db2.gz MRTKVHQEXLONHJ-SNVBAGLBSA-N -1 1 379.388 0.018 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574948987 949476477 /nfs/dbraw/zinc/47/64/77/949476477.db2.gz PEEUETLVEKWBPU-SSDOTTSWSA-N -1 1 382.841 0.209 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574948987 949476486 /nfs/dbraw/zinc/47/64/86/949476486.db2.gz PEEUETLVEKWBPU-SSDOTTSWSA-N -1 1 382.841 0.209 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574469704 949482132 /nfs/dbraw/zinc/48/21/32/949482132.db2.gz FXGXGXUBWOXFFC-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574469704 949482150 /nfs/dbraw/zinc/48/21/50/949482150.db2.gz FXGXGXUBWOXFFC-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574949296 949487063 /nfs/dbraw/zinc/48/70/63/949487063.db2.gz SNVLMFRXOIBFGY-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574949296 949487073 /nfs/dbraw/zinc/48/70/73/949487073.db2.gz SNVLMFRXOIBFGY-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949160 949487097 /nfs/dbraw/zinc/48/70/97/949487097.db2.gz RJDFKIDWKWJAIZ-SSDOTTSWSA-N -1 1 382.841 0.209 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574470039 949488901 /nfs/dbraw/zinc/48/89/01/949488901.db2.gz LCKKBFCEELQEOS-HAQNSBGRSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574117986 949489095 /nfs/dbraw/zinc/48/90/95/949489095.db2.gz CNFXDWIIKCUMFV-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574117986 949489111 /nfs/dbraw/zinc/48/91/11/949489111.db2.gz CNFXDWIIKCUMFV-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574949350 949491047 /nfs/dbraw/zinc/49/10/47/949491047.db2.gz URZQIZKAHRPIDV-SECBINFHSA-N -1 1 376.812 0.148 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574949350 949491057 /nfs/dbraw/zinc/49/10/57/949491057.db2.gz URZQIZKAHRPIDV-SECBINFHSA-N -1 1 376.812 0.148 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949424 949495854 /nfs/dbraw/zinc/49/58/54/949495854.db2.gz WAEQKAMRHHKQMZ-SSDOTTSWSA-N -1 1 382.841 0.433 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574119781 949498063 /nfs/dbraw/zinc/49/80/63/949498063.db2.gz JFKSLXNNESJGSF-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574119781 949498075 /nfs/dbraw/zinc/49/80/75/949498075.db2.gz JFKSLXNNESJGSF-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574119792 949502041 /nfs/dbraw/zinc/50/20/41/949502041.db2.gz JHIPQYLIQNLSPB-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574119792 949502058 /nfs/dbraw/zinc/50/20/58/949502058.db2.gz JHIPQYLIQNLSPB-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574121414 949510439 /nfs/dbraw/zinc/51/04/39/949510439.db2.gz QBUUWQPUFYKROH-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574121414 949510454 /nfs/dbraw/zinc/51/04/54/949510454.db2.gz QBUUWQPUFYKROH-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710892 949518353 /nfs/dbraw/zinc/51/83/53/949518353.db2.gz BSOCERGJRKFBHY-YPMHNXCESA-N -1 1 379.428 0.462 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871760 949519129 /nfs/dbraw/zinc/51/91/29/949519129.db2.gz BYGYIPIFTGYTTQ-VXGBXAGGSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871760 949519137 /nfs/dbraw/zinc/51/91/37/949519137.db2.gz BYGYIPIFTGYTTQ-VXGBXAGGSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710960 949521534 /nfs/dbraw/zinc/52/15/34/949521534.db2.gz COVSUKFSODPWHF-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710960 949521550 /nfs/dbraw/zinc/52/15/50/949521550.db2.gz COVSUKFSODPWHF-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574122049 949522563 /nfs/dbraw/zinc/52/25/63/949522563.db2.gz UFBGHMHWOPFVCN-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574122049 949522578 /nfs/dbraw/zinc/52/25/78/949522578.db2.gz UFBGHMHWOPFVCN-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574122489 949524583 /nfs/dbraw/zinc/52/45/83/949524583.db2.gz XXPHOBCWDITRJE-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574122489 949524588 /nfs/dbraw/zinc/52/45/88/949524588.db2.gz XXPHOBCWDITRJE-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cocn1 ZINC001576160062 949526523 /nfs/dbraw/zinc/52/65/23/949526523.db2.gz ZHJQCVBBUSZZGP-PIGZYNQJSA-N -1 1 383.416 0.857 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574122633 949530538 /nfs/dbraw/zinc/53/05/38/949530538.db2.gz ZGEDWCVSSNPVIB-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574122633 949530552 /nfs/dbraw/zinc/53/05/52/949530552.db2.gz ZGEDWCVSSNPVIB-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163389 949530978 /nfs/dbraw/zinc/53/09/78/949530978.db2.gz ASGNGILJACCBLN-OLZOCXBDSA-N -1 1 386.460 0.423 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574122645 949532850 /nfs/dbraw/zinc/53/28/50/949532850.db2.gz ZOKBKWAKYJEYJL-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574122645 949532861 /nfs/dbraw/zinc/53/28/61/949532861.db2.gz ZOKBKWAKYJEYJL-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711467 949537808 /nfs/dbraw/zinc/53/78/08/949537808.db2.gz HNVTWCOGXVCWFR-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711467 949537824 /nfs/dbraw/zinc/53/78/24/949537824.db2.gz HNVTWCOGXVCWFR-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872348 949544142 /nfs/dbraw/zinc/54/41/42/949544142.db2.gz IFTKAJLJRYRTQB-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872348 949544148 /nfs/dbraw/zinc/54/41/48/949544148.db2.gz IFTKAJLJRYRTQB-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](N(CCO)c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001575539407 949546795 /nfs/dbraw/zinc/54/67/95/949546795.db2.gz PSZKRWWFXFAGLF-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](N(CCO)c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001575539407 949546803 /nfs/dbraw/zinc/54/68/03/949546803.db2.gz PSZKRWWFXFAGLF-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574711573 949547452 /nfs/dbraw/zinc/54/74/52/949547452.db2.gz JKKPZMBBUIZWLO-PHDIDXHHSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574711573 949547471 /nfs/dbraw/zinc/54/74/71/949547471.db2.gz JKKPZMBBUIZWLO-PHDIDXHHSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711634 949547509 /nfs/dbraw/zinc/54/75/09/949547509.db2.gz JQOBCVMMKTVXTM-YGRLFVJLSA-N -1 1 382.403 0.816 20 0 GCADMM C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574950976 949547653 /nfs/dbraw/zinc/54/76/53/949547653.db2.gz VENULAWUMKLSGO-QWHCGFSZSA-N -1 1 382.428 0.601 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574472358 949552557 /nfs/dbraw/zinc/55/25/57/949552557.db2.gz SZMRLVRJEQRNBZ-IYXRBSQSSA-N -1 1 381.444 0.933 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164567 949558506 /nfs/dbraw/zinc/55/85/06/949558506.db2.gz HKWHCALRVKYIMS-UONOGXRCSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575269894 949565425 /nfs/dbraw/zinc/56/54/25/949565425.db2.gz XGSQDPIGSWXQQQ-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574475447 949568538 /nfs/dbraw/zinc/56/85/38/949568538.db2.gz AHJVANOEZHZCFK-NWDGAFQWSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574475447 949568553 /nfs/dbraw/zinc/56/85/53/949568553.db2.gz AHJVANOEZHZCFK-NWDGAFQWSA-N -1 1 386.416 0.675 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574124445 949572092 /nfs/dbraw/zinc/57/20/92/949572092.db2.gz IDXBLBWESCBYNB-NEPJUHHUSA-N -1 1 387.448 0.207 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574124445 949572098 /nfs/dbraw/zinc/57/20/98/949572098.db2.gz IDXBLBWESCBYNB-NEPJUHHUSA-N -1 1 387.448 0.207 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712388 949578175 /nfs/dbraw/zinc/57/81/75/949578175.db2.gz RYHMGCQXGPWVTQ-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574476007 949584435 /nfs/dbraw/zinc/58/44/35/949584435.db2.gz FAVABENPGKZYDA-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574476007 949584448 /nfs/dbraw/zinc/58/44/48/949584448.db2.gz FAVABENPGKZYDA-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574475926 949584690 /nfs/dbraw/zinc/58/46/90/949584690.db2.gz DKQSAAYUVLQRCM-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712705 949585736 /nfs/dbraw/zinc/58/57/36/949585736.db2.gz TUGNPFNBNAZZMF-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575544547 949588592 /nfs/dbraw/zinc/58/85/92/949588592.db2.gz FKFUCWBDMBNQRO-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575544547 949588604 /nfs/dbraw/zinc/58/86/04/949588604.db2.gz FKFUCWBDMBNQRO-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712912 949589105 /nfs/dbraw/zinc/58/91/05/949589105.db2.gz VEXKIKVHSGATLT-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712743 949589503 /nfs/dbraw/zinc/58/95/03/949589503.db2.gz UCIJIAGQIQQGPD-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270482 949591294 /nfs/dbraw/zinc/59/12/94/949591294.db2.gz CNHBITYGHCCPNK-WDEREUQCSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270482 949591311 /nfs/dbraw/zinc/59/13/11/949591311.db2.gz CNHBITYGHCCPNK-WDEREUQCSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873891 949594396 /nfs/dbraw/zinc/59/43/96/949594396.db2.gz QSBOUIAOVJWGGM-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873891 949594414 /nfs/dbraw/zinc/59/44/14/949594414.db2.gz QSBOUIAOVJWGGM-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574476298 949598190 /nfs/dbraw/zinc/59/81/90/949598190.db2.gz FZSPDGGTEAFGIJ-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574476298 949598204 /nfs/dbraw/zinc/59/82/04/949598204.db2.gz FZSPDGGTEAFGIJ-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM CC(C)C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574126072 949599419 /nfs/dbraw/zinc/59/94/19/949599419.db2.gz YTSQVQBQVRHTIZ-ZDUSSCGKSA-N -1 1 384.448 0.433 20 0 GCADMM C[C@@H](NC(=O)CCCNC(=O)C1CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270857 949601517 /nfs/dbraw/zinc/60/15/17/949601517.db2.gz GGDGFJKIOJCSPY-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)CCCNC(=O)C1CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270857 949601541 /nfs/dbraw/zinc/60/15/41/949601541.db2.gz GGDGFJKIOJCSPY-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713515 949604852 /nfs/dbraw/zinc/60/48/52/949604852.db2.gz XVAAQHUBMQXELG-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713515 949604860 /nfs/dbraw/zinc/60/48/60/949604860.db2.gz XVAAQHUBMQXELG-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576167557 949607139 /nfs/dbraw/zinc/60/71/39/949607139.db2.gz QMHQPNPWWQKILB-YPMHNXCESA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576167557 949607152 /nfs/dbraw/zinc/60/71/52/949607152.db2.gz QMHQPNPWWQKILB-YPMHNXCESA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713720 949607324 /nfs/dbraw/zinc/60/73/24/949607324.db2.gz BOCWWHNJLMGFPM-STQMWFEESA-N -1 1 381.444 0.926 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCCCC(N)=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874264 949610656 /nfs/dbraw/zinc/61/06/56/949610656.db2.gz FMPQQJIYSRMXNC-NEPJUHHUSA-N -1 1 387.448 0.176 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCCCC(N)=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874264 949610672 /nfs/dbraw/zinc/61/06/72/949610672.db2.gz FMPQQJIYSRMXNC-NEPJUHHUSA-N -1 1 387.448 0.176 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574713832 949613631 /nfs/dbraw/zinc/61/36/31/949613631.db2.gz YGDKDUMBTTWBCB-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574713836 949614513 /nfs/dbraw/zinc/61/45/13/949614513.db2.gz YGDKDUMBTTWBCB-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574127722 949619563 /nfs/dbraw/zinc/61/95/63/949619563.db2.gz JONXSVGOQXJINM-ZDUSSCGKSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574127722 949619575 /nfs/dbraw/zinc/61/95/75/949619575.db2.gz JONXSVGOQXJINM-ZDUSSCGKSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874760 949619473 /nfs/dbraw/zinc/61/94/73/949619473.db2.gz GOAHPNSFTFTQQU-AAEUAGOBSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874760 949619487 /nfs/dbraw/zinc/61/94/87/949619487.db2.gz GOAHPNSFTFTQQU-AAEUAGOBSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874734 949619979 /nfs/dbraw/zinc/61/99/79/949619979.db2.gz UKVGMXCPDFRSGX-VXGBXAGGSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874734 949619989 /nfs/dbraw/zinc/61/99/89/949619989.db2.gz UKVGMXCPDFRSGX-VXGBXAGGSA-N -1 1 390.423 0.649 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574129028 949631896 /nfs/dbraw/zinc/63/18/96/949631896.db2.gz PWXJREKEBDLOLQ-GFCCVEGCSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574129028 949631908 /nfs/dbraw/zinc/63/19/08/949631908.db2.gz PWXJREKEBDLOLQ-GFCCVEGCSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575272120 949632294 /nfs/dbraw/zinc/63/22/94/949632294.db2.gz NSHOCWGIPNPSLA-NEPJUHHUSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575272120 949632306 /nfs/dbraw/zinc/63/23/06/949632306.db2.gz NSHOCWGIPNPSLA-NEPJUHHUSA-N -1 1 387.448 0.033 20 0 GCADMM CC1(C(=O)N2CCN([C@@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)CC2)CC1 ZINC001575547574 949632271 /nfs/dbraw/zinc/63/22/71/949632271.db2.gz AQSDYCVSLNCRSX-CYBMUJFWSA-N -1 1 383.460 0.180 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574476998 949635439 /nfs/dbraw/zinc/63/54/39/949635439.db2.gz JGDRKCHJURLAAA-ZDUSSCGKSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574476998 949635456 /nfs/dbraw/zinc/63/54/56/949635456.db2.gz JGDRKCHJURLAAA-ZDUSSCGKSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574714868 949638261 /nfs/dbraw/zinc/63/82/61/949638261.db2.gz HCDHVSNDMMOPIT-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574714868 949638278 /nfs/dbraw/zinc/63/82/78/949638278.db2.gz HCDHVSNDMMOPIT-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574477116 949638239 /nfs/dbraw/zinc/63/82/39/949638239.db2.gz ORFOVYMPAYKSDI-IUCAKERBSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574477116 949638258 /nfs/dbraw/zinc/63/82/58/949638258.db2.gz ORFOVYMPAYKSDI-IUCAKERBSA-N -1 1 388.354 0.476 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574129320 949638650 /nfs/dbraw/zinc/63/86/50/949638650.db2.gz TYDSKMWAVIEJRO-OLZOCXBDSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575272123 949638702 /nfs/dbraw/zinc/63/87/02/949638702.db2.gz NSHOCWGIPNPSLA-VXGBXAGGSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575272123 949638720 /nfs/dbraw/zinc/63/87/20/949638720.db2.gz NSHOCWGIPNPSLA-VXGBXAGGSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574477113 949639720 /nfs/dbraw/zinc/63/97/20/949639720.db2.gz ORFOVYMPAYKSDI-DTWKUNHWSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574477113 949639727 /nfs/dbraw/zinc/63/97/27/949639727.db2.gz ORFOVYMPAYKSDI-DTWKUNHWSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574477168 949643627 /nfs/dbraw/zinc/64/36/27/949643627.db2.gz KWAHVNYIVRWBBY-SECBINFHSA-N -1 1 388.354 0.478 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574477168 949643640 /nfs/dbraw/zinc/64/36/40/949643640.db2.gz KWAHVNYIVRWBBY-SECBINFHSA-N -1 1 388.354 0.478 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575876298 949647705 /nfs/dbraw/zinc/64/77/05/949647705.db2.gz JSURBOJDSALMIA-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575876298 949647717 /nfs/dbraw/zinc/64/77/17/949647717.db2.gz JSURBOJDSALMIA-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168886 949653717 /nfs/dbraw/zinc/65/37/17/949653717.db2.gz CVBYMXOZMBITFF-WCQYABFASA-N -1 1 383.416 0.348 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)COCC(F)F ZINC001573815253 949653689 /nfs/dbraw/zinc/65/36/89/949653689.db2.gz HMMSTNMZPZDTNW-SNVBAGLBSA-N -1 1 384.391 0.881 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)COCC(F)F ZINC001573815253 949653698 /nfs/dbraw/zinc/65/36/98/949653698.db2.gz HMMSTNMZPZDTNW-SNVBAGLBSA-N -1 1 384.391 0.881 20 0 GCADMM C[C@H](CC(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(N)=O ZINC001574477444 949654906 /nfs/dbraw/zinc/65/49/06/949654906.db2.gz OCGOYQAMJUAIRD-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H](CC(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(N)=O ZINC001574477444 949654926 /nfs/dbraw/zinc/65/49/26/949654926.db2.gz OCGOYQAMJUAIRD-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001573815603 949655430 /nfs/dbraw/zinc/65/54/30/949655430.db2.gz JCTYZQCLMZPWDQ-OLZOCXBDSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168974 949658979 /nfs/dbraw/zinc/65/89/79/949658979.db2.gz DEXHZYSONBGNAC-TZMCWYRMSA-N -1 1 381.444 0.688 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273031 949658952 /nfs/dbraw/zinc/65/89/52/949658952.db2.gz UTGDXIKRQLMOQY-WDEREUQCSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273031 949658962 /nfs/dbraw/zinc/65/89/62/949658962.db2.gz UTGDXIKRQLMOQY-WDEREUQCSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877176 949659249 /nfs/dbraw/zinc/65/92/49/949659249.db2.gz KZCDYESQTMFOMB-VHSXEESVSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877176 949659262 /nfs/dbraw/zinc/65/92/62/949659262.db2.gz KZCDYESQTMFOMB-VHSXEESVSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273324 949664975 /nfs/dbraw/zinc/66/49/75/949664975.db2.gz WBCQBFXJMGARNI-QWRGUYRKSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273324 949664993 /nfs/dbraw/zinc/66/49/93/949664993.db2.gz WBCQBFXJMGARNI-QWRGUYRKSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574958303 949665201 /nfs/dbraw/zinc/66/52/01/949665201.db2.gz OXNJFYKEEYHUQY-WDSKDSINSA-N -1 1 387.857 0.198 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574958303 949665218 /nfs/dbraw/zinc/66/52/18/949665218.db2.gz OXNJFYKEEYHUQY-WDSKDSINSA-N -1 1 387.857 0.198 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169135 949667716 /nfs/dbraw/zinc/66/77/16/949667716.db2.gz FNHYEPQDHXHORX-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169135 949667728 /nfs/dbraw/zinc/66/77/28/949667728.db2.gz FNHYEPQDHXHORX-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574958403 949669156 /nfs/dbraw/zinc/66/91/56/949669156.db2.gz QPZSAOPMQSHDAE-FZVNPBSJSA-N -1 1 383.865 0.954 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCOCC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877754 949672335 /nfs/dbraw/zinc/67/23/35/949672335.db2.gz MUHRPZWGALZVTH-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCOCC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877754 949672346 /nfs/dbraw/zinc/67/23/46/949672346.db2.gz MUHRPZWGALZVTH-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878202 949674501 /nfs/dbraw/zinc/67/45/01/949674501.db2.gz NWFOWLBHSQZZKF-YPMHNXCESA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878202 949674514 /nfs/dbraw/zinc/67/45/14/949674514.db2.gz NWFOWLBHSQZZKF-YPMHNXCESA-N -1 1 383.416 0.751 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CO[C@H]1CCOC1 ZINC001573816316 949676624 /nfs/dbraw/zinc/67/66/24/949676624.db2.gz QEZLJUFQCNJJMO-AAEUAGOBSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CO[C@H]1CCOC1 ZINC001573816316 949676637 /nfs/dbraw/zinc/67/66/37/949676637.db2.gz QEZLJUFQCNJJMO-AAEUAGOBSA-N -1 1 390.448 0.405 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958456 949676736 /nfs/dbraw/zinc/67/67/36/949676736.db2.gz JXGFXFDUCWMTCR-WCFLWFBJSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958456 949676746 /nfs/dbraw/zinc/67/67/46/949676746.db2.gz JXGFXFDUCWMTCR-WCFLWFBJSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575273866 949677844 /nfs/dbraw/zinc/67/78/44/949677844.db2.gz YOLWTUJKMNQGPF-RNFRBKRXSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575273866 949677856 /nfs/dbraw/zinc/67/78/56/949677856.db2.gz YOLWTUJKMNQGPF-RNFRBKRXSA-N -1 1 386.869 0.937 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@]1(F)CCOC1 ZINC001573816710 949685260 /nfs/dbraw/zinc/68/52/60/949685260.db2.gz UUZLLSCZRLKMLA-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@]1(F)CCOC1 ZINC001573816710 949685275 /nfs/dbraw/zinc/68/52/75/949685275.db2.gz UUZLLSCZRLKMLA-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574477942 949685908 /nfs/dbraw/zinc/68/59/08/949685908.db2.gz WMDNTZBQNLXPCX-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574477942 949685923 /nfs/dbraw/zinc/68/59/23/949685923.db2.gz WMDNTZBQNLXPCX-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574132677 949699762 /nfs/dbraw/zinc/69/97/62/949699762.db2.gz APJGAYRQGJWAAY-QWHCGFSZSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574132677 949699780 /nfs/dbraw/zinc/69/97/80/949699780.db2.gz APJGAYRQGJWAAY-QWHCGFSZSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574478380 949703708 /nfs/dbraw/zinc/70/37/08/949703708.db2.gz YWHXVEJEKBKEDB-VXGBXAGGSA-N -1 1 386.416 0.097 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574478378 949704551 /nfs/dbraw/zinc/70/45/51/949704551.db2.gz YWHXVEJEKBKEDB-RYUDHWBXSA-N -1 1 386.416 0.097 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574959053 949705356 /nfs/dbraw/zinc/70/53/56/949705356.db2.gz PWFWEZWKCVCOQX-WCFLWFBJSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574959053 949705368 /nfs/dbraw/zinc/70/53/68/949705368.db2.gz PWFWEZWKCVCOQX-WCFLWFBJSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574959190 949709710 /nfs/dbraw/zinc/70/97/10/949709710.db2.gz ZZCAJBYNKSDROR-KXEKKFMESA-N -1 1 383.865 0.954 20 0 GCADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574959190 949709724 /nfs/dbraw/zinc/70/97/24/949709724.db2.gz ZZCAJBYNKSDROR-KXEKKFMESA-N -1 1 383.865 0.954 20 0 GCADMM C[C@H](CC(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1)NC(N)=O ZINC001574478524 949715139 /nfs/dbraw/zinc/71/51/39/949715139.db2.gz YOOGCPHUGRUNNF-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H](CC(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1)NC(N)=O ZINC001574478524 949715161 /nfs/dbraw/zinc/71/51/61/949715161.db2.gz YOOGCPHUGRUNNF-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cncs1 ZINC001573818097 949717404 /nfs/dbraw/zinc/71/74/04/949717404.db2.gz GCRYMQLNKYUDJX-LLVKDONJSA-N -1 1 387.473 0.721 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573818157 949721879 /nfs/dbraw/zinc/72/18/79/949721879.db2.gz HFIMYFHKJMHPFG-FVCCEPFGSA-N -1 1 386.460 0.589 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573818158 949722873 /nfs/dbraw/zinc/72/28/73/949722873.db2.gz HFIMYFHKJMHPFG-NDBYEHHHSA-N -1 1 386.460 0.589 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881475 949725469 /nfs/dbraw/zinc/72/54/69/949725469.db2.gz YJJCRWMYGKRVHF-ZJUUUORDSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881475 949725489 /nfs/dbraw/zinc/72/54/89/949725489.db2.gz YJJCRWMYGKRVHF-ZJUUUORDSA-N -1 1 382.375 0.412 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCC(N)=O ZINC001573818298 949729307 /nfs/dbraw/zinc/72/93/07/949729307.db2.gz KCCBIBKZKAVBLO-NSHDSACASA-N -1 1 375.437 0.255 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCC(N)=O ZINC001573818298 949729314 /nfs/dbraw/zinc/72/93/14/949729314.db2.gz KCCBIBKZKAVBLO-NSHDSACASA-N -1 1 375.437 0.255 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573818343 949729731 /nfs/dbraw/zinc/72/97/31/949729731.db2.gz LMHUQMTZFYGCSI-LLVKDONJSA-N -1 1 383.416 0.436 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cccc(F)c1F ZINC001575276843 949732219 /nfs/dbraw/zinc/73/22/19/949732219.db2.gz MBRWCTLSMUUFBV-MRVPVSSYSA-N -1 1 391.338 0.675 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574961010 949734718 /nfs/dbraw/zinc/73/47/18/949734718.db2.gz ZIRROQSQRADEIT-WCFLWFBJSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574961010 949734733 /nfs/dbraw/zinc/73/47/33/949734733.db2.gz ZIRROQSQRADEIT-WCFLWFBJSA-N -1 1 382.432 0.358 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573818478 949735962 /nfs/dbraw/zinc/73/59/62/949735962.db2.gz MEEXQCABINPCQW-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573818478 949735975 /nfs/dbraw/zinc/73/59/75/949735975.db2.gz MEEXQCABINPCQW-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575558771 949739936 /nfs/dbraw/zinc/73/99/36/949739936.db2.gz RVMFXMMOUZHIAV-XIKOKIGWSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170995 949743229 /nfs/dbraw/zinc/74/32/29/949743229.db2.gz OMKYRVAIHCQDMX-TZMCWYRMSA-N -1 1 382.432 0.592 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574136340 949744121 /nfs/dbraw/zinc/74/41/21/949744121.db2.gz ONPZMHCEHXURSV-UONOGXRCSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574136340 949744142 /nfs/dbraw/zinc/74/41/42/949744142.db2.gz ONPZMHCEHXURSV-UONOGXRCSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCOC1CCOCC1 ZINC001575277186 949744540 /nfs/dbraw/zinc/74/45/40/949744540.db2.gz OQAJSBXXNJIKDY-NWDGAFQWSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCOC1CCOCC1 ZINC001575277186 949744557 /nfs/dbraw/zinc/74/45/57/949744557.db2.gz OQAJSBXXNJIKDY-NWDGAFQWSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCC(F)CC1 ZINC001575277175 949744693 /nfs/dbraw/zinc/74/46/93/949744693.db2.gz OLJVHKKPDSSMMI-KPPDAEKUSA-N -1 1 379.396 0.552 20 0 GCADMM C[C@H](CC(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574480119 949744930 /nfs/dbraw/zinc/74/49/30/949744930.db2.gz GYFOKVLVSZWLCC-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574480119 949744941 /nfs/dbraw/zinc/74/49/41/949744941.db2.gz GYFOKVLVSZWLCC-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575277190 949745565 /nfs/dbraw/zinc/74/55/65/949745565.db2.gz OQAJSBXXNJIKDY-VXGBXAGGSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575277190 949745588 /nfs/dbraw/zinc/74/55/88/949745588.db2.gz OQAJSBXXNJIKDY-VXGBXAGGSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574717839 949745895 /nfs/dbraw/zinc/74/58/95/949745895.db2.gz QRTXGBRILICTQS-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574717839 949745911 /nfs/dbraw/zinc/74/59/11/949745911.db2.gz QRTXGBRILICTQS-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574480539 949752217 /nfs/dbraw/zinc/75/22/17/949752217.db2.gz JMEHUFIYDHMGHJ-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574480539 949752226 /nfs/dbraw/zinc/75/22/26/949752226.db2.gz JMEHUFIYDHMGHJ-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001573819741 949753634 /nfs/dbraw/zinc/75/36/34/949753634.db2.gz UMLSDRBAZZYZTM-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001573819741 949753648 /nfs/dbraw/zinc/75/36/48/949753648.db2.gz UMLSDRBAZZYZTM-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573819749 949754080 /nfs/dbraw/zinc/75/40/80/949754080.db2.gz UNIGUJCJQFRKFR-NSHDSACASA-N -1 1 383.416 0.436 20 0 GCADMM C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2ccc(-c4nnn[n-]4)nn2)C3)CCOC1 ZINC001575559343 949754549 /nfs/dbraw/zinc/75/45/49/949754549.db2.gz BFXZCESRFDILPA-OBQNUFEDSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2ccc(-c4nn[n-]n4)nn2)C3)CCOC1 ZINC001575559343 949754562 /nfs/dbraw/zinc/75/45/62/949754562.db2.gz BFXZCESRFDILPA-OBQNUFEDSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882161 949758957 /nfs/dbraw/zinc/75/89/57/949758957.db2.gz HDEPXXCWZAPJOC-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882161 949758980 /nfs/dbraw/zinc/75/89/80/949758980.db2.gz HDEPXXCWZAPJOC-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573819786 949760897 /nfs/dbraw/zinc/76/08/97/949760897.db2.gz VDNCSLXXWDEEFP-ZYHUDNBSSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573819786 949760903 /nfs/dbraw/zinc/76/09/03/949760903.db2.gz VDNCSLXXWDEEFP-ZYHUDNBSSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171496 949767948 /nfs/dbraw/zinc/76/79/48/949767948.db2.gz RGQCZJUXEVROJE-BIGJJFBESA-N -1 1 384.444 0.010 20 0 GCADMM C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575559759 949769662 /nfs/dbraw/zinc/76/96/62/949769662.db2.gz GABPKINCYQDBIF-WCMHJXIUSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575559759 949769686 /nfs/dbraw/zinc/76/96/86/949769686.db2.gz GABPKINCYQDBIF-WCMHJXIUSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171572 949770389 /nfs/dbraw/zinc/77/03/89/949770389.db2.gz RTUMHGTVSYHXHQ-AAEUAGOBSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171572 949770402 /nfs/dbraw/zinc/77/04/02/949770402.db2.gz RTUMHGTVSYHXHQ-AAEUAGOBSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H](C)c1ccccc1 ZINC001575278789 949770686 /nfs/dbraw/zinc/77/06/86/949770686.db2.gz VNOYUTMYTVXGLZ-NEPJUHHUSA-N -1 1 383.412 0.828 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171742 949776678 /nfs/dbraw/zinc/77/66/78/949776678.db2.gz RTUMHGTVSYHXHQ-WCQYABFASA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171742 949776694 /nfs/dbraw/zinc/77/66/94/949776694.db2.gz RTUMHGTVSYHXHQ-WCQYABFASA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574481492 949782294 /nfs/dbraw/zinc/78/22/94/949782294.db2.gz QMDCQJDEMQYGER-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171781 949783871 /nfs/dbraw/zinc/78/38/71/949783871.db2.gz SEGFLIWSLDAZMT-JSGCOSHPSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171781 949783884 /nfs/dbraw/zinc/78/38/84/949783884.db2.gz SEGFLIWSLDAZMT-JSGCOSHPSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574481516 949784386 /nfs/dbraw/zinc/78/43/86/949784386.db2.gz QQXQKKVQRXAEEQ-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574481516 949784400 /nfs/dbraw/zinc/78/44/00/949784400.db2.gz QQXQKKVQRXAEEQ-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574481580 949787420 /nfs/dbraw/zinc/78/74/20/949787420.db2.gz RSMDADWNKXOBKC-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574481580 949787437 /nfs/dbraw/zinc/78/74/37/949787437.db2.gz RSMDADWNKXOBKC-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575279758 949788322 /nfs/dbraw/zinc/78/83/22/949788322.db2.gz ZOJSTKHUWYLIGS-NXEZZACHSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575279758 949788335 /nfs/dbraw/zinc/78/83/35/949788335.db2.gz ZOJSTKHUWYLIGS-NXEZZACHSA-N -1 1 390.839 0.902 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001573822210 949788498 /nfs/dbraw/zinc/78/84/98/949788498.db2.gz GRUVWIBZLLFMHG-QWRGUYRKSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001573822210 949788510 /nfs/dbraw/zinc/78/85/10/949788510.db2.gz GRUVWIBZLLFMHG-QWRGUYRKSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172139 949794504 /nfs/dbraw/zinc/79/45/04/949794504.db2.gz VOOLMGJHXQGHOU-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574965283 949794985 /nfs/dbraw/zinc/79/49/85/949794985.db2.gz FMARQSCQGBYZNH-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574965283 949795000 /nfs/dbraw/zinc/79/50/00/949795000.db2.gz FMARQSCQGBYZNH-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574481690 949795729 /nfs/dbraw/zinc/79/57/29/949795729.db2.gz TZPQVJARNOACNC-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574481690 949795743 /nfs/dbraw/zinc/79/57/43/949795743.db2.gz TZPQVJARNOACNC-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001576172283 949797756 /nfs/dbraw/zinc/79/77/56/949797756.db2.gz WCADSYMYDMSHLZ-LLVKDONJSA-N -1 1 379.446 0.189 20 0 GCADMM C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574720623 949798676 /nfs/dbraw/zinc/79/86/76/949798676.db2.gz DWJPCCBASOSPDA-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574720623 949798691 /nfs/dbraw/zinc/79/86/91/949798691.db2.gz DWJPCCBASOSPDA-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575561534 949810711 /nfs/dbraw/zinc/81/07/11/949810711.db2.gz BDKOBLVTDOKMIZ-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575561534 949810735 /nfs/dbraw/zinc/81/07/35/949810735.db2.gz BDKOBLVTDOKMIZ-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)COCc1ccncc1 ZINC001575281886 949821144 /nfs/dbraw/zinc/82/11/44/949821144.db2.gz HUSYPQBMCKBOCZ-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)COCc1ccncc1 ZINC001575281886 949821163 /nfs/dbraw/zinc/82/11/63/949821163.db2.gz HUSYPQBMCKBOCZ-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM CC1(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001575562169 949823652 /nfs/dbraw/zinc/82/36/52/949823652.db2.gz DXBPBBAHUSBBIZ-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575883659 949824494 /nfs/dbraw/zinc/82/44/94/949824494.db2.gz SCBSITHUHVGBFI-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573823490 949835833 /nfs/dbraw/zinc/83/58/33/949835833.db2.gz XSAYUOZPXWRSKS-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573823490 949835855 /nfs/dbraw/zinc/83/58/55/949835855.db2.gz XSAYUOZPXWRSKS-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574966085 949838249 /nfs/dbraw/zinc/83/82/49/949838249.db2.gz UEMLCTLFVLODGI-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574966085 949838265 /nfs/dbraw/zinc/83/82/65/949838265.db2.gz UEMLCTLFVLODGI-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573823823 949840158 /nfs/dbraw/zinc/84/01/58/949840158.db2.gz ZJTPHVDQZPJIKT-GHMZBOCLSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573823823 949840177 /nfs/dbraw/zinc/84/01/77/949840177.db2.gz ZJTPHVDQZPJIKT-GHMZBOCLSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722931 949849136 /nfs/dbraw/zinc/84/91/36/949849136.db2.gz YKNLWBOUHLZMDP-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722931 949849157 /nfs/dbraw/zinc/84/91/57/949849157.db2.gz YKNLWBOUHLZMDP-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177754 949852354 /nfs/dbraw/zinc/85/23/54/949852354.db2.gz BIIBRLZZTFOLQU-NEPJUHHUSA-N -1 1 380.416 0.221 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576177676 949853115 /nfs/dbraw/zinc/85/31/15/949853115.db2.gz AIKNVDIGXMWKRG-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576177676 949853139 /nfs/dbraw/zinc/85/31/39/949853139.db2.gz AIKNVDIGXMWKRG-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)n21 ZINC001576177837 949859194 /nfs/dbraw/zinc/85/91/94/949859194.db2.gz CDMKDFGFLJFHCM-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)n21 ZINC001576177837 949859217 /nfs/dbraw/zinc/85/92/17/949859217.db2.gz CDMKDFGFLJFHCM-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3ccnc(-c4nn[n-]n4)n3)(C1)C2 ZINC001573825200 949864196 /nfs/dbraw/zinc/86/41/96/949864196.db2.gz MRWVEUNLQUAIFS-IPPDQLOFSA-N -1 1 386.460 0.184 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574484205 949867262 /nfs/dbraw/zinc/86/72/62/949867262.db2.gz FIAOQLHOJSLDNC-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574484205 949867279 /nfs/dbraw/zinc/86/72/79/949867279.db2.gz FIAOQLHOJSLDNC-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CCNC(=O)C(=O)N1CCC(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576178001 949869315 /nfs/dbraw/zinc/86/93/15/949869315.db2.gz FNRSKRNOAVSORA-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CCNC(=O)C(=O)N1CCC(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576178001 949869337 /nfs/dbraw/zinc/86/93/37/949869337.db2.gz FNRSKRNOAVSORA-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(CC(C)C)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574142732 949879159 /nfs/dbraw/zinc/87/91/59/949879159.db2.gz BKADQMURARWMJJ-UHFFFAOYSA-N -1 1 377.449 0.954 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178250 949879779 /nfs/dbraw/zinc/87/97/79/949879779.db2.gz GWYGUVJCZKYMTK-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178250 949879816 /nfs/dbraw/zinc/87/98/16/949879816.db2.gz GWYGUVJCZKYMTK-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001574484580 949885756 /nfs/dbraw/zinc/88/57/56/949885756.db2.gz KHBYKHWJVMSUPV-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001574484580 949885771 /nfs/dbraw/zinc/88/57/71/949885771.db2.gz KHBYKHWJVMSUPV-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574968160 949887469 /nfs/dbraw/zinc/88/74/69/949887469.db2.gz MQOLOCGIAZYOPU-JTQLQIEISA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574968160 949887500 /nfs/dbraw/zinc/88/75/00/949887500.db2.gz MQOLOCGIAZYOPU-JTQLQIEISA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178491 949888802 /nfs/dbraw/zinc/88/88/02/949888802.db2.gz BRYUHSRQRKMPAC-CMPLNLGQSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575886581 949889724 /nfs/dbraw/zinc/88/97/24/949889724.db2.gz MYPXCADDFVEIGM-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178548 949892377 /nfs/dbraw/zinc/89/23/77/949892377.db2.gz CDWKKNWCNJFALV-NWDGAFQWSA-N -1 1 383.416 0.810 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574484754 949897370 /nfs/dbraw/zinc/89/73/70/949897370.db2.gz NNSCBRAMQCUDJO-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574484754 949897393 /nfs/dbraw/zinc/89/73/93/949897393.db2.gz NNSCBRAMQCUDJO-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575284206 949898063 /nfs/dbraw/zinc/89/80/63/949898063.db2.gz IEKBXISIFQNNAR-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575284206 949898076 /nfs/dbraw/zinc/89/80/76/949898076.db2.gz IEKBXISIFQNNAR-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179010 949905813 /nfs/dbraw/zinc/90/58/13/949905813.db2.gz DIEPFBRLXUBPQY-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179010 949905848 /nfs/dbraw/zinc/90/58/48/949905848.db2.gz DIEPFBRLXUBPQY-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574484923 949908431 /nfs/dbraw/zinc/90/84/31/949908431.db2.gz RXXPDLGWMUUWAD-CHWSQXEVSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284573 949910471 /nfs/dbraw/zinc/91/04/71/949910471.db2.gz JQLHJMHBSLEBDO-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284573 949910495 /nfs/dbraw/zinc/91/04/95/949910495.db2.gz JQLHJMHBSLEBDO-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576179343 949912200 /nfs/dbraw/zinc/91/22/00/949912200.db2.gz FPFJPNGULKHUQR-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576179343 949912215 /nfs/dbraw/zinc/91/22/15/949912215.db2.gz FPFJPNGULKHUQR-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001574484957 949914229 /nfs/dbraw/zinc/91/42/29/949914229.db2.gz SJKUPTGWFOROCV-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001574484957 949914250 /nfs/dbraw/zinc/91/42/50/949914250.db2.gz SJKUPTGWFOROCV-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574968852 949915307 /nfs/dbraw/zinc/91/53/07/949915307.db2.gz ULDOLJZUQZAQNX-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574968852 949915324 /nfs/dbraw/zinc/91/53/24/949915324.db2.gz ULDOLJZUQZAQNX-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179686 949920781 /nfs/dbraw/zinc/92/07/81/949920781.db2.gz BVKZOHXUUKRJNK-NWDGAFQWSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179686 949920804 /nfs/dbraw/zinc/92/08/04/949920804.db2.gz BVKZOHXUUKRJNK-NWDGAFQWSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179690 949920917 /nfs/dbraw/zinc/92/09/17/949920917.db2.gz BVKZOHXUUKRJNK-VXGBXAGGSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179690 949920938 /nfs/dbraw/zinc/92/09/38/949920938.db2.gz BVKZOHXUUKRJNK-VXGBXAGGSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575284890 949920843 /nfs/dbraw/zinc/92/08/43/949920843.db2.gz XACHTYUZNSBYQR-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575284890 949920866 /nfs/dbraw/zinc/92/08/66/949920866.db2.gz XACHTYUZNSBYQR-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576179692 949923306 /nfs/dbraw/zinc/92/33/06/949923306.db2.gz BVQOHCPVYPQDBN-GXTWGEPZSA-N -1 1 382.428 0.811 20 0 GCADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575285027 949926608 /nfs/dbraw/zinc/92/66/08/949926608.db2.gz XVELUKWQWBESPV-NXEZZACHSA-N -1 1 383.416 0.492 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001574485278 949927286 /nfs/dbraw/zinc/92/72/86/949927286.db2.gz WLADYNSDFUUCRM-HIFRSBDPSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001574485278 949927293 /nfs/dbraw/zinc/92/72/93/949927293.db2.gz WLADYNSDFUUCRM-HIFRSBDPSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574487630 949931792 /nfs/dbraw/zinc/93/17/92/949931792.db2.gz AOFLDUFWJAJEHG-YRGRVCCFSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574487630 949931803 /nfs/dbraw/zinc/93/18/03/949931803.db2.gz AOFLDUFWJAJEHG-YRGRVCCFSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1ccnc1 ZINC001574485693 949933496 /nfs/dbraw/zinc/93/34/96/949933496.db2.gz YXKOCTJYGFXSMC-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180043 949934349 /nfs/dbraw/zinc/93/43/49/949934349.db2.gz GTDMFPQHUPQRFQ-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180043 949934363 /nfs/dbraw/zinc/93/43/63/949934363.db2.gz GTDMFPQHUPQRFQ-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)CCCCC1 ZINC001575570177 949935183 /nfs/dbraw/zinc/93/51/83/949935183.db2.gz PYZUCAQMOZSPIM-TZMCWYRMSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)CCCCC1 ZINC001575570177 949935206 /nfs/dbraw/zinc/93/52/06/949935206.db2.gz PYZUCAQMOZSPIM-TZMCWYRMSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001576180085 949937880 /nfs/dbraw/zinc/93/78/80/949937880.db2.gz HHYSKCDZUTUQLD-BXKDBHETSA-N -1 1 386.420 0.049 20 0 GCADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574146266 949938911 /nfs/dbraw/zinc/93/89/11/949938911.db2.gz XCMDICPYTIIKPH-IHRRRGAJSA-N -1 1 388.476 0.979 20 0 GCADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574146269 949941809 /nfs/dbraw/zinc/94/18/09/949941809.db2.gz XCMDICPYTIIKPH-MGPQQGTHSA-N -1 1 388.476 0.979 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574489342 949964238 /nfs/dbraw/zinc/96/42/38/949964238.db2.gz IVKPYCJTZQGQFX-PSASIEDQSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890765 949965103 /nfs/dbraw/zinc/96/51/03/949965103.db2.gz ZNTZZCGHSHDFSN-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890765 949965120 /nfs/dbraw/zinc/96/51/20/949965120.db2.gz ZNTZZCGHSHDFSN-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180600 949965142 /nfs/dbraw/zinc/96/51/42/949965142.db2.gz FLHLQCMBKAPNFB-RYUDHWBXSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180600 949965165 /nfs/dbraw/zinc/96/51/65/949965165.db2.gz FLHLQCMBKAPNFB-RYUDHWBXSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727452 949967264 /nfs/dbraw/zinc/96/72/64/949967264.db2.gz SZNHEUCGXADNBP-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727452 949967287 /nfs/dbraw/zinc/96/72/87/949967287.db2.gz SZNHEUCGXADNBP-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574489725 949968032 /nfs/dbraw/zinc/96/80/32/949968032.db2.gz LLKNGKWDXIUVGM-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574489725 949968046 /nfs/dbraw/zinc/96/80/46/949968046.db2.gz LLKNGKWDXIUVGM-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575286172 949971863 /nfs/dbraw/zinc/97/18/63/949971863.db2.gz UBMUJFRQJKIDPV-NWDGAFQWSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575286172 949971880 /nfs/dbraw/zinc/97/18/80/949971880.db2.gz UBMUJFRQJKIDPV-NWDGAFQWSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180949 949980409 /nfs/dbraw/zinc/98/04/09/949980409.db2.gz KJUANXFSPRJGCY-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180949 949980429 /nfs/dbraw/zinc/98/04/29/949980429.db2.gz KJUANXFSPRJGCY-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574490024 949980637 /nfs/dbraw/zinc/98/06/37/949980637.db2.gz NEOXIVXWHBDWHB-IHRRRGAJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180945 949981427 /nfs/dbraw/zinc/98/14/27/949981427.db2.gz KJUANXFSPRJGCY-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180945 949981446 /nfs/dbraw/zinc/98/14/46/949981446.db2.gz KJUANXFSPRJGCY-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891083 949982581 /nfs/dbraw/zinc/98/25/81/949982581.db2.gz DVEYTOBMPDVRDZ-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891083 949982596 /nfs/dbraw/zinc/98/25/96/949982596.db2.gz DVEYTOBMPDVRDZ-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574490412 949992201 /nfs/dbraw/zinc/99/22/01/949992201.db2.gz REYTYMRKVGZLEZ-MGPQQGTHSA-N -1 1 381.444 0.790 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575289667 949998603 /nfs/dbraw/zinc/99/86/03/949998603.db2.gz BFPDDFLKTDAYOK-VXGBXAGGSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575289667 949998621 /nfs/dbraw/zinc/99/86/21/949998621.db2.gz BFPDDFLKTDAYOK-VXGBXAGGSA-N -1 1 384.448 0.982 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574490528 950004225 /nfs/dbraw/zinc/00/42/25/950004225.db2.gz UGOWSSIIWMZEAO-YRGRVCCFSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574490528 950004250 /nfs/dbraw/zinc/00/42/50/950004250.db2.gz UGOWSSIIWMZEAO-YRGRVCCFSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181942 950027462 /nfs/dbraw/zinc/02/74/62/950027462.db2.gz NFAXZTPJECHONI-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181942 950027484 /nfs/dbraw/zinc/02/74/84/950027484.db2.gz NFAXZTPJECHONI-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182205 950037242 /nfs/dbraw/zinc/03/72/42/950037242.db2.gz NPCLNGMOPFPRTC-GXTWGEPZSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182210 950039322 /nfs/dbraw/zinc/03/93/22/950039322.db2.gz NPCLNGMOPFPRTC-OCCSQVGLSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575892115 950052101 /nfs/dbraw/zinc/05/21/01/950052101.db2.gz RPNIGLAIDSYVSJ-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575892115 950052126 /nfs/dbraw/zinc/05/21/26/950052126.db2.gz RPNIGLAIDSYVSJ-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182504 950055181 /nfs/dbraw/zinc/05/51/81/950055181.db2.gz MNABNYKWPPVKFY-VXGBXAGGSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182504 950055205 /nfs/dbraw/zinc/05/52/05/950055205.db2.gz MNABNYKWPPVKFY-VXGBXAGGSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492014 950055747 /nfs/dbraw/zinc/05/57/47/950055747.db2.gz IGUVUCUVLJRNDX-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182587 950061597 /nfs/dbraw/zinc/06/15/97/950061597.db2.gz ORNGIXPVPHDAJD-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182587 950061617 /nfs/dbraw/zinc/06/16/17/950061617.db2.gz ORNGIXPVPHDAJD-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574732107 950063166 /nfs/dbraw/zinc/06/31/66/950063166.db2.gz GCLWFAKLLMVZDT-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574732107 950063188 /nfs/dbraw/zinc/06/31/88/950063188.db2.gz GCLWFAKLLMVZDT-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574732175 950065961 /nfs/dbraw/zinc/06/59/61/950065961.db2.gz GLKCNFMIUVRAPY-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574732175 950065981 /nfs/dbraw/zinc/06/59/81/950065981.db2.gz GLKCNFMIUVRAPY-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574732235 950071521 /nfs/dbraw/zinc/07/15/21/950071521.db2.gz HLKAJSHRDGHHGV-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574732235 950071540 /nfs/dbraw/zinc/07/15/40/950071540.db2.gz HLKAJSHRDGHHGV-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCOC1 ZINC001575576614 950074187 /nfs/dbraw/zinc/07/41/87/950074187.db2.gz RYMRMKLQSBFANF-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCOC1 ZINC001575576614 950074212 /nfs/dbraw/zinc/07/42/12/950074212.db2.gz RYMRMKLQSBFANF-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183081 950074077 /nfs/dbraw/zinc/07/40/77/950074077.db2.gz QSXVWNXWSRFRLD-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183081 950074100 /nfs/dbraw/zinc/07/41/00/950074100.db2.gz QSXVWNXWSRFRLD-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574492351 950078787 /nfs/dbraw/zinc/07/87/87/950078787.db2.gz MHAHNZWRSZRTAS-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574732918 950082143 /nfs/dbraw/zinc/08/21/43/950082143.db2.gz MSONRKKCZTYRHI-LLVKDONJSA-N -1 1 382.432 0.112 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574732968 950083808 /nfs/dbraw/zinc/08/38/08/950083808.db2.gz ODVJRWKANRHMSN-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574732968 950083833 /nfs/dbraw/zinc/08/38/33/950083833.db2.gz ODVJRWKANRHMSN-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183355 950088111 /nfs/dbraw/zinc/08/81/11/950088111.db2.gz PXFCKSIMUZBECV-RYUDHWBXSA-N -1 1 383.416 0.206 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183462 950088813 /nfs/dbraw/zinc/08/88/13/950088813.db2.gz SDFZUVSCMBUDQZ-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183462 950088830 /nfs/dbraw/zinc/08/88/30/950088830.db2.gz SDFZUVSCMBUDQZ-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183460 950091310 /nfs/dbraw/zinc/09/13/10/950091310.db2.gz SDFZUVSCMBUDQZ-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183460 950091333 /nfs/dbraw/zinc/09/13/33/950091333.db2.gz SDFZUVSCMBUDQZ-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183432 950092166 /nfs/dbraw/zinc/09/21/66/950092166.db2.gz RUNYOLTVEIWOEX-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183432 950092192 /nfs/dbraw/zinc/09/21/92/950092192.db2.gz RUNYOLTVEIWOEX-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573836820 950093177 /nfs/dbraw/zinc/09/31/77/950093177.db2.gz RYQLMFQVBMKOKA-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573836820 950093199 /nfs/dbraw/zinc/09/31/99/950093199.db2.gz RYQLMFQVBMKOKA-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@]1(C(=O)NCC2=CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575582075 950097804 /nfs/dbraw/zinc/09/78/04/950097804.db2.gz DGWXEIZDZDDPCW-SFHVURJKSA-N -1 1 384.444 0.726 20 0 GCADMM C[C@]1(C(=O)NCC2=CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575582075 950097822 /nfs/dbraw/zinc/09/78/22/950097822.db2.gz DGWXEIZDZDDPCW-SFHVURJKSA-N -1 1 384.444 0.726 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733154 950098276 /nfs/dbraw/zinc/09/82/76/950098276.db2.gz UCZJKBBEVZRHKC-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733154 950098298 /nfs/dbraw/zinc/09/82/98/950098298.db2.gz UCZJKBBEVZRHKC-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574492750 950101992 /nfs/dbraw/zinc/10/19/92/950101992.db2.gz CIAQIJYKENVGDU-WCBMZHEXSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575582169 950103553 /nfs/dbraw/zinc/10/35/53/950103553.db2.gz AKVRGCBOLLXZDH-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575582169 950103564 /nfs/dbraw/zinc/10/35/64/950103564.db2.gz AKVRGCBOLLXZDH-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001574492984 950112670 /nfs/dbraw/zinc/11/26/70/950112670.db2.gz PZWPNCPIQAQBPG-LBPRGKRZSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733454 950116040 /nfs/dbraw/zinc/11/60/40/950116040.db2.gz BNXOFVOQEKVGJN-KWCYVHTRSA-N -1 1 379.428 0.536 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574493202 950119544 /nfs/dbraw/zinc/11/95/44/950119544.db2.gz FLHHOEDLSZMTKT-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM O=CNc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC001595295341 950119609 /nfs/dbraw/zinc/11/96/09/950119609.db2.gz FOPYTOSUZNFHHB-RYUDHWBXSA-N -1 1 387.314 0.991 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574733965 950125137 /nfs/dbraw/zinc/12/51/37/950125137.db2.gz IDZCBHUFIWYYMS-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574733965 950125149 /nfs/dbraw/zinc/12/51/49/950125149.db2.gz IDZCBHUFIWYYMS-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184391 950128020 /nfs/dbraw/zinc/12/80/20/950128020.db2.gz VIDDWBKNNPUUCX-NEPJUHHUSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184391 950128034 /nfs/dbraw/zinc/12/80/34/950128034.db2.gz VIDDWBKNNPUUCX-NEPJUHHUSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574493455 950130699 /nfs/dbraw/zinc/13/06/99/950130699.db2.gz HATIFRCFMNMSJU-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574493455 950130711 /nfs/dbraw/zinc/13/07/11/950130711.db2.gz HATIFRCFMNMSJU-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734435 950132247 /nfs/dbraw/zinc/13/22/47/950132247.db2.gz MSAZWFRHXASMGG-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734435 950132264 /nfs/dbraw/zinc/13/22/64/950132264.db2.gz MSAZWFRHXASMGG-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574734398 950133811 /nfs/dbraw/zinc/13/38/11/950133811.db2.gz LRMFIIWSMXOPCJ-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574734398 950133827 /nfs/dbraw/zinc/13/38/27/950133827.db2.gz LRMFIIWSMXOPCJ-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM CC1(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575582901 950134158 /nfs/dbraw/zinc/13/41/58/950134158.db2.gz INOZGGBWLPYTHW-UHFFFAOYSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184458 950134156 /nfs/dbraw/zinc/13/41/56/950134156.db2.gz VTZKOSVWOVWUPW-GXTWGEPZSA-N -1 1 384.444 0.322 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184578 950134771 /nfs/dbraw/zinc/13/47/71/950134771.db2.gz WPXJDGSNBCSLRJ-GXTWGEPZSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574493557 950135872 /nfs/dbraw/zinc/13/58/72/950135872.db2.gz TZXLDEWWTBFRJS-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574493561 950137050 /nfs/dbraw/zinc/13/70/50/950137050.db2.gz TZXLDEWWTBFRJS-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CCCOC1 ZINC001575583039 950138035 /nfs/dbraw/zinc/13/80/35/950138035.db2.gz JSZRGQQKEZBIKF-JWXAPSBJSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CCCOC1 ZINC001575583039 950138044 /nfs/dbraw/zinc/13/80/44/950138044.db2.gz JSZRGQQKEZBIKF-JWXAPSBJSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184721 950141201 /nfs/dbraw/zinc/14/12/01/950141201.db2.gz XDXJKZJJVHIFHR-MFKMUULPSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184721 950141214 /nfs/dbraw/zinc/14/12/14/950141214.db2.gz XDXJKZJJVHIFHR-MFKMUULPSA-N -1 1 383.420 0.138 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573842404 950143305 /nfs/dbraw/zinc/14/33/05/950143305.db2.gz CAQGUHRUWJFBSF-OLZOCXBDSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573842404 950143321 /nfs/dbraw/zinc/14/33/21/950143321.db2.gz CAQGUHRUWJFBSF-OLZOCXBDSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)C[C@@H](O)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573842565 950149660 /nfs/dbraw/zinc/14/96/60/950149660.db2.gz HPKZGPMQQDFFED-JTQLQIEISA-N -1 1 378.437 0.552 20 0 GCADMM CC(C)(C)C[C@@H](O)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573842565 950149694 /nfs/dbraw/zinc/14/96/94/950149694.db2.gz HPKZGPMQQDFFED-JTQLQIEISA-N -1 1 378.437 0.552 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184988 950150436 /nfs/dbraw/zinc/15/04/36/950150436.db2.gz YAPPTNNYNXMSKX-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184988 950150451 /nfs/dbraw/zinc/15/04/51/950150451.db2.gz YAPPTNNYNXMSKX-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184986 950151032 /nfs/dbraw/zinc/15/10/32/950151032.db2.gz YAPCVFYRRABCNX-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184986 950151041 /nfs/dbraw/zinc/15/10/41/950151041.db2.gz YAPCVFYRRABCNX-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574494121 950151257 /nfs/dbraw/zinc/15/12/57/950151257.db2.gz WWIAVXNEJXZYPG-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574494121 950151272 /nfs/dbraw/zinc/15/12/72/950151272.db2.gz WWIAVXNEJXZYPG-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575898409 950154098 /nfs/dbraw/zinc/15/40/98/950154098.db2.gz SCSNUGZMVJSVGP-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185097 950157085 /nfs/dbraw/zinc/15/70/85/950157085.db2.gz ZNGNXDGAGVHFTM-NWDGAFQWSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185097 950157099 /nfs/dbraw/zinc/15/70/99/950157099.db2.gz ZNGNXDGAGVHFTM-NWDGAFQWSA-N -1 1 386.416 0.441 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)CC1 ZINC001575584140 950161288 /nfs/dbraw/zinc/16/12/88/950161288.db2.gz VZAALPIGPJEGJU-AWEZNQCLSA-N -1 1 383.865 0.834 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)CC1 ZINC001575584140 950161301 /nfs/dbraw/zinc/16/13/01/950161301.db2.gz VZAALPIGPJEGJU-AWEZNQCLSA-N -1 1 383.865 0.834 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574494510 950163672 /nfs/dbraw/zinc/16/36/72/950163672.db2.gz KKMWESPUOBSMIM-NWDGAFQWSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574494510 950163684 /nfs/dbraw/zinc/16/36/84/950163684.db2.gz KKMWESPUOBSMIM-NWDGAFQWSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574494512 950167605 /nfs/dbraw/zinc/16/76/05/950167605.db2.gz KKMWESPUOBSMIM-VXGBXAGGSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574494512 950167621 /nfs/dbraw/zinc/16/76/21/950167621.db2.gz KKMWESPUOBSMIM-VXGBXAGGSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)CCOC1 ZINC001575584425 950169078 /nfs/dbraw/zinc/16/90/78/950169078.db2.gz QWNVXPFSAKASBE-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190782 950170905 /nfs/dbraw/zinc/17/09/05/950170905.db2.gz BQBUMWULCMJVTR-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190782 950170927 /nfs/dbraw/zinc/17/09/27/950170927.db2.gz BQBUMWULCMJVTR-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)CCOC1 ZINC001575584424 950171519 /nfs/dbraw/zinc/17/15/19/950171519.db2.gz QWNVXPFSAKASBE-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001574154676 950172787 /nfs/dbraw/zinc/17/27/87/950172787.db2.gz FYXNZERLXOXJSD-CYBMUJFWSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574494702 950178767 /nfs/dbraw/zinc/17/87/67/950178767.db2.gz MYAJALNYIHZWIE-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574494702 950178783 /nfs/dbraw/zinc/17/87/83/950178783.db2.gz MYAJALNYIHZWIE-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575584963 950182605 /nfs/dbraw/zinc/18/26/05/950182605.db2.gz UMFLSJIRXYBUJQ-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575584963 950182618 /nfs/dbraw/zinc/18/26/18/950182618.db2.gz UMFLSJIRXYBUJQ-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1OCCCO1 ZINC001574155039 950182900 /nfs/dbraw/zinc/18/29/00/950182900.db2.gz IJKMOXXFEOMJMP-LBPRGKRZSA-N -1 1 390.448 0.175 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574155044 950183677 /nfs/dbraw/zinc/18/36/77/950183677.db2.gz IPXKFIZGVHMYGK-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574155044 950183695 /nfs/dbraw/zinc/18/36/95/950183695.db2.gz IPXKFIZGVHMYGK-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191072 950185008 /nfs/dbraw/zinc/18/50/08/950185008.db2.gz DLFOGJUJCLVWJP-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191072 950185021 /nfs/dbraw/zinc/18/50/21/950185021.db2.gz DLFOGJUJCLVWJP-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575585005 950187139 /nfs/dbraw/zinc/18/71/39/950187139.db2.gz VFGPBAGMPPOOGX-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575585005 950187152 /nfs/dbraw/zinc/18/71/52/950187152.db2.gz VFGPBAGMPPOOGX-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CCCOC1 ZINC001575585236 950189605 /nfs/dbraw/zinc/18/96/05/950189605.db2.gz XWZKWUDAKMQERA-ZIVKBKJYSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CCCOC1 ZINC001575585236 950189615 /nfs/dbraw/zinc/18/96/15/950189615.db2.gz XWZKWUDAKMQERA-ZIVKBKJYSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC001575585216 950190031 /nfs/dbraw/zinc/19/00/31/950190031.db2.gz XNCXZCPGBABGTI-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC001575585216 950190040 /nfs/dbraw/zinc/19/00/40/950190040.db2.gz XNCXZCPGBABGTI-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001574155490 950191857 /nfs/dbraw/zinc/19/18/57/950191857.db2.gz MDQQLMMTLBOXGU-UONOGXRCSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191365 950193406 /nfs/dbraw/zinc/19/34/06/950193406.db2.gz FOYLLRCOJSEWOB-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191365 950193428 /nfs/dbraw/zinc/19/34/28/950193428.db2.gz FOYLLRCOJSEWOB-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCCOC1 ZINC001575585480 950194797 /nfs/dbraw/zinc/19/47/97/950194797.db2.gz ZYWCJKLWLABYES-JWXAPSBJSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCCOC1 ZINC001575585480 950194802 /nfs/dbraw/zinc/19/48/02/950194802.db2.gz ZYWCJKLWLABYES-JWXAPSBJSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574495176 950195616 /nfs/dbraw/zinc/19/56/16/950195616.db2.gz RKUAFQLEBQVNNZ-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574495176 950195633 /nfs/dbraw/zinc/19/56/33/950195633.db2.gz RKUAFQLEBQVNNZ-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191569 950200815 /nfs/dbraw/zinc/20/08/15/950200815.db2.gz GWRVMGCHZGEEQI-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191569 950200840 /nfs/dbraw/zinc/20/08/40/950200840.db2.gz GWRVMGCHZGEEQI-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574155633 950201542 /nfs/dbraw/zinc/20/15/42/950201542.db2.gz PHISUOLRBQNZEH-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574155633 950201560 /nfs/dbraw/zinc/20/15/60/950201560.db2.gz PHISUOLRBQNZEH-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574495370 950203985 /nfs/dbraw/zinc/20/39/85/950203985.db2.gz SNBFFQLZKFXQAN-YPMHNXCESA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574495366 950204319 /nfs/dbraw/zinc/20/43/19/950204319.db2.gz SNBFFQLZKFXQAN-DGCLKSJQSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574495675 950207069 /nfs/dbraw/zinc/20/70/69/950207069.db2.gz UNRZKDJEWYCMHK-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574495675 950207086 /nfs/dbraw/zinc/20/70/86/950207086.db2.gz UNRZKDJEWYCMHK-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191733 950210203 /nfs/dbraw/zinc/21/02/03/950210203.db2.gz HXXZQWGBMQXDOB-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191733 950210214 /nfs/dbraw/zinc/21/02/14/950210214.db2.gz HXXZQWGBMQXDOB-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574496106 950212185 /nfs/dbraw/zinc/21/21/85/950212185.db2.gz VPUVCEPLRKQFIL-OCCSQVGLSA-N -1 1 381.444 0.838 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574156028 950214630 /nfs/dbraw/zinc/21/46/30/950214630.db2.gz UQOKJIPRGFLBBP-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574156028 950214653 /nfs/dbraw/zinc/21/46/53/950214653.db2.gz UQOKJIPRGFLBBP-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1ccnc1 ZINC001574156015 950214804 /nfs/dbraw/zinc/21/48/04/950214804.db2.gz UJFOATUDCKKAHK-ZDUSSCGKSA-N -1 1 384.448 0.308 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901158 950218893 /nfs/dbraw/zinc/21/88/93/950218893.db2.gz LTTVXYZFRFPHQY-GXSJLCMTSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901160 950218933 /nfs/dbraw/zinc/21/89/33/950218933.db2.gz LTTVXYZFRFPHQY-MWLCHTKSSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001574497030 950223545 /nfs/dbraw/zinc/22/35/45/950223545.db2.gz YGSOVXPJZYZNPA-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001574497030 950223563 /nfs/dbraw/zinc/22/35/63/950223563.db2.gz YGSOVXPJZYZNPA-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192034 950224892 /nfs/dbraw/zinc/22/48/92/950224892.db2.gz JMUJHNQFTWZVID-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192034 950224912 /nfs/dbraw/zinc/22/49/12/950224912.db2.gz JMUJHNQFTWZVID-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574740208 950225167 /nfs/dbraw/zinc/22/51/67/950225167.db2.gz BXKZHSSFEJDWMY-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574740208 950225185 /nfs/dbraw/zinc/22/51/85/950225185.db2.gz BXKZHSSFEJDWMY-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192032 950225472 /nfs/dbraw/zinc/22/54/72/950225472.db2.gz JJURZNXHFBHKBI-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192032 950225488 /nfs/dbraw/zinc/22/54/88/950225488.db2.gz JJURZNXHFBHKBI-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574156146 950227451 /nfs/dbraw/zinc/22/74/51/950227451.db2.gz XPHOKQXMUJOSNU-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574156146 950227471 /nfs/dbraw/zinc/22/74/71/950227471.db2.gz XPHOKQXMUJOSNU-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574497293 950228989 /nfs/dbraw/zinc/22/89/89/950228989.db2.gz ZCFSVCSAPKRVMB-NWDGAFQWSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574497293 950229009 /nfs/dbraw/zinc/22/90/09/950229009.db2.gz ZCFSVCSAPKRVMB-NWDGAFQWSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901267 950230763 /nfs/dbraw/zinc/23/07/63/950230763.db2.gz MVXYFHAGNZMGPF-DTWKUNHWSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901267 950230778 /nfs/dbraw/zinc/23/07/78/950230778.db2.gz MVXYFHAGNZMGPF-DTWKUNHWSA-N -1 1 387.429 0.606 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157540 950239925 /nfs/dbraw/zinc/23/99/25/950239925.db2.gz CPTVVDMMWWLQSZ-NSHDSACASA-N -1 1 383.416 0.436 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192401 950244262 /nfs/dbraw/zinc/24/42/62/950244262.db2.gz MNRDLDCSELEAEG-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192401 950244284 /nfs/dbraw/zinc/24/42/84/950244284.db2.gz MNRDLDCSELEAEG-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001574157741 950250744 /nfs/dbraw/zinc/25/07/44/950250744.db2.gz HRHUSRHUZIXENJ-SECBINFHSA-N -1 1 389.445 0.497 20 0 GCADMM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573849776 950259013 /nfs/dbraw/zinc/25/90/13/950259013.db2.gz BNTNCYXXICFVNA-SECBINFHSA-N -1 1 379.402 0.426 20 0 GCADMM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573849776 950259031 /nfs/dbraw/zinc/25/90/31/950259031.db2.gz BNTNCYXXICFVNA-SECBINFHSA-N -1 1 379.402 0.426 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192822 950265357 /nfs/dbraw/zinc/26/53/57/950265357.db2.gz PRUJBHUAZAOCMJ-UWVGGRQHSA-N -1 1 386.395 0.729 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574157930 950265369 /nfs/dbraw/zinc/26/53/69/950265369.db2.gz LHRFZAOTSRKCQE-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574157930 950265389 /nfs/dbraw/zinc/26/53/89/950265389.db2.gz LHRFZAOTSRKCQE-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192822 950265373 /nfs/dbraw/zinc/26/53/73/950265373.db2.gz PRUJBHUAZAOCMJ-UWVGGRQHSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001575902872 950266984 /nfs/dbraw/zinc/26/69/84/950266984.db2.gz XOKCUPJFHJPHPS-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192803 950267703 /nfs/dbraw/zinc/26/77/03/950267703.db2.gz PFBKONLZIOHFIG-DGCLKSJQSA-N -1 1 380.416 0.079 20 0 GCADMM C[C@@]1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575592024 950271956 /nfs/dbraw/zinc/27/19/56/950271956.db2.gz AHAORJVZFCAKKH-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575592024 950271971 /nfs/dbraw/zinc/27/19/71/950271971.db2.gz AHAORJVZFCAKKH-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574158461 950279910 /nfs/dbraw/zinc/27/99/10/950279910.db2.gz AYOIEYZMQXRBFF-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574158461 950279933 /nfs/dbraw/zinc/27/99/33/950279933.db2.gz AYOIEYZMQXRBFF-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@]1(C(=O)NCCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575592243 950280403 /nfs/dbraw/zinc/28/04/03/950280403.db2.gz DXWJLUSOYSCIKK-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575592243 950280420 /nfs/dbraw/zinc/28/04/20/950280420.db2.gz DXWJLUSOYSCIKK-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574158460 950282899 /nfs/dbraw/zinc/28/28/99/950282899.db2.gz AYOIEYZMQXRBFF-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574158460 950282917 /nfs/dbraw/zinc/28/29/17/950282917.db2.gz AYOIEYZMQXRBFF-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574498843 950286551 /nfs/dbraw/zinc/28/65/51/950286551.db2.gz QFMMGGKAQWSDDU-NEPJUHHUSA-N -1 1 376.465 0.430 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1=O ZINC001573851149 950287431 /nfs/dbraw/zinc/28/74/31/950287431.db2.gz SSSGKQVUILTJJG-LLVKDONJSA-N -1 1 388.432 0.791 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1=O ZINC001573851149 950287447 /nfs/dbraw/zinc/28/74/47/950287447.db2.gz SSSGKQVUILTJJG-LLVKDONJSA-N -1 1 388.432 0.791 20 0 GCADMM CC(C)(C)OC(=O)COCCOCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001573851191 950287861 /nfs/dbraw/zinc/28/78/61/950287861.db2.gz UOJDKNQZADKXNG-UHFFFAOYSA-N -1 1 381.389 0.564 20 0 GCADMM CC(C)(C)OC(=O)COCCOCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001573851191 950287876 /nfs/dbraw/zinc/28/78/76/950287876.db2.gz UOJDKNQZADKXNG-UHFFFAOYSA-N -1 1 381.389 0.564 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574498914 950290086 /nfs/dbraw/zinc/29/00/86/950290086.db2.gz REWQRVHFCDLLOL-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574498914 950290110 /nfs/dbraw/zinc/29/01/10/950290110.db2.gz REWQRVHFCDLLOL-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574498867 950290898 /nfs/dbraw/zinc/29/08/98/950290898.db2.gz QPHWVYJBRWORHI-GXTWGEPZSA-N -1 1 382.428 0.161 20 0 GCADMM C[C@@H](CC(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CC1 ZINC001574499191 950292834 /nfs/dbraw/zinc/29/28/34/950292834.db2.gz SOXSMSDYEVUSQA-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CC1 ZINC001574499191 950292846 /nfs/dbraw/zinc/29/28/46/950292846.db2.gz SOXSMSDYEVUSQA-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)CO1 ZINC001573851372 950293311 /nfs/dbraw/zinc/29/33/11/950293311.db2.gz WIBGWIQKOIXJKM-ZJUUUORDSA-N -1 1 377.405 0.813 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccncc1F ZINC001574159253 950294434 /nfs/dbraw/zinc/29/44/34/950294434.db2.gz UWEBUXYDEKZGQT-NSHDSACASA-N -1 1 385.407 0.869 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574158918 950297485 /nfs/dbraw/zinc/29/74/85/950297485.db2.gz FMWCCXZFWNJIBG-WCQYABFASA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574158918 950297510 /nfs/dbraw/zinc/29/75/10/950297510.db2.gz FMWCCXZFWNJIBG-WCQYABFASA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)n1cccn1 ZINC001574499435 950300761 /nfs/dbraw/zinc/30/07/61/950300761.db2.gz VNIWHPSJPPPJTI-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)n1cccn1 ZINC001574499435 950300782 /nfs/dbraw/zinc/30/07/82/950300782.db2.gz VNIWHPSJPPPJTI-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(c1cc(-c3nnn[n-]3)ncn1)CCO2 ZINC001573852088 950303872 /nfs/dbraw/zinc/30/38/72/950303872.db2.gz CJTAVBKXKFQAHP-QGZVFWFLSA-N -1 1 388.432 0.873 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(c1cc(-c3nn[n-]n3)ncn1)CCO2 ZINC001573852088 950303896 /nfs/dbraw/zinc/30/38/96/950303896.db2.gz CJTAVBKXKFQAHP-QGZVFWFLSA-N -1 1 388.432 0.873 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574499729 950306234 /nfs/dbraw/zinc/30/62/34/950306234.db2.gz WLCOBCVHFNOEEN-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574499729 950306258 /nfs/dbraw/zinc/30/62/58/950306258.db2.gz WLCOBCVHFNOEEN-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193657 950308012 /nfs/dbraw/zinc/30/80/12/950308012.db2.gz VZZBTRFCHAFZBF-OCCSQVGLSA-N -1 1 379.428 0.684 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193609 950308489 /nfs/dbraw/zinc/30/84/89/950308489.db2.gz UTTJXKSFNZKXQJ-ZJUUUORDSA-N -1 1 386.395 0.151 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cnn(C)c1 ZINC001574159392 950308979 /nfs/dbraw/zinc/30/89/79/950308979.db2.gz GZZWHVJOTQJQNT-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cnn(C)c1 ZINC001574159392 950309000 /nfs/dbraw/zinc/30/90/00/950309000.db2.gz GZZWHVJOTQJQNT-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574500027 950309015 /nfs/dbraw/zinc/30/90/15/950309015.db2.gz XWSLVHYFHVCMPH-XNWIYYODSA-N -1 1 384.366 0.974 20 0 GCADMM CC1(C(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001575593537 950315692 /nfs/dbraw/zinc/31/56/92/950315692.db2.gz HKCOSEKXNMUQGC-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001575593537 950315711 /nfs/dbraw/zinc/31/57/11/950315711.db2.gz HKCOSEKXNMUQGC-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](CO)C1 ZINC001573853444 950321003 /nfs/dbraw/zinc/32/10/03/950321003.db2.gz PBLJYSOLGJXLLZ-JTQLQIEISA-N -1 1 378.389 0.514 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](CO)C1 ZINC001573853444 950321022 /nfs/dbraw/zinc/32/10/22/950321022.db2.gz PBLJYSOLGJXLLZ-JTQLQIEISA-N -1 1 378.389 0.514 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193982 950321276 /nfs/dbraw/zinc/32/12/76/950321276.db2.gz WYONUFJISRVCMR-NWDGAFQWSA-N -1 1 380.416 0.079 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](CO)C1 ZINC001573853447 950321686 /nfs/dbraw/zinc/32/16/86/950321686.db2.gz PBLJYSOLGJXLLZ-SNVBAGLBSA-N -1 1 378.389 0.514 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](CO)C1 ZINC001573853447 950321707 /nfs/dbraw/zinc/32/17/07/950321707.db2.gz PBLJYSOLGJXLLZ-SNVBAGLBSA-N -1 1 378.389 0.514 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)n1cncn1 ZINC001574159831 950322839 /nfs/dbraw/zinc/32/28/39/950322839.db2.gz KETYPDNAGZKMCG-RYUDHWBXSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)n1cncn1 ZINC001574159831 950322860 /nfs/dbraw/zinc/32/28/60/950322860.db2.gz KETYPDNAGZKMCG-RYUDHWBXSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001573853726 950329597 /nfs/dbraw/zinc/32/95/97/950329597.db2.gz UTVVBLNDCYYQSF-QGZVFWFLSA-N -1 1 388.432 0.873 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001573853726 950329618 /nfs/dbraw/zinc/32/96/18/950329618.db2.gz UTVVBLNDCYYQSF-QGZVFWFLSA-N -1 1 388.432 0.873 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573853953 950333352 /nfs/dbraw/zinc/33/33/52/950333352.db2.gz VGBUAJFXPPZSFU-QWRGUYRKSA-N -1 1 378.389 0.560 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573853953 950333374 /nfs/dbraw/zinc/33/33/74/950333374.db2.gz VGBUAJFXPPZSFU-QWRGUYRKSA-N -1 1 378.389 0.560 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C1CC1 ZINC001574501650 950336958 /nfs/dbraw/zinc/33/69/58/950336958.db2.gz FTKVLLYWHXNLCS-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C1CC1 ZINC001574501650 950336983 /nfs/dbraw/zinc/33/69/83/950336983.db2.gz FTKVLLYWHXNLCS-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001573854752 950346144 /nfs/dbraw/zinc/34/61/44/950346144.db2.gz FLLJFDGINNBUND-OIMNJJJWSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001573854752 950346160 /nfs/dbraw/zinc/34/61/60/950346160.db2.gz FLLJFDGINNBUND-OIMNJJJWSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576194496 950348448 /nfs/dbraw/zinc/34/84/48/950348448.db2.gz ZJOLNCWIWYFDGN-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576194496 950348471 /nfs/dbraw/zinc/34/84/71/950348471.db2.gz ZJOLNCWIWYFDGN-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194525 950349383 /nfs/dbraw/zinc/34/93/83/950349383.db2.gz ZQHRJKZXZDRHGL-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194525 950349404 /nfs/dbraw/zinc/34/94/04/950349404.db2.gz ZQHRJKZXZDRHGL-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CC1 ZINC001574502209 950362213 /nfs/dbraw/zinc/36/22/13/950362213.db2.gz KNYCAIIZNPIYRF-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CC1 ZINC001574502209 950362235 /nfs/dbraw/zinc/36/22/35/950362235.db2.gz KNYCAIIZNPIYRF-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001573855326 950366725 /nfs/dbraw/zinc/36/67/25/950366725.db2.gz QPEAFWIAPRCJDS-UMSGYPCISA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001573855326 950366744 /nfs/dbraw/zinc/36/67/44/950366744.db2.gz QPEAFWIAPRCJDS-UMSGYPCISA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574502228 950366795 /nfs/dbraw/zinc/36/67/95/950366795.db2.gz KQLZGSDEZPUJNJ-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)CCOC1 ZINC001575596016 950367062 /nfs/dbraw/zinc/36/70/62/950367062.db2.gz RLHGVSYIXJGBLR-SJKOYZFVSA-N -1 1 392.485 0.672 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574161794 950367363 /nfs/dbraw/zinc/36/73/63/950367363.db2.gz XGYVXDBEXXQGRR-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574161794 950367381 /nfs/dbraw/zinc/36/73/81/950367381.db2.gz XGYVXDBEXXQGRR-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574161801 950371020 /nfs/dbraw/zinc/37/10/20/950371020.db2.gz XIRSSNRAUGUCHR-NWDGAFQWSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574161801 950371034 /nfs/dbraw/zinc/37/10/34/950371034.db2.gz XIRSSNRAUGUCHR-NWDGAFQWSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CN1CCCC1=O ZINC001574162465 950380082 /nfs/dbraw/zinc/38/00/82/950380082.db2.gz BBFSCPLCKHAHFJ-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CN1CCCC1=O ZINC001574162465 950380103 /nfs/dbraw/zinc/38/01/03/950380103.db2.gz BBFSCPLCKHAHFJ-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574745294 950380838 /nfs/dbraw/zinc/38/08/38/950380838.db2.gz HWOVXQFWFHEWLO-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574745294 950380856 /nfs/dbraw/zinc/38/08/56/950380856.db2.gz HWOVXQFWFHEWLO-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1c[nH]c(=O)n1C ZINC001574162449 950381438 /nfs/dbraw/zinc/38/14/38/950381438.db2.gz ASOZZAKTYAXENC-JTQLQIEISA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1c[nH]c(=O)n1C ZINC001574162449 950381461 /nfs/dbraw/zinc/38/14/61/950381461.db2.gz ASOZZAKTYAXENC-JTQLQIEISA-N -1 1 386.420 0.352 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574502510 950385317 /nfs/dbraw/zinc/38/53/17/950385317.db2.gz ONGYZDGAVDDCJD-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574502510 950385335 /nfs/dbraw/zinc/38/53/35/950385335.db2.gz ONGYZDGAVDDCJD-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574502493 950385586 /nfs/dbraw/zinc/38/55/86/950385586.db2.gz OAAGVFMXKGTCEU-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574502493 950385610 /nfs/dbraw/zinc/38/56/10/950385610.db2.gz OAAGVFMXKGTCEU-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574745756 950386443 /nfs/dbraw/zinc/38/64/43/950386443.db2.gz KBJJTILRRSEEDK-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574745756 950386463 /nfs/dbraw/zinc/38/64/63/950386463.db2.gz KBJJTILRRSEEDK-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574746244 950392353 /nfs/dbraw/zinc/39/23/53/950392353.db2.gz NAKBIKBKKSJMNT-QMMMGPOBSA-N -1 1 390.358 0.379 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(F)CCOC1 ZINC001574162803 950405436 /nfs/dbraw/zinc/40/54/36/950405436.db2.gz JKGUKNLOFNNTFQ-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(F)CCOC1 ZINC001574162803 950405450 /nfs/dbraw/zinc/40/54/50/950405450.db2.gz JKGUKNLOFNNTFQ-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@]1(F)CCOC1 ZINC001574162804 950405806 /nfs/dbraw/zinc/40/58/06/950405806.db2.gz JKGUKNLOFNNTFQ-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574162804 950405824 /nfs/dbraw/zinc/40/58/24/950405824.db2.gz JKGUKNLOFNNTFQ-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3ccnc(-c4nnn[n-]4)c3)[C@H]2C1 ZINC001573857727 950414376 /nfs/dbraw/zinc/41/43/76/950414376.db2.gz YCJBOFKDMOMPFK-IMRBUKKESA-N -1 1 385.428 0.991 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3ccnc(-c4nn[n-]n4)c3)[C@H]2C1 ZINC001573857727 950414386 /nfs/dbraw/zinc/41/43/86/950414386.db2.gz YCJBOFKDMOMPFK-IMRBUKKESA-N -1 1 385.428 0.991 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCNC1=O ZINC001574162989 950414613 /nfs/dbraw/zinc/41/46/13/950414613.db2.gz OTUQQHWJHGXPGB-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCNC1=O ZINC001574162989 950414630 /nfs/dbraw/zinc/41/46/30/950414630.db2.gz OTUQQHWJHGXPGB-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)OC(=O)NCC1(CC(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001573860070 950418130 /nfs/dbraw/zinc/41/81/30/950418130.db2.gz COEFOHSNLMGCNP-UHFFFAOYSA-N -1 1 391.436 0.269 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574747909 950420974 /nfs/dbraw/zinc/42/09/74/950420974.db2.gz ZYSYXXNAGOMLGV-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574747909 950420985 /nfs/dbraw/zinc/42/09/85/950420985.db2.gz ZYSYXXNAGOMLGV-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574747901 950421262 /nfs/dbraw/zinc/42/12/62/950421262.db2.gz ZYFIXRAAKGEXLV-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccnn1 ZINC001574163387 950424150 /nfs/dbraw/zinc/42/41/50/950424150.db2.gz SZBGOTRXHYBRRQ-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccnn1 ZINC001574163387 950424165 /nfs/dbraw/zinc/42/41/65/950424165.db2.gz SZBGOTRXHYBRRQ-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574163568 950430570 /nfs/dbraw/zinc/43/05/70/950430570.db2.gz WFWFDLDYHZKRIC-CYBMUJFWSA-N -1 1 388.476 0.526 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001573860984 950430819 /nfs/dbraw/zinc/43/08/19/950430819.db2.gz NUXMPMJKWBGMKF-JTQLQIEISA-N -1 1 378.389 0.787 20 0 GCADMM CC(C)(C)OC(=O)NCCN(CCO)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001573861003 950431812 /nfs/dbraw/zinc/43/18/12/950431812.db2.gz OQZVMPAHZSZXPE-UHFFFAOYSA-N -1 1 390.448 0.858 20 0 GCADMM CC(C)(C)OC(=O)NCCN(CCO)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001573861003 950431831 /nfs/dbraw/zinc/43/18/31/950431831.db2.gz OQZVMPAHZSZXPE-UHFFFAOYSA-N -1 1 390.448 0.858 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574163739 950433825 /nfs/dbraw/zinc/43/38/25/950433825.db2.gz XEFQAOOHYYRSLQ-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574163739 950433841 /nfs/dbraw/zinc/43/38/41/950433841.db2.gz XEFQAOOHYYRSLQ-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@@H](CCNC(=O)C[C@H](C)c1ccncc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574506620 950438559 /nfs/dbraw/zinc/43/85/59/950438559.db2.gz AXAFODGJZNXOKH-STQMWFEESA-N -1 1 381.444 0.974 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574750690 950438891 /nfs/dbraw/zinc/43/88/91/950438891.db2.gz FZBQBGCTZQITKQ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574750690 950438905 /nfs/dbraw/zinc/43/89/05/950438905.db2.gz FZBQBGCTZQITKQ-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001573861095 950440063 /nfs/dbraw/zinc/44/00/63/950440063.db2.gz SPJMGBFLNOGUAA-LLVKDONJSA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001573861095 950440085 /nfs/dbraw/zinc/44/00/85/950440085.db2.gz SPJMGBFLNOGUAA-LLVKDONJSA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1OCCCO1 ZINC001574163868 950440685 /nfs/dbraw/zinc/44/06/85/950440685.db2.gz ZTFLTDNJNLDJFN-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1OCCCO1 ZINC001574163868 950440696 /nfs/dbraw/zinc/44/06/96/950440696.db2.gz ZTFLTDNJNLDJFN-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)OC(=O)NOCCCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001573861296 950444051 /nfs/dbraw/zinc/44/40/51/950444051.db2.gz XOKVGSGKQYFFAM-UHFFFAOYSA-N -1 1 377.405 0.767 20 0 GCADMM CC(C)(C)OC(=O)NOCCCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001573861296 950444059 /nfs/dbraw/zinc/44/40/59/950444059.db2.gz XOKVGSGKQYFFAM-UHFFFAOYSA-N -1 1 377.405 0.767 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCCOC1 ZINC001573861297 950445009 /nfs/dbraw/zinc/44/50/09/950445009.db2.gz XOPHMOGQXOOPDO-INIZCTEOSA-N -1 1 392.420 0.850 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCCOC1 ZINC001573861297 950445020 /nfs/dbraw/zinc/44/50/20/950445020.db2.gz XOPHMOGQXOOPDO-INIZCTEOSA-N -1 1 392.420 0.850 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001573861599 950448790 /nfs/dbraw/zinc/44/87/90/950448790.db2.gz CJCFTAQGAOZYGG-SKDRFNHKSA-N -1 1 375.389 0.882 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001573861599 950448809 /nfs/dbraw/zinc/44/88/09/950448809.db2.gz CJCFTAQGAOZYGG-SKDRFNHKSA-N -1 1 375.389 0.882 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)CCC1 ZINC001574165535 950448693 /nfs/dbraw/zinc/44/86/93/950448693.db2.gz GOSGADQATVRSQU-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)CCC1 ZINC001574165535 950448715 /nfs/dbraw/zinc/44/87/15/950448715.db2.gz GOSGADQATVRSQU-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)CCC1 ZINC001574165536 950451032 /nfs/dbraw/zinc/45/10/32/950451032.db2.gz GOSGADQATVRSQU-ZIAGYGMSSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)CCC1 ZINC001574165536 950451046 /nfs/dbraw/zinc/45/10/46/950451046.db2.gz GOSGADQATVRSQU-ZIAGYGMSSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574751036 950451459 /nfs/dbraw/zinc/45/14/59/950451459.db2.gz KGGVICSGRPPCCP-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574751036 950451482 /nfs/dbraw/zinc/45/14/82/950451482.db2.gz KGGVICSGRPPCCP-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574751444 950456318 /nfs/dbraw/zinc/45/63/18/950456318.db2.gz NQRUSHFNSLCYIM-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574751444 950456329 /nfs/dbraw/zinc/45/63/29/950456329.db2.gz NQRUSHFNSLCYIM-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574507323 950456390 /nfs/dbraw/zinc/45/63/90/950456390.db2.gz HWOGJYWPSWYDKJ-MCIONIFRSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2ncccc2o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751430 950456730 /nfs/dbraw/zinc/45/67/30/950456730.db2.gz NHUXVSNJIYZGPW-SNVBAGLBSA-N -1 1 379.384 0.792 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001573862210 950461614 /nfs/dbraw/zinc/46/16/14/950461614.db2.gz PGTHLJCZGQKJIW-MNOVXSKESA-N -1 1 391.436 0.268 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575605478 950463056 /nfs/dbraw/zinc/46/30/56/950463056.db2.gz PIMASVSRNLFYPM-SDFXEEBMSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575605478 950463068 /nfs/dbraw/zinc/46/30/68/950463068.db2.gz PIMASVSRNLFYPM-SDFXEEBMSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cncn1C ZINC001575912571 950465032 /nfs/dbraw/zinc/46/50/32/950465032.db2.gz HHCKWNNXAJROPM-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574508120 950467958 /nfs/dbraw/zinc/46/79/58/950467958.db2.gz IPANNBHXKUENCV-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574508120 950467968 /nfs/dbraw/zinc/46/79/68/950467968.db2.gz IPANNBHXKUENCV-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575912631 950468221 /nfs/dbraw/zinc/46/82/21/950468221.db2.gz HVVTUHGOXLVWKY-KOLCDFICSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574507997 950468522 /nfs/dbraw/zinc/46/85/22/950468522.db2.gz LIOMZQMNMUIKSI-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574507997 950468542 /nfs/dbraw/zinc/46/85/42/950468542.db2.gz LIOMZQMNMUIKSI-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575912635 950470191 /nfs/dbraw/zinc/47/01/91/950470191.db2.gz HXAZCDKOPVODDH-GXSJLCMTSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575912635 950470202 /nfs/dbraw/zinc/47/02/02/950470202.db2.gz HXAZCDKOPVODDH-GXSJLCMTSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1nccnc1-c1nnn[n-]1 ZINC001574752146 950473557 /nfs/dbraw/zinc/47/35/57/950473557.db2.gz UKYZUHPMIBSBRD-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1nccnc1-c1nn[n-]n1 ZINC001574752146 950473567 /nfs/dbraw/zinc/47/35/67/950473567.db2.gz UKYZUHPMIBSBRD-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575913120 950477711 /nfs/dbraw/zinc/47/77/11/950477711.db2.gz IRULSRXOMROYTQ-NEPJUHHUSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575913120 950477725 /nfs/dbraw/zinc/47/77/25/950477725.db2.gz IRULSRXOMROYTQ-NEPJUHHUSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752349 950480663 /nfs/dbraw/zinc/48/06/63/950480663.db2.gz BGXRFCQDHVAGMY-LLVKDONJSA-N -1 1 382.432 0.112 20 0 GCADMM CC(C)(C)OC(=O)c1cnc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001573863620 950484102 /nfs/dbraw/zinc/48/41/02/950484102.db2.gz MPDRDMCGMBAQOA-UHFFFAOYSA-N -1 1 388.413 0.999 20 0 GCADMM CC(C)(C)OC(=O)c1cnc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001573863620 950484121 /nfs/dbraw/zinc/48/41/21/950484121.db2.gz MPDRDMCGMBAQOA-UHFFFAOYSA-N -1 1 388.413 0.999 20 0 GCADMM C[C@H](CC(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(N)=O ZINC001574508965 950490216 /nfs/dbraw/zinc/49/02/16/950490216.db2.gz RMILLZLWTCDAJS-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CC(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(N)=O ZINC001574508965 950490231 /nfs/dbraw/zinc/49/02/31/950490231.db2.gz RMILLZLWTCDAJS-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Br)c[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574994978 950498707 /nfs/dbraw/zinc/49/87/07/950498707.db2.gz BMPPEBYXWSGUSA-ZETCQYMHSA-N -1 1 392.221 0.400 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574509235 950498970 /nfs/dbraw/zinc/49/89/70/950498970.db2.gz TZIMRYQUFYWIHV-RWMBFGLXSA-N -1 1 382.432 0.233 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)CCC1 ZINC001574167936 950499456 /nfs/dbraw/zinc/49/94/56/950499456.db2.gz LMZRSGYMEPGQKO-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)CCC1 ZINC001574167936 950499477 /nfs/dbraw/zinc/49/94/77/950499477.db2.gz LMZRSGYMEPGQKO-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)n1ccnc1 ZINC001574509363 950509564 /nfs/dbraw/zinc/50/95/64/950509564.db2.gz RQGKGFDOBGANLT-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n(C)n1 ZINC001574995713 950513718 /nfs/dbraw/zinc/51/37/18/950513718.db2.gz HNMFAKLXGNQXEE-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n(C)n1 ZINC001574995713 950513737 /nfs/dbraw/zinc/51/37/37/950513737.db2.gz HNMFAKLXGNQXEE-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573866760 950516542 /nfs/dbraw/zinc/51/65/42/950516542.db2.gz LJFDFEFEQFEEHF-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866924 950517251 /nfs/dbraw/zinc/51/72/51/950517251.db2.gz NSILMCTZIXEAJH-TZMCWYRMSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866924 950517270 /nfs/dbraw/zinc/51/72/70/950517270.db2.gz NSILMCTZIXEAJH-TZMCWYRMSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573867059 950518716 /nfs/dbraw/zinc/51/87/16/950518716.db2.gz OXCYWANXHRGJIP-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573867059 950518738 /nfs/dbraw/zinc/51/87/38/950518738.db2.gz OXCYWANXHRGJIP-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574995969 950520255 /nfs/dbraw/zinc/52/02/55/950520255.db2.gz IZHCXBHRGRBGKX-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574995969 950520283 /nfs/dbraw/zinc/52/02/83/950520283.db2.gz IZHCXBHRGRBGKX-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574995992 950520643 /nfs/dbraw/zinc/52/06/43/950520643.db2.gz JFRLHQFOIPFEEB-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573867091 950521228 /nfs/dbraw/zinc/52/12/28/950521228.db2.gz PCGIAWFSXOHUSH-LLVKDONJSA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573867091 950521246 /nfs/dbraw/zinc/52/12/46/950521246.db2.gz PCGIAWFSXOHUSH-LLVKDONJSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574509608 950522327 /nfs/dbraw/zinc/52/23/27/950522327.db2.gz XMCFSVWVLOWMFW-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574509608 950522340 /nfs/dbraw/zinc/52/23/40/950522340.db2.gz XMCFSVWVLOWMFW-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753401 950522763 /nfs/dbraw/zinc/52/27/63/950522763.db2.gz MJCAXQBWGZQOLQ-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753401 950522780 /nfs/dbraw/zinc/52/27/80/950522780.db2.gz MJCAXQBWGZQOLQ-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM CC(C)CCC(=O)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574169626 950524924 /nfs/dbraw/zinc/52/49/24/950524924.db2.gz BDQPIKYKRKPNJA-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574169626 950524936 /nfs/dbraw/zinc/52/49/36/950524936.db2.gz BDQPIKYKRKPNJA-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574997002 950533318 /nfs/dbraw/zinc/53/33/18/950533318.db2.gz PPSDALVAQOEMCF-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574997002 950533339 /nfs/dbraw/zinc/53/33/39/950533339.db2.gz PPSDALVAQOEMCF-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CC(F)(F)C1 ZINC001575614645 950544552 /nfs/dbraw/zinc/54/45/52/950544552.db2.gz KZQRQWFJASUKRW-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CC(F)(F)C1 ZINC001575614645 950544575 /nfs/dbraw/zinc/54/45/75/950544575.db2.gz KZQRQWFJASUKRW-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574997355 950545424 /nfs/dbraw/zinc/54/54/24/950545424.db2.gz UDRYBQZOGQONHG-SNVBAGLBSA-N -1 1 385.432 0.842 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)CC(C)(C)C ZINC001574510900 950551108 /nfs/dbraw/zinc/55/11/08/950551108.db2.gz DIBPLYIMJQYKQC-JHJVBQTASA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574998807 950561075 /nfs/dbraw/zinc/56/10/75/950561075.db2.gz AMJHXURAOLAKFN-SNVBAGLBSA-N -1 1 386.420 0.184 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575614976 950562949 /nfs/dbraw/zinc/56/29/49/950562949.db2.gz XHEZLHPVYCVEIS-BKTMZONDSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575614976 950562958 /nfs/dbraw/zinc/56/29/58/950562958.db2.gz XHEZLHPVYCVEIS-BKTMZONDSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574754144 950563409 /nfs/dbraw/zinc/56/34/09/950563409.db2.gz YLEHNOYOLUXVHD-LLVKDONJSA-N -1 1 380.412 0.586 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574511575 950565582 /nfs/dbraw/zinc/56/55/82/950565582.db2.gz MLZFZUMKKGMUOZ-GBOPCIDUSA-N -1 1 394.443 0.730 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574998887 950565907 /nfs/dbraw/zinc/56/59/07/950565907.db2.gz CADZLZHMODIFKN-ZETCQYMHSA-N -1 1 376.331 0.037 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574511576 950565953 /nfs/dbraw/zinc/56/59/53/950565953.db2.gz MLZFZUMKKGMUOZ-MXYBEHONSA-N -1 1 394.443 0.730 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001573869944 950582543 /nfs/dbraw/zinc/58/25/43/950582543.db2.gz SBYLPOGAFXAWRU-OLZOCXBDSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001573869944 950582555 /nfs/dbraw/zinc/58/25/55/950582555.db2.gz SBYLPOGAFXAWRU-OLZOCXBDSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575918132 950584429 /nfs/dbraw/zinc/58/44/29/950584429.db2.gz AMMDKVZXXXZFRW-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575918132 950584445 /nfs/dbraw/zinc/58/44/45/950584445.db2.gz AMMDKVZXXXZFRW-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574999517 950585621 /nfs/dbraw/zinc/58/56/21/950585621.db2.gz LDOXAOIHPMUHCA-QMMMGPOBSA-N -1 1 390.358 0.639 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574999517 950585639 /nfs/dbraw/zinc/58/56/39/950585639.db2.gz LDOXAOIHPMUHCA-QMMMGPOBSA-N -1 1 390.358 0.639 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573870151 950586339 /nfs/dbraw/zinc/58/63/39/950586339.db2.gz FHKDHFPZSIWKOQ-ZETCQYMHSA-N -1 1 389.869 0.681 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574999786 950588753 /nfs/dbraw/zinc/58/87/53/950588753.db2.gz NOCOUTBNGZDJOD-ZETCQYMHSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574999786 950588767 /nfs/dbraw/zinc/58/87/67/950588767.db2.gz NOCOUTBNGZDJOD-ZETCQYMHSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575000057 950595057 /nfs/dbraw/zinc/59/50/57/950595057.db2.gz ORNRZAAFLCAYGP-JTQLQIEISA-N -1 1 382.432 0.168 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575000147 950598086 /nfs/dbraw/zinc/59/80/86/950598086.db2.gz AWUJSLIFVHNRSY-JTQLQIEISA-N -1 1 381.400 0.607 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575000147 950598102 /nfs/dbraw/zinc/59/81/02/950598102.db2.gz AWUJSLIFVHNRSY-JTQLQIEISA-N -1 1 381.400 0.607 20 0 GCADMM C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575000148 950598139 /nfs/dbraw/zinc/59/81/39/950598139.db2.gz AWUJSLIFVHNRSY-SNVBAGLBSA-N -1 1 381.400 0.607 20 0 GCADMM C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575000148 950598149 /nfs/dbraw/zinc/59/81/49/950598149.db2.gz AWUJSLIFVHNRSY-SNVBAGLBSA-N -1 1 381.400 0.607 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575000158 950600199 /nfs/dbraw/zinc/60/01/99/950600199.db2.gz PHMQOJHVWSUSKI-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575000158 950600214 /nfs/dbraw/zinc/60/02/14/950600214.db2.gz PHMQOJHVWSUSKI-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)C1(C)C ZINC001575617456 950602603 /nfs/dbraw/zinc/60/26/03/950602603.db2.gz BUOHFHSDAPNJEI-MNOVXSKESA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)C1(C)C ZINC001575617456 950602615 /nfs/dbraw/zinc/60/26/15/950602615.db2.gz BUOHFHSDAPNJEI-MNOVXSKESA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)C1(C)C ZINC001575617463 950603005 /nfs/dbraw/zinc/60/30/05/950603005.db2.gz BUOHFHSDAPNJEI-QWRGUYRKSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)C1(C)C ZINC001575617463 950603015 /nfs/dbraw/zinc/60/30/15/950603015.db2.gz BUOHFHSDAPNJEI-QWRGUYRKSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573870870 950605629 /nfs/dbraw/zinc/60/56/29/950605629.db2.gz YYMGJMJWZLREJI-UHFFFAOYSA-N -1 1 381.462 0.649 20 0 GCADMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573870870 950605651 /nfs/dbraw/zinc/60/56/51/950605651.db2.gz YYMGJMJWZLREJI-UHFFFAOYSA-N -1 1 381.462 0.649 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573870897 950606287 /nfs/dbraw/zinc/60/62/87/950606287.db2.gz ZMGITADZZYCANQ-GFCCVEGCSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574758525 950614218 /nfs/dbraw/zinc/61/42/18/950614218.db2.gz CNZNDJVWJNTGSN-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574758525 950614235 /nfs/dbraw/zinc/61/42/35/950614235.db2.gz CNZNDJVWJNTGSN-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574513709 950616688 /nfs/dbraw/zinc/61/66/88/950616688.db2.gz WFQCKKSCYHCXPK-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574513709 950616702 /nfs/dbraw/zinc/61/67/02/950616702.db2.gz WFQCKKSCYHCXPK-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc2[nH]ncc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758749 950616834 /nfs/dbraw/zinc/61/68/34/950616834.db2.gz GGAOEIMZECWZLI-SNVBAGLBSA-N -1 1 378.400 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758728 950617172 /nfs/dbraw/zinc/61/71/72/950617172.db2.gz FTFMBMZAPKCZCN-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758728 950617189 /nfs/dbraw/zinc/61/71/89/950617189.db2.gz FTFMBMZAPKCZCN-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758729 950619515 /nfs/dbraw/zinc/61/95/15/950619515.db2.gz FTFMBMZAPKCZCN-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758729 950619531 /nfs/dbraw/zinc/61/95/31/950619531.db2.gz FTFMBMZAPKCZCN-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575919856 950623644 /nfs/dbraw/zinc/62/36/44/950623644.db2.gz KQQGYMBCZRFZIP-BXKDBHETSA-N -1 1 385.819 0.842 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575919858 950625243 /nfs/dbraw/zinc/62/52/43/950625243.db2.gz KQQGYMBCZRFZIP-JOYOIKCWSA-N -1 1 385.819 0.842 20 0 GCADMM CC1(C)C(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575619886 950626250 /nfs/dbraw/zinc/62/62/50/950626250.db2.gz SSZAJBUKFPZLIY-SFHVURJKSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575620649 950631454 /nfs/dbraw/zinc/63/14/54/950631454.db2.gz YDYQEGILORGJDS-LLVKDONJSA-N -1 1 386.460 0.978 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575620649 950631467 /nfs/dbraw/zinc/63/14/67/950631467.db2.gz YDYQEGILORGJDS-LLVKDONJSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575001547 950635932 /nfs/dbraw/zinc/63/59/32/950635932.db2.gz NAELKYZVLYGFFT-VIFPVBQESA-N -1 1 381.400 0.476 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575001547 950635948 /nfs/dbraw/zinc/63/59/48/950635948.db2.gz NAELKYZVLYGFFT-VIFPVBQESA-N -1 1 381.400 0.476 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574759827 950646539 /nfs/dbraw/zinc/64/65/39/950646539.db2.gz FVPQPOBKCIAMLM-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574759827 950646550 /nfs/dbraw/zinc/64/65/50/950646550.db2.gz FVPQPOBKCIAMLM-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002044 950649817 /nfs/dbraw/zinc/64/98/17/950649817.db2.gz YRVNZDVRJFJOOI-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002044 950649831 /nfs/dbraw/zinc/64/98/31/950649831.db2.gz YRVNZDVRJFJOOI-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002274 950653492 /nfs/dbraw/zinc/65/34/92/950653492.db2.gz QZTFRJFYZIFPQC-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002274 950653508 /nfs/dbraw/zinc/65/35/08/950653508.db2.gz QZTFRJFYZIFPQC-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002271 950653537 /nfs/dbraw/zinc/65/35/37/950653537.db2.gz QZTFRJFYZIFPQC-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002271 950653552 /nfs/dbraw/zinc/65/35/52/950653552.db2.gz QZTFRJFYZIFPQC-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574518679 950653829 /nfs/dbraw/zinc/65/38/29/950653829.db2.gz PLYGOKRJQBZXEF-RTXFEEFZSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574518679 950653845 /nfs/dbraw/zinc/65/38/45/950653845.db2.gz PLYGOKRJQBZXEF-RTXFEEFZSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575923265 950653879 /nfs/dbraw/zinc/65/38/79/950653879.db2.gz QCOUVJGLXXXAPE-KOLCDFICSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccnc1 ZINC001575923268 950655812 /nfs/dbraw/zinc/65/58/12/950655812.db2.gz QCYSOPZBSWMBDI-GXTWGEPZSA-N -1 1 379.428 0.508 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575922955 950656690 /nfs/dbraw/zinc/65/66/90/950656690.db2.gz BEQMKPNGTRVIBD-GWCFXTLKSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575922955 950656708 /nfs/dbraw/zinc/65/67/08/950656708.db2.gz BEQMKPNGTRVIBD-GWCFXTLKSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760198 950659505 /nfs/dbraw/zinc/65/95/05/950659505.db2.gz HEYDIENMCKNJGI-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760198 950659514 /nfs/dbraw/zinc/65/95/14/950659514.db2.gz HEYDIENMCKNJGI-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc2ccncc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760289 950664513 /nfs/dbraw/zinc/66/45/13/950664513.db2.gz VJOGISZPLCPFLB-LLVKDONJSA-N -1 1 390.411 0.594 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575924042 950669165 /nfs/dbraw/zinc/66/91/65/950669165.db2.gz RNGTTZSACKUMJQ-GXSJLCMTSA-N -1 1 388.823 0.030 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575002768 950669758 /nfs/dbraw/zinc/66/97/58/950669758.db2.gz WPVVQLUKGGYZEI-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575002768 950669767 /nfs/dbraw/zinc/66/97/67/950669767.db2.gz WPVVQLUKGGYZEI-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)N(C)CCNc3cncc(-c4nnn[n-]4)n3)nc2C1 ZINC001576214485 950670187 /nfs/dbraw/zinc/67/01/87/950670187.db2.gz ASYWOCAYQCWRAU-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)N(C)CCNc3cncc(-c4nn[n-]n4)n3)nc2C1 ZINC001576214485 950670200 /nfs/dbraw/zinc/67/02/00/950670200.db2.gz ASYWOCAYQCWRAU-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760641 950671007 /nfs/dbraw/zinc/67/10/07/950671007.db2.gz KMCWMVFSDCPOIJ-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760641 950671022 /nfs/dbraw/zinc/67/10/22/950671022.db2.gz KMCWMVFSDCPOIJ-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576214482 950671825 /nfs/dbraw/zinc/67/18/25/950671825.db2.gz ARQBOEHJIFNRLB-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576214482 950671837 /nfs/dbraw/zinc/67/18/37/950671837.db2.gz ARQBOEHJIFNRLB-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576214483 950671894 /nfs/dbraw/zinc/67/18/94/950671894.db2.gz ARQBOEHJIFNRLB-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576214483 950671912 /nfs/dbraw/zinc/67/19/12/950671912.db2.gz ARQBOEHJIFNRLB-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575924252 950671868 /nfs/dbraw/zinc/67/18/68/950671868.db2.gz RYFXHRAVOADRBY-MWLCHTKSSA-N -1 1 378.387 0.915 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575924283 950671981 /nfs/dbraw/zinc/67/19/81/950671981.db2.gz RYQZQESHGJPOKA-ONGXEEELSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575924262 950672390 /nfs/dbraw/zinc/67/23/90/950672390.db2.gz RYQZQESHGJPOKA-GXSJLCMTSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924406 950673048 /nfs/dbraw/zinc/67/30/48/950673048.db2.gz FIFQCSLSEAYCMQ-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924406 950673053 /nfs/dbraw/zinc/67/30/53/950673053.db2.gz FIFQCSLSEAYCMQ-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001576214518 950674585 /nfs/dbraw/zinc/67/45/85/950674585.db2.gz BIHCRPAAXXZESG-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001576214518 950674595 /nfs/dbraw/zinc/67/45/95/950674595.db2.gz BIHCRPAAXXZESG-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760701 950676626 /nfs/dbraw/zinc/67/66/26/950676626.db2.gz YDOYAEGITAMGDD-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760701 950676636 /nfs/dbraw/zinc/67/66/36/950676636.db2.gz YDOYAEGITAMGDD-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575924882 950677185 /nfs/dbraw/zinc/67/71/85/950677185.db2.gz FYJZKUUBFSVTLU-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575924882 950677194 /nfs/dbraw/zinc/67/71/94/950677194.db2.gz FYJZKUUBFSVTLU-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574519441 950681140 /nfs/dbraw/zinc/68/11/40/950681140.db2.gz VZDBISIVXILIJC-DRZSPHRISA-N -1 1 382.432 0.065 20 0 GCADMM CC(C)(C)Oc1ccccc1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573876796 950681962 /nfs/dbraw/zinc/68/19/62/950681962.db2.gz WEXHBGJYVOZLNW-UHFFFAOYSA-N -1 1 399.411 0.623 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576214809 950682448 /nfs/dbraw/zinc/68/24/48/950682448.db2.gz CJCBQQYJTXSQBN-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576214809 950682463 /nfs/dbraw/zinc/68/24/63/950682463.db2.gz CJCBQQYJTXSQBN-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574519443 950682371 /nfs/dbraw/zinc/68/23/71/950682371.db2.gz VZDBISIVXILIJC-RTXFEEFZSA-N -1 1 382.432 0.065 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3cncc(-c4nnn[n-]4)n3)c2C1 ZINC001576214752 950684629 /nfs/dbraw/zinc/68/46/29/950684629.db2.gz CALFXUOCUNQEEC-SNVBAGLBSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3cncc(-c4nn[n-]n4)n3)c2C1 ZINC001576214752 950684640 /nfs/dbraw/zinc/68/46/40/950684640.db2.gz CALFXUOCUNQEEC-SNVBAGLBSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574760841 950685581 /nfs/dbraw/zinc/68/55/81/950685581.db2.gz MRWUOCITHOPBQL-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574760841 950685589 /nfs/dbraw/zinc/68/55/89/950685589.db2.gz MRWUOCITHOPBQL-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575925287 950685987 /nfs/dbraw/zinc/68/59/87/950685987.db2.gz UCJSDMHBEQHRSY-RYUDHWBXSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573877446 950688846 /nfs/dbraw/zinc/68/88/46/950688846.db2.gz AYXZAWIRIKZDPZ-FMTVUPSXSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573877446 950688866 /nfs/dbraw/zinc/68/88/66/950688866.db2.gz AYXZAWIRIKZDPZ-FMTVUPSXSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576215231 950691296 /nfs/dbraw/zinc/69/12/96/950691296.db2.gz DVNOLTIMMOWQBP-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576215231 950691306 /nfs/dbraw/zinc/69/13/06/950691306.db2.gz DVNOLTIMMOWQBP-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001575625644 950692548 /nfs/dbraw/zinc/69/25/48/950692548.db2.gz SYHAAMFBJNSVGA-VXGBXAGGSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001575625644 950692557 /nfs/dbraw/zinc/69/25/57/950692557.db2.gz SYHAAMFBJNSVGA-VXGBXAGGSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574179118 950694935 /nfs/dbraw/zinc/69/49/35/950694935.db2.gz BJZIKYQJGIEBMQ-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574179118 950694948 /nfs/dbraw/zinc/69/49/48/950694948.db2.gz BJZIKYQJGIEBMQ-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574179133 950696561 /nfs/dbraw/zinc/69/65/61/950696561.db2.gz BPVNVOHZIDIUCK-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574179133 950696571 /nfs/dbraw/zinc/69/65/71/950696571.db2.gz BPVNVOHZIDIUCK-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576215365 950696817 /nfs/dbraw/zinc/69/68/17/950696817.db2.gz FREIABWJYVFZSU-ZUZCIYMTSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574761175 950697700 /nfs/dbraw/zinc/69/77/00/950697700.db2.gz RWPXMWRZFDDJSK-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574761175 950697709 /nfs/dbraw/zinc/69/77/09/950697709.db2.gz RWPXMWRZFDDJSK-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574762142 950700934 /nfs/dbraw/zinc/70/09/34/950700934.db2.gz VSPYOXRMWRFWHT-NSHDSACASA-N -1 1 382.432 0.184 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573878335 950703205 /nfs/dbraw/zinc/70/32/05/950703205.db2.gz MVCHFDHQVOHCML-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573878335 950703217 /nfs/dbraw/zinc/70/32/17/950703217.db2.gz MVCHFDHQVOHCML-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@@H]1CCCO1 ZINC001574520006 950706657 /nfs/dbraw/zinc/70/66/57/950706657.db2.gz ZMJVDWSVNCSLQC-IZURVTBUSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@@H]1CCCO1 ZINC001574520006 950706675 /nfs/dbraw/zinc/70/66/75/950706675.db2.gz ZMJVDWSVNCSLQC-IZURVTBUSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574762648 950709927 /nfs/dbraw/zinc/70/99/27/950709927.db2.gz ZYAKYEYLPCKRLP-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574762648 950709944 /nfs/dbraw/zinc/70/99/44/950709944.db2.gz ZYAKYEYLPCKRLP-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575926448 950710557 /nfs/dbraw/zinc/71/05/57/950710557.db2.gz KBTAABOGWBSLNH-BDAKNGLRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575926448 950710576 /nfs/dbraw/zinc/71/05/76/950710576.db2.gz KBTAABOGWBSLNH-BDAKNGLRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575926453 950711588 /nfs/dbraw/zinc/71/15/88/950711588.db2.gz KBTAABOGWBSLNH-IUCAKERBSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575926453 950711598 /nfs/dbraw/zinc/71/15/98/950711598.db2.gz KBTAABOGWBSLNH-IUCAKERBSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575926546 950712456 /nfs/dbraw/zinc/71/24/56/950712456.db2.gz XOCJZNMSJGPUEK-KBPBESRZSA-N -1 1 381.444 0.762 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1ccncc1 ZINC001574520125 950712614 /nfs/dbraw/zinc/71/26/14/950712614.db2.gz MKQRBBVDGZIGMS-XJQUKVTJSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1ccncc1 ZINC001574520125 950712642 /nfs/dbraw/zinc/71/26/42/950712642.db2.gz MKQRBBVDGZIGMS-XJQUKVTJSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575006217 950716312 /nfs/dbraw/zinc/71/63/12/950716312.db2.gz SSWVSUYNAQILIS-SNVBAGLBSA-N -1 1 391.395 0.563 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccncc1 ZINC001574520168 950716926 /nfs/dbraw/zinc/71/69/26/950716926.db2.gz NCHRPVLWGXHEDM-IUWMUCMRSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccncc1 ZINC001574520168 950716941 /nfs/dbraw/zinc/71/69/41/950716941.db2.gz NCHRPVLWGXHEDM-IUWMUCMRSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575006282 950720494 /nfs/dbraw/zinc/72/04/94/950720494.db2.gz UVVDZCGVKZIMRT-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575006282 950720508 /nfs/dbraw/zinc/72/05/08/950720508.db2.gz UVVDZCGVKZIMRT-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)S(=O)(=O)c1ccc(F)cc1 ZINC001574520274 950720653 /nfs/dbraw/zinc/72/06/53/950720653.db2.gz OUSKZIVIOQOSND-MRVPVSSYSA-N -1 1 379.377 0.920 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763600 950720989 /nfs/dbraw/zinc/72/09/89/950720989.db2.gz GBZFWAUCHDDJOI-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763600 950721002 /nfs/dbraw/zinc/72/10/02/950721002.db2.gz GBZFWAUCHDDJOI-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575926816 950721383 /nfs/dbraw/zinc/72/13/83/950721383.db2.gz LZKKSGHEHAJPOK-SKDRFNHKSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575926816 950721401 /nfs/dbraw/zinc/72/14/01/950721401.db2.gz LZKKSGHEHAJPOK-SKDRFNHKSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575926812 950723739 /nfs/dbraw/zinc/72/37/39/950723739.db2.gz LZFRYMRWLZUVOT-WDEREUQCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575926812 950723750 /nfs/dbraw/zinc/72/37/50/950723750.db2.gz LZFRYMRWLZUVOT-WDEREUQCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1nccnc1-c1nnn[n-]1 ZINC001575006600 950724860 /nfs/dbraw/zinc/72/48/60/950724860.db2.gz WEVJVBAKTFSTHH-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1nccnc1-c1nn[n-]n1 ZINC001575006600 950724871 /nfs/dbraw/zinc/72/48/71/950724871.db2.gz WEVJVBAKTFSTHH-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001575927065 950729860 /nfs/dbraw/zinc/72/98/60/950729860.db2.gz ZWZBBOVHWNCPGB-ZYHUDNBSSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575927048 950730665 /nfs/dbraw/zinc/73/06/65/950730665.db2.gz ZUUPYLGVDRIXQC-QWRGUYRKSA-N -1 1 385.457 0.569 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574763862 950733064 /nfs/dbraw/zinc/73/30/64/950733064.db2.gz MKPWTFIHYOHOJH-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574763862 950733080 /nfs/dbraw/zinc/73/30/80/950733080.db2.gz MKPWTFIHYOHOJH-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)N(C)CCNc3ccnc(-c4nn[n-]n4)n3)c2C1 ZINC001576216435 950738056 /nfs/dbraw/zinc/73/80/56/950738056.db2.gz JHAPWWKNAHFUKX-LLVKDONJSA-N -1 1 382.432 0.042 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574181050 950741512 /nfs/dbraw/zinc/74/15/12/950741512.db2.gz JGWLVCWPCYWCRC-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574181050 950741519 /nfs/dbraw/zinc/74/15/19/950741519.db2.gz JGWLVCWPCYWCRC-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574181681 950743311 /nfs/dbraw/zinc/74/33/11/950743311.db2.gz OBKVFCCQUSKISL-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574181681 950743323 /nfs/dbraw/zinc/74/33/23/950743323.db2.gz OBKVFCCQUSKISL-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574181292 950744225 /nfs/dbraw/zinc/74/42/25/950744225.db2.gz LFNOPESBKDVLRK-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574181292 950744244 /nfs/dbraw/zinc/74/42/44/950744244.db2.gz LFNOPESBKDVLRK-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576216920 950744850 /nfs/dbraw/zinc/74/48/50/950744850.db2.gz KAFJSRKXNHOJGW-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576216920 950744866 /nfs/dbraw/zinc/74/48/66/950744866.db2.gz KAFJSRKXNHOJGW-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)c2C1 ZINC001576216851 950745191 /nfs/dbraw/zinc/74/51/91/950745191.db2.gz JPNNPGXVJUVNPM-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2ccccc12)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764147 950745211 /nfs/dbraw/zinc/74/52/11/950745211.db2.gz PYAOUULINIADPA-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2ccccc12)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764147 950745223 /nfs/dbraw/zinc/74/52/23/950745223.db2.gz PYAOUULINIADPA-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)c2C1 ZINC001576216851 950745205 /nfs/dbraw/zinc/74/52/05/950745205.db2.gz JPNNPGXVJUVNPM-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574181977 950751103 /nfs/dbraw/zinc/75/11/03/950751103.db2.gz RCQVSTBPPKADHT-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ccnc(-c4nn[n-]n4)n3)nc2C1 ZINC001576217299 950753937 /nfs/dbraw/zinc/75/39/37/950753937.db2.gz LYJNSEPKTFWEAD-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764693 950757608 /nfs/dbraw/zinc/75/76/08/950757608.db2.gz WQHXWMUWWOEQTG-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764693 950757619 /nfs/dbraw/zinc/75/76/19/950757619.db2.gz WQHXWMUWWOEQTG-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764692 950758226 /nfs/dbraw/zinc/75/82/26/950758226.db2.gz WQHXWMUWWOEQTG-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764692 950758247 /nfs/dbraw/zinc/75/82/47/950758247.db2.gz WQHXWMUWWOEQTG-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574182493 950761038 /nfs/dbraw/zinc/76/10/38/950761038.db2.gz WUKZLYHQRPWPPX-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574182493 950761062 /nfs/dbraw/zinc/76/10/62/950761062.db2.gz WUKZLYHQRPWPPX-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)n1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574764785 950761798 /nfs/dbraw/zinc/76/17/98/950761798.db2.gz YKJNXHHQLKSDOI-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)n1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574764785 950761820 /nfs/dbraw/zinc/76/18/20/950761820.db2.gz YKJNXHHQLKSDOI-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575927915 950763526 /nfs/dbraw/zinc/76/35/26/950763526.db2.gz VZXVNTIZTKJIIP-MWLCHTKSSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574182797 950766409 /nfs/dbraw/zinc/76/64/09/950766409.db2.gz YZTQTQWUUUREOL-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574182797 950766424 /nfs/dbraw/zinc/76/64/24/950766424.db2.gz YZTQTQWUUUREOL-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC1(C)CC(C(=O)NCCN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001575631790 950782516 /nfs/dbraw/zinc/78/25/16/950782516.db2.gz UYYMMSDDKXUDHJ-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC1(C)CC(CC(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575632097 950787259 /nfs/dbraw/zinc/78/72/59/950787259.db2.gz ACGCSXXOJXUFOS-ZDUSSCGKSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576218328 950787899 /nfs/dbraw/zinc/78/78/99/950787899.db2.gz QUYMCBMRAOKFFL-GHMZBOCLSA-N -1 1 382.432 0.088 20 0 GCADMM CC(C)(C)c1cnc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001573884207 950790162 /nfs/dbraw/zinc/79/01/62/950790162.db2.gz LJXAHPJZMZDKIU-UHFFFAOYSA-N -1 1 390.429 0.912 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575930652 950796024 /nfs/dbraw/zinc/79/60/24/950796024.db2.gz FUBSWHWEWUDDSX-DTWKUNHWSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575930652 950796041 /nfs/dbraw/zinc/79/60/41/950796041.db2.gz FUBSWHWEWUDDSX-DTWKUNHWSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765694 950796455 /nfs/dbraw/zinc/79/64/55/950796455.db2.gz JPIFUZOXXCQVGL-SECBINFHSA-N -1 1 385.457 0.985 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575632311 950796584 /nfs/dbraw/zinc/79/65/84/950796584.db2.gz HEQBDZZTHDESMI-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575632311 950796601 /nfs/dbraw/zinc/79/66/01/950796601.db2.gz HEQBDZZTHDESMI-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)co1 ZINC001573884652 950801426 /nfs/dbraw/zinc/80/14/26/950801426.db2.gz HNARGBHOVQCXOX-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)co1 ZINC001573884652 950801445 /nfs/dbraw/zinc/80/14/45/950801445.db2.gz HNARGBHOVQCXOX-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC1(C)CC(CC(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)C1 ZINC001575632495 950802370 /nfs/dbraw/zinc/80/23/70/950802370.db2.gz JWGAKLVUCIBEBQ-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)C1 ZINC001575632495 950802392 /nfs/dbraw/zinc/80/23/92/950802392.db2.gz JWGAKLVUCIBEBQ-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576219243 950805152 /nfs/dbraw/zinc/80/51/52/950805152.db2.gz SXZNVNGZESBJNL-MEBBXXQBSA-N -1 1 382.432 0.664 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575632763 950807565 /nfs/dbraw/zinc/80/75/65/950807565.db2.gz MKRDGVWIRJOUIV-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575632763 950807585 /nfs/dbraw/zinc/80/75/85/950807585.db2.gz MKRDGVWIRJOUIV-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765994 950809831 /nfs/dbraw/zinc/80/98/31/950809831.db2.gz HJDKLKLAFVVOOA-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765994 950809854 /nfs/dbraw/zinc/80/98/54/950809854.db2.gz HJDKLKLAFVVOOA-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)co1 ZINC001573885075 950810292 /nfs/dbraw/zinc/81/02/92/950810292.db2.gz NUIAJRCAJDMOJU-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)co1 ZINC001573885075 950810316 /nfs/dbraw/zinc/81/03/16/950810316.db2.gz NUIAJRCAJDMOJU-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575931578 950812158 /nfs/dbraw/zinc/81/21/58/950812158.db2.gz IREBHXAOFMATNU-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575931578 950812167 /nfs/dbraw/zinc/81/21/67/950812167.db2.gz IREBHXAOFMATNU-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576219780 950813710 /nfs/dbraw/zinc/81/37/10/950813710.db2.gz UQBFEFONJRQVRW-BMIGLBTASA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001576219841 950815910 /nfs/dbraw/zinc/81/59/10/950815910.db2.gz VIRZPCCMLZSWEL-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001576219841 950815942 /nfs/dbraw/zinc/81/59/42/950815942.db2.gz VIRZPCCMLZSWEL-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001575633759 950821666 /nfs/dbraw/zinc/82/16/66/950821666.db2.gz WMAVDHRZSJQGHY-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)co1 ZINC001573885427 950821959 /nfs/dbraw/zinc/82/19/59/950821959.db2.gz WPPIIWHSANPZMG-UHFFFAOYSA-N -1 1 386.372 0.112 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575932237 950825141 /nfs/dbraw/zinc/82/51/41/950825141.db2.gz KZNQDMZZSCFSII-NWDGAFQWSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575932237 950825165 /nfs/dbraw/zinc/82/51/65/950825165.db2.gz KZNQDMZZSCFSII-NWDGAFQWSA-N -1 1 387.448 0.317 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575634056 950825638 /nfs/dbraw/zinc/82/56/38/950825638.db2.gz YVVIITUIBFUCCE-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575634056 950825659 /nfs/dbraw/zinc/82/56/59/950825659.db2.gz YVVIITUIBFUCCE-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575932752 950826076 /nfs/dbraw/zinc/82/60/76/950826076.db2.gz MMENSLMESQQTDR-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575932752 950826098 /nfs/dbraw/zinc/82/60/98/950826098.db2.gz MMENSLMESQQTDR-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573885514 950829098 /nfs/dbraw/zinc/82/90/98/950829098.db2.gz YGSXEAUDWZOJSV-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM C[C@@H](CN(C)C(=O)c1snnc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574766825 950831703 /nfs/dbraw/zinc/83/17/03/950831703.db2.gz LELCQCHOVMMSGV-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CN(C)C(=O)c1snnc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574766825 950831723 /nfs/dbraw/zinc/83/17/23/950831723.db2.gz LELCQCHOVMMSGV-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1nccn1C ZINC001575932852 950834632 /nfs/dbraw/zinc/83/46/32/950834632.db2.gz NHSVAIRKPVNOAQ-VXGBXAGGSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccn1C ZINC001575932852 950834645 /nfs/dbraw/zinc/83/46/45/950834645.db2.gz NHSVAIRKPVNOAQ-VXGBXAGGSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575932788 950836188 /nfs/dbraw/zinc/83/61/88/950836188.db2.gz MVGNXRQHOJBAGX-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575932788 950836212 /nfs/dbraw/zinc/83/62/12/950836212.db2.gz MVGNXRQHOJBAGX-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574767134 950837370 /nfs/dbraw/zinc/83/73/70/950837370.db2.gz MDSCMDNNJNWBBL-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574767134 950837393 /nfs/dbraw/zinc/83/73/93/950837393.db2.gz MDSCMDNNJNWBBL-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1nc[nH]n1 ZINC001575933275 950837771 /nfs/dbraw/zinc/83/77/71/950837771.db2.gz NTQJJBKUSIQJGD-PHDIDXHHSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)cn2C1 ZINC001576220921 950841231 /nfs/dbraw/zinc/84/12/31/950841231.db2.gz XWPGSARURTTXQP-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)cn2C1 ZINC001576220921 950841250 /nfs/dbraw/zinc/84/12/50/950841250.db2.gz XWPGSARURTTXQP-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)c2C1 ZINC001576220916 950841574 /nfs/dbraw/zinc/84/15/74/950841574.db2.gz XWHGEOQYDKYULZ-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)c2C1 ZINC001576220916 950841582 /nfs/dbraw/zinc/84/15/82/950841582.db2.gz XWHGEOQYDKYULZ-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576220901 950842888 /nfs/dbraw/zinc/84/28/88/950842888.db2.gz XQYJLYMGVPOOTG-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576220901 950842913 /nfs/dbraw/zinc/84/29/13/950842913.db2.gz XQYJLYMGVPOOTG-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)c2C1 ZINC001576220918 950843135 /nfs/dbraw/zinc/84/31/35/950843135.db2.gz XWHGEOQYDKYULZ-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)c2C1 ZINC001576220918 950843149 /nfs/dbraw/zinc/84/31/49/950843149.db2.gz XWHGEOQYDKYULZ-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)cn2C1 ZINC001576220923 950843606 /nfs/dbraw/zinc/84/36/06/950843606.db2.gz XWPGSARURTTXQP-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)cn2C1 ZINC001576220923 950843623 /nfs/dbraw/zinc/84/36/23/950843623.db2.gz XWPGSARURTTXQP-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575933740 950847096 /nfs/dbraw/zinc/84/70/96/950847096.db2.gz PMBXLZBGULDMLB-PHDIDXHHSA-N -1 1 380.825 0.810 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573887691 950857959 /nfs/dbraw/zinc/85/79/59/950857959.db2.gz JALPLSUJRLUXLP-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CC2(CS(C)(=O)=O)CC2)n1 ZINC001573887999 950858514 /nfs/dbraw/zinc/85/85/14/950858514.db2.gz MZMIKCGAOCGGOX-UHFFFAOYSA-N -1 1 381.462 0.972 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CC2(CS(C)(=O)=O)CC2)n1 ZINC001573887999 950858533 /nfs/dbraw/zinc/85/85/33/950858533.db2.gz MZMIKCGAOCGGOX-UHFFFAOYSA-N -1 1 381.462 0.972 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767599 950860652 /nfs/dbraw/zinc/86/06/52/950860652.db2.gz SQNNEZVWMAETBU-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767599 950860666 /nfs/dbraw/zinc/86/06/66/950860666.db2.gz SQNNEZVWMAETBU-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575934490 950861234 /nfs/dbraw/zinc/86/12/34/950861234.db2.gz RZDBUQIMKRMAIR-RITPCOANSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575934490 950861248 /nfs/dbraw/zinc/86/12/48/950861248.db2.gz RZDBUQIMKRMAIR-RITPCOANSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575934750 950867362 /nfs/dbraw/zinc/86/73/62/950867362.db2.gz TVIRKMZQNGLVHR-JQWIXIFHSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575934750 950867376 /nfs/dbraw/zinc/86/73/76/950867376.db2.gz TVIRKMZQNGLVHR-JQWIXIFHSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574768028 950879859 /nfs/dbraw/zinc/87/98/59/950879859.db2.gz WVMNKPMKMLXVDV-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574768028 950879877 /nfs/dbraw/zinc/87/98/77/950879877.db2.gz WVMNKPMKMLXVDV-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573893604 950895227 /nfs/dbraw/zinc/89/52/27/950895227.db2.gz MYQWKZMICAJVDC-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573893604 950895234 /nfs/dbraw/zinc/89/52/34/950895234.db2.gz MYQWKZMICAJVDC-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2ccn[nH]2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640486 950895603 /nfs/dbraw/zinc/89/56/03/950895603.db2.gz HVIAISJVIWFREM-NSHDSACASA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2ccn[nH]2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640486 950895619 /nfs/dbraw/zinc/89/56/19/950895619.db2.gz HVIAISJVIWFREM-NSHDSACASA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640752 950901934 /nfs/dbraw/zinc/90/19/34/950901934.db2.gz KIEQTWORONLUNH-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640752 950901949 /nfs/dbraw/zinc/90/19/49/950901949.db2.gz KIEQTWORONLUNH-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935888 950904436 /nfs/dbraw/zinc/90/44/36/950904436.db2.gz BQAVTFSCJVXAMJ-SKDRFNHKSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935888 950904454 /nfs/dbraw/zinc/90/44/54/950904454.db2.gz BQAVTFSCJVXAMJ-SKDRFNHKSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768908 950906365 /nfs/dbraw/zinc/90/63/65/950906365.db2.gz XGUAGUYUUHMBLG-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768908 950906385 /nfs/dbraw/zinc/90/63/85/950906385.db2.gz XGUAGUYUUHMBLG-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573893890 950908846 /nfs/dbraw/zinc/90/88/46/950908846.db2.gz ATUHPCIQXJIQDM-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893890 950908861 /nfs/dbraw/zinc/90/88/61/950908861.db2.gz ATUHPCIQXJIQDM-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM CC1(C)C[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCS1 ZINC001575641015 950909573 /nfs/dbraw/zinc/90/95/73/950909573.db2.gz NRBMXDKDDQBZJI-VIFPVBQESA-N -1 1 394.461 0.102 20 0 GCADMM C[C@H]1CN(C(=O)C2CC2)CC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)O1 ZINC001576227327 950909701 /nfs/dbraw/zinc/90/97/01/950909701.db2.gz FXZQEZJMSCUWQQ-LBPRGKRZSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001575641176 950913485 /nfs/dbraw/zinc/91/34/85/950913485.db2.gz AXYJQQSCQHHCPF-CHWSQXEVSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001575641176 950913505 /nfs/dbraw/zinc/91/35/05/950913505.db2.gz AXYJQQSCQHHCPF-CHWSQXEVSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575936616 950921385 /nfs/dbraw/zinc/92/13/85/950921385.db2.gz GSDJIZGBFXHPQR-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575936616 950921400 /nfs/dbraw/zinc/92/14/00/950921400.db2.gz GSDJIZGBFXHPQR-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001573894195 950927184 /nfs/dbraw/zinc/92/71/84/950927184.db2.gz QVAQRXWDQPDQMA-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001573894496 950927980 /nfs/dbraw/zinc/92/79/80/950927980.db2.gz SQSBMTMDHFVLIB-GFCCVEGCSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001573894496 950927998 /nfs/dbraw/zinc/92/79/98/950927998.db2.gz SQSBMTMDHFVLIB-GFCCVEGCSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)CCCC(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574192290 950932173 /nfs/dbraw/zinc/93/21/73/950932173.db2.gz LOQCSACVANZXMK-UHFFFAOYSA-N -1 1 387.492 0.721 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)CC(F)F ZINC001573895461 950938059 /nfs/dbraw/zinc/93/80/59/950938059.db2.gz BQRICCPLACIVDG-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)CC(F)F ZINC001573895461 950938073 /nfs/dbraw/zinc/93/80/73/950938073.db2.gz BQRICCPLACIVDG-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(F)F ZINC001573895557 950942013 /nfs/dbraw/zinc/94/20/13/950942013.db2.gz CIVIYVRSXHBMQO-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(F)F ZINC001573895557 950942037 /nfs/dbraw/zinc/94/20/37/950942037.db2.gz CIVIYVRSXHBMQO-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575937260 950942738 /nfs/dbraw/zinc/94/27/38/950942738.db2.gz JRCHYJVHGRCXFE-CMPLNLGQSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575937260 950942755 /nfs/dbraw/zinc/94/27/55/950942755.db2.gz JRCHYJVHGRCXFE-CMPLNLGQSA-N -1 1 380.416 0.515 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cnon2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575643083 950958124 /nfs/dbraw/zinc/95/81/24/950958124.db2.gz XNHXXQOEBQNSJL-JTQLQIEISA-N -1 1 384.404 0.465 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cnon2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575643083 950958134 /nfs/dbraw/zinc/95/81/34/950958134.db2.gz XNHXXQOEBQNSJL-JTQLQIEISA-N -1 1 384.404 0.465 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643102 950960737 /nfs/dbraw/zinc/96/07/37/950960737.db2.gz XXWIYLYICQUVCD-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573897443 950962558 /nfs/dbraw/zinc/96/25/58/950962558.db2.gz PGOSRXRPPOKSLI-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573897443 950962574 /nfs/dbraw/zinc/96/25/74/950962574.db2.gz PGOSRXRPPOKSLI-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001575938006 950967979 /nfs/dbraw/zinc/96/79/79/950967979.db2.gz IIFDIMCPVYMSKI-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM O=C([O-])CC1(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CCOCC1 ZINC001594979554 950971867 /nfs/dbraw/zinc/97/18/67/950971867.db2.gz DTNYYTJZZPNRBY-UHFFFAOYSA-N -1 1 377.422 0.825 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)CC(F)F ZINC001573898152 950976169 /nfs/dbraw/zinc/97/61/69/950976169.db2.gz YGUDGMOZAMKIKG-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)CC(F)F ZINC001573898152 950976181 /nfs/dbraw/zinc/97/61/81/950976181.db2.gz YGUDGMOZAMKIKG-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575017175 950981404 /nfs/dbraw/zinc/98/14/04/950981404.db2.gz BLKCCQSGYIIMEO-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575017175 950981414 /nfs/dbraw/zinc/98/14/14/950981414.db2.gz BLKCCQSGYIIMEO-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CC1 ZINC001573899981 950993996 /nfs/dbraw/zinc/99/39/96/950993996.db2.gz NKJVOAZEEUKVSP-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CC1 ZINC001573899981 950994010 /nfs/dbraw/zinc/99/40/10/950994010.db2.gz NKJVOAZEEUKVSP-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001575644685 950995288 /nfs/dbraw/zinc/99/52/88/950995288.db2.gz WKDIBYTUDNLTDK-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001575644685 950995301 /nfs/dbraw/zinc/99/53/01/950995301.db2.gz WKDIBYTUDNLTDK-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576230450 951009650 /nfs/dbraw/zinc/00/96/50/951009650.db2.gz RMPQHSRCFBKEBY-KPZWWZAWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576230450 951009667 /nfs/dbraw/zinc/00/96/67/951009667.db2.gz RMPQHSRCFBKEBY-KPZWWZAWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575023928 951089745 /nfs/dbraw/zinc/08/97/45/951089745.db2.gz SIIPARPWGQKGEM-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575023928 951089761 /nfs/dbraw/zinc/08/97/61/951089761.db2.gz SIIPARPWGQKGEM-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024351 951102833 /nfs/dbraw/zinc/10/28/33/951102833.db2.gz BOVRRZRTDJFMIU-GHMZBOCLSA-N -1 1 380.412 0.632 20 0 GCADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001575024483 951105288 /nfs/dbraw/zinc/10/52/88/951105288.db2.gz FOFOKYJWGWWFER-LLVKDONJSA-N -1 1 383.416 0.491 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024559 951107700 /nfs/dbraw/zinc/10/77/00/951107700.db2.gz HLUHSHPYGJDICV-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024559 951107705 /nfs/dbraw/zinc/10/77/05/951107705.db2.gz HLUHSHPYGJDICV-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024812 951115387 /nfs/dbraw/zinc/11/53/87/951115387.db2.gz NBOXYCUCWVHWHT-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024812 951115389 /nfs/dbraw/zinc/11/53/89/951115389.db2.gz NBOXYCUCWVHWHT-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccc2[nH]ccc2n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575024756 951115969 /nfs/dbraw/zinc/11/59/69/951115969.db2.gz MCZHWOGZVUFPDO-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H](CNC(=O)c1ccc2[nH]ccc2n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575024756 951115981 /nfs/dbraw/zinc/11/59/81/951115981.db2.gz MCZHWOGZVUFPDO-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001575024881 951117897 /nfs/dbraw/zinc/11/78/97/951117897.db2.gz OTRWBQIXHOQEOX-LLVKDONJSA-N -1 1 383.416 0.491 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024914 951121058 /nfs/dbraw/zinc/12/10/58/951121058.db2.gz PQMSWLSVSQISDF-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024914 951121070 /nfs/dbraw/zinc/12/10/70/951121070.db2.gz PQMSWLSVSQISDF-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024992 951122855 /nfs/dbraw/zinc/12/28/55/951122855.db2.gz RFOAEPRYJCFHEM-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024992 951122866 /nfs/dbraw/zinc/12/28/66/951122866.db2.gz RFOAEPRYJCFHEM-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025107 951125313 /nfs/dbraw/zinc/12/53/13/951125313.db2.gz VBJYYCFTRJGOQE-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025107 951125317 /nfs/dbraw/zinc/12/53/17/951125317.db2.gz VBJYYCFTRJGOQE-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575025295 951128227 /nfs/dbraw/zinc/12/82/27/951128227.db2.gz XCKWUCLZNOJZRU-JTQLQIEISA-N -1 1 385.407 0.514 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2nonc2c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575026378 951142848 /nfs/dbraw/zinc/14/28/48/951142848.db2.gz IFKUFQNJCBGQCM-SECBINFHSA-N -1 1 380.372 0.093 20 0 GCADMM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CO1 ZINC001595002083 951143066 /nfs/dbraw/zinc/14/30/66/951143066.db2.gz ROJFOGVZQZDZKY-GVDBMIGSSA-N -1 1 383.489 0.169 20 0 GCADMM C[C@H](CNC(=O)c1ccc2nonc2c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575026379 951142990 /nfs/dbraw/zinc/14/29/90/951142990.db2.gz IFKUFQNJCBGQCM-VIFPVBQESA-N -1 1 380.372 0.093 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575027049 951152787 /nfs/dbraw/zinc/15/27/87/951152787.db2.gz CRTYKFROGJKCRF-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575027049 951152790 /nfs/dbraw/zinc/15/27/90/951152790.db2.gz CRTYKFROGJKCRF-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575027358 951155305 /nfs/dbraw/zinc/15/53/05/951155305.db2.gz FPWAZWOGJXNBTL-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575027358 951155312 /nfs/dbraw/zinc/15/53/12/951155312.db2.gz FPWAZWOGJXNBTL-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575028146 951170199 /nfs/dbraw/zinc/17/01/99/951170199.db2.gz LJZQUSUJDDZYHD-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575028146 951170207 /nfs/dbraw/zinc/17/02/07/951170207.db2.gz LJZQUSUJDDZYHD-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2nccnc2c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575029095 951185650 /nfs/dbraw/zinc/18/56/50/951185650.db2.gz ZHGFDBDSQFHVMP-LLVKDONJSA-N -1 1 390.411 0.500 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575029672 951188737 /nfs/dbraw/zinc/18/87/37/951188737.db2.gz WQVRHZZDNAXPBG-GFCCVEGCSA-N -1 1 381.444 0.623 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001575031517 951195624 /nfs/dbraw/zinc/19/56/24/951195624.db2.gz BZXBYGJHBPRRCX-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001575031517 951195635 /nfs/dbraw/zinc/19/56/35/951195635.db2.gz BZXBYGJHBPRRCX-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575031822 951203746 /nfs/dbraw/zinc/20/37/46/951203746.db2.gz JOZARSGKOOCUIS-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575031822 951203758 /nfs/dbraw/zinc/20/37/58/951203758.db2.gz JOZARSGKOOCUIS-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575031818 951204528 /nfs/dbraw/zinc/20/45/28/951204528.db2.gz JOHCPJRVSATSAF-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575031818 951204536 /nfs/dbraw/zinc/20/45/36/951204536.db2.gz JOHCPJRVSATSAF-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575031987 951213419 /nfs/dbraw/zinc/21/34/19/951213419.db2.gz NOQMODAWQYBGFC-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575031987 951213432 /nfs/dbraw/zinc/21/34/32/951213432.db2.gz NOQMODAWQYBGFC-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575033954 951234264 /nfs/dbraw/zinc/23/42/64/951234264.db2.gz FKIYWQHZQAPMHJ-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575033954 951234277 /nfs/dbraw/zinc/23/42/77/951234277.db2.gz FKIYWQHZQAPMHJ-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575033970 951235203 /nfs/dbraw/zinc/23/52/03/951235203.db2.gz FSIDQEHWGBUZCX-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575033970 951235210 /nfs/dbraw/zinc/23/52/10/951235210.db2.gz FSIDQEHWGBUZCX-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575034023 951237661 /nfs/dbraw/zinc/23/76/61/951237661.db2.gz HFKXRJRIHQRJJX-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575034023 951237683 /nfs/dbraw/zinc/23/76/83/951237683.db2.gz HFKXRJRIHQRJJX-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575034388 951247651 /nfs/dbraw/zinc/24/76/51/951247651.db2.gz BBSMZMVDGMEXSX-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575034388 951247666 /nfs/dbraw/zinc/24/76/66/951247666.db2.gz BBSMZMVDGMEXSX-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575034503 951249651 /nfs/dbraw/zinc/24/96/51/951249651.db2.gz BZYYZEBFRFZJSY-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575034503 951249662 /nfs/dbraw/zinc/24/96/62/951249662.db2.gz BZYYZEBFRFZJSY-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575034713 951254578 /nfs/dbraw/zinc/25/45/78/951254578.db2.gz CGIRULJANKGSEY-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575034713 951254591 /nfs/dbraw/zinc/25/45/91/951254591.db2.gz CGIRULJANKGSEY-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575035607 951278603 /nfs/dbraw/zinc/27/86/03/951278603.db2.gz ZAHVEGFJGVJBOK-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575035607 951278611 /nfs/dbraw/zinc/27/86/11/951278611.db2.gz ZAHVEGFJGVJBOK-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)ccn1 ZINC001575035980 951286410 /nfs/dbraw/zinc/28/64/10/951286410.db2.gz NWJUEJXXRIJDBL-LLVKDONJSA-N -1 1 383.416 0.491 20 0 GCADMM CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)ccn1 ZINC001575035981 951286613 /nfs/dbraw/zinc/28/66/13/951286613.db2.gz NWJUEJXXRIJDBL-NSHDSACASA-N -1 1 383.416 0.491 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575036656 951297367 /nfs/dbraw/zinc/29/73/67/951297367.db2.gz VBWNZNXPARTHGF-LLVKDONJSA-N -1 1 382.432 0.621 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575037585 951309101 /nfs/dbraw/zinc/30/91/01/951309101.db2.gz AWBDWICRWUYWCK-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575037585 951309121 /nfs/dbraw/zinc/30/91/21/951309121.db2.gz AWBDWICRWUYWCK-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575041752 951350089 /nfs/dbraw/zinc/35/00/89/951350089.db2.gz BHGNMVNOIGCVBI-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575041752 951350106 /nfs/dbraw/zinc/35/01/06/951350106.db2.gz BHGNMVNOIGCVBI-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575041922 951350774 /nfs/dbraw/zinc/35/07/74/951350774.db2.gz CPZNLZGIXHQMBE-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575041922 951350790 /nfs/dbraw/zinc/35/07/90/951350790.db2.gz CPZNLZGIXHQMBE-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042406 951362547 /nfs/dbraw/zinc/36/25/47/951362547.db2.gz JFPYYUWWBLQSGX-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042406 951362559 /nfs/dbraw/zinc/36/25/59/951362559.db2.gz JFPYYUWWBLQSGX-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042783 951372029 /nfs/dbraw/zinc/37/20/29/951372029.db2.gz BRQGPQGESZIWBJ-BXKDBHETSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042783 951372039 /nfs/dbraw/zinc/37/20/39/951372039.db2.gz BRQGPQGESZIWBJ-BXKDBHETSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1cnc2cnccc2c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575043004 951376521 /nfs/dbraw/zinc/37/65/21/951376521.db2.gz FJARJIZPTGEKMQ-NSHDSACASA-N -1 1 390.411 0.500 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043441 951392194 /nfs/dbraw/zinc/39/21/94/951392194.db2.gz JHICKJFUMQMVPY-CABZTGNLSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043563 951395556 /nfs/dbraw/zinc/39/55/56/951395556.db2.gz USEMMKPVFLCCKS-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043673 951399261 /nfs/dbraw/zinc/39/92/61/951399261.db2.gz LRSQTRKCBTZISN-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043673 951399274 /nfs/dbraw/zinc/39/92/74/951399274.db2.gz LRSQTRKCBTZISN-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575043922 951405592 /nfs/dbraw/zinc/40/55/92/951405592.db2.gz WSBKKUQQPJATRY-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575043922 951405602 /nfs/dbraw/zinc/40/56/02/951405602.db2.gz WSBKKUQQPJATRY-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575044192 951407231 /nfs/dbraw/zinc/40/72/31/951407231.db2.gz XUYZTHGAYIEBGQ-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575044192 951407237 /nfs/dbraw/zinc/40/72/37/951407237.db2.gz XUYZTHGAYIEBGQ-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575043985 951407413 /nfs/dbraw/zinc/40/74/13/951407413.db2.gz XOFMZZZOSZHIOF-SNVBAGLBSA-N -1 1 383.420 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575043985 951407420 /nfs/dbraw/zinc/40/74/20/951407420.db2.gz XOFMZZZOSZHIOF-SNVBAGLBSA-N -1 1 383.420 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044213 951410386 /nfs/dbraw/zinc/41/03/86/951410386.db2.gz YAAPKCAMHXUZGP-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044213 951410394 /nfs/dbraw/zinc/41/03/94/951410394.db2.gz YAAPKCAMHXUZGP-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044771 951417756 /nfs/dbraw/zinc/41/77/56/951417756.db2.gz UYZSODYRGMMASP-JTQLQIEISA-N -1 1 382.432 0.975 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044771 951417766 /nfs/dbraw/zinc/41/77/66/951417766.db2.gz UYZSODYRGMMASP-JTQLQIEISA-N -1 1 382.432 0.975 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575044930 951419948 /nfs/dbraw/zinc/41/99/48/951419948.db2.gz XQPYJQOQNXONGS-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575044930 951419963 /nfs/dbraw/zinc/41/99/63/951419963.db2.gz XQPYJQOQNXONGS-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n[nH]cc2c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575044948 951423734 /nfs/dbraw/zinc/42/37/34/951423734.db2.gz XWZMMMFBFUQJDE-SECBINFHSA-N -1 1 379.388 0.406 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n[nH]cc2c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575044948 951423740 /nfs/dbraw/zinc/42/37/40/951423740.db2.gz XWZMMMFBFUQJDE-SECBINFHSA-N -1 1 379.388 0.406 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575046264 951437494 /nfs/dbraw/zinc/43/74/94/951437494.db2.gz MEZOLTDHONLUQH-SNVBAGLBSA-N -1 1 380.416 0.224 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575046318 951440127 /nfs/dbraw/zinc/44/01/27/951440127.db2.gz MTYNGAJRYSKESB-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575046316 951440870 /nfs/dbraw/zinc/44/08/70/951440870.db2.gz MTYNGAJRYSKESB-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575046300 951440953 /nfs/dbraw/zinc/44/09/53/951440953.db2.gz MQOQQBHSAJPBRN-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575046300 951440960 /nfs/dbraw/zinc/44/09/60/951440960.db2.gz MQOQQBHSAJPBRN-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575046691 951444907 /nfs/dbraw/zinc/44/49/07/951444907.db2.gz RCDYWEPSZMVSHL-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575046691 951444910 /nfs/dbraw/zinc/44/49/10/951444910.db2.gz RCDYWEPSZMVSHL-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575046768 951447944 /nfs/dbraw/zinc/44/79/44/951447944.db2.gz RZLAWSUKFGXHRV-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575046768 951447955 /nfs/dbraw/zinc/44/79/55/951447955.db2.gz RZLAWSUKFGXHRV-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575046899 951451279 /nfs/dbraw/zinc/45/12/79/951451279.db2.gz VFPUEIWXKVLBKO-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575046899 951451286 /nfs/dbraw/zinc/45/12/86/951451286.db2.gz VFPUEIWXKVLBKO-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575051887 951455246 /nfs/dbraw/zinc/45/52/46/951455246.db2.gz AIHTXXRKNNPJDD-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575051887 951455251 /nfs/dbraw/zinc/45/52/51/951455251.db2.gz AIHTXXRKNNPJDD-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575051954 951456814 /nfs/dbraw/zinc/45/68/14/951456814.db2.gz BTDAPLFGMAPBIY-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575051954 951456823 /nfs/dbraw/zinc/45/68/23/951456823.db2.gz BTDAPLFGMAPBIY-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575051967 951457261 /nfs/dbraw/zinc/45/72/61/951457261.db2.gz CHRIIOCHLWXIMR-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575051967 951457266 /nfs/dbraw/zinc/45/72/66/951457266.db2.gz CHRIIOCHLWXIMR-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575052094 951459512 /nfs/dbraw/zinc/45/95/12/951459512.db2.gz DAELLFLBAPZELK-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575052094 951459515 /nfs/dbraw/zinc/45/95/15/951459515.db2.gz DAELLFLBAPZELK-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575052141 951459695 /nfs/dbraw/zinc/45/96/95/951459695.db2.gz DRYAAOXDZBIUIH-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575052141 951459700 /nfs/dbraw/zinc/45/97/00/951459700.db2.gz DRYAAOXDZBIUIH-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575052122 951459899 /nfs/dbraw/zinc/45/98/99/951459899.db2.gz DIBHEHCLDPCFDF-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575052122 951459906 /nfs/dbraw/zinc/45/99/06/951459906.db2.gz DIBHEHCLDPCFDF-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575052391 951463824 /nfs/dbraw/zinc/46/38/24/951463824.db2.gz IDMHUWQKSOHXFL-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575052392 951464703 /nfs/dbraw/zinc/46/47/03/951464703.db2.gz IDMHUWQKSOHXFL-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575052587 951468900 /nfs/dbraw/zinc/46/89/00/951468900.db2.gz MNVYGBZNKOQRKH-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575052587 951468907 /nfs/dbraw/zinc/46/89/07/951468907.db2.gz MNVYGBZNKOQRKH-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052882 951473461 /nfs/dbraw/zinc/47/34/61/951473461.db2.gz PUNBROVYODMRDB-SNVBAGLBSA-N -1 1 382.432 0.168 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052879 951474187 /nfs/dbraw/zinc/47/41/87/951474187.db2.gz PUNBROVYODMRDB-JTQLQIEISA-N -1 1 382.432 0.168 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)n1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575053109 951474399 /nfs/dbraw/zinc/47/43/99/951474399.db2.gz QPMJZGYCWLKHET-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575053261 951476264 /nfs/dbraw/zinc/47/62/64/951476264.db2.gz SAURLUJZMYJYNR-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575053261 951476273 /nfs/dbraw/zinc/47/62/73/951476273.db2.gz SAURLUJZMYJYNR-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575053668 951482076 /nfs/dbraw/zinc/48/20/76/951482076.db2.gz UBARVXQLDUKGRD-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575053668 951482084 /nfs/dbraw/zinc/48/20/84/951482084.db2.gz UBARVXQLDUKGRD-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575053767 951485018 /nfs/dbraw/zinc/48/50/18/951485018.db2.gz VLEZUHYZVRZWDE-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575053767 951485027 /nfs/dbraw/zinc/48/50/27/951485027.db2.gz VLEZUHYZVRZWDE-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575054612 951493098 /nfs/dbraw/zinc/49/30/98/951493098.db2.gz YZWIFJPSRMSORP-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575055312 951502852 /nfs/dbraw/zinc/50/28/52/951502852.db2.gz QBUDLNFQBCHZGJ-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575055312 951502859 /nfs/dbraw/zinc/50/28/59/951502859.db2.gz QBUDLNFQBCHZGJ-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575055591 951510159 /nfs/dbraw/zinc/51/01/59/951510159.db2.gz XXZUVJLPXSUDED-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575058861 951535694 /nfs/dbraw/zinc/53/56/94/951535694.db2.gz VZVXNZFAKSKHGA-JTQLQIEISA-N -1 1 383.416 0.852 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575058861 951535701 /nfs/dbraw/zinc/53/57/01/951535701.db2.gz VZVXNZFAKSKHGA-JTQLQIEISA-N -1 1 383.416 0.852 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575060846 951549283 /nfs/dbraw/zinc/54/92/83/951549283.db2.gz ICFFAWVERLVWAJ-JTQLQIEISA-N -1 1 382.432 0.301 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575061258 951554720 /nfs/dbraw/zinc/55/47/20/951554720.db2.gz MCWGRGXDLSUNRB-ZCFIWIBFSA-N -1 1 382.310 0.051 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575061193 951555417 /nfs/dbraw/zinc/55/54/17/951555417.db2.gz LHZMZRQHDNRLAX-SNVBAGLBSA-N -1 1 382.432 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575064582 951574397 /nfs/dbraw/zinc/57/43/97/951574397.db2.gz AAJWJSICRGUCLY-LURJTMIESA-N -1 1 383.294 0.316 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575065266 951581114 /nfs/dbraw/zinc/58/11/14/951581114.db2.gz AZSAIGKDLVFQNC-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065359 951584433 /nfs/dbraw/zinc/58/44/33/951584433.db2.gz GLMKVMYFBCIGDS-ZETCQYMHSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065359 951584436 /nfs/dbraw/zinc/58/44/36/951584436.db2.gz GLMKVMYFBCIGDS-ZETCQYMHSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575065743 951586121 /nfs/dbraw/zinc/58/61/21/951586121.db2.gz IFLNWSOCLBZLOU-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575065743 951586126 /nfs/dbraw/zinc/58/61/26/951586126.db2.gz IFLNWSOCLBZLOU-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1nccn2ccnc12)CNc1nccnc1-c1nnn[n-]1 ZINC001575066124 951595660 /nfs/dbraw/zinc/59/56/60/951595660.db2.gz FXCQRTIZRSHJKD-SNVBAGLBSA-N -1 1 379.388 0.177 20 0 GCADMM C[C@@H](CNC(=O)c1nccn2ccnc12)CNc1nccnc1-c1nn[n-]n1 ZINC001575066124 951595669 /nfs/dbraw/zinc/59/56/69/951595669.db2.gz FXCQRTIZRSHJKD-SNVBAGLBSA-N -1 1 379.388 0.177 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575066986 951601398 /nfs/dbraw/zinc/60/13/98/951601398.db2.gz OMIWOPVWXFCTGM-JTQLQIEISA-N -1 1 383.416 0.423 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575067112 951601891 /nfs/dbraw/zinc/60/18/91/951601891.db2.gz IGSGJFCJRBOPKX-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575067112 951601896 /nfs/dbraw/zinc/60/18/96/951601896.db2.gz IGSGJFCJRBOPKX-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1nccc2cccnc21)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575068005 951627922 /nfs/dbraw/zinc/62/79/22/951627922.db2.gz UXOZIRXORIGQLB-NSHDSACASA-N -1 1 390.411 0.855 20 0 GCADMM C[C@@H](CNC(=O)c1nccc2cccnc21)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575068005 951627925 /nfs/dbraw/zinc/62/79/25/951627925.db2.gz UXOZIRXORIGQLB-NSHDSACASA-N -1 1 390.411 0.855 20 0 GCADMM C[C@@H](CNC(=O)c1scnc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575068570 951636104 /nfs/dbraw/zinc/63/61/04/951636104.db2.gz BCJHEZXLKAZOMJ-SSDOTTSWSA-N -1 1 379.837 0.667 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575071296 951658850 /nfs/dbraw/zinc/65/88/50/951658850.db2.gz ZITLRGKDRDNILK-QMMMGPOBSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575071296 951658857 /nfs/dbraw/zinc/65/88/57/951658857.db2.gz ZITLRGKDRDNILK-QMMMGPOBSA-N -1 1 386.445 0.640 20 0 GCADMM O=C([O-])CN1CCC[C@@H](C(=O)NCC2(CN3CCOCC3)CCCCC2)C1=O ZINC001595082889 951702933 /nfs/dbraw/zinc/70/29/33/951702933.db2.gz HJLYIMNOQJQARG-INIZCTEOSA-N -1 1 395.500 0.709 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NC(=O)CSc2n[nH]c(=S)s2)C1=O ZINC001595090893 951773097 /nfs/dbraw/zinc/77/30/97/951773097.db2.gz UHNIEGKBDNDURB-SSDOTTSWSA-N -1 1 376.485 0.501 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@]2(C1)c1nc[nH]c1CCN2CC(=O)NCC(=O)[O-] ZINC001602886739 971781043 /nfs/dbraw/zinc/78/10/43/971781043.db2.gz XJZWIISNCCRSHX-SFHVURJKSA-N -1 1 393.444 0.305 20 0 GCADMM O=C([O-])COCCOCCNC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC001595112602 951915146 /nfs/dbraw/zinc/91/51/46/951915146.db2.gz AQMWXMCWAXMYCC-UHFFFAOYSA-N -1 1 377.441 0.632 20 0 GCADMM O=C([O-])COCCOCCNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC001595113655 951927673 /nfs/dbraw/zinc/92/76/73/951927673.db2.gz FHDQYKNFWFZRPU-ZDUSSCGKSA-N -1 1 381.433 0.689 20 0 GCADMM O=C([O-])COCCOCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC001595116680 951946565 /nfs/dbraw/zinc/94/65/65/951946565.db2.gz OWWPERFZSJNNIM-UHFFFAOYSA-N -1 1 387.332 0.807 20 0 GCADMM CC(C)(C)OC(=O)N1CCN([C@H]2CCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)CC1 ZINC001602888852 971789120 /nfs/dbraw/zinc/78/91/20/971789120.db2.gz MQIDSNJFAINPTF-GJZGRUSLSA-N -1 1 396.488 0.299 20 0 GCADMM C[C@@H]1[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000382027360 971796146 /nfs/dbraw/zinc/79/61/46/971796146.db2.gz QVDPONSHNXNHRW-CZUORRHYSA-N -1 1 378.454 0.909 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575127923 952060558 /nfs/dbraw/zinc/06/05/58/952060558.db2.gz DIFJLODNECLWKP-HZPDHXFCSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575127923 952060565 /nfs/dbraw/zinc/06/05/65/952060565.db2.gz DIFJLODNECLWKP-HZPDHXFCSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575128879 952075793 /nfs/dbraw/zinc/07/57/93/952075793.db2.gz NUHSZHQEALRKED-QDTBLXIISA-N -1 1 384.444 0.921 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575128879 952075803 /nfs/dbraw/zinc/07/58/03/952075803.db2.gz NUHSZHQEALRKED-QDTBLXIISA-N -1 1 384.444 0.921 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575129631 952083986 /nfs/dbraw/zinc/08/39/86/952083986.db2.gz XRNZVHZTCPMRAY-YVEFUNNKSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575129631 952083995 /nfs/dbraw/zinc/08/39/95/952083995.db2.gz XRNZVHZTCPMRAY-YVEFUNNKSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575132099 952090734 /nfs/dbraw/zinc/09/07/34/952090734.db2.gz CICNSTZDHQNTLK-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575132099 952090740 /nfs/dbraw/zinc/09/07/40/952090740.db2.gz CICNSTZDHQNTLK-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001602891777 971801728 /nfs/dbraw/zinc/80/17/28/971801728.db2.gz BWSAJENIMCYARE-LJQANCHMSA-N -1 1 397.472 0.631 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575132523 952093608 /nfs/dbraw/zinc/09/36/08/952093608.db2.gz FXCIOHAXSICACC-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575132523 952093618 /nfs/dbraw/zinc/09/36/18/952093618.db2.gz FXCIOHAXSICACC-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575132556 952095635 /nfs/dbraw/zinc/09/56/35/952095635.db2.gz GFQMUXPXIFIHEG-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575132556 952095644 /nfs/dbraw/zinc/09/56/44/952095644.db2.gz GFQMUXPXIFIHEG-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575133289 952101758 /nfs/dbraw/zinc/10/17/58/952101758.db2.gz DIPCORZVTULUEG-FZKQIMNGSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575133349 952103953 /nfs/dbraw/zinc/10/39/53/952103953.db2.gz FFEJLYCYQGKIPM-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575133349 952103958 /nfs/dbraw/zinc/10/39/58/952103958.db2.gz FFEJLYCYQGKIPM-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575134085 952107555 /nfs/dbraw/zinc/10/75/55/952107555.db2.gz LXYNJWUWBVPJII-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575134085 952107562 /nfs/dbraw/zinc/10/75/62/952107562.db2.gz LXYNJWUWBVPJII-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575135568 952119282 /nfs/dbraw/zinc/11/92/82/952119282.db2.gz LKHSQBFXIRHJLW-SGTLLEGYSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575136334 952124909 /nfs/dbraw/zinc/12/49/09/952124909.db2.gz ONWRDUBFLOJVRX-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575136334 952124911 /nfs/dbraw/zinc/12/49/11/952124911.db2.gz ONWRDUBFLOJVRX-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575136765 952128322 /nfs/dbraw/zinc/12/83/22/952128322.db2.gz WNVMAAWOYVSRMH-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575136765 952128328 /nfs/dbraw/zinc/12/83/28/952128328.db2.gz WNVMAAWOYVSRMH-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575136956 952130974 /nfs/dbraw/zinc/13/09/74/952130974.db2.gz YHACZQUKVIOXNV-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575136956 952130978 /nfs/dbraw/zinc/13/09/78/952130978.db2.gz YHACZQUKVIOXNV-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575136958 952131642 /nfs/dbraw/zinc/13/16/42/952131642.db2.gz YHACZQUKVIOXNV-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575136958 952131648 /nfs/dbraw/zinc/13/16/48/952131648.db2.gz YHACZQUKVIOXNV-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575137050 952132829 /nfs/dbraw/zinc/13/28/29/952132829.db2.gz SLPPKQJSYZFHLS-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575137050 952132834 /nfs/dbraw/zinc/13/28/34/952132834.db2.gz SLPPKQJSYZFHLS-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575139709 952141140 /nfs/dbraw/zinc/14/11/40/952141140.db2.gz BCUBMTUXMRZBGO-IPALMDDQSA-N -1 1 390.451 0.923 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575140538 952142431 /nfs/dbraw/zinc/14/24/31/952142431.db2.gz DOHHOUUARRILLP-MRXNPFEDSA-N -1 1 385.457 0.475 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575139860 952142457 /nfs/dbraw/zinc/14/24/57/952142457.db2.gz CQAKWWHEIJCPEZ-STQMWFEESA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575140734 952144173 /nfs/dbraw/zinc/14/41/73/952144173.db2.gz FULBYHCEVRDNHY-LBPRGKRZSA-N -1 1 379.428 0.464 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575141315 952144210 /nfs/dbraw/zinc/14/42/10/952144210.db2.gz GIWZZVRUTZJLNF-FZMZJTMJSA-N -1 1 380.412 0.341 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575143410 952153613 /nfs/dbraw/zinc/15/36/13/952153613.db2.gz PJKLUUBIZAPDJF-GFCCVEGCSA-N -1 1 379.428 0.464 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575144256 952164690 /nfs/dbraw/zinc/16/46/90/952164690.db2.gz HLTMVTVUNFYFHD-MRVPVSSYSA-N -1 1 392.374 0.322 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COc1ccccc1F ZINC001575144638 952169648 /nfs/dbraw/zinc/16/96/48/952169648.db2.gz WTZKVTNGADDUNU-LLVKDONJSA-N -1 1 386.391 0.556 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575145177 952180580 /nfs/dbraw/zinc/18/05/80/952180580.db2.gz RVEZIEVQUJKXGJ-LLVKDONJSA-N -1 1 382.432 0.184 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575145542 952185762 /nfs/dbraw/zinc/18/57/62/952185762.db2.gz ZQDHCUDUXUVOOC-NSHDSACASA-N -1 1 382.432 0.573 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575153106 952205659 /nfs/dbraw/zinc/20/56/59/952205659.db2.gz CPKJIHFRFIKHRM-YVEFUNNKSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575153106 952205665 /nfs/dbraw/zinc/20/56/65/952205665.db2.gz CPKJIHFRFIKHRM-YVEFUNNKSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575153349 952207978 /nfs/dbraw/zinc/20/79/78/952207978.db2.gz GRKHGRRMEWAWGW-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575153349 952207982 /nfs/dbraw/zinc/20/79/82/952207982.db2.gz GRKHGRRMEWAWGW-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575153531 952209769 /nfs/dbraw/zinc/20/97/69/952209769.db2.gz IABPWULIFYDGTN-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575153531 952209775 /nfs/dbraw/zinc/20/97/75/952209775.db2.gz IABPWULIFYDGTN-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CN1CCCCCC1=O ZINC001575153693 952211941 /nfs/dbraw/zinc/21/19/41/952211941.db2.gz JETZLWUTPHGKRK-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CN1CCCCCC1=O ZINC001575153693 952211947 /nfs/dbraw/zinc/21/19/47/952211947.db2.gz JETZLWUTPHGKRK-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1ccccc1=O ZINC001575153981 952214776 /nfs/dbraw/zinc/21/47/76/952214776.db2.gz NAMTWHOGNZYPFX-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1ccccc1=O ZINC001575153981 952214789 /nfs/dbraw/zinc/21/47/89/952214789.db2.gz NAMTWHOGNZYPFX-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575154163 952216035 /nfs/dbraw/zinc/21/60/35/952216035.db2.gz PKZNTYMRBFDMCP-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575154163 952216041 /nfs/dbraw/zinc/21/60/41/952216041.db2.gz PKZNTYMRBFDMCP-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575154160 952216222 /nfs/dbraw/zinc/21/62/22/952216222.db2.gz PGYBEARDZWIKAV-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575154160 952216227 /nfs/dbraw/zinc/21/62/27/952216227.db2.gz PGYBEARDZWIKAV-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575154126 952216810 /nfs/dbraw/zinc/21/68/10/952216810.db2.gz OGIBODHURUKUDD-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575154126 952216813 /nfs/dbraw/zinc/21/68/13/952216813.db2.gz OGIBODHURUKUDD-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575154173 952216902 /nfs/dbraw/zinc/21/69/02/952216902.db2.gz PNJIDGYBONOFFE-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575154112 952216907 /nfs/dbraw/zinc/21/69/07/952216907.db2.gz NXEFPYNCEYKKIY-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575154112 952216909 /nfs/dbraw/zinc/21/69/09/952216909.db2.gz NXEFPYNCEYKKIY-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575154257 952220411 /nfs/dbraw/zinc/22/04/11/952220411.db2.gz ADMFVUNKDYSIHU-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575154257 952220415 /nfs/dbraw/zinc/22/04/15/952220415.db2.gz ADMFVUNKDYSIHU-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1cccnc1 ZINC001575154577 952227149 /nfs/dbraw/zinc/22/71/49/952227149.db2.gz SVVUPUNANHPPRA-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1cccnc1 ZINC001575154577 952227155 /nfs/dbraw/zinc/22/71/55/952227155.db2.gz SVVUPUNANHPPRA-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575154679 952229507 /nfs/dbraw/zinc/22/95/07/952229507.db2.gz UJUCYWNFCYOMEV-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575154679 952229512 /nfs/dbraw/zinc/22/95/12/952229512.db2.gz UJUCYWNFCYOMEV-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575155070 952235259 /nfs/dbraw/zinc/23/52/59/952235259.db2.gz WEBFOOIMPLGZHC-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575155070 952235263 /nfs/dbraw/zinc/23/52/63/952235263.db2.gz WEBFOOIMPLGZHC-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575155750 952243232 /nfs/dbraw/zinc/24/32/32/952243232.db2.gz ABTATOIPBXUZST-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575155750 952243237 /nfs/dbraw/zinc/24/32/37/952243237.db2.gz ABTATOIPBXUZST-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575155877 952245469 /nfs/dbraw/zinc/24/54/69/952245469.db2.gz AOVGLIXTOPTBHS-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575155877 952245478 /nfs/dbraw/zinc/24/54/78/952245478.db2.gz AOVGLIXTOPTBHS-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575156253 952249906 /nfs/dbraw/zinc/24/99/06/952249906.db2.gz RKYOXPDJMMDJGW-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575156253 952249912 /nfs/dbraw/zinc/24/99/12/952249912.db2.gz RKYOXPDJMMDJGW-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575156603 952255215 /nfs/dbraw/zinc/25/52/15/952255215.db2.gz GJRPICFHBXIONM-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575156603 952255221 /nfs/dbraw/zinc/25/52/21/952255221.db2.gz GJRPICFHBXIONM-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc2nccn21 ZINC001575156931 952260037 /nfs/dbraw/zinc/26/00/37/952260037.db2.gz ISSHZIYLJQIFQE-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2nccn21 ZINC001575156931 952260044 /nfs/dbraw/zinc/26/00/44/952260044.db2.gz ISSHZIYLJQIFQE-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575157203 952261154 /nfs/dbraw/zinc/26/11/54/952261154.db2.gz YASSPMOSHJDKJY-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575157203 952261160 /nfs/dbraw/zinc/26/11/60/952261160.db2.gz YASSPMOSHJDKJY-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncc(F)cc1F ZINC001575157239 952261559 /nfs/dbraw/zinc/26/15/59/952261559.db2.gz YILBVVZRAZBBOG-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncc(F)cc1F ZINC001575157239 952261565 /nfs/dbraw/zinc/26/15/65/952261565.db2.gz YILBVVZRAZBBOG-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575157282 952262594 /nfs/dbraw/zinc/26/25/94/952262594.db2.gz KUTQXZFSIYEISL-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575157282 952262597 /nfs/dbraw/zinc/26/25/97/952262597.db2.gz KUTQXZFSIYEISL-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575157309 952263398 /nfs/dbraw/zinc/26/33/98/952263398.db2.gz ZCXPKDFUKCTYDF-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575157309 952263402 /nfs/dbraw/zinc/26/34/02/952263402.db2.gz ZCXPKDFUKCTYDF-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575157318 952263683 /nfs/dbraw/zinc/26/36/83/952263683.db2.gz ZIGYLMKPNYMTHQ-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575157318 952263691 /nfs/dbraw/zinc/26/36/91/952263691.db2.gz ZIGYLMKPNYMTHQ-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575157407 952264814 /nfs/dbraw/zinc/26/48/14/952264814.db2.gz MOUQQSMWHVEDPC-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575157407 952264820 /nfs/dbraw/zinc/26/48/20/952264820.db2.gz MOUQQSMWHVEDPC-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575157645 952266811 /nfs/dbraw/zinc/26/68/11/952266811.db2.gz NYMAKHFJIPASSL-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575157645 952266817 /nfs/dbraw/zinc/26/68/17/952266817.db2.gz NYMAKHFJIPASSL-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575158272 952269509 /nfs/dbraw/zinc/26/95/09/952269509.db2.gz SJLDAZDEPALBJT-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575158272 952269516 /nfs/dbraw/zinc/26/95/16/952269516.db2.gz SJLDAZDEPALBJT-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575159284 952276654 /nfs/dbraw/zinc/27/66/54/952276654.db2.gz ZMBUVOJHAZKWMA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575159284 952276657 /nfs/dbraw/zinc/27/66/57/952276657.db2.gz ZMBUVOJHAZKWMA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575164832 952299991 /nfs/dbraw/zinc/29/99/91/952299991.db2.gz ICFIRMLJSCMAOK-QYNIQEEDSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575164857 952300501 /nfs/dbraw/zinc/30/05/01/952300501.db2.gz IFSGTEBKMMQUPA-RITPCOANSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575164857 952300507 /nfs/dbraw/zinc/30/05/07/952300507.db2.gz IFSGTEBKMMQUPA-RITPCOANSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn(C)n1 ZINC001575165253 952305893 /nfs/dbraw/zinc/30/58/93/952305893.db2.gz MIZMGYCOJMAPAB-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn(C)n1 ZINC001575165253 952305899 /nfs/dbraw/zinc/30/58/99/952305899.db2.gz MIZMGYCOJMAPAB-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1COCCO1 ZINC001575165951 952317961 /nfs/dbraw/zinc/31/79/61/952317961.db2.gz RITWMMGALUTUJE-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1COCCO1 ZINC001575165951 952317966 /nfs/dbraw/zinc/31/79/66/952317966.db2.gz RITWMMGALUTUJE-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575166785 952330204 /nfs/dbraw/zinc/33/02/04/952330204.db2.gz ZDEPPULRXACGDP-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575173848 952357196 /nfs/dbraw/zinc/35/71/96/952357196.db2.gz BHDXVLOAZLOETA-PXAZEXFGSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575173848 952357199 /nfs/dbraw/zinc/35/71/99/952357199.db2.gz BHDXVLOAZLOETA-PXAZEXFGSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575173929 952359409 /nfs/dbraw/zinc/35/94/09/952359409.db2.gz CXWWPUSEQVCFLN-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575173929 952359417 /nfs/dbraw/zinc/35/94/17/952359417.db2.gz CXWWPUSEQVCFLN-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575174118 952363184 /nfs/dbraw/zinc/36/31/84/952363184.db2.gz HLVCFSJGUNBIOL-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575174118 952363191 /nfs/dbraw/zinc/36/31/91/952363191.db2.gz HLVCFSJGUNBIOL-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575174185 952366160 /nfs/dbraw/zinc/36/61/60/952366160.db2.gz IYGDSMGPVNQOTF-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575174185 952366166 /nfs/dbraw/zinc/36/61/66/952366166.db2.gz IYGDSMGPVNQOTF-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575174350 952369124 /nfs/dbraw/zinc/36/91/24/952369124.db2.gz MTZWCXSXMMUXDO-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575174350 952369133 /nfs/dbraw/zinc/36/91/33/952369133.db2.gz MTZWCXSXMMUXDO-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575174342 952369149 /nfs/dbraw/zinc/36/91/49/952369149.db2.gz MODFIJAUXLZKBO-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575174342 952369152 /nfs/dbraw/zinc/36/91/52/952369152.db2.gz MODFIJAUXLZKBO-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575174392 952370884 /nfs/dbraw/zinc/37/08/84/952370884.db2.gz NOWBCEANKJTIHA-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575174392 952370891 /nfs/dbraw/zinc/37/08/91/952370891.db2.gz NOWBCEANKJTIHA-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575174467 952372561 /nfs/dbraw/zinc/37/25/61/952372561.db2.gz ORYOYFDGWJATGD-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575174467 952372568 /nfs/dbraw/zinc/37/25/68/952372568.db2.gz ORYOYFDGWJATGD-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1nnc[nH]1 ZINC001575174647 952377059 /nfs/dbraw/zinc/37/70/59/952377059.db2.gz BOZGJURPSXUVOI-ZCFIWIBFSA-N -1 1 382.841 0.596 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575174679 952378649 /nfs/dbraw/zinc/37/86/49/952378649.db2.gz CJZXTMAVYZVAHZ-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575174679 952378656 /nfs/dbraw/zinc/37/86/56/952378656.db2.gz CJZXTMAVYZVAHZ-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575176977 952396912 /nfs/dbraw/zinc/39/69/12/952396912.db2.gz FYAZBQISUUKJKK-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575176977 952396920 /nfs/dbraw/zinc/39/69/20/952396920.db2.gz FYAZBQISUUKJKK-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575177159 952398826 /nfs/dbraw/zinc/39/88/26/952398826.db2.gz GWHKBQDOGVFPKD-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575177159 952398831 /nfs/dbraw/zinc/39/88/31/952398831.db2.gz GWHKBQDOGVFPKD-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc2nccnc2c1 ZINC001575177830 952403517 /nfs/dbraw/zinc/40/35/17/952403517.db2.gz KCZJBRQNBPXDBC-SNVBAGLBSA-N -1 1 391.399 0.568 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc2nccnc2c1 ZINC001575177830 952403520 /nfs/dbraw/zinc/40/35/20/952403520.db2.gz KCZJBRQNBPXDBC-SNVBAGLBSA-N -1 1 391.399 0.568 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575179604 952412909 /nfs/dbraw/zinc/41/29/09/952412909.db2.gz QGUMFCWUXPIWCY-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575179604 952412914 /nfs/dbraw/zinc/41/29/14/952412914.db2.gz QGUMFCWUXPIWCY-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ncn(C)n1 ZINC001575180127 952415477 /nfs/dbraw/zinc/41/54/77/952415477.db2.gz RWUPEOVDKBTNNR-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ncn(C)n1 ZINC001575180127 952415480 /nfs/dbraw/zinc/41/54/80/952415480.db2.gz RWUPEOVDKBTNNR-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CC1 ZINC001575185253 952430490 /nfs/dbraw/zinc/43/04/90/952430490.db2.gz OAKNFCOUGYQDFJ-NEPJUHHUSA-N -1 1 392.489 0.543 20 0 GCADMM C[C@H](CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CC1 ZINC001575185253 952430493 /nfs/dbraw/zinc/43/04/93/952430493.db2.gz OAKNFCOUGYQDFJ-NEPJUHHUSA-N -1 1 392.489 0.543 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575188465 952447680 /nfs/dbraw/zinc/44/76/80/952447680.db2.gz ILQNCUUZTUVGOB-RYUDHWBXSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575188465 952447683 /nfs/dbraw/zinc/44/76/83/952447683.db2.gz ILQNCUUZTUVGOB-RYUDHWBXSA-N -1 1 386.416 0.360 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3cc(F)cc(F)c3C2)n(C)c1=O ZINC001571115266 952465396 /nfs/dbraw/zinc/46/53/96/952465396.db2.gz TTZULUCDOWMJND-UHFFFAOYSA-N -1 1 375.339 0.105 20 0 GCADMM C[C@H](Cc1ccccc1F)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575191819 952469777 /nfs/dbraw/zinc/46/97/77/952469777.db2.gz YTKUXQWRYJFZQK-SNVBAGLBSA-N -1 1 387.375 0.406 20 0 GCADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001571116618 952475696 /nfs/dbraw/zinc/47/56/96/952475696.db2.gz ANCZAZNTZRQHBJ-GRYCIOLGSA-N -1 1 375.458 0.990 20 0 GCADMM Cc1nsc(NCC[C@@H]2CCN(C(=O)c3cnon3)C2)c1-c1nn[n-]n1 ZINC001571116667 952476580 /nfs/dbraw/zinc/47/65/80/952476580.db2.gz BUXZPVPFGYCXNX-SECBINFHSA-N -1 1 375.418 0.979 20 0 GCADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3cnon3)CC2)c1-c1nn[n-]n1 ZINC001571117303 952480579 /nfs/dbraw/zinc/48/05/79/952480579.db2.gz IUDUILLLVREZRF-SECBINFHSA-N -1 1 375.418 0.804 20 0 GCADMM CCCC[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCC1 ZINC001571117339 952480779 /nfs/dbraw/zinc/48/07/79/952480779.db2.gz JOLBHNKEUOFZJD-CYBMUJFWSA-N -1 1 375.433 0.994 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197315 952481667 /nfs/dbraw/zinc/48/16/67/952481667.db2.gz SVPUVCPZLWTITK-BXUZGUMPSA-N -1 1 382.428 0.857 20 0 GCADMM Cc1nsc(N2CC[C@@](C)(NC(=O)[C@]34C[C@H]3COC4)C2)c1-c1nn[n-]n1 ZINC001571117585 952483476 /nfs/dbraw/zinc/48/34/76/952483476.db2.gz NKFOSUSEWJIEJL-JQAFLVLXSA-N -1 1 375.458 0.753 20 0 GCADMM COCc1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC001571117563 952483597 /nfs/dbraw/zinc/48/35/97/952483597.db2.gz NEKOBXVNSQJSRT-UHFFFAOYSA-N -1 1 375.414 0.677 20 0 GCADMM Cc1nsc(N2CCC(N(C)C(=O)c3cnon3)CC2)c1-c1nn[n-]n1 ZINC001571118657 952489190 /nfs/dbraw/zinc/48/91/90/952489190.db2.gz YDRGZKLAEOWSEN-UHFFFAOYSA-N -1 1 375.418 0.756 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575199565 952489727 /nfs/dbraw/zinc/48/97/27/952489727.db2.gz DBXXHFGHZXVGLF-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575199565 952489730 /nfs/dbraw/zinc/48/97/30/952489730.db2.gz DBXXHFGHZXVGLF-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM Cc1nonc1C(=O)NCC1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571118696 952489734 /nfs/dbraw/zinc/48/97/34/952489734.db2.gz YVFIBJRUAFQCLE-UHFFFAOYSA-N -1 1 375.418 0.944 20 0 GCADMM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCNC(=O)CC1 ZINC001571118671 952489967 /nfs/dbraw/zinc/48/99/67/952489967.db2.gz YIINDSSXMSBNDO-SNVBAGLBSA-N -1 1 375.458 0.145 20 0 GCADMM O=C(c1cc(C(F)F)n[nH]1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571119850 952495572 /nfs/dbraw/zinc/49/55/72/952495572.db2.gz FTWUOMVFWUDVDI-ZETCQYMHSA-N -1 1 376.331 0.644 20 0 GCADMM O=C(c1cc(C(F)F)n[nH]1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571119850 952495574 /nfs/dbraw/zinc/49/55/74/952495574.db2.gz FTWUOMVFWUDVDI-ZETCQYMHSA-N -1 1 376.331 0.644 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575200659 952498467 /nfs/dbraw/zinc/49/84/67/952498467.db2.gz JZLXDOSAICVKCK-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575200659 952498474 /nfs/dbraw/zinc/49/84/74/952498474.db2.gz JZLXDOSAICVKCK-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001575201142 952501102 /nfs/dbraw/zinc/50/11/02/952501102.db2.gz HGBAVBBBBRINAE-ZZVYKPCYSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001575201142 952501105 /nfs/dbraw/zinc/50/11/05/952501105.db2.gz HGBAVBBBBRINAE-ZZVYKPCYSA-N -1 1 380.412 0.679 20 0 GCADMM COC(=O)[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)CC1CCCC1 ZINC001571120345 952501856 /nfs/dbraw/zinc/50/18/56/952501856.db2.gz LGCRYCNMMRQZOL-ZYHUDNBSSA-N -1 1 376.421 0.505 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cc(Cl)no1 ZINC001571120544 952504797 /nfs/dbraw/zinc/50/47/97/952504797.db2.gz NFMJYXXYSLBSSS-UHFFFAOYSA-N -1 1 375.780 0.697 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cc(Cl)no1 ZINC001571120544 952504799 /nfs/dbraw/zinc/50/47/99/952504799.db2.gz NFMJYXXYSLBSSS-UHFFFAOYSA-N -1 1 375.780 0.697 20 0 GCADMM O=C(NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@]1(F)CCOC1 ZINC001571120493 952505309 /nfs/dbraw/zinc/50/53/09/952505309.db2.gz NUKZKVMSTIOFJS-CLIRUNRCSA-N -1 1 376.396 0.625 20 0 GCADMM O=C(NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@]1(F)CCOC1 ZINC001571120493 952505316 /nfs/dbraw/zinc/50/53/16/952505316.db2.gz NUKZKVMSTIOFJS-CLIRUNRCSA-N -1 1 376.396 0.625 20 0 GCADMM C[C@@H](Cc1ccsc1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575202021 952509719 /nfs/dbraw/zinc/50/97/19/952509719.db2.gz MDGBNTZRQLNPMS-VIFPVBQESA-N -1 1 375.414 0.280 20 0 GCADMM O=C(N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)C1(C(F)F)CCC1 ZINC001571120816 952510228 /nfs/dbraw/zinc/51/02/28/952510228.db2.gz QYWJJOYQJWYASN-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM O=C(N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)C1(C(F)F)CCC1 ZINC001571120816 952510230 /nfs/dbraw/zinc/51/02/30/952510230.db2.gz QYWJJOYQJWYASN-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM C[C@H](Cc1cccs1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575202054 952510625 /nfs/dbraw/zinc/51/06/25/952510625.db2.gz MXCQASJESXEBNH-SECBINFHSA-N -1 1 375.414 0.328 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@@H]1CCC(F)(F)C1 ZINC001571121019 952513574 /nfs/dbraw/zinc/51/35/74/952513574.db2.gz VDFPJKKHSBTUNS-DNJQJEMRSA-N -1 1 376.371 0.643 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@@H]1CCC(F)(F)C1 ZINC001571121019 952513578 /nfs/dbraw/zinc/51/35/78/952513578.db2.gz VDFPJKKHSBTUNS-DNJQJEMRSA-N -1 1 376.371 0.643 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575202585 952514087 /nfs/dbraw/zinc/51/40/87/952514087.db2.gz WCLJATBANVINLJ-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575202585 952514092 /nfs/dbraw/zinc/51/40/92/952514092.db2.gz WCLJATBANVINLJ-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001571121116 952514443 /nfs/dbraw/zinc/51/44/43/952514443.db2.gz WRZQENVWPVWPIE-SECBINFHSA-N -1 1 376.398 0.221 20 0 GCADMM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)O2)[C@H]1C ZINC001571121079 952514571 /nfs/dbraw/zinc/51/45/71/952514571.db2.gz WBSSDBVCVGKAKI-ZGNZKYAMSA-N -1 1 376.421 0.694 20 0 GCADMM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)O2)[C@H]1C ZINC001571121079 952514578 /nfs/dbraw/zinc/51/45/78/952514578.db2.gz WBSSDBVCVGKAKI-ZGNZKYAMSA-N -1 1 376.421 0.694 20 0 GCADMM O=C(N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1(F)CCOCC1 ZINC001571121128 952514890 /nfs/dbraw/zinc/51/48/90/952514890.db2.gz WUZUWQJVLPRDIM-LLVKDONJSA-N -1 1 376.396 0.578 20 0 GCADMM O=C(N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1(F)CCOCC1 ZINC001571121128 952514896 /nfs/dbraw/zinc/51/48/96/952514896.db2.gz WUZUWQJVLPRDIM-LLVKDONJSA-N -1 1 376.396 0.578 20 0 GCADMM C[C@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571121282 952517983 /nfs/dbraw/zinc/51/79/83/952517983.db2.gz ZTOCRYQLGQPMAM-IONNQARKSA-N -1 1 375.780 0.871 20 0 GCADMM C[C@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571121282 952517988 /nfs/dbraw/zinc/51/79/88/952517988.db2.gz ZTOCRYQLGQPMAM-IONNQARKSA-N -1 1 375.780 0.871 20 0 GCADMM CC(=O)CC(C)(C)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571121323 952519055 /nfs/dbraw/zinc/51/90/55/952519055.db2.gz YLSDWYXELPTILL-UHFFFAOYSA-N -1 1 376.421 0.760 20 0 GCADMM CC(=O)CC(C)(C)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571121323 952519060 /nfs/dbraw/zinc/51/90/60/952519060.db2.gz YLSDWYXELPTILL-UHFFFAOYSA-N -1 1 376.421 0.760 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571121361 952519491 /nfs/dbraw/zinc/51/94/91/952519491.db2.gz ZSDHLPOJFBCFFU-QFYYESIMSA-N -1 1 376.396 0.043 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571121361 952519495 /nfs/dbraw/zinc/51/94/95/952519495.db2.gz ZSDHLPOJFBCFFU-QFYYESIMSA-N -1 1 376.396 0.043 20 0 GCADMM Cc1cccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571121339 952519576 /nfs/dbraw/zinc/51/95/76/952519576.db2.gz YWBIVLWVXBIEOM-GJZGRUSLSA-N -1 1 376.424 0.997 20 0 GCADMM Cc1cccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571121339 952519579 /nfs/dbraw/zinc/51/95/79/952519579.db2.gz YWBIVLWVXBIEOM-GJZGRUSLSA-N -1 1 376.424 0.997 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001575203284 952519867 /nfs/dbraw/zinc/51/98/67/952519867.db2.gz SPKKRPIAVBBYPM-CNXAATOLSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001575203284 952519869 /nfs/dbraw/zinc/51/98/69/952519869.db2.gz SPKKRPIAVBBYPM-CNXAATOLSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575206756 952530781 /nfs/dbraw/zinc/53/07/81/952530781.db2.gz LOVHKBJLXIBTFL-RYUDHWBXSA-N -1 1 384.448 0.210 20 0 GCADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1ncc(F)cc1F ZINC001571124998 952546840 /nfs/dbraw/zinc/54/68/40/952546840.db2.gz XTZPKMDBYCAGLN-UHFFFAOYSA-N -1 1 377.315 0.352 20 0 GCADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1ncc(F)cc1F ZINC001571124998 952546843 /nfs/dbraw/zinc/54/68/43/952546843.db2.gz XTZPKMDBYCAGLN-UHFFFAOYSA-N -1 1 377.315 0.352 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2cccnc21 ZINC001571126971 952548000 /nfs/dbraw/zinc/54/80/00/952548000.db2.gz AYMDMMJEWMTGSL-CHWSQXEVSA-N -1 1 377.412 0.477 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2cccnc21 ZINC001571126971 952548004 /nfs/dbraw/zinc/54/80/04/952548004.db2.gz AYMDMMJEWMTGSL-CHWSQXEVSA-N -1 1 377.412 0.477 20 0 GCADMM Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)n1 ZINC001571127083 952550235 /nfs/dbraw/zinc/55/02/35/952550235.db2.gz FPRHMXBVQKVJDE-BETUJISGSA-N -1 1 377.412 0.854 20 0 GCADMM Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)n1 ZINC001571127083 952550241 /nfs/dbraw/zinc/55/02/41/952550241.db2.gz FPRHMXBVQKVJDE-BETUJISGSA-N -1 1 377.412 0.854 20 0 GCADMM O=C(c1cccnc1)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571127153 952551353 /nfs/dbraw/zinc/55/13/53/952551353.db2.gz HFHAFOMSFDXAQY-ZIAGYGMSSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(c1cccnc1)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571127153 952551357 /nfs/dbraw/zinc/55/13/57/952551357.db2.gz HFHAFOMSFDXAQY-ZIAGYGMSSA-N -1 1 377.412 0.793 20 0 GCADMM O=S(=O)(NCC[C@H]1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)s1 ZINC001571127200 952551473 /nfs/dbraw/zinc/55/14/73/952551473.db2.gz BDVXAZQXWYLHOG-MRVPVSSYSA-N -1 1 377.473 0.174 20 0 GCADMM O=S(=O)(NCC[C@H]1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)s1 ZINC001571127200 952551477 /nfs/dbraw/zinc/55/14/77/952551477.db2.gz BDVXAZQXWYLHOG-MRVPVSSYSA-N -1 1 377.473 0.174 20 0 GCADMM Cc1nsc(NC[C@@H]2CCN(C(=O)C3=COCCO3)C2)c1-c1nn[n-]n1 ZINC001571127446 952555452 /nfs/dbraw/zinc/55/54/52/952555452.db2.gz JJPRUTYFBMMNJS-JTQLQIEISA-N -1 1 377.430 0.780 20 0 GCADMM Cc1nsc(NC[C@H]2CCN(C(=O)C3=COCCO3)C2)c1-c1nn[n-]n1 ZINC001571127447 952555475 /nfs/dbraw/zinc/55/54/75/952555475.db2.gz JJPRUTYFBMMNJS-SNVBAGLBSA-N -1 1 377.430 0.780 20 0 GCADMM CC[C@H](OC)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571127402 952555695 /nfs/dbraw/zinc/55/56/95/952555695.db2.gz GJPUABPBTONVHN-TUAOUCFPSA-N -1 1 377.474 0.951 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001571127478 952556309 /nfs/dbraw/zinc/55/63/09/952556309.db2.gz KKLBOPWXXFEULI-KBPBESRZSA-N -1 1 377.412 0.392 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571127507 952556326 /nfs/dbraw/zinc/55/63/26/952556326.db2.gz LIGOWGRNXDZCGU-KYXWUPHJSA-N -1 1 377.430 0.500 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571127509 952556417 /nfs/dbraw/zinc/55/64/17/952556417.db2.gz LIGOWGRNXDZCGU-ZYUZMQFOSA-N -1 1 377.430 0.500 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(C2CC2)cn1 ZINC001571128146 952563099 /nfs/dbraw/zinc/56/30/99/952563099.db2.gz PAXMDGCOJIMNGI-CYBMUJFWSA-N -1 1 377.412 0.938 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575214942 952566862 /nfs/dbraw/zinc/56/68/62/952566862.db2.gz PZQAIVFMCCZCRT-UHFFFAOYSA-N -1 1 384.391 0.571 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575214942 952566866 /nfs/dbraw/zinc/56/68/66/952566866.db2.gz PZQAIVFMCCZCRT-UHFFFAOYSA-N -1 1 384.391 0.571 20 0 GCADMM Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571128451 952566864 /nfs/dbraw/zinc/56/68/64/952566864.db2.gz SPSJKOLBHLSLJH-OKILXGFUSA-N -1 1 377.412 0.854 20 0 GCADMM Cn1c(=O)[nH]c(NC[C@@](C)(O)c2cccc(Cl)c2)c(-c2nn[n-]n2)c1=O ZINC001571128716 952569766 /nfs/dbraw/zinc/56/97/66/952569766.db2.gz WXGWLMPBFHLKFE-OAHLLOKOSA-N -1 1 377.792 0.639 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2cccnc2C1 ZINC001571128785 952571019 /nfs/dbraw/zinc/57/10/19/952571019.db2.gz WKRJIWVBUIESMX-STQMWFEESA-N -1 1 377.412 0.162 20 0 GCADMM O=C(c1cccnc1)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571128892 952572076 /nfs/dbraw/zinc/57/20/76/952572076.db2.gz XNCTWRLUQBWBIG-ZIAGYGMSSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1cccnc1)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571128892 952572078 /nfs/dbraw/zinc/57/20/78/952572078.db2.gz XNCTWRLUQBWBIG-ZIAGYGMSSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1cccnc1)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571128884 952572160 /nfs/dbraw/zinc/57/21/60/952572160.db2.gz XNCTWRLUQBWBIG-KBPBESRZSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1cccnc1)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571128884 952572162 /nfs/dbraw/zinc/57/21/62/952572162.db2.gz XNCTWRLUQBWBIG-KBPBESRZSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCO2 ZINC001571129539 952575224 /nfs/dbraw/zinc/57/52/24/952575224.db2.gz GLRWDCHDAIEBFR-ZDUSSCGKSA-N -1 1 378.396 0.600 20 0 GCADMM CCN(C(=O)[C@H]1C[C@@H]1C(F)F)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571129663 952576688 /nfs/dbraw/zinc/57/66/88/952576688.db2.gz HGAHJWUDELTLPP-DCAQKATOSA-N -1 1 378.387 0.985 20 0 GCADMM CCN(C(=O)[C@H]1C[C@@H]1C(F)F)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571129663 952576694 /nfs/dbraw/zinc/57/66/94/952576694.db2.gz HGAHJWUDELTLPP-DCAQKATOSA-N -1 1 378.387 0.985 20 0 GCADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1cncc(C(F)F)c1 ZINC001571130758 952581465 /nfs/dbraw/zinc/58/14/65/952581465.db2.gz WUKSJRIZDPQGBK-UHFFFAOYSA-N -1 1 378.299 0.490 20 0 GCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001571130927 952582589 /nfs/dbraw/zinc/58/25/89/952582589.db2.gz YVCJFUMBOTZRPL-GHMZBOCLSA-N -1 1 378.389 0.478 20 0 GCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001571130927 952582591 /nfs/dbraw/zinc/58/25/91/952582591.db2.gz YVCJFUMBOTZRPL-GHMZBOCLSA-N -1 1 378.389 0.478 20 0 GCADMM O=C([C@H]1CCCCC1(F)F)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130923 952583036 /nfs/dbraw/zinc/58/30/36/952583036.db2.gz YOWIZCPKPVOLEF-GHMZBOCLSA-N -1 1 378.387 0.917 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)n1 ZINC001571130948 952583808 /nfs/dbraw/zinc/58/38/08/952583808.db2.gz ZTMWRFQZIRSAOO-DCAQKATOSA-N -1 1 378.387 0.951 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)n1 ZINC001571130948 952583812 /nfs/dbraw/zinc/58/38/12/952583812.db2.gz ZTMWRFQZIRSAOO-DCAQKATOSA-N -1 1 378.387 0.951 20 0 GCADMM Cc1cccc(CC(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134483 952591183 /nfs/dbraw/zinc/59/11/83/952591183.db2.gz IWLAHGALWJMXGN-HNNXBMFYSA-N -1 1 378.440 0.890 20 0 GCADMM O=C(c1cncnc1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571135661 952607222 /nfs/dbraw/zinc/60/72/22/952607222.db2.gz AMLYJUTYOSSEPK-OLZOCXBDSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cncnc1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571135661 952607227 /nfs/dbraw/zinc/60/72/27/952607227.db2.gz AMLYJUTYOSSEPK-OLZOCXBDSA-N -1 1 378.400 0.330 20 0 GCADMM Cc1nsc(NCC2CC(NC(=O)[C@@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571135769 952607630 /nfs/dbraw/zinc/60/76/30/952607630.db2.gz DAGKMECLVNOEJP-HACHORDNSA-N -1 1 378.418 0.047 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135807 952608885 /nfs/dbraw/zinc/60/88/85/952608885.db2.gz FDXOJNUIOXLOCR-LLVKDONJSA-N -1 1 378.400 0.651 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135807 952608890 /nfs/dbraw/zinc/60/88/90/952608890.db2.gz FDXOJNUIOXLOCR-LLVKDONJSA-N -1 1 378.400 0.651 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571135897 952610132 /nfs/dbraw/zinc/61/01/32/952610132.db2.gz HHOKHDYHUSDZPX-UHFFFAOYSA-N -1 1 378.400 0.287 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571135897 952610135 /nfs/dbraw/zinc/61/01/35/952610135.db2.gz HHOKHDYHUSDZPX-UHFFFAOYSA-N -1 1 378.400 0.287 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cncnc1C1CC1 ZINC001571135887 952610171 /nfs/dbraw/zinc/61/01/71/952610171.db2.gz HAXUIHBDZRWMLJ-NSHDSACASA-N -1 1 378.400 0.333 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cncnc1C1CC1 ZINC001571135887 952610173 /nfs/dbraw/zinc/61/01/73/952610173.db2.gz HAXUIHBDZRWMLJ-NSHDSACASA-N -1 1 378.400 0.333 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)[C@@H](F)C(C)C)CCO2)n1 ZINC001571135938 952610905 /nfs/dbraw/zinc/61/09/05/952610905.db2.gz IQIOIALHKLCRDF-AAEUAGOBSA-N -1 1 378.412 0.599 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)[C@@H](F)C(C)C)CCO2)n1 ZINC001571135938 952610907 /nfs/dbraw/zinc/61/09/07/952610907.db2.gz IQIOIALHKLCRDF-AAEUAGOBSA-N -1 1 378.412 0.599 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571136166 952612929 /nfs/dbraw/zinc/61/29/29/952612929.db2.gz NRTREIIJNALAFX-UTUOFQBUSA-N -1 1 378.400 0.295 20 0 GCADMM O=C(c1ccc2c(c1)COC2)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571136428 952613878 /nfs/dbraw/zinc/61/38/78/952613878.db2.gz QDCAROSEGBMNSO-AWEZNQCLSA-N -1 1 378.396 0.435 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1Cc2ccccc2O1 ZINC001571136773 952615704 /nfs/dbraw/zinc/61/57/04/952615704.db2.gz VJRWTOGRLJRYBX-IUODEOHRSA-N -1 1 378.396 0.355 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1Cc2ccccc2O1 ZINC001571136773 952615706 /nfs/dbraw/zinc/61/57/06/952615706.db2.gz VJRWTOGRLJRYBX-IUODEOHRSA-N -1 1 378.396 0.355 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)c1ncccn1 ZINC001571136811 952616421 /nfs/dbraw/zinc/61/64/21/952616421.db2.gz WRFJTLQCIDMHSX-YOGCLGLASA-N -1 1 378.400 0.377 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)c1ncccn1 ZINC001571136811 952616423 /nfs/dbraw/zinc/61/64/23/952616423.db2.gz WRFJTLQCIDMHSX-YOGCLGLASA-N -1 1 378.400 0.377 20 0 GCADMM O=C(c1cnoc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571139275 952619654 /nfs/dbraw/zinc/61/96/54/952619654.db2.gz DZBIVNJSAVCDEI-QWRGUYRKSA-N -1 1 379.384 0.625 20 0 GCADMM O=C(c1cnoc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571139275 952619656 /nfs/dbraw/zinc/61/96/56/952619656.db2.gz DZBIVNJSAVCDEI-QWRGUYRKSA-N -1 1 379.384 0.625 20 0 GCADMM Cc1nc([C@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(F)c3)C2)no1 ZINC001571140868 952629547 /nfs/dbraw/zinc/62/95/47/952629547.db2.gz UULBXJMIJBIZNG-VIFPVBQESA-N -1 1 379.377 0.875 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ncc(Br)cn2)n1 ZINC001571141665 952634634 /nfs/dbraw/zinc/63/46/34/952634634.db2.gz KFANGCHZEOMHCA-UHFFFAOYSA-N -1 1 379.182 0.474 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ncc(Br)cn2)n1 ZINC001571141665 952634635 /nfs/dbraw/zinc/63/46/35/952634635.db2.gz KFANGCHZEOMHCA-UHFFFAOYSA-N -1 1 379.182 0.474 20 0 GCADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cc2c([nH]1)CCC2 ZINC001571146509 952648874 /nfs/dbraw/zinc/64/88/74/952648874.db2.gz HRSALKOXWXOJDF-LBPRGKRZSA-N -1 1 379.428 0.872 20 0 GCADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cc2c([nH]1)CCC2 ZINC001571146509 952648877 /nfs/dbraw/zinc/64/88/77/952648877.db2.gz HRSALKOXWXOJDF-LBPRGKRZSA-N -1 1 379.428 0.872 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)c3cncc(C)c3)CC2)n1 ZINC001571146661 952651423 /nfs/dbraw/zinc/65/14/23/952651423.db2.gz AHKKTNZYKKZYMA-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)c3cncc(C)c3)CC2)n1 ZINC001571146661 952651429 /nfs/dbraw/zinc/65/14/29/952651429.db2.gz AHKKTNZYKKZYMA-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001571146699 952651575 /nfs/dbraw/zinc/65/15/75/952651575.db2.gz LSCKDCLLFXGHKK-SWLSCSKDSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001571146699 952651577 /nfs/dbraw/zinc/65/15/77/952651577.db2.gz LSCKDCLLFXGHKK-SWLSCSKDSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1cccc1C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571146850 952653089 /nfs/dbraw/zinc/65/30/89/952653089.db2.gz NXNPZVFTRIJWMS-SGTLLEGYSA-N -1 1 379.428 0.784 20 0 GCADMM Cn1cccc1C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571146850 952653093 /nfs/dbraw/zinc/65/30/93/952653093.db2.gz NXNPZVFTRIJWMS-SGTLLEGYSA-N -1 1 379.428 0.784 20 0 GCADMM O=C(Cc1ccc[nH]1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571147024 952657021 /nfs/dbraw/zinc/65/70/21/952657021.db2.gz QJVUNPVHVNNNEU-SGTLLEGYSA-N -1 1 379.428 0.703 20 0 GCADMM O=C(Cc1ccc[nH]1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571147024 952657025 /nfs/dbraw/zinc/65/70/25/952657025.db2.gz QJVUNPVHVNNNEU-SGTLLEGYSA-N -1 1 379.428 0.703 20 0 GCADMM O=C(c1cc2c([nH]1)CCC2)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571147431 952661481 /nfs/dbraw/zinc/66/14/81/952661481.db2.gz XUWGUCMBVFRQJZ-LBPRGKRZSA-N -1 1 379.428 0.612 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)c3ccncc3)C2)n1 ZINC001571147522 952662401 /nfs/dbraw/zinc/66/24/01/952662401.db2.gz NALNPUATSVFWIN-CYBMUJFWSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)c3ccncc3)C2)n1 ZINC001571147522 952662403 /nfs/dbraw/zinc/66/24/03/952662403.db2.gz NALNPUATSVFWIN-CYBMUJFWSA-N -1 1 379.428 0.965 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571147990 952664601 /nfs/dbraw/zinc/66/46/01/952664601.db2.gz SJWDKYRUVHYJOU-TZMCWYRMSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571147990 952664602 /nfs/dbraw/zinc/66/46/02/952664602.db2.gz SJWDKYRUVHYJOU-TZMCWYRMSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571147986 952664685 /nfs/dbraw/zinc/66/46/85/952664685.db2.gz SJWDKYRUVHYJOU-JSGCOSHPSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571147986 952664686 /nfs/dbraw/zinc/66/46/86/952664686.db2.gz SJWDKYRUVHYJOU-JSGCOSHPSA-N -1 1 379.428 0.768 20 0 GCADMM CCc1ccnc(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571148058 952665473 /nfs/dbraw/zinc/66/54/73/952665473.db2.gz UEBQMOHOHDJREG-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM CCc1ccnc(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571148058 952665477 /nfs/dbraw/zinc/66/54/77/952665477.db2.gz UEBQMOHOHDJREG-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)c1ccncc1 ZINC001571148406 952667149 /nfs/dbraw/zinc/66/71/49/952667149.db2.gz YPPBHIMDJKDISH-TZMCWYRMSA-N -1 1 379.428 0.969 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC001571148337 952667779 /nfs/dbraw/zinc/66/77/79/952667779.db2.gz YPPBHIMDJKDISH-JSGCOSHPSA-N -1 1 379.428 0.969 20 0 GCADMM Cc1nsc(N2CCC[C@@H](NC(=O)[C@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571151844 952678957 /nfs/dbraw/zinc/67/89/57/952678957.db2.gz YZCLHJMTLFDLDL-GHMZBOCLSA-N -1 1 379.446 0.132 20 0 GCADMM O=C(Cn1ccnc1)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571152063 952681586 /nfs/dbraw/zinc/68/15/86/952681586.db2.gz CEAXNBUGRNXLHZ-QMMMGPOBSA-N -1 1 379.837 0.886 20 0 GCADMM Cn1nccc1C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571152900 952684078 /nfs/dbraw/zinc/68/40/78/952684078.db2.gz KOXUEVRNZSWAER-UHFFFAOYSA-N -1 1 379.837 0.673 20 0 GCADMM Cn1nccc1C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571152900 952684081 /nfs/dbraw/zinc/68/40/81/952684081.db2.gz KOXUEVRNZSWAER-UHFFFAOYSA-N -1 1 379.837 0.673 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571153369 952686107 /nfs/dbraw/zinc/68/61/07/952686107.db2.gz PWDNMWKGTNYTST-QMMMGPOBSA-N -1 1 379.837 0.637 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571153369 952686111 /nfs/dbraw/zinc/68/61/11/952686111.db2.gz PWDNMWKGTNYTST-QMMMGPOBSA-N -1 1 379.837 0.637 20 0 GCADMM CNC(=O)c1cccc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)n1 ZINC001571153342 952686556 /nfs/dbraw/zinc/68/65/56/952686556.db2.gz OSNFNWKNPMVIDS-UHFFFAOYSA-N -1 1 380.368 0.341 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153954 952688396 /nfs/dbraw/zinc/68/83/96/952688396.db2.gz WYMHGIQBPBDRPP-SSDOTTSWSA-N -1 1 379.837 0.955 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153954 952688399 /nfs/dbraw/zinc/68/83/99/952688399.db2.gz WYMHGIQBPBDRPP-SSDOTTSWSA-N -1 1 379.837 0.955 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571153932 952688443 /nfs/dbraw/zinc/68/84/43/952688443.db2.gz WGMISUHBXSMINJ-MRVPVSSYSA-N -1 1 379.837 0.637 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C)co2)n1 ZINC001571155101 952692327 /nfs/dbraw/zinc/69/23/27/952692327.db2.gz HVYVPGSAYLSUFU-CDMJZVDBSA-N -1 1 380.412 0.985 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C)co2)n1 ZINC001571155101 952692333 /nfs/dbraw/zinc/69/23/33/952692333.db2.gz HVYVPGSAYLSUFU-CDMJZVDBSA-N -1 1 380.412 0.985 20 0 GCADMM C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571155181 952693930 /nfs/dbraw/zinc/69/39/30/952693930.db2.gz JXJMXNOLSXDURT-IUODEOHRSA-N -1 1 380.412 0.995 20 0 GCADMM C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571155181 952693933 /nfs/dbraw/zinc/69/39/33/952693933.db2.gz JXJMXNOLSXDURT-IUODEOHRSA-N -1 1 380.412 0.995 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)Cc3cccnc3)C[C@H]2C)n1 ZINC001571156666 952703360 /nfs/dbraw/zinc/70/33/60/952703360.db2.gz GNCZBVHWAZLMRZ-IAQYHMDHSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)Cc3cccnc3)C[C@H]2C)n1 ZINC001571156666 952703366 /nfs/dbraw/zinc/70/33/66/952703366.db2.gz GNCZBVHWAZLMRZ-IAQYHMDHSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571156675 952704073 /nfs/dbraw/zinc/70/40/73/952704073.db2.gz GVZPPWGKDDIDST-CYBMUJFWSA-N -1 1 379.428 0.807 20 0 GCADMM Cc1cnc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1C ZINC001571156792 952704744 /nfs/dbraw/zinc/70/47/44/952704744.db2.gz JOAQIIFOBTZYOD-ZDUSSCGKSA-N -1 1 379.428 0.807 20 0 GCADMM Cc1ccccc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571158237 952710569 /nfs/dbraw/zinc/71/05/69/952710569.db2.gz FNMDYKGZTYCAKV-ZDUSSCGKSA-N -1 1 380.412 0.918 20 0 GCADMM Cc1ccccc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571158237 952710572 /nfs/dbraw/zinc/71/05/72/952710572.db2.gz FNMDYKGZTYCAKV-ZDUSSCGKSA-N -1 1 380.412 0.918 20 0 GCADMM COc1ccccc1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571158318 952711434 /nfs/dbraw/zinc/71/14/34/952711434.db2.gz HAIVJKWMEBZFBI-CYBMUJFWSA-N -1 1 380.412 0.603 20 0 GCADMM COc1ccccc1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571158318 952711441 /nfs/dbraw/zinc/71/14/41/952711441.db2.gz HAIVJKWMEBZFBI-CYBMUJFWSA-N -1 1 380.412 0.603 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)cc1 ZINC001571158505 952712616 /nfs/dbraw/zinc/71/26/16/952712616.db2.gz JYLUJVGBXBRGQK-BXUZGUMPSA-N -1 1 380.412 0.920 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)oc1C ZINC001571159494 952719228 /nfs/dbraw/zinc/71/92/28/952719228.db2.gz WIKFVSFYQYIEPP-XYYAHUGASA-N -1 1 380.412 0.979 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)oc1C ZINC001571159494 952719234 /nfs/dbraw/zinc/71/92/34/952719234.db2.gz WIKFVSFYQYIEPP-XYYAHUGASA-N -1 1 380.412 0.979 20 0 GCADMM COc1ccc(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571159470 952720146 /nfs/dbraw/zinc/72/01/46/952720146.db2.gz VVCCETDOGRRTMJ-UHFFFAOYSA-N -1 1 380.412 0.708 20 0 GCADMM O=C(NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1O ZINC001571161001 952729714 /nfs/dbraw/zinc/72/97/14/952729714.db2.gz OLUCQVWNSWHADE-UHFFFAOYSA-N -1 1 380.412 0.937 20 0 GCADMM O=C(Cc1ccco1)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571161191 952731138 /nfs/dbraw/zinc/73/11/38/952731138.db2.gz QNBSVGGQVJQSOS-ZDUSSCGKSA-N -1 1 380.412 0.968 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571161819 952734929 /nfs/dbraw/zinc/73/49/29/952734929.db2.gz BGFJUWPOJNJNPQ-NEPJUHHUSA-N -1 1 380.416 0.429 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cnc3n2CCC3)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571161869 952734939 /nfs/dbraw/zinc/73/49/39/952734939.db2.gz CSDNRNQVYPZQLL-MNOVXSKESA-N -1 1 380.416 0.197 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)nn1 ZINC001571161860 952735129 /nfs/dbraw/zinc/73/51/29/952735129.db2.gz CJPDRRAWOFMEFI-LBPRGKRZSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)nn1 ZINC001571161860 952735134 /nfs/dbraw/zinc/73/51/34/952735134.db2.gz CJPDRRAWOFMEFI-LBPRGKRZSA-N -1 1 380.416 0.544 20 0 GCADMM CC[C@H]1CN(C(=O)c2cncnc2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571161878 952735612 /nfs/dbraw/zinc/73/56/12/952735612.db2.gz DEIASNZHZQHDNT-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@H]1CN(C(=O)c2cncnc2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571161878 952735616 /nfs/dbraw/zinc/73/56/16/952735616.db2.gz DEIASNZHZQHDNT-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571161837 952735666 /nfs/dbraw/zinc/73/56/66/952735666.db2.gz BSMBVIKVOOFIQF-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571161837 952735670 /nfs/dbraw/zinc/73/56/70/952735670.db2.gz BSMBVIKVOOFIQF-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccnc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571161911 952736182 /nfs/dbraw/zinc/73/61/82/952736182.db2.gz DURVCUQCYVZJAM-VXGBXAGGSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ccnc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571161911 952736185 /nfs/dbraw/zinc/73/61/85/952736185.db2.gz DURVCUQCYVZJAM-VXGBXAGGSA-N -1 1 380.416 0.718 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cncnc2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571161881 952736449 /nfs/dbraw/zinc/73/64/49/952736449.db2.gz DEIASNZHZQHDNT-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cncnc2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571161881 952736453 /nfs/dbraw/zinc/73/64/53/952736453.db2.gz DEIASNZHZQHDNT-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)c3cccnn3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571161933 952736551 /nfs/dbraw/zinc/73/65/51/952736551.db2.gz FPNLLZYPYHBBBF-ZWNOBZJWSA-N -1 1 380.416 0.582 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)c3cccnn3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571161933 952736555 /nfs/dbraw/zinc/73/65/55/952736555.db2.gz FPNLLZYPYHBBBF-ZWNOBZJWSA-N -1 1 380.416 0.582 20 0 GCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571161914 952736580 /nfs/dbraw/zinc/73/65/80/952736580.db2.gz DXESBALNKZRRNV-RYUDHWBXSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571161914 952736582 /nfs/dbraw/zinc/73/65/82/952736582.db2.gz DXESBALNKZRRNV-RYUDHWBXSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571161897 952736702 /nfs/dbraw/zinc/73/67/02/952736702.db2.gz DOJQJHWCRWLMKH-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571161897 952736705 /nfs/dbraw/zinc/73/67/05/952736705.db2.gz DOJQJHWCRWLMKH-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cncnc2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571161879 952736753 /nfs/dbraw/zinc/73/67/53/952736753.db2.gz DEIASNZHZQHDNT-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cncnc2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571161879 952736754 /nfs/dbraw/zinc/73/67/54/952736754.db2.gz DEIASNZHZQHDNT-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571161981 952737068 /nfs/dbraw/zinc/73/70/68/952737068.db2.gz GWLZINXOLRKYCM-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571161981 952737075 /nfs/dbraw/zinc/73/70/75/952737075.db2.gz GWLZINXOLRKYCM-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571161978 952737226 /nfs/dbraw/zinc/73/72/26/952737226.db2.gz GWLZINXOLRKYCM-NEPJUHHUSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571161978 952737230 /nfs/dbraw/zinc/73/72/30/952737230.db2.gz GWLZINXOLRKYCM-NEPJUHHUSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571161962 952737237 /nfs/dbraw/zinc/73/72/37/952737237.db2.gz GLADIZRNWITXMQ-AAEUAGOBSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571161962 952737242 /nfs/dbraw/zinc/73/72/42/952737242.db2.gz GLADIZRNWITXMQ-AAEUAGOBSA-N -1 1 380.416 0.542 20 0 GCADMM CN(C)c1ncccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571162030 952737439 /nfs/dbraw/zinc/73/74/39/952737439.db2.gz IFSBWWDGENUKCS-LLVKDONJSA-N -1 1 380.416 0.126 20 0 GCADMM CN(C)c1ncccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571162030 952737445 /nfs/dbraw/zinc/73/74/45/952737445.db2.gz IFSBWWDGENUKCS-LLVKDONJSA-N -1 1 380.416 0.126 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571162039 952738304 /nfs/dbraw/zinc/73/83/04/952738304.db2.gz INFIGWSDMUYGMF-YABSGUDNSA-N -1 1 380.416 0.046 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571162039 952738307 /nfs/dbraw/zinc/73/83/07/952738307.db2.gz INFIGWSDMUYGMF-YABSGUDNSA-N -1 1 380.416 0.046 20 0 GCADMM CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)cn1 ZINC001571162082 952738417 /nfs/dbraw/zinc/73/84/17/952738417.db2.gz JLFVOYBRQNTSRJ-STQMWFEESA-N -1 1 380.416 0.367 20 0 GCADMM CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)cn1 ZINC001571162082 952738422 /nfs/dbraw/zinc/73/84/22/952738422.db2.gz JLFVOYBRQNTSRJ-STQMWFEESA-N -1 1 380.416 0.367 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571162040 952738496 /nfs/dbraw/zinc/73/84/96/952738496.db2.gz IPWJVQZUFFRBII-DGCLKSJQSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571162040 952738502 /nfs/dbraw/zinc/73/85/02/952738502.db2.gz IPWJVQZUFFRBII-DGCLKSJQSA-N -1 1 380.416 0.338 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)ncn1 ZINC001571162092 952738767 /nfs/dbraw/zinc/73/87/67/952738767.db2.gz JTIOHOWNYOJLMQ-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)ncn1 ZINC001571162092 952738771 /nfs/dbraw/zinc/73/87/71/952738771.db2.gz JTIOHOWNYOJLMQ-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM C[C@@H](NC(=O)c1ccncn1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571162081 952738890 /nfs/dbraw/zinc/73/88/90/952738890.db2.gz JKMIVWWEWMRTSX-LLVKDONJSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@@H](NC(=O)c1ccncn1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571162081 952738894 /nfs/dbraw/zinc/73/88/94/952738894.db2.gz JKMIVWWEWMRTSX-LLVKDONJSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3cnccn3)C[C@@H]2C)n1 ZINC001571162196 952740019 /nfs/dbraw/zinc/74/00/19/952740019.db2.gz NOQUPVVGBGJVJN-JQWIXIFHSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3cnccn3)C[C@@H]2C)n1 ZINC001571162196 952740022 /nfs/dbraw/zinc/74/00/22/952740022.db2.gz NOQUPVVGBGJVJN-JQWIXIFHSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CNC(=O)c2ccnc(C)n2)n1 ZINC001571162200 952740890 /nfs/dbraw/zinc/74/08/90/952740890.db2.gz NQVMTXYTEZKKNS-LBPRGKRZSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CNC(=O)c2ccnc(C)n2)n1 ZINC001571162200 952740894 /nfs/dbraw/zinc/74/08/94/952740894.db2.gz NQVMTXYTEZKKNS-LBPRGKRZSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571162221 952740953 /nfs/dbraw/zinc/74/09/53/952740953.db2.gz OBKGDIRYLCOENG-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571162221 952740959 /nfs/dbraw/zinc/74/09/59/952740959.db2.gz OBKGDIRYLCOENG-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571162232 952740986 /nfs/dbraw/zinc/74/09/86/952740986.db2.gz OFVDGFVOMSHUPS-RNCFNFMXSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571162232 952740990 /nfs/dbraw/zinc/74/09/90/952740990.db2.gz OFVDGFVOMSHUPS-RNCFNFMXSA-N -1 1 380.416 0.636 20 0 GCADMM CN(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)ccn1 ZINC001571162229 952741078 /nfs/dbraw/zinc/74/10/78/952741078.db2.gz OFNFNCMQAWRVIP-HAQNSBGRSA-N -1 1 380.416 0.491 20 0 GCADMM CN(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)ccn1 ZINC001571162229 952741084 /nfs/dbraw/zinc/74/10/84/952741084.db2.gz OFNFNCMQAWRVIP-HAQNSBGRSA-N -1 1 380.416 0.491 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571162231 952741181 /nfs/dbraw/zinc/74/11/81/952741181.db2.gz OFVDGFVOMSHUPS-NOZJJQNGSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571162231 952741185 /nfs/dbraw/zinc/74/11/85/952741185.db2.gz OFVDGFVOMSHUPS-NOZJJQNGSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)ncn1 ZINC001571162358 952741759 /nfs/dbraw/zinc/74/17/59/952741759.db2.gz RQLYRLKYBFKZTJ-LBPRGKRZSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)ncn1 ZINC001571162358 952741761 /nfs/dbraw/zinc/74/17/61/952741761.db2.gz RQLYRLKYBFKZTJ-LBPRGKRZSA-N -1 1 380.416 0.544 20 0 GCADMM C[C@]1(NC(=O)c2cnn3c2CCC3)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162287 952741858 /nfs/dbraw/zinc/74/18/58/952741858.db2.gz PQEMDOFTCLTXAK-KRWDZBQOSA-N -1 1 380.416 0.198 20 0 GCADMM C[C@]1(NC(=O)c2cnn3c2CCC3)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162287 952741860 /nfs/dbraw/zinc/74/18/60/952741860.db2.gz PQEMDOFTCLTXAK-KRWDZBQOSA-N -1 1 380.416 0.198 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)CCc2cnccn2)C1 ZINC001571162353 952742111 /nfs/dbraw/zinc/74/21/11/952742111.db2.gz RHFZBSMIVJHQPA-CYBMUJFWSA-N -1 1 380.416 0.117 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571162340 952742280 /nfs/dbraw/zinc/74/22/80/952742280.db2.gz QYSMSLIXENLMPR-UHFFFAOYSA-N -1 1 380.416 0.533 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571162340 952742286 /nfs/dbraw/zinc/74/22/86/952742286.db2.gz QYSMSLIXENLMPR-UHFFFAOYSA-N -1 1 380.416 0.533 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571162416 952742725 /nfs/dbraw/zinc/74/27/25/952742725.db2.gz TVXWSFFWYXVPLI-DIFFPNOSSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571162416 952742732 /nfs/dbraw/zinc/74/27/32/952742732.db2.gz TVXWSFFWYXVPLI-DIFFPNOSSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1n[nH]cc1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001571162393 952742793 /nfs/dbraw/zinc/74/27/93/952742793.db2.gz SQYCFTZTDKZPDU-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1n[nH]cc1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001571162393 952742801 /nfs/dbraw/zinc/74/28/01/952742801.db2.gz SQYCFTZTDKZPDU-UHFFFAOYSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cnn1 ZINC001571162690 952744784 /nfs/dbraw/zinc/74/47/84/952744784.db2.gz XWYBRQAOALHIFC-DGCLKSJQSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cnn1 ZINC001571162690 952744790 /nfs/dbraw/zinc/74/47/90/952744790.db2.gz XWYBRQAOALHIFC-DGCLKSJQSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)nn1 ZINC001571162684 952745432 /nfs/dbraw/zinc/74/54/32/952745432.db2.gz XVIZMLBAFFRGBA-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)nn1 ZINC001571162684 952745435 /nfs/dbraw/zinc/74/54/35/952745435.db2.gz XVIZMLBAFFRGBA-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162711 952746306 /nfs/dbraw/zinc/74/63/06/952746306.db2.gz YCNLVEJVUGMNEA-AAEUAGOBSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)[nH]1 ZINC001571165003 952746542 /nfs/dbraw/zinc/74/65/42/952746542.db2.gz AQNKPBJOZDBVAH-NWDGAFQWSA-N -1 1 380.416 0.263 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571165199 952747995 /nfs/dbraw/zinc/74/79/95/952747995.db2.gz FTAPYKFNMAWWJE-MDZLAQPJSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571165199 952747998 /nfs/dbraw/zinc/74/79/98/952747998.db2.gz FTAPYKFNMAWWJE-MDZLAQPJSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571165207 952748048 /nfs/dbraw/zinc/74/80/48/952748048.db2.gz GCMPSTQWAMESNL-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571165207 952748051 /nfs/dbraw/zinc/74/80/51/952748051.db2.gz GCMPSTQWAMESNL-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM O=C([C@@H]1CCc2c[nH]nc2C1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165215 952748563 /nfs/dbraw/zinc/74/85/63/952748563.db2.gz GHGAEODAHFWNCC-PWSUYJOCSA-N -1 1 380.416 0.198 20 0 GCADMM O=C([C@@H]1CCc2c[nH]nc2C1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165215 952748568 /nfs/dbraw/zinc/74/85/68/952748568.db2.gz GHGAEODAHFWNCC-PWSUYJOCSA-N -1 1 380.416 0.198 20 0 GCADMM Cn1ncc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1C1CC1 ZINC001571165246 952749766 /nfs/dbraw/zinc/74/97/66/952749766.db2.gz GYFOMPSQPRWJCS-PHIMTYICSA-N -1 1 380.416 0.641 20 0 GCADMM Cn1ncc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1C1CC1 ZINC001571165246 952749772 /nfs/dbraw/zinc/74/97/72/952749772.db2.gz GYFOMPSQPRWJCS-PHIMTYICSA-N -1 1 380.416 0.641 20 0 GCADMM Cc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571165511 952751708 /nfs/dbraw/zinc/75/17/08/952751708.db2.gz IRPRMJHVUWGHGR-NEPJUHHUSA-N -1 1 380.416 0.572 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165513 952752239 /nfs/dbraw/zinc/75/22/39/952752239.db2.gz ITGUQJVKFHNFOL-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165513 952752243 /nfs/dbraw/zinc/75/22/43/952752243.db2.gz ITGUQJVKFHNFOL-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1ncc(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c(C)n1 ZINC001571165504 952752550 /nfs/dbraw/zinc/75/25/50/952752550.db2.gz INHWIKBMGQMKBH-GFCCVEGCSA-N -1 1 380.416 0.414 20 0 GCADMM Cc1ncc(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c(C)n1 ZINC001571165504 952752555 /nfs/dbraw/zinc/75/25/55/952752555.db2.gz INHWIKBMGQMKBH-GFCCVEGCSA-N -1 1 380.416 0.414 20 0 GCADMM O=C(CCc1cncnc1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165518 952752604 /nfs/dbraw/zinc/75/26/04/952752604.db2.gz IXJOFGRCHTYVRB-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cncnc1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165518 952752609 /nfs/dbraw/zinc/75/26/09/952752609.db2.gz IXJOFGRCHTYVRB-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1ncncc1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571165759 952754732 /nfs/dbraw/zinc/75/47/32/952754732.db2.gz JTJBDPCRPRQHAA-UHFFFAOYSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1ncncc1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571165759 952754741 /nfs/dbraw/zinc/75/47/41/952754741.db2.gz JTJBDPCRPRQHAA-UHFFFAOYSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC001571165829 952756011 /nfs/dbraw/zinc/75/60/11/952756011.db2.gz LSIOAGJPIIEPQE-NWDGAFQWSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC001571165829 952756015 /nfs/dbraw/zinc/75/60/15/952756015.db2.gz LSIOAGJPIIEPQE-NWDGAFQWSA-N -1 1 380.416 0.860 20 0 GCADMM O=C(CCc1cncnc1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165993 952756983 /nfs/dbraw/zinc/75/69/83/952756983.db2.gz MKMLFKRDZNKPHZ-CYBMUJFWSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(CCc1cncnc1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165993 952756993 /nfs/dbraw/zinc/75/69/93/952756993.db2.gz MKMLFKRDZNKPHZ-CYBMUJFWSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166016 952757222 /nfs/dbraw/zinc/75/72/22/952757222.db2.gz MMLNROVJWLCGQU-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166016 952757224 /nfs/dbraw/zinc/75/72/24/952757224.db2.gz MMLNROVJWLCGQU-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166012 952757283 /nfs/dbraw/zinc/75/72/83/952757283.db2.gz MMLNROVJWLCGQU-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166012 952757286 /nfs/dbraw/zinc/75/72/86/952757286.db2.gz MMLNROVJWLCGQU-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166095 952758082 /nfs/dbraw/zinc/75/80/82/952758082.db2.gz NLFFQVDZSKMDQF-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166095 952758086 /nfs/dbraw/zinc/75/80/86/952758086.db2.gz NLFFQVDZSKMDQF-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571166162 952758253 /nfs/dbraw/zinc/75/82/53/952758253.db2.gz PDYSXPLOUPTGGY-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571166162 952758261 /nfs/dbraw/zinc/75/82/61/952758261.db2.gz PDYSXPLOUPTGGY-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM O=C(c1cn[nH]c1)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571166760 952764629 /nfs/dbraw/zinc/76/46/29/952764629.db2.gz VKXPOLBSQDMILD-QGZVFWFLSA-N -1 1 380.416 0.513 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC001571166713 952764794 /nfs/dbraw/zinc/76/47/94/952764794.db2.gz OOMWJFYAVMVJOM-UHFFFAOYSA-N -1 1 380.430 0.363 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001571166972 952767413 /nfs/dbraw/zinc/76/74/13/952767413.db2.gz ZSGHGKQOTFAJBB-OLZOCXBDSA-N -1 1 380.416 0.543 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166972 952767416 /nfs/dbraw/zinc/76/74/16/952767416.db2.gz ZSGHGKQOTFAJBB-OLZOCXBDSA-N -1 1 380.416 0.543 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166944 952767827 /nfs/dbraw/zinc/76/78/27/952767827.db2.gz YXHKPYVUYCRSEB-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166944 952767831 /nfs/dbraw/zinc/76/78/31/952767831.db2.gz YXHKPYVUYCRSEB-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cn1cncc1C(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001571166971 952767959 /nfs/dbraw/zinc/76/79/59/952767959.db2.gz ZSGHGKQOTFAJBB-CHWSQXEVSA-N -1 1 380.416 0.543 20 0 GCADMM Cn1cncc1C(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166971 952767960 /nfs/dbraw/zinc/76/79/60/952767960.db2.gz ZSGHGKQOTFAJBB-CHWSQXEVSA-N -1 1 380.416 0.543 20 0 GCADMM CN(CCc1cccc(-c2nn[nH]n2)c1)C(=O)CNC(=O)c1ncccc1[O-] ZINC001571170370 952784865 /nfs/dbraw/zinc/78/48/65/952784865.db2.gz HRXJVTFQNPYKLK-UHFFFAOYSA-N -1 1 381.396 0.398 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCN(C(=O)c4cocn4)[C@@H]3C2)n1 ZINC001571170402 952785816 /nfs/dbraw/zinc/78/58/16/952785816.db2.gz ITLAPXOGHGPOIZ-GXFFZTMASA-N -1 1 381.400 0.558 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCN(C(=O)c4cocn4)[C@@H]3C2)n1 ZINC001571170402 952785820 /nfs/dbraw/zinc/78/58/20/952785820.db2.gz ITLAPXOGHGPOIZ-GXFFZTMASA-N -1 1 381.400 0.558 20 0 GCADMM C[C@]1(NC(=O)c2coc(C3CC3)n2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571170427 952786111 /nfs/dbraw/zinc/78/61/11/952786111.db2.gz JPRDNWFELAEMDX-KRWDZBQOSA-N -1 1 381.400 0.921 20 0 GCADMM C[C@]1(NC(=O)c2coc(C3CC3)n2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571170427 952786115 /nfs/dbraw/zinc/78/61/15/952786115.db2.gz JPRDNWFELAEMDX-KRWDZBQOSA-N -1 1 381.400 0.921 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571170835 952789410 /nfs/dbraw/zinc/78/94/10/952789410.db2.gz MGCBWAVHQQGUSU-XYPYZODXSA-N -1 1 381.400 0.693 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571170835 952789416 /nfs/dbraw/zinc/78/94/16/952789416.db2.gz MGCBWAVHQQGUSU-XYPYZODXSA-N -1 1 381.400 0.693 20 0 GCADMM COC(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)[C@H]2C[C@H]21 ZINC001571170830 952789754 /nfs/dbraw/zinc/78/97/54/952789754.db2.gz MAWIFPSUKPIYES-XZUYRWCXSA-N -1 1 381.389 0.482 20 0 GCADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1nc[nH]n1 ZINC001571171515 952793742 /nfs/dbraw/zinc/79/37/42/952793742.db2.gz BHPMLCOURXJEST-NTSWFWBYSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1nc[nH]n1 ZINC001571171515 952793746 /nfs/dbraw/zinc/79/37/46/952793746.db2.gz BHPMLCOURXJEST-NTSWFWBYSA-N -1 1 380.825 0.810 20 0 GCADMM CC1(C)CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cnc(-c2nn[nH]n2)cn1 ZINC001571171596 952795223 /nfs/dbraw/zinc/79/52/23/952795223.db2.gz SWCSEZMXVHVINJ-GFCCVEGCSA-N -1 1 381.400 0.720 20 0 GCADMM CC1(C)CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171661 952795828 /nfs/dbraw/zinc/79/58/28/952795828.db2.gz VMLDAIDKNJOOSW-LLVKDONJSA-N -1 1 381.400 0.720 20 0 GCADMM CC1(C)CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571171661 952795829 /nfs/dbraw/zinc/79/58/29/952795829.db2.gz VMLDAIDKNJOOSW-LLVKDONJSA-N -1 1 381.400 0.720 20 0 GCADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571171766 952796696 /nfs/dbraw/zinc/79/66/96/952796696.db2.gz GFHCGMDCJRJTLF-SEBNEYGDSA-N -1 1 380.456 0.988 20 0 GCADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571171766 952796703 /nfs/dbraw/zinc/79/67/03/952796703.db2.gz GFHCGMDCJRJTLF-SEBNEYGDSA-N -1 1 380.456 0.988 20 0 GCADMM O=C([C@H]1CC12CC2)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571172063 952801763 /nfs/dbraw/zinc/80/17/63/952801763.db2.gz LKFGUMBGPIPKBZ-QUJCMNEKSA-N -1 1 380.456 0.919 20 0 GCADMM Cc1cc(C(=O)N[C@@]23CCC[C@@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)no1 ZINC001571174617 952811020 /nfs/dbraw/zinc/81/10/20/952811020.db2.gz CAFJOXMLZXKSHH-YVEFUNNKSA-N -1 1 381.400 0.885 20 0 GCADMM Cc1cc(C)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(=O)[nH]1 ZINC001571174637 952811188 /nfs/dbraw/zinc/81/11/88/952811188.db2.gz CLRXSTJGMCZZHV-NSHDSACASA-N -1 1 381.400 0.123 20 0 GCADMM COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571174650 952811411 /nfs/dbraw/zinc/81/14/11/952811411.db2.gz DHZLDKIDFWUCCB-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571174650 952811416 /nfs/dbraw/zinc/81/14/16/952811416.db2.gz DHZLDKIDFWUCCB-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nn2)CC3)no1 ZINC001571174634 952811798 /nfs/dbraw/zinc/81/17/98/952811798.db2.gz CIOHOCLIKKZINX-ZDUSSCGKSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nn2)CC3)no1 ZINC001571174634 952811806 /nfs/dbraw/zinc/81/18/06/952811806.db2.gz CIOHOCLIKKZINX-ZDUSSCGKSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(=O)[nH]1 ZINC001571174700 952813263 /nfs/dbraw/zinc/81/32/63/952813263.db2.gz FQVFTHRJTAPWQQ-LLVKDONJSA-N -1 1 381.400 0.701 20 0 GCADMM Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(=O)[nH]1 ZINC001571174700 952813266 /nfs/dbraw/zinc/81/32/66/952813266.db2.gz FQVFTHRJTAPWQQ-LLVKDONJSA-N -1 1 381.400 0.701 20 0 GCADMM Cc1conc1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571174741 952813785 /nfs/dbraw/zinc/81/37/85/952813785.db2.gz GXHIJZAQBYLMEN-CNDDSTCGSA-N -1 1 381.400 0.374 20 0 GCADMM Cc1conc1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571174741 952813790 /nfs/dbraw/zinc/81/37/90/952813790.db2.gz GXHIJZAQBYLMEN-CNDDSTCGSA-N -1 1 381.400 0.374 20 0 GCADMM COc1cccnc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571174806 952813950 /nfs/dbraw/zinc/81/39/50/952813950.db2.gz IQODCRKLJPPCDA-MNOVXSKESA-N -1 1 381.400 0.458 20 0 GCADMM COc1cccnc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571174806 952813956 /nfs/dbraw/zinc/81/39/56/952813956.db2.gz IQODCRKLJPPCDA-MNOVXSKESA-N -1 1 381.400 0.458 20 0 GCADMM COc1ncccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174876 952816370 /nfs/dbraw/zinc/81/63/70/952816370.db2.gz LGZPXHHVSWHGDA-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)n1 ZINC001571174841 952816387 /nfs/dbraw/zinc/81/63/87/952816387.db2.gz JXLWFMYWWZIXKX-MNOVXSKESA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)n1 ZINC001571174841 952816390 /nfs/dbraw/zinc/81/63/90/952816390.db2.gz JXLWFMYWWZIXKX-MNOVXSKESA-N -1 1 381.400 0.775 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)no1 ZINC001571175114 952817793 /nfs/dbraw/zinc/81/77/93/952817793.db2.gz PSTLFANDSLTUBK-CHWSQXEVSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)no1 ZINC001571175114 952817798 /nfs/dbraw/zinc/81/77/98/952817798.db2.gz PSTLFANDSLTUBK-CHWSQXEVSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)no1 ZINC001571175116 952818136 /nfs/dbraw/zinc/81/81/36/952818136.db2.gz PSTLFANDSLTUBK-QWHCGFSZSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)no1 ZINC001571175116 952818143 /nfs/dbraw/zinc/81/81/43/952818143.db2.gz PSTLFANDSLTUBK-QWHCGFSZSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(=O)c(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1C ZINC001571175134 952818254 /nfs/dbraw/zinc/81/82/54/952818254.db2.gz QJFSXIVCRAHUDR-PHIMTYICSA-N -1 1 381.400 0.037 20 0 GCADMM Cc1cc(=O)c(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1C ZINC001571175134 952818255 /nfs/dbraw/zinc/81/82/55/952818255.db2.gz QJFSXIVCRAHUDR-PHIMTYICSA-N -1 1 381.400 0.037 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001571175281 952819111 /nfs/dbraw/zinc/81/91/11/952819111.db2.gz ROUWAZVDGYJRBJ-BXKDBHETSA-N -1 1 381.400 0.777 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1coc(C2CC2)n1 ZINC001571175281 952819116 /nfs/dbraw/zinc/81/91/16/952819116.db2.gz ROUWAZVDGYJRBJ-BXKDBHETSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571175303 952819313 /nfs/dbraw/zinc/81/93/13/952819313.db2.gz RXARVGNWHKYVLJ-ZWNOBZJWSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571175303 952819322 /nfs/dbraw/zinc/81/93/22/952819322.db2.gz RXARVGNWHKYVLJ-ZWNOBZJWSA-N -1 1 381.400 0.633 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1ccon1 ZINC001571175351 952820382 /nfs/dbraw/zinc/82/03/82/952820382.db2.gz BDFGDHWHGXGNPS-QJPTWQEYSA-N -1 1 381.400 0.680 20 0 GCADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(=O)[nH]1 ZINC001571175361 952820399 /nfs/dbraw/zinc/82/03/99/952820399.db2.gz UGGOVLHLXBKTGZ-XYPYZODXSA-N -1 1 381.400 0.686 20 0 GCADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(=O)[nH]1 ZINC001571175361 952820402 /nfs/dbraw/zinc/82/04/02/952820402.db2.gz UGGOVLHLXBKTGZ-XYPYZODXSA-N -1 1 381.400 0.686 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ocnc1C1CC1 ZINC001571175414 952821030 /nfs/dbraw/zinc/82/10/30/952821030.db2.gz CDGXDQSZISOXBF-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ocnc1C1CC1 ZINC001571175414 952821035 /nfs/dbraw/zinc/82/10/35/952821035.db2.gz CDGXDQSZISOXBF-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM C[C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571175588 952822448 /nfs/dbraw/zinc/82/24/48/952822448.db2.gz VWSSMPTXPPPAGB-MWLCHTKSSA-N -1 1 381.400 0.517 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(=O)[nH]c1 ZINC001571175667 952823124 /nfs/dbraw/zinc/82/31/24/952823124.db2.gz DPSHEAUPBUXPES-CMPLNLGQSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(=O)[nH]c1 ZINC001571175667 952823130 /nfs/dbraw/zinc/82/31/30/952823130.db2.gz DPSHEAUPBUXPES-CMPLNLGQSA-N -1 1 381.400 0.768 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)o1 ZINC001571175707 952824623 /nfs/dbraw/zinc/82/46/23/952824623.db2.gz FPHRXNSMVZLMNP-MDZLAQPJSA-N -1 1 381.400 0.801 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)o1 ZINC001571175707 952824630 /nfs/dbraw/zinc/82/46/30/952824630.db2.gz FPHRXNSMVZLMNP-MDZLAQPJSA-N -1 1 381.400 0.801 20 0 GCADMM Cc1cc(C2(C(=O)N3CC[C@@H](Nc4cnc(-c5nnn[n-]5)cn4)C3)CC2)on1 ZINC001571175733 952824992 /nfs/dbraw/zinc/82/49/92/952824992.db2.gz YIDKDCRKEIRMKK-LLVKDONJSA-N -1 1 381.400 0.698 20 0 GCADMM Cc1cc(C2(C(=O)N3CC[C@@H](Nc4cnc(-c5nn[n-]n5)cn4)C3)CC2)on1 ZINC001571175733 952824997 /nfs/dbraw/zinc/82/49/97/952824997.db2.gz YIDKDCRKEIRMKK-LLVKDONJSA-N -1 1 381.400 0.698 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3ccncc3)CCO2)n1 ZINC001571175731 952825052 /nfs/dbraw/zinc/82/50/52/952825052.db2.gz YHWHTIRHAFCPMY-ZDUSSCGKSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3ccncc3)CCO2)n1 ZINC001571175731 952825055 /nfs/dbraw/zinc/82/50/55/952825055.db2.gz YHWHTIRHAFCPMY-ZDUSSCGKSA-N -1 1 381.400 0.313 20 0 GCADMM O=C(CCc1ccc(=O)[nH]c1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571175719 952825148 /nfs/dbraw/zinc/82/51/48/952825148.db2.gz GDFLAFMYINAVNV-LBPRGKRZSA-N -1 1 381.400 0.403 20 0 GCADMM O=C(CCc1ccc(=O)[nH]c1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571175719 952825157 /nfs/dbraw/zinc/82/51/57/952825157.db2.gz GDFLAFMYINAVNV-LBPRGKRZSA-N -1 1 381.400 0.403 20 0 GCADMM COc1cccnc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571175785 952825964 /nfs/dbraw/zinc/82/59/64/952825964.db2.gz ZZJDFNNXGJOZQL-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccnc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571175785 952825970 /nfs/dbraw/zinc/82/59/70/952825970.db2.gz ZZJDFNNXGJOZQL-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1coc(C2CC2)n1 ZINC001571175890 952826477 /nfs/dbraw/zinc/82/64/77/952826477.db2.gz HCSSFAWUEHZGBX-HOMQSWHASA-N -1 1 381.400 0.565 20 0 GCADMM Cc1ncoc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571176185 952829422 /nfs/dbraw/zinc/82/94/22/952829422.db2.gz NURLFDUGJUNTMU-TXEJJXNPSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1ncoc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571176185 952829425 /nfs/dbraw/zinc/82/94/25/952829425.db2.gz NURLFDUGJUNTMU-TXEJJXNPSA-N -1 1 381.400 0.837 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1)c1ncccc1[O-] ZINC001571176149 952829677 /nfs/dbraw/zinc/82/96/77/952829677.db2.gz MSTBBXXUILJDBJ-GHMZBOCLSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1cc[nH]c(=O)c1 ZINC001571176178 952829795 /nfs/dbraw/zinc/82/97/95/952829795.db2.gz NQXQCRYJSGWRET-GFCCVEGCSA-N -1 1 381.400 0.546 20 0 GCADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1cc[nH]c(=O)c1 ZINC001571176178 952829801 /nfs/dbraw/zinc/82/98/01/952829801.db2.gz NQXQCRYJSGWRET-GFCCVEGCSA-N -1 1 381.400 0.546 20 0 GCADMM Cc1nc(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[n-]n4)n2)C3)co1 ZINC001571176302 952830291 /nfs/dbraw/zinc/83/02/91/952830291.db2.gz ONYGKBVRWFMEOU-UHFFFAOYSA-N -1 1 381.400 0.528 20 0 GCADMM Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571176587 952832860 /nfs/dbraw/zinc/83/28/60/952832860.db2.gz VIUJXAZFGVRWIK-WXHSDQCUSA-N -1 1 381.400 0.801 20 0 GCADMM Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571176587 952832866 /nfs/dbraw/zinc/83/28/66/952832866.db2.gz VIUJXAZFGVRWIK-WXHSDQCUSA-N -1 1 381.400 0.801 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571176602 952833315 /nfs/dbraw/zinc/83/33/15/952833315.db2.gz VRZHKDZTMGITES-OLZOCXBDSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571176602 952833321 /nfs/dbraw/zinc/83/33/21/952833321.db2.gz VRZHKDZTMGITES-OLZOCXBDSA-N -1 1 381.400 0.837 20 0 GCADMM O=C(c1ccccn1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178348 952838821 /nfs/dbraw/zinc/83/88/21/952838821.db2.gz GHLLKIPLISDTAH-LBPRGKRZSA-N -1 1 381.400 0.395 20 0 GCADMM O=C(c1ccccn1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178348 952838827 /nfs/dbraw/zinc/83/88/27/952838827.db2.gz GHLLKIPLISDTAH-LBPRGKRZSA-N -1 1 381.400 0.395 20 0 GCADMM O=C(c1ocnc1C1CC1)N1CC[C@H](CN=c2cc[nH]c(-c3nn[n-]n3)n2)C1 ZINC001571178362 952838842 /nfs/dbraw/zinc/83/88/42/952838842.db2.gz GPSXPBSLVUYPER-SNVBAGLBSA-N -1 1 381.400 0.518 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001571178540 952843696 /nfs/dbraw/zinc/84/36/96/952843696.db2.gz MMKRCHFUMPKUEH-DCAQKATOSA-N -1 1 381.414 0.955 20 0 GCADMM CC1(C)CN(C(=O)CCn2cccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571183451 952878958 /nfs/dbraw/zinc/87/89/58/952878958.db2.gz AJPPKTONAIMPJE-CYBMUJFWSA-N -1 1 381.444 0.619 20 0 GCADMM CCc1c(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)ccn1C ZINC001571183748 952881888 /nfs/dbraw/zinc/88/18/88/952881888.db2.gz IOFOYKMGUOMSKD-VXGBXAGGSA-N -1 1 381.444 0.695 20 0 GCADMM CCc1c(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)ccn1C ZINC001571183907 952884992 /nfs/dbraw/zinc/88/49/92/952884992.db2.gz MQCCKMQCDVBTHM-LBPRGKRZSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1c(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)ccn1C ZINC001571183907 952884997 /nfs/dbraw/zinc/88/49/97/952884997.db2.gz MQCCKMQCDVBTHM-LBPRGKRZSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1c(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)ccn1C ZINC001571184328 952892111 /nfs/dbraw/zinc/89/21/11/952892111.db2.gz WEVUXOSBUVYJHK-GFCCVEGCSA-N -1 1 381.444 0.909 20 0 GCADMM CCc1c(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)ccn1C ZINC001571184328 952892115 /nfs/dbraw/zinc/89/21/15/952892115.db2.gz WEVUXOSBUVYJHK-GFCCVEGCSA-N -1 1 381.444 0.909 20 0 GCADMM Cc1c(C(=O)N[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)ccn1C ZINC001571185295 952901221 /nfs/dbraw/zinc/90/12/21/952901221.db2.gz KKSCGEZLDWTKQH-AWEZNQCLSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1c(C(=O)N[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)ccn1C ZINC001571185295 952901223 /nfs/dbraw/zinc/90/12/23/952901223.db2.gz KKSCGEZLDWTKQH-AWEZNQCLSA-N -1 1 381.444 0.948 20 0 GCADMM C[C@@H](CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001571188490 952916191 /nfs/dbraw/zinc/91/61/91/952916191.db2.gz BUWSYIRUMDZKTG-JTQLQIEISA-N -1 1 381.462 0.287 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)n1C ZINC001571189089 952924008 /nfs/dbraw/zinc/92/40/08/952924008.db2.gz RTXMKGVOCHIRBG-AWEZNQCLSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)n1C ZINC001571189089 952924011 /nfs/dbraw/zinc/92/40/11/952924011.db2.gz RTXMKGVOCHIRBG-AWEZNQCLSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)n1C ZINC001571189090 952924281 /nfs/dbraw/zinc/92/42/81/952924281.db2.gz RTXMKGVOCHIRBG-CQSZACIVSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)n1C ZINC001571189090 952924288 /nfs/dbraw/zinc/92/42/88/952924288.db2.gz RTXMKGVOCHIRBG-CQSZACIVSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1ccn(C)c1C(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571189309 952927736 /nfs/dbraw/zinc/92/77/36/952927736.db2.gz URZDVWZEOAIPBM-STQMWFEESA-N -1 1 381.444 0.546 20 0 GCADMM COc1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571193740 952951877 /nfs/dbraw/zinc/95/18/77/952951877.db2.gz AUKRCCSONSCOTH-MWLCHTKSSA-N -1 1 382.388 0.028 20 0 GCADMM COc1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571193740 952951879 /nfs/dbraw/zinc/95/18/79/952951879.db2.gz AUKRCCSONSCOTH-MWLCHTKSSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cncc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571194325 952961125 /nfs/dbraw/zinc/96/11/25/952961125.db2.gz MCIMUHJUZJZLOS-MGCOHNPYSA-N -1 1 382.388 0.137 20 0 GCADMM COc1cncc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571194325 952961129 /nfs/dbraw/zinc/96/11/29/952961129.db2.gz MCIMUHJUZJZLOS-MGCOHNPYSA-N -1 1 382.388 0.137 20 0 GCADMM O=C(N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cn[nH]c(=O)c1 ZINC001571194517 952964638 /nfs/dbraw/zinc/96/46/38/952964638.db2.gz NRECJHLZEXHGMT-WDEREUQCSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cn[nH]c(=O)c1 ZINC001571194517 952964641 /nfs/dbraw/zinc/96/46/41/952964641.db2.gz NRECJHLZEXHGMT-WDEREUQCSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cn[nH]c(=O)c1 ZINC001571194512 952964758 /nfs/dbraw/zinc/96/47/58/952964758.db2.gz NRECJHLZEXHGMT-MNOVXSKESA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cn[nH]c(=O)c1 ZINC001571194512 952964764 /nfs/dbraw/zinc/96/47/64/952964764.db2.gz NRECJHLZEXHGMT-MNOVXSKESA-N -1 1 382.388 0.305 20 0 GCADMM COc1cnc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001571194527 952964971 /nfs/dbraw/zinc/96/49/71/952964971.db2.gz NVFJQLJOSSDZEU-UHFFFAOYSA-N -1 1 382.388 0.076 20 0 GCADMM COc1cnc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001571194527 952964974 /nfs/dbraw/zinc/96/49/74/952964974.db2.gz NVFJQLJOSSDZEU-UHFFFAOYSA-N -1 1 382.388 0.076 20 0 GCADMM O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571194610 952965270 /nfs/dbraw/zinc/96/52/70/952965270.db2.gz QEBRFPXUJCGRLX-JTQLQIEISA-N -1 1 382.388 0.117 20 0 GCADMM O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571194610 952965277 /nfs/dbraw/zinc/96/52/77/952965277.db2.gz QEBRFPXUJCGRLX-JTQLQIEISA-N -1 1 382.388 0.117 20 0 GCADMM C[C@@H]1CC(=O)Nc2ccc(C(=O)NCCn3cnc(-c4nn[n-]n4)n3)cc2N1 ZINC001571194723 952967118 /nfs/dbraw/zinc/96/71/18/952967118.db2.gz QONPBMJAPRDPRS-SECBINFHSA-N -1 1 382.388 0.031 20 0 GCADMM C[C@H]1CC(=O)Nc2ccc(C(=O)NCCn3cnc(-c4nn[n-]n4)n3)cc2N1 ZINC001571194724 952967375 /nfs/dbraw/zinc/96/73/75/952967375.db2.gz QONPBMJAPRDPRS-VIFPVBQESA-N -1 1 382.388 0.031 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CN1C(=O)c1ncccc1[O-] ZINC001571194857 952969705 /nfs/dbraw/zinc/96/97/05/952969705.db2.gz TVVFAGWDAKEWTR-NXEZZACHSA-N -1 1 382.384 0.328 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194832 952969887 /nfs/dbraw/zinc/96/98/87/952969887.db2.gz SJODTJJSXBKCPN-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194832 952969889 /nfs/dbraw/zinc/96/98/89/952969889.db2.gz SJODTJJSXBKCPN-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM COc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)nc1 ZINC001571195158 952974553 /nfs/dbraw/zinc/97/45/53/952974553.db2.gz YMDXCOXXGXGGJY-GXSJLCMTSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)nc1 ZINC001571195158 952974557 /nfs/dbraw/zinc/97/45/57/952974557.db2.gz YMDXCOXXGXGGJY-GXSJLCMTSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)ncn1 ZINC001571195182 952974857 /nfs/dbraw/zinc/97/48/57/952974857.db2.gz YXRFNIAUOOGNIN-UWVGGRQHSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)ncn1 ZINC001571195182 952974864 /nfs/dbraw/zinc/97/48/64/952974864.db2.gz YXRFNIAUOOGNIN-UWVGGRQHSA-N -1 1 382.388 0.170 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)n1 ZINC001571195227 952976168 /nfs/dbraw/zinc/97/61/68/952976168.db2.gz ZWRUBWHPMQULIJ-SNVBAGLBSA-N -1 1 382.388 0.177 20 0 GCADMM COc1nccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571195224 952976479 /nfs/dbraw/zinc/97/64/79/952976479.db2.gz ZUFINYJRXRRCTA-MGCOHNPYSA-N -1 1 382.388 0.076 20 0 GCADMM COc1nccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571195224 952976485 /nfs/dbraw/zinc/97/64/85/952976485.db2.gz ZUFINYJRXRRCTA-MGCOHNPYSA-N -1 1 382.388 0.076 20 0 GCADMM O=C(CCc1ccccc1F)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571196947 952985575 /nfs/dbraw/zinc/98/55/75/952985575.db2.gz QPUWOCDCWXWFJM-ZDUSSCGKSA-N -1 1 382.403 0.863 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ccco2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571202518 953026665 /nfs/dbraw/zinc/02/66/65/953026665.db2.gz ZSJSVYFKKBBNJS-STQMWFEESA-N -1 1 382.428 0.811 20 0 GCADMM CCCn1nccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571204564 953029876 /nfs/dbraw/zinc/02/98/76/953029876.db2.gz BEYLDOFRUGCCBJ-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571204579 953030046 /nfs/dbraw/zinc/03/00/46/953030046.db2.gz BGYQRAMTHFCWIA-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001571204557 953030143 /nfs/dbraw/zinc/03/01/43/953030143.db2.gz AZHYSGJTOIFVET-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001571204557 953030148 /nfs/dbraw/zinc/03/01/48/953030148.db2.gz AZHYSGJTOIFVET-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cn3ccnc3)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571204570 953030540 /nfs/dbraw/zinc/03/05/40/953030540.db2.gz BGCPAIGABGPOTD-NWDGAFQWSA-N -1 1 382.432 0.517 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571204603 953031004 /nfs/dbraw/zinc/03/10/04/953031004.db2.gz BLADCBQFIAECGX-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571204603 953031011 /nfs/dbraw/zinc/03/10/11/953031011.db2.gz BLADCBQFIAECGX-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)CCn2cccn2)CC1 ZINC001571204615 953031220 /nfs/dbraw/zinc/03/12/20/953031220.db2.gz BOSOYOANKXEVMD-UHFFFAOYSA-N -1 1 382.432 0.737 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)CCn2cccn2)CC1 ZINC001571204615 953031223 /nfs/dbraw/zinc/03/12/23/953031223.db2.gz BOSOYOANKXEVMD-UHFFFAOYSA-N -1 1 382.432 0.737 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571204618 953031230 /nfs/dbraw/zinc/03/12/30/953031230.db2.gz APUPGCBPLZLAKL-JTQLQIEISA-N -1 1 382.432 0.426 20 0 GCADMM O=C(C1=COCCC1)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571204659 953031301 /nfs/dbraw/zinc/03/13/01/953031301.db2.gz BBXWFZHBMRWIPP-GOSISDBHSA-N -1 1 382.428 0.780 20 0 GCADMM O=C(C1=COCCC1)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571204659 953031306 /nfs/dbraw/zinc/03/13/06/953031306.db2.gz BBXWFZHBMRWIPP-GOSISDBHSA-N -1 1 382.428 0.780 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571204719 953032219 /nfs/dbraw/zinc/03/22/19/953032219.db2.gz CZPIUKRCPYNBKH-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571204719 953032221 /nfs/dbraw/zinc/03/22/21/953032221.db2.gz CZPIUKRCPYNBKH-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)c3cncn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571204850 953032747 /nfs/dbraw/zinc/03/27/47/953032747.db2.gz CXDYOFQORWKXTR-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)c3cncn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571204850 953032750 /nfs/dbraw/zinc/03/27/50/953032750.db2.gz CXDYOFQORWKXTR-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)c3cc(C)n[nH]3)CC2)n1 ZINC001571204825 953033028 /nfs/dbraw/zinc/03/30/28/953033028.db2.gz CEPFJOUWQNASDN-UHFFFAOYSA-N -1 1 382.432 0.649 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)c3cc(C)n[nH]3)CC2)n1 ZINC001571204825 953033032 /nfs/dbraw/zinc/03/30/32/953033032.db2.gz CEPFJOUWQNASDN-UHFFFAOYSA-N -1 1 382.432 0.649 20 0 GCADMM CCN(C(=O)c1cn(C)nc1C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571204844 953033058 /nfs/dbraw/zinc/03/30/58/953033058.db2.gz CVSNKZZQLZEROG-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM CCN(C(=O)c1cn(C)nc1C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571204844 953033066 /nfs/dbraw/zinc/03/30/66/953033066.db2.gz CVSNKZZQLZEROG-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571204712 953033078 /nfs/dbraw/zinc/03/30/78/953033078.db2.gz CQZXNUFPNXTCSF-NSHDSACASA-N -1 1 382.432 0.262 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571204921 953033972 /nfs/dbraw/zinc/03/39/72/953033972.db2.gz FVOCJLPBKGOVBR-LLVKDONJSA-N -1 1 382.432 0.683 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571204921 953033977 /nfs/dbraw/zinc/03/39/77/953033977.db2.gz FVOCJLPBKGOVBR-LLVKDONJSA-N -1 1 382.432 0.683 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001571204905 953034073 /nfs/dbraw/zinc/03/40/73/953034073.db2.gz FMSXQQYIFNNRFC-VXGBXAGGSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001571204905 953034077 /nfs/dbraw/zinc/03/40/77/953034077.db2.gz FMSXQQYIFNNRFC-VXGBXAGGSA-N -1 1 382.432 0.743 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)n1 ZINC001571205153 953035826 /nfs/dbraw/zinc/03/58/26/953035826.db2.gz GNNLBPSFCUPRMO-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)n1 ZINC001571205153 953035830 /nfs/dbraw/zinc/03/58/30/953035830.db2.gz GNNLBPSFCUPRMO-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)c3cnn(C)c3)CC2)n1 ZINC001571205187 953036510 /nfs/dbraw/zinc/03/65/10/953036510.db2.gz HCHTWWFQWHFCHE-UHFFFAOYSA-N -1 1 382.432 0.305 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)c3cnn(C)c3)CC2)n1 ZINC001571205187 953036512 /nfs/dbraw/zinc/03/65/12/953036512.db2.gz HCHTWWFQWHFCHE-UHFFFAOYSA-N -1 1 382.432 0.305 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205201 953037362 /nfs/dbraw/zinc/03/73/62/953037362.db2.gz HIGXPUDMLNJZCF-NSHDSACASA-N -1 1 382.432 0.683 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571205414 953038027 /nfs/dbraw/zinc/03/80/27/953038027.db2.gz JOWUNIOJRZHDEQ-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571205414 953038029 /nfs/dbraw/zinc/03/80/29/953038029.db2.gz JOWUNIOJRZHDEQ-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM O=C(N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)[C@]12C[C@H]1COC2 ZINC001571205382 953038497 /nfs/dbraw/zinc/03/84/97/953038497.db2.gz INYXKFAGMGBOHD-UTDUODGLSA-N -1 1 382.428 0.263 20 0 GCADMM O=C(N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)[C@]12C[C@H]1COC2 ZINC001571205382 953038500 /nfs/dbraw/zinc/03/85/00/953038500.db2.gz INYXKFAGMGBOHD-UTDUODGLSA-N -1 1 382.428 0.263 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001571205591 953039003 /nfs/dbraw/zinc/03/90/03/953039003.db2.gz JWJRPWQAYPJDIU-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001571205591 953039005 /nfs/dbraw/zinc/03/90/05/953039005.db2.gz JWJRPWQAYPJDIU-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571205472 953039159 /nfs/dbraw/zinc/03/91/59/953039159.db2.gz JOMRISXSPMCCAW-DGCLKSJQSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571205472 953039161 /nfs/dbraw/zinc/03/91/61/953039161.db2.gz JOMRISXSPMCCAW-DGCLKSJQSA-N -1 1 382.432 0.660 20 0 GCADMM CCc1cc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571205623 953039948 /nfs/dbraw/zinc/03/99/48/953039948.db2.gz LSOWORXKEOTURX-GFCCVEGCSA-N -1 1 382.432 0.471 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571205669 953040112 /nfs/dbraw/zinc/04/01/12/953040112.db2.gz MTZHTVPGWKXFEN-LLVKDONJSA-N -1 1 382.432 0.209 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n(C)n1 ZINC001571205669 953040116 /nfs/dbraw/zinc/04/01/16/953040116.db2.gz MTZHTVPGWKXFEN-LLVKDONJSA-N -1 1 382.432 0.209 20 0 GCADMM CC[C@@H]1CN(C(=O)c2n[nH]cc2C)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571205597 953040125 /nfs/dbraw/zinc/04/01/25/953040125.db2.gz LMSFJLSKHPZLSC-NEPJUHHUSA-N -1 1 382.432 0.463 20 0 GCADMM CCN(CC1CCN(C(=O)c2cn[nH]c2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571205626 953040134 /nfs/dbraw/zinc/04/01/34/953040134.db2.gz LTTWUVNTKVESCA-UHFFFAOYSA-N -1 1 382.432 0.759 20 0 GCADMM CCN(CC1CCN(C(=O)c2cn[nH]c2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571205626 953040138 /nfs/dbraw/zinc/04/01/38/953040138.db2.gz LTTWUVNTKVESCA-UHFFFAOYSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001571205602 953040238 /nfs/dbraw/zinc/04/02/38/953040238.db2.gz JWJRPWQAYPJDIU-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001571205602 953040244 /nfs/dbraw/zinc/04/02/44/953040244.db2.gz JWJRPWQAYPJDIU-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H]1CN(C(=O)c2ccnn2C)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571205593 953040354 /nfs/dbraw/zinc/04/03/54/953040354.db2.gz LKKSOUJSIZSAEN-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CN(C(=O)c2ccnn2C)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571205593 953040359 /nfs/dbraw/zinc/04/03/59/953040359.db2.gz LKKSOUJSIZSAEN-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571205831 953042287 /nfs/dbraw/zinc/04/22/87/953042287.db2.gz BQOGBFGKOFNBCG-GWCFXTLKSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571205831 953042290 /nfs/dbraw/zinc/04/22/90/953042290.db2.gz BQOGBFGKOFNBCG-GWCFXTLKSA-N -1 1 382.432 0.754 20 0 GCADMM CCc1nc[nH]c1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571205880 953044124 /nfs/dbraw/zinc/04/41/24/953044124.db2.gz NIOUVGPAMNATTJ-UHFFFAOYSA-N -1 1 382.432 0.589 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)c3nc(C)c[nH]3)CC2)n1 ZINC001571205985 953044727 /nfs/dbraw/zinc/04/47/27/953044727.db2.gz QBGNZRNDLZMZHV-UHFFFAOYSA-N -1 1 382.432 0.603 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)c3nc(C)c[nH]3)CC2)n1 ZINC001571205985 953044731 /nfs/dbraw/zinc/04/47/31/953044731.db2.gz QBGNZRNDLZMZHV-UHFFFAOYSA-N -1 1 382.432 0.603 20 0 GCADMM CCCc1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571205925 953045151 /nfs/dbraw/zinc/04/51/51/953045151.db2.gz OLYALJMSEHSQLX-GFCCVEGCSA-N -1 1 382.432 0.471 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205953 953045279 /nfs/dbraw/zinc/04/52/79/953045279.db2.gz OWZNROIAUYURST-RISCZKNCSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205953 953045287 /nfs/dbraw/zinc/04/52/87/953045287.db2.gz OWZNROIAUYURST-RISCZKNCSA-N -1 1 382.432 0.282 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)cc(-c2nnn[n-]2)n1 ZINC001571206038 953045753 /nfs/dbraw/zinc/04/57/53/953045753.db2.gz RERUUBSBHFPLIS-NSHDSACASA-N -1 1 382.432 0.527 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)cc(-c2nn[n-]n2)n1 ZINC001571206038 953045756 /nfs/dbraw/zinc/04/57/56/953045756.db2.gz RERUUBSBHFPLIS-NSHDSACASA-N -1 1 382.432 0.527 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571206072 953046032 /nfs/dbraw/zinc/04/60/32/953046032.db2.gz RMKAANGUPYTUQM-KRWDZBQOSA-N -1 1 382.432 0.907 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571206072 953046036 /nfs/dbraw/zinc/04/60/36/953046036.db2.gz RMKAANGUPYTUQM-KRWDZBQOSA-N -1 1 382.432 0.907 20 0 GCADMM CCn1cc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571206126 953046697 /nfs/dbraw/zinc/04/66/97/953046697.db2.gz DLSMYFFUDSNNBY-LBPRGKRZSA-N -1 1 382.432 0.438 20 0 GCADMM CCn1cc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571206126 953046701 /nfs/dbraw/zinc/04/67/01/953046701.db2.gz DLSMYFFUDSNNBY-LBPRGKRZSA-N -1 1 382.432 0.438 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C)n1 ZINC001571206111 953047476 /nfs/dbraw/zinc/04/74/76/953047476.db2.gz DHKOVVGRPBWNRK-YPMHNXCESA-N -1 1 382.432 0.025 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)Cc3ccn(C)n3)[C@H]2C)n1 ZINC001571206111 953047479 /nfs/dbraw/zinc/04/74/79/953047479.db2.gz DHKOVVGRPBWNRK-YPMHNXCESA-N -1 1 382.432 0.025 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206214 953047882 /nfs/dbraw/zinc/04/78/82/953047882.db2.gz NCKBBFSZBHYTOH-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206214 953047885 /nfs/dbraw/zinc/04/78/85/953047885.db2.gz NCKBBFSZBHYTOH-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)CCc1ccnn1C ZINC001571206230 953048278 /nfs/dbraw/zinc/04/82/78/953048278.db2.gz SMHBBRRRFFRQJN-NEPJUHHUSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)CCc1ccnn1C ZINC001571206230 953048279 /nfs/dbraw/zinc/04/82/79/953048279.db2.gz SMHBBRRRFFRQJN-NEPJUHHUSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001571206190 953048355 /nfs/dbraw/zinc/04/83/55/953048355.db2.gz MWJDNSIBUVAMGV-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001571206190 953048356 /nfs/dbraw/zinc/04/83/56/953048356.db2.gz MWJDNSIBUVAMGV-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM O=C(N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)[C@]12CCC[C@H]1OCC2 ZINC001571206250 953049056 /nfs/dbraw/zinc/04/90/56/953049056.db2.gz NMSRGBRUFKJFIK-JWXAPSBJSA-N -1 1 382.428 0.405 20 0 GCADMM O=C(N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)[C@]12CCC[C@H]1OCC2 ZINC001571206250 953049062 /nfs/dbraw/zinc/04/90/62/953049062.db2.gz NMSRGBRUFKJFIK-JWXAPSBJSA-N -1 1 382.428 0.405 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206269 953049284 /nfs/dbraw/zinc/04/92/84/953049284.db2.gz OBBPQAHMRCVCHJ-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206269 953049288 /nfs/dbraw/zinc/04/92/88/953049288.db2.gz OBBPQAHMRCVCHJ-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571206333 953049812 /nfs/dbraw/zinc/04/98/12/953049812.db2.gz UBXUPBWSWZFGGD-AOOOYVTPSA-N -1 1 382.432 0.878 20 0 GCADMM CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571206333 953049816 /nfs/dbraw/zinc/04/98/16/953049816.db2.gz UBXUPBWSWZFGGD-AOOOYVTPSA-N -1 1 382.432 0.878 20 0 GCADMM CN(CCC1CCN(C(=O)c2cn[nH]c2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571206385 953050237 /nfs/dbraw/zinc/05/02/37/953050237.db2.gz GBLPMWYVMLJRJA-UHFFFAOYSA-N -1 1 382.432 0.759 20 0 GCADMM CN(CCC1CCN(C(=O)c2cn[nH]c2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571206385 953050239 /nfs/dbraw/zinc/05/02/39/953050239.db2.gz GBLPMWYVMLJRJA-UHFFFAOYSA-N -1 1 382.432 0.759 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206467 953050889 /nfs/dbraw/zinc/05/08/89/953050889.db2.gz UWZAYCFPUJNGPL-QWRGUYRKSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206467 953050892 /nfs/dbraw/zinc/05/08/92/953050892.db2.gz UWZAYCFPUJNGPL-QWRGUYRKSA-N -1 1 382.432 0.762 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206445 953050991 /nfs/dbraw/zinc/05/09/91/953050991.db2.gz GZCUFVQRSBHMLB-NWDGAFQWSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206445 953050994 /nfs/dbraw/zinc/05/09/94/953050994.db2.gz GZCUFVQRSBHMLB-NWDGAFQWSA-N -1 1 382.432 0.884 20 0 GCADMM CC[C@H](C)n1nccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206454 953051001 /nfs/dbraw/zinc/05/10/01/953051001.db2.gz UUNUEARSGFJQTP-NWDGAFQWSA-N -1 1 382.432 0.833 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571206398 953051030 /nfs/dbraw/zinc/05/10/30/953051030.db2.gz GHOGFFIHUVTBQB-CYBMUJFWSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)cn1 ZINC001571206417 953051116 /nfs/dbraw/zinc/05/11/16/953051116.db2.gz GSAVUQAKBJFIJK-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@@H](NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206544 953051916 /nfs/dbraw/zinc/05/19/16/953051916.db2.gz ICDMVXMEIVMEPH-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@@H](NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206544 953051919 /nfs/dbraw/zinc/05/19/19/953051919.db2.gz ICDMVXMEIVMEPH-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM CCCn1cc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571206599 953053229 /nfs/dbraw/zinc/05/32/29/953053229.db2.gz VPQFRXZLWJCYET-ZDUSSCGKSA-N -1 1 382.432 0.614 20 0 GCADMM CCCn1cc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571206599 953053230 /nfs/dbraw/zinc/05/32/30/953053230.db2.gz VPQFRXZLWJCYET-ZDUSSCGKSA-N -1 1 382.432 0.614 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571206585 953053245 /nfs/dbraw/zinc/05/32/45/953053245.db2.gz VNTFBODDYTVQGW-NSHDSACASA-N -1 1 382.432 0.351 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206651 953053664 /nfs/dbraw/zinc/05/36/64/953053664.db2.gz VVXQYLIIOTWYTK-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206651 953053667 /nfs/dbraw/zinc/05/36/67/953053667.db2.gz VVXQYLIIOTWYTK-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM CCc1nn(C)cc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571206663 953053919 /nfs/dbraw/zinc/05/39/19/953053919.db2.gz VXHJEGWKXIOPOO-WDEREUQCSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571206663 953053930 /nfs/dbraw/zinc/05/39/30/953053930.db2.gz VXHJEGWKXIOPOO-WDEREUQCSA-N -1 1 382.432 0.668 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2C)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571206677 953054090 /nfs/dbraw/zinc/05/40/90/953054090.db2.gz WECOKUATEUIDLF-GXTWGEPZSA-N -1 1 382.432 0.486 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2C)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571206677 953054094 /nfs/dbraw/zinc/05/40/94/953054094.db2.gz WECOKUATEUIDLF-GXTWGEPZSA-N -1 1 382.432 0.486 20 0 GCADMM CCc1nn(C)cc1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571206661 953054195 /nfs/dbraw/zinc/05/41/95/953054195.db2.gz VXHJEGWKXIOPOO-MNOVXSKESA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571206661 953054199 /nfs/dbraw/zinc/05/41/99/953054199.db2.gz VXHJEGWKXIOPOO-MNOVXSKESA-N -1 1 382.432 0.668 20 0 GCADMM CCn1cc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571206644 953054327 /nfs/dbraw/zinc/05/43/27/953054327.db2.gz VVOCRICFELFWOJ-KRWDZBQOSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1cc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571206644 953054332 /nfs/dbraw/zinc/05/43/32/953054332.db2.gz VVOCRICFELFWOJ-KRWDZBQOSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ncc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)c1C ZINC001571206829 953055763 /nfs/dbraw/zinc/05/57/63/953055763.db2.gz LCPAATJMHMKETL-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ncc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)c1C ZINC001571206829 953055766 /nfs/dbraw/zinc/05/57/66/953055766.db2.gz LCPAATJMHMKETL-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571206890 953057306 /nfs/dbraw/zinc/05/73/06/953057306.db2.gz YPUAZYHJWUETLT-GHMZBOCLSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571206890 953057309 /nfs/dbraw/zinc/05/73/09/953057309.db2.gz YPUAZYHJWUETLT-GHMZBOCLSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC001571206980 953058483 /nfs/dbraw/zinc/05/84/83/953058483.db2.gz YVRUZKHHZJLYAY-NSHDSACASA-N -1 1 382.432 0.165 20 0 GCADMM CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206997 953058568 /nfs/dbraw/zinc/05/85/68/953058568.db2.gz ZBUVFBAMDGKEFJ-MFKMUULPSA-N -1 1 382.432 0.444 20 0 GCADMM CCn1ncc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571207092 953059154 /nfs/dbraw/zinc/05/91/54/953059154.db2.gz MWVKOEORIVBACI-TXEJJXNPSA-N -1 1 382.432 0.802 20 0 GCADMM CCn1ncc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207092 953059157 /nfs/dbraw/zinc/05/91/57/953059157.db2.gz MWVKOEORIVBACI-TXEJJXNPSA-N -1 1 382.432 0.802 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571207034 953059188 /nfs/dbraw/zinc/05/91/88/953059188.db2.gz LPZVIOZIGUJVJR-GFCCVEGCSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571207034 953059192 /nfs/dbraw/zinc/05/91/92/953059192.db2.gz LPZVIOZIGUJVJR-GFCCVEGCSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)Cc2ncc[nH]2)n1 ZINC001571207136 953060201 /nfs/dbraw/zinc/06/02/01/953060201.db2.gz NQPYPPMPVXWYGB-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)Cc2ncc[nH]2)n1 ZINC001571207136 953060204 /nfs/dbraw/zinc/06/02/04/953060204.db2.gz NQPYPPMPVXWYGB-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)n1 ZINC001571207140 953060219 /nfs/dbraw/zinc/06/02/19/953060219.db2.gz NQPYPPMPVXWYGB-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)n1 ZINC001571207140 953060223 /nfs/dbraw/zinc/06/02/23/953060223.db2.gz NQPYPPMPVXWYGB-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001571207205 953060633 /nfs/dbraw/zinc/06/06/33/953060633.db2.gz WZGMBYIRDXUNNA-VXGBXAGGSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001571207205 953060636 /nfs/dbraw/zinc/06/06/36/953060636.db2.gz WZGMBYIRDXUNNA-VXGBXAGGSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571207227 953061020 /nfs/dbraw/zinc/06/10/20/953061020.db2.gz XUELDZSQXSGSKD-SJKOYZFVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571207227 953061025 /nfs/dbraw/zinc/06/10/25/953061025.db2.gz XUELDZSQXSGSKD-SJKOYZFVSA-N -1 1 382.432 0.765 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571207223 953061354 /nfs/dbraw/zinc/06/13/54/953061354.db2.gz XSOPMZMTNYIQCW-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571207223 953061358 /nfs/dbraw/zinc/06/13/58/953061358.db2.gz XSOPMZMTNYIQCW-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571207322 953061664 /nfs/dbraw/zinc/06/16/64/953061664.db2.gz QUXSGHBRMHZYSC-GFCCVEGCSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571207322 953061668 /nfs/dbraw/zinc/06/16/68/953061668.db2.gz QUXSGHBRMHZYSC-GFCCVEGCSA-N -1 1 382.432 0.662 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571207287 953061822 /nfs/dbraw/zinc/06/18/22/953061822.db2.gz PNTJWQYHOOOHDF-GXFFZTMASA-N -1 1 382.432 0.463 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571207299 953061987 /nfs/dbraw/zinc/06/19/87/953061987.db2.gz PYOAYTBAHMUEJI-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571207299 953061988 /nfs/dbraw/zinc/06/19/88/953061988.db2.gz PYOAYTBAHMUEJI-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207294 953062035 /nfs/dbraw/zinc/06/20/35/953062035.db2.gz PRDRTGKXNJBXLE-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207294 953062036 /nfs/dbraw/zinc/06/20/36/953062036.db2.gz PRDRTGKXNJBXLE-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1c(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571207314 953062091 /nfs/dbraw/zinc/06/20/91/953062091.db2.gz QIPVPHOWJXNOCF-ZYHUDNBSSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571207413 953062882 /nfs/dbraw/zinc/06/28/82/953062882.db2.gz RASSIRHUITVWMV-SNVBAGLBSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571207413 953062884 /nfs/dbraw/zinc/06/28/84/953062884.db2.gz RASSIRHUITVWMV-SNVBAGLBSA-N -1 1 382.432 0.723 20 0 GCADMM CCn1cc(CC(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571207425 953063040 /nfs/dbraw/zinc/06/30/40/953063040.db2.gz RKQZRVMIQUMWSP-CYBMUJFWSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1cc(CC(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571207425 953063044 /nfs/dbraw/zinc/06/30/44/953063044.db2.gz RKQZRVMIQUMWSP-CYBMUJFWSA-N -1 1 382.432 0.519 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571207473 953063863 /nfs/dbraw/zinc/06/38/63/953063863.db2.gz SIKVUJGXCUIGQX-LBPRGKRZSA-N -1 1 382.432 0.297 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571207576 953064216 /nfs/dbraw/zinc/06/42/16/953064216.db2.gz XCFNNNIABLSELD-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571207576 953064219 /nfs/dbraw/zinc/06/42/19/953064219.db2.gz XCFNNNIABLSELD-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H](C)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207588 953064267 /nfs/dbraw/zinc/06/42/67/953064267.db2.gz XLZFIOIAUDOBTJ-RYUDHWBXSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H](C)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207588 953064268 /nfs/dbraw/zinc/06/42/68/953064268.db2.gz XLZFIOIAUDOBTJ-RYUDHWBXSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1c(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)cnn1C ZINC001571207638 953065047 /nfs/dbraw/zinc/06/50/47/953065047.db2.gz YQKMLWGYIFYENE-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1c(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)cnn1C ZINC001571207638 953065050 /nfs/dbraw/zinc/06/50/50/953065050.db2.gz YQKMLWGYIFYENE-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001571207650 953065560 /nfs/dbraw/zinc/06/55/60/953065560.db2.gz ZBFQGLMTPHQHQT-AAEUAGOBSA-N -1 1 382.432 0.517 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001571207650 953065562 /nfs/dbraw/zinc/06/55/62/953065562.db2.gz ZBFQGLMTPHQHQT-AAEUAGOBSA-N -1 1 382.432 0.517 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccnn3C)C[C@H]2C)n1 ZINC001571207636 953065579 /nfs/dbraw/zinc/06/55/79/953065579.db2.gz YKFTZOHRIZFRID-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccnn3C)C[C@H]2C)n1 ZINC001571207636 953065580 /nfs/dbraw/zinc/06/55/80/953065580.db2.gz YKFTZOHRIZFRID-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001571209789 953068105 /nfs/dbraw/zinc/06/81/05/953068105.db2.gz FDLPUDXKMYPORA-SECBINFHSA-N -1 1 382.446 0.886 20 0 GCADMM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001571209789 953068106 /nfs/dbraw/zinc/06/81/06/953068106.db2.gz FDLPUDXKMYPORA-SECBINFHSA-N -1 1 382.446 0.886 20 0 GCADMM O=C(Cn1cccn1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571209872 953068972 /nfs/dbraw/zinc/06/89/72/953068972.db2.gz HKJXRRBHIOLPKP-ZDUSSCGKSA-N -1 1 382.432 0.737 20 0 GCADMM O=C(Cn1cccn1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571209872 953068974 /nfs/dbraw/zinc/06/89/74/953068974.db2.gz HKJXRRBHIOLPKP-ZDUSSCGKSA-N -1 1 382.432 0.737 20 0 GCADMM Cn1nccc1C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571209995 953069348 /nfs/dbraw/zinc/06/93/48/953069348.db2.gz KYTRUISTSMGSMV-LBPRGKRZSA-N -1 1 382.432 0.887 20 0 GCADMM Cn1nccc1C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571209995 953069351 /nfs/dbraw/zinc/06/93/51/953069351.db2.gz KYTRUISTSMGSMV-LBPRGKRZSA-N -1 1 382.432 0.887 20 0 GCADMM O=C(CCn1cccn1)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571210912 953076487 /nfs/dbraw/zinc/07/64/87/953076487.db2.gz ZYEGEHAKDWAVGZ-CYBMUJFWSA-N -1 1 382.432 0.594 20 0 GCADMM O=C(CCn1cccn1)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571210912 953076489 /nfs/dbraw/zinc/07/64/89/953076489.db2.gz ZYEGEHAKDWAVGZ-CYBMUJFWSA-N -1 1 382.432 0.594 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571211652 953079751 /nfs/dbraw/zinc/07/97/51/953079751.db2.gz DWWWQCYXRRXTFR-GFCCVEGCSA-N -1 1 382.432 0.500 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571211652 953079752 /nfs/dbraw/zinc/07/97/52/953079752.db2.gz DWWWQCYXRRXTFR-GFCCVEGCSA-N -1 1 382.432 0.500 20 0 GCADMM Cc1cnn(C)c1C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571211822 953082082 /nfs/dbraw/zinc/08/20/82/953082082.db2.gz GPBVXEXESVYNTN-VXGBXAGGSA-N -1 1 382.432 0.201 20 0 GCADMM Cc1cnn(C)c1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571211822 953082083 /nfs/dbraw/zinc/08/20/83/953082083.db2.gz GPBVXEXESVYNTN-VXGBXAGGSA-N -1 1 382.432 0.201 20 0 GCADMM Cc1cnn(CCC(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571211954 953082991 /nfs/dbraw/zinc/08/29/91/953082991.db2.gz IWGMOWOGSKNSBR-ZDUSSCGKSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1cnn(CCC(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571211954 953082994 /nfs/dbraw/zinc/08/29/94/953082994.db2.gz IWGMOWOGSKNSBR-ZDUSSCGKSA-N -1 1 382.432 0.512 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571211925 953083082 /nfs/dbraw/zinc/08/30/82/953083082.db2.gz ISGHNZKAIWFGBM-UHFFFAOYSA-N -1 1 382.432 0.062 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212107 953084254 /nfs/dbraw/zinc/08/42/54/953084254.db2.gz IZECRDHGUAWATM-HAQNSBGRSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212107 953084262 /nfs/dbraw/zinc/08/42/62/953084262.db2.gz IZECRDHGUAWATM-HAQNSBGRSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1C(C)C ZINC001571212150 953084920 /nfs/dbraw/zinc/08/49/20/953084920.db2.gz KAIFQQGKQLEPID-GFCCVEGCSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1C(C)C ZINC001571212150 953084923 /nfs/dbraw/zinc/08/49/23/953084923.db2.gz KAIFQQGKQLEPID-GFCCVEGCSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571212364 953086635 /nfs/dbraw/zinc/08/66/35/953086635.db2.gz MQEKCCWDWJKNLI-KRWDZBQOSA-N -1 1 382.432 0.961 20 0 GCADMM Cn1cncc1CC(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571212367 953087517 /nfs/dbraw/zinc/08/75/17/953087517.db2.gz MTINQMSYSKWAQE-NWDGAFQWSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1cncc1CC(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571212367 953087522 /nfs/dbraw/zinc/08/75/22/953087522.db2.gz MTINQMSYSKWAQE-NWDGAFQWSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571212402 953088583 /nfs/dbraw/zinc/08/85/83/953088583.db2.gz NWEMXPUKWUHGPY-GFCCVEGCSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571212402 953088587 /nfs/dbraw/zinc/08/85/87/953088587.db2.gz NWEMXPUKWUHGPY-GFCCVEGCSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571212701 953089743 /nfs/dbraw/zinc/08/97/43/953089743.db2.gz OIPJJNZOTAEUIG-QMTHXVAHSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571212701 953089747 /nfs/dbraw/zinc/08/97/47/953089747.db2.gz OIPJJNZOTAEUIG-QMTHXVAHSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)n1C ZINC001571212814 953090127 /nfs/dbraw/zinc/09/01/27/953090127.db2.gz PJMJPQSBGXWSFE-CMPLNLGQSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)n1C ZINC001571212814 953090129 /nfs/dbraw/zinc/09/01/29/953090129.db2.gz PJMJPQSBGXWSFE-CMPLNLGQSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571212717 953090140 /nfs/dbraw/zinc/09/01/40/953090140.db2.gz OKWMNYNDSCOIPQ-HAQNSBGRSA-N -1 1 382.432 0.628 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571212717 953090143 /nfs/dbraw/zinc/09/01/43/953090143.db2.gz OKWMNYNDSCOIPQ-HAQNSBGRSA-N -1 1 382.432 0.628 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)n1C ZINC001571212818 953090337 /nfs/dbraw/zinc/09/03/37/953090337.db2.gz PJMJPQSBGXWSFE-PWSUYJOCSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)n1C ZINC001571212818 953090342 /nfs/dbraw/zinc/09/03/42/953090342.db2.gz PJMJPQSBGXWSFE-PWSUYJOCSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571213419 953094163 /nfs/dbraw/zinc/09/41/63/953094163.db2.gz SMNVRIDHDYANGN-RYUDHWBXSA-N -1 1 382.432 0.723 20 0 GCADMM Cn1cnc(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001571213410 953094578 /nfs/dbraw/zinc/09/45/78/953094578.db2.gz SCXLRSGOQRCZTL-LBPRGKRZSA-N -1 1 382.432 0.569 20 0 GCADMM Cn1cnc(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001571213410 953094583 /nfs/dbraw/zinc/09/45/83/953094583.db2.gz SCXLRSGOQRCZTL-LBPRGKRZSA-N -1 1 382.432 0.569 20 0 GCADMM Cc1nn(C)cc1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571213475 953094988 /nfs/dbraw/zinc/09/49/88/953094988.db2.gz UTUWOSDIRUUUAF-UHFFFAOYSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)n(C)n1 ZINC001571213787 953097662 /nfs/dbraw/zinc/09/76/62/953097662.db2.gz VTGAVRPBLBWQDY-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)n(C)n1 ZINC001571213787 953097664 /nfs/dbraw/zinc/09/76/64/953097664.db2.gz VTGAVRPBLBWQDY-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571213829 953097693 /nfs/dbraw/zinc/09/76/93/953097693.db2.gz XLKPOCVVQCWQIR-GFCCVEGCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571213829 953097694 /nfs/dbraw/zinc/09/76/94/953097694.db2.gz XLKPOCVVQCWQIR-GFCCVEGCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571213779 953097736 /nfs/dbraw/zinc/09/77/36/953097736.db2.gz VPDFSSJGTAMCLR-SKDRFNHKSA-N -1 1 382.432 0.235 20 0 GCADMM Cc1ccn([C@H](C)CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571213869 953098813 /nfs/dbraw/zinc/09/88/13/953098813.db2.gz YAFOUBNBSRJXJC-CHWSQXEVSA-N -1 1 382.432 0.248 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571214171 953100316 /nfs/dbraw/zinc/10/03/16/953100316.db2.gz YUGCMHLKYPIMGA-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571214171 953100319 /nfs/dbraw/zinc/10/03/19/953100319.db2.gz YUGCMHLKYPIMGA-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(CC(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)c1 ZINC001571214270 953100934 /nfs/dbraw/zinc/10/09/34/953100934.db2.gz ZVUFWVXLYMKNMC-CYBMUJFWSA-N -1 1 382.432 0.193 20 0 GCADMM Cc1cnn(CC(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)c1 ZINC001571214270 953100939 /nfs/dbraw/zinc/10/09/39/953100939.db2.gz ZVUFWVXLYMKNMC-CYBMUJFWSA-N -1 1 382.432 0.193 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cncc(F)c3)C2)n1 ZINC001571217116 953106083 /nfs/dbraw/zinc/10/60/83/953106083.db2.gz HIJBBRODGQQYEW-GFCCVEGCSA-N -1 1 383.391 0.762 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cncc(F)c3)C2)n1 ZINC001571217116 953106086 /nfs/dbraw/zinc/10/60/86/953106086.db2.gz HIJBBRODGQQYEW-GFCCVEGCSA-N -1 1 383.391 0.762 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001571217335 953107498 /nfs/dbraw/zinc/10/74/98/953107498.db2.gz IHLKKZOZTXRUBQ-MNOVXSKESA-N -1 1 383.391 0.575 20 0 GCADMM C[C@H]1C[C@H](NC(=O)c2cncc(F)c2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571217599 953108980 /nfs/dbraw/zinc/10/89/80/953108980.db2.gz OKGOPHFUKDWMCX-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1C[C@H](NC(=O)c2cncc(F)c2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571217599 953108986 /nfs/dbraw/zinc/10/89/86/953108986.db2.gz OKGOPHFUKDWMCX-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571218252 953113974 /nfs/dbraw/zinc/11/39/74/953113974.db2.gz UGRCLKBXFXFGNF-GXFFZTMASA-N -1 1 383.391 0.692 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571218252 953113977 /nfs/dbraw/zinc/11/39/77/953113977.db2.gz UGRCLKBXFXFGNF-GXFFZTMASA-N -1 1 383.391 0.692 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2cncc(F)c2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571218619 953116706 /nfs/dbraw/zinc/11/67/06/953116706.db2.gz XIRKJAAFBBPESL-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2cncc(F)c2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571218619 953116710 /nfs/dbraw/zinc/11/67/10/953116710.db2.gz XIRKJAAFBBPESL-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2cncc(F)c2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571218627 953117134 /nfs/dbraw/zinc/11/71/34/953117134.db2.gz XIRKJAAFBBPESL-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2cncc(F)c2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571218627 953117136 /nfs/dbraw/zinc/11/71/36/953117136.db2.gz XIRKJAAFBBPESL-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2ccncc2F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571218715 953117848 /nfs/dbraw/zinc/11/78/48/953117848.db2.gz ZNDBGALEXQAZPO-MNOVXSKESA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2ccncc2F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571218715 953117851 /nfs/dbraw/zinc/11/78/51/953117851.db2.gz ZNDBGALEXQAZPO-MNOVXSKESA-N -1 1 383.391 0.978 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1F)c1ccc(-c2nnn[n-]2)nn1 ZINC001571218650 953118185 /nfs/dbraw/zinc/11/81/85/953118185.db2.gz DDFAAUBHKXQYOF-LLVKDONJSA-N -1 1 383.391 0.932 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1F)c1ccc(-c2nn[n-]n2)nn1 ZINC001571218650 953118188 /nfs/dbraw/zinc/11/81/88/953118188.db2.gz DDFAAUBHKXQYOF-LLVKDONJSA-N -1 1 383.391 0.932 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2ncccc2F)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571218738 953119234 /nfs/dbraw/zinc/11/92/34/953119234.db2.gz ZZMCBUOXZVIEBN-WDEREUQCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2ncccc2F)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571218738 953119235 /nfs/dbraw/zinc/11/92/35/953119235.db2.gz ZZMCBUOXZVIEBN-WDEREUQCSA-N -1 1 383.391 0.978 20 0 GCADMM Cn1c(=O)[nH]c(Oc2ccc(F)cc2Br)c(-c2nn[n-]n2)c1=O ZINC001571219108 953122677 /nfs/dbraw/zinc/12/26/77/953122677.db2.gz VKFZKLPWWOKXJO-UHFFFAOYSA-N -1 1 383.137 0.948 20 0 GCADMM O=C(N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ncccc1F ZINC001571219198 953123746 /nfs/dbraw/zinc/12/37/46/953123746.db2.gz LVSKYENKESJGAK-JQWIXIFHSA-N -1 1 383.391 0.623 20 0 GCADMM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571220005 953128154 /nfs/dbraw/zinc/12/81/54/953128154.db2.gz WURPFJSNDRRBJE-VIFPVBQESA-N -1 1 383.409 0.088 20 0 GCADMM O=C(c1ccc(F)cn1)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571219977 953128571 /nfs/dbraw/zinc/12/85/71/953128571.db2.gz WAFGCDDNVMIKEJ-LLVKDONJSA-N -1 1 383.391 0.577 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)c1cc(F)c[nH]1 ZINC001571220025 953128676 /nfs/dbraw/zinc/12/86/76/953128676.db2.gz WWIHRQSSZDKTQZ-GFCCVEGCSA-N -1 1 383.391 0.913 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)c1cc(F)c[nH]1 ZINC001571220025 953128678 /nfs/dbraw/zinc/12/86/78/953128678.db2.gz WWIHRQSSZDKTQZ-GFCCVEGCSA-N -1 1 383.391 0.913 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001571222070 953130269 /nfs/dbraw/zinc/13/02/69/953130269.db2.gz BEJZHYBSEDOPQL-AAEUAGOBSA-N -1 1 383.416 0.348 20 0 GCADMM CCCc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571222028 953131002 /nfs/dbraw/zinc/13/10/02/953131002.db2.gz AFDNDFMGECYTCH-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571222159 953131607 /nfs/dbraw/zinc/13/16/07/953131607.db2.gz DIMFPOMLFAWCNA-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571222159 953131610 /nfs/dbraw/zinc/13/16/10/953131610.db2.gz DIMFPOMLFAWCNA-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)co1 ZINC001571222409 953133859 /nfs/dbraw/zinc/13/38/59/953133859.db2.gz HYBJKSRIVKJTRP-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)co1 ZINC001571222409 953133864 /nfs/dbraw/zinc/13/38/64/953133864.db2.gz HYBJKSRIVKJTRP-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnoc2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571222641 953136917 /nfs/dbraw/zinc/13/69/17/953136917.db2.gz KINZHWMRTBCKDJ-AAEUAGOBSA-N -1 1 383.416 0.206 20 0 GCADMM CCc1nc(C)c(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571222683 953137808 /nfs/dbraw/zinc/13/78/08/953137808.db2.gz IZYXRBJSHIFWSA-UHFFFAOYSA-N -1 1 383.416 0.654 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222706 953137950 /nfs/dbraw/zinc/13/79/50/953137950.db2.gz JRTDNEPDUZPYNV-NSHDSACASA-N -1 1 383.416 0.806 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222706 953137954 /nfs/dbraw/zinc/13/79/54/953137954.db2.gz JRTDNEPDUZPYNV-NSHDSACASA-N -1 1 383.416 0.806 20 0 GCADMM CCc1nc(C)c(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571222816 953138726 /nfs/dbraw/zinc/13/87/26/953138726.db2.gz MOZNOBMKEYRXLN-NSHDSACASA-N -1 1 383.416 0.866 20 0 GCADMM CCc1nc(C)c(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571222816 953138730 /nfs/dbraw/zinc/13/87/30/953138730.db2.gz MOZNOBMKEYRXLN-NSHDSACASA-N -1 1 383.416 0.866 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571222752 953138739 /nfs/dbraw/zinc/13/87/39/953138739.db2.gz LAZATEKBYIJKCW-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571222752 953138742 /nfs/dbraw/zinc/13/87/42/953138742.db2.gz LAZATEKBYIJKCW-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCCc1nc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571222803 953139029 /nfs/dbraw/zinc/13/90/29/953139029.db2.gz LKFLQLBUPUTFJJ-LLVKDONJSA-N -1 1 383.416 0.736 20 0 GCADMM CCc1ncoc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571223066 953141217 /nfs/dbraw/zinc/14/12/17/953141217.db2.gz PXZOJAOKVCAXCO-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCN(C(=O)c3ccon3)C2)n1 ZINC001571223392 953144067 /nfs/dbraw/zinc/14/40/67/953144067.db2.gz QPGBYVIZVVKELR-NSHDSACASA-N -1 1 383.416 0.806 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCN(C(=O)c3ccon3)C2)n1 ZINC001571223392 953144071 /nfs/dbraw/zinc/14/40/71/953144071.db2.gz QPGBYVIZVVKELR-NSHDSACASA-N -1 1 383.416 0.806 20 0 GCADMM CCCc1nc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571223406 953144205 /nfs/dbraw/zinc/14/42/05/953144205.db2.gz QUOHCTJEIYSXKB-UHFFFAOYSA-N -1 1 383.416 0.734 20 0 GCADMM CCc1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)co1 ZINC001571223793 953146991 /nfs/dbraw/zinc/14/69/91/953146991.db2.gz VQLVUTTUUOMVKR-MNOVXSKESA-N -1 1 383.416 0.734 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571223882 953147996 /nfs/dbraw/zinc/14/79/96/953147996.db2.gz ZIKZNSYTUMXCJK-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571223882 953147998 /nfs/dbraw/zinc/14/79/98/953147998.db2.gz ZIKZNSYTUMXCJK-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571223846 953148008 /nfs/dbraw/zinc/14/80/08/953148008.db2.gz YIEIKEVLIAMTOU-PWSUYJOCSA-N -1 1 383.416 0.592 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3ccn(C)c3)CCO2)n1 ZINC001571224577 953149335 /nfs/dbraw/zinc/14/93/35/953149335.db2.gz ABCSKVBRJNHWOZ-CYBMUJFWSA-N -1 1 383.416 0.257 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3ccn(C)c3)CCO2)n1 ZINC001571224577 953149337 /nfs/dbraw/zinc/14/93/37/953149337.db2.gz ABCSKVBRJNHWOZ-CYBMUJFWSA-N -1 1 383.416 0.257 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c(C)o1 ZINC001571224155 953149472 /nfs/dbraw/zinc/14/94/72/953149472.db2.gz ZPHJIECJGUHBNH-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c(C)o1 ZINC001571224155 953149474 /nfs/dbraw/zinc/14/94/74/953149474.db2.gz ZPHJIECJGUHBNH-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571225177 953151870 /nfs/dbraw/zinc/15/18/70/953151870.db2.gz IGTNSBGDOXMHQY-BXKDBHETSA-N -1 1 383.416 0.906 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571225177 953151872 /nfs/dbraw/zinc/15/18/72/953151872.db2.gz IGTNSBGDOXMHQY-BXKDBHETSA-N -1 1 383.416 0.906 20 0 GCADMM Cc1conc1C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571224970 953151991 /nfs/dbraw/zinc/15/19/91/953151991.db2.gz HTSOBNCOSHJHSX-UHFFFAOYSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1conc1C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571224970 953151994 /nfs/dbraw/zinc/15/19/94/953151994.db2.gz HTSOBNCOSHJHSX-UHFFFAOYSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1nc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571225140 953152165 /nfs/dbraw/zinc/15/21/65/953152165.db2.gz HVADVKGEUPJBIU-LBPRGKRZSA-N -1 1 383.416 0.826 20 0 GCADMM Cc1nc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571225140 953152168 /nfs/dbraw/zinc/15/21/68/953152168.db2.gz HVADVKGEUPJBIU-LBPRGKRZSA-N -1 1 383.416 0.826 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571225184 953152188 /nfs/dbraw/zinc/15/21/88/953152188.db2.gz IGTNSBGDOXMHQY-JOYOIKCWSA-N -1 1 383.416 0.906 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571225184 953152190 /nfs/dbraw/zinc/15/21/90/953152190.db2.gz IGTNSBGDOXMHQY-JOYOIKCWSA-N -1 1 383.416 0.906 20 0 GCADMM Cc1nc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571225137 953152254 /nfs/dbraw/zinc/15/22/54/953152254.db2.gz HVADVKGEUPJBIU-GFCCVEGCSA-N -1 1 383.416 0.826 20 0 GCADMM Cc1nc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571225137 953152256 /nfs/dbraw/zinc/15/22/56/953152256.db2.gz HVADVKGEUPJBIU-GFCCVEGCSA-N -1 1 383.416 0.826 20 0 GCADMM Cc1cc(C)c(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571225247 953152948 /nfs/dbraw/zinc/15/29/48/953152948.db2.gz IWBCGZKGQGRQGF-GFCCVEGCSA-N -1 1 383.416 0.555 20 0 GCADMM Cc1cc(C)c(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571225247 953152952 /nfs/dbraw/zinc/15/29/52/953152952.db2.gz IWBCGZKGQGRQGF-GFCCVEGCSA-N -1 1 383.416 0.555 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H]([C@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571225654 953153363 /nfs/dbraw/zinc/15/33/63/953153363.db2.gz MMXYASSJDDEANV-NWDGAFQWSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H]([C@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571225654 953153364 /nfs/dbraw/zinc/15/33/64/953153364.db2.gz MMXYASSJDDEANV-NWDGAFQWSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)CCc2ccon2)n1 ZINC001571225650 953153557 /nfs/dbraw/zinc/15/35/57/953153557.db2.gz MJDCSHWZCPTDQZ-CYBMUJFWSA-N -1 1 383.416 0.989 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)CCc2ccon2)n1 ZINC001571225650 953153559 /nfs/dbraw/zinc/15/35/59/953153559.db2.gz MJDCSHWZCPTDQZ-CYBMUJFWSA-N -1 1 383.416 0.989 20 0 GCADMM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571225933 953154326 /nfs/dbraw/zinc/15/43/26/953154326.db2.gz OPNLALXLMUBQQP-NWDGAFQWSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571225933 953154328 /nfs/dbraw/zinc/15/43/28/953154328.db2.gz OPNLALXLMUBQQP-NWDGAFQWSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571226403 953155082 /nfs/dbraw/zinc/15/50/82/953155082.db2.gz PWWOLWVMASQKTL-KRWDZBQOSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571226403 953155084 /nfs/dbraw/zinc/15/50/84/953155084.db2.gz PWWOLWVMASQKTL-KRWDZBQOSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(C(=O)N2CCC([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)CC2)on1 ZINC001571226421 953155354 /nfs/dbraw/zinc/15/53/54/953155354.db2.gz QKBUQUKTFBWDTP-NSHDSACASA-N -1 1 383.416 0.728 20 0 GCADMM Cc1c[nH]cc1C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571226466 953156014 /nfs/dbraw/zinc/15/60/14/953156014.db2.gz RJIQQCSLWLMJAX-QGZVFWFLSA-N -1 1 383.416 0.372 20 0 GCADMM Cc1c[nH]cc1C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571226466 953156017 /nfs/dbraw/zinc/15/60/17/953156017.db2.gz RJIQQCSLWLMJAX-QGZVFWFLSA-N -1 1 383.416 0.372 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2CCN(C(=O)c3cocn3)CC2)n1 ZINC001571226643 953156866 /nfs/dbraw/zinc/15/68/66/953156866.db2.gz UKLCEIDBBPKKBF-UHFFFAOYSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2CCN(C(=O)c3cocn3)CC2)n1 ZINC001571226643 953156867 /nfs/dbraw/zinc/15/68/67/953156867.db2.gz UKLCEIDBBPKKBF-UHFFFAOYSA-N -1 1 383.416 0.942 20 0 GCADMM CCn1cc(C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)nn1 ZINC001571227715 953158847 /nfs/dbraw/zinc/15/88/47/953158847.db2.gz AKWNKLWHUCZYHD-UHFFFAOYSA-N -1 1 383.420 0.375 20 0 GCADMM CCn1cc(C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001571227715 953158849 /nfs/dbraw/zinc/15/88/49/953158849.db2.gz AKWNKLWHUCZYHD-UHFFFAOYSA-N -1 1 383.420 0.375 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCN1C(=O)c1cnn(C)n1 ZINC001571227765 953159010 /nfs/dbraw/zinc/15/90/10/953159010.db2.gz BOSKHNZREPMGEU-MFKMUULPSA-N -1 1 383.420 0.281 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCN1C(=O)c1cnn(C)n1 ZINC001571227765 953159018 /nfs/dbraw/zinc/15/90/18/953159018.db2.gz BOSKHNZREPMGEU-MFKMUULPSA-N -1 1 383.420 0.281 20 0 GCADMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cn(C)nn2)CC1 ZINC001571227719 953159159 /nfs/dbraw/zinc/15/91/59/953159159.db2.gz AQQJJDQUSMZHIZ-UHFFFAOYSA-N -1 1 383.420 0.282 20 0 GCADMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cn(C)nn2)CC1 ZINC001571227719 953159161 /nfs/dbraw/zinc/15/91/61/953159161.db2.gz AQQJJDQUSMZHIZ-UHFFFAOYSA-N -1 1 383.420 0.282 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001571227725 953159190 /nfs/dbraw/zinc/15/91/90/953159190.db2.gz ARHVYDRPQPRBST-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001571227725 953159192 /nfs/dbraw/zinc/15/91/92/953159192.db2.gz ARHVYDRPQPRBST-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)n1 ZINC001571227791 953160062 /nfs/dbraw/zinc/16/00/62/953160062.db2.gz CDKQXAURTNVFFC-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571227791 953160064 /nfs/dbraw/zinc/16/00/64/953160064.db2.gz CDKQXAURTNVFFC-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM Cn1cccc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571227846 953160100 /nfs/dbraw/zinc/16/01/00/953160100.db2.gz DBSWQBFPVPFHAW-LBPRGKRZSA-N -1 1 383.416 0.021 20 0 GCADMM Cn1cccc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571227846 953160102 /nfs/dbraw/zinc/16/01/02/953160102.db2.gz DBSWQBFPVPFHAW-LBPRGKRZSA-N -1 1 383.416 0.021 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571228088 953161773 /nfs/dbraw/zinc/16/17/73/953161773.db2.gz HWEKUDYBSGLIFF-MNOVXSKESA-N -1 1 383.420 0.057 20 0 GCADMM CCc1nc(NC2CCN(C(=O)c3n[nH]nc3C)CC2)cc(-c2nn[n-]n2)n1 ZINC001571228429 953164251 /nfs/dbraw/zinc/16/42/51/953164251.db2.gz PAOVVJKCNHDKQR-UHFFFAOYSA-N -1 1 383.420 0.362 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571228574 953165365 /nfs/dbraw/zinc/16/53/65/953165365.db2.gz SJRBCKBQFLEBDN-OLZOCXBDSA-N -1 1 383.416 0.974 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571228574 953165366 /nfs/dbraw/zinc/16/53/66/953165366.db2.gz SJRBCKBQFLEBDN-OLZOCXBDSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001571228617 953166169 /nfs/dbraw/zinc/16/61/69/953166169.db2.gz UFUZUKDSLBODOZ-GHMZBOCLSA-N -1 1 383.420 0.057 20 0 GCADMM Cc1c(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nnn1C(C)C ZINC001571229517 953170895 /nfs/dbraw/zinc/17/08/95/953170895.db2.gz HOJDPDQPYIGULR-LLVKDONJSA-N -1 1 383.420 0.464 20 0 GCADMM Cc1c(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nnn1C(C)C ZINC001571229517 953170896 /nfs/dbraw/zinc/17/08/96/953170896.db2.gz HOJDPDQPYIGULR-LLVKDONJSA-N -1 1 383.420 0.464 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cnnn3C)[C@@H](C)C2)n1 ZINC001571229771 953172101 /nfs/dbraw/zinc/17/21/01/953172101.db2.gz MRPVIZIQNAOKJO-QWRGUYRKSA-N -1 1 383.420 0.199 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cnnn3C)[C@@H](C)C2)n1 ZINC001571229771 953172104 /nfs/dbraw/zinc/17/21/04/953172104.db2.gz MRPVIZIQNAOKJO-QWRGUYRKSA-N -1 1 383.420 0.199 20 0 GCADMM O=C(c1ccsn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571230419 953176899 /nfs/dbraw/zinc/17/68/99/953176899.db2.gz CTLRSZYPQSHSMP-PHIMTYICSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1ccsn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571230419 953176900 /nfs/dbraw/zinc/17/69/00/953176900.db2.gz CTLRSZYPQSHSMP-PHIMTYICSA-N -1 1 383.441 0.997 20 0 GCADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cnccn2)c1-c1nn[n-]n1 ZINC001571230528 953177433 /nfs/dbraw/zinc/17/74/33/953177433.db2.gz FUWBTYLMQJRQQC-PHIMTYICSA-N -1 1 383.441 0.915 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1cscn1 ZINC001571230574 953178475 /nfs/dbraw/zinc/17/84/75/953178475.db2.gz GNBNGVUVYTYFSS-LLVKDONJSA-N -1 1 383.441 0.902 20 0 GCADMM O=C(c1cscn1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571230856 953180974 /nfs/dbraw/zinc/18/09/74/953180974.db2.gz LYJGHZKNZQJMJV-OLZOCXBDSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1cscn1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571230856 953180975 /nfs/dbraw/zinc/18/09/75/953180975.db2.gz LYJGHZKNZQJMJV-OLZOCXBDSA-N -1 1 383.441 0.997 20 0 GCADMM Cc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)sc1C ZINC001571231075 953182630 /nfs/dbraw/zinc/18/26/30/953182630.db2.gz RQEYOTBICVCWJC-QWRGUYRKSA-N -1 1 383.441 0.833 20 0 GCADMM Cc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)sc1C ZINC001571231075 953182634 /nfs/dbraw/zinc/18/26/34/953182634.db2.gz RQEYOTBICVCWJC-QWRGUYRKSA-N -1 1 383.441 0.833 20 0 GCADMM O=C(c1ccns1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571231217 953184281 /nfs/dbraw/zinc/18/42/81/953184281.db2.gz VOZJFAPKBTUYDC-NEPJUHHUSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1ccns1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571231217 953184283 /nfs/dbraw/zinc/18/42/83/953184283.db2.gz VOZJFAPKBTUYDC-NEPJUHHUSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(C1CCC1)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571233860 953196920 /nfs/dbraw/zinc/19/69/20/953196920.db2.gz GHUMHHOFHFHQFI-AWEZNQCLSA-N -1 1 383.460 0.180 20 0 GCADMM O=C(CC1CCC1)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001571235232 953210784 /nfs/dbraw/zinc/21/07/84/953210784.db2.gz XYDHHWZPAAIVDK-BDAKNGLRSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(CC1CCC1)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001571235232 953210785 /nfs/dbraw/zinc/21/07/85/953210785.db2.gz XYDHHWZPAAIVDK-BDAKNGLRSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)c1n[nH]cc1F ZINC001571235500 953212862 /nfs/dbraw/zinc/21/28/62/953212862.db2.gz GTHLLRCXYGQMKN-PBINXNQUSA-N -1 1 384.379 0.449 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571235832 953214807 /nfs/dbraw/zinc/21/48/07/953214807.db2.gz PVCHHOYIIHMQNQ-RYUDHWBXSA-N -1 1 384.379 0.402 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571235832 953214812 /nfs/dbraw/zinc/21/48/12/953214812.db2.gz PVCHHOYIIHMQNQ-RYUDHWBXSA-N -1 1 384.379 0.402 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571236135 953215706 /nfs/dbraw/zinc/21/57/06/953215706.db2.gz RRABXICJCZLICK-JOYOIKCWSA-N -1 1 384.379 0.260 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571236135 953215709 /nfs/dbraw/zinc/21/57/09/953215709.db2.gz RRABXICJCZLICK-JOYOIKCWSA-N -1 1 384.379 0.260 20 0 GCADMM CCc1occc1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571236336 953217525 /nfs/dbraw/zinc/21/75/25/953217525.db2.gz WPSLGQMGQDDYEO-OLZOCXBDSA-N -1 1 384.400 0.100 20 0 GCADMM CCc1occc1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571236336 953217528 /nfs/dbraw/zinc/21/75/28/953217528.db2.gz WPSLGQMGQDDYEO-OLZOCXBDSA-N -1 1 384.400 0.100 20 0 GCADMM Cc1ccoc1C(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571237136 953219555 /nfs/dbraw/zinc/21/95/55/953219555.db2.gz FOONJKHYJNMLRV-RYUDHWBXSA-N -1 1 384.400 0.322 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571237022 953219857 /nfs/dbraw/zinc/21/98/57/953219857.db2.gz FKPWVZFOPHVZSH-BXKDBHETSA-N -1 1 384.404 0.351 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571237022 953219860 /nfs/dbraw/zinc/21/98/60/953219860.db2.gz FKPWVZFOPHVZSH-BXKDBHETSA-N -1 1 384.404 0.351 20 0 GCADMM Cc1ccc([C@H](C)C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)o1 ZINC001571237000 953219871 /nfs/dbraw/zinc/21/98/71/953219871.db2.gz FAAZZESITSAQMW-UHTWSYAYSA-N -1 1 384.400 0.028 20 0 GCADMM Cc1ccc([C@H](C)C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)o1 ZINC001571237000 953219873 /nfs/dbraw/zinc/21/98/73/953219873.db2.gz FAAZZESITSAQMW-UHTWSYAYSA-N -1 1 384.400 0.028 20 0 GCADMM COc1ccc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)cc1 ZINC001571237678 953221908 /nfs/dbraw/zinc/22/19/08/953221908.db2.gz LLDOFFSXMBWIFI-UHFFFAOYSA-N -1 1 384.400 0.616 20 0 GCADMM COc1ccc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)cc1 ZINC001571237678 953221912 /nfs/dbraw/zinc/22/19/12/953221912.db2.gz LLDOFFSXMBWIFI-UHFFFAOYSA-N -1 1 384.400 0.616 20 0 GCADMM Cn1c(=O)[nH]c(NC2CCC(O)(c3cccnc3)CC2)c(-c2nn[n-]n2)c1=O ZINC001571237673 953222191 /nfs/dbraw/zinc/22/21/91/953222191.db2.gz LEHMLIWSCDOCGG-UHFFFAOYSA-N -1 1 384.400 0.303 20 0 GCADMM CCOc1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)[nH]n1 ZINC001571238017 953224864 /nfs/dbraw/zinc/22/48/64/953224864.db2.gz RFECSSCGZANGJN-ZJUUUORDSA-N -1 1 384.404 0.176 20 0 GCADMM CCOc1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)[nH]n1 ZINC001571238017 953224869 /nfs/dbraw/zinc/22/48/69/953224869.db2.gz RFECSSCGZANGJN-ZJUUUORDSA-N -1 1 384.404 0.176 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)C1=COCCO1 ZINC001571238054 953225060 /nfs/dbraw/zinc/22/50/60/953225060.db2.gz SHQLORSJZNVSLZ-GTNSWQLSSA-N -1 1 384.400 0.020 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)C1=COCCO1 ZINC001571238054 953225062 /nfs/dbraw/zinc/22/50/62/953225062.db2.gz SHQLORSJZNVSLZ-GTNSWQLSSA-N -1 1 384.400 0.020 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)oc1C ZINC001571238013 953225136 /nfs/dbraw/zinc/22/51/36/953225136.db2.gz QXSOYXUXEXFHMG-LBPRGKRZSA-N -1 1 384.400 0.820 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571238013 953225137 /nfs/dbraw/zinc/22/51/37/953225137.db2.gz QXSOYXUXEXFHMG-LBPRGKRZSA-N -1 1 384.400 0.820 20 0 GCADMM Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)o1 ZINC001571238088 953225279 /nfs/dbraw/zinc/22/52/79/953225279.db2.gz TWWYGTLIJQZGIU-AAEUAGOBSA-N -1 1 384.400 0.236 20 0 GCADMM Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)o1 ZINC001571238088 953225283 /nfs/dbraw/zinc/22/52/83/953225283.db2.gz TWWYGTLIJQZGIU-AAEUAGOBSA-N -1 1 384.400 0.236 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)[nH]n1 ZINC001571238114 953225784 /nfs/dbraw/zinc/22/57/84/953225784.db2.gz UOBLBAZGANRANE-SNVBAGLBSA-N -1 1 384.404 0.495 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001571238114 953225788 /nfs/dbraw/zinc/22/57/88/953225788.db2.gz UOBLBAZGANRANE-SNVBAGLBSA-N -1 1 384.404 0.495 20 0 GCADMM Cc1oc(C)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)c1C ZINC001571238156 953226161 /nfs/dbraw/zinc/22/61/61/953226161.db2.gz VPDFMFYYAGKPNU-VXGBXAGGSA-N -1 1 384.400 0.154 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571238610 953230658 /nfs/dbraw/zinc/23/06/58/953230658.db2.gz IGMDESAOOHYIIE-NSHDSACASA-N -1 1 384.404 0.241 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571238610 953230659 /nfs/dbraw/zinc/23/06/59/953230659.db2.gz IGMDESAOOHYIIE-NSHDSACASA-N -1 1 384.404 0.241 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238736 953232357 /nfs/dbraw/zinc/23/23/57/953232357.db2.gz LSYRCHDVMGNCCN-NSHDSACASA-N -1 1 384.404 0.031 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238736 953232360 /nfs/dbraw/zinc/23/23/60/953232360.db2.gz LSYRCHDVMGNCCN-NSHDSACASA-N -1 1 384.404 0.031 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571238856 953232899 /nfs/dbraw/zinc/23/28/99/953232899.db2.gz NOSYELSKIPHCNR-SNVBAGLBSA-N -1 1 384.404 0.116 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571238856 953232907 /nfs/dbraw/zinc/23/29/07/953232907.db2.gz NOSYELSKIPHCNR-SNVBAGLBSA-N -1 1 384.404 0.116 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)n1 ZINC001571238817 953233246 /nfs/dbraw/zinc/23/32/46/953233246.db2.gz NAQUZAWBWLWYQR-KOLCDFICSA-N -1 1 384.404 0.382 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)n1 ZINC001571238817 953233249 /nfs/dbraw/zinc/23/32/49/953233249.db2.gz NAQUZAWBWLWYQR-KOLCDFICSA-N -1 1 384.404 0.382 20 0 GCADMM Cn1cc(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[n-]n3)C2)[nH]c1=O ZINC001571239069 953235747 /nfs/dbraw/zinc/23/57/47/953235747.db2.gz PWEWVIRXCVSGED-INIZCTEOSA-N -1 1 384.404 0.060 20 0 GCADMM Cn1c(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c[nH]c1=O ZINC001571239105 953235866 /nfs/dbraw/zinc/23/58/66/953235866.db2.gz QOJNTIOSJZMXMU-JTQLQIEISA-N -1 1 384.404 0.203 20 0 GCADMM Cn1c(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c[nH]c1=O ZINC001571239105 953235869 /nfs/dbraw/zinc/23/58/69/953235869.db2.gz QOJNTIOSJZMXMU-JTQLQIEISA-N -1 1 384.404 0.203 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571239496 953239870 /nfs/dbraw/zinc/23/98/70/953239870.db2.gz VLTVXXYPIWMHPN-QWRGUYRKSA-N -1 1 384.404 0.030 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571239496 953239872 /nfs/dbraw/zinc/23/98/72/953239872.db2.gz VLTVXXYPIWMHPN-QWRGUYRKSA-N -1 1 384.404 0.030 20 0 GCADMM COc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C)nn1C ZINC001571239745 953241818 /nfs/dbraw/zinc/24/18/18/953241818.db2.gz XISDMOXDPKETBA-SNVBAGLBSA-N -1 1 384.404 0.034 20 0 GCADMM COc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C)nn1C ZINC001571239745 953241822 /nfs/dbraw/zinc/24/18/22/953241822.db2.gz XISDMOXDPKETBA-SNVBAGLBSA-N -1 1 384.404 0.034 20 0 GCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCc1ccc2c(c1)C(=O)NCC2 ZINC001571241738 953249778 /nfs/dbraw/zinc/24/97/78/953249778.db2.gz KGDPELUKXBIJCB-UHFFFAOYSA-N -1 1 384.425 0.609 20 0 GCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCc1ccc2c(c1)C(=O)NCC2 ZINC001571241738 953249780 /nfs/dbraw/zinc/24/97/80/953249780.db2.gz KGDPELUKXBIJCB-UHFFFAOYSA-N -1 1 384.425 0.609 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnsn2)C3)n1 ZINC001571241971 953251491 /nfs/dbraw/zinc/25/14/91/953251491.db2.gz RJXCXWCCZYOUDF-PTRXPTGYSA-N -1 1 384.429 0.356 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnsn2)C3)n1 ZINC001571241971 953251492 /nfs/dbraw/zinc/25/14/92/953251492.db2.gz RJXCXWCCZYOUDF-PTRXPTGYSA-N -1 1 384.429 0.356 20 0 GCADMM CC1(NC(=O)[C@H]2C[C@]23CCOC3)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571242206 953253557 /nfs/dbraw/zinc/25/35/57/953253557.db2.gz CESMMZIPZZIXRE-XIKOKIGWSA-N -1 1 384.444 0.558 20 0 GCADMM CC1(NC(=O)[C@H]2C[C@]23CCOC3)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571242206 953253561 /nfs/dbraw/zinc/25/35/61/953253561.db2.gz CESMMZIPZZIXRE-XIKOKIGWSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571242268 953254605 /nfs/dbraw/zinc/25/46/05/953254605.db2.gz CLHYYBXGGRQBQK-OCCSQVGLSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571242268 953254606 /nfs/dbraw/zinc/25/46/06/953254606.db2.gz CLHYYBXGGRQBQK-OCCSQVGLSA-N -1 1 384.444 0.900 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571242447 953256091 /nfs/dbraw/zinc/25/60/91/953256091.db2.gz GIFKTYSRPJSGII-YXRJLALLSA-N -1 1 384.444 0.698 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571242447 953256096 /nfs/dbraw/zinc/25/60/96/953256096.db2.gz GIFKTYSRPJSGII-YXRJLALLSA-N -1 1 384.444 0.698 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3[C@@H](CNC(=O)C4CCOCC4)[C@@H]3C2)n1 ZINC001571242404 953256275 /nfs/dbraw/zinc/25/62/75/953256275.db2.gz FPAHLUHQIDUGKA-ZSOGYDGISA-N -1 1 384.444 0.190 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)C4CCOCC4)[C@@H]3C2)n1 ZINC001571242404 953256277 /nfs/dbraw/zinc/25/62/77/953256277.db2.gz FPAHLUHQIDUGKA-ZSOGYDGISA-N -1 1 384.444 0.190 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001571242432 953256308 /nfs/dbraw/zinc/25/63/08/953256308.db2.gz GBVQAWMOCQYCHE-KZULUSFZSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001571242432 953256310 /nfs/dbraw/zinc/25/63/10/953256310.db2.gz GBVQAWMOCQYCHE-KZULUSFZSA-N -1 1 384.444 0.876 20 0 GCADMM C[C@@H]1C[C@@H]1C(=O)N1CCOC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571242527 953257008 /nfs/dbraw/zinc/25/70/08/953257008.db2.gz IGGCKJVNRZENLJ-OLZOCXBDSA-N -1 1 384.444 0.511 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCO1 ZINC001571242593 953257741 /nfs/dbraw/zinc/25/77/41/953257741.db2.gz JTQQMABJTVRQCH-MXOJCPGVSA-N -1 1 384.444 0.413 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCO1 ZINC001571242593 953257746 /nfs/dbraw/zinc/25/77/46/953257746.db2.gz JTQQMABJTVRQCH-MXOJCPGVSA-N -1 1 384.444 0.413 20 0 GCADMM CC[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCO1 ZINC001571242591 953257827 /nfs/dbraw/zinc/25/78/27/953257827.db2.gz JTQQMABJTVRQCH-CRQFQMBKSA-N -1 1 384.444 0.413 20 0 GCADMM CC[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCO1 ZINC001571242591 953257829 /nfs/dbraw/zinc/25/78/29/953257829.db2.gz JTQQMABJTVRQCH-CRQFQMBKSA-N -1 1 384.444 0.413 20 0 GCADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C2=CCOCC2)CC1 ZINC001571242609 953257851 /nfs/dbraw/zinc/25/78/51/953257851.db2.gz KCZGEYLEPGEPLB-UHFFFAOYSA-N -1 1 384.444 0.608 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001571242604 953257905 /nfs/dbraw/zinc/25/79/05/953257905.db2.gz KAUZARAKQXSRSU-MQYQWHSLSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001571242604 953257909 /nfs/dbraw/zinc/25/79/09/953257909.db2.gz KAUZARAKQXSRSU-MQYQWHSLSA-N -1 1 384.444 0.366 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCO1 ZINC001571242592 953258108 /nfs/dbraw/zinc/25/81/08/953258108.db2.gz JTQQMABJTVRQCH-IPNGBCKKSA-N -1 1 384.444 0.413 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCO1 ZINC001571242592 953258110 /nfs/dbraw/zinc/25/81/10/953258110.db2.gz JTQQMABJTVRQCH-IPNGBCKKSA-N -1 1 384.444 0.413 20 0 GCADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nnn[n-]2)n1 ZINC001571242553 953258193 /nfs/dbraw/zinc/25/81/93/953258193.db2.gz ITQVVYFLUMKPRK-OOPIDFETSA-N -1 1 384.444 0.513 20 0 GCADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nn[n-]n2)n1 ZINC001571242553 953258195 /nfs/dbraw/zinc/25/81/95/953258195.db2.gz ITQVVYFLUMKPRK-OOPIDFETSA-N -1 1 384.444 0.513 20 0 GCADMM C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571242700 953259372 /nfs/dbraw/zinc/25/93/72/953259372.db2.gz LYNMFVWSKRMYEL-CHWSQXEVSA-N -1 1 384.444 0.511 20 0 GCADMM CO[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nnn[n-]2)n1)C1CCC1 ZINC001571242737 953259451 /nfs/dbraw/zinc/25/94/51/953259451.db2.gz MYDJANXAWOOJDO-YDHLFZDLSA-N -1 1 384.444 0.570 20 0 GCADMM CO[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nn[n-]n2)n1)C1CCC1 ZINC001571242737 953259452 /nfs/dbraw/zinc/25/94/52/953259452.db2.gz MYDJANXAWOOJDO-YDHLFZDLSA-N -1 1 384.444 0.570 20 0 GCADMM C[C@H]1C[C@H]1C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001571242817 953260091 /nfs/dbraw/zinc/26/00/91/953260091.db2.gz OUPVUVIWMHNLBB-QWHCGFSZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1C[C@H]1C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001571242817 953260094 /nfs/dbraw/zinc/26/00/94/953260094.db2.gz OUPVUVIWMHNLBB-QWHCGFSZSA-N -1 1 384.444 0.511 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nnn[n-]4)nc(CC)n3)C[C@H]21 ZINC001571242791 953260246 /nfs/dbraw/zinc/26/02/46/953260246.db2.gz OAWWWJCRDULFOH-ANBXVWAOSA-N -1 1 384.444 0.195 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nn[n-]n4)nc(CC)n3)C[C@H]21 ZINC001571242791 953260248 /nfs/dbraw/zinc/26/02/48/953260248.db2.gz OAWWWJCRDULFOH-ANBXVWAOSA-N -1 1 384.444 0.195 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nnn[n-]4)nc(CC)n3)C[C@H]21 ZINC001571242794 953260464 /nfs/dbraw/zinc/26/04/64/953260464.db2.gz OAWWWJCRDULFOH-XYOMKSJCSA-N -1 1 384.444 0.195 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nn[n-]n4)nc(CC)n3)C[C@H]21 ZINC001571242794 953260467 /nfs/dbraw/zinc/26/04/67/953260467.db2.gz OAWWWJCRDULFOH-XYOMKSJCSA-N -1 1 384.444 0.195 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C3=CCCC3)[C@H](O)C2)n1 ZINC001571242892 953260800 /nfs/dbraw/zinc/26/08/00/953260800.db2.gz QMAORXOJUWLULI-TZMCWYRMSA-N -1 1 384.444 0.385 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C3=CCCC3)[C@H](O)C2)n1 ZINC001571242892 953260805 /nfs/dbraw/zinc/26/08/05/953260805.db2.gz QMAORXOJUWLULI-TZMCWYRMSA-N -1 1 384.444 0.385 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)C2CC3(CC3)C2)CCO1 ZINC001571243004 953261633 /nfs/dbraw/zinc/26/16/33/953261633.db2.gz SUEYUTWGNJTFHQ-SMDDNHRTSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)C2CC3(CC3)C2)CCO1 ZINC001571243004 953261635 /nfs/dbraw/zinc/26/16/35/953261635.db2.gz SUEYUTWGNJTFHQ-SMDDNHRTSA-N -1 1 384.444 0.875 20 0 GCADMM CC[C@H]1CC[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)O1 ZINC001571242977 953261784 /nfs/dbraw/zinc/26/17/84/953261784.db2.gz SHQWPPBYSWEFIW-XFMPKHEZSA-N -1 1 384.444 0.509 20 0 GCADMM CC[C@H]1CC[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)O1 ZINC001571242977 953261786 /nfs/dbraw/zinc/26/17/86/953261786.db2.gz SHQWPPBYSWEFIW-XFMPKHEZSA-N -1 1 384.444 0.509 20 0 GCADMM CC[C@@H]1CC[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)O1 ZINC001571242974 953261825 /nfs/dbraw/zinc/26/18/25/953261825.db2.gz SHQWPPBYSWEFIW-COMQUAJESA-N -1 1 384.444 0.509 20 0 GCADMM CC[C@@H]1CC[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)O1 ZINC001571242974 953261829 /nfs/dbraw/zinc/26/18/29/953261829.db2.gz SHQWPPBYSWEFIW-COMQUAJESA-N -1 1 384.444 0.509 20 0 GCADMM COC1CC(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nnn[n-]4)cn2)C3)C1 ZINC001571243118 953263183 /nfs/dbraw/zinc/26/31/83/953263183.db2.gz WQXNAIWUZKBGTO-UHFFFAOYSA-N -1 1 384.444 0.921 20 0 GCADMM COC1CC(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nn[n-]n4)cn2)C3)C1 ZINC001571243118 953263184 /nfs/dbraw/zinc/26/31/84/953263184.db2.gz WQXNAIWUZKBGTO-UHFFFAOYSA-N -1 1 384.444 0.921 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@]23C[C@H]2COC3)n1 ZINC001571243096 953263202 /nfs/dbraw/zinc/26/32/02/953263202.db2.gz VZOBGKQDMLIGLZ-LXIYXOSZSA-N -1 1 384.444 0.429 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@]23C[C@H]2COC3)n1 ZINC001571243096 953263205 /nfs/dbraw/zinc/26/32/05/953263205.db2.gz VZOBGKQDMLIGLZ-LXIYXOSZSA-N -1 1 384.444 0.429 20 0 GCADMM CO[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001571243140 953263596 /nfs/dbraw/zinc/26/35/96/953263596.db2.gz XAWRYKROHMIUIN-DVOMOZLQSA-N -1 1 384.444 0.651 20 0 GCADMM CO[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001571243140 953263598 /nfs/dbraw/zinc/26/35/98/953263598.db2.gz XAWRYKROHMIUIN-DVOMOZLQSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)C2(C3CC3)CC2)CCO1 ZINC001571243120 953263641 /nfs/dbraw/zinc/26/36/41/953263641.db2.gz WRXVKFSJVXKFCR-BXUZGUMPSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C2(C3CC3)CC2)CCO1 ZINC001571243120 953263644 /nfs/dbraw/zinc/26/36/44/953263644.db2.gz WRXVKFSJVXKFCR-BXUZGUMPSA-N -1 1 384.444 0.875 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571247561 953283782 /nfs/dbraw/zinc/28/37/82/953283782.db2.gz AOUCPVWRVRWLGA-RDBSUJKOSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571247561 953283784 /nfs/dbraw/zinc/28/37/84/953283784.db2.gz AOUCPVWRVRWLGA-RDBSUJKOSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571247709 953285199 /nfs/dbraw/zinc/28/51/99/953285199.db2.gz BXJQXPVHYOQUMB-CFVMTHIKSA-N -1 1 384.444 0.796 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571247709 953285202 /nfs/dbraw/zinc/28/52/02/953285202.db2.gz BXJQXPVHYOQUMB-CFVMTHIKSA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@H]1CCCOC1)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571247681 953285480 /nfs/dbraw/zinc/28/54/80/953285480.db2.gz BMQUJXAFEZMPMV-UGSOOPFHSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1CCCOC1)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571247681 953285485 /nfs/dbraw/zinc/28/54/85/953285485.db2.gz BMQUJXAFEZMPMV-UGSOOPFHSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)[C@@H]1CC12CCC2 ZINC001571248027 953288965 /nfs/dbraw/zinc/28/89/65/953288965.db2.gz CHDDCCSJAWFFJM-STQMWFEESA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)[C@@H]1CC12CCC2 ZINC001571248027 953288966 /nfs/dbraw/zinc/28/89/66/953288966.db2.gz CHDDCCSJAWFFJM-STQMWFEESA-N -1 1 384.444 0.558 20 0 GCADMM O=C([C@@H]1C[C@@]12CCOC2)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571248018 953289298 /nfs/dbraw/zinc/28/92/98/953289298.db2.gz CCOFQVBVLMWCDK-SCLBCKFNSA-N -1 1 384.444 0.156 20 0 GCADMM O=C(C1CC2(C1)CCOCC2)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571248121 953289901 /nfs/dbraw/zinc/28/99/01/953289901.db2.gz DZBMGEODCIEXFO-CYBMUJFWSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(C1CC2(C1)CCOCC2)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571248121 953289903 /nfs/dbraw/zinc/28/99/03/953289903.db2.gz DZBMGEODCIEXFO-CYBMUJFWSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(C1CC2(C1)CCOCC2)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571248093 953290027 /nfs/dbraw/zinc/29/00/27/953290027.db2.gz DPRMATQAGAAPNA-CYBMUJFWSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(C1CC2(C1)CCOCC2)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571248093 953290030 /nfs/dbraw/zinc/29/00/30/953290030.db2.gz DPRMATQAGAAPNA-CYBMUJFWSA-N -1 1 384.444 0.876 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)C3CC4(CC4)C3)CCO2)n1 ZINC001571248536 953294195 /nfs/dbraw/zinc/29/41/95/953294195.db2.gz GAWNADITCPHVPW-CYBMUJFWSA-N -1 1 384.444 0.795 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)C3CC4(CC4)C3)CCO2)n1 ZINC001571248536 953294198 /nfs/dbraw/zinc/29/41/98/953294198.db2.gz GAWNADITCPHVPW-CYBMUJFWSA-N -1 1 384.444 0.795 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)[C@@H]1CCCO1 ZINC001571248539 953294703 /nfs/dbraw/zinc/29/47/03/953294703.db2.gz GDASQGJCHAVGJU-PMUMKWKESA-N -1 1 384.444 0.701 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)[C@@H]1CCCO1 ZINC001571248539 953294705 /nfs/dbraw/zinc/29/47/05/953294705.db2.gz GDASQGJCHAVGJU-PMUMKWKESA-N -1 1 384.444 0.701 20 0 GCADMM O=C([C@@H]1CCO[C@H]1C1CC1)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248869 953297922 /nfs/dbraw/zinc/29/79/22/953297922.db2.gz KRSZBDUEHAKQGN-LNSITVRQSA-N -1 1 384.444 0.154 20 0 GCADMM O=C(N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001571248965 953299666 /nfs/dbraw/zinc/29/96/66/953299666.db2.gz NAQVUOKUFCXAAP-JCGVRSQUSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@]12C[C@H]1COC2 ZINC001571248965 953299668 /nfs/dbraw/zinc/29/96/68/953299668.db2.gz NAQVUOKUFCXAAP-JCGVRSQUSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)[C@H]1CCCC2(CC2)C1 ZINC001571250434 953311327 /nfs/dbraw/zinc/31/13/27/953311327.db2.gz RNYOWBVYTBSVHP-YUTCNCBUSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)[C@H]1CCCC2(CC2)C1 ZINC001571250434 953311332 /nfs/dbraw/zinc/31/13/32/953311332.db2.gz RNYOWBVYTBSVHP-YUTCNCBUSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC001571250398 953311712 /nfs/dbraw/zinc/31/17/12/953311712.db2.gz RFYHJAQZBMDWEF-JHJVBQTASA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC001571250398 953311718 /nfs/dbraw/zinc/31/17/18/953311718.db2.gz RFYHJAQZBMDWEF-JHJVBQTASA-N -1 1 384.444 0.293 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CCC1 ZINC001571250420 953311756 /nfs/dbraw/zinc/31/17/56/953311756.db2.gz RJEQJXKUQGSRHL-HZSPNIEDSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571250420 953311761 /nfs/dbraw/zinc/31/17/61/953311761.db2.gz RJEQJXKUQGSRHL-HZSPNIEDSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)[C@H]1CCCO1 ZINC001571251213 953315488 /nfs/dbraw/zinc/31/54/88/953315488.db2.gz SRVBKGGPSQTCON-HBUWYVDXSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)[C@H]1CCCO1 ZINC001571251213 953315490 /nfs/dbraw/zinc/31/54/90/953315490.db2.gz SRVBKGGPSQTCON-HBUWYVDXSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)[C@@H]1CCCO1 ZINC001571251214 953315831 /nfs/dbraw/zinc/31/58/31/953315831.db2.gz SRVBKGGPSQTCON-PMUMKWKESA-N -1 1 384.444 0.701 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)[C@@H]1CCCO1 ZINC001571251214 953315833 /nfs/dbraw/zinc/31/58/33/953315833.db2.gz SRVBKGGPSQTCON-PMUMKWKESA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C1CC2(CCC2)C1)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571251725 953319059 /nfs/dbraw/zinc/31/90/59/953319059.db2.gz VLRDJWRVQITJML-ZDUSSCGKSA-N -1 1 384.444 0.298 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCO1 ZINC001571251742 953319580 /nfs/dbraw/zinc/31/95/80/953319580.db2.gz VVVUTHIRXSJWRC-FLTXBFBQSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCO1 ZINC001571251742 953319583 /nfs/dbraw/zinc/31/95/83/953319583.db2.gz VVVUTHIRXSJWRC-FLTXBFBQSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2)[C@@H]1CCCCO1 ZINC001571252230 953325391 /nfs/dbraw/zinc/32/53/91/953325391.db2.gz ZHCNXXFTNCUGEK-YEWDVWPNSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2)[C@@H]1CCCCO1 ZINC001571252230 953325396 /nfs/dbraw/zinc/32/53/96/953325396.db2.gz ZHCNXXFTNCUGEK-YEWDVWPNSA-N -1 1 384.444 0.701 20 0 GCADMM COc1cc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)on1 ZINC001571254733 953342411 /nfs/dbraw/zinc/34/24/11/953342411.db2.gz CGHQSCYQHJXZGF-JTQLQIEISA-N -1 1 385.388 0.678 20 0 GCADMM COc1cc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)on1 ZINC001571254733 953342415 /nfs/dbraw/zinc/34/24/15/953342415.db2.gz CGHQSCYQHJXZGF-JTQLQIEISA-N -1 1 385.388 0.678 20 0 GCADMM COCc1nocc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571255037 953344017 /nfs/dbraw/zinc/34/40/17/953344017.db2.gz FZPOQIRGAFZWBQ-UWVGGRQHSA-N -1 1 385.388 0.506 20 0 GCADMM COCc1nocc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571255037 953344022 /nfs/dbraw/zinc/34/40/22/953344022.db2.gz FZPOQIRGAFZWBQ-UWVGGRQHSA-N -1 1 385.388 0.506 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cc(F)c[nH]2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571255411 953348632 /nfs/dbraw/zinc/34/86/32/953348632.db2.gz ORGSJRTWTZAMOS-ZYHUDNBSSA-N -1 1 385.407 0.899 20 0 GCADMM COc1nc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)co1 ZINC001571255655 953352814 /nfs/dbraw/zinc/35/28/14/953352814.db2.gz KVTINFHNJFILOS-ZJUUUORDSA-N -1 1 385.388 0.359 20 0 GCADMM COc1nc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)co1 ZINC001571255655 953352819 /nfs/dbraw/zinc/35/28/19/953352819.db2.gz KVTINFHNJFILOS-ZJUUUORDSA-N -1 1 385.388 0.359 20 0 GCADMM O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571255884 953357609 /nfs/dbraw/zinc/35/76/09/953357609.db2.gz QTYUKBFWYNSMRD-CYBMUJFWSA-N -1 1 384.831 0.988 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)on1 ZINC001571256287 953368036 /nfs/dbraw/zinc/36/80/36/953368036.db2.gz SCQCMSSKNGSLON-LLVKDONJSA-N -1 1 385.388 0.298 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)on1 ZINC001571256287 953368042 /nfs/dbraw/zinc/36/80/42/953368042.db2.gz SCQCMSSKNGSLON-LLVKDONJSA-N -1 1 385.388 0.298 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571256382 953369193 /nfs/dbraw/zinc/36/91/93/953369193.db2.gz SWYNZSCZKXJQBD-JTQLQIEISA-N -1 1 385.388 0.040 20 0 GCADMM O=C([O-])[C@H]1CC(C(=O)NCc2nnc([C@H]3CCOC3)[nH]2)=NN1c1ccccc1 ZINC001594778094 953608625 /nfs/dbraw/zinc/60/86/25/953608625.db2.gz YOHGNBNAUQKLGJ-SMDDNHRTSA-N -1 1 384.396 0.644 20 0 GCADMM O=C([O-])[C@H]1CC(C(=O)NCc2n[nH]c([C@H]3CCOC3)n2)=NN1c1ccccc1 ZINC001594778094 953608630 /nfs/dbraw/zinc/60/86/30/953608630.db2.gz YOHGNBNAUQKLGJ-SMDDNHRTSA-N -1 1 384.396 0.644 20 0 GCADMM O=C([O-])c1cncc(NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC001594816407 953864796 /nfs/dbraw/zinc/86/47/96/953864796.db2.gz KJELMNPSXFFMFT-HNNXBMFYSA-N -1 1 377.445 0.698 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CNC3(C(=O)[O-])CCOCC3)CC2)C1 ZINC001589325670 953904858 /nfs/dbraw/zinc/90/48/58/953904858.db2.gz JQIFNITXZDCKMK-OAHLLOKOSA-N -1 1 395.500 0.707 20 0 GCADMM C[C@@H]1CN(C(=O)CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)CC(C)(C)O1 ZINC001589374258 954235416 /nfs/dbraw/zinc/23/54/16/954235416.db2.gz CDADGWQXXNIUMK-QLFBSQMISA-N -1 1 378.473 0.936 20 0 GCADMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589395910 954368834 /nfs/dbraw/zinc/36/88/34/954368834.db2.gz ONGWHEMGIUAKDN-RQMAVPSVSA-N -1 1 383.489 0.885 20 0 GCADMM C[C@@H]1CN(CC[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C[C@@H](C)O1 ZINC001589399079 954399910 /nfs/dbraw/zinc/39/99/10/954399910.db2.gz CHNPAOARJORJTF-FVCCEPFGSA-N -1 1 381.395 0.692 20 0 GCADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001594888465 954487970 /nfs/dbraw/zinc/48/79/70/954487970.db2.gz DSCLIWJLFSQFQB-QRTLGDNMSA-N -1 1 388.346 0.637 20 0 GCADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc2nccn2c1 ZINC001594888727 954492890 /nfs/dbraw/zinc/49/28/90/954492890.db2.gz GTHHGNVJEOTFQZ-VHSXEESVSA-N -1 1 385.302 0.466 20 0 GCADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc2nccn2c1 ZINC001594888725 954492970 /nfs/dbraw/zinc/49/29/70/954492970.db2.gz GTHHGNVJEOTFQZ-NXEZZACHSA-N -1 1 385.302 0.466 20 0 GCADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cncc(O)c1 ZINC001594889251 954499641 /nfs/dbraw/zinc/49/96/41/954499641.db2.gz JYSQYSXTHSOXFP-ZYHUDNBSSA-N -1 1 375.303 0.452 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccnc2ccnn21 ZINC001594890196 954512459 /nfs/dbraw/zinc/51/24/59/954512459.db2.gz PHYMFXOMCVKURZ-KCJUWKMLSA-N -1 1 385.302 0.466 20 0 GCADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1csc(CO)n1 ZINC001594891083 954525873 /nfs/dbraw/zinc/52/58/73/954525873.db2.gz SUUXXHPBLHZSHT-RCOVLWMOSA-N -1 1 381.332 0.372 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ncccc1F ZINC001594891832 954537164 /nfs/dbraw/zinc/53/71/64/954537164.db2.gz XMASSMBSVQKWQN-SKDRFNHKSA-N -1 1 377.294 0.886 20 0 GCADMM C[NH+]1CCC(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1 ZINC001593773926 954573568 /nfs/dbraw/zinc/57/35/68/954573568.db2.gz GCSZFHQCRXLNLA-YPMHNXCESA-N -1 1 379.379 0.841 20 0 GCADMM C[NH+]1CCC(CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1 ZINC001593773923 954574016 /nfs/dbraw/zinc/57/40/16/954574016.db2.gz GCSZFHQCRXLNLA-AAEUAGOBSA-N -1 1 379.379 0.841 20 0 GCADMM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC001594897264 954578219 /nfs/dbraw/zinc/57/82/19/954578219.db2.gz WRJWOBKWIBVHNF-RYUDHWBXSA-N -1 1 375.429 0.374 20 0 GCADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3ccn(-c4ccncc4)n3)CC2)C1 ZINC001594897767 954582916 /nfs/dbraw/zinc/58/29/16/954582916.db2.gz PVFTZSYKQCSEJQ-CYBMUJFWSA-N -1 1 383.408 0.805 20 0 GCADMM O=C([O-])[C@H]1CC(C(=O)N2CCSC[C@H]2c2nn[nH]n2)=NN1c1ccccc1 ZINC001594900873 954629648 /nfs/dbraw/zinc/62/96/48/954629648.db2.gz NXWOZKFMWOOWCC-OLZOCXBDSA-N -1 1 387.425 0.536 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)N2CCSC[C@H]2c2nn[nH]n2)=NN1c1ccccc1 ZINC001594900875 954629744 /nfs/dbraw/zinc/62/97/44/954629744.db2.gz NXWOZKFMWOOWCC-STQMWFEESA-N -1 1 387.425 0.536 20 0 GCADMM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@]34COCCN3C(=O)COC4)o2)C1 ZINC001594917133 954768041 /nfs/dbraw/zinc/76/80/41/954768041.db2.gz MSFJPYZVNRCWLK-LIRRHRJNSA-N -1 1 393.440 0.298 20 0 GCADMM O=C([O-])C1CCN(S(=O)(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)CC1 ZINC001594934957 954849364 /nfs/dbraw/zinc/84/93/64/954849364.db2.gz FDEQQNJQZZAORG-CQSZACIVSA-N -1 1 379.442 0.720 20 0 GCADMM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001594957293 954988282 /nfs/dbraw/zinc/98/82/82/954988282.db2.gz FCOWYEXBXJWFMK-ZDUSSCGKSA-N -1 1 384.410 0.102 20 0 GCADMM COC(=O)CCN(CC(=O)[O-])C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC001593839859 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530892678 /nfs/dbraw/zinc/89/26/78/530892678.db2.gz BDYDBRBKVLSUAZ-UHFFFAOYSA-N -1 1 390.491 0.011 20 0 GCADMM CC(C)NS(=O)(=O)CCCCS(=O)(=O)[N-]c1nnc2ccccn21 ZINC000349569341 530893355 /nfs/dbraw/zinc/89/33/55/530893355.db2.gz VOGLCFWCSJXZMO-UHFFFAOYSA-N -1 1 375.476 0.579 20 0 GCADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1 ZINC000505316890 530893449 /nfs/dbraw/zinc/89/34/49/530893449.db2.gz LTUAYYPXQPMFDD-UHFFFAOYSA-N -1 1 379.423 0.716 20 0 GCADMM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000349609213 530911302 /nfs/dbraw/zinc/91/13/02/530911302.db2.gz ZWDKLSQWZNYSRK-AWEZNQCLSA-N -1 1 391.515 0.929 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOC[C@@H]2CCOC2)c(F)c1 ZINC000068942350 530896012 /nfs/dbraw/zinc/89/60/12/530896012.db2.gz ZQAKOHYXPIOFFA-LLVKDONJSA-N -1 1 396.462 0.529 20 0 GCADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CO[C@@H](C)C2)c1C ZINC000349584387 530896501 /nfs/dbraw/zinc/89/65/01/530896501.db2.gz YTVZJGHDXIIFLK-JOYOIKCWSA-N -1 1 380.492 0.255 20 0 GCADMM O=S(=O)(CCCCS(=O)(=O)N1CCSCC1)[N-]c1ccccn1 ZINC000349585504 530897033 /nfs/dbraw/zinc/89/70/33/530897033.db2.gz CYLWBAVTBLZSQV-UHFFFAOYSA-N -1 1 379.529 0.982 20 0 GCADMM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1O)[N-]c1ccccn1 ZINC000349586439 530897235 /nfs/dbraw/zinc/89/72/35/530897235.db2.gz BIJBBGQGACVOHM-STQMWFEESA-N -1 1 377.488 0.436 20 0 GCADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCOC2)c1C ZINC000349589422 530897336 /nfs/dbraw/zinc/89/73/36/530897336.db2.gz HKXZNGGTPHBVKH-CYBMUJFWSA-N -1 1 394.519 0.504 20 0 GCADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCOC2)c1C ZINC000349589423 530897636 /nfs/dbraw/zinc/89/76/36/530897636.db2.gz HKXZNGGTPHBVKH-ZDUSSCGKSA-N -1 1 394.519 0.504 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(COC)c(C(=O)OC)s2)o1 ZINC000511173280 530933671 /nfs/dbraw/zinc/93/36/71/530933671.db2.gz POAFUUQHGAYNEM-UHFFFAOYSA-N -1 1 389.411 0.830 20 0 GCADMM O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[C@H](O)CC1)[N-]c1ccccn1 ZINC000349617768 530912873 /nfs/dbraw/zinc/91/28/73/530912873.db2.gz PUDLBOQFYXBZGO-JOCQHMNTSA-N -1 1 377.488 0.436 20 0 GCADMM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2C[C@H](O)C[C@H]2C)c1C ZINC000349628270 530913711 /nfs/dbraw/zinc/91/37/11/530913711.db2.gz XCFMXBHAEUCHSM-ZWNOBZJWSA-N -1 1 394.519 0.333 20 0 GCADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC(=O)NC(N)=O ZINC000509878217 530922005 /nfs/dbraw/zinc/92/20/05/530922005.db2.gz MTVYJSJLKYOYFZ-UHFFFAOYSA-N -1 1 398.224 0.643 20 0 GCADMM C[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000584729578 530922991 /nfs/dbraw/zinc/92/29/91/530922991.db2.gz CIUFHNPRHFUVPQ-UWVGGRQHSA-N -1 1 386.442 0.668 20 0 GCADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](CO)C(=O)OC ZINC000510031211 530923419 /nfs/dbraw/zinc/92/34/19/530923419.db2.gz TWHKHEAQOMWRCH-SECBINFHSA-N -1 1 386.209 0.592 20 0 GCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000584817702 530924581 /nfs/dbraw/zinc/92/45/81/530924581.db2.gz IUZNEZQECSOPLE-UHFFFAOYSA-N -1 1 388.496 0.982 20 0 GCADMM CCC[C@@H](C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)S(N)(=O)=O ZINC000646638195 530924686 /nfs/dbraw/zinc/92/46/86/530924686.db2.gz KNIURCTUZYFCOG-LBPRGKRZSA-N -1 1 379.460 0.462 20 0 GCADMM CCC[C@H](C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)S(N)(=O)=O ZINC000646638194 530924759 /nfs/dbraw/zinc/92/47/59/530924759.db2.gz KNIURCTUZYFCOG-GFCCVEGCSA-N -1 1 379.460 0.462 20 0 GCADMM Cc1cc(F)c(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000425147666 530939090 /nfs/dbraw/zinc/93/90/90/530939090.db2.gz YWOQEMQEVHKFNI-SNVBAGLBSA-N -1 1 396.437 0.245 20 0 GCADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)[C@@H]1CCCOC1 ZINC000512453597 530943509 /nfs/dbraw/zinc/94/35/09/530943509.db2.gz JDKHHIDPBOXGJQ-ZWNOBZJWSA-N -1 1 375.399 0.703 20 0 GCADMM NC(=O)[C@H]1CN(C(=O)c2cc(I)ccc2[O-])CCO1 ZINC000195304761 530950778 /nfs/dbraw/zinc/95/07/78/530950778.db2.gz UPOYPDKTFHEHLC-SNVBAGLBSA-N -1 1 376.150 0.323 20 0 GCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2CCN(S(C)(=O)=O)CC2)o1 ZINC000513849656 530951489 /nfs/dbraw/zinc/95/14/89/530951489.db2.gz CVHPPBDPBZWNDZ-UHFFFAOYSA-N -1 1 394.471 0.406 20 0 GCADMM O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(I)c([O-])c1 ZINC000230886779 530981023 /nfs/dbraw/zinc/98/10/23/530981023.db2.gz JHMRAAPDIXMGNB-QMMMGPOBSA-N -1 1 381.191 0.914 20 0 GCADMM COc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1[N-]S(C)(=O)=O ZINC000033001325 530981359 /nfs/dbraw/zinc/98/13/59/530981359.db2.gz NSOSPAWOFCDHIP-LBPRGKRZSA-N -1 1 391.471 0.429 20 0 GCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCSc2ccccc2)o1 ZINC000525179278 530992748 /nfs/dbraw/zinc/99/27/48/530992748.db2.gz OCJYDAAOLLQFIO-UHFFFAOYSA-N -1 1 383.451 0.565 20 0 GCADMM Cc1nc(S(=O)(=O)[N-][C@H](C)CN2CCCC2=O)c(Br)n1C ZINC000286806782 530992896 /nfs/dbraw/zinc/99/28/96/530992896.db2.gz ZHGPHJQIBKXMES-MRVPVSSYSA-N -1 1 379.280 0.780 20 0 GCADMM NC(=O)C1(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000648837523 530995290 /nfs/dbraw/zinc/99/52/90/530995290.db2.gz VDMJGWDGFVRPHE-UHFFFAOYSA-N -1 1 380.253 0.796 20 0 GCADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1C[C@@H](O)C[C@@H]1CO ZINC000648843330 530997170 /nfs/dbraw/zinc/99/71/70/530997170.db2.gz HRSQKGIWBATAIC-BDAKNGLRSA-N -1 1 383.253 0.226 20 0 GCADMM COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000611603614 530997296 /nfs/dbraw/zinc/99/72/96/530997296.db2.gz JGHRANWIECHWDP-UHFFFAOYSA-N -1 1 383.162 0.004 20 0 GCADMM CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000025206447 530997944 /nfs/dbraw/zinc/99/79/44/530997944.db2.gz CWLGCPNZETYNJX-UHFFFAOYSA-N -1 1 392.275 0.719 20 0 GCADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000324538843 530985882 /nfs/dbraw/zinc/98/58/82/530985882.db2.gz BWYONTSGDJNMOF-UHFFFAOYSA-N -1 1 375.472 0.149 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Br)ccc1-n1cnnn1)c1nn[n-]n1 ZINC000613475500 530987997 /nfs/dbraw/zinc/98/79/97/530987997.db2.gz PQKAMHGKLLMHLK-QMMMGPOBSA-N -1 1 392.221 0.814 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Br)ccc1-n1cnnn1)c1nn[n-]n1 ZINC000613475494 530988245 /nfs/dbraw/zinc/98/82/45/530988245.db2.gz PQKAMHGKLLMHLK-MRVPVSSYSA-N -1 1 392.221 0.814 20 0 GCADMM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000613553913 530989598 /nfs/dbraw/zinc/98/95/98/530989598.db2.gz ARSHATHYOYYXIP-WRWORJQWSA-N -1 1 390.828 0.526 20 0 GCADMM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCOCC2)c(Br)n1C ZINC000286632649 530990658 /nfs/dbraw/zinc/99/06/58/530990658.db2.gz NFBLBZVCFCADOE-UHFFFAOYSA-N -1 1 395.279 0.018 20 0 GCADMM CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424063194 531020075 /nfs/dbraw/zinc/02/00/75/531020075.db2.gz HXKLVCJTVASPGP-UHFFFAOYSA-N -1 1 377.488 0.805 20 0 GCADMM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)C[C@@]1(C)CO ZINC000662855625 531026280 /nfs/dbraw/zinc/02/62/80/531026280.db2.gz XXTRBHQQRNNNFA-ZFWWWQNUSA-N -1 1 391.515 0.494 20 0 GCADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2[C@H](C)O)n1 ZINC000662854283 531026322 /nfs/dbraw/zinc/02/63/22/531026322.db2.gz LCYDXSWISLCWIQ-UONOGXRCSA-N -1 1 391.515 0.697 20 0 GCADMM CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000328110604 531027280 /nfs/dbraw/zinc/02/72/80/531027280.db2.gz YOEZBYQMIUQAEU-UHFFFAOYSA-N -1 1 389.861 0.433 20 0 GCADMM CC(C)S(=O)(=O)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000614710060 531032754 /nfs/dbraw/zinc/03/27/54/531032754.db2.gz ZDGOGUUCMILXHU-UHFFFAOYSA-N -1 1 390.483 0.938 20 0 GCADMM NS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000614042694 531004834 /nfs/dbraw/zinc/00/48/34/531004834.db2.gz DTGKKSPRFDGJJU-UHFFFAOYSA-N -1 1 383.451 0.506 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(Cl)cn2)C[C@@H]1O ZINC000349529750 531061287 /nfs/dbraw/zinc/06/12/87/531061287.db2.gz WOPLTQCEVWIBRH-PWSUYJOCSA-N -1 1 397.906 0.509 20 0 GCADMM CC(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H](O)C2)n[nH]1 ZINC000349529770 531061629 /nfs/dbraw/zinc/06/16/29/531061629.db2.gz WRGLVVYJPJDRDC-WCQYABFASA-N -1 1 394.519 0.307 20 0 GCADMM CCS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CC1 ZINC000542743312 531068792 /nfs/dbraw/zinc/06/87/92/531068792.db2.gz ZJNVKBAVLYNHAV-UHFFFAOYSA-N -1 1 394.471 0.406 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)co1 ZINC000542490345 531066457 /nfs/dbraw/zinc/06/64/57/531066457.db2.gz CCZMYRPSFWTZSQ-UHFFFAOYSA-N -1 1 388.423 0.206 20 0 GCADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000107659765 531037132 /nfs/dbraw/zinc/03/71/32/531037132.db2.gz MZGGWSALQKQODB-UHFFFAOYSA-N -1 1 385.423 0.889 20 0 GCADMM COc1cc(NC(=O)NC[C@@H](C)S(C)(=O)=O)ccc1[N-]S(C)(=O)=O ZINC000533138991 531037257 /nfs/dbraw/zinc/03/72/57/531037257.db2.gz GJEVVFGOLUPDDF-SECBINFHSA-N -1 1 379.460 0.621 20 0 GCADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1S(N)(=O)=O ZINC000539783200 531044198 /nfs/dbraw/zinc/04/41/98/531044198.db2.gz HZWNBDMUISQPFV-UHFFFAOYSA-N -1 1 386.407 0.872 20 0 GCADMM CNS(=O)(=O)c1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C)o1 ZINC000540051257 531046128 /nfs/dbraw/zinc/04/61/28/531046128.db2.gz WOZNTTVHGGTUEX-UHFFFAOYSA-N -1 1 389.411 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COCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000629331190 531165867 /nfs/dbraw/zinc/16/58/67/531165867.db2.gz KNZMWHBNJVIXDY-AWEZNQCLSA-N -1 1 392.499 0.922 20 0 GCADMM COc1cc(OC)c(NC(=O)C(=O)NCc2nn[n-]n2)cc1Br ZINC000681720612 531168810 /nfs/dbraw/zinc/16/88/10/531168810.db2.gz VZOMSXPJRXIGIF-UHFFFAOYSA-N -1 1 385.178 0.234 20 0 GCADMM Cc1ncc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2F)n1C ZINC000629350560 531169424 /nfs/dbraw/zinc/16/94/24/531169424.db2.gz SHCSIDHWELXDNN-UHFFFAOYSA-N -1 1 376.435 0.919 20 0 GCADMM COC(=O)CC1(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC1 ZINC000440501600 531174061 /nfs/dbraw/zinc/17/40/61/531174061.db2.gz QJMIFOLUXFUHBW-UHFFFAOYSA-N -1 1 387.424 0.780 20 0 GCADMM CO[C@]1(C)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1(C)C ZINC000565227897 531180684 /nfs/dbraw/zinc/18/06/84/531180684.db2.gz MDNUXAFBQXBNKF-BXUZGUMPSA-N -1 1 394.519 0.665 20 0 GCADMM CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)[C@@H]1C1CC1 ZINC000565229915 531181453 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-1 1 380.463 0.064 20 0 GCADMM CC[C@H](CO)N(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1 ZINC000566478004 531198438 /nfs/dbraw/zinc/19/84/38/531198438.db2.gz BLUIAIHAMRIEQC-LLVKDONJSA-N -1 1 388.471 0.602 20 0 GCADMM COC(=O)c1ccc(=O)n(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)n1 ZINC000736951649 598824649 /nfs/dbraw/zinc/82/46/49/598824649.db2.gz QYZGZMBUEVNARE-UHFFFAOYSA-N -1 1 392.379 0.752 20 0 GCADMM CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000735944237 598835583 /nfs/dbraw/zinc/83/55/83/598835583.db2.gz ZPMDXZKAFITXRE-UHFFFAOYSA-N -1 1 388.457 0.866 20 0 GCADMM CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000735944237 598835584 /nfs/dbraw/zinc/83/55/84/598835584.db2.gz ZPMDXZKAFITXRE-UHFFFAOYSA-N -1 1 388.457 0.866 20 0 GCADMM CO[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(F)(F)F ZINC000736961180 598841782 /nfs/dbraw/zinc/84/17/82/598841782.db2.gz JQNOVMKUEQBMKU-SSDOTTSWSA-N -1 1 378.336 0.996 20 0 GCADMM O=C(CN1CC(=O)NC1=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737879661 598847442 /nfs/dbraw/zinc/84/74/42/598847442.db2.gz WRCJLMDOKPJEQC-UHFFFAOYSA-N -1 1 397.420 0.763 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCN1C(=O)CCC1=O ZINC000737549276 598868967 /nfs/dbraw/zinc/86/89/67/598868967.db2.gz ULSQFHFMZDUDDV-UHFFFAOYSA-N -1 1 383.368 0.438 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCN1C(=O)CCC1=O ZINC000737549276 598868968 /nfs/dbraw/zinc/86/89/68/598868968.db2.gz ULSQFHFMZDUDDV-UHFFFAOYSA-N -1 1 383.368 0.438 20 0 GCADMM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736779979 598874070 /nfs/dbraw/zinc/87/40/70/598874070.db2.gz NGIRLGGNUAFBLH-MRVPVSSYSA-N -1 1 391.862 0.328 20 0 GCADMM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736779979 598874072 /nfs/dbraw/zinc/87/40/72/598874072.db2.gz NGIRLGGNUAFBLH-MRVPVSSYSA-N -1 1 391.862 0.328 20 0 GCADMM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736869934 598874539 /nfs/dbraw/zinc/87/45/39/598874539.db2.gz DFSPZLIZXYXAKH-VIFPVBQESA-N -1 1 384.849 0.667 20 0 GCADMM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736869934 598874540 /nfs/dbraw/zinc/87/45/40/598874540.db2.gz DFSPZLIZXYXAKH-VIFPVBQESA-N -1 1 384.849 0.667 20 0 GCADMM Cc1nnc2n1CCN(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C2 ZINC000737535251 598875611 /nfs/dbraw/zinc/87/56/11/598875611.db2.gz XKTHVHMXHFFBEB-UHFFFAOYSA-N -1 1 380.821 0.625 20 0 GCADMM Cc1nnc2n1CCN(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C2 ZINC000737535251 598875613 /nfs/dbraw/zinc/87/56/13/598875613.db2.gz XKTHVHMXHFFBEB-UHFFFAOYSA-N -1 1 380.821 0.625 20 0 GCADMM O=C(Cn1cnnc1-c1nn[n-]n1)Nc1ccc(I)cc1 ZINC000737988108 598876199 /nfs/dbraw/zinc/87/61/99/598876199.db2.gz GEUXNXLPXJLNAP-UHFFFAOYSA-N -1 1 396.152 0.702 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCn2ccnc2C1 ZINC000737488243 598893831 /nfs/dbraw/zinc/89/38/31/598893831.db2.gz SHSPMWQNFTVCTC-UHFFFAOYSA-N -1 1 392.427 0.698 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCn2ccnc2C1 ZINC000737488243 598893833 /nfs/dbraw/zinc/89/38/33/598893833.db2.gz SHSPMWQNFTVCTC-UHFFFAOYSA-N -1 1 392.427 0.698 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCOCCO ZINC000737486792 598896858 /nfs/dbraw/zinc/89/68/58/598896858.db2.gz FCRRZGRTJSVCDT-UHFFFAOYSA-N -1 1 375.389 0.011 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCOCCO ZINC000737486792 598896859 /nfs/dbraw/zinc/89/68/59/598896859.db2.gz FCRRZGRTJSVCDT-UHFFFAOYSA-N -1 1 375.389 0.011 20 0 GCADMM Cc1oc(NC(=O)COC(=O)CNC(=O)c2ccccn2)c(-c2nn[n-]n2)c1C ZINC000737551138 598902578 /nfs/dbraw/zinc/90/25/78/598902578.db2.gz GARAYBKQPAWCOP-UHFFFAOYSA-N -1 1 399.367 0.383 20 0 GCADMM O=C(COC(=O)C[C@H]1CCOC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737905741 598904191 /nfs/dbraw/zinc/90/41/91/598904191.db2.gz UWHPKWBTLKEHQG-GFCCVEGCSA-N -1 1 397.395 0.961 20 0 GCADMM O=C(COC(=O)C[C@H]1CCOC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737905741 598904193 /nfs/dbraw/zinc/90/41/93/598904193.db2.gz UWHPKWBTLKEHQG-GFCCVEGCSA-N -1 1 397.395 0.961 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O ZINC000736714155 598912740 /nfs/dbraw/zinc/91/27/40/598912740.db2.gz OSGNWKDJBHCHHT-NSHDSACASA-N -1 1 391.432 0.467 20 0 GCADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-n2cncn2)nc1 ZINC000737301757 598930647 /nfs/dbraw/zinc/93/06/47/598930647.db2.gz SIAJWEQVEMSLBQ-UHFFFAOYSA-N -1 1 383.397 0.952 20 0 GCADMM O=C(C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC000737792382 598935379 /nfs/dbraw/zinc/93/53/79/598935379.db2.gz POUSPBGMZRAMDX-UHFFFAOYSA-N -1 1 394.439 0.885 20 0 GCADMM O=C(C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC000737792382 598935381 /nfs/dbraw/zinc/93/53/81/598935381.db2.gz POUSPBGMZRAMDX-UHFFFAOYSA-N -1 1 394.439 0.885 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736747216 598959597 /nfs/dbraw/zinc/95/95/97/598959597.db2.gz PRZONOGFKGCTAS-GHMZBOCLSA-N -1 1 379.446 0.187 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736747216 598959598 /nfs/dbraw/zinc/95/95/98/598959598.db2.gz PRZONOGFKGCTAS-GHMZBOCLSA-N -1 1 379.446 0.187 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCN(C(C)C)C2=O)cc1-c1nn[n-]n1 ZINC000737187735 598964747 /nfs/dbraw/zinc/96/47/47/598964747.db2.gz SPYKMZITOROLJX-SNVBAGLBSA-N -1 1 377.430 0.428 20 0 GCADMM Cc1c([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cccc1-c1nn[nH]n1 ZINC000822129753 607255402 /nfs/dbraw/zinc/25/54/02/607255402.db2.gz OFAMWROXYINRSA-UHFFFAOYSA-N -1 1 394.438 0.623 20 0 GCADMM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C[C@@H]2O ZINC000737109938 598985534 /nfs/dbraw/zinc/98/55/34/598985534.db2.gz PWRKOBRDBRAOPY-ZDUSSCGKSA-N -1 1 382.380 0.968 20 0 GCADMM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C[C@@H]2O ZINC000737109938 598985535 /nfs/dbraw/zinc/98/55/35/598985535.db2.gz PWRKOBRDBRAOPY-ZDUSSCGKSA-N -1 1 382.380 0.968 20 0 GCADMM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738179599 598994491 /nfs/dbraw/zinc/99/44/91/598994491.db2.gz YGSJVLDHNGQHAR-UHFFFAOYSA-N -1 1 379.380 0.986 20 0 GCADMM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738179599 598994493 /nfs/dbraw/zinc/99/44/93/598994493.db2.gz YGSJVLDHNGQHAR-UHFFFAOYSA-N -1 1 379.380 0.986 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000737549672 598995672 /nfs/dbraw/zinc/99/56/72/598995672.db2.gz WOCHXJCFRHLVMA-JQWIXIFHSA-N -1 1 396.473 0.770 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(-n2cncn2)cc1 ZINC000737892699 599002320 /nfs/dbraw/zinc/00/23/20/599002320.db2.gz ZFPRJTVOQRYWKU-UHFFFAOYSA-N -1 1 390.367 0.211 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(-n2cncn2)cc1 ZINC000737892699 599002323 /nfs/dbraw/zinc/00/23/23/599002323.db2.gz ZFPRJTVOQRYWKU-UHFFFAOYSA-N -1 1 390.367 0.211 20 0 GCADMM Cc1oc(NC(=O)COC(=O)[C@@H](O)C2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000737551584 599017052 /nfs/dbraw/zinc/01/70/52/599017052.db2.gz JGIIBORXNKJTEV-ZDUSSCGKSA-N -1 1 379.373 0.346 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737117564 599019841 /nfs/dbraw/zinc/01/98/41/599019841.db2.gz ZGZDGVGSWZKSMF-UHFFFAOYSA-N -1 1 375.370 0.170 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737117564 599019842 /nfs/dbraw/zinc/01/98/42/599019842.db2.gz ZGZDGVGSWZKSMF-UHFFFAOYSA-N -1 1 375.370 0.170 20 0 GCADMM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736265473 599020883 /nfs/dbraw/zinc/02/08/83/599020883.db2.gz BGIFOYNUNFHKIW-CQSZACIVSA-N -1 1 398.471 0.421 20 0 GCADMM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736265473 599020886 /nfs/dbraw/zinc/02/08/86/599020886.db2.gz BGIFOYNUNFHKIW-CQSZACIVSA-N -1 1 398.471 0.421 20 0 GCADMM C[C@@]1(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)NC(=O)NC1=O ZINC000736225068 599022182 /nfs/dbraw/zinc/02/21/82/599022182.db2.gz VEZCLLVFNVGXCQ-KRWDZBQOSA-N -1 1 378.352 0.569 20 0 GCADMM C[C@@]1(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)NC(=O)NC1=O ZINC000736225068 599022184 /nfs/dbraw/zinc/02/21/84/599022184.db2.gz VEZCLLVFNVGXCQ-KRWDZBQOSA-N -1 1 378.352 0.569 20 0 GCADMM O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738183861 599023581 /nfs/dbraw/zinc/02/35/81/599023581.db2.gz OVXGUWUQIWSTJM-UHFFFAOYSA-N -1 1 378.352 0.566 20 0 GCADMM O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738183861 599023583 /nfs/dbraw/zinc/02/35/83/599023583.db2.gz OVXGUWUQIWSTJM-UHFFFAOYSA-N -1 1 378.352 0.566 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000738259215 599029978 /nfs/dbraw/zinc/02/99/78/599029978.db2.gz OCBHEEWUHMLNFA-QGZVFWFLSA-N -1 1 379.424 0.753 20 0 GCADMM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737994637 599031554 /nfs/dbraw/zinc/03/15/54/599031554.db2.gz DNJWQKRGSKDHTA-KRWDZBQOSA-N -1 1 393.451 0.935 20 0 GCADMM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737994637 599031556 /nfs/dbraw/zinc/03/15/56/599031556.db2.gz DNJWQKRGSKDHTA-KRWDZBQOSA-N -1 1 393.451 0.935 20 0 GCADMM C[C@H]1CCCCN1S(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000820703363 599052921 /nfs/dbraw/zinc/05/29/21/599052921.db2.gz DZKVOWUCSXASRJ-ZDUSSCGKSA-N -1 1 392.489 0.503 20 0 GCADMM C[C@H]1CCCCN1S(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000820703363 599052923 /nfs/dbraw/zinc/05/29/23/599052923.db2.gz DZKVOWUCSXASRJ-ZDUSSCGKSA-N -1 1 392.489 0.503 20 0 GCADMM COc1cccc(O[C@@H](C)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000821871741 599062279 /nfs/dbraw/zinc/06/22/79/599062279.db2.gz CWCJSDOSQHOWPK-JTQLQIEISA-N -1 1 387.400 0.152 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](COCc3ccccc3)C2)n(C)c1=O ZINC000822599527 599063321 /nfs/dbraw/zinc/06/33/21/599063321.db2.gz DGMJCNYTQOLJSN-CQSZACIVSA-N -1 1 397.439 0.307 20 0 GCADMM C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccccc1F ZINC000820275714 599066624 /nfs/dbraw/zinc/06/66/24/599066624.db2.gz QZSDITFCOQAKKC-SECBINFHSA-N -1 1 375.364 0.283 20 0 GCADMM C[C@H]1C[C@H](c2ccccc2F)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000820665265 599076608 /nfs/dbraw/zinc/07/66/08/599076608.db2.gz FFXGMWCGBSJRSK-GXFFZTMASA-N -1 1 385.403 0.991 20 0 GCADMM CC(=O)Nc1ccc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(F)c1 ZINC000819817726 599084646 /nfs/dbraw/zinc/08/46/46/599084646.db2.gz KQBKYKIDTQPCRB-UHFFFAOYSA-N -1 1 375.320 0.154 20 0 GCADMM C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccc(Cl)cc1 ZINC000820275354 599091443 /nfs/dbraw/zinc/09/14/43/599091443.db2.gz PEWDMKQNPDATRX-SECBINFHSA-N -1 1 391.819 0.797 20 0 GCADMM CCc1ccc(N2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000821487126 599099088 /nfs/dbraw/zinc/09/90/88/599099088.db2.gz RUAJRPSKQODOME-UHFFFAOYSA-N -1 1 396.455 0.153 20 0 GCADMM CCn1nc2c(cc1=O)CN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000821568406 599102986 /nfs/dbraw/zinc/10/29/86/599102986.db2.gz SPJRPDPHKOAAIF-UHFFFAOYSA-N -1 1 375.396 0.949 20 0 GCADMM CCn1nc2c(cc1=O)CN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000821568406 599102988 /nfs/dbraw/zinc/10/29/88/599102988.db2.gz SPJRPDPHKOAAIF-UHFFFAOYSA-N -1 1 375.396 0.949 20 0 GCADMM Cc1cccc2oc(CCNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)nc21 ZINC000822341040 599111459 /nfs/dbraw/zinc/11/14/59/599111459.db2.gz RTRDEUXHQWYOSV-UHFFFAOYSA-N -1 1 382.384 0.368 20 0 GCADMM CCO[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCCC2 ZINC000736611888 599120017 /nfs/dbraw/zinc/12/00/17/599120017.db2.gz KPHAWDCQKQIWPC-NEPJUHHUSA-N -1 1 389.460 0.804 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@@H](C)[C@@H](C)O)CC2)o1 ZINC000822422900 599131777 /nfs/dbraw/zinc/13/17/77/599131777.db2.gz FYKGAVAQGWOTPA-ZJUUUORDSA-N -1 1 381.462 0.314 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCc1ccc2c(c1)OCO2 ZINC000737909710 599139826 /nfs/dbraw/zinc/13/98/26/599139826.db2.gz XRZGRQZUHJXMSU-UHFFFAOYSA-N -1 1 382.336 0.464 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCc1ccc2c(c1)OCO2 ZINC000737909710 599139827 /nfs/dbraw/zinc/13/98/27/599139827.db2.gz XRZGRQZUHJXMSU-UHFFFAOYSA-N -1 1 382.336 0.464 20 0 GCADMM CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736596264 599138896 /nfs/dbraw/zinc/13/88/96/599138896.db2.gz ZOMONDKDWVZDLR-UHFFFAOYSA-N -1 1 388.384 0.220 20 0 GCADMM CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736596264 599138898 /nfs/dbraw/zinc/13/88/98/599138898.db2.gz ZOMONDKDWVZDLR-UHFFFAOYSA-N -1 1 388.384 0.220 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)NCC(F)(F)F ZINC000736156920 599140800 /nfs/dbraw/zinc/14/08/00/599140800.db2.gz FZLLTQQKEVDIFL-ZCFIWIBFSA-N -1 1 387.278 0.195 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)NCC(F)(F)F ZINC000736156920 599140802 /nfs/dbraw/zinc/14/08/02/599140802.db2.gz FZLLTQQKEVDIFL-ZCFIWIBFSA-N -1 1 387.278 0.195 20 0 GCADMM NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737770363 599143142 /nfs/dbraw/zinc/14/31/42/599143142.db2.gz VEWFLFNXZHCWAF-UHFFFAOYSA-N -1 1 390.381 0.145 20 0 GCADMM NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737770363 599143144 /nfs/dbraw/zinc/14/31/44/599143144.db2.gz VEWFLFNXZHCWAF-UHFFFAOYSA-N -1 1 390.381 0.145 20 0 GCADMM COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736895613 599143177 /nfs/dbraw/zinc/14/31/77/599143177.db2.gz YUOWEHMFBAHVKY-GFCCVEGCSA-N -1 1 376.373 0.122 20 0 GCADMM COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736895613 599143178 /nfs/dbraw/zinc/14/31/78/599143178.db2.gz YUOWEHMFBAHVKY-GFCCVEGCSA-N -1 1 376.373 0.122 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)Nc2sc(C)c(C)c2C)c1=O ZINC000736713729 599161585 /nfs/dbraw/zinc/16/15/85/599161585.db2.gz MTOUFERYWGREOM-UHFFFAOYSA-N -1 1 389.441 0.835 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000822004882 599206870 /nfs/dbraw/zinc/20/68/70/599206870.db2.gz MBJCMEQYYABFPM-IUPBHXKESA-N -1 1 399.455 0.642 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737549508 599209483 /nfs/dbraw/zinc/20/94/83/599209483.db2.gz WCICWPCOZIDVLN-ONGXEEELSA-N -1 1 397.461 0.027 20 0 GCADMM C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(C(=O)[O-])CC1 ZINC000739192037 596922097 /nfs/dbraw/zinc/92/20/97/596922097.db2.gz UFUCYSCBQYEGGS-NSHDSACASA-N -1 1 381.454 0.408 20 0 GCADMM CCn1ccnc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1=O ZINC000825805225 608290868 /nfs/dbraw/zinc/29/08/68/608290868.db2.gz XZQZNSLUKIPOAR-UHFFFAOYSA-N -1 1 383.416 0.635 20 0 GCADMM Cc1cnn(-c2ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc2F)c1 ZINC000534049683 596977821 /nfs/dbraw/zinc/97/78/21/596977821.db2.gz JYAWGKSYILTUMG-UHFFFAOYSA-N -1 1 384.433 0.957 20 0 GCADMM COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000818606833 597002351 /nfs/dbraw/zinc/00/23/51/597002351.db2.gz CPSBJSSTCRRZNQ-NSHDSACASA-N -1 1 387.458 0.679 20 0 GCADMM COc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1C(=O)N(C)C ZINC000739928669 597028163 /nfs/dbraw/zinc/02/81/63/597028163.db2.gz GOAFDFGOKHUPTR-UHFFFAOYSA-N -1 1 387.458 0.034 20 0 GCADMM CC(C)[C@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)C(=O)[O-] ZINC000817956515 597036996 /nfs/dbraw/zinc/03/69/96/597036996.db2.gz GZMHENBRLATHQN-INIZCTEOSA-N -1 1 376.457 0.598 20 0 GCADMM CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)C(=O)[O-] ZINC000817926051 597218447 /nfs/dbraw/zinc/21/84/47/597218447.db2.gz GZMHENBRLATHQN-MRXNPFEDSA-N -1 1 376.457 0.598 20 0 GCADMM CN(C)S(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000736770508 599267590 /nfs/dbraw/zinc/26/75/90/599267590.db2.gz MBQFGAKWRVINEQ-UHFFFAOYSA-N -1 1 388.457 0.343 20 0 GCADMM CN(C)S(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000736770508 599267591 /nfs/dbraw/zinc/26/75/91/599267591.db2.gz MBQFGAKWRVINEQ-UHFFFAOYSA-N -1 1 388.457 0.343 20 0 GCADMM CC(=O)NCCN(C(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21)[C@H](C)C(=O)[O-] ZINC000262174573 597692304 /nfs/dbraw/zinc/69/23/04/597692304.db2.gz DRGDWPBQPPLVJF-GHMZBOCLSA-N -1 1 389.412 0.119 20 0 GCADMM CCc1nn([C@@H]2CCN(CC(F)(F)F)C2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706695 599290303 /nfs/dbraw/zinc/29/03/03/599290303.db2.gz ZAJCPFOFJFGTPW-SNVBAGLBSA-N -1 1 385.350 0.884 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1nncn1C ZINC000822459773 607322946 /nfs/dbraw/zinc/32/29/46/607322946.db2.gz VWSBDTUHKSNFBB-UHFFFAOYSA-N -1 1 382.388 0.331 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1nncn1C ZINC000822459773 607322947 /nfs/dbraw/zinc/32/29/47/607322947.db2.gz VWSBDTUHKSNFBB-UHFFFAOYSA-N -1 1 382.388 0.331 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820449676 607324113 /nfs/dbraw/zinc/32/41/13/607324113.db2.gz AGPNTAPIAMTCEI-QMMMGPOBSA-N -1 1 394.438 0.939 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(CC(=O)[O-])C(C)C)cc2)[nH]1 ZINC000738035625 598074297 /nfs/dbraw/zinc/07/42/97/598074297.db2.gz OMUJMSDSVKRVQJ-UHFFFAOYSA-N -1 1 375.381 0.816 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000821970949 607325351 /nfs/dbraw/zinc/32/53/51/607325351.db2.gz ULFASOTVDVMTRU-KCJUWKMLSA-N -1 1 379.446 0.138 20 0 GCADMM Cc1nc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])sc1Br ZINC000821176264 598161658 /nfs/dbraw/zinc/16/16/58/598161658.db2.gz PGJRQNXOAYXPCK-UHFFFAOYSA-N -1 1 386.293 0.851 20 0 GCADMM CC(C)COC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccco1 ZINC000735838665 598244279 /nfs/dbraw/zinc/24/42/79/598244279.db2.gz SRKDBBZSMYPNQK-LLVKDONJSA-N -1 1 389.416 0.683 20 0 GCADMM Cc1ccn(CC(=O)Nc2cccc(C(=O)N(C)C)c2)c(=O)c1-c1nn[n-]n1 ZINC000822370430 607348423 /nfs/dbraw/zinc/34/84/23/607348423.db2.gz XPTWBLUDDFZOHG-UHFFFAOYSA-N -1 1 381.396 0.677 20 0 GCADMM COc1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737089962 598259472 /nfs/dbraw/zinc/25/94/72/598259472.db2.gz BMIICRODNRGEFW-UHFFFAOYSA-N -1 1 390.425 0.800 20 0 GCADMM COc1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737089962 598259474 /nfs/dbraw/zinc/25/94/74/598259474.db2.gz BMIICRODNRGEFW-UHFFFAOYSA-N -1 1 390.425 0.800 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000738356134 598259816 /nfs/dbraw/zinc/25/98/16/598259816.db2.gz XEWYSGFKVRJWBM-UHFFFAOYSA-N -1 1 385.453 0.768 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000738356134 598259818 /nfs/dbraw/zinc/25/98/18/598259818.db2.gz XEWYSGFKVRJWBM-UHFFFAOYSA-N -1 1 385.453 0.768 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCN2CCOC[C@H]2C)cc1-c1nn[n-]n1 ZINC000737185638 598260228 /nfs/dbraw/zinc/26/02/28/598260228.db2.gz ABTVIRXOQHGVHI-SECBINFHSA-N -1 1 379.446 0.140 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2cccs2)CC1 ZINC000738353735 598261731 /nfs/dbraw/zinc/26/17/31/598261731.db2.gz GCLYMSIQROHEKL-UHFFFAOYSA-N -1 1 391.482 0.830 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2cccs2)CC1 ZINC000738353735 598261733 /nfs/dbraw/zinc/26/17/33/598261733.db2.gz GCLYMSIQROHEKL-UHFFFAOYSA-N -1 1 391.482 0.830 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000737186910 598262502 /nfs/dbraw/zinc/26/25/02/598262502.db2.gz LNVNYRYDKQZWCK-ZJUUUORDSA-N -1 1 393.473 0.528 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(CC(F)(F)F)CC1 ZINC000738355766 598262786 /nfs/dbraw/zinc/26/27/86/598262786.db2.gz RXSGWLICMJBEID-UHFFFAOYSA-N -1 1 377.352 0.130 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(CC(F)(F)F)CC1 ZINC000738355766 598262787 /nfs/dbraw/zinc/26/27/87/598262787.db2.gz RXSGWLICMJBEID-UHFFFAOYSA-N -1 1 377.352 0.130 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736911801 598265485 /nfs/dbraw/zinc/26/54/85/598265485.db2.gz WLIJVKFLJXVMQV-BPNCWPANSA-N -1 1 392.441 0.757 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736911801 598265486 /nfs/dbraw/zinc/26/54/86/598265486.db2.gz WLIJVKFLJXVMQV-BPNCWPANSA-N -1 1 392.441 0.757 20 0 GCADMM CN(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736731430 598265664 /nfs/dbraw/zinc/26/56/64/598265664.db2.gz CXEFTTHODWGTAQ-UHFFFAOYSA-N -1 1 393.473 0.673 20 0 GCADMM CN(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736731430 598265665 /nfs/dbraw/zinc/26/56/65/598265665.db2.gz CXEFTTHODWGTAQ-UHFFFAOYSA-N -1 1 393.473 0.673 20 0 GCADMM O=S(=O)(NCc1cccnc1-n1cccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345906 598266393 /nfs/dbraw/zinc/26/63/93/598266393.db2.gz RBJSJBDFFJYLRL-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(NCc1cccnc1-n1cccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345906 598266394 /nfs/dbraw/zinc/26/63/94/598266394.db2.gz RBJSJBDFFJYLRL-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM CC(C)c1noc(CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000735951957 598268116 /nfs/dbraw/zinc/26/81/16/598268116.db2.gz APCNNZIROQMBHF-UHFFFAOYSA-N -1 1 378.418 0.679 20 0 GCADMM CC(C)c1noc(CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000735951957 598268117 /nfs/dbraw/zinc/26/81/17/598268117.db2.gz APCNNZIROQMBHF-UHFFFAOYSA-N -1 1 378.418 0.679 20 0 GCADMM O=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344211 598269417 /nfs/dbraw/zinc/26/94/17/598269417.db2.gz CBDOQAJCKTTWHI-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM O=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344211 598269418 /nfs/dbraw/zinc/26/94/18/598269418.db2.gz CBDOQAJCKTTWHI-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM CCCCNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736457309 598269982 /nfs/dbraw/zinc/26/99/82/598269982.db2.gz MOTPTVCWRFJEOL-LBPRGKRZSA-N -1 1 397.486 0.242 20 0 GCADMM CCCCNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736457309 598269983 /nfs/dbraw/zinc/26/99/83/598269983.db2.gz MOTPTVCWRFJEOL-LBPRGKRZSA-N -1 1 397.486 0.242 20 0 GCADMM O=C(NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000738066979 598270904 /nfs/dbraw/zinc/27/09/04/598270904.db2.gz WDQFDKKMAXESNU-UHFFFAOYSA-N -1 1 393.454 0.422 20 0 GCADMM O=C(NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000738066979 598270907 /nfs/dbraw/zinc/27/09/07/598270907.db2.gz WDQFDKKMAXESNU-UHFFFAOYSA-N -1 1 393.454 0.422 20 0 GCADMM CCCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736472864 598271153 /nfs/dbraw/zinc/27/11/53/598271153.db2.gz VBJTVBNMPMWMBR-GFCCVEGCSA-N -1 1 397.486 0.194 20 0 GCADMM CCCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736472864 598271155 /nfs/dbraw/zinc/27/11/55/598271155.db2.gz VBJTVBNMPMWMBR-GFCCVEGCSA-N -1 1 397.486 0.194 20 0 GCADMM O=C(NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000738067089 598272455 /nfs/dbraw/zinc/27/24/55/598272455.db2.gz ZIZXQLXAWCLYAT-UHFFFAOYSA-N -1 1 387.425 0.360 20 0 GCADMM O=C(NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000738067089 598272457 /nfs/dbraw/zinc/27/24/57/598272457.db2.gz ZIZXQLXAWCLYAT-UHFFFAOYSA-N -1 1 387.425 0.360 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000737548329 598297851 /nfs/dbraw/zinc/29/78/51/598297851.db2.gz OHWLRYNXVIJQKS-JTQLQIEISA-N -1 1 399.367 0.656 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)C(=O)N1CCNC1=O ZINC000737548329 598297853 /nfs/dbraw/zinc/29/78/53/598297853.db2.gz OHWLRYNXVIJQKS-JTQLQIEISA-N -1 1 399.367 0.656 20 0 GCADMM Cc1nn(-c2ccccc2)c(Cn2nc(C(N)=O)ccc2=O)c1-c1nn[n-]n1 ZINC000737504406 598308058 /nfs/dbraw/zinc/30/80/58/598308058.db2.gz WZNXYARGMKQUJG-UHFFFAOYSA-N -1 1 377.368 0.065 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccccc2)[C@H]2CCCO2)n(C)c1=O ZINC000737596406 598313110 /nfs/dbraw/zinc/31/31/10/598313110.db2.gz NEFUSUZQNIZVNP-TZMCWYRMSA-N -1 1 383.412 0.596 20 0 GCADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736788078 598337044 /nfs/dbraw/zinc/33/70/44/598337044.db2.gz PAKHMEHTWCNRMS-UHFFFAOYSA-N -1 1 395.427 0.568 20 0 GCADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736788078 598337045 /nfs/dbraw/zinc/33/70/45/598337045.db2.gz PAKHMEHTWCNRMS-UHFFFAOYSA-N -1 1 395.427 0.568 20 0 GCADMM O=S(=O)(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccs1 ZINC000738344148 598340819 /nfs/dbraw/zinc/34/08/19/598340819.db2.gz WBDIHXKMHDOXJH-UHFFFAOYSA-N -1 1 392.470 0.666 20 0 GCADMM O=S(=O)(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccs1 ZINC000738344148 598340821 /nfs/dbraw/zinc/34/08/21/598340821.db2.gz WBDIHXKMHDOXJH-UHFFFAOYSA-N -1 1 392.470 0.666 20 0 GCADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)ccc1C ZINC000737033990 598345626 /nfs/dbraw/zinc/34/56/26/598345626.db2.gz DYCVJFWRDWWWSE-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)ccc1C ZINC000737033990 598345628 /nfs/dbraw/zinc/34/56/28/598345628.db2.gz DYCVJFWRDWWWSE-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM CC(C)(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735587551 598369550 /nfs/dbraw/zinc/36/95/50/598369550.db2.gz VGUCZMWRNKGCHC-NSHDSACASA-N -1 1 393.473 0.577 20 0 GCADMM CC(C)(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735587551 598369552 /nfs/dbraw/zinc/36/95/52/598369552.db2.gz VGUCZMWRNKGCHC-NSHDSACASA-N -1 1 393.473 0.577 20 0 GCADMM COC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C=O)c1 ZINC000736949183 598369617 /nfs/dbraw/zinc/36/96/17/598369617.db2.gz NXBMXOLIZFVHMS-UHFFFAOYSA-N -1 1 389.349 0.629 20 0 GCADMM COC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C=O)c1 ZINC000736949183 598369619 /nfs/dbraw/zinc/36/96/19/598369619.db2.gz NXBMXOLIZFVHMS-UHFFFAOYSA-N -1 1 389.349 0.629 20 0 GCADMM O=C(COc1cccnc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737928122 598374260 /nfs/dbraw/zinc/37/42/60/598374260.db2.gz FBXUUJUUKDQUAY-UHFFFAOYSA-N -1 1 396.411 0.855 20 0 GCADMM Cc1cc(=O)c(C(=O)N=c2cc[nH]cc2-c2nn[n-]n2)nn1-c1ccccc1F ZINC000737226075 598381364 /nfs/dbraw/zinc/38/13/64/598381364.db2.gz NNYIBRVXGXEGMF-UHFFFAOYSA-N -1 1 392.354 0.929 20 0 GCADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736226121 598385144 /nfs/dbraw/zinc/38/51/44/598385144.db2.gz VNVWQGQJBQQBIU-KBPBESRZSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736226121 598385146 /nfs/dbraw/zinc/38/51/46/598385146.db2.gz VNVWQGQJBQQBIU-KBPBESRZSA-N -1 1 385.476 0.283 20 0 GCADMM O=c1[nH]c(CN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)nc2ccccc21 ZINC000738374208 598385752 /nfs/dbraw/zinc/38/57/52/598385752.db2.gz LARPNJTVLNFWJX-UHFFFAOYSA-N -1 1 390.411 0.628 20 0 GCADMM O=c1[nH]c(CN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)nc2ccccc21 ZINC000738374208 598385755 /nfs/dbraw/zinc/38/57/55/598385755.db2.gz LARPNJTVLNFWJX-UHFFFAOYSA-N -1 1 390.411 0.628 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cnn(-c3ccccc3Cl)c2)n(C)c1=O ZINC000737594829 598388578 /nfs/dbraw/zinc/38/85/78/598388578.db2.gz BEUNHARXVHBLFK-UHFFFAOYSA-N -1 1 399.802 0.847 20 0 GCADMM O=c1oc2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738382901 598406986 /nfs/dbraw/zinc/40/69/86/598406986.db2.gz SLDFXYOIPXTVLM-UHFFFAOYSA-N -1 1 387.381 0.148 20 0 GCADMM O=c1oc2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738382901 598406988 /nfs/dbraw/zinc/40/69/88/598406988.db2.gz SLDFXYOIPXTVLM-UHFFFAOYSA-N -1 1 387.381 0.148 20 0 GCADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000736947636 598470453 /nfs/dbraw/zinc/47/04/53/598470453.db2.gz BXQWGDKGYOEYLZ-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM O=C(NCc1cocn1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738124452 598473463 /nfs/dbraw/zinc/47/34/63/598473463.db2.gz NYJNZINCUNVTJH-UHFFFAOYSA-N -1 1 385.388 0.752 20 0 GCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000737065125 598478090 /nfs/dbraw/zinc/47/80/90/598478090.db2.gz BFMDEZJIHXVNOB-UHFFFAOYSA-N -1 1 382.336 0.384 20 0 GCADMM Cc1ccnc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737436713 598526101 /nfs/dbraw/zinc/52/61/01/598526101.db2.gz KTJFJSKQYXTFJJ-UHFFFAOYSA-N -1 1 388.413 0.224 20 0 GCADMM Cc1ccnc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737436713 598526103 /nfs/dbraw/zinc/52/61/03/598526103.db2.gz KTJFJSKQYXTFJJ-UHFFFAOYSA-N -1 1 388.413 0.224 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCC(=O)NC(C)(C)C)cc1-c1nn[n-]n1 ZINC000737187738 598555925 /nfs/dbraw/zinc/55/59/25/598555925.db2.gz SXRZYPBQRAVGKP-UHFFFAOYSA-N -1 1 379.446 0.724 20 0 GCADMM CC1CCC(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC000736242981 598613218 /nfs/dbraw/zinc/61/32/18/598613218.db2.gz TZBHNXYCSXVWQI-UHFFFAOYSA-N -1 1 385.476 0.474 20 0 GCADMM CC1CCC(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC000736242981 598613219 /nfs/dbraw/zinc/61/32/19/598613219.db2.gz TZBHNXYCSXVWQI-UHFFFAOYSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)CC(=O)N2C ZINC000736129897 598613457 /nfs/dbraw/zinc/61/34/57/598613457.db2.gz JQTDHMZPUFOFRH-SNVBAGLBSA-N -1 1 399.436 0.820 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)CC(=O)N2C ZINC000736129897 598613458 /nfs/dbraw/zinc/61/34/58/598613458.db2.gz JQTDHMZPUFOFRH-SNVBAGLBSA-N -1 1 399.436 0.820 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCC[S@@](C)=O ZINC000737487776 598624858 /nfs/dbraw/zinc/62/48/58/598624858.db2.gz NCWGYHKBBOPPPC-HHHXNRCGSA-N -1 1 390.473 0.344 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCC[S@@](C)=O ZINC000737487776 598624859 /nfs/dbraw/zinc/62/48/59/598624859.db2.gz NCWGYHKBBOPPPC-HHHXNRCGSA-N -1 1 390.473 0.344 20 0 GCADMM CCc1nn(CCNC(=O)OCC(F)(F)F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707019 598640093 /nfs/dbraw/zinc/64/00/93/598640093.db2.gz OLTZKQUWIBRTSS-UHFFFAOYSA-N -1 1 389.338 0.837 20 0 GCADMM CCc1nn(Cc2nn3c(nc(C)cc3=O)s2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707694 598643565 /nfs/dbraw/zinc/64/35/65/598643565.db2.gz ROIHVTSMMYAZQB-UHFFFAOYSA-N -1 1 399.440 0.369 20 0 GCADMM COC(=O)[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCO1 ZINC000736911698 598670038 /nfs/dbraw/zinc/67/00/38/598670038.db2.gz IONYOXWISCQHEK-NSHDSACASA-N -1 1 386.368 0.573 20 0 GCADMM COC(=O)[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCO1 ZINC000736911698 598670039 /nfs/dbraw/zinc/67/00/39/598670039.db2.gz IONYOXWISCQHEK-NSHDSACASA-N -1 1 386.368 0.573 20 0 GCADMM COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736911913 598685104 /nfs/dbraw/zinc/68/51/04/598685104.db2.gz JNVXOYPZEYSILL-ONGXEEELSA-N -1 1 378.389 0.277 20 0 GCADMM CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000735736842 598689476 /nfs/dbraw/zinc/68/94/76/598689476.db2.gz ZSEGCIYMMGNOCS-KBPBESRZSA-N -1 1 399.415 0.383 20 0 GCADMM Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737619583 598690553 /nfs/dbraw/zinc/69/05/53/598690553.db2.gz WCLYIUHDCPCBED-JTQLQIEISA-N -1 1 392.420 0.703 20 0 GCADMM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735685101 598692314 /nfs/dbraw/zinc/69/23/14/598692314.db2.gz NZEZSPIXDGLHJI-LLVKDONJSA-N -1 1 396.448 0.931 20 0 GCADMM CCOC(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736601523 598693270 /nfs/dbraw/zinc/69/32/70/598693270.db2.gz ZYDSRTXSXHRDNB-UHFFFAOYSA-N -1 1 398.420 0.859 20 0 GCADMM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736892663 598693411 /nfs/dbraw/zinc/69/34/11/598693411.db2.gz OSNIQJBAUBYLOY-VIFPVBQESA-N -1 1 383.405 0.968 20 0 GCADMM Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC000737471543 598694638 /nfs/dbraw/zinc/69/46/38/598694638.db2.gz IYCUXCRYIGMLSV-NSHDSACASA-N -1 1 390.429 0.597 20 0 GCADMM Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC000737471543 598694639 /nfs/dbraw/zinc/69/46/39/598694639.db2.gz IYCUXCRYIGMLSV-NSHDSACASA-N -1 1 390.429 0.597 20 0 GCADMM CCOc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)ccc1OCC(=O)OC ZINC000736626439 598700292 /nfs/dbraw/zinc/70/02/92/598700292.db2.gz SYHGMRZUWFSQEI-UHFFFAOYSA-N -1 1 387.356 0.284 20 0 GCADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736018964 598710629 /nfs/dbraw/zinc/71/06/29/598710629.db2.gz CBFRIGDQSXODPS-JTQLQIEISA-N -1 1 397.461 0.795 20 0 GCADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736018964 598710630 /nfs/dbraw/zinc/71/06/30/598710630.db2.gz CBFRIGDQSXODPS-JTQLQIEISA-N -1 1 397.461 0.795 20 0 GCADMM Cc1ccc(S(=O)(=O)n2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c2)cc1 ZINC000737370169 598719803 /nfs/dbraw/zinc/71/98/03/598719803.db2.gz OBKYSRKZBMRUHK-UHFFFAOYSA-N -1 1 398.408 0.681 20 0 GCADMM COC(=O)CCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736919646 598721089 /nfs/dbraw/zinc/72/10/89/598721089.db2.gz VFCHWKCKWNOHHR-UHFFFAOYSA-N -1 1 390.787 0.514 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000737201564 598769644 /nfs/dbraw/zinc/76/96/44/598769644.db2.gz UOQBPWIVAGDPRZ-CYBMUJFWSA-N -1 1 397.443 0.799 20 0 GCADMM O=C1CCCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738302925 598777367 /nfs/dbraw/zinc/77/73/67/598777367.db2.gz OXGKCXDHPFJZPW-GFCCVEGCSA-N -1 1 391.457 0.427 20 0 GCADMM O=C1CCCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738302925 598777369 /nfs/dbraw/zinc/77/73/69/598777369.db2.gz OXGKCXDHPFJZPW-GFCCVEGCSA-N -1 1 391.457 0.427 20 0 GCADMM O=C1[C@H](N2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCN1c1ccccc1 ZINC000738292374 598795697 /nfs/dbraw/zinc/79/56/97/598795697.db2.gz ZWQNKHKUEHQRMM-OAHLLOKOSA-N -1 1 391.439 0.584 20 0 GCADMM O=C1[C@H](N2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCN1c1ccccc1 ZINC000738292374 598795698 /nfs/dbraw/zinc/79/56/98/598795698.db2.gz ZWQNKHKUEHQRMM-OAHLLOKOSA-N -1 1 391.439 0.584 20 0 GCADMM CC(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735894741 598796131 /nfs/dbraw/zinc/79/61/31/598796131.db2.gz LIMXJSWEOYCACF-UHFFFAOYSA-N -1 1 395.445 0.549 20 0 GCADMM CC(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735894741 598796132 /nfs/dbraw/zinc/79/61/32/598796132.db2.gz LIMXJSWEOYCACF-UHFFFAOYSA-N -1 1 395.445 0.549 20 0 GCADMM NC(=O)C1CCN(c2ncccc2CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000737744729 598796780 /nfs/dbraw/zinc/79/67/80/598796780.db2.gz NKYSCDLRERBVEQ-UHFFFAOYSA-N -1 1 380.416 0.366 20 0 GCADMM NC(=O)C1CCN(c2ncccc2CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000737744729 598796781 /nfs/dbraw/zinc/79/67/81/598796781.db2.gz NKYSCDLRERBVEQ-UHFFFAOYSA-N -1 1 380.416 0.366 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCN1CCNC1=O ZINC000737488372 598799284 /nfs/dbraw/zinc/79/92/84/598799284.db2.gz UARVFIPTWBUUQA-UHFFFAOYSA-N -1 1 399.415 0.027 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCN1CCNC1=O ZINC000737488372 598799285 /nfs/dbraw/zinc/79/92/85/598799285.db2.gz UARVFIPTWBUUQA-UHFFFAOYSA-N -1 1 399.415 0.027 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC(=O)OC(C)C ZINC000737488212 598808747 /nfs/dbraw/zinc/80/87/47/598808747.db2.gz RIVRABOTNQSKMO-UHFFFAOYSA-N -1 1 386.416 0.527 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC(=O)OC(C)C ZINC000737488212 598808749 /nfs/dbraw/zinc/80/87/49/598808749.db2.gz RIVRABOTNQSKMO-UHFFFAOYSA-N -1 1 386.416 0.527 20 0 GCADMM Cn1cc([C@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)cn1 ZINC000737602176 599295213 /nfs/dbraw/zinc/29/52/13/599295213.db2.gz FHGHJIHEWHEDEZ-JTQLQIEISA-N -1 1 377.405 0.918 20 0 GCADMM Cn1cc([C@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)cn1 ZINC000737602176 599295214 /nfs/dbraw/zinc/29/52/14/599295214.db2.gz FHGHJIHEWHEDEZ-JTQLQIEISA-N -1 1 377.405 0.918 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@H]1O ZINC000737486849 599315595 /nfs/dbraw/zinc/31/55/95/599315595.db2.gz FTEORTRAMOOHST-IUODEOHRSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@H]1O ZINC000737486849 599315598 /nfs/dbraw/zinc/31/55/98/599315598.db2.gz FTEORTRAMOOHST-IUODEOHRSA-N -1 1 384.444 0.736 20 0 GCADMM CC(C)(C)C(=O)Nc1nc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)cs1 ZINC000819899083 599318074 /nfs/dbraw/zinc/31/80/74/599318074.db2.gz NBHZTKLUNWCKJZ-UHFFFAOYSA-N -1 1 375.418 0.969 20 0 GCADMM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000822912273 599336652 /nfs/dbraw/zinc/33/66/52/599336652.db2.gz UOIBOLGKBLSDMF-UHFFFAOYSA-N -1 1 396.860 0.763 20 0 GCADMM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821114462 599340496 /nfs/dbraw/zinc/34/04/96/599340496.db2.gz SRXPUBBGSYFMOE-NSHDSACASA-N -1 1 396.448 0.933 20 0 GCADMM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821114462 599340497 /nfs/dbraw/zinc/34/04/97/599340497.db2.gz SRXPUBBGSYFMOE-NSHDSACASA-N -1 1 396.448 0.933 20 0 GCADMM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820293798 599344261 /nfs/dbraw/zinc/34/42/61/599344261.db2.gz OHGNHDINSFUYEL-MRVPVSSYSA-N -1 1 393.878 0.574 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(OCC(C)(C)O)cc2)n(C)c1=O ZINC000737594828 599350597 /nfs/dbraw/zinc/35/05/97/599350597.db2.gz BBXHWNXZBBJZIH-UHFFFAOYSA-N -1 1 387.400 0.157 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cc(=O)c(O)co1 ZINC000737199377 599367967 /nfs/dbraw/zinc/36/79/67/599367967.db2.gz GUGFOXVBCBVTOK-UHFFFAOYSA-N -1 1 387.352 0.919 20 0 GCADMM COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821692496 599370566 /nfs/dbraw/zinc/37/05/66/599370566.db2.gz ZLHLOUJJPGMYNC-LLVKDONJSA-N -1 1 385.421 0.679 20 0 GCADMM COCCOC[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821691826 599372112 /nfs/dbraw/zinc/37/21/12/599372112.db2.gz GIAWVLMXOGAKES-LLVKDONJSA-N -1 1 385.421 0.679 20 0 GCADMM COCCOC[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821691826 599372115 /nfs/dbraw/zinc/37/21/15/599372115.db2.gz GIAWVLMXOGAKES-LLVKDONJSA-N -1 1 385.421 0.679 20 0 GCADMM O=S1(=O)N=C(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c2ccccc21 ZINC000738357112 599413052 /nfs/dbraw/zinc/41/30/52/599413052.db2.gz BTSPGDVWZXDQBC-UHFFFAOYSA-N -1 1 396.436 0.533 20 0 GCADMM O=S1(=O)N=C(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c2ccccc21 ZINC000738357112 599413053 /nfs/dbraw/zinc/41/30/53/599413053.db2.gz BTSPGDVWZXDQBC-UHFFFAOYSA-N -1 1 396.436 0.533 20 0 GCADMM Cc1oc(NC(=O)CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737551852 599448666 /nfs/dbraw/zinc/44/86/66/599448666.db2.gz JZDXXLUHZHZHTB-MWLCHTKSSA-N -1 1 382.446 0.522 20 0 GCADMM COCCN1C(=O)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)N(C)C)=C1C ZINC000821690673 599493072 /nfs/dbraw/zinc/49/30/72/599493072.db2.gz VDJIJAMMAFORGB-CYBMUJFWSA-N -1 1 375.389 0.535 20 0 GCADMM COCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)N(C)C)=C1C ZINC000821690673 599493073 /nfs/dbraw/zinc/49/30/73/599493073.db2.gz VDJIJAMMAFORGB-CYBMUJFWSA-N -1 1 375.389 0.535 20 0 GCADMM CCOC(=O)[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736584584 599627703 /nfs/dbraw/zinc/62/77/03/599627703.db2.gz IHRHBSHHLBMQAM-NSHDSACASA-N -1 1 387.400 0.954 20 0 GCADMM CCOC(=O)[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736584584 599627704 /nfs/dbraw/zinc/62/77/04/599627704.db2.gz IHRHBSHHLBMQAM-NSHDSACASA-N -1 1 387.400 0.954 20 0 GCADMM O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCCC1 ZINC000822987555 599634957 /nfs/dbraw/zinc/63/49/57/599634957.db2.gz ZJJORLXSSLYZGZ-AWEZNQCLSA-N -1 1 385.428 0.505 20 0 GCADMM O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCCC1 ZINC000822987555 599634958 /nfs/dbraw/zinc/63/49/58/599634958.db2.gz ZJJORLXSSLYZGZ-AWEZNQCLSA-N -1 1 385.428 0.505 20 0 GCADMM CC[C@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)N1CCCC1=O ZINC000820848420 599671212 /nfs/dbraw/zinc/67/12/12/599671212.db2.gz XRRDZXRYZCWRLT-LLVKDONJSA-N -1 1 390.400 0.959 20 0 GCADMM Cn1ccnc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)c1=O ZINC000822694141 599686754 /nfs/dbraw/zinc/68/67/54/599686754.db2.gz WRYOIXCETUBMJS-UHFFFAOYSA-N -1 1 389.423 0.835 20 0 GCADMM Cn1ccnc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)c1=O ZINC000822694141 599686755 /nfs/dbraw/zinc/68/67/55/599686755.db2.gz WRYOIXCETUBMJS-UHFFFAOYSA-N -1 1 389.423 0.835 20 0 GCADMM COc1ccc(CN2CCCN(C(=O)COC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cc1 ZINC000738004745 599702797 /nfs/dbraw/zinc/70/27/97/599702797.db2.gz UNYULHUOPGJEOS-IAGOWNOFSA-N -1 1 390.436 0.993 20 0 GCADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000736215471 599711966 /nfs/dbraw/zinc/71/19/66/599711966.db2.gz OKXGDHHXLMVWCG-FHLIZLRMSA-N -1 1 375.469 0.921 20 0 GCADMM O=C([O-])CNC(=O)c1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000739812369 599837575 /nfs/dbraw/zinc/83/75/75/599837575.db2.gz HUZQRRSCEZWWDO-HZPDHXFCSA-N -1 1 390.440 0.564 20 0 GCADMM O=C([O-])CNC(=O)c1ccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000739812367 599837746 /nfs/dbraw/zinc/83/77/46/599837746.db2.gz HUZQRRSCEZWWDO-HOTGVXAUSA-N -1 1 390.440 0.564 20 0 GCADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000737654783 599868643 /nfs/dbraw/zinc/86/86/43/599868643.db2.gz VKJLEYQPYNNNSI-AWEZNQCLSA-N -1 1 382.438 0.934 20 0 GCADMM CC(C)(NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C(=O)[O-] ZINC000736339259 599927142 /nfs/dbraw/zinc/92/71/42/599927142.db2.gz OPQYSYXRWWTBRQ-MDWZMJQESA-N -1 1 395.481 0.584 20 0 GCADMM Cc1nc(CN2CCC[C@H](N(C)CC(=O)N3CCC(C(=O)[O-])CC3)C2)no1 ZINC000738348541 599963117 /nfs/dbraw/zinc/96/31/17/599963117.db2.gz IXUCNPUATYHDJV-HNNXBMFYSA-N -1 1 379.461 0.597 20 0 GCADMM Cc1nc(CN2CCC[C@@H](N(C)CC(=O)N3CCC(C(=O)[O-])CC3)C2)no1 ZINC000738348552 599963300 /nfs/dbraw/zinc/96/33/00/599963300.db2.gz IXUCNPUATYHDJV-OAHLLOKOSA-N -1 1 379.461 0.597 20 0 GCADMM CN1CCN(C[C@H]2CN(CC(=O)Nc3cccc(C(=O)[O-])c3)CCO2)CC1 ZINC000737526473 599970864 /nfs/dbraw/zinc/97/08/64/599970864.db2.gz PYRFUSIZDIMXKJ-KRWDZBQOSA-N -1 1 376.457 0.272 20 0 GCADMM CCOC(=O)C1=C(CN2CCO[C@@H](C(=O)[O-])C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000737134406 599971638 /nfs/dbraw/zinc/97/16/38/599971638.db2.gz PPKBCQKIIFEMDS-GDBMZVCRSA-N -1 1 389.408 0.643 20 0 GCADMM CCOC[C@@H](O)CN1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000737160929 599973309 /nfs/dbraw/zinc/97/33/09/599973309.db2.gz BATMDAREJWUKQZ-AWEZNQCLSA-N -1 1 390.440 0.549 20 0 GCADMM CCN1CCN(c2ccc(CNC(=O)N3CCO[C@H](C(=O)[O-])C3)cn2)CC1 ZINC000737123305 600034956 /nfs/dbraw/zinc/03/49/56/600034956.db2.gz RPYBMTHHULBECX-HNNXBMFYSA-N -1 1 377.445 0.219 20 0 GCADMM CN1CCN(C[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc2)CC1 ZINC000737526554 600040857 /nfs/dbraw/zinc/04/08/57/600040857.db2.gz TYHSUXVSBYORID-DLBZAZTESA-N -1 1 376.457 0.470 20 0 GCADMM C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000736587709 600099153 /nfs/dbraw/zinc/09/91/53/600099153.db2.gz 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FDFWGCDAGJIFSG-CYBMUJFWSA-N -1 1 384.458 0.156 20 0 GCADMM CN(C)C(=O)CCN1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000830547388 602239175 /nfs/dbraw/zinc/23/91/75/602239175.db2.gz OEDSMKSLHXDMOR-CQSZACIVSA-N -1 1 394.497 0.648 20 0 GCADMM CC(C)[C@@H](O)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824207509 607554497 /nfs/dbraw/zinc/55/44/97/607554497.db2.gz YHJCCFHLCWTWDT-LBPRGKRZSA-N -1 1 375.433 0.788 20 0 GCADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)Nc3cc(C(=O)[O-])n(C)c3)CC2)C1 ZINC000826966045 602375512 /nfs/dbraw/zinc/37/55/12/602375512.db2.gz JOEYHEGPPUXSOM-MRXNPFEDSA-N -1 1 393.488 0.982 20 0 GCADMM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)N1CCN(C)CC1 ZINC000826687896 602402481 /nfs/dbraw/zinc/40/24/81/602402481.db2.gz RJDBDKYPNREDGF-MRXNPFEDSA-N -1 1 394.447 0.851 20 0 GCADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccccc1-c1nn[nH]n1 ZINC000825553695 607573615 /nfs/dbraw/zinc/57/36/15/607573615.db2.gz UUMAPONBQCQGBP-UHFFFAOYSA-N -1 1 378.370 0.843 20 0 GCADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1cccc(-c2nn[nH]n2)c1 ZINC000825553206 607576905 /nfs/dbraw/zinc/57/69/05/607576905.db2.gz MTPSLAHFAVYPHF-UHFFFAOYSA-N -1 1 378.370 0.843 20 0 GCADMM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000825470606 607579729 /nfs/dbraw/zinc/57/97/29/607579729.db2.gz FCHAHJZTDKFMBS-UHFFFAOYSA-N -1 1 399.864 0.556 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)NCc1ccco1 ZINC000826412893 607580953 /nfs/dbraw/zinc/58/09/53/607580953.db2.gz IBYXLBORWDPOEU-UHFFFAOYSA-N -1 1 396.816 0.708 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)NCc1ccco1 ZINC000826412893 607580956 /nfs/dbraw/zinc/58/09/56/607580956.db2.gz IBYXLBORWDPOEU-UHFFFAOYSA-N -1 1 396.816 0.708 20 0 GCADMM CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825464412 607583538 /nfs/dbraw/zinc/58/35/38/607583538.db2.gz COFFAGVSIWGKJZ-ZETCQYMHSA-N -1 1 392.363 0.688 20 0 GCADMM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826428461 607584146 /nfs/dbraw/zinc/58/41/46/607584146.db2.gz CGETYKOGCBVUKO-LBPRGKRZSA-N -1 1 396.860 0.952 20 0 GCADMM Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826333349 607585762 /nfs/dbraw/zinc/58/57/62/607585762.db2.gz DJTMIBUSAKMRPG-UHFFFAOYSA-N -1 1 379.421 0.877 20 0 GCADMM CN(C)c1ncccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825888947 607587354 /nfs/dbraw/zinc/58/73/54/607587354.db2.gz ZRCYRNOTBTUBTD-UHFFFAOYSA-N -1 1 377.405 0.945 20 0 GCADMM C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824420331 607588296 /nfs/dbraw/zinc/58/82/96/607588296.db2.gz HYCPEHRBKWQQRO-SNVBAGLBSA-N -1 1 386.865 0.519 20 0 GCADMM C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824420331 607588297 /nfs/dbraw/zinc/58/82/97/607588297.db2.gz HYCPEHRBKWQQRO-SNVBAGLBSA-N -1 1 386.865 0.519 20 0 GCADMM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824908958 607591333 /nfs/dbraw/zinc/59/13/33/607591333.db2.gz RYUCCRBLVUFBHH-RKDXNWHRSA-N -1 1 384.849 0.795 20 0 GCADMM O=S(=O)(NC1CCC2(CC1)OCCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488218 607590974 /nfs/dbraw/zinc/59/09/74/607590974.db2.gz KTMZMGAKDYEQFN-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM O=S(=O)(NC1CCC2(CC1)OCCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488218 607590976 /nfs/dbraw/zinc/59/09/76/607590976.db2.gz KTMZMGAKDYEQFN-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)NCc1ccco1 ZINC000824641821 607599751 /nfs/dbraw/zinc/59/97/51/607599751.db2.gz ZOFCVFYCALRCPC-SECBINFHSA-N -1 1 394.388 0.582 20 0 GCADMM NC(=O)Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826391938 607602246 /nfs/dbraw/zinc/60/22/46/607602246.db2.gz HZQIFKCGHMDNBF-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM NC(=O)Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826391938 607602247 /nfs/dbraw/zinc/60/22/47/607602247.db2.gz HZQIFKCGHMDNBF-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM O=C1NCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826482365 607602472 /nfs/dbraw/zinc/60/24/72/607602472.db2.gz BUPAFQAZCZRIMS-SECBINFHSA-N -1 1 390.347 0.442 20 0 GCADMM NS(=O)(=O)c1ccc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826395383 607604546 /nfs/dbraw/zinc/60/45/46/607604546.db2.gz YMQUFBQHOUDFSY-UHFFFAOYSA-N -1 1 390.381 0.031 20 0 GCADMM NS(=O)(=O)c1ccc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826395383 607604548 /nfs/dbraw/zinc/60/45/48/607604548.db2.gz YMQUFBQHOUDFSY-UHFFFAOYSA-N -1 1 390.381 0.031 20 0 GCADMM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824506430 607605464 /nfs/dbraw/zinc/60/54/64/607605464.db2.gz OJWZIVVBAMEMJG-SNVBAGLBSA-N -1 1 392.379 1.000 20 0 GCADMM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824216632 607605885 /nfs/dbraw/zinc/60/58/85/607605885.db2.gz UEJUXRJHKALFCA-GFCCVEGCSA-N -1 1 384.849 0.665 20 0 GCADMM O=C1OCCN1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826483534 607607503 /nfs/dbraw/zinc/60/75/03/607607503.db2.gz QPTMDJCLUBVFIO-UHFFFAOYSA-N -1 1 386.821 0.641 20 0 GCADMM O=C1OCCN1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826483534 607607504 /nfs/dbraw/zinc/60/75/04/607607504.db2.gz QPTMDJCLUBVFIO-UHFFFAOYSA-N -1 1 386.821 0.641 20 0 GCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000826479434 607609919 /nfs/dbraw/zinc/60/99/19/607609919.db2.gz YKJHDCVECONSAT-AWEZNQCLSA-N -1 1 392.375 0.824 20 0 GCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000826479434 607609921 /nfs/dbraw/zinc/60/99/21/607609921.db2.gz YKJHDCVECONSAT-AWEZNQCLSA-N -1 1 392.375 0.824 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nnc2n1CCC2 ZINC000824640959 607611095 /nfs/dbraw/zinc/61/10/95/607611095.db2.gz QHGHQUVNAJFGPX-QMMMGPOBSA-N -1 1 378.393 0.583 20 0 GCADMM CN1CCN(c2ccc(CNC(=O)N[C@H]3CCCN(C(=O)[O-])C3)cn2)CC1 ZINC000737529009 603248723 /nfs/dbraw/zinc/24/87/23/603248723.db2.gz GZRWFOAOELYKPJ-HNNXBMFYSA-N -1 1 376.461 0.775 20 0 GCADMM O=S(=O)(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489279 607627334 /nfs/dbraw/zinc/62/73/34/607627334.db2.gz LNPLIHOPMDJISQ-CYBMUJFWSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489279 607627335 /nfs/dbraw/zinc/62/73/35/607627335.db2.gz LNPLIHOPMDJISQ-CYBMUJFWSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(NC[C@H](O)COCC1CC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488963 607631357 /nfs/dbraw/zinc/63/13/57/607631357.db2.gz DNXJDGAWMNEUQL-JTQLQIEISA-N -1 1 387.849 0.586 20 0 GCADMM O=S(=O)(NC[C@H](O)COCC1CC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488963 607631359 /nfs/dbraw/zinc/63/13/59/607631359.db2.gz DNXJDGAWMNEUQL-JTQLQIEISA-N -1 1 387.849 0.586 20 0 GCADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N(CCO)CCCO ZINC000826494874 607634517 /nfs/dbraw/zinc/63/45/17/607634517.db2.gz STFKFUFISVCQGZ-UHFFFAOYSA-N -1 1 395.363 0.251 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](O)c1ccc(F)cc1 ZINC000824640493 607636552 /nfs/dbraw/zinc/63/65/52/607636552.db2.gz JTNJUVWEBJFXKU-YMTOWFKASA-N -1 1 378.389 0.801 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](O)c1ccc(F)cc1 ZINC000824640493 607636554 /nfs/dbraw/zinc/63/65/54/607636554.db2.gz JTNJUVWEBJFXKU-YMTOWFKASA-N -1 1 378.389 0.801 20 0 GCADMM CSC[C@@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826226721 607639707 /nfs/dbraw/zinc/63/97/07/607639707.db2.gz FGVDAWDEIQKGAV-LBPRGKRZSA-N -1 1 377.879 0.912 20 0 GCADMM CSC[C@@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826226721 607639709 /nfs/dbraw/zinc/63/97/09/607639709.db2.gz FGVDAWDEIQKGAV-LBPRGKRZSA-N -1 1 377.879 0.912 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nsc(N(C)C)n1 ZINC000825000406 607640579 /nfs/dbraw/zinc/64/05/79/607640579.db2.gz PTRUTMDKTZFVIA-JTQLQIEISA-N -1 1 387.477 0.285 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nsc(N(C)C)n1 ZINC000825000406 607640580 /nfs/dbraw/zinc/64/05/80/607640580.db2.gz PTRUTMDKTZFVIA-JTQLQIEISA-N -1 1 387.477 0.285 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOC[C@@H]1C(F)(F)F ZINC000826495459 607640903 /nfs/dbraw/zinc/64/09/03/607640903.db2.gz PNWMXKVUOIRRGY-SNVBAGLBSA-N -1 1 381.311 0.958 20 0 GCADMM O=S(=O)(NCCCOC1CCOCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491130 607646170 /nfs/dbraw/zinc/64/61/70/607646170.db2.gz UVMRNPGGZSAKBY-UHFFFAOYSA-N -1 1 385.421 0.870 20 0 GCADMM O=S(=O)(NCCCOC1CCOCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491130 607646171 /nfs/dbraw/zinc/64/61/71/607646171.db2.gz UVMRNPGGZSAKBY-UHFFFAOYSA-N -1 1 385.421 0.870 20 0 GCADMM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824158589 607653617 /nfs/dbraw/zinc/65/36/17/607653617.db2.gz ZIUXAUUWMSDWQB-UHFFFAOYSA-N -1 1 391.450 0.497 20 0 GCADMM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824158589 607653618 /nfs/dbraw/zinc/65/36/18/607653618.db2.gz ZIUXAUUWMSDWQB-UHFFFAOYSA-N -1 1 391.450 0.497 20 0 GCADMM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826138154 607656376 /nfs/dbraw/zinc/65/63/76/607656376.db2.gz HGEOHXMCKQEDLV-UHFFFAOYSA-N -1 1 399.404 0.349 20 0 GCADMM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826138154 607656378 /nfs/dbraw/zinc/65/63/78/607656378.db2.gz HGEOHXMCKQEDLV-UHFFFAOYSA-N -1 1 399.404 0.349 20 0 GCADMM CC(C)(C)N1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1=O ZINC000824093058 607658777 /nfs/dbraw/zinc/65/87/77/607658777.db2.gz DDWXIOVIVPWAHI-SNVBAGLBSA-N -1 1 382.421 0.684 20 0 GCADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCO[C@@H](CO)C1 ZINC000826494416 607667142 /nfs/dbraw/zinc/66/71/42/607667142.db2.gz BBCDZNPMWRWVOB-SECBINFHSA-N -1 1 393.347 0.267 20 0 GCADMM O=S(=O)(N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488720 607668336 /nfs/dbraw/zinc/66/83/36/607668336.db2.gz XDOLDPKCPZUBND-VIFPVBQESA-N -1 1 380.821 0.925 20 0 GCADMM O=S(=O)(N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488720 607668338 /nfs/dbraw/zinc/66/83/38/607668338.db2.gz XDOLDPKCPZUBND-VIFPVBQESA-N -1 1 380.821 0.925 20 0 GCADMM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825750339 607668777 /nfs/dbraw/zinc/66/87/77/607668777.db2.gz QKJXRPCVRPPMKX-SNVBAGLBSA-N -1 1 392.420 0.973 20 0 GCADMM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825750339 607668779 /nfs/dbraw/zinc/66/87/79/607668779.db2.gz QKJXRPCVRPPMKX-SNVBAGLBSA-N -1 1 392.420 0.973 20 0 GCADMM CC1(C)CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCS1(=O)=O ZINC000824812227 607669034 /nfs/dbraw/zinc/66/90/34/607669034.db2.gz LYTGNCXOKQOGIG-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM CC1(C)CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCS1(=O)=O ZINC000824812227 607669037 /nfs/dbraw/zinc/66/90/37/607669037.db2.gz LYTGNCXOKQOGIG-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H]2CCCC[C@H]2N1 ZINC000826481329 607671171 /nfs/dbraw/zinc/67/11/71/607671171.db2.gz PZZWANYOCPHNBX-GHMZBOCLSA-N -1 1 396.860 0.952 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H]2CCCC[C@H]2N1 ZINC000826481329 607671173 /nfs/dbraw/zinc/67/11/73/607671173.db2.gz PZZWANYOCPHNBX-GHMZBOCLSA-N -1 1 396.860 0.952 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]2CCCC[C@H]2N1 ZINC000826481134 607671477 /nfs/dbraw/zinc/67/14/77/607671477.db2.gz INUSSCIFFXGYEK-MNOVXSKESA-N -1 1 380.405 0.438 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]2CCCC[C@H]2N1 ZINC000826481134 607671478 /nfs/dbraw/zinc/67/14/78/607671478.db2.gz INUSSCIFFXGYEK-MNOVXSKESA-N -1 1 380.405 0.438 20 0 GCADMM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000833252093 604424496 /nfs/dbraw/zinc/42/44/96/604424496.db2.gz LERKSKRPWLWXDQ-CYBMUJFWSA-N -1 1 385.380 0.356 20 0 GCADMM CCN1C(=O)[C@H]2CN([C@@H](C(=O)[O-])c3cc(OC)cc(OC)c3)CCN2C1=O ZINC000829746457 604485503 /nfs/dbraw/zinc/48/55/03/604485503.db2.gz XVDLBZJAYSMHLB-HUUCEWRRSA-N -1 1 377.397 0.798 20 0 GCADMM CCOC(=O)Cn1cccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1=O ZINC000833658826 604491612 /nfs/dbraw/zinc/49/16/12/604491612.db2.gz KFMIOGFVIUBYOP-ZDUSSCGKSA-N -1 1 394.428 0.424 20 0 GCADMM CNC(=O)COc1cccc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000830991862 604547477 /nfs/dbraw/zinc/54/74/77/604547477.db2.gz RGHLBCRZGXJQCT-AWEZNQCLSA-N -1 1 377.441 0.361 20 0 GCADMM COCCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)n(C)n1 ZINC000831795876 604621710 /nfs/dbraw/zinc/62/17/10/604621710.db2.gz PTIRWLVTOKMUST-UHFFFAOYSA-N -1 1 397.409 0.895 20 0 GCADMM CN(c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1)S(C)(=O)=O ZINC000833697506 604690362 /nfs/dbraw/zinc/69/03/62/604690362.db2.gz HYIVYZRYFVYEPD-UHFFFAOYSA-N -1 1 385.423 0.976 20 0 GCADMM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c[nH]1 ZINC000833780451 604702519 /nfs/dbraw/zinc/70/25/19/604702519.db2.gz SROPOKLWWLHMBN-HOCLYGCPSA-N -1 1 393.465 0.874 20 0 GCADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c[nH]1 ZINC000833780449 604702889 /nfs/dbraw/zinc/70/28/89/604702889.db2.gz SROPOKLWWLHMBN-GDBMZVCRSA-N -1 1 393.465 0.874 20 0 GCADMM CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC(O)(C(=O)[O-])CC2)CC1 ZINC000833483455 604726576 /nfs/dbraw/zinc/72/65/76/604726576.db2.gz LGGAEEYEVOHEAI-UHFFFAOYSA-N -1 1 383.489 0.299 20 0 GCADMM C[C@@H](C[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC1)C(=O)[O-] ZINC000827449696 604745146 /nfs/dbraw/zinc/74/51/46/604745146.db2.gz NWZQETYIKNXNPQ-NSHDSACASA-N -1 1 381.454 0.408 20 0 GCADMM C[C@@H](CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC1)C(=O)[O-] ZINC000827449696 604745150 /nfs/dbraw/zinc/74/51/50/604745150.db2.gz NWZQETYIKNXNPQ-NSHDSACASA-N -1 1 381.454 0.408 20 0 GCADMM C[C@H](O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C[C@@H]1C ZINC000827803990 604752560 /nfs/dbraw/zinc/75/25/60/604752560.db2.gz QMUFFDXMGYWULR-MPGHIAIKSA-N -1 1 375.469 0.411 20 0 GCADMM C[C@@H](Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N)C(=O)NCC(=O)[O-] ZINC000827922774 604757243 /nfs/dbraw/zinc/75/72/43/604757243.db2.gz YKJOWTHABXTEID-SECBINFHSA-N -1 1 387.425 0.730 20 0 GCADMM Nn1c(SCC(=O)NCCC(=O)[O-])nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000833091166 604758187 /nfs/dbraw/zinc/75/81/87/604758187.db2.gz NXERNWFBKUKZEM-UHFFFAOYSA-N -1 1 387.425 0.732 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)[C@@H]3CC3(C)C)CC2)o1 ZINC000826322747 607715400 /nfs/dbraw/zinc/71/54/00/607715400.db2.gz AIJBIRZXHBDXMF-NSHDSACASA-N -1 1 389.416 0.401 20 0 GCADMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)O1 ZINC000833579840 604826007 /nfs/dbraw/zinc/82/60/07/604826007.db2.gz NHBDODAKNYSXQZ-CQSZACIVSA-N -1 1 381.454 0.604 20 0 GCADMM COC(=O)c1ccc(N2CCN(CCc3cn(CC(=O)[O-])nn3)[C@@H](C)C2)cc1 ZINC000833715933 604866907 /nfs/dbraw/zinc/86/69/07/604866907.db2.gz IZFXXKUTLDLVNX-AWEZNQCLSA-N -1 1 387.440 0.903 20 0 GCADMM COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1C(=O)[O-] ZINC000831390133 604872994 /nfs/dbraw/zinc/87/29/94/604872994.db2.gz MOHITGVSOFZECN-VIFPVBQESA-N -1 1 388.380 0.889 20 0 GCADMM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833396332 604896830 /nfs/dbraw/zinc/89/68/30/604896830.db2.gz RGLHBZMHAALUOE-IRXDYDNUSA-N -1 1 383.408 0.750 20 0 GCADMM C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410176 604937461 /nfs/dbraw/zinc/93/74/61/604937461.db2.gz VFULWYMJJPLHOA-QWRGUYRKSA-N -1 1 380.445 0.060 20 0 GCADMM CC(C)(CO)N1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC000833461990 604949344 /nfs/dbraw/zinc/94/93/44/604949344.db2.gz PJDILIIHMVWUHW-KRWDZBQOSA-N -1 1 375.469 0.413 20 0 GCADMM C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000833633720 604965155 /nfs/dbraw/zinc/96/51/55/604965155.db2.gz ZJQNIRHFDADHNU-AAEUAGOBSA-N -1 1 381.454 0.551 20 0 GCADMM CCc1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)n[nH]1 ZINC000833674849 605004896 /nfs/dbraw/zinc/00/48/96/605004896.db2.gz WWGMQNKEAXQRJG-QMMMGPOBSA-N -1 1 382.398 0.891 20 0 GCADMM CCc1nc([C@@H](C)NS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)[O-])n[nH]1 ZINC000833675153 605005133 /nfs/dbraw/zinc/00/51/33/605005133.db2.gz YLUFILCVFOLLRT-MRVPVSSYSA-N -1 1 382.398 0.891 20 0 GCADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)n[nH]1 ZINC000833511762 605023083 /nfs/dbraw/zinc/02/30/83/605023083.db2.gz CKULIOUKEMCXRU-ZWNOBZJWSA-N -1 1 387.396 0.984 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)c1ccccc1F ZINC000833627144 605056439 /nfs/dbraw/zinc/05/64/39/605056439.db2.gz UQWYNQWYCCFXQJ-CYBMUJFWSA-N -1 1 380.420 0.746 20 0 GCADMM C[C@@H](C[C@H](O)c1cccs1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824392399 607733234 /nfs/dbraw/zinc/73/32/34/607733234.db2.gz NIZBVJPVAOGKJE-IUCAKERBSA-N -1 1 377.430 0.250 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000833618514 605096285 /nfs/dbraw/zinc/09/62/85/605096285.db2.gz BUKYHRHZADUJLS-HZPDHXFCSA-N -1 1 380.489 0.922 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000833625117 605100325 /nfs/dbraw/zinc/10/03/25/605100325.db2.gz WPPHKHBPVRGTIX-KBPBESRZSA-N -1 1 385.461 0.630 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000833618526 605114231 /nfs/dbraw/zinc/11/42/31/605114231.db2.gz CCSISAPMBONFRJ-DOTOQJQBSA-N -1 1 388.468 0.941 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000833624102 605137395 /nfs/dbraw/zinc/13/73/95/605137395.db2.gz JDDATMCAQDJFKP-AWEZNQCLSA-N -1 1 394.447 0.675 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000833627729 605137444 /nfs/dbraw/zinc/13/74/44/605137444.db2.gz ZOZIEOYVCFWTHD-CYBMUJFWSA-N -1 1 388.424 0.473 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1OCC(=O)N(C)C ZINC000833625190 605155852 /nfs/dbraw/zinc/15/58/52/605155852.db2.gz KBRYNIYOLIKIPB-AWEZNQCLSA-N -1 1 377.441 0.775 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000833626924 605159678 /nfs/dbraw/zinc/15/96/78/605159678.db2.gz SIOHKEFAIAQWBE-LLVKDONJSA-N -1 1 378.820 0.937 20 0 GCADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000833621113 605161316 /nfs/dbraw/zinc/16/13/16/605161316.db2.gz MGUSCSCJXGQJCQ-BARDWOONSA-N -1 1 379.457 0.558 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000833626659 605162012 /nfs/dbraw/zinc/16/20/12/605162012.db2.gz QWXWAUKRONMQKU-BBRMVZONSA-N -1 1 387.436 0.513 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000833626092 605162288 /nfs/dbraw/zinc/16/22/88/605162288.db2.gz MWCGXPQBZFERCP-ZDUSSCGKSA-N -1 1 395.481 0.748 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000833628226 605190778 /nfs/dbraw/zinc/19/07/78/605190778.db2.gz DPZRLOFCYKEVOK-GFCCVEGCSA-N -1 1 388.424 0.332 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000833629578 605198437 /nfs/dbraw/zinc/19/84/37/605198437.db2.gz XPBBNXFAFSGNEM-CYBMUJFWSA-N -1 1 383.470 0.509 20 0 GCADMM COC(=O)c1cc(CN2CCO[C@@H](CN3CCN(C)CC3)C2)cc(C(=O)[O-])c1 ZINC000833712649 605204021 /nfs/dbraw/zinc/20/40/21/605204021.db2.gz KUNGSJYCVAKJHL-SFHVURJKSA-N -1 1 391.468 0.620 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000833634152 605208843 /nfs/dbraw/zinc/20/88/43/605208843.db2.gz KPGXUNKVZYDYFI-KBPBESRZSA-N -1 1 387.440 0.332 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CCN1CCC(=O)[O-] ZINC000833617121 605251359 /nfs/dbraw/zinc/25/13/59/605251359.db2.gz AOAPAYCLKNBLJI-OAHLLOKOSA-N -1 1 380.489 0.922 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CCN1CCC(=O)[O-] ZINC000833623549 605252691 /nfs/dbraw/zinc/25/26/91/605252691.db2.gz QVNFPWPRJOROPG-BBRMVZONSA-N -1 1 387.436 0.513 20 0 GCADMM C[C@@H]1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CCN1CCC(=O)[O-] ZINC000833620861 605253915 /nfs/dbraw/zinc/25/39/15/605253915.db2.gz YHPNLZNQSVHTLJ-AEFFLSMTSA-N -1 1 375.469 0.895 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CCN1CCC(=O)[O-] ZINC000833622848 605256985 /nfs/dbraw/zinc/25/69/85/605256985.db2.gz OXWMEAVDGIGEEU-NSHDSACASA-N -1 1 386.246 0.618 20 0 GCADMM C[C@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2F)CCN1CCC(=O)[O-] ZINC000833625401 605277480 /nfs/dbraw/zinc/27/74/80/605277480.db2.gz XVUIPDIOFWZCBO-LBPRGKRZSA-N -1 1 378.404 0.976 20 0 GCADMM C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CCN1CCC(=O)[O-] ZINC000833618618 605278473 /nfs/dbraw/zinc/27/84/73/605278473.db2.gz PMZLTWQNNGRZEA-DDUZABMNSA-N -1 1 391.472 0.337 20 0 GCADMM C[C@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CCN1CCC(=O)[O-] ZINC000833619192 605279154 /nfs/dbraw/zinc/27/91/54/605279154.db2.gz SVPOSSVDMNGPCZ-WSMBLCCSSA-N -1 1 398.529 0.720 20 0 GCADMM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000823972792 607745969 /nfs/dbraw/zinc/74/59/69/607745969.db2.gz GZEMYPNRUCMMPU-RNCFNFMXSA-N -1 1 382.421 0.541 20 0 GCADMM CC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000823972663 607746190 /nfs/dbraw/zinc/74/61/90/607746190.db2.gz DUVXXNOYCJEXIT-SKDRFNHKSA-N -1 1 382.421 0.541 20 0 GCADMM CC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000823972663 607746191 /nfs/dbraw/zinc/74/61/91/607746191.db2.gz DUVXXNOYCJEXIT-SKDRFNHKSA-N -1 1 382.421 0.541 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(COC2CCOCC2)cc1 ZINC000826425726 607762277 /nfs/dbraw/zinc/76/22/77/607762277.db2.gz QJFMZJKTLVLWCJ-UHFFFAOYSA-N -1 1 398.427 0.470 20 0 GCADMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824886419 607767912 /nfs/dbraw/zinc/76/79/12/607767912.db2.gz YPEJKQCRSVANLS-MNOVXSKESA-N -1 1 391.436 0.220 20 0 GCADMM COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000833724408 605919740 /nfs/dbraw/zinc/91/97/40/605919740.db2.gz LVUPWEUVRCEDJJ-GFCCVEGCSA-N -1 1 379.413 0.559 20 0 GCADMM O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823176736 606021933 /nfs/dbraw/zinc/02/19/33/606021933.db2.gz XXUVEQQYHYYZFK-UHFFFAOYSA-N -1 1 383.334 0.792 20 0 GCADMM O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823176736 606021937 /nfs/dbraw/zinc/02/19/37/606021937.db2.gz XXUVEQQYHYYZFK-UHFFFAOYSA-N -1 1 383.334 0.792 20 0 GCADMM Cc1nc(S(=O)(=O)[N-]CCNc2ncccc2-c2nn[nH]n2)sc1C ZINC000822453264 606055621 /nfs/dbraw/zinc/05/56/21/606055621.db2.gz GMLAHMOXFBHRAM-UHFFFAOYSA-N -1 1 380.459 0.725 20 0 GCADMM CC[C@](C)(CCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C1OCCO1 ZINC000820853764 606057546 /nfs/dbraw/zinc/05/75/46/606057546.db2.gz ORYYFAPPUVYXOU-QGZVFWFLSA-N -1 1 393.448 0.245 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000822542453 606066779 /nfs/dbraw/zinc/06/67/79/606066779.db2.gz XUOAWOYBUGEQLO-MWLCHTKSSA-N -1 1 397.461 0.156 20 0 GCADMM NC(=O)Nc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822880684 606122116 /nfs/dbraw/zinc/12/21/16/606122116.db2.gz YKKSENXBWWNEAL-UHFFFAOYSA-N -1 1 391.388 0.975 20 0 GCADMM CC[S@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821447750 606122891 /nfs/dbraw/zinc/12/28/91/606122891.db2.gz KNZXGASRGYBDCS-XNZGRGRPSA-N -1 1 384.487 0.620 20 0 GCADMM CC[S@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821447750 606122893 /nfs/dbraw/zinc/12/28/93/606122893.db2.gz KNZXGASRGYBDCS-XNZGRGRPSA-N -1 1 384.487 0.620 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000820513437 606132566 /nfs/dbraw/zinc/13/25/66/606132566.db2.gz ZULQKUXJEKMZCX-ZCFIWIBFSA-N -1 1 385.369 0.779 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820507987 606133676 /nfs/dbraw/zinc/13/36/76/606133676.db2.gz KWSCHNKKNRGJEB-QMMMGPOBSA-N -1 1 378.414 0.211 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820507987 606133678 /nfs/dbraw/zinc/13/36/78/606133678.db2.gz KWSCHNKKNRGJEB-QMMMGPOBSA-N -1 1 378.414 0.211 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(=O)NCC(F)(F)F ZINC000820513043 606135414 /nfs/dbraw/zinc/13/54/14/606135414.db2.gz SQTLYUUUMFKSDQ-YFKPBYRVSA-N -1 1 392.319 0.862 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(=O)NCC(F)(F)F ZINC000820513043 606135416 /nfs/dbraw/zinc/13/54/16/606135416.db2.gz SQTLYUUUMFKSDQ-YFKPBYRVSA-N -1 1 392.319 0.862 20 0 GCADMM C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nc2ccccc2o1 ZINC000820274891 606138306 /nfs/dbraw/zinc/13/83/06/606138306.db2.gz LOZBQAYXHFPSMD-SECBINFHSA-N -1 1 382.384 0.621 20 0 GCADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820641614 606138534 /nfs/dbraw/zinc/13/85/34/606138534.db2.gz DMTRDTRCXNRQTD-GXTWGEPZSA-N -1 1 381.440 0.722 20 0 GCADMM Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)cn1 ZINC000822674336 606145039 /nfs/dbraw/zinc/14/50/39/606145039.db2.gz QROFACIJWPQKTG-LLVKDONJSA-N -1 1 391.432 0.993 20 0 GCADMM Cc1cccn2cc(CCNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)nc12 ZINC000822366133 606145522 /nfs/dbraw/zinc/14/55/22/606145522.db2.gz CQUMJZFGSSVXDH-UHFFFAOYSA-N -1 1 384.425 0.739 20 0 GCADMM Cc1cccn2cc(CCNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)nc12 ZINC000822366133 606145523 /nfs/dbraw/zinc/14/55/23/606145523.db2.gz CQUMJZFGSSVXDH-UHFFFAOYSA-N -1 1 384.425 0.739 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C3(C)CCC3)CC2)o1 ZINC000822424273 606151211 /nfs/dbraw/zinc/15/12/11/606151211.db2.gz VKHBTIUSOPYXKL-UHFFFAOYSA-N -1 1 389.416 0.545 20 0 GCADMM COc1cc(C)nc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000821712698 606155552 /nfs/dbraw/zinc/15/55/52/606155552.db2.gz LIALJRKNTSLVQM-UHFFFAOYSA-N -1 1 399.419 0.061 20 0 GCADMM COc1cc(C)nc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000821712698 606155554 /nfs/dbraw/zinc/15/55/54/606155554.db2.gz LIALJRKNTSLVQM-UHFFFAOYSA-N -1 1 399.419 0.061 20 0 GCADMM COc1cc(OC)c(OC)cc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821723820 606155604 /nfs/dbraw/zinc/15/56/04/606155604.db2.gz JSVGPFNDEDVJFD-UHFFFAOYSA-N -1 1 388.388 0.948 20 0 GCADMM COc1cc(OC)c(OC)cc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821723820 606155605 /nfs/dbraw/zinc/15/56/05/606155605.db2.gz JSVGPFNDEDVJFD-UHFFFAOYSA-N -1 1 388.388 0.948 20 0 GCADMM Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)n1 ZINC000822198792 606161666 /nfs/dbraw/zinc/16/16/66/606161666.db2.gz KNLRNEDUEYLKIB-GFCCVEGCSA-N -1 1 386.420 0.346 20 0 GCADMM Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)n1 ZINC000822198792 606161667 /nfs/dbraw/zinc/16/16/67/606161667.db2.gz KNLRNEDUEYLKIB-GFCCVEGCSA-N -1 1 386.420 0.346 20 0 GCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000820380230 606161979 /nfs/dbraw/zinc/16/19/79/606161979.db2.gz NRVALUSOKMERPS-MRVPVSSYSA-N -1 1 391.417 0.130 20 0 GCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(S(N)(=O)=O)c1 ZINC000820380230 606161980 /nfs/dbraw/zinc/16/19/80/606161980.db2.gz NRVALUSOKMERPS-MRVPVSSYSA-N -1 1 391.417 0.130 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000822609362 606163237 /nfs/dbraw/zinc/16/32/37/606163237.db2.gz MXAAYXITEGMLFC-UHFFFAOYSA-N -1 1 381.400 0.590 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000822609362 606163238 /nfs/dbraw/zinc/16/32/38/606163238.db2.gz MXAAYXITEGMLFC-UHFFFAOYSA-N -1 1 381.400 0.590 20 0 GCADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCCN(c2cccnn2)C1 ZINC000821571858 606163640 /nfs/dbraw/zinc/16/36/40/606163640.db2.gz ILYYIEZUWFYSRB-NSHDSACASA-N -1 1 383.420 0.523 20 0 GCADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000821571858 606163642 /nfs/dbraw/zinc/16/36/42/606163642.db2.gz ILYYIEZUWFYSRB-NSHDSACASA-N -1 1 383.420 0.523 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC000822614300 606164324 /nfs/dbraw/zinc/16/43/24/606164324.db2.gz LRJCVFVVPQASQL-SNVBAGLBSA-N -1 1 387.379 0.205 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC000822614300 606164325 /nfs/dbraw/zinc/16/43/25/606164325.db2.gz LRJCVFVVPQASQL-SNVBAGLBSA-N -1 1 387.379 0.205 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)n1 ZINC000822620620 606164789 /nfs/dbraw/zinc/16/47/89/606164789.db2.gz ZFJIVRVDMKPMFO-UHFFFAOYSA-N -1 1 377.390 0.616 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2ccc(NS(C)(=O)=O)cc2)n1 ZINC000822620620 606164791 /nfs/dbraw/zinc/16/47/91/606164791.db2.gz ZFJIVRVDMKPMFO-UHFFFAOYSA-N -1 1 377.390 0.616 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000822608195 606166726 /nfs/dbraw/zinc/16/67/26/606166726.db2.gz AKHCELGZGCOANW-UHFFFAOYSA-N -1 1 399.390 0.729 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000822608195 606166728 /nfs/dbraw/zinc/16/67/28/606166728.db2.gz AKHCELGZGCOANW-UHFFFAOYSA-N -1 1 399.390 0.729 20 0 GCADMM COC(=O)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000821640719 606167055 /nfs/dbraw/zinc/16/70/55/606167055.db2.gz NLMGALIODODWKA-LBPRGKRZSA-N -1 1 384.400 0.987 20 0 GCADMM COC(=O)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000821640719 606167057 /nfs/dbraw/zinc/16/70/57/606167057.db2.gz NLMGALIODODWKA-LBPRGKRZSA-N -1 1 384.400 0.987 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)n1 ZINC000822613170 606167708 /nfs/dbraw/zinc/16/77/08/606167708.db2.gz BRXUVKHDEAJXII-MRVPVSSYSA-N -1 1 394.342 0.440 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)n1 ZINC000822613170 606167709 /nfs/dbraw/zinc/16/77/09/606167709.db2.gz BRXUVKHDEAJXII-MRVPVSSYSA-N -1 1 394.342 0.440 20 0 GCADMM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821574695 606171132 /nfs/dbraw/zinc/17/11/32/606171132.db2.gz SMBSBWCOENYPKK-ZDUSSCGKSA-N -1 1 383.416 0.421 20 0 GCADMM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821574695 606171135 /nfs/dbraw/zinc/17/11/35/606171135.db2.gz SMBSBWCOENYPKK-ZDUSSCGKSA-N -1 1 383.416 0.421 20 0 GCADMM COCCN(CCOC)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821689860 606189643 /nfs/dbraw/zinc/18/96/43/606189643.db2.gz PIUQFIINABTCQD-UHFFFAOYSA-N -1 1 378.433 0.638 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](O)COCC(C)C ZINC000822004439 606194476 /nfs/dbraw/zinc/19/44/76/606194476.db2.gz HDPUULVGFURSJC-ZDUSSCGKSA-N -1 1 392.460 0.666 20 0 GCADMM COc1ccc(C(=O)NCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000821769152 606195196 /nfs/dbraw/zinc/19/51/96/606195196.db2.gz DPTQQVABJDUDGL-UHFFFAOYSA-N -1 1 398.379 0.958 20 0 GCADMM COc1ccc(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1[N-]S(C)(=O)=O ZINC000821836013 606252883 /nfs/dbraw/zinc/25/28/83/606252883.db2.gz XSZNMESDQUNOQP-UHFFFAOYSA-N -1 1 377.386 0.827 20 0 GCADMM CCS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000821442383 606292937 /nfs/dbraw/zinc/29/29/37/606292937.db2.gz RDZQBTMFMHZIJG-UHFFFAOYSA-N -1 1 380.430 0.573 20 0 GCADMM Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822467333 606294321 /nfs/dbraw/zinc/29/43/21/606294321.db2.gz LQDMIYWYVXDRJO-UHFFFAOYSA-N -1 1 394.399 0.780 20 0 GCADMM CNC(=O)COc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000821634003 606295195 /nfs/dbraw/zinc/29/51/95/606295195.db2.gz NTSPWEZSVYGXMW-UHFFFAOYSA-N -1 1 398.379 0.958 20 0 GCADMM O=C(CCc1nc(-c2ncccn2)no1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822987568 606296715 /nfs/dbraw/zinc/29/67/15/606296715.db2.gz ZOTJAIKZNZKCKK-UHFFFAOYSA-N -1 1 379.340 0.984 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@@H](c3cnn(C)c3)C2)c(-c2nn[n-]n2)c1C ZINC000822548055 606334898 /nfs/dbraw/zinc/33/48/98/606334898.db2.gz DTQIJVOBXAUXLP-CYBMUJFWSA-N -1 1 386.416 0.822 20 0 GCADMM Nc1nc(SCc2nn[n-]n2)c(-c2nn[nH]n2)cc1C(=O)Nc1ccccc1 ZINC000822907212 606361392 /nfs/dbraw/zinc/36/13/92/606361392.db2.gz BHPDYFBVYLITQM-UHFFFAOYSA-N -1 1 395.412 0.902 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(C)(C)S(C)(=O)=O ZINC000822005060 606366204 /nfs/dbraw/zinc/36/62/04/606366204.db2.gz NQELQEFOVTYWRO-UHFFFAOYSA-N -1 1 396.473 0.456 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=S)N1 ZINC000820636302 606395102 /nfs/dbraw/zinc/39/51/02/606395102.db2.gz REKAHCYJHPWZRT-GFCCVEGCSA-N -1 1 391.482 0.580 20 0 GCADMM COCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821691075 606395685 /nfs/dbraw/zinc/39/56/85/606395685.db2.gz HRLOLSCQSHVZGX-LLVKDONJSA-N -1 1 380.455 0.911 20 0 GCADMM CCCCO[C@@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821071729 606422395 /nfs/dbraw/zinc/42/23/95/606422395.db2.gz KRWNQEZTGJRRLX-VXGBXAGGSA-N -1 1 391.476 0.684 20 0 GCADMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2c3ccccc3nnc2-c2nnn[n-]2)C1=O ZINC000821620488 606422627 /nfs/dbraw/zinc/42/26/27/606422627.db2.gz LJEDICZKQAKEEK-YPMLDQLKSA-N -1 1 393.411 0.942 20 0 GCADMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2c3ccccc3nnc2-c2nn[n-]n2)C1=O ZINC000821620488 606422629 /nfs/dbraw/zinc/42/26/29/606422629.db2.gz LJEDICZKQAKEEK-YPMLDQLKSA-N -1 1 393.411 0.942 20 0 GCADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2c3ccccc3nnc2-c2nnn[n-]2)C1=O ZINC000821620485 606422872 /nfs/dbraw/zinc/42/28/72/606422872.db2.gz LJEDICZKQAKEEK-MGNBDDOMSA-N -1 1 393.411 0.942 20 0 GCADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2c3ccccc3nnc2-c2nn[n-]n2)C1=O ZINC000821620485 606422873 /nfs/dbraw/zinc/42/28/73/606422873.db2.gz LJEDICZKQAKEEK-MGNBDDOMSA-N -1 1 393.411 0.942 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](CC)CN1C(C)=O ZINC000820995626 606433315 /nfs/dbraw/zinc/43/33/15/606433315.db2.gz VDQLHMVMXRTYKD-OLZOCXBDSA-N -1 1 393.473 0.672 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](CC)CN1C(C)=O ZINC000820995626 606433317 /nfs/dbraw/zinc/43/33/17/606433317.db2.gz VDQLHMVMXRTYKD-OLZOCXBDSA-N -1 1 393.473 0.672 20 0 GCADMM C[S@@](=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821942772 606437130 /nfs/dbraw/zinc/43/71/30/606437130.db2.gz QZXYNXFNEUQFTB-XMMPIXPASA-N -1 1 378.439 0.478 20 0 GCADMM C[S@@](=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821942772 606437132 /nfs/dbraw/zinc/43/71/32/606437132.db2.gz QZXYNXFNEUQFTB-XMMPIXPASA-N -1 1 378.439 0.478 20 0 GCADMM CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000821342501 606437225 /nfs/dbraw/zinc/43/72/25/606437225.db2.gz CVSZHBGOINDDMI-UHFFFAOYSA-N -1 1 378.370 0.510 20 0 GCADMM CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000821342501 606437227 /nfs/dbraw/zinc/43/72/27/606437227.db2.gz CVSZHBGOINDDMI-UHFFFAOYSA-N -1 1 378.370 0.510 20 0 GCADMM CO[C@H](C)c1nc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000821675929 606473840 /nfs/dbraw/zinc/47/38/40/606473840.db2.gz WSYIVXMPMALFRP-MRVPVSSYSA-N -1 1 381.443 0.904 20 0 GCADMM CO[C@H](C)c1nc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000821675929 606473842 /nfs/dbraw/zinc/47/38/42/606473842.db2.gz WSYIVXMPMALFRP-MRVPVSSYSA-N -1 1 381.443 0.904 20 0 GCADMM Cc1ccccc1[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H](C)CO1 ZINC000822351616 606476310 /nfs/dbraw/zinc/47/63/10/606476310.db2.gz PLLVKAJSJVTAPR-JSGCOSHPSA-N -1 1 397.439 0.539 20 0 GCADMM CCO[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(CC)CC ZINC000821358676 606477570 /nfs/dbraw/zinc/47/75/70/606477570.db2.gz JYNNCVSSABSKLC-WDEREUQCSA-N -1 1 377.449 0.660 20 0 GCADMM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823201854 606510411 /nfs/dbraw/zinc/51/04/11/606510411.db2.gz MZBVZXFPFDDTDF-UHFFFAOYSA-N -1 1 392.466 0.778 20 0 GCADMM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823201854 606510412 /nfs/dbraw/zinc/51/04/12/606510412.db2.gz MZBVZXFPFDDTDF-UHFFFAOYSA-N -1 1 392.466 0.778 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821588516 606516642 /nfs/dbraw/zinc/51/66/42/606516642.db2.gz WQYBXKVWTOHUME-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821588516 606516644 /nfs/dbraw/zinc/51/66/44/606516644.db2.gz WQYBXKVWTOHUME-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM Cn1cc([C@@H]2[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000821619466 606516881 /nfs/dbraw/zinc/51/68/81/606516881.db2.gz YLGHKUGVCLSLEH-CZUORRHYSA-N -1 1 396.411 0.648 20 0 GCADMM Cn1cc([C@@H]2[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000821619466 606516883 /nfs/dbraw/zinc/51/68/83/606516883.db2.gz YLGHKUGVCLSLEH-CZUORRHYSA-N -1 1 396.411 0.648 20 0 GCADMM CNC(=O)COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000821634057 606518500 /nfs/dbraw/zinc/51/85/00/606518500.db2.gz PXGBZOPOAOQUHN-UHFFFAOYSA-N -1 1 398.379 0.752 20 0 GCADMM CNC(=O)COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000821634057 606518501 /nfs/dbraw/zinc/51/85/01/606518501.db2.gz PXGBZOPOAOQUHN-UHFFFAOYSA-N -1 1 398.379 0.752 20 0 GCADMM CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000821637431 606521693 /nfs/dbraw/zinc/52/16/93/606521693.db2.gz GAOQNOBNFUBXRB-UHFFFAOYSA-N -1 1 384.468 0.828 20 0 GCADMM CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000821637431 606521695 /nfs/dbraw/zinc/52/16/95/606521695.db2.gz GAOQNOBNFUBXRB-UHFFFAOYSA-N -1 1 384.468 0.828 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821846708 606521832 /nfs/dbraw/zinc/52/18/32/606521832.db2.gz YAHPSYFMODMJAX-UHFFFAOYSA-N -1 1 380.411 0.837 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821846708 606521833 /nfs/dbraw/zinc/52/18/33/606521833.db2.gz YAHPSYFMODMJAX-UHFFFAOYSA-N -1 1 380.411 0.837 20 0 GCADMM COC(=O)CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CC1 ZINC000821662880 606522844 /nfs/dbraw/zinc/52/28/44/606522844.db2.gz XUYJJBCILIXFDJ-UHFFFAOYSA-N -1 1 396.411 0.628 20 0 GCADMM COC(=O)CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000821662880 606522847 /nfs/dbraw/zinc/52/28/47/606522847.db2.gz XUYJJBCILIXFDJ-UHFFFAOYSA-N -1 1 396.411 0.628 20 0 GCADMM NC(=O)c1c[nH]c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000822879368 606525086 /nfs/dbraw/zinc/52/50/86/606525086.db2.gz AVQTUDHGWDKFMB-UHFFFAOYSA-N -1 1 397.399 0.122 20 0 GCADMM O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823136421 606532650 /nfs/dbraw/zinc/53/26/50/606532650.db2.gz ZOWODVAUPYCXDY-UHFFFAOYSA-N -1 1 377.324 0.685 20 0 GCADMM O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823136421 606532652 /nfs/dbraw/zinc/53/26/52/606532652.db2.gz ZOWODVAUPYCXDY-UHFFFAOYSA-N -1 1 377.324 0.685 20 0 GCADMM COC(=O)[C@]1(F)CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821653722 606545994 /nfs/dbraw/zinc/54/59/94/606545994.db2.gz ITBZDXNEYLFWCH-KRWDZBQOSA-N -1 1 392.391 0.630 20 0 GCADMM CC(=O)N1CCN([C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@@H]2C)CC1 ZINC000819796759 606550485 /nfs/dbraw/zinc/55/04/85/606550485.db2.gz OJSQVBJWDFUTNB-AAEUAGOBSA-N -1 1 389.485 0.553 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000822535514 606553129 /nfs/dbraw/zinc/55/31/29/606553129.db2.gz VALHOMUGOJGJAV-LLVKDONJSA-N -1 1 382.384 0.408 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000822535514 606553131 /nfs/dbraw/zinc/55/31/31/606553131.db2.gz VALHOMUGOJGJAV-LLVKDONJSA-N -1 1 382.384 0.408 20 0 GCADMM O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823219907 606556136 /nfs/dbraw/zinc/55/61/36/606556136.db2.gz RSYWASSPWIGIPB-UHFFFAOYSA-N -1 1 388.500 0.037 20 0 GCADMM O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823219907 606556137 /nfs/dbraw/zinc/55/61/37/606556137.db2.gz RSYWASSPWIGIPB-UHFFFAOYSA-N -1 1 388.500 0.037 20 0 GCADMM CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821175047 606559902 /nfs/dbraw/zinc/55/99/02/606559902.db2.gz ATSKMXVCNMRMMY-UHFFFAOYSA-N -1 1 391.501 0.945 20 0 GCADMM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822895826 606565695 /nfs/dbraw/zinc/56/56/95/606565695.db2.gz YSFSAKZJXBZHPK-UHFFFAOYSA-N -1 1 382.402 0.645 20 0 GCADMM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822895826 606565697 /nfs/dbraw/zinc/56/56/97/606565697.db2.gz YSFSAKZJXBZHPK-UHFFFAOYSA-N -1 1 382.402 0.645 20 0 GCADMM C[C@@]1(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)NC(=O)NC1=O ZINC000820612919 606578998 /nfs/dbraw/zinc/57/89/98/606578998.db2.gz NRFQGRXLIVKSJJ-HNNXBMFYSA-N -1 1 375.414 0.379 20 0 GCADMM C[C@@]1(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)NC(=O)NC1=O ZINC000820612919 606579000 /nfs/dbraw/zinc/57/90/00/606579000.db2.gz NRFQGRXLIVKSJJ-HNNXBMFYSA-N -1 1 375.414 0.379 20 0 GCADMM Cc1oc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1S(=O)(=O)N(C)C ZINC000822541359 606622465 /nfs/dbraw/zinc/62/24/65/606622465.db2.gz NPQREPWJOKIICO-UHFFFAOYSA-N -1 1 380.390 0.004 20 0 GCADMM Cc1oc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1S(=O)(=O)N(C)C ZINC000822541359 606622466 /nfs/dbraw/zinc/62/24/66/606622466.db2.gz NPQREPWJOKIICO-UHFFFAOYSA-N -1 1 380.390 0.004 20 0 GCADMM Cc1oc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1S(=O)(=O)N(C)C ZINC000822542303 606633144 /nfs/dbraw/zinc/63/31/44/606633144.db2.gz XSANWKQRBWAYSN-UHFFFAOYSA-N -1 1 392.397 0.976 20 0 GCADMM COC(=O)C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CC1 ZINC000821659187 606634466 /nfs/dbraw/zinc/63/44/66/606634466.db2.gz VCFFJELNSSLEGL-SNVBAGLBSA-N -1 1 378.414 0.761 20 0 GCADMM CS(=O)(=O)N1CCC[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)C1 ZINC000821931985 606637916 /nfs/dbraw/zinc/63/79/16/606637916.db2.gz IBDHDMXTMHLCCG-LBPRGKRZSA-N -1 1 388.453 0.853 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820450219 606649387 /nfs/dbraw/zinc/64/93/87/606649387.db2.gz IBCPFWNOEOYMDP-SECBINFHSA-N -1 1 394.438 0.733 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820450219 606649388 /nfs/dbraw/zinc/64/93/88/606649388.db2.gz IBCPFWNOEOYMDP-SECBINFHSA-N -1 1 394.438 0.733 20 0 GCADMM COc1ccc(-n2cc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)nn2)cc1 ZINC000821770825 606687511 /nfs/dbraw/zinc/68/75/11/606687511.db2.gz XVDJBYAXUSTYIL-UHFFFAOYSA-N -1 1 377.368 0.781 20 0 GCADMM COc1ccc(-n2cc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)nn2)cc1 ZINC000821770825 606687512 /nfs/dbraw/zinc/68/75/12/606687512.db2.gz XVDJBYAXUSTYIL-UHFFFAOYSA-N -1 1 377.368 0.781 20 0 GCADMM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)C[C@@H]21 ZINC000821628991 606737642 /nfs/dbraw/zinc/73/76/42/606737642.db2.gz WANMMJVFTPZIMO-RYUDHWBXSA-N -1 1 384.849 0.224 20 0 GCADMM O=S(=O)(N[C@H]1CCN(c2ncccc2F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572716 606745419 /nfs/dbraw/zinc/74/54/19/606745419.db2.gz LGDAOUPOIOCGTM-JTQLQIEISA-N -1 1 390.404 0.353 20 0 GCADMM O=S(=O)(N[C@H]1CCN(c2ncccc2F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572716 606745420 /nfs/dbraw/zinc/74/54/20/606745420.db2.gz LGDAOUPOIOCGTM-JTQLQIEISA-N -1 1 390.404 0.353 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC1CCOCC1 ZINC000820788354 606764600 /nfs/dbraw/zinc/76/46/00/606764600.db2.gz DTYUFTWUZYHJAP-NSHDSACASA-N -1 1 389.489 0.221 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC1CCOCC1 ZINC000820788354 606764602 /nfs/dbraw/zinc/76/46/02/606764602.db2.gz DTYUFTWUZYHJAP-NSHDSACASA-N -1 1 389.489 0.221 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)c1ccc(F)cc1 ZINC000820774997 606767291 /nfs/dbraw/zinc/76/72/91/606767291.db2.gz HMNSWUKOWKEELD-NSHDSACASA-N -1 1 396.386 0.716 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)c1ccc(F)cc1 ZINC000820774997 606767293 /nfs/dbraw/zinc/76/72/93/606767293.db2.gz HMNSWUKOWKEELD-NSHDSACASA-N -1 1 396.386 0.716 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n(C)n1 ZINC000822208363 606768587 /nfs/dbraw/zinc/76/85/87/606768587.db2.gz OOCWGBDTDXDZFV-LLVKDONJSA-N -1 1 383.420 0.441 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n(C)n1 ZINC000822208363 606768589 /nfs/dbraw/zinc/76/85/89/606768589.db2.gz OOCWGBDTDXDZFV-LLVKDONJSA-N -1 1 383.420 0.441 20 0 GCADMM CCNC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821285425 606768853 /nfs/dbraw/zinc/76/88/53/606768853.db2.gz JMLHKDXTZDGKBX-QMMMGPOBSA-N -1 1 392.445 0.223 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1ncsc1=S ZINC000820803949 606768894 /nfs/dbraw/zinc/76/88/94/606768894.db2.gz KCTBBIDHPHFYJO-SECBINFHSA-N -1 1 376.475 0.812 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1ncsc1=S ZINC000820803949 606768895 /nfs/dbraw/zinc/76/88/95/606768895.db2.gz KCTBBIDHPHFYJO-SECBINFHSA-N -1 1 376.475 0.812 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1CCSC1=S ZINC000820803702 606769205 /nfs/dbraw/zinc/76/92/05/606769205.db2.gz FVDQRNPFXFYXQD-JTQLQIEISA-N -1 1 377.503 0.458 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1CCSC1=S ZINC000820803702 606769206 /nfs/dbraw/zinc/76/92/06/606769206.db2.gz FVDQRNPFXFYXQD-JTQLQIEISA-N -1 1 377.503 0.458 20 0 GCADMM CCC[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000821034839 606769444 /nfs/dbraw/zinc/76/94/44/606769444.db2.gz VHZGOUNDXXEVGR-UONOGXRCSA-N -1 1 385.476 0.773 20 0 GCADMM CCC[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000821034839 606769445 /nfs/dbraw/zinc/76/94/45/606769445.db2.gz VHZGOUNDXXEVGR-UONOGXRCSA-N -1 1 385.476 0.773 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)Cc1ccco1 ZINC000820788287 606777515 /nfs/dbraw/zinc/77/75/15/606777515.db2.gz CECRNAQEQIJURL-CYBMUJFWSA-N -1 1 397.443 0.419 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)Cc1ccco1 ZINC000820788287 606777516 /nfs/dbraw/zinc/77/75/16/606777516.db2.gz CECRNAQEQIJURL-CYBMUJFWSA-N -1 1 397.443 0.419 20 0 GCADMM C[C@@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820788298 606777917 /nfs/dbraw/zinc/77/79/17/606777917.db2.gz CLDDXOKVDYDXDS-KGLIPLIRSA-N -1 1 385.476 0.568 20 0 GCADMM C[C@@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820788298 606777919 /nfs/dbraw/zinc/77/79/19/606777919.db2.gz CLDDXOKVDYDXDS-KGLIPLIRSA-N -1 1 385.476 0.568 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC[S@](=O)c1ccccc1 ZINC000820788950 606778081 /nfs/dbraw/zinc/77/80/81/606778081.db2.gz RUEMNTVSLZYDRE-SUMNFNSASA-N -1 1 398.496 0.975 20 0 GCADMM CC1CCN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000820715431 606779334 /nfs/dbraw/zinc/77/93/34/606779334.db2.gz BAVZVILOQGEKEE-CQSZACIVSA-N -1 1 385.476 0.426 20 0 GCADMM CC1CCN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000820715431 606779336 /nfs/dbraw/zinc/77/93/36/606779336.db2.gz BAVZVILOQGEKEE-CQSZACIVSA-N -1 1 385.476 0.426 20 0 GCADMM COC(=O)c1ccoc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821671407 606781349 /nfs/dbraw/zinc/78/13/49/606781349.db2.gz UXBPXSGVZHBZIE-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM COC(=O)c1ccoc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821671407 606781351 /nfs/dbraw/zinc/78/13/51/606781351.db2.gz UXBPXSGVZHBZIE-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc2ccnn2c1 ZINC000820803551 606782709 /nfs/dbraw/zinc/78/27/09/606782709.db2.gz CABIYRGYMTWCSK-GFCCVEGCSA-N -1 1 377.416 0.410 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc2ccnn2c1 ZINC000820803551 606782710 /nfs/dbraw/zinc/78/27/10/606782710.db2.gz CABIYRGYMTWCSK-GFCCVEGCSA-N -1 1 377.416 0.410 20 0 GCADMM COC(=O)c1occc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821671141 606783471 /nfs/dbraw/zinc/78/34/71/606783471.db2.gz JSSFIAHSWRBGTE-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM COC(=O)c1occc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821671141 606783473 /nfs/dbraw/zinc/78/34/73/606783473.db2.gz JSSFIAHSWRBGTE-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1cccc(F)c1 ZINC000820788675 606785145 /nfs/dbraw/zinc/78/51/45/606785145.db2.gz LZYWOEXELIHAQA-GFCCVEGCSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1cccc(F)c1 ZINC000820788675 606785146 /nfs/dbraw/zinc/78/51/46/606785146.db2.gz LZYWOEXELIHAQA-GFCCVEGCSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)[C@H]1CCCO1 ZINC000820352553 606786557 /nfs/dbraw/zinc/78/65/57/606786557.db2.gz VTAGGTACGRTCRW-RWMBFGLXSA-N -1 1 387.448 0.444 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)[C@H]1CCCO1 ZINC000820352553 606786558 /nfs/dbraw/zinc/78/65/58/606786558.db2.gz VTAGGTACGRTCRW-RWMBFGLXSA-N -1 1 387.448 0.444 20 0 GCADMM CC(C)OCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820142510 606787008 /nfs/dbraw/zinc/78/70/08/606787008.db2.gz OHJMEPQTCVASNC-ZDUSSCGKSA-N -1 1 389.464 0.692 20 0 GCADMM CC(C)OCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820142510 606787010 /nfs/dbraw/zinc/78/70/10/606787010.db2.gz OHJMEPQTCVASNC-ZDUSSCGKSA-N -1 1 389.464 0.692 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2COc3ccc(Cl)cc32)n(C)c1=O ZINC000822599299 606789923 /nfs/dbraw/zinc/78/99/23/606789923.db2.gz CHLYOFAIJMDMBB-VIFPVBQESA-N -1 1 375.776 0.463 20 0 GCADMM COCCCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821687144 606791090 /nfs/dbraw/zinc/79/10/90/606791090.db2.gz QOLHACRPJYUEMS-CYBMUJFWSA-N -1 1 389.464 0.694 20 0 GCADMM COCCCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821687144 606791092 /nfs/dbraw/zinc/79/10/92/606791092.db2.gz QOLHACRPJYUEMS-CYBMUJFWSA-N -1 1 389.464 0.694 20 0 GCADMM COCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821686033 606791145 /nfs/dbraw/zinc/79/11/45/606791145.db2.gz YKKFWZZMACYIDF-VXGBXAGGSA-N -1 1 375.437 0.302 20 0 GCADMM COCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821686033 606791146 /nfs/dbraw/zinc/79/11/46/606791146.db2.gz YKKFWZZMACYIDF-VXGBXAGGSA-N -1 1 375.437 0.302 20 0 GCADMM CC[C@H](COC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820909114 606792330 /nfs/dbraw/zinc/79/23/30/606792330.db2.gz UABZCRJFKRCVCL-NWDGAFQWSA-N -1 1 375.437 0.302 20 0 GCADMM CC[C@H](COC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820909114 606792332 /nfs/dbraw/zinc/79/23/32/606792332.db2.gz UABZCRJFKRCVCL-NWDGAFQWSA-N -1 1 375.437 0.302 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C(=O)OC)c(F)c2)c1 ZINC000821667165 606792786 /nfs/dbraw/zinc/79/27/86/606792786.db2.gz XTXWQNWRBLCSMR-UHFFFAOYSA-N -1 1 387.327 0.789 20 0 GCADMM CO[C@H](C)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821673438 606792830 /nfs/dbraw/zinc/79/28/30/606792830.db2.gz AZUGXRKEXGYYCB-VXGBXAGGSA-N -1 1 375.437 0.302 20 0 GCADMM CO[C@H](C)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821673438 606792833 /nfs/dbraw/zinc/79/28/33/606792833.db2.gz AZUGXRKEXGYYCB-VXGBXAGGSA-N -1 1 375.437 0.302 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCSC1 ZINC000820788852 606794163 /nfs/dbraw/zinc/79/41/63/606794163.db2.gz PJXSWPLWLZWPDP-MNOVXSKESA-N -1 1 375.462 0.382 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCSC1 ZINC000820788852 606794166 /nfs/dbraw/zinc/79/41/66/606794166.db2.gz PJXSWPLWLZWPDP-MNOVXSKESA-N -1 1 375.462 0.382 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCSC1 ZINC000820788851 606794223 /nfs/dbraw/zinc/79/42/23/606794223.db2.gz PJXSWPLWLZWPDP-GHMZBOCLSA-N -1 1 375.462 0.382 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCSC1 ZINC000820788851 606794225 /nfs/dbraw/zinc/79/42/25/606794225.db2.gz PJXSWPLWLZWPDP-GHMZBOCLSA-N -1 1 375.462 0.382 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccn1C ZINC000820788417 606794358 /nfs/dbraw/zinc/79/43/58/606794358.db2.gz GUJSGOCPUPVVPO-GFCCVEGCSA-N -1 1 382.432 0.416 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccn1C ZINC000820788417 606794360 /nfs/dbraw/zinc/79/43/60/606794360.db2.gz GUJSGOCPUPVVPO-GFCCVEGCSA-N -1 1 382.432 0.416 20 0 GCADMM CO[C@H](CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000821676657 606795976 /nfs/dbraw/zinc/79/59/76/606795976.db2.gz DCGFCXNAMQDCMF-QWHCGFSZSA-N -1 1 389.464 0.548 20 0 GCADMM CO[C@H](CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000821676657 606795978 /nfs/dbraw/zinc/79/59/78/606795978.db2.gz DCGFCXNAMQDCMF-QWHCGFSZSA-N -1 1 389.464 0.548 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000822459137 606799532 /nfs/dbraw/zinc/79/95/32/606799532.db2.gz NCQXCFXLQPWQSZ-UHFFFAOYSA-N -1 1 394.399 0.525 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000822459137 606799534 /nfs/dbraw/zinc/79/95/34/606799534.db2.gz NCQXCFXLQPWQSZ-UHFFFAOYSA-N -1 1 394.399 0.525 20 0 GCADMM Cc1ccc(OC(F)F)c(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000822263557 606799907 /nfs/dbraw/zinc/79/99/07/606799907.db2.gz SPKGYCVLADXJKC-UHFFFAOYSA-N -1 1 393.354 0.786 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc2nccnc2n1 ZINC000820803946 606806825 /nfs/dbraw/zinc/80/68/25/606806825.db2.gz KBBUUEJNDNTOSM-NSHDSACASA-N -1 1 375.400 0.710 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc2nccnc2n1 ZINC000820803946 606806826 /nfs/dbraw/zinc/80/68/26/606806826.db2.gz KBBUUEJNDNTOSM-NSHDSACASA-N -1 1 375.400 0.710 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820550561 606817951 /nfs/dbraw/zinc/81/79/51/606817951.db2.gz WSAXZSRDDRJUJK-QWHCGFSZSA-N -1 1 395.427 0.556 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820550561 606817952 /nfs/dbraw/zinc/81/79/52/606817952.db2.gz WSAXZSRDDRJUJK-QWHCGFSZSA-N -1 1 395.427 0.556 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000820775372 606821093 /nfs/dbraw/zinc/82/10/93/606821093.db2.gz HTFBMYRTLGQRIX-IUODEOHRSA-N -1 1 392.423 0.698 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000820775372 606821094 /nfs/dbraw/zinc/82/10/94/606821094.db2.gz HTFBMYRTLGQRIX-IUODEOHRSA-N -1 1 392.423 0.698 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000820778979 606821903 /nfs/dbraw/zinc/82/19/03/606821903.db2.gz ZSJKURTUGVLJOA-VXGBXAGGSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000820778979 606821904 /nfs/dbraw/zinc/82/19/04/606821904.db2.gz ZSJKURTUGVLJOA-VXGBXAGGSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cscn1 ZINC000820777172 606822109 /nfs/dbraw/zinc/82/21/09/606822109.db2.gz QCGBUVVDKRZLSH-LLVKDONJSA-N -1 1 385.457 0.783 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cscn1 ZINC000820777172 606822110 /nfs/dbraw/zinc/82/21/10/606822110.db2.gz QCGBUVVDKRZLSH-LLVKDONJSA-N -1 1 385.457 0.783 20 0 GCADMM CCCc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)[nH]n1 ZINC000821138882 606822799 /nfs/dbraw/zinc/82/27/99/606822799.db2.gz JCZAESHIZHBPCG-NSHDSACASA-N -1 1 382.432 0.683 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn2cccnc2n1 ZINC000820788360 606823527 /nfs/dbraw/zinc/82/35/27/606823527.db2.gz FBQJEKAKALPFCH-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn2cccnc2n1 ZINC000820788360 606823528 /nfs/dbraw/zinc/82/35/28/606823528.db2.gz FBQJEKAKALPFCH-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC000820788459 606823662 /nfs/dbraw/zinc/82/36/62/606823662.db2.gz HQAHUIJCIOFNKR-LLVKDONJSA-N -1 1 392.427 0.675 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC000820788459 606823663 /nfs/dbraw/zinc/82/36/63/606823663.db2.gz HQAHUIJCIOFNKR-LLVKDONJSA-N -1 1 392.427 0.675 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccncc1 ZINC000820789169 606823963 /nfs/dbraw/zinc/82/39/63/606823963.db2.gz WXAPWJOCHWZEBC-CYBMUJFWSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccncc1 ZINC000820789169 606823966 /nfs/dbraw/zinc/82/39/66/606823966.db2.gz WXAPWJOCHWZEBC-CYBMUJFWSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1ccnc1 ZINC000820774482 606824531 /nfs/dbraw/zinc/82/45/31/606824531.db2.gz DQJJZDOXBSATDW-CYBMUJFWSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1ccnc1 ZINC000820774482 606824533 /nfs/dbraw/zinc/82/45/33/606824533.db2.gz DQJJZDOXBSATDW-CYBMUJFWSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCC1CCOCC1 ZINC000820776985 606824716 /nfs/dbraw/zinc/82/47/16/606824716.db2.gz ONQBOAGVPBHXDY-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCC1CCOCC1 ZINC000820776985 606824717 /nfs/dbraw/zinc/82/47/17/606824717.db2.gz ONQBOAGVPBHXDY-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCC1(c2ccccc2)CCOCC1 ZINC000823123156 606825327 /nfs/dbraw/zinc/82/53/27/606825327.db2.gz PSKNQGKIPZBWSW-UHFFFAOYSA-N -1 1 394.435 0.893 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccc(O)cc1 ZINC000820776698 606831325 /nfs/dbraw/zinc/83/13/25/606831325.db2.gz MOQRRPBUSXDGJS-LBPRGKRZSA-N -1 1 396.411 0.478 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccc(O)cc1 ZINC000820776698 606831327 /nfs/dbraw/zinc/83/13/27/606831327.db2.gz MOQRRPBUSXDGJS-LBPRGKRZSA-N -1 1 396.411 0.478 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000820789297 606831650 /nfs/dbraw/zinc/83/16/50/606831650.db2.gz ZZUTWGUYSVPABW-JTQLQIEISA-N -1 1 391.399 0.279 20 0 GCADMM COc1ncccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821920084 606832111 /nfs/dbraw/zinc/83/21/11/606832111.db2.gz MHKCQFIRGLIZBS-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM COc1ncccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821920084 606832112 /nfs/dbraw/zinc/83/21/12/606832112.db2.gz MHKCQFIRGLIZBS-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(CCc2ccc(F)cc2)C2CC2)n(C)c1=O ZINC000822600728 606834966 /nfs/dbraw/zinc/83/49/66/606834966.db2.gz RDQKZOPDFNFOFP-UHFFFAOYSA-N -1 1 385.403 0.615 20 0 GCADMM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821334284 606840371 /nfs/dbraw/zinc/84/03/71/606840371.db2.gz LLGIBXDKZJAORV-UHFFFAOYSA-N -1 1 384.393 0.469 20 0 GCADMM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820012083 606843473 /nfs/dbraw/zinc/84/34/73/606843473.db2.gz UIMKIIBUFLHEEP-GFCCVEGCSA-N -1 1 396.448 0.931 20 0 GCADMM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821160367 606843833 /nfs/dbraw/zinc/84/38/33/606843833.db2.gz JSBSDAQBSZTYBV-SECBINFHSA-N -1 1 391.450 0.450 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(c2cccnn2)CC1 ZINC000823606872 606844441 /nfs/dbraw/zinc/84/44/41/606844441.db2.gz OLQTXCXKLLTRRF-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCn2c(nnc2C2CC2)C1 ZINC000823605889 606844602 /nfs/dbraw/zinc/84/46/02/606844602.db2.gz CETPDDSSSLVEKQ-UHFFFAOYSA-N -1 1 390.404 0.679 20 0 GCADMM CNC(=O)CC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821632635 606845100 /nfs/dbraw/zinc/84/51/00/606845100.db2.gz BEOUQOIOFBFQPX-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823600316 606845711 /nfs/dbraw/zinc/84/57/11/606845711.db2.gz GDVQXUVPCLVADX-ZDUSSCGKSA-N -1 1 397.432 0.964 20 0 GCADMM CC(C)CCS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820076168 606847372 /nfs/dbraw/zinc/84/73/72/606847372.db2.gz DWVGNCMHYMSHQG-LBPRGKRZSA-N -1 1 380.478 0.543 20 0 GCADMM CC(C)CCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820076168 606847373 /nfs/dbraw/zinc/84/73/73/606847373.db2.gz DWVGNCMHYMSHQG-LBPRGKRZSA-N -1 1 380.478 0.543 20 0 GCADMM CC[C@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820870013 606847912 /nfs/dbraw/zinc/84/79/12/606847912.db2.gz LAEPYYNZSLDFDA-NWDGAFQWSA-N -1 1 380.478 0.543 20 0 GCADMM CC[C@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820870013 606847913 /nfs/dbraw/zinc/84/79/13/606847913.db2.gz LAEPYYNZSLDFDA-NWDGAFQWSA-N -1 1 380.478 0.543 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C1CCCCC1 ZINC000820804413 606847945 /nfs/dbraw/zinc/84/79/45/606847945.db2.gz RWAWOPKVABPKBC-LBPRGKRZSA-N -1 1 392.489 0.830 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C1CCCCC1 ZINC000820804413 606847946 /nfs/dbraw/zinc/84/79/46/606847946.db2.gz RWAWOPKVABPKBC-LBPRGKRZSA-N -1 1 392.489 0.830 20 0 GCADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820736011 606848070 /nfs/dbraw/zinc/84/80/70/606848070.db2.gz WKQGWMVXELMCHT-ZWNOBZJWSA-N -1 1 391.457 0.187 20 0 GCADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820736011 606848072 /nfs/dbraw/zinc/84/80/72/606848072.db2.gz WKQGWMVXELMCHT-ZWNOBZJWSA-N -1 1 391.457 0.187 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccnc1N(C)C ZINC000820788397 606855083 /nfs/dbraw/zinc/85/50/83/606855083.db2.gz GEVGIFBVFYYSHH-GFCCVEGCSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccnc1N(C)C ZINC000820788397 606855084 /nfs/dbraw/zinc/85/50/84/606855084.db2.gz GEVGIFBVFYYSHH-GFCCVEGCSA-N -1 1 394.443 0.469 20 0 GCADMM COc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821838080 606855525 /nfs/dbraw/zinc/85/55/25/606855525.db2.gz KDNOMEWUEMHWNB-LLVKDONJSA-N -1 1 396.411 0.722 20 0 GCADMM COc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821838080 606855526 /nfs/dbraw/zinc/85/55/26/606855526.db2.gz KDNOMEWUEMHWNB-LLVKDONJSA-N -1 1 396.411 0.722 20 0 GCADMM CCc1ncncc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821517004 606855558 /nfs/dbraw/zinc/85/55/58/606855558.db2.gz FQQCHBTUSAZAID-LLVKDONJSA-N -1 1 380.416 0.360 20 0 GCADMM CCc1ncncc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821517004 606855560 /nfs/dbraw/zinc/85/55/60/606855560.db2.gz FQQCHBTUSAZAID-LLVKDONJSA-N -1 1 380.416 0.360 20 0 GCADMM CCc1onc(C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821564259 606855585 /nfs/dbraw/zinc/85/55/85/606855585.db2.gz ZQSBFOAIERIJJT-JTQLQIEISA-N -1 1 383.416 0.866 20 0 GCADMM CCc1onc(C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821564259 606855587 /nfs/dbraw/zinc/85/55/87/606855587.db2.gz ZQSBFOAIERIJJT-JTQLQIEISA-N -1 1 383.416 0.866 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCCO[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000821979286 606855673 /nfs/dbraw/zinc/85/56/73/606855673.db2.gz QPOADVWMCFDILJ-VIFPVBQESA-N -1 1 380.430 0.615 20 0 GCADMM Cc1nn(C)c2c1N(C(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)CCO2 ZINC000822496520 606862222 /nfs/dbraw/zinc/86/22/22/606862222.db2.gz OYOJPRUACMGPQX-UHFFFAOYSA-N -1 1 398.427 0.984 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000819797336 606873570 /nfs/dbraw/zinc/87/35/70/606873570.db2.gz ZZKGMZFGENDZIV-VIFPVBQESA-N -1 1 384.849 0.761 20 0 GCADMM O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572746 606873954 /nfs/dbraw/zinc/87/39/54/606873954.db2.gz LOMJGJBRVAWDBT-HIFRSBDPSA-N -1 1 393.473 0.183 20 0 GCADMM O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572746 606873956 /nfs/dbraw/zinc/87/39/56/606873956.db2.gz LOMJGJBRVAWDBT-HIFRSBDPSA-N -1 1 393.473 0.183 20 0 GCADMM O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572749 606874030 /nfs/dbraw/zinc/87/40/30/606874030.db2.gz LOMJGJBRVAWDBT-ZFWWWQNUSA-N -1 1 393.473 0.183 20 0 GCADMM O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572749 606874032 /nfs/dbraw/zinc/87/40/32/606874032.db2.gz LOMJGJBRVAWDBT-ZFWWWQNUSA-N -1 1 393.473 0.183 20 0 GCADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000820184273 606874685 /nfs/dbraw/zinc/87/46/85/606874685.db2.gz ZAFUOXPUOUCPFQ-GFCCVEGCSA-N -1 1 382.446 0.906 20 0 GCADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000820184273 606874686 /nfs/dbraw/zinc/87/46/86/606874686.db2.gz ZAFUOXPUOUCPFQ-GFCCVEGCSA-N -1 1 382.446 0.906 20 0 GCADMM COCc1nc2n(n1)C[C@H](Nc1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000821696732 606877293 /nfs/dbraw/zinc/87/72/93/606877293.db2.gz NYOWNDUJJMNIES-SNVBAGLBSA-N -1 1 378.400 0.975 20 0 GCADMM COCc1nc2n(n1)C[C@H](Nc1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000821696732 606877294 /nfs/dbraw/zinc/87/72/94/606877294.db2.gz NYOWNDUJJMNIES-SNVBAGLBSA-N -1 1 378.400 0.975 20 0 GCADMM CCO[C@@H]1C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCC2 ZINC000821359522 606880145 /nfs/dbraw/zinc/88/01/45/606880145.db2.gz NQJYJMGYSBEROS-WDEREUQCSA-N -1 1 375.433 0.048 20 0 GCADMM CCO[C@H]1C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCC2 ZINC000821359520 606880466 /nfs/dbraw/zinc/88/04/66/606880466.db2.gz NQJYJMGYSBEROS-QWRGUYRKSA-N -1 1 375.433 0.048 20 0 GCADMM CCO[C@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCC2 ZINC000821359518 606880489 /nfs/dbraw/zinc/88/04/89/606880489.db2.gz NQJYJMGYSBEROS-MNOVXSKESA-N -1 1 375.433 0.048 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nnc1C ZINC000822208564 606908329 /nfs/dbraw/zinc/90/83/29/606908329.db2.gz XUFLSNCNKDGDQH-NSHDSACASA-N -1 1 395.431 0.806 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nnc1C ZINC000822208564 606908330 /nfs/dbraw/zinc/90/83/30/606908330.db2.gz XUFLSNCNKDGDQH-NSHDSACASA-N -1 1 395.431 0.806 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC000821979760 606914771 /nfs/dbraw/zinc/91/47/71/606914771.db2.gz WGYYLYZYRKFPAG-KCJUWKMLSA-N -1 1 391.457 0.853 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000822004775 606943590 /nfs/dbraw/zinc/94/35/90/606943590.db2.gz KNDPANDGTSIRGA-NSHDSACASA-N -1 1 387.400 0.180 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@H]2CCCC[C@H]2N1 ZINC000823536196 606943740 /nfs/dbraw/zinc/94/37/40/606943740.db2.gz VHGKODWSKPMBPI-OLZOCXBDSA-N -1 1 380.405 0.438 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000822005177 606982559 /nfs/dbraw/zinc/98/25/59/606982559.db2.gz PEJYWNJQEZNRCL-KBPBESRZSA-N -1 1 399.455 0.786 20 0 GCADMM C[C@H](O)C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000820473767 607045912 /nfs/dbraw/zinc/04/59/12/607045912.db2.gz LNKKBTCQLWAODT-AAEUAGOBSA-N -1 1 385.428 0.231 20 0 GCADMM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820994872 607063639 /nfs/dbraw/zinc/06/36/39/607063639.db2.gz LKDODPNKMYFHBZ-NXEZZACHSA-N -1 1 384.487 0.718 20 0 GCADMM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820994872 607063641 /nfs/dbraw/zinc/06/36/41/607063641.db2.gz LKDODPNKMYFHBZ-NXEZZACHSA-N -1 1 384.487 0.718 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NOCC(F)(F)F ZINC000820788372 607065294 /nfs/dbraw/zinc/06/52/94/607065294.db2.gz FJSFVPUFZPLDJH-QMMMGPOBSA-N -1 1 387.326 0.371 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NOCC(F)(F)F ZINC000820788372 607065297 /nfs/dbraw/zinc/06/52/97/607065297.db2.gz FJSFVPUFZPLDJH-QMMMGPOBSA-N -1 1 387.326 0.371 20 0 GCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000823521752 607104236 /nfs/dbraw/zinc/10/42/36/607104236.db2.gz ZTTARSGRIWFAFY-SNVBAGLBSA-N -1 1 383.393 0.781 20 0 GCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000823521752 607104237 /nfs/dbraw/zinc/10/42/37/607104237.db2.gz ZTTARSGRIWFAFY-SNVBAGLBSA-N -1 1 383.393 0.781 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822969393 607106662 /nfs/dbraw/zinc/10/66/62/607106662.db2.gz NKUWBULTOCEYHA-UHFFFAOYSA-N -1 1 397.417 0.769 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822969393 607106664 /nfs/dbraw/zinc/10/66/64/607106664.db2.gz NKUWBULTOCEYHA-UHFFFAOYSA-N -1 1 397.417 0.769 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOC2(CCOCC2)C1 ZINC000823605895 607146573 /nfs/dbraw/zinc/14/65/73/607146573.db2.gz CIAJNFCGMODBQK-UHFFFAOYSA-N -1 1 383.405 0.576 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(-c3ccc(F)c(C)c3)no2)c1=O ZINC000821565214 607160688 /nfs/dbraw/zinc/16/06/88/607160688.db2.gz IZNLEPKTWNYEML-UHFFFAOYSA-N -1 1 398.358 0.756 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCS(=O)(=O)CC2CC2)cc1-c1nn[n-]n1 ZINC000821976822 607160750 /nfs/dbraw/zinc/16/07/50/607160750.db2.gz DRGJOINHMAGOAH-UHFFFAOYSA-N -1 1 398.470 0.244 20 0 GCADMM CS[C@H](CO)[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821948601 607187183 /nfs/dbraw/zinc/18/71/83/607187183.db2.gz CXFTWWGCMMYJOZ-CMPLNLGQSA-N -1 1 380.474 0.745 20 0 GCADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820564050 607205682 /nfs/dbraw/zinc/20/56/82/607205682.db2.gz XWLVXDVJFFGOEK-LLVKDONJSA-N -1 1 379.388 0.259 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000823136154 607206647 /nfs/dbraw/zinc/20/66/47/607206647.db2.gz MGFOAQHRPBFEOI-UHFFFAOYSA-N -1 1 395.305 0.389 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000823131771 607207793 /nfs/dbraw/zinc/20/77/93/607207793.db2.gz NTICFFPMBIBVCW-UHFFFAOYSA-N -1 1 376.764 0.199 20 0 GCADMM C[C@@H]1CN(Cc2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC000820758627 607208031 /nfs/dbraw/zinc/20/80/31/607208031.db2.gz AOOMQEUZSZWRQA-CHWSQXEVSA-N -1 1 397.443 0.706 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccnc(Oc2ccccc2)c1 ZINC000823131645 607208263 /nfs/dbraw/zinc/20/82/63/607208263.db2.gz LAQREFWSKDFHNJ-UHFFFAOYSA-N -1 1 377.368 0.962 20 0 GCADMM Cc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1C(=O)N1CCCC1 ZINC000822324040 607208269 /nfs/dbraw/zinc/20/82/69/607208269.db2.gz SWVIWCRFAXFWTR-UHFFFAOYSA-N -1 1 381.400 0.641 20 0 GCADMM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)nc1 ZINC000822242290 607208937 /nfs/dbraw/zinc/20/89/37/607208937.db2.gz HBXJIBJFUNIBJE-GFCCVEGCSA-N -1 1 396.415 0.039 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000823130993 607209099 /nfs/dbraw/zinc/20/90/99/607209099.db2.gz AUMIQWGBSWHLPN-UHFFFAOYSA-N -1 1 390.411 0.449 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000823125703 607209791 /nfs/dbraw/zinc/20/97/91/607209791.db2.gz BKPCAUJWHNVILG-INIZCTEOSA-N -1 1 375.396 0.892 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819939401 607211021 /nfs/dbraw/zinc/21/10/21/607211021.db2.gz ASFMRZGAMLYTKZ-LLVKDONJSA-N -1 1 391.436 0.364 20 0 GCADMM CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000821081826 607212055 /nfs/dbraw/zinc/21/20/55/607212055.db2.gz AZTGYCKKBLOMCK-LBPRGKRZSA-N -1 1 383.416 0.724 20 0 GCADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821015155 607212109 /nfs/dbraw/zinc/21/21/09/607212109.db2.gz OMZZMJNSSMBUHH-NWDGAFQWSA-N -1 1 375.437 0.002 20 0 GCADMM CC(C)(C)OC(=O)N1CCC(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000819933027 607212369 /nfs/dbraw/zinc/21/23/69/607212369.db2.gz COCTYTGTEGBGNW-UHFFFAOYSA-N -1 1 391.436 0.222 20 0 GCADMM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822242718 607212836 /nfs/dbraw/zinc/21/28/36/607212836.db2.gz VINUQZSUPVEUNL-LBPRGKRZSA-N -1 1 399.440 0.307 20 0 GCADMM O=C(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2ccccc21 ZINC000823127069 607213257 /nfs/dbraw/zinc/21/32/57/607213257.db2.gz RRPYEMGKLJJQLO-UHFFFAOYSA-N -1 1 377.368 0.366 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1)C(=O)OC(C)(C)C ZINC000821596624 607214021 /nfs/dbraw/zinc/21/40/21/607214021.db2.gz PXKJXUWJNJKCBA-NSHDSACASA-N -1 1 391.436 0.174 20 0 GCADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821321178 607214959 /nfs/dbraw/zinc/21/49/59/607214959.db2.gz VLYOEDHLFNXDLH-ZDUSSCGKSA-N -1 1 384.400 0.091 20 0 GCADMM COCCN(Cc1ccc(F)cc1Cl)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821690710 607215291 /nfs/dbraw/zinc/21/52/91/607215291.db2.gz WQTNKODSLLMKGD-UHFFFAOYSA-N -1 1 394.798 0.926 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000823131931 607215765 /nfs/dbraw/zinc/21/57/65/607215765.db2.gz RCRGLUVODURASK-LLVKDONJSA-N -1 1 388.363 0.794 20 0 GCADMM CCc1ccc2c(c1)[C@@H](CCNC(=O)Cn1cnc(-c3nn[n-]n3)n1)C(=O)N2 ZINC000821486807 607216034 /nfs/dbraw/zinc/21/60/34/607216034.db2.gz MJNOYLXTMYNATH-LLVKDONJSA-N -1 1 381.400 0.263 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000820735093 607216485 /nfs/dbraw/zinc/21/64/85/607216485.db2.gz QDUGKPLIRZCUPD-GHMZBOCLSA-N -1 1 391.436 0.315 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc(COC2CCOCC2)c1 ZINC000823131537 607217366 /nfs/dbraw/zinc/21/73/66/607217366.db2.gz IUWWVDCAEMXECE-UHFFFAOYSA-N -1 1 398.427 0.470 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC000819933427 607219506 /nfs/dbraw/zinc/21/95/06/607219506.db2.gz RFZBDORDSKREKW-UHFFFAOYSA-N -1 1 391.436 0.316 20 0 GCADMM Cn1ccnc1C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000822698820 607220208 /nfs/dbraw/zinc/22/02/08/607220208.db2.gz GQPZALOSBXWPQJ-ZDUSSCGKSA-N -1 1 378.400 0.292 20 0 GCADMM CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821593605 607221600 /nfs/dbraw/zinc/22/16/00/607221600.db2.gz BCTPRAGMFCLQKU-UHFFFAOYSA-N -1 1 393.452 0.468 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC1CCN(CC(F)(F)F)CC1 ZINC000823127002 607221789 /nfs/dbraw/zinc/22/17/89/607221789.db2.gz QMJKBQPHFXYRLH-UHFFFAOYSA-N -1 1 387.370 0.239 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000823127131 607222090 /nfs/dbraw/zinc/22/20/90/607222090.db2.gz UJPFECWWSDZUCY-LLVKDONJSA-N -1 1 387.791 0.033 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1csc(-c2ccccc2)n1 ZINC000823132087 607222494 /nfs/dbraw/zinc/22/24/94/607222494.db2.gz ZBNBCBRUFSAWIN-UHFFFAOYSA-N -1 1 381.425 0.941 20 0 GCADMM COc1ccc(OC(F)F)c(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821837369 607223043 /nfs/dbraw/zinc/22/30/43/607223043.db2.gz CUWHYMIDVPKNTQ-UHFFFAOYSA-N -1 1 380.315 0.385 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1ccc(C(F)(F)F)cn1 ZINC000823131928 607223933 /nfs/dbraw/zinc/22/39/33/607223933.db2.gz RBMRUCRZJZGAMC-UHFFFAOYSA-N -1 1 383.294 0.067 20 0 GCADMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819946861 607224172 /nfs/dbraw/zinc/22/41/72/607224172.db2.gz UMYRIHLQAQUMCA-CYBMUJFWSA-N -1 1 398.427 0.527 20 0 GCADMM COC(=O)C(C)(C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821637470 607224474 /nfs/dbraw/zinc/22/44/74/607224474.db2.gz HFCOOTGJKUVXGJ-CYBMUJFWSA-N -1 1 384.400 0.515 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000823125709 607224511 /nfs/dbraw/zinc/22/45/11/607224511.db2.gz BSPKHWHKNLDNLD-SNVBAGLBSA-N -1 1 382.306 0.327 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000823125710 607224517 /nfs/dbraw/zinc/22/45/17/607224517.db2.gz BTSNQEAOZAGPAL-JTQLQIEISA-N -1 1 382.306 0.327 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000823126997 607224645 /nfs/dbraw/zinc/22/46/45/607224645.db2.gz QDAPJRKPBMUMGO-SNVBAGLBSA-N -1 1 383.199 0.615 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000823127211 607224737 /nfs/dbraw/zinc/22/47/37/607224737.db2.gz WQVRLFBCPRLOHC-SECBINFHSA-N -1 1 383.199 0.615 20 0 GCADMM CC(C)(C)OC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000819945785 607225556 /nfs/dbraw/zinc/22/55/56/607225556.db2.gz DQJJXMKDFXSUCG-ZDUSSCGKSA-N -1 1 384.400 0.657 20 0 GCADMM O=C(Nc1ccccc1Oc1ncccc1-c1nn[n-]n1)C(=O)N[C@H]1CCOC1 ZINC000826457750 607776154 /nfs/dbraw/zinc/77/61/54/607776154.db2.gz OLIFAGLCDANGJF-NSHDSACASA-N -1 1 395.379 0.898 20 0 GCADMM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826222644 607811800 /nfs/dbraw/zinc/81/18/00/607811800.db2.gz FYENDXRRSDMNFX-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826222644 607811801 /nfs/dbraw/zinc/81/18/01/607811801.db2.gz FYENDXRRSDMNFX-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(Cn2ccnn2)CC1 ZINC000826495116 607812576 /nfs/dbraw/zinc/81/25/76/607812576.db2.gz CWIRPEBSTKZOHA-UHFFFAOYSA-N -1 1 392.420 0.698 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCN1CCNC(=O)C1 ZINC000826340520 607813344 /nfs/dbraw/zinc/81/33/44/607813344.db2.gz BCHZNRPNKQNVAW-UHFFFAOYSA-N -1 1 398.427 0.111 20 0 GCADMM CC(=O)NC[C@@H](C)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000823994967 607837247 /nfs/dbraw/zinc/83/72/47/607837247.db2.gz VERLLEWDAQUTGE-SECBINFHSA-N -1 1 386.416 0.527 20 0 GCADMM CC(=O)NC[C@@H](C)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000823994967 607837248 /nfs/dbraw/zinc/83/72/48/607837248.db2.gz VERLLEWDAQUTGE-SECBINFHSA-N -1 1 386.416 0.527 20 0 GCADMM C[C@H](NC(=O)COc1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCCCC1 ZINC000824480084 607865914 /nfs/dbraw/zinc/86/59/14/607865914.db2.gz SRKMAWDCRFGXAX-NSHDSACASA-N -1 1 376.392 0.902 20 0 GCADMM C[C@H](NC(=O)COc1cccc(F)c1-c1nn[n-]n1)C(=O)N1CCCCC1 ZINC000824480084 607865915 /nfs/dbraw/zinc/86/59/15/607865915.db2.gz SRKMAWDCRFGXAX-NSHDSACASA-N -1 1 376.392 0.902 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)C1CCS(=O)(=O)CC1 ZINC000826496570 607868757 /nfs/dbraw/zinc/86/87/57/607868757.db2.gz ADROENQQFJICGA-UHFFFAOYSA-N -1 1 376.391 0.292 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)C1CCS(=O)(=O)CC1 ZINC000826496570 607868758 /nfs/dbraw/zinc/86/87/58/607868758.db2.gz ADROENQQFJICGA-UHFFFAOYSA-N -1 1 376.391 0.292 20 0 GCADMM O=C(NCCN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)c1ccccc1F ZINC000826437684 607899473 /nfs/dbraw/zinc/89/94/73/607899473.db2.gz XHGGTVNVPKJNCR-UHFFFAOYSA-N -1 1 396.430 0.953 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3cccc(-c4nnn[n-]4)n3)cn2)C[C@@H](C)O1 ZINC000824970367 607900713 /nfs/dbraw/zinc/90/07/13/607900713.db2.gz WQNJXNIDMCJKGA-VXGBXAGGSA-N -1 1 383.416 0.838 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(Nc3cccc(-c4nn[n-]n4)n3)cn2)C[C@@H](C)O1 ZINC000824970367 607900714 /nfs/dbraw/zinc/90/07/14/607900714.db2.gz WQNJXNIDMCJKGA-VXGBXAGGSA-N -1 1 383.416 0.838 20 0 GCADMM CC(=O)c1ccc2c(c1)CCN(c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CC2 ZINC000824029573 607903602 /nfs/dbraw/zinc/90/36/02/607903602.db2.gz OALBZDPDEJLLRG-UHFFFAOYSA-N -1 1 395.423 0.072 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(-n2ccnn2)cc1 ZINC000824649429 607904150 /nfs/dbraw/zinc/90/41/50/607904150.db2.gz LVTMWJBAONYJDO-JTQLQIEISA-N -1 1 394.399 0.018 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825210467 607907117 /nfs/dbraw/zinc/90/71/17/607907117.db2.gz HGGPFDVOZHHEBG-WCQYABFASA-N -1 1 396.448 0.931 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825210467 607907118 /nfs/dbraw/zinc/90/71/18/607907118.db2.gz HGGPFDVOZHHEBG-WCQYABFASA-N -1 1 396.448 0.931 20 0 GCADMM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826363783 607907383 /nfs/dbraw/zinc/90/73/83/607907383.db2.gz BMPHDNQXKHNFFJ-JTQLQIEISA-N -1 1 377.405 0.918 20 0 GCADMM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826363783 607907384 /nfs/dbraw/zinc/90/73/84/607907384.db2.gz BMPHDNQXKHNFFJ-JTQLQIEISA-N -1 1 377.405 0.918 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(-c3nn[nH]n3)ccc2OC)co1 ZINC000826090415 607919259 /nfs/dbraw/zinc/91/92/59/607919259.db2.gz HGOIXVBHUDOEKN-UHFFFAOYSA-N -1 1 393.381 0.733 20 0 GCADMM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)n1ncc(-c3nn[n-]n3)c1N)C2=O ZINC000824875202 607960944 /nfs/dbraw/zinc/96/09/44/607960944.db2.gz JONFANLFMCGEJQ-RKDXNWHRSA-N -1 1 387.404 0.032 20 0 GCADMM CCS(=O)(=O)c1ccc(CCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000825668150 607963372 /nfs/dbraw/zinc/96/33/72/607963372.db2.gz BQNNMXZWFWRRFG-UHFFFAOYSA-N -1 1 389.441 0.965 20 0 GCADMM CCS(=O)(=O)c1ccc(CCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000825668150 607963373 /nfs/dbraw/zinc/96/33/73/607963373.db2.gz BQNNMXZWFWRRFG-UHFFFAOYSA-N -1 1 389.441 0.965 20 0 GCADMM Cn1cc(-c2ccccc2CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1 ZINC000826356223 607966647 /nfs/dbraw/zinc/96/66/47/607966647.db2.gz HGUQPRCMYLDGGK-UHFFFAOYSA-N -1 1 393.411 0.277 20 0 GCADMM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCSC1 ZINC000826124093 607973372 /nfs/dbraw/zinc/97/33/72/607973372.db2.gz OCCHMUNXSKBDEH-CYBMUJFWSA-N -1 1 387.418 0.333 20 0 GCADMM COC(=O)[C@]1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCSC1 ZINC000826125040 607973730 /nfs/dbraw/zinc/97/37/30/607973730.db2.gz ZQWBPBZYCLAYKE-ZDUSSCGKSA-N -1 1 387.418 0.333 20 0 GCADMM COC(=O)[C@]1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCSC1 ZINC000826125040 607973731 /nfs/dbraw/zinc/97/37/31/607973731.db2.gz ZQWBPBZYCLAYKE-ZDUSSCGKSA-N -1 1 387.418 0.333 20 0 GCADMM CN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825887410 607975965 /nfs/dbraw/zinc/97/59/65/607975965.db2.gz GLTLPXYEJMGUQT-VIFPVBQESA-N -1 1 390.347 0.395 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC000824876527 607988251 /nfs/dbraw/zinc/98/82/51/607988251.db2.gz SWAMBBDTIZFCHU-OKILXGFUSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC000824876527 607988252 /nfs/dbraw/zinc/98/82/52/607988252.db2.gz SWAMBBDTIZFCHU-OKILXGFUSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC000824876529 607988459 /nfs/dbraw/zinc/98/84/59/607988459.db2.gz SWAMBBDTIZFCHU-ZIAGYGMSSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC000824876529 607988460 /nfs/dbraw/zinc/98/84/60/607988460.db2.gz SWAMBBDTIZFCHU-ZIAGYGMSSA-N -1 1 385.476 0.283 20 0 GCADMM CCS(=O)(=O)CCN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825663787 607991666 /nfs/dbraw/zinc/99/16/66/607991666.db2.gz WBYYSFUURIVVCY-SNVBAGLBSA-N -1 1 384.462 0.770 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824103846 607997741 /nfs/dbraw/zinc/99/77/41/607997741.db2.gz JYRVJVGHWPINHK-JQWIXIFHSA-N -1 1 390.400 0.881 20 0 GCADMM Cc1c(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)cnn1C ZINC000826327940 608000047 /nfs/dbraw/zinc/00/00/47/608000047.db2.gz AECRTIXOQIIRTI-UHFFFAOYSA-N -1 1 394.443 0.817 20 0 GCADMM Cc1c(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)cnn1C ZINC000826327940 608000048 /nfs/dbraw/zinc/00/00/48/608000048.db2.gz AECRTIXOQIIRTI-UHFFFAOYSA-N -1 1 394.443 0.817 20 0 GCADMM COC[C@H](CCO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826149334 608000555 /nfs/dbraw/zinc/00/05/55/608000555.db2.gz FLZKJVVTJVFNES-VIFPVBQESA-N -1 1 395.363 0.561 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1cccc(C(F)(F)F)n1 ZINC000826425472 608002753 /nfs/dbraw/zinc/00/27/53/608002753.db2.gz FTTKPNJDMHYRKC-UHFFFAOYSA-N -1 1 383.294 0.067 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCC[C@@H](C)CO ZINC000826328577 608006000 /nfs/dbraw/zinc/00/60/00/608006000.db2.gz WGLIXECLCFBXEC-LLVKDONJSA-N -1 1 386.460 0.984 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCC[C@@H](C)CO ZINC000826328577 608006001 /nfs/dbraw/zinc/00/60/01/608006001.db2.gz WGLIXECLCFBXEC-LLVKDONJSA-N -1 1 386.460 0.984 20 0 GCADMM COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)c(F)c1 ZINC000826103661 608008493 /nfs/dbraw/zinc/00/84/93/608008493.db2.gz JREOJJMIJIIOKX-NSHDSACASA-N -1 1 394.754 0.281 20 0 GCADMM CCS(=O)(=O)CCN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825659049 608008622 /nfs/dbraw/zinc/00/86/22/608008622.db2.gz NCQTWSMZIUZHLA-UHFFFAOYSA-N -1 1 396.473 0.410 20 0 GCADMM COc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccn1 ZINC000826218536 608030252 /nfs/dbraw/zinc/03/02/52/608030252.db2.gz FRQOFKVMBOXYSS-INIZCTEOSA-N -1 1 391.395 0.768 20 0 GCADMM O=S1(=O)CC[C@@H](N(Cc2ccnc(-c3nnn[n-]3)c2)C[C@@H]2CCCO2)C1 ZINC000826497098 608037773 /nfs/dbraw/zinc/03/77/73/608037773.db2.gz UNDPOMXMYYPVPH-KGLIPLIRSA-N -1 1 378.458 0.430 20 0 GCADMM O=S1(=O)CC[C@@H](N(Cc2ccnc(-c3nn[n-]n3)c2)C[C@@H]2CCCO2)C1 ZINC000826497098 608037774 /nfs/dbraw/zinc/03/77/74/608037774.db2.gz UNDPOMXMYYPVPH-KGLIPLIRSA-N -1 1 378.458 0.430 20 0 GCADMM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826104381 608057341 /nfs/dbraw/zinc/05/73/41/608057341.db2.gz VQEUJCRAJNYEIN-ZETCQYMHSA-N -1 1 379.320 0.481 20 0 GCADMM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826104381 608057342 /nfs/dbraw/zinc/05/73/42/608057342.db2.gz VQEUJCRAJNYEIN-ZETCQYMHSA-N -1 1 379.320 0.481 20 0 GCADMM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826104380 608057395 /nfs/dbraw/zinc/05/73/95/608057395.db2.gz VQEUJCRAJNYEIN-SSDOTTSWSA-N -1 1 379.320 0.481 20 0 GCADMM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826104380 608057396 /nfs/dbraw/zinc/05/73/96/608057396.db2.gz VQEUJCRAJNYEIN-SSDOTTSWSA-N -1 1 379.320 0.481 20 0 GCADMM COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826187709 608087788 /nfs/dbraw/zinc/08/77/88/608087788.db2.gz BZLJIUGWHDJCGR-KSSFIOAISA-N -1 1 398.427 0.366 20 0 GCADMM COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826187710 608087846 /nfs/dbraw/zinc/08/78/46/608087846.db2.gz BZLJIUGWHDJCGR-RDTXWAMCSA-N -1 1 398.427 0.366 20 0 GCADMM COc1cccc(-c2nc(Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)cs2)c1 ZINC000826213961 608095468 /nfs/dbraw/zinc/09/54/68/608095468.db2.gz UJBVJVMYEKDKRY-UHFFFAOYSA-N -1 1 397.420 0.908 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cn(-c3ccc(Cl)cc3)nn2)c1=O ZINC000826356773 608095960 /nfs/dbraw/zinc/09/59/60/608095960.db2.gz FHNZMUWWMNGZRU-UHFFFAOYSA-N -1 1 385.775 0.010 20 0 GCADMM CC1CCC(N(C(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)C2CC2)CC1 ZINC000824915716 608096185 /nfs/dbraw/zinc/09/61/85/608096185.db2.gz HPZSYKGLRPRWFY-UHFFFAOYSA-N -1 1 387.444 0.297 20 0 GCADMM CC(C)[C@@H](CNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)c1ccccc1 ZINC000824192929 608096215 /nfs/dbraw/zinc/09/62/15/608096215.db2.gz OYSXMCDVORXULL-CQSZACIVSA-N -1 1 397.439 0.283 20 0 GCADMM CCc1c(C(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)[nH]c(C)c1C(C)=O ZINC000825687256 608096233 /nfs/dbraw/zinc/09/62/33/608096233.db2.gz DNFXQSANZXDCSJ-UHFFFAOYSA-N -1 1 385.384 0.012 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@H](C2CC2)CC1=O ZINC000824999542 608096986 /nfs/dbraw/zinc/09/69/86/608096986.db2.gz HJYZOGIDGACNBG-TZMCWYRMSA-N -1 1 383.460 0.383 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@H](C2CC2)CC1=O ZINC000824999542 608096987 /nfs/dbraw/zinc/09/69/87/608096987.db2.gz HJYZOGIDGACNBG-TZMCWYRMSA-N -1 1 383.460 0.383 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC[C@H]3SCCS[C@H]23)n(C)c1=O ZINC000826355954 608098770 /nfs/dbraw/zinc/09/87/70/608098770.db2.gz UVASATSATXLZDX-NQMVMOMDSA-N -1 1 381.487 0.056 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)n(C)c1=O ZINC000826355955 608098824 /nfs/dbraw/zinc/09/88/24/608098824.db2.gz UVASATSATXLZDX-WEDXCCLWSA-N -1 1 381.487 0.056 20 0 GCADMM CCOC(=O)C(C)(C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825485298 608100572 /nfs/dbraw/zinc/10/05/72/608100572.db2.gz GCGSAOXJPGTHRB-LLVKDONJSA-N -1 1 388.432 0.283 20 0 GCADMM CCOC(=O)C(C)(C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825485298 608100573 /nfs/dbraw/zinc/10/05/73/608100573.db2.gz GCGSAOXJPGTHRB-LLVKDONJSA-N -1 1 388.432 0.283 20 0 GCADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-n2cnnn2)c1 ZINC000826280157 608101393 /nfs/dbraw/zinc/10/13/93/608101393.db2.gz PPRYTXYYKAUAFC-UHFFFAOYSA-N -1 1 383.397 0.952 20 0 GCADMM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CN1 ZINC000826479005 608112063 /nfs/dbraw/zinc/11/20/63/608112063.db2.gz NYDHKPCCZBXKHU-ZWNOBZJWSA-N -1 1 394.432 0.685 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CN1Cc1ccccc1 ZINC000826481049 608112090 /nfs/dbraw/zinc/11/20/90/608112090.db2.gz DKYVUERGISKZPZ-UHFFFAOYSA-N -1 1 385.409 0.252 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CN1Cc1ccccc1 ZINC000826481049 608112091 /nfs/dbraw/zinc/11/20/91/608112091.db2.gz DKYVUERGISKZPZ-UHFFFAOYSA-N -1 1 385.409 0.252 20 0 GCADMM C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825020479 608114627 /nfs/dbraw/zinc/11/46/27/608114627.db2.gz KDRWROQAUXISOO-JQWIXIFHSA-N -1 1 388.432 0.741 20 0 GCADMM C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824450737 608124976 /nfs/dbraw/zinc/12/49/76/608124976.db2.gz ZBAMMEFUJDEIKO-PIMCKEEVSA-N -1 1 397.404 0.931 20 0 GCADMM CC1([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)OCCO1 ZINC000824816496 608127053 /nfs/dbraw/zinc/12/70/53/608127053.db2.gz FFGLDEQNNYRKMV-NSHDSACASA-N -1 1 380.430 0.425 20 0 GCADMM CC1([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)OCCO1 ZINC000824816496 608127054 /nfs/dbraw/zinc/12/70/54/608127054.db2.gz FFGLDEQNNYRKMV-NSHDSACASA-N -1 1 380.430 0.425 20 0 GCADMM Cc1oc(NC(=O)CN2CCN3C(=O)OCC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341307 608169472 /nfs/dbraw/zinc/16/94/72/608169472.db2.gz COTBJKSIHAZJCY-LLVKDONJSA-N -1 1 375.389 0.542 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)OCC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341523 608169722 /nfs/dbraw/zinc/16/97/22/608169722.db2.gz JPGBWVJXYKDWFK-CMPLNLGQSA-N -1 1 389.416 0.930 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)OCC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341526 608169870 /nfs/dbraw/zinc/16/98/70/608169870.db2.gz JPGBWVJXYKDWFK-ZYHUDNBSSA-N -1 1 389.416 0.930 20 0 GCADMM C[C@H]1OCC[C@@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825019970 608176824 /nfs/dbraw/zinc/17/68/24/608176824.db2.gz HQYAJTHEFODREP-YPMHNXCESA-N -1 1 397.395 0.959 20 0 GCADMM C[C@H]1OCC[C@@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825019970 608176826 /nfs/dbraw/zinc/17/68/26/608176826.db2.gz HQYAJTHEFODREP-YPMHNXCESA-N -1 1 397.395 0.959 20 0 GCADMM CCC1(CC)[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H](C)[C@@H]1OC ZINC000825171232 608197354 /nfs/dbraw/zinc/19/73/54/608197354.db2.gz NQRVGAIJYLWHBA-WCQGTBRESA-N -1 1 377.449 0.516 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H](O)c1ccccc1 ZINC000820774523 608202248 /nfs/dbraw/zinc/20/22/48/608202248.db2.gz FFEOTRVQUZLHJK-DOMZBBRYSA-N -1 1 380.412 0.427 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H](O)c1ccccc1 ZINC000820774523 608202250 /nfs/dbraw/zinc/20/22/50/608202250.db2.gz FFEOTRVQUZLHJK-DOMZBBRYSA-N -1 1 380.412 0.427 20 0 GCADMM C[C@H](OC[C@H]1CCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824731601 608211081 /nfs/dbraw/zinc/21/10/81/608211081.db2.gz XLCFFFYHZWNRPP-WDEREUQCSA-N -1 1 378.437 0.147 20 0 GCADMM C[C@H](OC[C@H]1CCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824731601 608211082 /nfs/dbraw/zinc/21/10/82/608211082.db2.gz XLCFFFYHZWNRPP-WDEREUQCSA-N -1 1 378.437 0.147 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2c(c1)nnn2C ZINC000825935201 608211601 /nfs/dbraw/zinc/21/16/01/608211601.db2.gz WRMARHXLGBTWJY-UHFFFAOYSA-N -1 1 381.404 0.159 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2c(c1)nnn2C ZINC000825935201 608211604 /nfs/dbraw/zinc/21/16/04/608211604.db2.gz WRMARHXLGBTWJY-UHFFFAOYSA-N -1 1 381.404 0.159 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCOC[C@@H]1CCCO1 ZINC000825923614 608211648 /nfs/dbraw/zinc/21/16/48/608211648.db2.gz OSZHOABHERKUKU-NSHDSACASA-N -1 1 378.437 0.149 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCOC[C@@H]1CCCO1 ZINC000825923614 608211650 /nfs/dbraw/zinc/21/16/50/608211650.db2.gz OSZHOABHERKUKU-NSHDSACASA-N -1 1 378.437 0.149 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(N2CCCC2)nc1 ZINC000825934180 608212839 /nfs/dbraw/zinc/21/28/39/608212839.db2.gz KOEHWHVLKWBRFS-UHFFFAOYSA-N -1 1 396.459 0.872 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(N2CCCC2)nc1 ZINC000825934180 608212841 /nfs/dbraw/zinc/21/28/41/608212841.db2.gz KOEHWHVLKWBRFS-UHFFFAOYSA-N -1 1 396.459 0.872 20 0 GCADMM Cc1nn(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1Cl ZINC000826334153 608213342 /nfs/dbraw/zinc/21/33/42/608213342.db2.gz JYLIBRAZVLZGPQ-UHFFFAOYSA-N -1 1 392.855 0.730 20 0 GCADMM Cc1nn(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1Cl ZINC000826334153 608213343 /nfs/dbraw/zinc/21/33/43/608213343.db2.gz JYLIBRAZVLZGPQ-UHFFFAOYSA-N -1 1 392.855 0.730 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2c(F)cccc2Br)c1=O ZINC000826357268 608218761 /nfs/dbraw/zinc/21/87/61/608218761.db2.gz YAUYCJYZPOFWDQ-UHFFFAOYSA-N -1 1 381.165 0.677 20 0 GCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N1CCOC[C@H]1C1CC1 ZINC000826295266 608230671 /nfs/dbraw/zinc/23/06/71/608230671.db2.gz ZNZZUGUEZUUJCU-HNNXBMFYSA-N -1 1 395.423 0.522 20 0 GCADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825148822 608238206 /nfs/dbraw/zinc/23/82/06/608238206.db2.gz UNORURJKBRFRND-XCBNKYQSSA-N -1 1 383.327 0.986 20 0 GCADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825148822 608238207 /nfs/dbraw/zinc/23/82/07/608238207.db2.gz UNORURJKBRFRND-XCBNKYQSSA-N -1 1 383.327 0.986 20 0 GCADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825148818 608238441 /nfs/dbraw/zinc/23/84/41/608238441.db2.gz UNORURJKBRFRND-GMSGAONNSA-N -1 1 383.327 0.986 20 0 GCADMM CC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825148818 608238443 /nfs/dbraw/zinc/23/84/43/608238443.db2.gz UNORURJKBRFRND-GMSGAONNSA-N -1 1 383.327 0.986 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)[C@@H]2CCOC2)n(C)c1=O ZINC000826355609 608238472 /nfs/dbraw/zinc/23/84/72/608238472.db2.gz HHGLQYBRBKLRQJ-OCCSQVGLSA-N -1 1 383.412 0.454 20 0 GCADMM COC[C@H](O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826151564 608238792 /nfs/dbraw/zinc/23/87/92/608238792.db2.gz DPDHMDFREXMMTH-SECBINFHSA-N -1 1 395.363 0.561 20 0 GCADMM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825247439 608239482 /nfs/dbraw/zinc/23/94/82/608239482.db2.gz DNOWZQSSZXJGDO-JTQLQIEISA-N -1 1 384.849 0.809 20 0 GCADMM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825247439 608239483 /nfs/dbraw/zinc/23/94/83/608239483.db2.gz DNOWZQSSZXJGDO-JTQLQIEISA-N -1 1 384.849 0.809 20 0 GCADMM O=C1CC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)CCN12 ZINC000826480152 608242086 /nfs/dbraw/zinc/24/20/86/608242086.db2.gz SBFHOCSBHVRPKN-JTQLQIEISA-N -1 1 382.833 0.515 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1CNC(=O)C1 ZINC000826328201 608248922 /nfs/dbraw/zinc/24/89/22/608248922.db2.gz IRHRHJGSUAHWAX-NSHDSACASA-N -1 1 384.400 0.138 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1CNC(=O)C1 ZINC000826328201 608248923 /nfs/dbraw/zinc/24/89/23/608248923.db2.gz IRHRHJGSUAHWAX-NSHDSACASA-N -1 1 384.400 0.138 20 0 GCADMM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826060278 608253696 /nfs/dbraw/zinc/25/36/96/608253696.db2.gz JRXQSCNAHNCMAZ-OIBJUYFYSA-N -1 1 377.430 0.334 20 0 GCADMM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826392929 608277315 /nfs/dbraw/zinc/27/73/15/608277315.db2.gz UFISMHNGPSPGBM-UHFFFAOYSA-N -1 1 394.395 0.450 20 0 GCADMM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826392929 608277316 /nfs/dbraw/zinc/27/73/16/608277316.db2.gz UFISMHNGPSPGBM-UHFFFAOYSA-N -1 1 394.395 0.450 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCCC(=O)OC(C)(C)C)n(C)c1=O ZINC000826356034 608296140 /nfs/dbraw/zinc/29/61/40/608296140.db2.gz XXGGGLAUEMDGIS-UHFFFAOYSA-N -1 1 379.421 0.188 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cc(NCc3ccc(-c4nnn[n-]4)o3)cn2)C[C@H](C)O1 ZINC000824967476 608308003 /nfs/dbraw/zinc/30/80/03/608308003.db2.gz KNEMUQAWZKGLSV-RYUDHWBXSA-N -1 1 386.416 0.904 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cc(NCc3ccc(-c4nn[n-]n4)o3)cn2)C[C@H](C)O1 ZINC000824967476 608308005 /nfs/dbraw/zinc/30/80/05/608308005.db2.gz KNEMUQAWZKGLSV-RYUDHWBXSA-N -1 1 386.416 0.904 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC[C@H]2CCCO2)n1 ZINC000824147404 608339510 /nfs/dbraw/zinc/33/95/10/608339510.db2.gz BQYBWNUKKRJQPE-SNVBAGLBSA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC[C@H]2CCCO2)n1 ZINC000824147404 608339512 /nfs/dbraw/zinc/33/95/12/608339512.db2.gz BQYBWNUKKRJQPE-SNVBAGLBSA-N -1 1 376.421 0.442 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000824469944 608339953 /nfs/dbraw/zinc/33/99/53/608339953.db2.gz DMKPZWAISBZHTF-ONGXEEELSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000824469944 608339954 /nfs/dbraw/zinc/33/99/54/608339954.db2.gz DMKPZWAISBZHTF-ONGXEEELSA-N -1 1 376.421 0.440 20 0 GCADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825204817 608341721 /nfs/dbraw/zinc/34/17/21/608341721.db2.gz SPWINPYJTRNDJP-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825204817 608341723 /nfs/dbraw/zinc/34/17/23/608341723.db2.gz SPWINPYJTRNDJP-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM CN(Cc1ccncc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825985873 608342531 /nfs/dbraw/zinc/34/25/31/608342531.db2.gz DLLGSCMZARKINF-UHFFFAOYSA-N -1 1 383.416 0.810 20 0 GCADMM CN(Cc1ccncc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825985873 608342533 /nfs/dbraw/zinc/34/25/33/608342533.db2.gz DLLGSCMZARKINF-UHFFFAOYSA-N -1 1 383.416 0.810 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCOC2CCCC2)n1 ZINC000824147406 608344463 /nfs/dbraw/zinc/34/44/63/608344463.db2.gz BSNAANSTWLFJEW-UHFFFAOYSA-N -1 1 390.448 0.832 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCOC2CCCC2)n1 ZINC000824147406 608344466 /nfs/dbraw/zinc/34/44/66/608344466.db2.gz BSNAANSTWLFJEW-UHFFFAOYSA-N -1 1 390.448 0.832 20 0 GCADMM Cn1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826358855 608347673 /nfs/dbraw/zinc/34/76/73/608347673.db2.gz LRGLMUQNPRWTRE-UHFFFAOYSA-N -1 1 389.441 0.875 20 0 GCADMM CO[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826145218 608351777 /nfs/dbraw/zinc/35/17/77/608351777.db2.gz BNDDMTZNQWBQFZ-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM CO[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826145218 608351779 /nfs/dbraw/zinc/35/17/79/608351779.db2.gz BNDDMTZNQWBQFZ-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM COCCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826155795 608352099 /nfs/dbraw/zinc/35/20/99/608352099.db2.gz CGTICEOIADWPMZ-UHFFFAOYSA-N -1 1 378.437 0.690 20 0 GCADMM COCCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826155795 608352101 /nfs/dbraw/zinc/35/21/01/608352101.db2.gz CGTICEOIADWPMZ-UHFFFAOYSA-N -1 1 378.437 0.690 20 0 GCADMM COc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)n1 ZINC000826216283 608352106 /nfs/dbraw/zinc/35/21/06/608352106.db2.gz RLTKWNHLKCOISJ-UHFFFAOYSA-N -1 1 399.415 0.477 20 0 GCADMM COc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)n1 ZINC000826216283 608352108 /nfs/dbraw/zinc/35/21/08/608352108.db2.gz RLTKWNHLKCOISJ-UHFFFAOYSA-N -1 1 399.415 0.477 20 0 GCADMM CCOCCN(CC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825593746 608353204 /nfs/dbraw/zinc/35/32/04/608353204.db2.gz CEKPMHLQNVGTOG-UHFFFAOYSA-N -1 1 378.437 0.642 20 0 GCADMM CCOCCN(CC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825593746 608353205 /nfs/dbraw/zinc/35/32/05/608353205.db2.gz CEKPMHLQNVGTOG-UHFFFAOYSA-N -1 1 378.437 0.642 20 0 GCADMM C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824690258 608353868 /nfs/dbraw/zinc/35/38/68/608353868.db2.gz RNEYBYFDVJAIBV-NXEZZACHSA-N -1 1 378.437 0.280 20 0 GCADMM C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824690258 608353869 /nfs/dbraw/zinc/35/38/69/608353869.db2.gz RNEYBYFDVJAIBV-NXEZZACHSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)n1 ZINC000824141630 608355535 /nfs/dbraw/zinc/35/55/35/608355535.db2.gz LHZAAFAKWMLHCB-KRWDZBQOSA-N -1 1 388.432 0.396 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[C@]3(CCOC3)C2)n1 ZINC000824141630 608355537 /nfs/dbraw/zinc/35/55/37/608355537.db2.gz LHZAAFAKWMLHCB-KRWDZBQOSA-N -1 1 388.432 0.396 20 0 GCADMM CC[C@@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825081990 608356410 /nfs/dbraw/zinc/35/64/10/608356410.db2.gz OUSZOUDXBOSOSP-MNOVXSKESA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825081990 608356412 /nfs/dbraw/zinc/35/64/12/608356412.db2.gz OUSZOUDXBOSOSP-MNOVXSKESA-N -1 1 392.464 0.670 20 0 GCADMM CO[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1(C)C ZINC000826144284 608356683 /nfs/dbraw/zinc/35/66/83/608356683.db2.gz GGHABQYQOYNFPF-MNOVXSKESA-N -1 1 390.448 0.686 20 0 GCADMM CO[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1(C)C ZINC000826144284 608356685 /nfs/dbraw/zinc/35/66/85/608356685.db2.gz GGHABQYQOYNFPF-MNOVXSKESA-N -1 1 390.448 0.686 20 0 GCADMM CC[C@H](CCO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825115157 608356752 /nfs/dbraw/zinc/35/67/52/608356752.db2.gz UVTVFNSTZSEFKM-SNVBAGLBSA-N -1 1 378.437 0.282 20 0 GCADMM CC[C@H](CCO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825115157 608356754 /nfs/dbraw/zinc/35/67/54/608356754.db2.gz UVTVFNSTZSEFKM-SNVBAGLBSA-N -1 1 378.437 0.282 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCc3c[nH]nc3C2)n1 ZINC000824141900 608357337 /nfs/dbraw/zinc/35/73/37/608357337.db2.gz NTKPVGRBTKZYJV-UHFFFAOYSA-N -1 1 384.404 0.065 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCc3c[nH]nc3C2)n1 ZINC000824141900 608357338 /nfs/dbraw/zinc/35/73/38/608357338.db2.gz NTKPVGRBTKZYJV-UHFFFAOYSA-N -1 1 384.404 0.065 20 0 GCADMM C[C@H]1C[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824882845 608358008 /nfs/dbraw/zinc/35/80/08/608358008.db2.gz CVLQYMFWSRAYKY-QWRGUYRKSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H]1C[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824882845 608358009 /nfs/dbraw/zinc/35/80/09/608358009.db2.gz CVLQYMFWSRAYKY-QWRGUYRKSA-N -1 1 390.448 0.688 20 0 GCADMM CNC(=O)c1cccnc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826073162 608365401 /nfs/dbraw/zinc/36/54/01/608365401.db2.gz HEDCFMVZWNQZER-UHFFFAOYSA-N -1 1 395.427 0.813 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000826424905 608386033 /nfs/dbraw/zinc/38/60/33/608386033.db2.gz HXRYHUDWZGEBQN-INIZCTEOSA-N -1 1 388.819 0.318 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c(OC)c1 ZINC000826187321 608403434 /nfs/dbraw/zinc/40/34/34/608403434.db2.gz KZGUTOMYDSRZGO-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c(OC)c1 ZINC000826187321 608403435 /nfs/dbraw/zinc/40/34/35/608403435.db2.gz KZGUTOMYDSRZGO-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC000824925692 608416936 /nfs/dbraw/zinc/41/69/36/608416936.db2.gz GBXQYRGSZKNOGM-KGLIPLIRSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC000824925692 608416937 /nfs/dbraw/zinc/41/69/37/608416937.db2.gz GBXQYRGSZKNOGM-KGLIPLIRSA-N -1 1 385.476 0.474 20 0 GCADMM O=C(C1CCCCC1)N1CCN(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826398788 608418755 /nfs/dbraw/zinc/41/87/55/608418755.db2.gz FYHCSTHQTLJYKG-UHFFFAOYSA-N -1 1 385.476 0.793 20 0 GCADMM O=C(C1CCCCC1)N1CCN(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826398788 608418756 /nfs/dbraw/zinc/41/87/56/608418756.db2.gz FYHCSTHQTLJYKG-UHFFFAOYSA-N -1 1 385.476 0.793 20 0 GCADMM CCOC(=O)c1cnc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)s1 ZINC000825565645 608426592 /nfs/dbraw/zinc/42/65/92/608426592.db2.gz XBNZDTAGNIWDQM-UHFFFAOYSA-N -1 1 387.429 0.617 20 0 GCADMM CCOC(=O)c1cnc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)s1 ZINC000825565645 608426594 /nfs/dbraw/zinc/42/65/94/608426594.db2.gz XBNZDTAGNIWDQM-UHFFFAOYSA-N -1 1 387.429 0.617 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824505447 608432555 /nfs/dbraw/zinc/43/25/55/608432555.db2.gz DADNDFLDUUDDAZ-PWSUYJOCSA-N -1 1 376.421 0.775 20 0 GCADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824505447 608432556 /nfs/dbraw/zinc/43/25/56/608432556.db2.gz DADNDFLDUUDDAZ-PWSUYJOCSA-N -1 1 376.421 0.775 20 0 GCADMM CC(C)C(=O)NCCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824185171 608445790 /nfs/dbraw/zinc/44/57/90/608445790.db2.gz SEOPUSMZTNHFFA-UHFFFAOYSA-N -1 1 386.865 0.913 20 0 GCADMM CC(C)C(=O)NCCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824185171 608445792 /nfs/dbraw/zinc/44/57/92/608445792.db2.gz SEOPUSMZTNHFFA-UHFFFAOYSA-N -1 1 386.865 0.913 20 0 GCADMM NS(=O)(=O)c1ccc(CCOC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000826394536 608457207 /nfs/dbraw/zinc/45/72/07/608457207.db2.gz NUMPITSZFBAPLB-UHFFFAOYSA-N -1 1 379.423 0.975 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000826425292 608469805 /nfs/dbraw/zinc/46/98/05/608469805.db2.gz XERYIYMTJNTFEN-UHFFFAOYSA-N -1 1 380.368 0.986 20 0 GCADMM CCN(CC)S(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825418221 608506349 /nfs/dbraw/zinc/50/63/49/608506349.db2.gz YWOUGFJWRSXYSB-UHFFFAOYSA-N -1 1 385.519 0.632 20 0 GCADMM O=C(CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1)NCc1ccccc1 ZINC000826411209 608511873 /nfs/dbraw/zinc/51/18/73/608511873.db2.gz OUZARMXNFJEYIC-UHFFFAOYSA-N -1 1 381.440 0.894 20 0 GCADMM O=C(CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1)NCc1ccccc1 ZINC000826411209 608511875 /nfs/dbraw/zinc/51/18/75/608511875.db2.gz OUZARMXNFJEYIC-UHFFFAOYSA-N -1 1 381.440 0.894 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@](C)(O)Cc1ccccc1 ZINC000825923508 608555150 /nfs/dbraw/zinc/55/51/50/608555150.db2.gz KTIVNOQEXBWVMV-SFHVURJKSA-N -1 1 384.444 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@](C)(O)Cc1ccccc1 ZINC000825923508 608555151 /nfs/dbraw/zinc/55/51/51/608555151.db2.gz KTIVNOQEXBWVMV-SFHVURJKSA-N -1 1 384.444 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1[nH]nc2ccccc21 ZINC000825930365 608556568 /nfs/dbraw/zinc/55/65/68/608556568.db2.gz USVVCDQFOWTUFJ-UHFFFAOYSA-N -1 1 380.416 0.682 20 0 GCADMM CNc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc(Cl)n1 ZINC000826090440 608556725 /nfs/dbraw/zinc/55/67/25/608556725.db2.gz HUUINQGYOOOXJI-UHFFFAOYSA-N -1 1 390.839 0.967 20 0 GCADMM CNc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc(Cl)n1 ZINC000826090440 608556727 /nfs/dbraw/zinc/55/67/27/608556727.db2.gz HUUINQGYOOOXJI-UHFFFAOYSA-N -1 1 390.839 0.967 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H]1CSCCS1 ZINC000825923615 608556820 /nfs/dbraw/zinc/55/68/20/608556820.db2.gz OUVKSEZUODJIFC-SECBINFHSA-N -1 1 382.519 0.802 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H]1CSCCS1 ZINC000825923615 608556822 /nfs/dbraw/zinc/55/68/22/608556822.db2.gz OUVKSEZUODJIFC-SECBINFHSA-N -1 1 382.519 0.802 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000825923259 608556970 /nfs/dbraw/zinc/55/69/70/608556970.db2.gz DPNLVHKALSAMCF-UHFFFAOYSA-N -1 1 394.439 0.935 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000825923259 608556971 /nfs/dbraw/zinc/55/69/71/608556971.db2.gz DPNLVHKALSAMCF-UHFFFAOYSA-N -1 1 394.439 0.935 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCCCC1 ZINC000823989457 608557345 /nfs/dbraw/zinc/55/73/45/608557345.db2.gz YLCIIMZDQJEVEO-UHFFFAOYSA-N -1 1 389.464 0.402 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCCCC1 ZINC000823989457 608557346 /nfs/dbraw/zinc/55/73/46/608557346.db2.gz YLCIIMZDQJEVEO-UHFFFAOYSA-N -1 1 389.464 0.402 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSCC(F)(F)F ZINC000825930777 608557795 /nfs/dbraw/zinc/55/77/95/608557795.db2.gz YVZUGEDDOQFULH-UHFFFAOYSA-N -1 1 378.384 0.859 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSCC(F)(F)F ZINC000825930777 608557797 /nfs/dbraw/zinc/55/77/97/608557797.db2.gz YVZUGEDDOQFULH-UHFFFAOYSA-N -1 1 378.384 0.859 20 0 GCADMM Cc1nc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000826324758 608558368 /nfs/dbraw/zinc/55/83/68/608558368.db2.gz DFMDNJJWEHVUCE-UHFFFAOYSA-N -1 1 375.462 0.961 20 0 GCADMM Cc1nc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000826324758 608558369 /nfs/dbraw/zinc/55/83/69/608558369.db2.gz DFMDNJJWEHVUCE-UHFFFAOYSA-N -1 1 375.462 0.961 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000825934739 608558446 /nfs/dbraw/zinc/55/84/46/608558446.db2.gz RFNMRJGHSPXASJ-UHFFFAOYSA-N -1 1 382.388 0.860 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc([S@](C)=O)cc1 ZINC000825935092 608558452 /nfs/dbraw/zinc/55/84/52/608558452.db2.gz UMXUSUALCMNECV-MHZLTWQESA-N -1 1 388.457 0.614 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc([S@](C)=O)cc1 ZINC000825935092 608558454 /nfs/dbraw/zinc/55/84/54/608558454.db2.gz UMXUSUALCMNECV-MHZLTWQESA-N -1 1 388.457 0.614 20 0 GCADMM CC(C)CCn1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nn1 ZINC000824249010 608559697 /nfs/dbraw/zinc/55/96/97/608559697.db2.gz GRVKKJSTHYNBNQ-UHFFFAOYSA-N -1 1 387.452 0.514 20 0 GCADMM CC(C)CCn1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nn1 ZINC000824249010 608559698 /nfs/dbraw/zinc/55/96/98/608559698.db2.gz GRVKKJSTHYNBNQ-UHFFFAOYSA-N -1 1 387.452 0.514 20 0 GCADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826332946 608559703 /nfs/dbraw/zinc/55/97/03/608559703.db2.gz NYNFQEBUTMKRDN-VIFPVBQESA-N -1 1 386.464 0.717 20 0 GCADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826332946 608559704 /nfs/dbraw/zinc/55/97/04/608559704.db2.gz NYNFQEBUTMKRDN-VIFPVBQESA-N -1 1 386.464 0.717 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000825923553 608560244 /nfs/dbraw/zinc/56/02/44/608560244.db2.gz MAFZHUMPGRIKDT-AWEZNQCLSA-N -1 1 395.427 0.756 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000825923553 608560246 /nfs/dbraw/zinc/56/02/46/608560246.db2.gz MAFZHUMPGRIKDT-AWEZNQCLSA-N -1 1 395.427 0.756 20 0 GCADMM CCOC(=O)C1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000825492905 608566105 /nfs/dbraw/zinc/56/61/05/608566105.db2.gz IEEUWARLLAOBAV-UHFFFAOYSA-N -1 1 377.357 0.902 20 0 GCADMM CCOc1cccc([C@@H]2C[C@@H]2Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000825649649 608589164 /nfs/dbraw/zinc/58/91/64/608589164.db2.gz UEZBKFPQTBCPON-STQMWFEESA-N -1 1 383.412 0.631 20 0 GCADMM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826487631 608733374 /nfs/dbraw/zinc/73/33/74/608733374.db2.gz UYXRZEGNSIMNPN-UHFFFAOYSA-N -1 1 395.470 0.564 20 0 GCADMM CCOC(=O)c1cnn2c1nccc2C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825569839 608773981 /nfs/dbraw/zinc/77/39/81/608773981.db2.gz AYCSJTSNGRVXCB-UHFFFAOYSA-N -1 1 394.351 0.838 20 0 GCADMM CCOC(=O)c1cnn2c1nccc2C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825569839 608773982 /nfs/dbraw/zinc/77/39/82/608773982.db2.gz AYCSJTSNGRVXCB-UHFFFAOYSA-N -1 1 394.351 0.838 20 0 GCADMM Cc1cc(=O)n(C)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826256343 609158593 /nfs/dbraw/zinc/15/85/93/609158593.db2.gz DRUKLAMXZVYIRL-UHFFFAOYSA-N -1 1 386.420 0.276 20 0 GCADMM Cc1cc(=O)n(C)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826256343 609158595 /nfs/dbraw/zinc/15/85/95/609158595.db2.gz DRUKLAMXZVYIRL-UHFFFAOYSA-N -1 1 386.420 0.276 20 0 GCADMM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490973 609183101 /nfs/dbraw/zinc/18/31/01/609183101.db2.gz OTYKOOQXMLOLCC-SNVBAGLBSA-N -1 1 399.404 0.206 20 0 GCADMM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490973 609183103 /nfs/dbraw/zinc/18/31/03/609183103.db2.gz OTYKOOQXMLOLCC-SNVBAGLBSA-N -1 1 399.404 0.206 20 0 GCADMM CC[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)N1CCCC1=O ZINC000825040054 609235777 /nfs/dbraw/zinc/23/57/77/609235777.db2.gz YKHFGYCWXMITHJ-STQMWFEESA-N -1 1 399.459 0.095 20 0 GCADMM CC[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)N1CCCC1=O ZINC000825040054 609235778 /nfs/dbraw/zinc/23/57/78/609235778.db2.gz YKHFGYCWXMITHJ-STQMWFEESA-N -1 1 399.459 0.095 20 0 GCADMM COc1ccc([C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C(F)(F)F)cc1 ZINC000826188832 609266804 /nfs/dbraw/zinc/26/68/04/609266804.db2.gz IDHBLUUCPWZYBF-NSHDSACASA-N -1 1 382.306 0.887 20 0 GCADMM CC(C)S(=O)(=O)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824337590 609287089 /nfs/dbraw/zinc/28/70/89/609287089.db2.gz BRMMDECVEVZVDC-UHFFFAOYSA-N -1 1 393.404 0.953 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCOCC1CC1 ZINC000825929827 609298910 /nfs/dbraw/zinc/29/89/10/609298910.db2.gz KWVZPHPLJZTGNV-UHFFFAOYSA-N -1 1 377.453 0.563 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCOCC1CC1 ZINC000825929827 609298912 /nfs/dbraw/zinc/29/89/12/609298912.db2.gz KWVZPHPLJZTGNV-UHFFFAOYSA-N -1 1 377.453 0.563 20 0 GCADMM CC(C)CCOCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824249055 609299988 /nfs/dbraw/zinc/29/99/88/609299988.db2.gz HJVAJOCZOOPLOM-UHFFFAOYSA-N -1 1 379.469 0.809 20 0 GCADMM CC(C)CCOCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824249055 609299989 /nfs/dbraw/zinc/29/99/89/609299989.db2.gz HJVAJOCZOOPLOM-UHFFFAOYSA-N -1 1 379.469 0.809 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1COc2ccccc2C1 ZINC000825930684 609300680 /nfs/dbraw/zinc/30/06/80/609300680.db2.gz WMDIBTIBFARZRA-GFCCVEGCSA-N -1 1 397.443 0.750 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1COc2ccccc2C1 ZINC000825930684 609300682 /nfs/dbraw/zinc/30/06/82/609300682.db2.gz WMDIBTIBFARZRA-GFCCVEGCSA-N -1 1 397.443 0.750 20 0 GCADMM CC(C)n1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000824371515 609301773 /nfs/dbraw/zinc/30/17/73/609301773.db2.gz IOQMNMXYXNPLMD-UHFFFAOYSA-N -1 1 387.452 0.724 20 0 GCADMM CC(C)n1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000824371515 609301774 /nfs/dbraw/zinc/30/17/74/609301774.db2.gz IOQMNMXYXNPLMD-UHFFFAOYSA-N -1 1 387.452 0.724 20 0 GCADMM CCCC[C@H](COC)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825260160 609301861 /nfs/dbraw/zinc/30/18/61/609301861.db2.gz NLGRAVQHTOLXPQ-LLVKDONJSA-N -1 1 379.469 0.951 20 0 GCADMM CCCC[C@H](COC)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825260160 609301863 /nfs/dbraw/zinc/30/18/63/609301863.db2.gz NLGRAVQHTOLXPQ-LLVKDONJSA-N -1 1 379.469 0.951 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCOc1cccnc1 ZINC000825930266 609302514 /nfs/dbraw/zinc/30/25/14/609302514.db2.gz RNMQVIQLSZFYOQ-UHFFFAOYSA-N -1 1 386.420 0.220 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCOc1cccnc1 ZINC000825930266 609302516 /nfs/dbraw/zinc/30/25/16/609302516.db2.gz RNMQVIQLSZFYOQ-UHFFFAOYSA-N -1 1 386.420 0.220 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000825929183 609304284 /nfs/dbraw/zinc/30/42/84/609304284.db2.gz CDXKQOXNPSKZET-WQAKAFBOSA-N -1 1 389.464 0.560 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000825929183 609304287 /nfs/dbraw/zinc/30/42/87/609304287.db2.gz CDXKQOXNPSKZET-WQAKAFBOSA-N -1 1 389.464 0.560 20 0 GCADMM C[C@H]1C[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824884333 609309087 /nfs/dbraw/zinc/30/90/87/609309087.db2.gz NKPQGYOABFBATL-WDEREUQCSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@H]1C[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824884333 609309089 /nfs/dbraw/zinc/30/90/89/609309089.db2.gz NKPQGYOABFBATL-WDEREUQCSA-N -1 1 377.453 0.561 20 0 GCADMM CCOC(=O)C[C@H](C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825499390 609309266 /nfs/dbraw/zinc/30/92/66/609309266.db2.gz MEENPRMIFOHJHL-JTQLQIEISA-N -1 1 393.452 0.335 20 0 GCADMM CCOC(=O)C[C@H](C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825499390 609309268 /nfs/dbraw/zinc/30/92/68/609309268.db2.gz MEENPRMIFOHJHL-JTQLQIEISA-N -1 1 393.452 0.335 20 0 GCADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000824492466 609309543 /nfs/dbraw/zinc/30/95/43/609309543.db2.gz ZGTUDRLNOGYVBQ-WDEREUQCSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824492466 609309545 /nfs/dbraw/zinc/30/95/45/609309545.db2.gz ZGTUDRLNOGYVBQ-WDEREUQCSA-N -1 1 377.453 0.561 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000825930386 609309967 /nfs/dbraw/zinc/30/99/67/609309967.db2.gz VKCBLYKJXFWRQR-NQBHXWOUSA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000825930386 609309968 /nfs/dbraw/zinc/30/99/68/609309968.db2.gz VKCBLYKJXFWRQR-NQBHXWOUSA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000825930671 609310142 /nfs/dbraw/zinc/31/01/42/609310142.db2.gz WEYNFNAHXMKULD-JTQLQIEISA-N -1 1 385.436 0.027 20 0 GCADMM CN(CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)C1CC1 ZINC000825892523 609312919 /nfs/dbraw/zinc/31/29/19/609312919.db2.gz NXWKMYHAXGPGQO-UHFFFAOYSA-N -1 1 384.375 0.998 20 0 GCADMM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826128317 609328690 /nfs/dbraw/zinc/32/86/90/609328690.db2.gz CGKHGFIJFZLHJU-RNCFNFMXSA-N -1 1 399.404 0.347 20 0 GCADMM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826128480 609329153 /nfs/dbraw/zinc/32/91/53/609329153.db2.gz DOMUESPLSYQBPO-JQWIXIFHSA-N -1 1 399.404 0.347 20 0 GCADMM C[C@@H]1CC(=O)NCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824864402 609358047 /nfs/dbraw/zinc/35/80/47/609358047.db2.gz BDALGGGIKYZHDS-SNVBAGLBSA-N -1 1 399.390 0.934 20 0 GCADMM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCNC1=O ZINC000825820577 609358597 /nfs/dbraw/zinc/35/85/97/609358597.db2.gz LJBRNOGWVWXLCB-NSHDSACASA-N -1 1 385.363 0.544 20 0 GCADMM CN1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1=O ZINC000826016892 609358723 /nfs/dbraw/zinc/35/87/23/609358723.db2.gz HPGFECPHWWDPAE-JTQLQIEISA-N -1 1 399.390 0.934 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCn2cnnc2C1 ZINC000826458363 609360211 /nfs/dbraw/zinc/36/02/11/609360211.db2.gz MXZRTULOGHHDMJ-UHFFFAOYSA-N -1 1 395.362 0.831 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CCCNC1=O ZINC000826458598 609360227 /nfs/dbraw/zinc/36/02/27/609360227.db2.gz XHNPZLMUSDRKHZ-JTQLQIEISA-N -1 1 385.363 0.592 20 0 GCADMM COC[C@@H](O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826152188 609361356 /nfs/dbraw/zinc/36/13/56/609361356.db2.gz SPBFSRFFFNGELR-JTQLQIEISA-N -1 1 390.379 0.710 20 0 GCADMM COC[C@@H](CCO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826149726 609364303 /nfs/dbraw/zinc/36/43/03/609364303.db2.gz NNGUCWYWPWBAQX-SNVBAGLBSA-N -1 1 390.379 0.710 20 0 GCADMM O=C(NCCCF)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826437026 609369372 /nfs/dbraw/zinc/36/93/72/609369372.db2.gz SVOPJJBCBWOQOL-UHFFFAOYSA-N -1 1 376.327 0.606 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N[C@H]1CCOC1 ZINC000826458199 609369900 /nfs/dbraw/zinc/36/99/00/609369900.db2.gz HPTCLYZCIUVDSN-VIFPVBQESA-N -1 1 386.347 0.035 20 0 GCADMM CC(C)Cn1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000824280804 609394548 /nfs/dbraw/zinc/39/45/48/609394548.db2.gz UTPCAJBDUYIFOH-ZDUSSCGKSA-N -1 1 396.459 0.860 20 0 GCADMM CC(C)Cn1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000824280804 609394550 /nfs/dbraw/zinc/39/45/50/609394550.db2.gz UTPCAJBDUYIFOH-ZDUSSCGKSA-N -1 1 396.459 0.860 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CO)CC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826229608 609406664 /nfs/dbraw/zinc/40/66/64/609406664.db2.gz KRIWEXFPLUTYLT-YFKPBYRVSA-N -1 1 378.336 0.732 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)S(N)(=O)=O)c1-c1nn[n-]n1 ZINC000826231751 609418238 /nfs/dbraw/zinc/41/82/38/609418238.db2.gz YGQQRQDJOBACOF-SSDOTTSWSA-N -1 1 397.486 0.268 20 0 GCADMM CNC(=O)[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCO1 ZINC000826060655 609418398 /nfs/dbraw/zinc/41/83/98/609418398.db2.gz QHBCUKLFEBJTAO-LLVKDONJSA-N -1 1 385.384 0.146 20 0 GCADMM CNC(=O)[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCO1 ZINC000826060655 609418399 /nfs/dbraw/zinc/41/83/99/609418399.db2.gz QHBCUKLFEBJTAO-LLVKDONJSA-N -1 1 385.384 0.146 20 0 GCADMM CNC(=O)[C@@H]1CN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CCO1 ZINC000826060667 609431351 /nfs/dbraw/zinc/43/13/51/609431351.db2.gz QLDRQPRLZWSTII-HNNXBMFYSA-N -1 1 382.428 0.308 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347231 609467635 /nfs/dbraw/zinc/46/76/35/609467635.db2.gz JOXNIWWUSYDSRX-AWEZNQCLSA-N -1 1 395.423 0.871 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347231 609467638 /nfs/dbraw/zinc/46/76/38/609467638.db2.gz JOXNIWWUSYDSRX-AWEZNQCLSA-N -1 1 395.423 0.871 20 0 GCADMM Cc1onc(CC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826347207 609469627 /nfs/dbraw/zinc/46/96/27/609469627.db2.gz IQKUZHDSOREGEJ-UHFFFAOYSA-N -1 1 377.405 0.689 20 0 GCADMM Cc1onc(CC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826347207 609469630 /nfs/dbraw/zinc/46/96/30/609469630.db2.gz IQKUZHDSOREGEJ-UHFFFAOYSA-N -1 1 377.405 0.689 20 0 GCADMM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825494450 609470357 /nfs/dbraw/zinc/47/03/57/609470357.db2.gz WVVKJQFITIWFRP-NSHDSACASA-N -1 1 394.432 0.959 20 0 GCADMM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825494450 609470359 /nfs/dbraw/zinc/47/03/59/609470359.db2.gz WVVKJQFITIWFRP-NSHDSACASA-N -1 1 394.432 0.959 20 0 GCADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(=O)NCC(=O)OC(C)(C)C)n1 ZINC000826324433 609486939 /nfs/dbraw/zinc/48/69/39/609486939.db2.gz QHIOKFRDQKEPBT-UHFFFAOYSA-N -1 1 379.446 0.824 20 0 GCADMM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)no1 ZINC000826325051 609497524 /nfs/dbraw/zinc/49/75/24/609497524.db2.gz MJDAYOFKVOVKFL-GFCCVEGCSA-N -1 1 395.376 0.459 20 0 GCADMM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000826325238 609497905 /nfs/dbraw/zinc/49/79/05/609497905.db2.gz RRFVQNSRCAASIQ-NSHDSACASA-N -1 1 395.376 0.459 20 0 GCADMM COCc1nc([C@@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000826165463 609503197 /nfs/dbraw/zinc/50/31/97/609503197.db2.gz WBBWLZPOCAFHCT-QMMMGPOBSA-N -1 1 377.386 0.671 20 0 GCADMM COCc1nc([C@@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000826165463 609503198 /nfs/dbraw/zinc/50/31/98/609503198.db2.gz WBBWLZPOCAFHCT-QMMMGPOBSA-N -1 1 377.386 0.671 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@@H]3CCCOC3)CC2)o1 ZINC000826323130 609525647 /nfs/dbraw/zinc/52/56/47/609525647.db2.gz RFQBDKSOBJGTQC-GFCCVEGCSA-N -1 1 393.473 0.724 20 0 GCADMM CC(C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1=O ZINC000824300338 609584132 /nfs/dbraw/zinc/58/41/32/609584132.db2.gz FMNFNDDWERHWJT-UHFFFAOYSA-N -1 1 384.849 0.761 20 0 GCADMM COc1cccc([C@@H]2C[C@@H](C)CN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000826214916 609593159 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GCADMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@@H](O)c2cnn(C)c2)c(=O)[nH]c1=O ZINC000769659937 1202066660 /nfs/dbraw/zinc/06/66/60/1202066660.db2.gz KBYDLZQYOZPFBN-CYBMUJFWSA-N -1 1 399.473 0.275 20 0 GCADMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@H](O)c2cnn(C)c2)c(=O)[nH]c1=O ZINC000769659943 1202066776 /nfs/dbraw/zinc/06/67/76/1202066776.db2.gz KBYDLZQYOZPFBN-ZDUSSCGKSA-N -1 1 399.473 0.275 20 0 GCADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CC(=O)N(C3CC3)C2)c(=O)[nH]c1=O ZINC000769661563 1202067199 /nfs/dbraw/zinc/06/71/99/1202067199.db2.gz RGGVZXGBROJQES-LBPRGKRZSA-N -1 1 398.485 0.571 20 0 GCADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H](CO)c2cnn(C)c2)c(=O)[nH]c1=O ZINC000769666481 1202067888 /nfs/dbraw/zinc/06/78/88/1202067888.db2.gz JYVOPSMGJXFXSM-ZDUSSCGKSA-N -1 1 399.473 0.275 20 0 GCADMM NS(=O)(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c(F)c1 ZINC000769858625 1202073030 /nfs/dbraw/zinc/07/30/30/1202073030.db2.gz LHKLNJNQNQOGOW-UHFFFAOYSA-N -1 1 380.353 0.587 20 0 GCADMM O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)NN1CC(=O)[N-]C1=O ZINC000770105691 1202084903 /nfs/dbraw/zinc/08/49/03/1202084903.db2.gz VJGCGHFJDIRFTL-UHFFFAOYSA-N -1 1 376.398 0.721 20 0 GCADMM C[C@H](CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])S(N)(=O)=O ZINC000770406406 1202097295 /nfs/dbraw/zinc/09/72/95/1202097295.db2.gz UNJFTURDTVLQTH-SSDOTTSWSA-N -1 1 399.347 0.910 20 0 GCADMM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000770621068 1202106018 /nfs/dbraw/zinc/10/60/18/1202106018.db2.gz FUGUZQYKYVVOIK-SNVBAGLBSA-N -1 1 383.430 0.493 20 0 GCADMM COC(=O)[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(OC)c(Cl)c1 ZINC000771663351 1202154269 /nfs/dbraw/zinc/15/42/69/1202154269.db2.gz MYGODHFMUFVTAK-CQSZACIVSA-N -1 1 395.799 0.619 20 0 GCADMM CO[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)C(F)(F)F ZINC001109938042 1202156309 /nfs/dbraw/zinc/15/63/09/1202156309.db2.gz PUQUJXBJOZNRKH-RCWTZXSCSA-N -1 1 377.367 0.297 20 0 GCADMM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000787945991 1205409423 /nfs/dbraw/zinc/40/94/23/1205409423.db2.gz KOIVKXDXDOSSHJ-OAQYLSRUSA-N -1 1 396.399 0.893 20 0 GCADMM CNC(=O)[C@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000788183507 1205415454 /nfs/dbraw/zinc/41/54/54/1205415454.db2.gz LQACPQZHNBREJS-OAHLLOKOSA-N -1 1 377.422 0.324 20 0 GCADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC000789975503 1205454470 /nfs/dbraw/zinc/45/44/70/1205454470.db2.gz CTPDQPJWDSWOGO-MRVPVSSYSA-N -1 1 380.430 0.816 20 0 GCADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000790057010 1205455830 /nfs/dbraw/zinc/45/58/30/1205455830.db2.gz RZEQTBBWAHKXAV-UHFFFAOYSA-N -1 1 375.772 0.947 20 0 GCADMM O=c1[n-]c2nc(=O)[nH]c(Nc3nc(Cl)cc([C@H]4CCC(=O)NC4)n3)c2[nH]1 ZINC001170216458 1205489419 /nfs/dbraw/zinc/48/94/19/1205489419.db2.gz DFDJGUBPBZMWPP-YFKPBYRVSA-N -1 1 376.764 0.896 20 0 GCADMM COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)C2)c1 ZINC000792637017 1205490858 /nfs/dbraw/zinc/49/08/58/1205490858.db2.gz BKWKXMZUJGTSPR-GFCCVEGCSA-N -1 1 395.397 0.357 20 0 GCADMM COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)C2)c1 ZINC000792637017 1205490860 /nfs/dbraw/zinc/49/08/60/1205490860.db2.gz BKWKXMZUJGTSPR-GFCCVEGCSA-N -1 1 395.397 0.357 20 0 GCADMM O=C([C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001170385161 1205491099 /nfs/dbraw/zinc/49/10/99/1205491099.db2.gz ZJSNTXYMBSVQNW-DZGCQCFKSA-N -1 1 388.403 0.330 20 0 GCADMM Cc1[nH]nc(I)c1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001170383782 1205491764 /nfs/dbraw/zinc/49/17/64/1205491764.db2.gz QGMAUPGQEQHNFF-ZCFIWIBFSA-N -1 1 389.157 0.050 20 0 GCADMM O=C(CC1(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)CCCC1)N1CCOCC1 ZINC001170375073 1205491781 /nfs/dbraw/zinc/49/17/81/1205491781.db2.gz GSASSBJNXJBUGU-CQSZACIVSA-N -1 1 392.460 0.299 20 0 GCADMM COc1cc(OC)c(OC)c2[nH]c(C(=O)N3CCOC[C@H]3c3nn[n-]n3)cc21 ZINC001170376015 1205491985 /nfs/dbraw/zinc/49/19/85/1205491985.db2.gz RUDOWFZRGFDRRU-NSHDSACASA-N -1 1 388.384 0.921 20 0 GCADMM Cn1c2ccc(S(=O)(=O)[N-]C(=O)c3ccc4cncn4c3)cc2n(C)c1=O ZINC000793223403 1205497016 /nfs/dbraw/zinc/49/70/16/1205497016.db2.gz NQRMYFGDNFGAJV-UHFFFAOYSA-N -1 1 385.405 0.643 20 0 GCADMM CN(C)c1noc(CCC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000793467926 1205498838 /nfs/dbraw/zinc/49/88/38/1205498838.db2.gz KJYCYXOOQSDDIG-SNVBAGLBSA-N -1 1 377.367 0.985 20 0 GCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000793944123 1205510770 /nfs/dbraw/zinc/51/07/70/1205510770.db2.gz PWCTUGNKDQYCRU-UHFFFAOYSA-N -1 1 379.420 0.824 20 0 GCADMM COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000794153535 1205512188 /nfs/dbraw/zinc/51/21/88/1205512188.db2.gz PGGOXEWGDYPGFT-QWHCGFSZSA-N -1 1 393.421 0.338 20 0 GCADMM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC000794215572 1205512889 /nfs/dbraw/zinc/51/28/89/1205512889.db2.gz ZZWHFLMNVZARST-JQWIXIFHSA-N -1 1 375.360 0.602 20 0 GCADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000794332733 1205513624 /nfs/dbraw/zinc/51/36/24/1205513624.db2.gz XRASOMCVZKHYCR-NWDGAFQWSA-N -1 1 387.458 0.873 20 0 GCADMM Cc1cc(=O)n2[n-]c(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)nc2n1 ZINC001129408563 1205514581 /nfs/dbraw/zinc/51/45/81/1205514581.db2.gz CENJQDZUCPALJS-UHFFFAOYSA-N -1 1 388.771 0.744 20 0 GCADMM C[C@H](O)c1cc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)ccc1F ZINC000804799218 1205525931 /nfs/dbraw/zinc/52/59/31/1205525931.db2.gz DIQYSJKEAKKGGT-QMMMGPOBSA-N -1 1 385.373 0.488 20 0 GCADMM CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)s1 ZINC000804912398 1205527303 /nfs/dbraw/zinc/52/73/03/1205527303.db2.gz WENKBIYZVYSRJB-VHSXEESVSA-N -1 1 394.457 0.120 20 0 GCADMM COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cn[n-]n1 ZINC000805606848 1205540498 /nfs/dbraw/zinc/54/04/98/1205540498.db2.gz BNGYJOJMPRXVMP-SECBINFHSA-N -1 1 397.413 0.248 20 0 GCADMM COCCCN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H]1CCS(=O)(=O)C1 ZINC000806489802 1205557583 /nfs/dbraw/zinc/55/75/83/1205557583.db2.gz FAACHYJISCVCNU-GFCCVEGCSA-N -1 1 381.458 0.399 20 0 GCADMM Cc1ccccc1CN1CCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806844436 1205567548 /nfs/dbraw/zinc/56/75/48/1205567548.db2.gz XODRTEYYQHMAGF-UHFFFAOYSA-N -1 1 392.463 0.933 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@H](OCC(F)(F)F)C3)ccnc1-2 ZINC000806852972 1205568330 /nfs/dbraw/zinc/56/83/30/1205568330.db2.gz GSFYXLCDJVGHRW-JTQLQIEISA-N -1 1 385.346 0.850 20 0 GCADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)ccnc1-2 ZINC000806865558 1205568669 /nfs/dbraw/zinc/56/86/69/1205568669.db2.gz BLWLESSQAOQDKJ-LBPRGKRZSA-N -1 1 378.392 0.202 20 0 GCADMM COc1ccc(CCNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c(OC)c1 ZINC000806879215 1205568891 /nfs/dbraw/zinc/56/88/91/1205568891.db2.gz XDBYSRBPFKKWHG-UHFFFAOYSA-N -1 1 383.408 0.656 20 0 GCADMM COc1cccc2c1OC[C@@H](NC(=O)C(=O)N=c1ccnc3n(C)[n-]cc1-3)C2 ZINC000806886957 1205568915 /nfs/dbraw/zinc/56/89/15/1205568915.db2.gz SGVFVZAMIPJMJO-LBPRGKRZSA-N 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945429597 /nfs/dbraw/zinc/42/95/97/945429597.db2.gz GVZUSPRMNDYYCV-PHIMTYICSA-N -1 1 385.457 0.872 20 0 GCADMM CCc1ncsc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571262155 945434712 /nfs/dbraw/zinc/43/47/12/945434712.db2.gz NMZDTCLEARVOPN-JTQLQIEISA-N -1 1 385.457 0.814 20 0 GCADMM Cc1nsc(C)c1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571262983 945447689 /nfs/dbraw/zinc/44/76/89/945447689.db2.gz DUMREWSIXGOBJM-LLVKDONJSA-N -1 1 385.457 0.986 20 0 GCADMM Cc1ncc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)s1 ZINC001571262976 945447856 /nfs/dbraw/zinc/44/78/56/945447856.db2.gz DPOYDYHJSVJSCX-MWLCHTKSSA-N -1 1 385.457 0.664 20 0 GCADMM Cc1nsc(N2C[C@@H](CNC(=O)c3ccncn3)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001571263223 945453577 /nfs/dbraw/zinc/45/35/77/945453577.db2.gz KJHVEKGILGVMDC-MWLCHTKSSA-N -1 1 385.457 0.924 20 0 GCADMM O=C(Cc1cncs1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571263334 945455298 /nfs/dbraw/zinc/45/52/98/945455298.db2.gz NDZINYJNJCOUQC-NSHDSACASA-N -1 1 385.457 0.831 20 0 GCADMM O=C(Cc1cncs1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571263334 945455302 /nfs/dbraw/zinc/45/53/02/945455302.db2.gz NDZINYJNJCOUQC-NSHDSACASA-N -1 1 385.457 0.831 20 0 GCADMM Cc1ncc(C(=O)N2C[C@@H](N=c3cc[nH]c(-c4nn[n-]n4)n3)C(C)(C)C2)s1 ZINC001571263489 945459064 /nfs/dbraw/zinc/45/90/64/945459064.db2.gz RINZOEMNADYXQA-LLVKDONJSA-N -1 1 385.457 0.806 20 0 GCADMM Cc1nc(C)c(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)s1 ZINC001571263538 945461144 /nfs/dbraw/zinc/46/11/44/945461144.db2.gz SOPNUYDVCAPMQF-KCJUWKMLSA-N -1 1 385.457 0.867 20 0 GCADMM Cc1nc(C)c(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)s1 ZINC001571263539 945461475 /nfs/dbraw/zinc/46/14/75/945461475.db2.gz SOPNUYDVCAPMQF-KWQFWETISA-N -1 1 385.457 0.867 20 0 GCADMM CS(C)(=O)=NS(=O)(=O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001571265372 945508813 /nfs/dbraw/zinc/50/88/13/945508813.db2.gz IPJGSHOPIKHNCP-UHFFFAOYSA-N -1 1 385.884 0.446 20 0 GCADMM CS(C)(=O)=NS(=O)(=O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001571265372 945508821 /nfs/dbraw/zinc/50/88/21/945508821.db2.gz IPJGSHOPIKHNCP-UHFFFAOYSA-N -1 1 385.884 0.446 20 0 GCADMM O=C(c1cncc(Cl)c1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265818 945521642 /nfs/dbraw/zinc/52/16/42/945521642.db2.gz PPWBKSTWQODUPO-LBPRGKRZSA-N -1 1 385.819 0.844 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1Cl ZINC001571265890 945523677 /nfs/dbraw/zinc/52/36/77/945523677.db2.gz RVFXYXNYNCYWQH-MGCOHNPYSA-N -1 1 385.819 0.748 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(Cl)cn1 ZINC001571266088 945531080 /nfs/dbraw/zinc/53/10/80/945531080.db2.gz VVZAGQJQXWGVNV-SNVBAGLBSA-N -1 1 385.819 0.961 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)cn1 ZINC001571266088 945531089 /nfs/dbraw/zinc/53/10/89/945531089.db2.gz VVZAGQJQXWGVNV-SNVBAGLBSA-N -1 1 385.819 0.961 20 0 GCADMM O=C(Cc1ccc(F)cc1F)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266974 945559807 /nfs/dbraw/zinc/55/98/07/945559807.db2.gz DYSQQBPZJAHPMF-GFCCVEGCSA-N -1 1 386.366 0.873 20 0 GCADMM O=C(Cc1ccc(F)cc1F)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266974 945559814 /nfs/dbraw/zinc/55/98/14/945559814.db2.gz DYSQQBPZJAHPMF-GFCCVEGCSA-N -1 1 386.366 0.873 20 0 GCADMM CC(C)COc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cn1 ZINC001571267051 945562140 /nfs/dbraw/zinc/56/21/40/945562140.db2.gz HUKYVHFPWKKVPD-UHFFFAOYSA-N -1 1 386.372 0.198 20 0 GCADMM O=C(Cc1cccc(F)c1F)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267297 945566859 /nfs/dbraw/zinc/56/68/59/945566859.db2.gz PSDSVOAVMRCCLQ-PHIMTYICSA-N -1 1 386.366 0.659 20 0 GCADMM CC[C@@H](C)[C@@H](O)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820859828 945571909 /nfs/dbraw/zinc/57/19/09/945571909.db2.gz GRJZSOYPXHXYQP-BMIGLBTASA-N -1 1 386.460 0.982 20 0 GCADMM CC[C@@H](C)[C@@H](O)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820859828 945571913 /nfs/dbraw/zinc/57/19/13/945571913.db2.gz GRJZSOYPXHXYQP-BMIGLBTASA-N -1 1 386.460 0.982 20 0 GCADMM C[C@@H](NC(=O)c1n[nH]cc1F)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267737 945577015 /nfs/dbraw/zinc/57/70/15/945577015.db2.gz CYHGHOLXELDSBK-ZJUUUORDSA-N -1 1 386.395 0.554 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001571267912 945580882 /nfs/dbraw/zinc/58/08/82/945580882.db2.gz IVHQKYVUMQZASE-NEPJUHHUSA-N -1 1 386.416 0.037 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001571267912 945580890 /nfs/dbraw/zinc/58/08/90/945580890.db2.gz IVHQKYVUMQZASE-NEPJUHHUSA-N -1 1 386.416 0.037 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)C[C@@H]2COC(=O)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571268427 945595154 /nfs/dbraw/zinc/59/51/54/945595154.db2.gz RQILXYDGVJAFJM-SDDRHHMPSA-N -1 1 386.416 0.083 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)C[C@@H]2COC(=O)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571268427 945595165 /nfs/dbraw/zinc/59/51/65/945595165.db2.gz RQILXYDGVJAFJM-SDDRHHMPSA-N -1 1 386.416 0.083 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)C3=COCCO3)CC[C@H]2C)n1 ZINC001571268541 945598571 /nfs/dbraw/zinc/59/85/71/945598571.db2.gz GXDFCVZGNNGPBY-VXGBXAGGSA-N -1 1 386.416 0.327 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)C3=COCCO3)CC[C@H]2C)n1 ZINC001571268541 945598577 /nfs/dbraw/zinc/59/85/77/945598577.db2.gz GXDFCVZGNNGPBY-VXGBXAGGSA-N -1 1 386.416 0.327 20 0 GCADMM O=C(C[C@@H]1COC(=O)C1)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571268773 945603631 /nfs/dbraw/zinc/60/36/31/945603631.db2.gz KDBPMJZNLFBDRY-UNXYVOJBSA-N -1 1 386.416 0.449 20 0 GCADMM O=C(C[C@@H]1COC(=O)C1)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571268773 945603634 /nfs/dbraw/zinc/60/36/34/945603634.db2.gz KDBPMJZNLFBDRY-UNXYVOJBSA-N -1 1 386.416 0.449 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)C1=COCCO1 ZINC001571269154 945614050 /nfs/dbraw/zinc/61/40/50/945614050.db2.gz QOVCPZTWGLIXFQ-LBPRGKRZSA-N -1 1 386.416 0.410 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)C1=COCCO1 ZINC001571269154 945614057 /nfs/dbraw/zinc/61/40/57/945614057.db2.gz QOVCPZTWGLIXFQ-LBPRGKRZSA-N -1 1 386.416 0.410 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cnns2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571269704 945623158 /nfs/dbraw/zinc/62/31/58/945623158.db2.gz COSLWNFNMJRNMI-JTQLQIEISA-N -1 1 386.445 0.497 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cnns2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571269704 945623161 /nfs/dbraw/zinc/62/31/61/945623161.db2.gz COSLWNFNMJRNMI-JTQLQIEISA-N -1 1 386.445 0.497 20 0 GCADMM CCc1nnsc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269664 945623430 /nfs/dbraw/zinc/62/34/30/945623430.db2.gz BVTYJYXUSUHMIY-SECBINFHSA-N -1 1 386.445 0.787 20 0 GCADMM CCc1nnsc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269664 945623437 /nfs/dbraw/zinc/62/34/37/945623437.db2.gz BVTYJYXUSUHMIY-SECBINFHSA-N -1 1 386.445 0.787 20 0 GCADMM Cc1nnsc1C(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269699 945623939 /nfs/dbraw/zinc/62/39/39/945623939.db2.gz CJLKFCSUUCNCEC-ZJUUUORDSA-N -1 1 386.445 0.827 20 0 GCADMM Cc1nnsc1C(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269699 945623942 /nfs/dbraw/zinc/62/39/42/945623942.db2.gz CJLKFCSUUCNCEC-ZJUUUORDSA-N -1 1 386.445 0.827 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cnsn2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571269870 945624564 /nfs/dbraw/zinc/62/45/64/945624564.db2.gz FTYLJNVGOCEIKZ-JTQLQIEISA-N -1 1 386.445 0.497 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cnsn2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571269870 945624573 /nfs/dbraw/zinc/62/45/73/945624573.db2.gz FTYLJNVGOCEIKZ-JTQLQIEISA-N -1 1 386.445 0.497 20 0 GCADMM COc1csc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269935 945627205 /nfs/dbraw/zinc/62/72/05/945627205.db2.gz IIVZFOWBJIEDAL-SNVBAGLBSA-N -1 1 386.441 0.983 20 0 GCADMM Cc1nnsc1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571269890 945627410 /nfs/dbraw/zinc/62/74/10/945627410.db2.gz GWCJWLSJMQGTIL-UHFFFAOYSA-N -1 1 386.445 0.558 20 0 GCADMM Cc1nnsc1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571269890 945627418 /nfs/dbraw/zinc/62/74/18/945627418.db2.gz GWCJWLSJMQGTIL-UHFFFAOYSA-N -1 1 386.445 0.558 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269998 945629013 /nfs/dbraw/zinc/62/90/13/945629013.db2.gz JWPFTXMHGWXGIS-VIFPVBQESA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269998 945629016 /nfs/dbraw/zinc/62/90/16/945629016.db2.gz JWPFTXMHGWXGIS-VIFPVBQESA-N -1 1 386.445 0.958 20 0 GCADMM COc1csc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571270095 945630591 /nfs/dbraw/zinc/63/05/91/945630591.db2.gz MYNJTUAPFUQHHZ-SNVBAGLBSA-N -1 1 386.441 0.865 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571270064 945630811 /nfs/dbraw/zinc/63/08/11/945630811.db2.gz LYGHLIZJGRIFFM-SECBINFHSA-N -1 1 386.445 0.640 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571270064 945630822 /nfs/dbraw/zinc/63/08/22/945630822.db2.gz LYGHLIZJGRIFFM-SECBINFHSA-N -1 1 386.445 0.640 20 0 GCADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cccc(C)n3)C2)c1-c1nn[n-]n1 ZINC001571270068 945631130 /nfs/dbraw/zinc/63/11/30/945631130.db2.gz MEBQAQVESKYJQX-VXGBXAGGSA-N -1 1 386.441 0.315 20 0 GCADMM O=C(c1csnn1)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270215 945631964 /nfs/dbraw/zinc/63/19/64/945631964.db2.gz NPCBUQMOGOBQOV-SNVBAGLBSA-N -1 1 386.445 0.863 20 0 GCADMM O=C(c1csnn1)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270215 945631971 /nfs/dbraw/zinc/63/19/71/945631971.db2.gz NPCBUQMOGOBQOV-SNVBAGLBSA-N -1 1 386.445 0.863 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2[C@H]3CN(c4snc(C)c4-c4nn[n-]n4)C[C@H]32)nn1 ZINC001571270223 945632577 /nfs/dbraw/zinc/63/25/77/945632577.db2.gz NUNPMYMFMBPKQS-GDGBQDQQSA-N -1 1 386.445 0.108 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)c3cnns3)C2)n1 ZINC001571270254 945632993 /nfs/dbraw/zinc/63/29/93/945632993.db2.gz OICMVFACOGFACO-SECBINFHSA-N -1 1 386.445 0.469 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)c3cnns3)C2)n1 ZINC001571270254 945633000 /nfs/dbraw/zinc/63/30/00/945633000.db2.gz OICMVFACOGFACO-SECBINFHSA-N -1 1 386.445 0.469 20 0 GCADMM C[C@@H](NC(=O)c1cnns1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571270256 945633073 /nfs/dbraw/zinc/63/30/73/945633073.db2.gz OKQWNBHNOOPYOG-SECBINFHSA-N -1 1 386.445 0.543 20 0 GCADMM C[C@@H](NC(=O)c1cnns1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571270256 945633077 /nfs/dbraw/zinc/63/30/77/945633077.db2.gz OKQWNBHNOOPYOG-SECBINFHSA-N -1 1 386.445 0.543 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571270264 945633342 /nfs/dbraw/zinc/63/33/42/945633342.db2.gz OOGIFFLAECQSCM-NSHDSACASA-N -1 1 386.441 0.980 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571270264 945633350 /nfs/dbraw/zinc/63/33/50/945633350.db2.gz OOGIFFLAECQSCM-NSHDSACASA-N -1 1 386.441 0.980 20 0 GCADMM O=C(c1cn[nH]c1)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571270386 945636461 /nfs/dbraw/zinc/63/64/61/945636461.db2.gz SAJFCZRJSRBBCI-UHFFFAOYSA-N -1 1 386.441 0.378 20 0 GCADMM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)c1ncccn1 ZINC001571270407 945636658 /nfs/dbraw/zinc/63/66/58/945636658.db2.gz SZFVEJQGSZULMH-LLVKDONJSA-N -1 1 386.441 0.349 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)c1ccsc1 ZINC001571270629 945638447 /nfs/dbraw/zinc/63/84/47/945638447.db2.gz XDEULZPAEHMDSQ-GFCCVEGCSA-N -1 1 386.441 0.744 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)c1ccsc1 ZINC001571270629 945638450 /nfs/dbraw/zinc/63/84/50/945638450.db2.gz XDEULZPAEHMDSQ-GFCCVEGCSA-N -1 1 386.441 0.744 20 0 GCADMM Cc1cscc1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571270609 945638572 /nfs/dbraw/zinc/63/85/72/945638572.db2.gz WNRSDLQULXOGIX-OLZOCXBDSA-N -1 1 386.441 0.315 20 0 GCADMM Cc1cscc1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571270609 945638575 /nfs/dbraw/zinc/63/85/75/945638575.db2.gz WNRSDLQULXOGIX-OLZOCXBDSA-N -1 1 386.441 0.315 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3cnns3)C2)cc(-c2nnn[n-]2)n1 ZINC001571270634 945638591 /nfs/dbraw/zinc/63/85/91/945638591.db2.gz XEUISVARNXEKJH-IUCAKERBSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3cnns3)C2)cc(-c2nn[n-]n2)n1 ZINC001571270634 945638601 /nfs/dbraw/zinc/63/86/01/945638601.db2.gz XEUISVARNXEKJH-IUCAKERBSA-N -1 1 386.445 0.786 20 0 GCADMM O=C(Cc1ccsc1)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571270712 945640147 /nfs/dbraw/zinc/64/01/47/945640147.db2.gz ZPTZRGTVXCKDKO-NEPJUHHUSA-N -1 1 386.441 0.017 20 0 GCADMM O=C(Cc1ccsc1)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571270713 945640460 /nfs/dbraw/zinc/64/04/60/945640460.db2.gz ZPTZRGTVXCKDKO-NWDGAFQWSA-N -1 1 386.441 0.017 20 0 GCADMM COC1CC(C(=O)N2CCC[C@@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571272200 945657467 /nfs/dbraw/zinc/65/74/67/945657467.db2.gz AVLDFZGZAQACQE-HSBZDZAISA-N -1 1 386.460 0.757 20 0 GCADMM COC1CC(C(=O)N2CCC[C@@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571272200 945657471 /nfs/dbraw/zinc/65/74/71/945657471.db2.gz AVLDFZGZAQACQE-HSBZDZAISA-N -1 1 386.460 0.757 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001571272467 945664416 /nfs/dbraw/zinc/66/44/16/945664416.db2.gz FJQFDWDULJZBSL-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM O=C(CCC1CCOCC1)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571272588 945665232 /nfs/dbraw/zinc/66/52/32/945665232.db2.gz FLVMULOVRQJXJL-UHFFFAOYSA-N -1 1 386.460 0.688 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571272576 945665757 /nfs/dbraw/zinc/66/57/57/945665757.db2.gz FLDVBXYINUZJIN-KBPBESRZSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571272576 945665764 /nfs/dbraw/zinc/66/57/64/945665764.db2.gz FLDVBXYINUZJIN-KBPBESRZSA-N -1 1 386.460 0.758 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)CC2CCOCC2)C1 ZINC001571272623 945667062 /nfs/dbraw/zinc/66/70/62/945667062.db2.gz GHBDAHWMAXCPPV-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)CC2CCOCC2)C1 ZINC001571272623 945667070 /nfs/dbraw/zinc/66/70/70/945667070.db2.gz GHBDAHWMAXCPPV-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)C1CCCCCC1 ZINC001571272616 945667740 /nfs/dbraw/zinc/66/77/40/945667740.db2.gz GFLCEDIFDGHAJU-CQSZACIVSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)C1CCCCCC1 ZINC001571272616 945667743 /nfs/dbraw/zinc/66/77/43/945667743.db2.gz GFLCEDIFDGHAJU-CQSZACIVSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(CCC1CC1)N1CCC(N(CCO)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571272704 945669086 /nfs/dbraw/zinc/66/90/86/945669086.db2.gz HWXHIMJMUMDIOB-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM O=C(CCC1CC1)N1CCC(N(CCO)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571272704 945669091 /nfs/dbraw/zinc/66/90/91/945669091.db2.gz HWXHIMJMUMDIOB-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571272699 945670137 /nfs/dbraw/zinc/67/01/37/945670137.db2.gz HSYPOFMOVYOITA-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571272699 945670143 /nfs/dbraw/zinc/67/01/43/945670143.db2.gz HSYPOFMOVYOITA-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM COC1CCC(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571272816 945671751 /nfs/dbraw/zinc/67/17/51/945671751.db2.gz IVALMGPLZKJEPH-ROKHWSDSSA-N -1 1 386.460 0.947 20 0 GCADMM COC1CCC(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272816 945671754 /nfs/dbraw/zinc/67/17/54/945671754.db2.gz IVALMGPLZKJEPH-ROKHWSDSSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)n1 ZINC001571272846 945673318 /nfs/dbraw/zinc/67/33/18/945673318.db2.gz JJRJTWWNZVABKZ-QHSBEEBCSA-N -1 1 386.460 0.313 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)C2)n1 ZINC001571272846 945673323 /nfs/dbraw/zinc/67/33/23/945673323.db2.gz JJRJTWWNZVABKZ-QHSBEEBCSA-N -1 1 386.460 0.313 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(C2)CN(C(=O)C(C)C)C[C@H](C)O3)n1 ZINC001571272868 945673580 /nfs/dbraw/zinc/67/35/80/945673580.db2.gz JRPMKAVGDMJIRN-UGSOOPFHSA-N -1 1 386.460 0.817 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(C2)CN(C(=O)C(C)C)C[C@H](C)O3)n1 ZINC001571272868 945673582 /nfs/dbraw/zinc/67/35/82/945673582.db2.gz JRPMKAVGDMJIRN-UGSOOPFHSA-N -1 1 386.460 0.817 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)CCC2CCOCC2)C1 ZINC001571272950 945674908 /nfs/dbraw/zinc/67/49/08/945674908.db2.gz LOISGDZFBIIWBF-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)CCC2CCOCC2)C1 ZINC001571272950 945674911 /nfs/dbraw/zinc/67/49/11/945674911.db2.gz LOISGDZFBIIWBF-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@H]3CCCCO3)[C@H]2C)n1 ZINC001571272929 945675473 /nfs/dbraw/zinc/67/54/73/945675473.db2.gz KZZFTJUIULXVMC-MBNYWOFBSA-N -1 1 386.460 0.872 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@H]3CCCCO3)[C@H]2C)n1 ZINC001571272929 945675479 /nfs/dbraw/zinc/67/54/79/945675479.db2.gz KZZFTJUIULXVMC-MBNYWOFBSA-N -1 1 386.460 0.872 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571273138 945679386 /nfs/dbraw/zinc/67/93/86/945679386.db2.gz QBSGYWRSKIIYQT-ZDUSSCGKSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571273138 945679391 /nfs/dbraw/zinc/67/93/91/945679391.db2.gz QBSGYWRSKIIYQT-ZDUSSCGKSA-N -1 1 386.460 0.758 20 0 GCADMM COC1CCC(C(=O)N[C@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571273134 945679477 /nfs/dbraw/zinc/67/94/77/945679477.db2.gz PXUWVNSATOXYMD-PWGQDJSOSA-N -1 1 386.460 0.947 20 0 GCADMM COC1CCC(C(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571273134 945679482 /nfs/dbraw/zinc/67/94/82/945679482.db2.gz PXUWVNSATOXYMD-PWGQDJSOSA-N -1 1 386.460 0.947 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571273199 945682510 /nfs/dbraw/zinc/68/25/10/945682510.db2.gz SLYVZXBUXKSGRC-ACJLOTCBSA-N -1 1 386.460 0.758 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@@]3(C)CCOC3)CC2)n1 ZINC001571273244 945684289 /nfs/dbraw/zinc/68/42/89/945684289.db2.gz TYMXZNHAXMJXNR-SFHVURJKSA-N -1 1 386.460 0.819 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@@]3(C)CCOC3)CC2)n1 ZINC001571273244 945684294 /nfs/dbraw/zinc/68/42/94/945684294.db2.gz TYMXZNHAXMJXNR-SFHVURJKSA-N -1 1 386.460 0.819 20 0 GCADMM CCc1nc(NC[C@H]2CN(C(=O)[C@H]3CC3(C)C)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571273334 945687013 /nfs/dbraw/zinc/68/70/13/945687013.db2.gz VQEZUSDERUBRKN-NWDGAFQWSA-N -1 1 386.460 0.905 20 0 GCADMM CCc1nc(NC[C@H]2CN(C(=O)[C@H]3CC3(C)C)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571273334 945687019 /nfs/dbraw/zinc/68/70/19/945687019.db2.gz VQEZUSDERUBRKN-NWDGAFQWSA-N -1 1 386.460 0.905 20 0 GCADMM CO[C@@H](C)C(=O)N1CC[C@]2(C1)CCCN(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001571273426 945688375 /nfs/dbraw/zinc/68/83/75/945688375.db2.gz XLGBUZTXZLCFHW-UGSOOPFHSA-N -1 1 386.460 0.819 20 0 GCADMM CO[C@@H](C)C(=O)N1CC[C@]2(C1)CCCN(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001571273426 945688379 /nfs/dbraw/zinc/68/83/79/945688379.db2.gz XLGBUZTXZLCFHW-UGSOOPFHSA-N -1 1 386.460 0.819 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@H]3CC3(C)C)[C@H](OC)C2)n1 ZINC001571273527 945691196 /nfs/dbraw/zinc/69/11/96/945691196.db2.gz ZBWAOPLGLHHDCZ-RAIGVLPGSA-N -1 1 386.460 0.585 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@H]3CC3(C)C)[C@H](OC)C2)n1 ZINC001571273527 945691202 /nfs/dbraw/zinc/69/12/02/945691202.db2.gz ZBWAOPLGLHHDCZ-RAIGVLPGSA-N -1 1 386.460 0.585 20 0 GCADMM O=C1COc2cc(S(=O)(=O)NCc3ccnc(-c4nnn[n-]4)c3)ccc2N1 ZINC001571274306 945695549 /nfs/dbraw/zinc/69/55/49/945695549.db2.gz FNSORFGQOWHIJE-UHFFFAOYSA-N -1 1 387.381 0.071 20 0 GCADMM O=C1COc2cc(S(=O)(=O)NCc3ccnc(-c4nn[n-]n4)c3)ccc2N1 ZINC001571274306 945695555 /nfs/dbraw/zinc/69/55/55/945695555.db2.gz FNSORFGQOWHIJE-UHFFFAOYSA-N -1 1 387.381 0.071 20 0 GCADMM Cn1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)cc1Cl ZINC001571275139 945704835 /nfs/dbraw/zinc/70/48/35/945704835.db2.gz QDYFIMSJCJMYQW-IUCAKERBSA-N -1 1 386.807 0.147 20 0 GCADMM Cn1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)cc1Cl ZINC001571275139 945704837 /nfs/dbraw/zinc/70/48/37/945704837.db2.gz QDYFIMSJCJMYQW-IUCAKERBSA-N -1 1 386.807 0.147 20 0 GCADMM C[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571275472 945706443 /nfs/dbraw/zinc/70/64/43/945706443.db2.gz USALBCKCZWBMEW-PRHODGIISA-N -1 1 387.354 0.903 20 0 GCADMM C[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571275472 945706452 /nfs/dbraw/zinc/70/64/52/945706452.db2.gz USALBCKCZWBMEW-PRHODGIISA-N -1 1 387.354 0.903 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001571275730 945713428 /nfs/dbraw/zinc/71/34/28/945713428.db2.gz BNEPFNGUSSRVDJ-JSGCOSHPSA-N -1 1 386.460 0.544 20 0 GCADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001571275887 945717721 /nfs/dbraw/zinc/71/77/21/945717721.db2.gz DZQUJJOYLBRKNL-HZSPNIEDSA-N -1 1 386.460 0.804 20 0 GCADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001571275887 945717723 /nfs/dbraw/zinc/71/77/23/945717723.db2.gz DZQUJJOYLBRKNL-HZSPNIEDSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC001571275883 945718195 /nfs/dbraw/zinc/71/81/95/945718195.db2.gz DXEIBAYDZGOKDG-UONOGXRCSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC001571275883 945718206 /nfs/dbraw/zinc/71/82/06/945718206.db2.gz DXEIBAYDZGOKDG-UONOGXRCSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@H]1C[C@@H](C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCO1 ZINC001571275914 945718792 /nfs/dbraw/zinc/71/87/92/945718792.db2.gz FPSRVRIIBIHQDG-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@H]1C[C@@H](C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCO1 ZINC001571275914 945718795 /nfs/dbraw/zinc/71/87/95/945718795.db2.gz FPSRVRIIBIHQDG-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)C2(C)CCOCC2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571275944 945720781 /nfs/dbraw/zinc/72/07/81/945720781.db2.gz GGMGWTFCQUDOBR-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)C2(C)CCOCC2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571275944 945720800 /nfs/dbraw/zinc/72/08/00/945720800.db2.gz GGMGWTFCQUDOBR-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571276085 945722316 /nfs/dbraw/zinc/72/23/16/945722316.db2.gz HAQZSIUDIBKHEA-XDQVBPFNSA-N -1 1 386.460 0.591 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(CCO)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001571276068 945722809 /nfs/dbraw/zinc/72/28/09/945722809.db2.gz GUPVJDBQQMGRNE-OCCSQVGLSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(CCO)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001571276068 945722817 /nfs/dbraw/zinc/72/28/17/945722817.db2.gz GUPVJDBQQMGRNE-OCCSQVGLSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H]1COCC[C@H]1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571276613 945732542 /nfs/dbraw/zinc/73/25/42/945732542.db2.gz JOEIVNNHEADJJC-GXTWGEPZSA-N -1 1 386.460 0.662 20 0 GCADMM C[C@H]1COCC[C@H]1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571276613 945732552 /nfs/dbraw/zinc/73/25/52/945732552.db2.gz JOEIVNNHEADJJC-GXTWGEPZSA-N -1 1 386.460 0.662 20 0 GCADMM C[C@@H]1COCC[C@@H]1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571276616 945734449 /nfs/dbraw/zinc/73/44/49/945734449.db2.gz JOEIVNNHEADJJC-OCCSQVGLSA-N -1 1 386.460 0.662 20 0 GCADMM C[C@@H]1COCC[C@@H]1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571276616 945734456 /nfs/dbraw/zinc/73/44/56/945734456.db2.gz JOEIVNNHEADJJC-OCCSQVGLSA-N -1 1 386.460 0.662 20 0 GCADMM CNS(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001571277047 945738423 /nfs/dbraw/zinc/73/84/23/945738423.db2.gz NRGZOMQFJYCVRH-UHFFFAOYSA-N -1 1 387.425 0.659 20 0 GCADMM CNS(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001571277047 945738435 /nfs/dbraw/zinc/73/84/35/945738435.db2.gz NRGZOMQFJYCVRH-UHFFFAOYSA-N -1 1 387.425 0.659 20 0 GCADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC001571277618 945744424 /nfs/dbraw/zinc/74/44/24/945744424.db2.gz MMKLYPWEQTYHBO-SCLBCKFNSA-N -1 1 386.460 0.688 20 0 GCADMM CC[C@H](OC)C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571277631 945745215 /nfs/dbraw/zinc/74/52/15/945745215.db2.gz MPJTZKUHHDSMLX-SCLBCKFNSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@H](OC)C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571277633 945745603 /nfs/dbraw/zinc/74/56/03/945745603.db2.gz MPJTZKUHHDSMLX-UGSOOPFHSA-N -1 1 386.460 0.901 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571278489 945753392 /nfs/dbraw/zinc/75/33/92/945753392.db2.gz OFEQOUGWZANJHL-FRRDWIJNSA-N -1 1 386.460 0.400 20 0 GCADMM CCOC1CC(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571278520 945756466 /nfs/dbraw/zinc/75/64/66/945756466.db2.gz OYNURGXNDFNZHY-UHFFFAOYSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001571278706 945757777 /nfs/dbraw/zinc/75/77/77/945757777.db2.gz AGDWOXPLAPJIRW-DTWKUNHWSA-N -1 1 387.429 0.924 20 0 GCADMM C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571278868 945762688 /nfs/dbraw/zinc/76/26/88/945762688.db2.gz DVUXFRQYUANYLM-RKDXNWHRSA-N -1 1 387.429 0.639 20 0 GCADMM C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571278868 945762697 /nfs/dbraw/zinc/76/26/97/945762697.db2.gz DVUXFRQYUANYLM-RKDXNWHRSA-N -1 1 387.429 0.639 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571278948 945765338 /nfs/dbraw/zinc/76/53/38/945765338.db2.gz SFGFZCNRDRRAST-IOASZLSFSA-N -1 1 386.460 0.899 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571278948 945765342 /nfs/dbraw/zinc/76/53/42/945765342.db2.gz SFGFZCNRDRRAST-IOASZLSFSA-N -1 1 386.460 0.899 20 0 GCADMM COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821640354 945765556 /nfs/dbraw/zinc/76/55/56/945765556.db2.gz GWRBVDUQTBGUHQ-SECBINFHSA-N -1 1 381.414 0.789 20 0 GCADMM COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821640354 945765563 /nfs/dbraw/zinc/76/55/63/945765563.db2.gz GWRBVDUQTBGUHQ-SECBINFHSA-N -1 1 381.414 0.789 20 0 GCADMM CCC[C@@H]1C[C@@H](C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278965 945765728 /nfs/dbraw/zinc/76/57/28/945765728.db2.gz SSMOIWVYTWFMSA-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3ccncn3)CCO2)c1-c1nn[n-]n1 ZINC001571279016 945766754 /nfs/dbraw/zinc/76/67/54/945766754.db2.gz GAIAJGMSYFFIJN-SNVBAGLBSA-N -1 1 387.429 0.375 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)c2ccns2)CCO1 ZINC001571279229 945772897 /nfs/dbraw/zinc/77/28/97/945772897.db2.gz LSWBBDPTOZDFSR-KOLCDFICSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2ccns2)CCO1 ZINC001571279229 945772902 /nfs/dbraw/zinc/77/29/02/945772902.db2.gz LSWBBDPTOZDFSR-KOLCDFICSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@H](CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571279336 945775726 /nfs/dbraw/zinc/77/57/26/945775726.db2.gz VDOJCTCMOMFIOF-OCCSQVGLSA-N -1 1 386.460 0.544 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)[C@H]1CCCOCC1 ZINC001571279675 945785124 /nfs/dbraw/zinc/78/51/24/945785124.db2.gz XVGHGGGTQHTRCN-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)[C@H]1CCCOCC1 ZINC001571279675 945785129 /nfs/dbraw/zinc/78/51/29/945785129.db2.gz XVGHGGGTQHTRCN-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM Cc1ncsc1C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571279844 945787701 /nfs/dbraw/zinc/78/77/01/945787701.db2.gz XQFCBIMSEPYXRT-SNVBAGLBSA-N -1 1 387.429 0.375 20 0 GCADMM Cc1ncsc1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571279844 945787705 /nfs/dbraw/zinc/78/77/05/945787705.db2.gz XQFCBIMSEPYXRT-SNVBAGLBSA-N -1 1 387.429 0.375 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571279790 945788839 /nfs/dbraw/zinc/78/88/39/945788839.db2.gz VZPBOBDJFYSPCM-PSASIEDQSA-N -1 1 387.429 0.842 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571279841 945789075 /nfs/dbraw/zinc/78/90/75/945789075.db2.gz XPHTZYUITSMNOJ-RKDXNWHRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571279841 945789079 /nfs/dbraw/zinc/78/90/79/945789079.db2.gz XPHTZYUITSMNOJ-RKDXNWHRSA-N -1 1 387.429 0.606 20 0 GCADMM Cc1nscc1C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571279861 945790772 /nfs/dbraw/zinc/79/07/72/945790772.db2.gz YBAMKSMSCOMSLU-SNVBAGLBSA-N -1 1 387.429 0.375 20 0 GCADMM Cc1nscc1C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571279861 945790781 /nfs/dbraw/zinc/79/07/81/945790781.db2.gz YBAMKSMSCOMSLU-SNVBAGLBSA-N -1 1 387.429 0.375 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C2CCCCC2)CCO1 ZINC001571280021 945794902 /nfs/dbraw/zinc/79/49/02/945794902.db2.gz ZQVFRLOOANJSGD-GXTWGEPZSA-N -1 1 386.460 0.687 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001573449095 945813325 /nfs/dbraw/zinc/81/33/25/945813325.db2.gz RYCBEKZVZULIMA-CYBMUJFWSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001573449095 945813343 /nfs/dbraw/zinc/81/33/43/945813343.db2.gz RYCBEKZVZULIMA-CYBMUJFWSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573452056 945841404 /nfs/dbraw/zinc/84/14/04/945841404.db2.gz AEWIGQSRWOYNCD-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573452056 945841415 /nfs/dbraw/zinc/84/14/15/945841415.db2.gz 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CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453957 945868737 /nfs/dbraw/zinc/86/87/37/945868737.db2.gz RPQXRHCJVJWORK-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453966 945869004 /nfs/dbraw/zinc/86/90/04/945869004.db2.gz SAJRZUZUHJXEHE-QGZVFWFLSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573453942 945869130 /nfs/dbraw/zinc/86/91/30/945869130.db2.gz RFHBGORXCSSRMF-HNNXBMFYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573453942 945869142 /nfs/dbraw/zinc/86/91/42/945869142.db2.gz RFHBGORXCSSRMF-HNNXBMFYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573454029 945872377 /nfs/dbraw/zinc/87/23/77/945872377.db2.gz UWMIIDVUPVMTFW-KRWDZBQOSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C 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/nfs/dbraw/zinc/93/22/42/945932242.db2.gz ADYYDCSUJWHQKX-PWSUYJOCSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573462195 945934759 /nfs/dbraw/zinc/93/47/59/945934759.db2.gz CAXAGWWJMQPBBS-GFCCVEGCSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573462217 945935018 /nfs/dbraw/zinc/93/50/18/945935018.db2.gz CUIMMVPNMPUDPU-RYUDHWBXSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573462217 945935023 /nfs/dbraw/zinc/93/50/23/945935023.db2.gz CUIMMVPNMPUDPU-RYUDHWBXSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573462209 945935494 /nfs/dbraw/zinc/93/54/94/945935494.db2.gz CJSITWBLPAALFS-GFCCVEGCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573462209 945935502 /nfs/dbraw/zinc/93/55/02/945935502.db2.gz 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GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573462996 945948518 /nfs/dbraw/zinc/94/85/18/945948518.db2.gz QNCMJTCDGOMHIQ-CMPLNLGQSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573463120 945949441 /nfs/dbraw/zinc/94/94/41/945949441.db2.gz QVXNVHPVYBJENV-LLVKDONJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573463120 945949453 /nfs/dbraw/zinc/94/94/53/945949453.db2.gz QVXNVHPVYBJENV-LLVKDONJSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571286515 945949591 /nfs/dbraw/zinc/94/95/91/945949591.db2.gz JSTAAAJJGLHYND-VXGBXAGGSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571286515 945949598 /nfs/dbraw/zinc/94/95/98/945949598.db2.gz JSTAAAJJGLHYND-VXGBXAGGSA-N -1 1 388.432 0.283 20 0 GCADMM O=C(CC1OCCCO1)N[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 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VURZFPYODPMDNI-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC1(C)CN(C(=O)CO[C@H]2CCOC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571286651 945955006 /nfs/dbraw/zinc/95/50/06/945955006.db2.gz NRILXIRMOWBGAX-AAEUAGOBSA-N -1 1 388.432 0.111 20 0 GCADMM CC1(C)CN(C(=O)CO[C@H]2CCOC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571286651 945955017 /nfs/dbraw/zinc/95/50/17/945955017.db2.gz NRILXIRMOWBGAX-AAEUAGOBSA-N -1 1 388.432 0.111 20 0 GCADMM Cc1cccnc1NC(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001571286655 945955079 /nfs/dbraw/zinc/95/50/79/945955079.db2.gz NROGRLWFAYNMGG-UHFFFAOYSA-N -1 1 388.413 0.272 20 0 GCADMM Cc1cccnc1NC(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001571286655 945955087 /nfs/dbraw/zinc/95/50/87/945955087.db2.gz NROGRLWFAYNMGG-UHFFFAOYSA-N -1 1 388.413 0.272 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573463440 945956325 /nfs/dbraw/zinc/95/63/25/945956325.db2.gz WKPLIWDMGBOMJP-NEPJUHHUSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573463440 945956330 /nfs/dbraw/zinc/95/63/30/945956330.db2.gz WKPLIWDMGBOMJP-NEPJUHHUSA-N -1 1 387.448 0.411 20 0 GCADMM CC1(C)CN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571286654 945956319 /nfs/dbraw/zinc/95/63/19/945956319.db2.gz NRILXIRMOWBGAX-YPMHNXCESA-N -1 1 388.432 0.111 20 0 GCADMM CC1(C)CN(C(=O)CO[C@@H]2CCOC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571286654 945956323 /nfs/dbraw/zinc/95/63/23/945956323.db2.gz NRILXIRMOWBGAX-YPMHNXCESA-N -1 1 388.432 0.111 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)CO[C@H]2CCOC2)n1 ZINC001571286792 945957379 /nfs/dbraw/zinc/95/73/79/945957379.db2.gz RNUBPFJJGCLZRL-OLZOCXBDSA-N -1 1 388.432 0.174 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)CO[C@H]2CCOC2)n1 ZINC001571286792 945957385 /nfs/dbraw/zinc/95/73/85/945957385.db2.gz RNUBPFJJGCLZRL-OLZOCXBDSA-N -1 1 388.432 0.174 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001573463542 945959125 /nfs/dbraw/zinc/95/91/25/945959125.db2.gz YJRQMQAXXOXJDF-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573463609 945959449 /nfs/dbraw/zinc/95/94/49/945959449.db2.gz YSNGLLIUVCMRAF-VIFPVBQESA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573463609 945959454 /nfs/dbraw/zinc/95/94/54/945959454.db2.gz YSNGLLIUVCMRAF-VIFPVBQESA-N -1 1 375.437 0.044 20 0 GCADMM Cc1c(-c2nnn[n-]2)nn(-c2cccnc2)c1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001571286868 945959908 /nfs/dbraw/zinc/95/99/08/945959908.db2.gz UGHPFNAKGPDLER-JTQLQIEISA-N -1 1 388.413 0.129 20 0 GCADMM Cc1c(-c2nn[n-]n2)nn(-c2cccnc2)c1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001571286868 945959913 /nfs/dbraw/zinc/95/99/13/945959913.db2.gz UGHPFNAKGPDLER-JTQLQIEISA-N -1 1 388.413 0.129 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573463765 945960714 /nfs/dbraw/zinc/96/07/14/945960714.db2.gz AQYMEMFIZYTOJO-HAQNSBGRSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573463765 945960720 /nfs/dbraw/zinc/96/07/20/945960720.db2.gz AQYMEMFIZYTOJO-HAQNSBGRSA-N -1 1 387.448 0.411 20 0 GCADMM O=C(CO[C@H]1CCOC1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571286936 945962482 /nfs/dbraw/zinc/96/24/82/945962482.db2.gz WFMHABAYPBXVPZ-OLZOCXBDSA-N -1 1 388.432 0.255 20 0 GCADMM O=C(CO[C@H]1CCOC1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571286936 945962494 /nfs/dbraw/zinc/96/24/94/945962494.db2.gz WFMHABAYPBXVPZ-OLZOCXBDSA-N -1 1 388.432 0.255 20 0 GCADMM O=C([C@@H]1COCCO1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571286977 945966624 /nfs/dbraw/zinc/96/66/24/945966624.db2.gz XBIMYEOEJMFEFY-STQMWFEESA-N -1 1 388.432 0.255 20 0 GCADMM O=C([C@@H]1COCCO1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571286977 945966635 /nfs/dbraw/zinc/96/66/35/945966635.db2.gz XBIMYEOEJMFEFY-STQMWFEESA-N -1 1 388.432 0.255 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573464578 945969165 /nfs/dbraw/zinc/96/91/65/945969165.db2.gz NKNCHYNQWYSWPB-MRVPVSSYSA-N -1 1 380.478 0.853 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573465241 945973509 /nfs/dbraw/zinc/97/35/09/945973509.db2.gz WXPDYHOOCGAMFA-HAQNSBGRSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573465241 945973514 /nfs/dbraw/zinc/97/35/14/945973514.db2.gz WXPDYHOOCGAMFA-HAQNSBGRSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573467799 945986813 /nfs/dbraw/zinc/98/68/13/945986813.db2.gz IGXMWXXCOVERJN-PKSQDBQZSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573467799 945986819 /nfs/dbraw/zinc/98/68/19/945986819.db2.gz IGXMWXXCOVERJN-PKSQDBQZSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573468051 945988650 /nfs/dbraw/zinc/98/86/50/945988650.db2.gz KKXNEIUQSABMJE-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573468051 945988659 /nfs/dbraw/zinc/98/86/59/945988659.db2.gz KKXNEIUQSABMJE-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC001573468141 945991674 /nfs/dbraw/zinc/99/16/74/945991674.db2.gz LCGIJXSLKZGDGD-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC001573468141 945991678 /nfs/dbraw/zinc/99/16/78/945991678.db2.gz LCGIJXSLKZGDGD-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573468938 946000128 /nfs/dbraw/zinc/00/01/28/946000128.db2.gz RXTYXVCNDDULNO-IINYFYTJSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573468938 946000138 /nfs/dbraw/zinc/00/01/38/946000138.db2.gz RXTYXVCNDDULNO-IINYFYTJSA-N -1 1 387.448 0.139 20 0 GCADMM Cc1nsc(NC2CCN(C(=O)CCn3ccnn3)CC2)c1-c1nn[n-]n1 ZINC001571289372 946003229 /nfs/dbraw/zinc/00/32/29/946003229.db2.gz AWYFOTBLTHVHRQ-UHFFFAOYSA-N -1 1 388.461 0.716 20 0 GCADMM COc1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)nn1C ZINC001571289785 946017414 /nfs/dbraw/zinc/01/74/14/946017414.db2.gz MMLHRWOOGUKTNL-UHFFFAOYSA-N -1 1 388.457 0.627 20 0 GCADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3ncn(C)n3)CC2)c1-c1nn[n-]n1 ZINC001571289794 946018548 /nfs/dbraw/zinc/01/85/48/946018548.db2.gz MOSATLVCKVERQI-SNVBAGLBSA-N -1 1 388.461 0.549 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573470255 946020107 /nfs/dbraw/zinc/02/01/07/946020107.db2.gz BONQCJHNVRVOBP-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573470255 946020117 /nfs/dbraw/zinc/02/01/17/946020117.db2.gz BONQCJHNVRVOBP-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM Cc1nsc(NCC[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)c1-c1nn[n-]n1 ZINC001571289845 946020548 /nfs/dbraw/zinc/02/05/48/946020548.db2.gz NVAJWKQNVIVZFA-SNVBAGLBSA-N -1 1 388.461 0.724 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573470404 946024364 /nfs/dbraw/zinc/02/43/64/946024364.db2.gz DSURDUCUFCIZFG-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573470485 946026653 /nfs/dbraw/zinc/02/66/53/946026653.db2.gz FSOCGINBHVOXNX-GXSJLCMTSA-N -1 1 378.462 0.559 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573470538 946027448 /nfs/dbraw/zinc/02/74/48/946027448.db2.gz GQHRIQADHCCJDK-PWSUYJOCSA-N -1 1 392.489 0.441 20 0 GCADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCC(=O)N2)c1-c1nn[n-]n1 ZINC001571290276 946034728 /nfs/dbraw/zinc/03/47/28/946034728.db2.gz ZDASXTHDLJWGQN-VWYCJHECSA-N -1 1 388.457 0.090 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573470895 946036440 /nfs/dbraw/zinc/03/64/40/946036440.db2.gz KNVMSXVKPCHXEK-YPMHNXCESA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573470895 946036452 /nfs/dbraw/zinc/03/64/52/946036452.db2.gz KNVMSXVKPCHXEK-YPMHNXCESA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573470893 946036700 /nfs/dbraw/zinc/03/67/00/946036700.db2.gz KNVMSXVKPCHXEK-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573470893 946036715 /nfs/dbraw/zinc/03/67/15/946036715.db2.gz KNVMSXVKPCHXEK-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)n1 ZINC001571290347 946038250 /nfs/dbraw/zinc/03/82/50/946038250.db2.gz BEXPEJUMRJHQBH-SECBINFHSA-N -1 1 388.823 0.679 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)n1 ZINC001571290347 946038267 /nfs/dbraw/zinc/03/82/67/946038267.db2.gz BEXPEJUMRJHQBH-SECBINFHSA-N -1 1 388.823 0.679 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571290320 946039368 /nfs/dbraw/zinc/03/93/68/946039368.db2.gz ALMHPDSSIYVGDD-LLVKDONJSA-N -1 1 388.823 0.610 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571290320 946039381 /nfs/dbraw/zinc/03/93/81/946039381.db2.gz ALMHPDSSIYVGDD-LLVKDONJSA-N -1 1 388.823 0.610 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)n1 ZINC001571290387 946043162 /nfs/dbraw/zinc/04/31/62/946043162.db2.gz CRBFJTISEAUJIY-VIFPVBQESA-N -1 1 388.823 0.679 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)n1 ZINC001571290387 946043177 /nfs/dbraw/zinc/04/31/77/946043177.db2.gz CRBFJTISEAUJIY-VIFPVBQESA-N -1 1 388.823 0.679 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571290673 946049530 /nfs/dbraw/zinc/04/95/30/946049530.db2.gz LMTPDBMBAYLQHU-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571290673 946049541 /nfs/dbraw/zinc/04/95/41/946049541.db2.gz LMTPDBMBAYLQHU-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571290674 946051848 /nfs/dbraw/zinc/05/18/48/946051848.db2.gz LMTPDBMBAYLQHU-VIFPVBQESA-N -1 1 388.823 0.760 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571290674 946051862 /nfs/dbraw/zinc/05/18/62/946051862.db2.gz LMTPDBMBAYLQHU-VIFPVBQESA-N -1 1 388.823 0.760 20 0 GCADMM CN(C(=O)c1cnn(C)c1Cl)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290764 946053365 /nfs/dbraw/zinc/05/33/65/946053365.db2.gz OEVRQBXIOIBAOY-VIFPVBQESA-N -1 1 388.823 0.395 20 0 GCADMM CN(C(=O)c1cnn(C)c1Cl)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290764 946053378 /nfs/dbraw/zinc/05/33/78/946053378.db2.gz OEVRQBXIOIBAOY-VIFPVBQESA-N -1 1 388.823 0.395 20 0 GCADMM Cn1nc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)cc1Cl ZINC001571290878 946058441 /nfs/dbraw/zinc/05/84/41/946058441.db2.gz RWYCUELYYGCSJJ-UHFFFAOYSA-N -1 1 388.823 0.664 20 0 GCADMM Cn1nc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)cc1Cl ZINC001571290878 946058455 /nfs/dbraw/zinc/05/84/55/946058455.db2.gz RWYCUELYYGCSJJ-UHFFFAOYSA-N -1 1 388.823 0.664 20 0 GCADMM Cn1c(Cl)ncc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290903 946061055 /nfs/dbraw/zinc/06/10/55/946061055.db2.gz UBNGTVSPDJBCNR-VIFPVBQESA-N -1 1 388.823 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573472189 946062417 /nfs/dbraw/zinc/06/24/17/946062417.db2.gz UMFYOHVWLNTJCA-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573472189 946062426 /nfs/dbraw/zinc/06/24/26/946062426.db2.gz UMFYOHVWLNTJCA-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM Cn1ncc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1Cl ZINC001571290999 946063885 /nfs/dbraw/zinc/06/38/85/946063885.db2.gz XJKGIJQXTFRMGV-OAHLLOKOSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1ncc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1Cl ZINC001571290999 946063894 /nfs/dbraw/zinc/06/38/94/946063894.db2.gz XJKGIJQXTFRMGV-OAHLLOKOSA-N -1 1 388.823 0.442 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001571291020 946064570 /nfs/dbraw/zinc/06/45/70/946064570.db2.gz YFDGNUZPDAGREE-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001571291020 946064580 /nfs/dbraw/zinc/06/45/80/946064580.db2.gz YFDGNUZPDAGREE-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573472348 946065003 /nfs/dbraw/zinc/06/50/03/946065003.db2.gz VPSCAWACTZWBOG-MFKMUULPSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573472348 946065014 /nfs/dbraw/zinc/06/50/14/946065014.db2.gz VPSCAWACTZWBOG-MFKMUULPSA-N -1 1 387.448 0.139 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571291023 946065094 /nfs/dbraw/zinc/06/50/94/946065094.db2.gz YGIGBJAVSCDMIN-OAHLLOKOSA-N -1 1 388.823 0.740 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571291023 946065107 /nfs/dbraw/zinc/06/51/07/946065107.db2.gz YGIGBJAVSCDMIN-OAHLLOKOSA-N -1 1 388.823 0.740 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573472346 946065690 /nfs/dbraw/zinc/06/56/90/946065690.db2.gz VPSCAWACTZWBOG-GWCFXTLKSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573472346 946065700 /nfs/dbraw/zinc/06/57/00/946065700.db2.gz VPSCAWACTZWBOG-GWCFXTLKSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573472706 946069966 /nfs/dbraw/zinc/06/99/66/946069966.db2.gz XTTUXVBHEYXWQZ-JTQLQIEISA-N -1 1 392.489 0.583 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)Nc2n[nH]cc2C(=O)N(C)C)cc1-c1nn[n-]n1 ZINC001571291245 946070854 /nfs/dbraw/zinc/07/08/54/946070854.db2.gz HBZNKYSTJYVOHX-UHFFFAOYSA-N -1 1 389.401 0.366 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001571291857 946085067 /nfs/dbraw/zinc/08/50/67/946085067.db2.gz RHOWPSUCEUDJME-GXFFZTMASA-N -1 1 389.416 0.219 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001571291857 946085079 /nfs/dbraw/zinc/08/50/79/946085079.db2.gz RHOWPSUCEUDJME-GXFFZTMASA-N -1 1 389.416 0.219 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573474295 946088566 /nfs/dbraw/zinc/08/85/66/946088566.db2.gz KEDFHNUTDUKCJE-JTQLQIEISA-N -1 1 378.462 0.195 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573474363 946090087 /nfs/dbraw/zinc/09/00/87/946090087.db2.gz KXYGTPRINBZEFM-ABKXIKBNSA-N -1 1 392.489 0.853 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC[C@@H]1CCOC1=O ZINC000822458093 946093913 /nfs/dbraw/zinc/09/39/13/946093913.db2.gz CQMOLRZLMXECOB-GFCCVEGCSA-N -1 1 399.411 0.955 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC[C@@H]1CCOC1=O ZINC000822458093 946093925 /nfs/dbraw/zinc/09/39/25/946093925.db2.gz CQMOLRZLMXECOB-GFCCVEGCSA-N -1 1 399.411 0.955 20 0 GCADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1scnc1C1CC1 ZINC001571292462 946095569 /nfs/dbraw/zinc/09/55/69/946095569.db2.gz ZVCCRZJKPMZEPO-UHFFFAOYSA-N -1 1 389.401 0.285 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1cncn1C ZINC000822459755 946096286 /nfs/dbraw/zinc/09/62/86/946096286.db2.gz VEIOSXHCJBUXQX-UHFFFAOYSA-N -1 1 381.400 0.936 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1cncn1C ZINC000822459755 946096299 /nfs/dbraw/zinc/09/62/99/946096299.db2.gz VEIOSXHCJBUXQX-UHFFFAOYSA-N -1 1 381.400 0.936 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573475661 946102781 /nfs/dbraw/zinc/10/27/81/946102781.db2.gz WOLRCNWCJWOFGU-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573475661 946102787 /nfs/dbraw/zinc/10/27/87/946102787.db2.gz WOLRCNWCJWOFGU-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573475788 946106539 /nfs/dbraw/zinc/10/65/39/946106539.db2.gz ATHSECUAXYBFOI-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573475788 946106545 /nfs/dbraw/zinc/10/65/45/946106545.db2.gz ATHSECUAXYBFOI-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H](Cc1ccsc1)N(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571293638 946110286 /nfs/dbraw/zinc/11/02/86/946110286.db2.gz NUKHUMHWVHDNIH-JTQLQIEISA-N -1 1 389.441 0.670 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573476024 946111386 /nfs/dbraw/zinc/11/13/86/946111386.db2.gz CHVDSRYONPIGQB-HTRCEHHLSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573476216 946115488 /nfs/dbraw/zinc/11/54/88/946115488.db2.gz DVLKIKCNMZSGQI-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1(c2cccnc2)CC1 ZINC001571293774 946116395 /nfs/dbraw/zinc/11/63/95/946116395.db2.gz RDXWMLLSEPVNAE-WDNDVIMCSA-N -1 1 389.423 0.334 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1(c2cccnc2)CC1 ZINC001571293774 946116405 /nfs/dbraw/zinc/11/64/05/946116405.db2.gz RDXWMLLSEPVNAE-WDNDVIMCSA-N -1 1 389.423 0.334 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573476375 946118162 /nfs/dbraw/zinc/11/81/62/946118162.db2.gz GBIQVRSWMQDBKW-RNFRBKRXSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001573476406 946118969 /nfs/dbraw/zinc/11/89/69/946118969.db2.gz GMPQVVJGIAAATP-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001573476406 946118977 /nfs/dbraw/zinc/11/89/77/946118977.db2.gz GMPQVVJGIAAATP-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573476859 946126666 /nfs/dbraw/zinc/12/66/66/946126666.db2.gz KACZXBXMCQGNNB-BQBZGAKWSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573476859 946126670 /nfs/dbraw/zinc/12/66/70/946126670.db2.gz KACZXBXMCQGNNB-BQBZGAKWSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573477354 946134126 /nfs/dbraw/zinc/13/41/26/946134126.db2.gz PCTSVQVBZDHRET-KOLCDFICSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573477419 946134477 /nfs/dbraw/zinc/13/44/77/946134477.db2.gz QMYNXVXLTDFDHD-GWCFXTLKSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573477419 946134485 /nfs/dbraw/zinc/13/44/85/946134485.db2.gz QMYNXVXLTDFDHD-GWCFXTLKSA-N -1 1 387.448 0.268 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccn(C(F)F)n1 ZINC001571294468 946136797 /nfs/dbraw/zinc/13/67/97/946136797.db2.gz IBWNLAVJKQZQJV-VIFPVBQESA-N -1 1 390.358 0.505 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccn(C(F)F)n1 ZINC001571294468 946136803 /nfs/dbraw/zinc/13/68/03/946136803.db2.gz IBWNLAVJKQZQJV-VIFPVBQESA-N -1 1 390.358 0.505 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccn(C(F)F)n1 ZINC001571294591 946139168 /nfs/dbraw/zinc/13/91/68/946139168.db2.gz JXVMWLNDDIIYGT-SECBINFHSA-N -1 1 390.358 0.647 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccn(C(F)F)n1 ZINC001571294591 946139171 /nfs/dbraw/zinc/13/91/71/946139171.db2.gz JXVMWLNDDIIYGT-SECBINFHSA-N -1 1 390.358 0.647 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC4(F)F)[C@@H]3C2)n1 ZINC001571294780 946145516 /nfs/dbraw/zinc/14/55/16/946145516.db2.gz MDHWNSRPQJGRSW-CHWFTXMASA-N -1 1 390.398 0.673 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC4(F)F)[C@@H]3C2)n1 ZINC001571294780 946145521 /nfs/dbraw/zinc/14/55/21/946145521.db2.gz MDHWNSRPQJGRSW-CHWFTXMASA-N -1 1 390.398 0.673 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ncc(Cl)s1 ZINC001571294854 946145606 /nfs/dbraw/zinc/14/56/06/946145606.db2.gz NRLMLNQMVCIAIW-IIDWOEFGSA-N -1 1 389.832 0.631 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ncc(Cl)s1 ZINC001571294854 946145610 /nfs/dbraw/zinc/14/56/10/946145610.db2.gz NRLMLNQMVCIAIW-IIDWOEFGSA-N -1 1 389.832 0.631 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573478515 946147282 /nfs/dbraw/zinc/14/72/82/946147282.db2.gz XAOYYYJZBZJPKK-MFKMUULPSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573478515 946147285 /nfs/dbraw/zinc/14/72/85/946147285.db2.gz XAOYYYJZBZJPKK-MFKMUULPSA-N -1 1 389.464 0.433 20 0 GCADMM Cn1ncc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1C(F)F ZINC001571295127 946153933 /nfs/dbraw/zinc/15/39/33/946153933.db2.gz ULOXXPSTCVKCDN-UHFFFAOYSA-N -1 1 390.358 0.290 20 0 GCADMM Cn1ncc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1C(F)F ZINC001571295127 946153942 /nfs/dbraw/zinc/15/39/42/946153942.db2.gz ULOXXPSTCVKCDN-UHFFFAOYSA-N -1 1 390.358 0.290 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(C(F)F)n[nH]1 ZINC001571295113 946154678 /nfs/dbraw/zinc/15/46/78/946154678.db2.gz TVGBMGBAQIQUFE-MRVPVSSYSA-N -1 1 390.358 0.574 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(C(F)F)n[nH]1 ZINC001571295113 946154686 /nfs/dbraw/zinc/15/46/86/946154686.db2.gz TVGBMGBAQIQUFE-MRVPVSSYSA-N -1 1 390.358 0.574 20 0 GCADMM Cn1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1C(F)F ZINC001571295104 946155231 /nfs/dbraw/zinc/15/52/31/946155231.db2.gz SXTNVSIWNYFWKB-MRVPVSSYSA-N -1 1 390.358 0.337 20 0 GCADMM Cn1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1C(F)F ZINC001571295104 946155237 /nfs/dbraw/zinc/15/52/37/946155237.db2.gz SXTNVSIWNYFWKB-MRVPVSSYSA-N -1 1 390.358 0.337 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573479241 946156649 /nfs/dbraw/zinc/15/66/49/946156649.db2.gz AXMSRMQPAFUACK-MFAVDMRSSA-N -1 1 378.462 0.463 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccn(CC(F)F)n1 ZINC001571295304 946158890 /nfs/dbraw/zinc/15/88/90/946158890.db2.gz XFQAGJRXUVPJGB-DTORHVGOSA-N -1 1 390.358 0.491 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccn(CC(F)F)n1 ZINC001571295304 946158900 /nfs/dbraw/zinc/15/89/00/946158900.db2.gz XFQAGJRXUVPJGB-DTORHVGOSA-N -1 1 390.358 0.491 20 0 GCADMM C[C@H]([N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1)c1nc(C(F)(F)F)no1 ZINC001571295356 946161110 /nfs/dbraw/zinc/16/11/10/946161110.db2.gz YRWMHXRNTPKIRW-YFKPBYRVSA-N -1 1 390.307 0.703 20 0 GCADMM Cc1nsc(N(C)[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1-c1nn[n-]n1 ZINC001571295400 946162613 /nfs/dbraw/zinc/16/26/13/946162613.db2.gz RWCVJGFDPCFAAJ-NMKXLXIOSA-N -1 1 389.485 0.951 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573479542 946164305 /nfs/dbraw/zinc/16/43/05/946164305.db2.gz FDELUFLUELOYDA-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573479542 946164310 /nfs/dbraw/zinc/16/43/10/946164310.db2.gz FDELUFLUELOYDA-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM Cc1noc(Cl)c1CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571295431 946164643 /nfs/dbraw/zinc/16/46/43/946164643.db2.gz SSJDNWAYFWEVTH-SECBINFHSA-N -1 1 389.807 0.862 20 0 GCADMM Cc1noc(Cl)c1CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571295431 946164651 /nfs/dbraw/zinc/16/46/51/946164651.db2.gz SSJDNWAYFWEVTH-SECBINFHSA-N -1 1 389.807 0.862 20 0 GCADMM Cc1nsc(N2C[C@H]3CN(C(=O)C[C@H]4CCOC4)C[C@H]3C2)c1-c1nn[n-]n1 ZINC001571295594 946169691 /nfs/dbraw/zinc/16/96/91/946169691.db2.gz YPRMRHGPDJFJMT-UPJWGTAASA-N -1 1 389.485 0.953 20 0 GCADMM COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571295671 946172460 /nfs/dbraw/zinc/17/24/60/946172460.db2.gz BRHAEVKCFBTPAR-LLVKDONJSA-N -1 1 390.400 0.460 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571295726 946172760 /nfs/dbraw/zinc/17/27/60/946172760.db2.gz DELUMBWOQFBOSS-WCQYABFASA-N -1 1 390.423 0.649 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571295726 946172766 /nfs/dbraw/zinc/17/27/66/946172766.db2.gz DELUMBWOQFBOSS-WCQYABFASA-N -1 1 390.423 0.649 20 0 GCADMM CC1(C)CO[C@@H](CCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)C1 ZINC001571295830 946177129 /nfs/dbraw/zinc/17/71/29/946177129.db2.gz HCPAJAOEVYBEPF-NSHDSACASA-N -1 1 390.448 0.960 20 0 GCADMM CC1(C)CO[C@@H](CCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)C1 ZINC001571295830 946177139 /nfs/dbraw/zinc/17/71/39/946177139.db2.gz HCPAJAOEVYBEPF-NSHDSACASA-N -1 1 390.448 0.960 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001571296022 946181790 /nfs/dbraw/zinc/18/17/90/946181790.db2.gz MEAIHSUKLLXQEY-PIGZYNQJSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001571296022 946181797 /nfs/dbraw/zinc/18/17/97/946181797.db2.gz MEAIHSUKLLXQEY-PIGZYNQJSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001571296021 946182212 /nfs/dbraw/zinc/18/22/12/946182212.db2.gz MEAIHSUKLLXQEY-GTNSWQLSSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001571296021 946182223 /nfs/dbraw/zinc/18/22/23/946182223.db2.gz MEAIHSUKLLXQEY-GTNSWQLSSA-N -1 1 390.423 0.824 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C1(F)CCCCC1 ZINC001571296041 946182625 /nfs/dbraw/zinc/18/26/25/946182625.db2.gz MLEKDDCVAUMIEC-NEPJUHHUSA-N -1 1 390.423 0.385 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C1(F)CCCCC1 ZINC001571296041 946182632 /nfs/dbraw/zinc/18/26/32/946182632.db2.gz MLEKDDCVAUMIEC-NEPJUHHUSA-N -1 1 390.423 0.385 20 0 GCADMM C[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCC[C@@H](C)C1 ZINC001571296119 946184183 /nfs/dbraw/zinc/18/41/83/946184183.db2.gz OJCTUJDCLXBGJW-WOPDTQHZSA-N -1 1 390.448 0.643 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571296218 946188957 /nfs/dbraw/zinc/18/89/57/946188957.db2.gz QZJHPERHDNIHJI-NWDGAFQWSA-N -1 1 390.423 0.246 20 0 GCADMM Cc1nsc(N2CCO[C@@H](CNC(=O)c3ncoc3C)C2)c1-c1nn[n-]n1 ZINC001571296255 946189190 /nfs/dbraw/zinc/18/91/90/946189190.db2.gz RXCTZXOZNHCAQA-JTQLQIEISA-N -1 1 390.429 0.563 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571296310 946192004 /nfs/dbraw/zinc/19/20/04/946192004.db2.gz ULDGFLPHLKDAPX-QGZVFWFLSA-N -1 1 390.423 0.744 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571296310 946192014 /nfs/dbraw/zinc/19/20/14/946192014.db2.gz ULDGFLPHLKDAPX-QGZVFWFLSA-N -1 1 390.423 0.744 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001571296444 946193297 /nfs/dbraw/zinc/19/32/97/946193297.db2.gz YGEBPYCIXNLANT-DIFFPNOSSA-N -1 1 390.423 0.506 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001571296444 946193307 /nfs/dbraw/zinc/19/33/07/946193307.db2.gz YGEBPYCIXNLANT-DIFFPNOSSA-N -1 1 390.423 0.506 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573482290 946193595 /nfs/dbraw/zinc/19/35/95/946193595.db2.gz WCSUQUNLSUTIBV-YPMHNXCESA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573482290 946193602 /nfs/dbraw/zinc/19/36/02/946193602.db2.gz WCSUQUNLSUTIBV-YPMHNXCESA-N -1 1 387.448 0.047 20 0 GCADMM O=C(N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1)[C@@]1(F)CCOC1 ZINC001571296395 946193813 /nfs/dbraw/zinc/19/38/13/946193813.db2.gz WXVHDSAMJLSHFQ-SJKOYZFVSA-N -1 1 390.423 0.968 20 0 GCADMM O=C(N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1)[C@@]1(F)CCOC1 ZINC001571296395 946193822 /nfs/dbraw/zinc/19/38/22/946193822.db2.gz WXVHDSAMJLSHFQ-SJKOYZFVSA-N -1 1 390.423 0.968 20 0 GCADMM CS[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571297997 946202959 /nfs/dbraw/zinc/20/29/59/946202959.db2.gz GOHDQWZMDHTEOJ-ZBEGNZNMSA-N -1 1 390.473 0.216 20 0 GCADMM CS[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571297997 946202963 /nfs/dbraw/zinc/20/29/63/946202963.db2.gz GOHDQWZMDHTEOJ-ZBEGNZNMSA-N -1 1 390.473 0.216 20 0 GCADMM Cc1nsc(N2CC[C@@](C)(NC(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571298022 946203375 /nfs/dbraw/zinc/20/33/75/946203375.db2.gz HKKABUWSQFKTKA-MGPLVRAMSA-N -1 1 390.473 0.243 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573484078 946215897 /nfs/dbraw/zinc/21/58/97/946215897.db2.gz KARXOLCDMAVCPA-WCQYABFASA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573484078 946215908 /nfs/dbraw/zinc/21/59/08/946215908.db2.gz KARXOLCDMAVCPA-WCQYABFASA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nn[n-]n1 ZINC001573484514 946216797 /nfs/dbraw/zinc/21/67/97/946216797.db2.gz MEMZQBWQUDBOTB-HKWIRBFKSA-N -1 1 390.473 0.382 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)o1 ZINC001571298512 946219766 /nfs/dbraw/zinc/21/97/66/946219766.db2.gz AAHUSNQCRDMDCY-SECBINFHSA-N -1 1 390.791 0.538 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001571298881 946233642 /nfs/dbraw/zinc/23/36/42/946233642.db2.gz LKTAXLQYSVRVMC-DYVFJYSZSA-N -1 1 390.448 0.093 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001571298881 946233648 /nfs/dbraw/zinc/23/36/48/946233648.db2.gz LKTAXLQYSVRVMC-DYVFJYSZSA-N -1 1 390.448 0.093 20 0 GCADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)c1-c1nn[n-]n1 ZINC001571299074 946238689 /nfs/dbraw/zinc/23/86/89/946238689.db2.gz UFKRVOCEGDEVBF-GHMZBOCLSA-N -1 1 390.473 0.703 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573487272 946249087 /nfs/dbraw/zinc/24/90/87/946249087.db2.gz LODLQLVGJZMDPJ-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573487272 946249098 /nfs/dbraw/zinc/24/90/98/946249098.db2.gz LODLQLVGJZMDPJ-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573487432 946251120 /nfs/dbraw/zinc/25/11/20/946251120.db2.gz OATBWEKONXFENI-RISCZKNCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573487432 946251133 /nfs/dbraw/zinc/25/11/33/946251133.db2.gz OATBWEKONXFENI-RISCZKNCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573487438 946252084 /nfs/dbraw/zinc/25/20/84/946252084.db2.gz OBPYJEKSXQJBGS-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573487438 946252096 /nfs/dbraw/zinc/25/20/96/946252096.db2.gz OBPYJEKSXQJBGS-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573487441 946252900 /nfs/dbraw/zinc/25/29/00/946252900.db2.gz OBPYJEKSXQJBGS-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573487441 946252913 /nfs/dbraw/zinc/25/29/13/946252913.db2.gz OBPYJEKSXQJBGS-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM O=C(NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)C1Cc2ccccc2C1 ZINC001571299650 946256576 /nfs/dbraw/zinc/25/65/76/946256576.db2.gz YSUGRWNHJAQQNY-UHFFFAOYSA-N -1 1 390.451 0.800 20 0 GCADMM O=C(COc1ccc(Br)cc1)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001571299621 946256685 /nfs/dbraw/zinc/25/66/85/946256685.db2.gz NLMLRLMRKIDPHI-UHFFFAOYSA-N -1 1 391.185 0.834 20 0 GCADMM O=C(Cc1ccc(Br)cc1)Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001571299689 946260004 /nfs/dbraw/zinc/26/00/04/946260004.db2.gz OPCABVVTYGRUMG-UHFFFAOYSA-N -1 1 391.185 0.703 20 0 GCADMM CO[C@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001571299818 946261252 /nfs/dbraw/zinc/26/12/52/946261252.db2.gz VMHKCVLCXJPMNF-WFASDCNBSA-N -1 1 390.448 0.357 20 0 GCADMM CO[C@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001571299818 946261264 /nfs/dbraw/zinc/26/12/64/946261264.db2.gz VMHKCVLCXJPMNF-WFASDCNBSA-N -1 1 390.448 0.357 20 0 GCADMM CO[C@@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001571299817 946261466 /nfs/dbraw/zinc/26/14/66/946261466.db2.gz VMHKCVLCXJPMNF-SWLSCSKDSA-N -1 1 390.448 0.357 20 0 GCADMM CO[C@@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001571299817 946261475 /nfs/dbraw/zinc/26/14/75/946261475.db2.gz VMHKCVLCXJPMNF-SWLSCSKDSA-N -1 1 390.448 0.357 20 0 GCADMM CNc1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c(Cl)c1 ZINC001571299920 946266609 /nfs/dbraw/zinc/26/66/09/946266609.db2.gz RDHPGUHOHJWWHH-UHFFFAOYSA-N -1 1 390.791 0.254 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488521 946267122 /nfs/dbraw/zinc/26/71/22/946267122.db2.gz AXDBMZZNKBONQN-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM O=C(COC(=O)[C@H]1CCC[C@@H]1O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018676 946275601 /nfs/dbraw/zinc/27/56/01/946275601.db2.gz VZNNCPMCNUXSDP-JSGCOSHPSA-N -1 1 397.395 0.695 20 0 GCADMM O=C(COC(=O)[C@H]1CCC[C@@H]1O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018676 946275607 /nfs/dbraw/zinc/27/56/07/946275607.db2.gz VZNNCPMCNUXSDP-JSGCOSHPSA-N -1 1 397.395 0.695 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488814 946277341 /nfs/dbraw/zinc/27/73/41/946277341.db2.gz MUEHFFKHQKOZKC-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488814 946277351 /nfs/dbraw/zinc/27/73/51/946277351.db2.gz MUEHFFKHQKOZKC-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488931 946279756 /nfs/dbraw/zinc/27/97/56/946279756.db2.gz QIWWIPYMUJSCIF-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488931 946279766 /nfs/dbraw/zinc/27/97/66/946279766.db2.gz QIWWIPYMUJSCIF-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488932 946280712 /nfs/dbraw/zinc/28/07/12/946280712.db2.gz QIWWIPYMUJSCIF-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488932 946280721 /nfs/dbraw/zinc/28/07/21/946280721.db2.gz QIWWIPYMUJSCIF-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488886 946281266 /nfs/dbraw/zinc/28/12/66/946281266.db2.gz OWDXXMMWWXZFBQ-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488886 946281277 /nfs/dbraw/zinc/28/12/77/946281277.db2.gz OWDXXMMWWXZFBQ-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001573489025 946284622 /nfs/dbraw/zinc/28/46/22/946284622.db2.gz UWMOZAWTKPDVIH-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001573489025 946284631 /nfs/dbraw/zinc/28/46/31/946284631.db2.gz UWMOZAWTKPDVIH-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573489023 946286160 /nfs/dbraw/zinc/28/61/60/946286160.db2.gz UVNZNVNJBKMSOF-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573489023 946286167 /nfs/dbraw/zinc/28/61/67/946286167.db2.gz UVNZNVNJBKMSOF-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM C[C@@H]1CN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C[C@H]1CS(N)(=O)=O ZINC001571302113 946292302 /nfs/dbraw/zinc/29/23/02/946292302.db2.gz OYTBGBLZKYSWLF-SFYZADRCSA-N -1 1 391.379 0.641 20 0 GCADMM C[C@@H]1CN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C[C@H]1CS(N)(=O)=O ZINC001571302113 946292308 /nfs/dbraw/zinc/29/23/08/946292308.db2.gz OYTBGBLZKYSWLF-SFYZADRCSA-N -1 1 391.379 0.641 20 0 GCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ocnc1C(F)F ZINC001571302352 946301277 /nfs/dbraw/zinc/30/12/77/946301277.db2.gz VNJULOMTLPHVBB-UHFFFAOYSA-N -1 1 391.342 0.981 20 0 GCADMM O=C(Cc1cccnc1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571302555 946307380 /nfs/dbraw/zinc/30/73/80/946307380.db2.gz BELVTYDVFAHPEE-ZNMIVQPWSA-N -1 1 391.439 0.768 20 0 GCADMM O=C(Cc1cccnc1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571302555 946307390 /nfs/dbraw/zinc/30/73/90/946307390.db2.gz BELVTYDVFAHPEE-ZNMIVQPWSA-N -1 1 391.439 0.768 20 0 GCADMM O=C(NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1Cc2cccnc2C1 ZINC001571302611 946308000 /nfs/dbraw/zinc/30/80/00/946308000.db2.gz CSLSWWHOXXNSDU-QRMWWUJWSA-N -1 1 391.439 0.773 20 0 GCADMM O=C(NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2cccnc2C1 ZINC001571302611 946308010 /nfs/dbraw/zinc/30/80/10/946308010.db2.gz CSLSWWHOXXNSDU-QRMWWUJWSA-N -1 1 391.439 0.773 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCc2cccnc21 ZINC001571302654 946311660 /nfs/dbraw/zinc/31/16/60/946311660.db2.gz DOYRPBRDRJWFTR-ZIAGYGMSSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2cccnc21 ZINC001571302654 946311671 /nfs/dbraw/zinc/31/16/71/946311671.db2.gz DOYRPBRDRJWFTR-ZIAGYGMSSA-N -1 1 391.439 0.867 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)n1 ZINC001571302831 946314765 /nfs/dbraw/zinc/31/47/65/946314765.db2.gz HBNDKDRLYKEPAO-KGLIPLIRSA-N -1 1 391.439 0.788 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)n1 ZINC001571302831 946314778 /nfs/dbraw/zinc/31/47/78/946314778.db2.gz HBNDKDRLYKEPAO-KGLIPLIRSA-N -1 1 391.439 0.788 20 0 GCADMM CCc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)nc1 ZINC001571302807 946316667 /nfs/dbraw/zinc/31/66/67/946316667.db2.gz DACNLNHOOFSWNP-UOIKSKOESA-N -1 1 391.439 0.408 20 0 GCADMM CCc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)nc1 ZINC001571302807 946316679 /nfs/dbraw/zinc/31/66/79/946316679.db2.gz DACNLNHOOFSWNP-UOIKSKOESA-N -1 1 391.439 0.408 20 0 GCADMM CC(=O)NC1CCC(C(=O)NCCCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573496295 946324214 /nfs/dbraw/zinc/32/42/14/946324214.db2.gz YDQWKTUFWFYRBN-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1CCC(C(=O)NCCCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573496295 946324223 /nfs/dbraw/zinc/32/42/23/946324223.db2.gz YDQWKTUFWFYRBN-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(CN2CCCCC2=O)c1 ZINC000823136150 946326631 /nfs/dbraw/zinc/32/66/31/946326631.db2.gz MCSQLXQCRWLNBJ-UHFFFAOYSA-N -1 1 381.400 0.609 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)ccn1 ZINC001571303313 946332102 /nfs/dbraw/zinc/33/21/02/946332102.db2.gz OQVORTOPCDFSIX-ZIAGYGMSSA-N -1 1 391.439 0.935 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1cccnc1 ZINC001571303322 946332335 /nfs/dbraw/zinc/33/23/35/946332335.db2.gz KFPLTKMSCCGEON-AEGPPILISA-N -1 1 391.439 0.750 20 0 GCADMM O=C(CCc1ccccn1)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571303539 946340183 /nfs/dbraw/zinc/34/01/83/946340183.db2.gz SJKDHKCHCZBEAL-XJKSGUPXSA-N -1 1 391.439 0.722 20 0 GCADMM O=C(CCc1ccccn1)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571303539 946340194 /nfs/dbraw/zinc/34/01/94/946340194.db2.gz SJKDHKCHCZBEAL-XJKSGUPXSA-N -1 1 391.439 0.722 20 0 GCADMM CC(=O)NCC(=O)N(C)C1CC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573497092 946341025 /nfs/dbraw/zinc/34/10/25/946341025.db2.gz KOLGUZVOUJBOIN-UHFFFAOYSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N(C)C1CC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573497092 946341035 /nfs/dbraw/zinc/34/10/35/946341035.db2.gz KOLGUZVOUJBOIN-UHFFFAOYSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N(C)[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573497276 946347237 /nfs/dbraw/zinc/34/72/37/946347237.db2.gz OXHOIHBIGFEHOV-QMMMGPOBSA-N -1 1 384.853 0.150 20 0 GCADMM Cc1ccncc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571303815 946348435 /nfs/dbraw/zinc/34/84/35/946348435.db2.gz YRJUMOUGJJFUJF-YCPHGPKFSA-N -1 1 391.439 0.829 20 0 GCADMM Cc1ccncc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001571303815 946348451 /nfs/dbraw/zinc/34/84/51/946348451.db2.gz YRJUMOUGJJFUJF-YCPHGPKFSA-N -1 1 391.439 0.829 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001571303884 946350990 /nfs/dbraw/zinc/35/09/90/946350990.db2.gz RYMGITVUGLUANE-QLFBSQMISA-N -1 1 391.439 0.893 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001571303884 946351002 /nfs/dbraw/zinc/35/10/02/946351002.db2.gz RYMGITVUGLUANE-QLFBSQMISA-N -1 1 391.439 0.893 20 0 GCADMM COC(=O)[C@@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC001571304037 946355763 /nfs/dbraw/zinc/35/57/63/946355763.db2.gz WLGHJBPACFULLT-ZJUUUORDSA-N -1 1 391.436 0.088 20 0 GCADMM COC(=O)[C@@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC001571304037 946355769 /nfs/dbraw/zinc/35/57/69/946355769.db2.gz WLGHJBPACFULLT-ZJUUUORDSA-N -1 1 391.436 0.088 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571304174 946359476 /nfs/dbraw/zinc/35/94/76/946359476.db2.gz ZPDOPVODTLZMIT-XBFCOCLRSA-N -1 1 391.439 0.550 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571304174 946359492 /nfs/dbraw/zinc/35/94/92/946359492.db2.gz ZPDOPVODTLZMIT-XBFCOCLRSA-N -1 1 391.439 0.550 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCCNC3=O)C2)c1-c1nn[n-]n1 ZINC001571305679 946372681 /nfs/dbraw/zinc/37/26/81/946372681.db2.gz AAKJCPRWHIMWEH-JTQLQIEISA-N -1 1 391.461 0.060 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305901 946377946 /nfs/dbraw/zinc/37/79/46/946377946.db2.gz CYVGHNFSHFESTF-XWLWVQCSSA-N -1 1 391.457 0.747 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C ZINC001573502508 946386743 /nfs/dbraw/zinc/38/67/43/946386743.db2.gz WUCFXJYBRGMOFT-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001571306344 946395951 /nfs/dbraw/zinc/39/59/51/946395951.db2.gz TWEJGFFLVVSWDI-APPZFPTMSA-N -1 1 391.862 0.232 20 0 GCADMM C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001571306344 946395958 /nfs/dbraw/zinc/39/59/58/946395958.db2.gz TWEJGFFLVVSWDI-APPZFPTMSA-N -1 1 391.862 0.232 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)C3=COCCO3)CC2)c1-c1nn[n-]n1 ZINC001571306478 946401976 /nfs/dbraw/zinc/40/19/76/946401976.db2.gz LNGIPCLQYUYSAB-NSHDSACASA-N -1 1 391.457 0.995 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nn[n-]n1 ZINC001573504187 946408607 /nfs/dbraw/zinc/40/86/07/946408607.db2.gz FUMUSSOTFXAFLE-NEPJUHHUSA-N -1 1 390.473 0.337 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573504575 946410436 /nfs/dbraw/zinc/41/04/36/946410436.db2.gz HMTBFMJDGSUZFP-QMMMGPOBSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573504575 946410443 /nfs/dbraw/zinc/41/04/43/946410443.db2.gz HMTBFMJDGSUZFP-QMMMGPOBSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573504610 946411185 /nfs/dbraw/zinc/41/11/85/946411185.db2.gz HTWDCVWETQROJZ-IINYFYTJSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573504610 946411188 /nfs/dbraw/zinc/41/11/88/946411188.db2.gz HTWDCVWETQROJZ-IINYFYTJSA-N -1 1 387.448 0.140 20 0 GCADMM COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001571307866 946427745 /nfs/dbraw/zinc/42/77/45/946427745.db2.gz IEFRQQYCABVUFG-UHFFFAOYSA-N -1 1 392.397 0.971 20 0 GCADMM COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001571307866 946427749 /nfs/dbraw/zinc/42/77/49/946427749.db2.gz IEFRQQYCABVUFG-UHFFFAOYSA-N -1 1 392.397 0.971 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@@H]1Cc2ccc(F)cc21 ZINC001571308302 946431473 /nfs/dbraw/zinc/43/14/73/946431473.db2.gz NVOMASUMFZVBKC-WVZRYYJFSA-N -1 1 392.398 0.687 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1Cc2ccc(F)cc21 ZINC001571308302 946431475 /nfs/dbraw/zinc/43/14/75/946431475.db2.gz NVOMASUMFZVBKC-WVZRYYJFSA-N -1 1 392.398 0.687 20 0 GCADMM C[C@]1(NC(=O)[C@H]2COc3ccccc32)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571309522 946447678 /nfs/dbraw/zinc/44/76/78/946447678.db2.gz CJEVBICTARDXJN-DJJJIMSYSA-N -1 1 392.423 0.918 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573507665 946448951 /nfs/dbraw/zinc/44/89/51/946448951.db2.gz WJOCRACCUBHSAH-QMMMGPOBSA-N -1 1 384.853 0.516 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2cccc3c2OCC3)C1 ZINC001571309604 946449730 /nfs/dbraw/zinc/44/97/30/946449730.db2.gz FPFAUBRHILYYCB-CYBMUJFWSA-N -1 1 392.423 0.943 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2cccc3c2OCC3)C1 ZINC001571309604 946449744 /nfs/dbraw/zinc/44/97/44/946449744.db2.gz FPFAUBRHILYYCB-CYBMUJFWSA-N -1 1 392.423 0.943 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)n1 ZINC001571309776 946453649 /nfs/dbraw/zinc/45/36/49/946453649.db2.gz KKVDURFCWZWQIY-XJKSGUPXSA-N -1 1 392.423 0.664 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)n1 ZINC001571309776 946453656 /nfs/dbraw/zinc/45/36/56/946453656.db2.gz KKVDURFCWZWQIY-XJKSGUPXSA-N -1 1 392.423 0.664 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)cc1 ZINC001571309826 946454877 /nfs/dbraw/zinc/45/48/77/946454877.db2.gz MAFNNVKUMOOBAV-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)cc1 ZINC001571309826 946454886 /nfs/dbraw/zinc/45/48/86/946454886.db2.gz MAFNNVKUMOOBAV-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC001573508313 946455133 /nfs/dbraw/zinc/45/51/33/946455133.db2.gz ZFDPJFOYPVWGSX-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC001573508313 946455139 /nfs/dbraw/zinc/45/51/39/946455139.db2.gz ZFDPJFOYPVWGSX-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM Cc1ccccc1OCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571310011 946459273 /nfs/dbraw/zinc/45/92/73/946459273.db2.gz RUPWSROEMYPFIY-KBPBESRZSA-N -1 1 392.423 0.834 20 0 GCADMM Cc1ccccc1OCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571310011 946459284 /nfs/dbraw/zinc/45/92/84/946459284.db2.gz RUPWSROEMYPFIY-KBPBESRZSA-N -1 1 392.423 0.834 20 0 GCADMM COc1ccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)cc1 ZINC001571309998 946459422 /nfs/dbraw/zinc/45/94/22/946459422.db2.gz RMSPTKLJXHFWNF-OKILXGFUSA-N -1 1 392.423 0.874 20 0 GCADMM COc1ccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)cc1 ZINC001571309998 946459428 /nfs/dbraw/zinc/45/94/28/946459428.db2.gz RMSPTKLJXHFWNF-OKILXGFUSA-N -1 1 392.423 0.874 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573509574 946464194 /nfs/dbraw/zinc/46/41/94/946464194.db2.gz OFLBNFAEPITZRB-CABZTGNLSA-N -1 1 392.489 0.949 20 0 GCADMM C[C@H]1Cc2cccc(C(=O)N[C@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)c2O1 ZINC001571310184 946464683 /nfs/dbraw/zinc/46/46/83/946464683.db2.gz XSTZEYUQKOEJEW-AAEUAGOBSA-N -1 1 392.423 0.989 20 0 GCADMM C[C@H]1Cc2cccc(C(=O)N[C@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)c2O1 ZINC001571310184 946464689 /nfs/dbraw/zinc/46/46/89/946464689.db2.gz XSTZEYUQKOEJEW-AAEUAGOBSA-N -1 1 392.423 0.989 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)CCO2 ZINC001571310212 946466579 /nfs/dbraw/zinc/46/65/79/946466579.db2.gz YMKFEBQNVFRXRO-CQSZACIVSA-N -1 1 392.423 0.990 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)CCO2 ZINC001571310212 946466587 /nfs/dbraw/zinc/46/65/87/946466587.db2.gz YMKFEBQNVFRXRO-CQSZACIVSA-N -1 1 392.423 0.990 20 0 GCADMM NC(=O)[C@H]1CCCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C1 ZINC001571310574 946476244 /nfs/dbraw/zinc/47/62/44/946476244.db2.gz JLJRWBGXSXDEMH-VIFPVBQESA-N -1 1 392.466 0.967 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001573510444 946477630 /nfs/dbraw/zinc/47/76/30/946477630.db2.gz HOVSSVQBZQUJQT-CYBMUJFWSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001573510444 946477636 /nfs/dbraw/zinc/47/76/36/946477636.db2.gz HOVSSVQBZQUJQT-CYBMUJFWSA-N -1 1 387.448 0.270 20 0 GCADMM CCOC(=O)[C@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC001571311008 946480659 /nfs/dbraw/zinc/48/06/59/946480659.db2.gz PQAYIDVAKHTLPJ-MRVPVSSYSA-N -1 1 392.441 0.960 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001573511337 946482782 /nfs/dbraw/zinc/48/27/82/946482782.db2.gz OIPKVRKGQTWECI-CYBMUJFWSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001573511337 946482786 /nfs/dbraw/zinc/48/27/86/946482786.db2.gz OIPKVRKGQTWECI-CYBMUJFWSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573511387 946484761 /nfs/dbraw/zinc/48/47/61/946484761.db2.gz PEHWPSAVJOXXAL-BXKDBHETSA-N -1 1 392.489 0.489 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccnc(C2CC2)n1 ZINC001571312446 946491075 /nfs/dbraw/zinc/49/10/75/946491075.db2.gz DDKVDGNSMSKAFX-UMSPYCQHSA-N -1 1 392.427 0.367 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571312427 946492009 /nfs/dbraw/zinc/49/20/09/946492009.db2.gz CPLSKAPOWWQDDJ-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571312427 946492016 /nfs/dbraw/zinc/49/20/16/946492016.db2.gz CPLSKAPOWWQDDJ-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571312458 946492227 /nfs/dbraw/zinc/49/22/27/946492227.db2.gz DNANPPJGDNVIOE-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571312458 946492230 /nfs/dbraw/zinc/49/22/30/946492230.db2.gz DNANPPJGDNVIOE-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)c(C)nn1 ZINC001571312462 946492348 /nfs/dbraw/zinc/49/23/48/946492348.db2.gz DOQWSBXVRXDMNQ-STQMWFEESA-N -1 1 392.427 0.421 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)c(C)nn1 ZINC001571312462 946492351 /nfs/dbraw/zinc/49/23/51/946492351.db2.gz DOQWSBXVRXDMNQ-STQMWFEESA-N -1 1 392.427 0.421 20 0 GCADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571312495 946493783 /nfs/dbraw/zinc/49/37/83/946493783.db2.gz FZRFBNFFDIJPIG-GXFFZTMASA-N -1 1 392.427 0.319 20 0 GCADMM Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)c1C1CC1 ZINC001571312553 946496089 /nfs/dbraw/zinc/49/60/89/946496089.db2.gz HHCGNAZOXAZPEG-ITGUQSILSA-N -1 1 392.427 0.132 20 0 GCADMM Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)c1C1CC1 ZINC001571312553 946496101 /nfs/dbraw/zinc/49/61/01/946496101.db2.gz HHCGNAZOXAZPEG-ITGUQSILSA-N -1 1 392.427 0.132 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)cn1 ZINC001571312588 946496817 /nfs/dbraw/zinc/49/68/17/946496817.db2.gz IAQUOJGJJIHYMZ-GOSISDBHSA-N -1 1 392.427 0.498 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)cn1 ZINC001571312588 946496824 /nfs/dbraw/zinc/49/68/24/946496824.db2.gz IAQUOJGJJIHYMZ-GOSISDBHSA-N -1 1 392.427 0.498 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccnc(C2CC2)n1 ZINC001571312767 946500414 /nfs/dbraw/zinc/50/04/14/946500414.db2.gz KCLVCOZVYZPMAP-GFCCVEGCSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccnc(C2CC2)n1 ZINC001571312767 946500428 /nfs/dbraw/zinc/50/04/28/946500428.db2.gz KCLVCOZVYZPMAP-GFCCVEGCSA-N -1 1 392.427 0.723 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2cnccn2)n1 ZINC001571313057 946509637 /nfs/dbraw/zinc/50/96/37/946509637.db2.gz MODIPSCOAYZNFH-HUUCEWRRSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2cnccn2)n1 ZINC001571313057 946509649 /nfs/dbraw/zinc/50/96/49/946509649.db2.gz MODIPSCOAYZNFH-HUUCEWRRSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1)c1ccnnc1 ZINC001571313148 946513450 /nfs/dbraw/zinc/51/34/50/946513450.db2.gz OXAROOVRKPOCSI-MELADBBJSA-N -1 1 392.427 0.482 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)ncn1 ZINC001571313387 946519758 /nfs/dbraw/zinc/51/97/58/946519758.db2.gz QKDMXKPECKSLFZ-XIKOKIGWSA-N -1 1 392.427 0.354 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)ncn1 ZINC001571313387 946519766 /nfs/dbraw/zinc/51/97/66/946519766.db2.gz QKDMXKPECKSLFZ-XIKOKIGWSA-N -1 1 392.427 0.354 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cncnc1C1CC1 ZINC001571313445 946522592 /nfs/dbraw/zinc/52/25/92/946522592.db2.gz RFOJKRGMUTYFID-NSHDSACASA-N -1 1 392.427 0.580 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cncnc1C1CC1 ZINC001571313445 946522607 /nfs/dbraw/zinc/52/26/07/946522607.db2.gz RFOJKRGMUTYFID-NSHDSACASA-N -1 1 392.427 0.580 20 0 GCADMM O=C(NC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1)c1ccnnc1 ZINC001571313631 946527579 /nfs/dbraw/zinc/52/75/79/946527579.db2.gz VBAAMEJZUWSGDY-UHFFFAOYSA-N -1 1 392.427 0.626 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cncnc1C1CC1 ZINC001571313930 946536624 /nfs/dbraw/zinc/53/66/24/946536624.db2.gz XQTWUAOYBGIQIT-KLPPZKSPSA-N -1 1 392.427 0.945 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cncnc1C1CC1 ZINC001571313930 946536631 /nfs/dbraw/zinc/53/66/31/946536631.db2.gz XQTWUAOYBGIQIT-KLPPZKSPSA-N -1 1 392.427 0.945 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)nn1 ZINC001571313920 946537728 /nfs/dbraw/zinc/53/77/28/946537728.db2.gz XMWCYPKTUDUTEZ-CHWSQXEVSA-N -1 1 392.427 0.330 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1n[nH]c2c1CCCC2 ZINC001571314007 946540846 /nfs/dbraw/zinc/54/08/46/946540846.db2.gz ZGVNREXYNAWJIO-YABSGUDNSA-N -1 1 392.427 0.123 20 0 GCADMM CC(=O)Nc1cccc(OCCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000824004896 946541699 /nfs/dbraw/zinc/54/16/99/946541699.db2.gz FJHOTEXZQVYKNK-UHFFFAOYSA-N -1 1 385.384 0.859 20 0 GCADMM CC(=O)Nc1cccc(OCCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000824004896 946541707 /nfs/dbraw/zinc/54/17/07/946541707.db2.gz 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ZINC001573517358 946569055 /nfs/dbraw/zinc/56/90/55/946569055.db2.gz IJIJIXXMEPKDSQ-QMMMGPOBSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573517884 946585582 /nfs/dbraw/zinc/58/55/82/946585582.db2.gz UBFZZAHNRAAJKH-UHFFFAOYSA-N -1 1 378.462 0.609 20 0 GCADMM CC(=O)NCC(=O)NCC1CC(Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573518096 946587845 /nfs/dbraw/zinc/58/78/45/946587845.db2.gz XJZQTIPSTKPPCO-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573520046 946590707 /nfs/dbraw/zinc/59/07/07/946590707.db2.gz AWXFUAWOZLLATN-JOCQHMNTSA-N -1 1 387.448 0.127 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573520046 946590714 /nfs/dbraw/zinc/59/07/14/946590714.db2.gz AWXFUAWOZLLATN-JOCQHMNTSA-N -1 1 387.448 0.127 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCOCC2)n1 ZINC000824147968 946601336 /nfs/dbraw/zinc/60/13/36/946601336.db2.gz 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GCADMM CC(=O)N[C@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573540436 946777102 /nfs/dbraw/zinc/77/71/02/946777102.db2.gz DTJKWDZWMNWMBE-GXFFZTMASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573540436 946777116 /nfs/dbraw/zinc/77/71/16/946777116.db2.gz DTJKWDZWMNWMBE-GXFFZTMASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573540566 946777856 /nfs/dbraw/zinc/77/78/56/946777856.db2.gz GCSIWEXDXNSKLJ-SMDDNHRTSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573540566 946777862 /nfs/dbraw/zinc/77/78/62/946777862.db2.gz GCSIWEXDXNSKLJ-SMDDNHRTSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573540594 946779105 /nfs/dbraw/zinc/77/91/05/946779105.db2.gz HECYXKRBAZIFQC-CYBMUJFWSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 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GCADMM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573541898 946789865 /nfs/dbraw/zinc/78/98/65/946789865.db2.gz XLEXGBSXMZYAIH-CYBMUJFWSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573542204 946793610 /nfs/dbraw/zinc/79/36/10/946793610.db2.gz AWYTZLQAHVYCQI-MRVPVSSYSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573542204 946793616 /nfs/dbraw/zinc/79/36/16/946793616.db2.gz AWYTZLQAHVYCQI-MRVPVSSYSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573542782 946799371 /nfs/dbraw/zinc/79/93/71/946799371.db2.gz PARQCXOZBRUVMW-UHFFFAOYSA-N -1 1 384.404 0.118 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573542782 946799379 /nfs/dbraw/zinc/79/93/79/946799379.db2.gz PARQCXOZBRUVMW-UHFFFAOYSA-N -1 1 384.404 0.118 20 0 GCADMM CC(=O)Nc1cc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001573542681 946800865 /nfs/dbraw/zinc/80/08/65/946800865.db2.gz KXDUQBDOMXAQPP-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001573542681 946800880 /nfs/dbraw/zinc/80/08/80/946800880.db2.gz KXDUQBDOMXAQPP-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001573542985 946803930 /nfs/dbraw/zinc/80/39/30/946803930.db2.gz SEUXHKMYHLWEMW-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001573542985 946803945 /nfs/dbraw/zinc/80/39/45/946803945.db2.gz SEUXHKMYHLWEMW-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573542957 946804316 /nfs/dbraw/zinc/80/43/16/946804316.db2.gz RLTFZMJUBZJXDK-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573542957 946804320 /nfs/dbraw/zinc/80/43/20/946804320.db2.gz 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CC(=O)Nc1cccc(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)c1C ZINC001573546657 946814467 /nfs/dbraw/zinc/81/44/67/946814467.db2.gz KGZSNCHLDBUCCV-UHFFFAOYSA-N -1 1 381.400 0.765 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001573547040 946825322 /nfs/dbraw/zinc/82/53/22/946825322.db2.gz UZIHGTPLYHIVDS-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001573547040 946825330 /nfs/dbraw/zinc/82/53/30/946825330.db2.gz UZIHGTPLYHIVDS-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001573547271 946829186 /nfs/dbraw/zinc/82/91/86/946829186.db2.gz HBESLRCKJIJFDO-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001573547271 946829200 /nfs/dbraw/zinc/82/92/00/946829200.db2.gz HBESLRCKJIJFDO-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C)c(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001573547282 946833040 /nfs/dbraw/zinc/83/30/40/946833040.db2.gz IFGPCBSEUVFOKF-UHFFFAOYSA-N -1 1 384.356 0.035 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)nc1 ZINC001573547948 946843279 /nfs/dbraw/zinc/84/32/79/946843279.db2.gz YYYQXKVOFGKXBB-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)nc1 ZINC001573547948 946843286 /nfs/dbraw/zinc/84/32/86/946843286.db2.gz YYYQXKVOFGKXBB-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573548786 946859030 /nfs/dbraw/zinc/85/90/30/946859030.db2.gz VIEUCWCULFKGRL-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573548786 946859040 /nfs/dbraw/zinc/85/90/40/946859040.db2.gz VIEUCWCULFKGRL-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001573548952 946862891 /nfs/dbraw/zinc/86/28/91/946862891.db2.gz YARTXNZYOQSWSM-ZETCQYMHSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001573548952 946862903 /nfs/dbraw/zinc/86/29/03/946862903.db2.gz YARTXNZYOQSWSM-ZETCQYMHSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)C1(C)C ZINC001573551887 946874576 /nfs/dbraw/zinc/87/45/76/946874576.db2.gz LLZKRYSYZDJUEZ-WDEREUQCSA-N -1 1 388.432 0.616 20 0 GCADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)C1(C)C ZINC001573551887 946874585 /nfs/dbraw/zinc/87/45/85/946874585.db2.gz LLZKRYSYZDJUEZ-WDEREUQCSA-N -1 1 388.432 0.616 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC000824999119 947033023 /nfs/dbraw/zinc/03/30/23/947033023.db2.gz CMFIXZXZQUWPID-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC000824999119 947033034 /nfs/dbraw/zinc/03/30/34/947033034.db2.gz CMFIXZXZQUWPID-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCCOCC1 ZINC000825000801 947034896 /nfs/dbraw/zinc/03/48/96/947034896.db2.gz VINZIYRHJBWTHU-OLZOCXBDSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCCOCC1 ZINC000825000801 947034910 /nfs/dbraw/zinc/03/49/10/947034910.db2.gz VINZIYRHJBWTHU-OLZOCXBDSA-N -1 1 387.448 0.446 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)[C@@H](CC)CN1C(C)=O ZINC000825206076 947117767 /nfs/dbraw/zinc/11/77/67/947117767.db2.gz YWRWXAVRAOSSOO-STQMWFEESA-N -1 1 375.433 0.954 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)[C@@H](CC)CN1C(C)=O ZINC000825206076 947117773 /nfs/dbraw/zinc/11/77/73/947117773.db2.gz YWRWXAVRAOSSOO-STQMWFEESA-N -1 1 375.433 0.954 20 0 GCADMM CCCCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000825281388 947140387 /nfs/dbraw/zinc/14/03/87/947140387.db2.gz CIEDQDZETGJULZ-LLVKDONJSA-N -1 1 382.446 0.521 20 0 GCADMM CCCCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000825281388 947140390 /nfs/dbraw/zinc/14/03/90/947140390.db2.gz CIEDQDZETGJULZ-LLVKDONJSA-N -1 1 382.446 0.521 20 0 GCADMM CCCCNC(=O)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825284871 947144623 /nfs/dbraw/zinc/14/46/23/947144623.db2.gz BCMMPVZTGSPPGS-GFCCVEGCSA-N -1 1 375.433 0.861 20 0 GCADMM CCCCNC(=O)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825284871 947144628 /nfs/dbraw/zinc/14/46/28/947144628.db2.gz BCMMPVZTGSPPGS-GFCCVEGCSA-N -1 1 375.433 0.861 20 0 GCADMM CCOC(=O)[C@@H](CO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825494333 947206028 /nfs/dbraw/zinc/20/60/28/947206028.db2.gz WNFRFSJHPHHXAX-LLVKDONJSA-N -1 1 392.441 0.515 20 0 GCADMM CCOC(=O)c1cnn(Cc2nc3ccccc3c(=O)n2C)c1-c1nn[n-]n1 ZINC000825570340 947231523 /nfs/dbraw/zinc/23/15/23/947231523.db2.gz IJVNUTRBSHSRKD-UHFFFAOYSA-N -1 1 380.368 0.535 20 0 GCADMM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573591499 947313546 /nfs/dbraw/zinc/31/35/46/947313546.db2.gz BXZINDIDAHLNFX-GXFFZTMASA-N -1 1 389.485 0.486 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573591710 947315425 /nfs/dbraw/zinc/31/54/25/947315425.db2.gz DMSUHLOKKGKZOH-RKDXNWHRSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573591710 947315438 /nfs/dbraw/zinc/31/54/38/947315438.db2.gz DMSUHLOKKGKZOH-RKDXNWHRSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573591759 947319429 /nfs/dbraw/zinc/31/94/29/947319429.db2.gz FGXVPIQYWNTREX-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573591759 947319444 /nfs/dbraw/zinc/31/94/44/947319444.db2.gz FGXVPIQYWNTREX-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])n(C)c1 ZINC000825875209 947352417 /nfs/dbraw/zinc/35/24/17/947352417.db2.gz FJNDDJWSNZOQBF-UHFFFAOYSA-N -1 1 391.413 0.413 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cn(C)nc1C(F)(F)F ZINC000825933929 947373605 /nfs/dbraw/zinc/37/36/05/947373605.db2.gz IVBWKMSGNHUBTD-UHFFFAOYSA-N -1 1 398.353 0.629 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cn(C)nc1C(F)(F)F ZINC000825933929 947373614 /nfs/dbraw/zinc/37/36/14/947373614.db2.gz IVBWKMSGNHUBTD-UHFFFAOYSA-N -1 1 398.353 0.629 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000825933419 947375727 /nfs/dbraw/zinc/37/57/27/947375727.db2.gz DHFZYGBBWXFDHU-UHFFFAOYSA-N -1 1 396.415 0.469 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000825933419 947375736 /nfs/dbraw/zinc/37/57/36/947375736.db2.gz DHFZYGBBWXFDHU-UHFFFAOYSA-N -1 1 396.415 0.469 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573593968 947382599 /nfs/dbraw/zinc/38/25/99/947382599.db2.gz WFNHUIMSZQWBFY-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573593968 947382611 /nfs/dbraw/zinc/38/26/11/947382611.db2.gz WFNHUIMSZQWBFY-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573594370 947391051 /nfs/dbraw/zinc/39/10/51/947391051.db2.gz AJEQKJSSWNNSBL-JQWIXIFHSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573594370 947391061 /nfs/dbraw/zinc/39/10/61/947391061.db2.gz AJEQKJSSWNNSBL-JQWIXIFHSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573594379 947393151 /nfs/dbraw/zinc/39/31/51/947393151.db2.gz YMIJITJYIKALFF-DOMZBBRYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573594379 947393164 /nfs/dbraw/zinc/39/31/64/947393164.db2.gz YMIJITJYIKALFF-DOMZBBRYSA-N -1 1 386.460 0.899 20 0 GCADMM COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc2ccccc2c1 ZINC000826104294 947430199 /nfs/dbraw/zinc/43/01/99/947430199.db2.gz UCCCAVWNYMEUKO-HNNXBMFYSA-N -1 1 392.379 0.642 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573597337 947437229 /nfs/dbraw/zinc/43/72/29/947437229.db2.gz NOIOBSUGTBFHIE-WDEREUQCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573597337 947437232 /nfs/dbraw/zinc/43/72/32/947437232.db2.gz NOIOBSUGTBFHIE-WDEREUQCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573599614 947457462 /nfs/dbraw/zinc/45/74/62/947457462.db2.gz YSZWPCGNOBJYPJ-DTWKUNHWSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573599614 947457469 /nfs/dbraw/zinc/45/74/69/947457469.db2.gz YSZWPCGNOBJYPJ-DTWKUNHWSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)N(C)CC(F)(F)F ZINC001573603183 947479993 /nfs/dbraw/zinc/47/99/93/947479993.db2.gz DDKVZMKTGQEGBG-VIFPVBQESA-N -1 1 387.370 0.410 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573603183 947480003 /nfs/dbraw/zinc/48/00/03/947480003.db2.gz DDKVZMKTGQEGBG-VIFPVBQESA-N -1 1 387.370 0.410 20 0 GCADMM C[C@H](C(=O)N(C)CCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573603316 947481355 /nfs/dbraw/zinc/48/13/55/947481355.db2.gz JZXPSKBRSDQNLX-ZDUSSCGKSA-N -1 1 385.476 0.283 20 0 GCADMM COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826154862 947488540 /nfs/dbraw/zinc/48/85/40/947488540.db2.gz ZEKYTHLZWLCZCA-NSHDSACASA-N -1 1 378.414 0.781 20 0 GCADMM COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826154862 947488553 /nfs/dbraw/zinc/48/85/53/947488553.db2.gz ZEKYTHLZWLCZCA-NSHDSACASA-N -1 1 378.414 0.781 20 0 GCADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826160473 947502378 /nfs/dbraw/zinc/50/23/78/947502378.db2.gz SXSBYDPFPARPCL-PWSUYJOCSA-N -1 1 391.432 0.095 20 0 GCADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826160473 947502388 /nfs/dbraw/zinc/50/23/88/947502388.db2.gz SXSBYDPFPARPCL-PWSUYJOCSA-N -1 1 391.432 0.095 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)N(C)CC(F)(F)F ZINC001573605042 947523975 /nfs/dbraw/zinc/52/39/75/947523975.db2.gz TWEQXKLHHSOHAU-SECBINFHSA-N -1 1 387.370 0.410 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)N(C)CC(F)(F)F ZINC001573605042 947523979 /nfs/dbraw/zinc/52/39/79/947523979.db2.gz TWEQXKLHHSOHAU-SECBINFHSA-N -1 1 387.370 0.410 20 0 GCADMM C[C@@H](C(=O)N(C)CCOCCNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573605332 947528785 /nfs/dbraw/zinc/52/87/85/947528785.db2.gz WBZQFBIIELSSGM-VIFPVBQESA-N -1 1 388.354 0.742 20 0 GCADMM C[C@@H](C(=O)N(C)CCOCCNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573605332 947528794 /nfs/dbraw/zinc/52/87/94/947528794.db2.gz WBZQFBIIELSSGM-VIFPVBQESA-N -1 1 388.354 0.742 20 0 GCADMM C[C@H](C(=O)N(C)CCOCCNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573605331 947529435 /nfs/dbraw/zinc/52/94/35/947529435.db2.gz WBZQFBIIELSSGM-SECBINFHSA-N -1 1 388.354 0.742 20 0 GCADMM C[C@H](C(=O)N(C)CCOCCNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573605331 947529446 /nfs/dbraw/zinc/52/94/46/947529446.db2.gz WBZQFBIIELSSGM-SECBINFHSA-N -1 1 388.354 0.742 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)n1cncn1 ZINC001573613567 947564923 /nfs/dbraw/zinc/56/49/23/947564923.db2.gz COMDYLIWQNQHSC-ZYHUDNBSSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cncn1 ZINC001573613567 947564931 /nfs/dbraw/zinc/56/49/31/947564931.db2.gz COMDYLIWQNQHSC-ZYHUDNBSSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cccn1 ZINC001573613745 947569122 /nfs/dbraw/zinc/56/91/22/947569122.db2.gz HTIBKQUOSJCUHQ-NEPJUHHUSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cccn1 ZINC001573613745 947569134 /nfs/dbraw/zinc/56/91/34/947569134.db2.gz HTIBKQUOSJCUHQ-NEPJUHHUSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573613883 947572949 /nfs/dbraw/zinc/57/29/49/947572949.db2.gz BBZLOKVYLIKPDM-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573613883 947572956 /nfs/dbraw/zinc/57/29/56/947572956.db2.gz BBZLOKVYLIKPDM-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573614421 947586402 /nfs/dbraw/zinc/58/64/02/947586402.db2.gz FDGKJXPMBLUIMT-LLVKDONJSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573614421 947586406 /nfs/dbraw/zinc/58/64/06/947586406.db2.gz FDGKJXPMBLUIMT-LLVKDONJSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573614623 947587910 /nfs/dbraw/zinc/58/79/10/947587910.db2.gz NRJHVZJIRYIDRF-SJKOYZFVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573614623 947587920 /nfs/dbraw/zinc/58/79/20/947587920.db2.gz NRJHVZJIRYIDRF-SJKOYZFVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001573614751 947589462 /nfs/dbraw/zinc/58/94/62/947589462.db2.gz OVCSTTMGUHKGNV-GUIRCDHDSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573614751 947589471 /nfs/dbraw/zinc/58/94/71/947589471.db2.gz OVCSTTMGUHKGNV-GUIRCDHDSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)n1cccn1 ZINC001573614738 947590044 /nfs/dbraw/zinc/59/00/44/947590044.db2.gz OQOLSDYXOOTTTQ-DGCLKSJQSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cccn1 ZINC001573614738 947590050 /nfs/dbraw/zinc/59/00/50/947590050.db2.gz OQOLSDYXOOTTTQ-DGCLKSJQSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573615066 947598345 /nfs/dbraw/zinc/59/83/45/947598345.db2.gz PYXZPKNGQJALNQ-UPJWGTAASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573615675 947609384 /nfs/dbraw/zinc/60/93/84/947609384.db2.gz JRIHPNRSXLWFPG-OLZOCXBDSA-N -1 1 379.428 0.538 20 0 GCADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OCC(N)=O ZINC000826209907 947613021 /nfs/dbraw/zinc/61/30/21/947613021.db2.gz WDFLBQHFPWJZMX-UHFFFAOYSA-N -1 1 387.356 0.217 20 0 GCADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OCC(N)=O ZINC000826209907 947613026 /nfs/dbraw/zinc/61/30/26/947613026.db2.gz WDFLBQHFPWJZMX-UHFFFAOYSA-N -1 1 387.356 0.217 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573352166 947628295 /nfs/dbraw/zinc/62/82/95/947628295.db2.gz XALVPPFCSKNOMZ-AWEZNQCLSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573352166 947628302 /nfs/dbraw/zinc/62/83/02/947628302.db2.gz XALVPPFCSKNOMZ-AWEZNQCLSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573354328 947630202 /nfs/dbraw/zinc/63/02/02/947630202.db2.gz ADMBSWZMQTUKGF-AWEZNQCLSA-N -1 1 380.412 0.811 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573354328 947630211 /nfs/dbraw/zinc/63/02/11/947630211.db2.gz ADMBSWZMQTUKGF-AWEZNQCLSA-N -1 1 380.412 0.811 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573616974 947632749 /nfs/dbraw/zinc/63/27/49/947632749.db2.gz KJWGPZBUYIIXHJ-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573616974 947632755 /nfs/dbraw/zinc/63/27/55/947632755.db2.gz KJWGPZBUYIIXHJ-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573617342 947634174 /nfs/dbraw/zinc/63/41/74/947634174.db2.gz LFHYQCZUHMWNNC-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573617342 947634183 /nfs/dbraw/zinc/63/41/83/947634183.db2.gz LFHYQCZUHMWNNC-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573617920 947643805 /nfs/dbraw/zinc/64/38/05/947643805.db2.gz QQVSLOFYTOFGRH-MEDUHNTESA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573617920 947643807 /nfs/dbraw/zinc/64/38/07/947643807.db2.gz QQVSLOFYTOFGRH-MEDUHNTESA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573617993 947646233 /nfs/dbraw/zinc/64/62/33/947646233.db2.gz OHCPWISBQGVHGC-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573617993 947646236 /nfs/dbraw/zinc/64/62/36/947646236.db2.gz OHCPWISBQGVHGC-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573618905 947658242 /nfs/dbraw/zinc/65/82/42/947658242.db2.gz SVRSVNHNUUINAM-QWHCGFSZSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573618905 947658243 /nfs/dbraw/zinc/65/82/43/947658243.db2.gz SVRSVNHNUUINAM-QWHCGFSZSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573627087 947716081 /nfs/dbraw/zinc/71/60/81/947716081.db2.gz YMTAAHIZZMFHTE-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573627087 947716090 /nfs/dbraw/zinc/71/60/90/947716090.db2.gz YMTAAHIZZMFHTE-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001573627144 947718871 /nfs/dbraw/zinc/71/88/71/947718871.db2.gz ZJHIKCGQCZULEH-LLVKDONJSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001573627144 947718875 /nfs/dbraw/zinc/71/88/75/947718875.db2.gz ZJHIKCGQCZULEH-LLVKDONJSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573627439 947723538 /nfs/dbraw/zinc/72/35/38/947723538.db2.gz BKRGGONEQLSPNS-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573627439 947723546 /nfs/dbraw/zinc/72/35/46/947723546.db2.gz BKRGGONEQLSPNS-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573627436 947724416 /nfs/dbraw/zinc/72/44/16/947724416.db2.gz BKRGGONEQLSPNS-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573627436 947724427 /nfs/dbraw/zinc/72/44/27/947724427.db2.gz BKRGGONEQLSPNS-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573627437 947724896 /nfs/dbraw/zinc/72/48/96/947724896.db2.gz BKRGGONEQLSPNS-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573627437 947724905 /nfs/dbraw/zinc/72/49/05/947724905.db2.gz BKRGGONEQLSPNS-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573628109 947746763 /nfs/dbraw/zinc/74/67/63/947746763.db2.gz ISNUWCMMDGOKRB-UONOGXRCSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573628210 947748619 /nfs/dbraw/zinc/74/86/19/947748619.db2.gz GKQTYHUOSAHBIB-KPZWWZAWSA-N -1 1 388.476 0.526 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573629256 947775509 /nfs/dbraw/zinc/77/55/09/947775509.db2.gz NAWDCTXIWIWBEW-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573629256 947775517 /nfs/dbraw/zinc/77/55/17/947775517.db2.gz NAWDCTXIWIWBEW-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM CC(=O)CCCC(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573373329 947791374 /nfs/dbraw/zinc/79/13/74/947791374.db2.gz HYWKOPIEWLPVKM-UHFFFAOYSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573373329 947791378 /nfs/dbraw/zinc/79/13/78/947791378.db2.gz HYWKOPIEWLPVKM-UHFFFAOYSA-N -1 1 388.432 0.181 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573631106 947796863 /nfs/dbraw/zinc/79/68/63/947796863.db2.gz SWDWRMWKEOKACI-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573631106 947796870 /nfs/dbraw/zinc/79/68/70/947796870.db2.gz SWDWRMWKEOKACI-YPMHNXCESA-N -1 1 382.432 0.597 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573374007 947802639 /nfs/dbraw/zinc/80/26/39/947802639.db2.gz LUYBPLBQQBFURX-GOSISDBHSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573374007 947802645 /nfs/dbraw/zinc/80/26/45/947802645.db2.gz LUYBPLBQQBFURX-GOSISDBHSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573374510 947809752 /nfs/dbraw/zinc/80/97/52/947809752.db2.gz NMTOFERYUHNSCG-UONOGXRCSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573374510 947809767 /nfs/dbraw/zinc/80/97/67/947809767.db2.gz NMTOFERYUHNSCG-UONOGXRCSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573375845 947826051 /nfs/dbraw/zinc/82/60/51/947826051.db2.gz QPFDAWFPRGZXHL-OLZOCXBDSA-N -1 1 384.444 0.677 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573638183 947835286 /nfs/dbraw/zinc/83/52/86/947835286.db2.gz ILRATLLCMLZNKD-MNOVXSKESA-N -1 1 391.436 0.535 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573639752 947848541 /nfs/dbraw/zinc/84/85/41/947848541.db2.gz CHYVJWBUSFUIRH-BDAKNGLRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573639752 947848553 /nfs/dbraw/zinc/84/85/53/947848553.db2.gz CHYVJWBUSFUIRH-BDAKNGLRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573641835 947858308 /nfs/dbraw/zinc/85/83/08/947858308.db2.gz NXEBULPGMKKNBT-JSGCOSHPSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573643546 947865013 /nfs/dbraw/zinc/86/50/13/947865013.db2.gz UWDBAJLBNAAWTK-VXGBXAGGSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573643546 947865023 /nfs/dbraw/zinc/86/50/23/947865023.db2.gz UWDBAJLBNAAWTK-VXGBXAGGSA-N -1 1 384.400 0.693 20 0 GCADMM CC(=O)CCCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573380858 947865360 /nfs/dbraw/zinc/86/53/60/947865360.db2.gz ILVTWSZRNRQBTL-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM CC(=O)CCCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573380858 947865365 /nfs/dbraw/zinc/86/53/65/947865365.db2.gz ILVTWSZRNRQBTL-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573643732 947867280 /nfs/dbraw/zinc/86/72/80/947867280.db2.gz XBRJZDGCLYBOBW-UWVGGRQHSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573643732 947867284 /nfs/dbraw/zinc/86/72/84/947867284.db2.gz XBRJZDGCLYBOBW-UWVGGRQHSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccc1 ZINC001573646178 947871368 /nfs/dbraw/zinc/87/13/68/947871368.db2.gz GCRNWBFALZXCLC-KCQAQPDRSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccc1 ZINC001573646178 947871372 /nfs/dbraw/zinc/87/13/72/947871372.db2.gz GCRNWBFALZXCLC-KCQAQPDRSA-N -1 1 379.428 0.757 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573381372 947872773 /nfs/dbraw/zinc/87/27/73/947872773.db2.gz UJRDGHKHANVZFK-QMMMGPOBSA-N -1 1 387.853 0.625 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573381372 947872776 /nfs/dbraw/zinc/87/27/76/947872776.db2.gz UJRDGHKHANVZFK-QMMMGPOBSA-N -1 1 387.853 0.625 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(F)F ZINC001573646194 947872975 /nfs/dbraw/zinc/87/29/75/947872975.db2.gz GONYGMZIOSNXOH-GARJFASQSA-N -1 1 378.387 0.985 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1cccnc1 ZINC001573647032 947881878 /nfs/dbraw/zinc/88/18/78/947881878.db2.gz APUBSZNZUDXVBG-YUELXQCFSA-N -1 1 391.439 0.750 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1cccnc1 ZINC001573647032 947881889 /nfs/dbraw/zinc/88/18/89/947881889.db2.gz APUBSZNZUDXVBG-YUELXQCFSA-N -1 1 391.439 0.750 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C(C)(F)F ZINC001573647229 947887952 /nfs/dbraw/zinc/88/79/52/947887952.db2.gz FNAAMDLQMBMYRK-MXWKQRLJSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C(C)(F)F ZINC001573647229 947887958 /nfs/dbraw/zinc/88/79/58/947887958.db2.gz FNAAMDLQMBMYRK-MXWKQRLJSA-N -1 1 378.387 0.843 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001573382869 947888604 /nfs/dbraw/zinc/88/86/04/947888604.db2.gz LSTMAOHNVBTOAO-CYBMUJFWSA-N -1 1 388.432 0.046 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001573382869 947888611 /nfs/dbraw/zinc/88/86/11/947888611.db2.gz LSTMAOHNVBTOAO-CYBMUJFWSA-N -1 1 388.432 0.046 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647284 947889684 /nfs/dbraw/zinc/88/96/84/947889684.db2.gz GZRYKWCYWWIXAF-RMRHIDDWSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647284 947889692 /nfs/dbraw/zinc/88/96/92/947889692.db2.gz GZRYKWCYWWIXAF-RMRHIDDWSA-N -1 1 384.444 0.366 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001573383446 947890895 /nfs/dbraw/zinc/89/08/95/947890895.db2.gz QTYUUBPWFPIYHM-ZDUSSCGKSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001573383446 947890899 /nfs/dbraw/zinc/89/08/99/947890899.db2.gz QTYUUBPWFPIYHM-ZDUSSCGKSA-N -1 1 388.432 0.128 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)n1cccn1 ZINC001573647366 947892526 /nfs/dbraw/zinc/89/25/26/947892526.db2.gz IYGGBUMXLUYKJG-FRRDWIJNSA-N -1 1 382.432 0.621 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)n1cccn1 ZINC001573647366 947892536 /nfs/dbraw/zinc/89/25/36/947892536.db2.gz IYGGBUMXLUYKJG-FRRDWIJNSA-N -1 1 382.432 0.621 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001573384472 947904044 /nfs/dbraw/zinc/90/40/44/947904044.db2.gz OHSAMXPRQDIHRK-YABSGUDNSA-N -1 1 375.458 0.942 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cccc1 ZINC001573647934 947904537 /nfs/dbraw/zinc/90/45/37/947904537.db2.gz VSOVJBMNZQPZPN-MCIONIFRSA-N -1 1 379.428 0.614 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cccc1 ZINC001573647934 947904546 /nfs/dbraw/zinc/90/45/46/947904546.db2.gz VSOVJBMNZQPZPN-MCIONIFRSA-N -1 1 379.428 0.614 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573388700 947920660 /nfs/dbraw/zinc/92/06/60/947920660.db2.gz NVLDQJGXTCQJDH-UHFFFAOYSA-N -1 1 375.437 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573388700 947920668 /nfs/dbraw/zinc/92/06/68/947920668.db2.gz NVLDQJGXTCQJDH-UHFFFAOYSA-N -1 1 375.437 0.032 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cncn1 ZINC001573652688 947944153 /nfs/dbraw/zinc/94/41/53/947944153.db2.gz GMLUBIIYGJJOOC-HWPZZCPQSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cncn1 ZINC001573652688 947944158 /nfs/dbraw/zinc/94/41/58/947944158.db2.gz GMLUBIIYGJJOOC-HWPZZCPQSA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573392176 947944865 /nfs/dbraw/zinc/94/48/65/947944865.db2.gz UVMJKSPCUBMRTE-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573392176 947944871 /nfs/dbraw/zinc/94/48/71/947944871.db2.gz UVMJKSPCUBMRTE-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573392884 947952218 /nfs/dbraw/zinc/95/22/18/947952218.db2.gz HKWPWDHRJMYYQF-FZMZJTMJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573392884 947952222 /nfs/dbraw/zinc/95/22/22/947952222.db2.gz HKWPWDHRJMYYQF-FZMZJTMJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573392845 947953279 /nfs/dbraw/zinc/95/32/79/947953279.db2.gz GJXDJJQYMWRKEF-RISCZKNCSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573392845 947953283 /nfs/dbraw/zinc/95/32/83/947953283.db2.gz GJXDJJQYMWRKEF-RISCZKNCSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cnn(C)c1 ZINC001573653292 947955756 /nfs/dbraw/zinc/95/57/56/947955756.db2.gz KKHFYQVCNUPKDF-HZMBPMFUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cnn(C)c1 ZINC001573653292 947955759 /nfs/dbraw/zinc/95/57/59/947955759.db2.gz KKHFYQVCNUPKDF-HZMBPMFUSA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393558 947958415 /nfs/dbraw/zinc/95/84/15/947958415.db2.gz NIDPRBWKLFICOV-LLVKDONJSA-N -1 1 378.462 0.370 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393740 947960426 /nfs/dbraw/zinc/96/04/26/947960426.db2.gz PMUFDVARYPVZII-LBPRGKRZSA-N -1 1 392.489 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393955 947960590 /nfs/dbraw/zinc/96/05/90/947960590.db2.gz RGEFGCMXYWOTHL-CABZTGNLSA-N -1 1 392.489 0.759 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cncn1 ZINC001573653968 947960922 /nfs/dbraw/zinc/96/09/22/947960922.db2.gz OWLFWDOCJHJTOJ-PWSUYJOCSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cncn1 ZINC001573653968 947960929 /nfs/dbraw/zinc/96/09/29/947960929.db2.gz OWLFWDOCJHJTOJ-PWSUYJOCSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cncn1 ZINC001573653967 947962091 /nfs/dbraw/zinc/96/20/91/947962091.db2.gz OWLFWDOCJHJTOJ-JQWIXIFHSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cncn1 ZINC001573653967 947962098 /nfs/dbraw/zinc/96/20/98/947962098.db2.gz OWLFWDOCJHJTOJ-JQWIXIFHSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573653923 947962354 /nfs/dbraw/zinc/96/23/54/947962354.db2.gz OAHPPBWMYWPQOI-QLJPJBMISA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573653923 947962363 /nfs/dbraw/zinc/96/23/63/947962363.db2.gz OAHPPBWMYWPQOI-QLJPJBMISA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573394066 947962498 /nfs/dbraw/zinc/96/24/98/947962498.db2.gz SIONIHBYBJECST-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573394066 947962502 /nfs/dbraw/zinc/96/25/02/947962502.db2.gz SIONIHBYBJECST-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573394401 947964360 /nfs/dbraw/zinc/96/43/60/947964360.db2.gz SXTFNBKGUGMQEU-KOLCDFICSA-N -1 1 378.462 0.511 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573397794 947973873 /nfs/dbraw/zinc/97/38/73/947973873.db2.gz DGPDCMMENGTWQU-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573397794 947973884 /nfs/dbraw/zinc/97/38/84/947973884.db2.gz DGPDCMMENGTWQU-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573397799 947975198 /nfs/dbraw/zinc/97/51/98/947975198.db2.gz DHYUGUAJHNVRDO-UWVGGRQHSA-N -1 1 375.437 0.139 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573397799 947975203 /nfs/dbraw/zinc/97/52/03/947975203.db2.gz DHYUGUAJHNVRDO-UWVGGRQHSA-N -1 1 375.437 0.139 20 0 GCADMM Cc1nsc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)n1 ZINC000826340145 947977834 /nfs/dbraw/zinc/97/78/34/947977834.db2.gz JMYMBOXNFDAGKY-UHFFFAOYSA-N -1 1 375.418 0.214 20 0 GCADMM Cc1nsc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)n1 ZINC000826340145 947977841 /nfs/dbraw/zinc/97/78/41/947977841.db2.gz JMYMBOXNFDAGKY-UHFFFAOYSA-N -1 1 375.418 0.214 20 0 GCADMM Cc1onc(CC(=O)N(C)CC(=O)NCc2cccs2)c1-c1nnn[n-]1 ZINC000826342825 947983528 /nfs/dbraw/zinc/98/35/28/947983528.db2.gz BDKMBYFLHXZCRY-UHFFFAOYSA-N -1 1 375.414 0.542 20 0 GCADMM Cc1onc(CC(=O)N(C)CC(=O)NCc2cccs2)c1-c1nn[n-]n1 ZINC000826342825 947983533 /nfs/dbraw/zinc/98/35/33/947983533.db2.gz BDKMBYFLHXZCRY-UHFFFAOYSA-N -1 1 375.414 0.542 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@](C)(CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573398762 947985914 /nfs/dbraw/zinc/98/59/14/947985914.db2.gz PANBXXSBZADEKE-QGZVFWFLSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@](C)(CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573398762 947985920 /nfs/dbraw/zinc/98/59/20/947985920.db2.gz PANBXXSBZADEKE-QGZVFWFLSA-N -1 1 387.448 0.140 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573656582 947993322 /nfs/dbraw/zinc/99/33/22/947993322.db2.gz HTSSOMDFGQOPJB-KPZWWZAWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573656582 947993327 /nfs/dbraw/zinc/99/33/27/947993327.db2.gz HTSSOMDFGQOPJB-KPZWWZAWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573657113 947997144 /nfs/dbraw/zinc/99/71/44/947997144.db2.gz KUJIYSAZRDRBOJ-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573657113 947997150 /nfs/dbraw/zinc/99/71/50/947997150.db2.gz KUJIYSAZRDRBOJ-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573657353 947998600 /nfs/dbraw/zinc/99/86/00/947998600.db2.gz MJUWUAREIIRGDB-DIFFPNOSSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573657353 947998605 /nfs/dbraw/zinc/99/86/05/947998605.db2.gz MJUWUAREIIRGDB-DIFFPNOSSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573657390 948000023 /nfs/dbraw/zinc/00/00/23/948000023.db2.gz NKXVBFNTJONSTA-SGTLLEGYSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573657390 948000034 /nfs/dbraw/zinc/00/00/34/948000034.db2.gz NKXVBFNTJONSTA-SGTLLEGYSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573401903 948000635 /nfs/dbraw/zinc/00/06/35/948000635.db2.gz FIGHFGIKXXKQPE-CHWSQXEVSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573401903 948000645 /nfs/dbraw/zinc/00/06/45/948000645.db2.gz FIGHFGIKXXKQPE-CHWSQXEVSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573401867 948000911 /nfs/dbraw/zinc/00/09/11/948000911.db2.gz DVVHOIKEYFJERR-SSDOTTSWSA-N -1 1 386.869 0.619 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573401867 948000921 /nfs/dbraw/zinc/00/09/21/948000921.db2.gz DVVHOIKEYFJERR-SSDOTTSWSA-N -1 1 386.869 0.619 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573402370 948002442 /nfs/dbraw/zinc/00/24/42/948002442.db2.gz GDRNUSQJGGNSPH-JOYOIKCWSA-N -1 1 392.489 0.583 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573657683 948003387 /nfs/dbraw/zinc/00/33/87/948003387.db2.gz ONQBLKQCOHQXDZ-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573657683 948003391 /nfs/dbraw/zinc/00/33/91/948003391.db2.gz ONQBLKQCOHQXDZ-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573657916 948005133 /nfs/dbraw/zinc/00/51/33/948005133.db2.gz PVQQOWDYMHHHCK-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573657916 948005140 /nfs/dbraw/zinc/00/51/40/948005140.db2.gz PVQQOWDYMHHHCK-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573658643 948010153 /nfs/dbraw/zinc/01/01/53/948010153.db2.gz SPIKWNWABKIQMD-GTNSWQLSSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573658643 948010160 /nfs/dbraw/zinc/01/01/60/948010160.db2.gz SPIKWNWABKIQMD-GTNSWQLSSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573658974 948011011 /nfs/dbraw/zinc/01/10/11/948011011.db2.gz UIMRGUPIAAHIDE-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573658974 948011019 /nfs/dbraw/zinc/01/10/19/948011019.db2.gz UIMRGUPIAAHIDE-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)OCC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826344926 948016534 /nfs/dbraw/zinc/01/65/34/948016534.db2.gz WROGACFEEUJLJS-UHFFFAOYSA-N -1 1 377.405 0.642 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)OCC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826344926 948016539 /nfs/dbraw/zinc/01/65/39/948016539.db2.gz WROGACFEEUJLJS-UHFFFAOYSA-N -1 1 377.405 0.642 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3cccn3C)CC2)c1-c1nnn[n-]1 ZINC000826345022 948016574 /nfs/dbraw/zinc/01/65/74/948016574.db2.gz ZLXYHBCIUSYVMB-UHFFFAOYSA-N -1 1 384.400 0.029 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3cccn3C)CC2)c1-c1nn[n-]n1 ZINC000826345022 948016582 /nfs/dbraw/zinc/01/65/82/948016582.db2.gz ZLXYHBCIUSYVMB-UHFFFAOYSA-N -1 1 384.400 0.029 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573404163 948017641 /nfs/dbraw/zinc/01/76/41/948017641.db2.gz QWLPESKSYUDZJQ-GFCCVEGCSA-N -1 1 392.489 0.585 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573404223 948018483 /nfs/dbraw/zinc/01/84/83/948018483.db2.gz AOJDMYFSFWEECV-ZETCQYMHSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573404223 948018489 /nfs/dbraw/zinc/01/84/89/948018489.db2.gz AOJDMYFSFWEECV-ZETCQYMHSA-N -1 1 386.869 0.762 20 0 GCADMM C[C@@H](C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573662027 948021892 /nfs/dbraw/zinc/02/18/92/948021892.db2.gz AYXCXVACJGJYPN-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573662027 948021901 /nfs/dbraw/zinc/02/19/01/948021901.db2.gz AYXCXVACJGJYPN-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573404351 948021963 /nfs/dbraw/zinc/02/19/63/948021963.db2.gz SIOLFWZRKPKXOG-CMPLNLGQSA-N -1 1 392.489 0.583 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c1-c1nnn[n-]1 ZINC000826345428 948022750 /nfs/dbraw/zinc/02/27/50/948022750.db2.gz KSLJSRQYWVPHKM-DGCLKSJQSA-N -1 1 388.384 0.650 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c1-c1nn[n-]n1 ZINC000826345428 948022756 /nfs/dbraw/zinc/02/27/56/948022756.db2.gz KSLJSRQYWVPHKM-DGCLKSJQSA-N -1 1 388.384 0.650 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cccn1 ZINC001573662315 948024860 /nfs/dbraw/zinc/02/48/60/948024860.db2.gz BGZHTDFHTWBPPD-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cccn1 ZINC001573662315 948024869 /nfs/dbraw/zinc/02/48/69/948024869.db2.gz BGZHTDFHTWBPPD-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404532 948026074 /nfs/dbraw/zinc/02/60/74/948026074.db2.gz UGSNLGHFINMYFM-RYUDHWBXSA-N -1 1 392.489 0.807 20 0 GCADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826345997 948033207 /nfs/dbraw/zinc/03/32/07/948033207.db2.gz ZWXCSRKARBRTCD-MRVPVSSYSA-N -1 1 391.413 0.230 20 0 GCADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826345997 948033211 /nfs/dbraw/zinc/03/32/11/948033211.db2.gz ZWXCSRKARBRTCD-MRVPVSSYSA-N -1 1 391.413 0.230 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573405223 948039073 /nfs/dbraw/zinc/03/90/73/948039073.db2.gz ZZWMIXIHYQWQCF-NEPJUHHUSA-N -1 1 392.489 0.807 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826346494 948040064 /nfs/dbraw/zinc/04/00/64/948040064.db2.gz NVBRPAUYCYKRRU-VIFPVBQESA-N -1 1 379.421 0.983 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826346494 948040071 /nfs/dbraw/zinc/04/00/71/948040071.db2.gz NVBRPAUYCYKRRU-VIFPVBQESA-N -1 1 379.421 0.983 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573405255 948040237 /nfs/dbraw/zinc/04/02/37/948040237.db2.gz NNWSUJXJRZWNRP-LBPRGKRZSA-N -1 1 392.489 0.585 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573405421 948042304 /nfs/dbraw/zinc/04/23/04/948042304.db2.gz QEDDIUBHKURELD-UHFFFAOYSA-N -1 1 392.489 0.443 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1-c1nnn[n-]1 ZINC000826346890 948046428 /nfs/dbraw/zinc/04/64/28/948046428.db2.gz YMGMRPGPVKZSPO-UHFFFAOYSA-N -1 1 395.301 0.878 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1-c1nn[n-]n1 ZINC000826346890 948046436 /nfs/dbraw/zinc/04/64/36/948046436.db2.gz YMGMRPGPVKZSPO-UHFFFAOYSA-N -1 1 395.301 0.878 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573664405 948052445 /nfs/dbraw/zinc/05/24/45/948052445.db2.gz UYTAMHJGKIBRKJ-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573664405 948052449 /nfs/dbraw/zinc/05/24/49/948052449.db2.gz UYTAMHJGKIBRKJ-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)NCCNc2nccc(C(F)(F)F)n2)c1-c1nnn[n-]1 ZINC000826347422 948054101 /nfs/dbraw/zinc/05/41/01/948054101.db2.gz QMUAXXVIZBFKMS-UHFFFAOYSA-N -1 1 397.321 0.743 20 0 GCADMM Cc1onc(CC(=O)NCCNc2nccc(C(F)(F)F)n2)c1-c1nn[n-]n1 ZINC000826347422 948054111 /nfs/dbraw/zinc/05/41/11/948054111.db2.gz QMUAXXVIZBFKMS-UHFFFAOYSA-N -1 1 397.321 0.743 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573664820 948063166 /nfs/dbraw/zinc/06/31/66/948063166.db2.gz GYOMGZDPIPPBAF-UNXYVOJBSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573664820 948063177 /nfs/dbraw/zinc/06/31/77/948063177.db2.gz GYOMGZDPIPPBAF-UNXYVOJBSA-N -1 1 383.420 0.349 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826347956 948063683 /nfs/dbraw/zinc/06/36/83/948063683.db2.gz NHZYVLYUIMBYOK-UHFFFAOYSA-N -1 1 390.425 0.567 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826347956 948063694 /nfs/dbraw/zinc/06/36/94/948063694.db2.gz NHZYVLYUIMBYOK-UHFFFAOYSA-N -1 1 390.425 0.567 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1)C1CCC1 ZINC001573664991 948063956 /nfs/dbraw/zinc/06/39/56/948063956.db2.gz ZJPBKMIDQRRSRV-GFCCVEGCSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573665089 948067446 /nfs/dbraw/zinc/06/74/46/948067446.db2.gz IPUIZNFXUZVFDM-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573665089 948067457 /nfs/dbraw/zinc/06/74/57/948067457.db2.gz IPUIZNFXUZVFDM-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573665257 948069705 /nfs/dbraw/zinc/06/97/05/948069705.db2.gz JPSLSFVHVGPGSU-PNESKVBLSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573665257 948069715 /nfs/dbraw/zinc/06/97/15/948069715.db2.gz JPSLSFVHVGPGSU-PNESKVBLSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573665436 948071944 /nfs/dbraw/zinc/07/19/44/948071944.db2.gz KUQRKFRKBBVHMX-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573665436 948071954 /nfs/dbraw/zinc/07/19/54/948071954.db2.gz KUQRKFRKBBVHMX-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573410001 948077990 /nfs/dbraw/zinc/07/79/90/948077990.db2.gz ZNFFDRSWLYWTIA-XYPYZODXSA-N -1 1 378.462 0.417 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573666488 948086807 /nfs/dbraw/zinc/08/68/07/948086807.db2.gz UBGAYDDXESNKGU-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573666489 948087097 /nfs/dbraw/zinc/08/70/97/948087097.db2.gz UBGAYDDXESNKGU-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573666855 948092123 /nfs/dbraw/zinc/09/21/23/948092123.db2.gz WVBJROBKHGVROV-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573666855 948092132 /nfs/dbraw/zinc/09/21/32/948092132.db2.gz WVBJROBKHGVROV-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573414816 948098725 /nfs/dbraw/zinc/09/87/25/948098725.db2.gz QFBNIGBZCKTFMN-PRHODGIISA-N -1 1 390.473 0.369 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573667395 948100305 /nfs/dbraw/zinc/10/03/05/948100305.db2.gz ZELYPQNYIOCCQM-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573667395 948100309 /nfs/dbraw/zinc/10/03/09/948100309.db2.gz ZELYPQNYIOCCQM-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](COc3ccccc3)C2)n(C)c1=O ZINC000826355597 948108730 /nfs/dbraw/zinc/10/87/30/948108730.db2.gz GYGLJWQFISZXFR-GFCCVEGCSA-N -1 1 383.412 0.169 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2CC(=O)c2ccco2)n(C)c1=O ZINC000826355838 948108880 /nfs/dbraw/zinc/10/88/80/948108880.db2.gz PDLIITPQCYBXPM-JTQLQIEISA-N -1 1 385.384 0.099 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)C[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573415556 948111114 /nfs/dbraw/zinc/11/11/14/948111114.db2.gz XMDKBAFXEFNDHS-QMMMGPOBSA-N -1 1 378.462 0.369 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C(C)(C)C)C1 ZINC001573418142 948114335 /nfs/dbraw/zinc/11/43/35/948114335.db2.gz CZQADATXAABCNZ-LBPRGKRZSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C(C)(C)C)C1 ZINC001573418142 948114339 /nfs/dbraw/zinc/11/43/39/948114339.db2.gz CZQADATXAABCNZ-LBPRGKRZSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573418529 948118124 /nfs/dbraw/zinc/11/81/24/948118124.db2.gz GOHODSQVSBQIJN-QMMMGPOBSA-N -1 1 378.462 0.274 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001573674630 948119576 /nfs/dbraw/zinc/11/95/76/948119576.db2.gz OPXPZHCWQOJDLA-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001573674630 948119581 /nfs/dbraw/zinc/11/95/81/948119581.db2.gz OPXPZHCWQOJDLA-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@]2(C)CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573419499 948123884 /nfs/dbraw/zinc/12/38/84/948123884.db2.gz NBAKRKCGWQVTOC-INIZCTEOSA-N -1 1 390.473 0.195 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573420191 948134671 /nfs/dbraw/zinc/13/46/71/948134671.db2.gz YUTNVHZFJPUFDE-ZCFIWIBFSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)NCCN(c2snc(C)c2-c2nn[n-]n2)C2CC2)C1 ZINC001573421452 948137533 /nfs/dbraw/zinc/13/75/33/948137533.db2.gz GAKKAWVILKSYFG-UHFFFAOYSA-N -1 1 390.473 0.195 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573424296 948149696 /nfs/dbraw/zinc/14/96/96/948149696.db2.gz XWLVUBKWGZRFOW-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001573678399 948151761 /nfs/dbraw/zinc/15/17/61/948151761.db2.gz DHJZHDBEJFIRPL-WCQYABFASA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001573678399 948151767 /nfs/dbraw/zinc/15/17/67/948151767.db2.gz DHJZHDBEJFIRPL-WCQYABFASA-N -1 1 384.448 0.747 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001573678985 948157021 /nfs/dbraw/zinc/15/70/21/948157021.db2.gz HDFZGNPNGKHRQI-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001573678985 948157030 /nfs/dbraw/zinc/15/70/30/948157030.db2.gz HDFZGNPNGKHRQI-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573429348 948169537 /nfs/dbraw/zinc/16/95/37/948169537.db2.gz HGVRBDVZBSNYKH-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573429348 948169547 /nfs/dbraw/zinc/16/95/47/948169547.db2.gz HGVRBDVZBSNYKH-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573429346 948170003 /nfs/dbraw/zinc/17/00/03/948170003.db2.gz HGVRBDVZBSNYKH-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573429346 948170011 /nfs/dbraw/zinc/17/00/11/948170011.db2.gz HGVRBDVZBSNYKH-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573429011 948170156 /nfs/dbraw/zinc/17/01/56/948170156.db2.gz GECVKLOWWGDXOC-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573429011 948170159 /nfs/dbraw/zinc/17/01/59/948170159.db2.gz GECVKLOWWGDXOC-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573429027 948170168 /nfs/dbraw/zinc/17/01/68/948170168.db2.gz GICVRRJEFOZDDZ-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573429027 948170172 /nfs/dbraw/zinc/17/01/72/948170172.db2.gz GICVRRJEFOZDDZ-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573430118 948175856 /nfs/dbraw/zinc/17/58/56/948175856.db2.gz ODGIQYVXWXADTC-VIFPVBQESA-N -1 1 392.489 0.807 20 0 GCADMM C[C@@H](C(=O)NCC(=O)c1cc(Cl)ccc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573680564 948182946 /nfs/dbraw/zinc/18/29/46/948182946.db2.gz QYJCQHVVBDXXFD-ZETCQYMHSA-N -1 1 378.755 0.811 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573432082 948185082 /nfs/dbraw/zinc/18/50/82/948185082.db2.gz CUJUXFTXEWIERH-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573432082 948185087 /nfs/dbraw/zinc/18/50/87/948185087.db2.gz CUJUXFTXEWIERH-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573681195 948196960 /nfs/dbraw/zinc/19/69/60/948196960.db2.gz SSXASBIWENJSGF-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573681195 948196966 /nfs/dbraw/zinc/19/69/66/948196966.db2.gz SSXASBIWENJSGF-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573681220 948197412 /nfs/dbraw/zinc/19/74/12/948197412.db2.gz SXGXBASNJFVVHG-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573681220 948197422 /nfs/dbraw/zinc/19/74/22/948197422.db2.gz SXGXBASNJFVVHG-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573433281 948200147 /nfs/dbraw/zinc/20/01/47/948200147.db2.gz JZBSFDHEMMALCC-XXFAHNHDSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@H](C(=O)NCC(=O)N1CCCCc2ccccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573681350 948200621 /nfs/dbraw/zinc/20/06/21/948200621.db2.gz WGWAINCRQRAYJB-GFCCVEGCSA-N -1 1 395.427 0.505 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573434709 948216708 /nfs/dbraw/zinc/21/67/08/948216708.db2.gz SKBKTHBGODTXDT-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434709 948216715 /nfs/dbraw/zinc/21/67/15/948216715.db2.gz SKBKTHBGODTXDT-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@H](N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)C1 ZINC001573434775 948218849 /nfs/dbraw/zinc/21/88/49/948218849.db2.gz WLXDUAWVLAGMHP-JTQLQIEISA-N -1 1 382.881 0.719 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)Cc1cccc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573691194 948239763 /nfs/dbraw/zinc/23/97/63/948239763.db2.gz IBYPEQDDPVLSTH-CABZTGNLSA-N -1 1 376.808 0.392 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573439722 948252578 /nfs/dbraw/zinc/25/25/78/948252578.db2.gz QGZVNFPSUIEUFF-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573439722 948252587 /nfs/dbraw/zinc/25/25/87/948252587.db2.gz QGZVNFPSUIEUFF-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573439855 948253394 /nfs/dbraw/zinc/25/33/94/948253394.db2.gz USMILBDZPOGCGR-ZDUSSCGKSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573439855 948253403 /nfs/dbraw/zinc/25/34/03/948253403.db2.gz USMILBDZPOGCGR-ZDUSSCGKSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439908 948256739 /nfs/dbraw/zinc/25/67/39/948256739.db2.gz VTOIWBGNBQOVOI-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439908 948256747 /nfs/dbraw/zinc/25/67/47/948256747.db2.gz VTOIWBGNBQOVOI-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1)C(C)(C)C ZINC001573692419 948263035 /nfs/dbraw/zinc/26/30/35/948263035.db2.gz PLZYEAOIOPLZOT-LBPRGKRZSA-N -1 1 388.476 0.838 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573441640 948271533 /nfs/dbraw/zinc/27/15/33/948271533.db2.gz LHOKWSRZPUOBEW-BXUZGUMPSA-N -1 1 387.448 0.235 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573441640 948271543 /nfs/dbraw/zinc/27/15/43/948271543.db2.gz LHOKWSRZPUOBEW-BXUZGUMPSA-N -1 1 387.448 0.235 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cccn1 ZINC001573692835 948272553 /nfs/dbraw/zinc/27/25/53/948272553.db2.gz SEUQXYMPNBNVJS-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cccn1 ZINC001573692835 948272563 /nfs/dbraw/zinc/27/25/63/948272563.db2.gz SEUQXYMPNBNVJS-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CCC1 ZINC001573692862 948273486 /nfs/dbraw/zinc/27/34/86/948273486.db2.gz QQZFJWUGUYQZSN-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573692862 948273490 /nfs/dbraw/zinc/27/34/90/948273490.db2.gz QQZFJWUGUYQZSN-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573692978 948276678 /nfs/dbraw/zinc/27/66/78/948276678.db2.gz RFXCGFPRVPNMRK-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573692978 948276691 /nfs/dbraw/zinc/27/66/91/948276691.db2.gz RFXCGFPRVPNMRK-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573694715 948297606 /nfs/dbraw/zinc/29/76/06/948297606.db2.gz DCUXOZDMAWATMZ-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573694715 948297612 /nfs/dbraw/zinc/29/76/12/948297612.db2.gz DCUXOZDMAWATMZ-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573695261 948302596 /nfs/dbraw/zinc/30/25/96/948302596.db2.gz FVTMUPBBZXOKDF-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573695261 948302604 /nfs/dbraw/zinc/30/26/04/948302604.db2.gz FVTMUPBBZXOKDF-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573695259 948302717 /nfs/dbraw/zinc/30/27/17/948302717.db2.gz FVTMUPBBZXOKDF-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573695259 948302725 /nfs/dbraw/zinc/30/27/25/948302725.db2.gz FVTMUPBBZXOKDF-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573442957 948303105 /nfs/dbraw/zinc/30/31/05/948303105.db2.gz KTQGEFGATZPEIG-AAEUAGOBSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573442957 948303114 /nfs/dbraw/zinc/30/31/14/948303114.db2.gz KTQGEFGATZPEIG-AAEUAGOBSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573443294 948304826 /nfs/dbraw/zinc/30/48/26/948304826.db2.gz MQJSBQXSIIXPAY-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573443294 948304834 /nfs/dbraw/zinc/30/48/34/948304834.db2.gz MQJSBQXSIIXPAY-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573444780 948316559 /nfs/dbraw/zinc/31/65/59/948316559.db2.gz VVTZXUPCHMIEQC-DGCLKSJQSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573444780 948316569 /nfs/dbraw/zinc/31/65/69/948316569.db2.gz VVTZXUPCHMIEQC-DGCLKSJQSA-N -1 1 387.448 0.140 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573696354 948324664 /nfs/dbraw/zinc/32/46/64/948324664.db2.gz OLWGYSFXHVRUGF-RFAUZJTJSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573696354 948324674 /nfs/dbraw/zinc/32/46/74/948324674.db2.gz OLWGYSFXHVRUGF-RFAUZJTJSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573696506 948326008 /nfs/dbraw/zinc/32/60/08/948326008.db2.gz RQBYRTIUVACRAZ-GFCCVEGCSA-N -1 1 387.469 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccc1 ZINC001573696882 948336735 /nfs/dbraw/zinc/33/67/35/948336735.db2.gz ZCYKYPZFICHVOL-SYQHCUMBSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001573696882 948336744 /nfs/dbraw/zinc/33/67/44/948336744.db2.gz ZCYKYPZFICHVOL-SYQHCUMBSA-N -1 1 379.428 0.518 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573447121 948340828 /nfs/dbraw/zinc/34/08/28/948340828.db2.gz WALIUVPLUQFKGR-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573447121 948340836 /nfs/dbraw/zinc/34/08/36/948340836.db2.gz WALIUVPLUQFKGR-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573702017 948343320 /nfs/dbraw/zinc/34/33/20/948343320.db2.gz CNDZPCUQFWTMTM-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573703210 948353883 /nfs/dbraw/zinc/35/38/83/948353883.db2.gz IWBGCAGOSBMSNT-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573703210 948353889 /nfs/dbraw/zinc/35/38/89/948353889.db2.gz IWBGCAGOSBMSNT-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573703420 948355732 /nfs/dbraw/zinc/35/57/32/948355732.db2.gz JYUJDTUEEOIDBS-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573703420 948355738 /nfs/dbraw/zinc/35/57/38/948355738.db2.gz JYUJDTUEEOIDBS-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573704162 948365247 /nfs/dbraw/zinc/36/52/47/948365247.db2.gz PXOJKRUZGKETAS-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573704162 948365256 /nfs/dbraw/zinc/36/52/56/948365256.db2.gz PXOJKRUZGKETAS-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573704109 948366388 /nfs/dbraw/zinc/36/63/88/948366388.db2.gz PASBZOCXOHXKGM-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573704109 948366396 /nfs/dbraw/zinc/36/63/96/948366396.db2.gz PASBZOCXOHXKGM-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573704604 948378642 /nfs/dbraw/zinc/37/86/42/948378642.db2.gz TVRJAJIPSOFIGD-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573704604 948378651 /nfs/dbraw/zinc/37/86/51/948378651.db2.gz TVRJAJIPSOFIGD-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C1CCC1 ZINC001573704873 948385603 /nfs/dbraw/zinc/38/56/03/948385603.db2.gz BUDHCHIWXCAZEF-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C1CCC1 ZINC001573704873 948385608 /nfs/dbraw/zinc/38/56/08/948385608.db2.gz BUDHCHIWXCAZEF-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573704964 948387758 /nfs/dbraw/zinc/38/77/58/948387758.db2.gz FMJYWLOFOKMPEY-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573705020 948389921 /nfs/dbraw/zinc/38/99/21/948389921.db2.gz VEFFPATZVABKDY-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)C1CCC1 ZINC001573705064 948391105 /nfs/dbraw/zinc/39/11/05/948391105.db2.gz COKGEFAYKUXXEP-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000826494973 948410067 /nfs/dbraw/zinc/41/00/67/948410067.db2.gz XPXSFPXJAWSEGA-AWEZNQCLSA-N -1 1 386.437 0.894 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000826494973 948410070 /nfs/dbraw/zinc/41/00/70/948410070.db2.gz XPXSFPXJAWSEGA-AWEZNQCLSA-N -1 1 386.437 0.894 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCCC1 ZINC001573706624 948422194 /nfs/dbraw/zinc/42/21/94/948422194.db2.gz JTAJSHFWOLLLGN-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCCC1 ZINC001573706624 948422198 /nfs/dbraw/zinc/42/21/98/948422198.db2.gz JTAJSHFWOLLLGN-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573706714 948422275 /nfs/dbraw/zinc/42/22/75/948422275.db2.gz KYDFJZQUKLSEGS-LBPRGKRZSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573706714 948422277 /nfs/dbraw/zinc/42/22/77/948422277.db2.gz KYDFJZQUKLSEGS-LBPRGKRZSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(C)(F)F ZINC001573706661 948422518 /nfs/dbraw/zinc/42/25/18/948422518.db2.gz KJWKALYNYDLJFN-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(C)(F)F ZINC001573706661 948422522 /nfs/dbraw/zinc/42/25/22/948422522.db2.gz KJWKALYNYDLJFN-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573707110 948428166 /nfs/dbraw/zinc/42/81/66/948428166.db2.gz MNPPEUTXIXXGCZ-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573707110 948428173 /nfs/dbraw/zinc/42/81/73/948428173.db2.gz MNPPEUTXIXXGCZ-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(F)(F)F ZINC001573707462 948433181 /nfs/dbraw/zinc/43/31/81/948433181.db2.gz NUUYMQVRUVVGRO-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(F)(F)F ZINC001573707462 948433186 /nfs/dbraw/zinc/43/31/86/948433186.db2.gz NUUYMQVRUVVGRO-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573707880 948439013 /nfs/dbraw/zinc/43/90/13/948439013.db2.gz QWZJVMMYLJBWBA-SWLSCSKDSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573707880 948439020 /nfs/dbraw/zinc/43/90/20/948439020.db2.gz QWZJVMMYLJBWBA-SWLSCSKDSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573707904 948441809 /nfs/dbraw/zinc/44/18/09/948441809.db2.gz QHWDVDMTTADPLQ-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573707904 948441811 /nfs/dbraw/zinc/44/18/11/948441811.db2.gz QHWDVDMTTADPLQ-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573708270 948446806 /nfs/dbraw/zinc/44/68/06/948446806.db2.gz SNYZEIPKUSNSOG-OLZOCXBDSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573708532 948451489 /nfs/dbraw/zinc/45/14/89/948451489.db2.gz WITVDXUPALVBTK-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573708532 948451493 /nfs/dbraw/zinc/45/14/93/948451493.db2.gz WITVDXUPALVBTK-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573708682 948455802 /nfs/dbraw/zinc/45/58/02/948455802.db2.gz XBWRPUNYRHXDCP-LBPRGKRZSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573708682 948455807 /nfs/dbraw/zinc/45/58/07/948455807.db2.gz XBWRPUNYRHXDCP-LBPRGKRZSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573708681 948456507 /nfs/dbraw/zinc/45/65/07/948456507.db2.gz XBWRPUNYRHXDCP-GFCCVEGCSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573708681 948456512 /nfs/dbraw/zinc/45/65/12/948456512.db2.gz XBWRPUNYRHXDCP-GFCCVEGCSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573714510 948473458 /nfs/dbraw/zinc/47/34/58/948473458.db2.gz HKJTUEYBJNRYEY-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573715418 948489849 /nfs/dbraw/zinc/48/98/49/948489849.db2.gz VWPWSUUMJIHIRB-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573715418 948489853 /nfs/dbraw/zinc/48/98/53/948489853.db2.gz VWPWSUUMJIHIRB-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(Cl)cc1 ZINC001573716218 948497075 /nfs/dbraw/zinc/49/70/75/948497075.db2.gz DHESSQIRHOFPOB-SECBINFHSA-N -1 1 389.803 0.702 20 0 GCADMM C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573718146 948515304 /nfs/dbraw/zinc/51/53/04/948515304.db2.gz HZJZNNMAJRSBDM-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573720699 948533928 /nfs/dbraw/zinc/53/39/28/948533928.db2.gz RTGMSXXHEMSFJU-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573720699 948533936 /nfs/dbraw/zinc/53/39/36/948533936.db2.gz RTGMSXXHEMSFJU-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC001573728191 948559098 /nfs/dbraw/zinc/55/90/98/948559098.db2.gz PYMKPQSJLHHWPT-FRRDWIJNSA-N -1 1 396.459 0.382 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC001573728191 948559102 /nfs/dbraw/zinc/55/91/02/948559102.db2.gz PYMKPQSJLHHWPT-FRRDWIJNSA-N -1 1 396.459 0.382 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573728149 948560053 /nfs/dbraw/zinc/56/00/53/948560053.db2.gz PKULLXXPIUGOPX-BZPMIXESSA-N -1 1 379.428 0.584 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccn1 ZINC001573728964 948563647 /nfs/dbraw/zinc/56/36/47/948563647.db2.gz RNGCGWZPKYONJZ-JHJVBQTASA-N -1 1 382.432 0.303 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccn1 ZINC001573728964 948563652 /nfs/dbraw/zinc/56/36/52/948563652.db2.gz RNGCGWZPKYONJZ-JHJVBQTASA-N -1 1 382.432 0.303 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573736075 948613184 /nfs/dbraw/zinc/61/31/84/948613184.db2.gz GOFJEWADMLDDDT-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573736075 948613187 /nfs/dbraw/zinc/61/31/87/948613187.db2.gz GOFJEWADMLDDDT-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM CC(C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O)=C1CCCC1 ZINC001573739263 948619433 /nfs/dbraw/zinc/61/94/33/948619433.db2.gz BWBWCYNTTTWSAK-CABCVRRESA-N -1 1 384.444 0.521 20 0 GCADMM CC(C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O)=C1CCCC1 ZINC001573739263 948619440 /nfs/dbraw/zinc/61/94/40/948619440.db2.gz BWBWCYNTTTWSAK-CABCVRRESA-N -1 1 384.444 0.521 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1cccs1 ZINC001573740230 948630865 /nfs/dbraw/zinc/63/08/65/948630865.db2.gz LPWSQNWPGUMXBA-GMTAPVOTSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1cccs1 ZINC001573740230 948630872 /nfs/dbraw/zinc/63/08/72/948630872.db2.gz LPWSQNWPGUMXBA-GMTAPVOTSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC001573740600 948638446 /nfs/dbraw/zinc/63/84/46/948638446.db2.gz QQRYOLQBEVIFKT-NQBHXWOUSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC001573740600 948638452 /nfs/dbraw/zinc/63/84/52/948638452.db2.gz QQRYOLQBEVIFKT-NQBHXWOUSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573740989 948646546 /nfs/dbraw/zinc/64/65/46/948646546.db2.gz VXOGYKBQXYPUQN-BYNQJWBRSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573740989 948646552 /nfs/dbraw/zinc/64/65/52/948646552.db2.gz VXOGYKBQXYPUQN-BYNQJWBRSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccsc1 ZINC001573741167 948650453 /nfs/dbraw/zinc/65/04/53/948650453.db2.gz UNESSRVBPJZGKS-YUSALJHKSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573745547 948672323 /nfs/dbraw/zinc/67/23/23/948672323.db2.gz DRZKYZNINQGLCD-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573745547 948672328 /nfs/dbraw/zinc/67/23/28/948672328.db2.gz DRZKYZNINQGLCD-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573747481 948692443 /nfs/dbraw/zinc/69/24/43/948692443.db2.gz VHCNNWJVHOMSJP-XDQVBPFNSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573753364 948717663 /nfs/dbraw/zinc/71/76/63/948717663.db2.gz SBSCEEQNHNKWRG-NDBYEHHHSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573753364 948717667 /nfs/dbraw/zinc/71/76/67/948717667.db2.gz SBSCEEQNHNKWRG-NDBYEHHHSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)S(=O)(=O)c1ccc(F)cc1 ZINC001573754506 948740908 /nfs/dbraw/zinc/74/09/08/948740908.db2.gz GGKRSYVETYBZLX-QMMMGPOBSA-N -1 1 379.377 0.540 20 0 GCADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)S(=O)(=O)c1ccc(F)cc1 ZINC001573754506 948740915 /nfs/dbraw/zinc/74/09/15/948740915.db2.gz GGKRSYVETYBZLX-QMMMGPOBSA-N -1 1 379.377 0.540 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001574416053 948744272 /nfs/dbraw/zinc/74/42/72/948744272.db2.gz OCQOQRGKYSCOJG-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001574416053 948744280 /nfs/dbraw/zinc/74/42/80/948744280.db2.gz OCQOQRGKYSCOJG-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574416029 948744366 /nfs/dbraw/zinc/74/43/66/948744366.db2.gz NWTHUMMBXXWUJV-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574416029 948744372 /nfs/dbraw/zinc/74/43/72/948744372.db2.gz NWTHUMMBXXWUJV-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075857 948748926 /nfs/dbraw/zinc/74/89/26/948748926.db2.gz ZOIASBJVMIHTJT-WCQYABFASA-N -1 1 378.412 0.102 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C2CC2)nn1C ZINC001574678544 948753920 /nfs/dbraw/zinc/75/39/20/948753920.db2.gz GWHQHHYYIKXMBF-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C2CC2)nn1C ZINC001574678544 948753928 /nfs/dbraw/zinc/75/39/28/948753928.db2.gz GWHQHHYYIKXMBF-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223234 948761531 /nfs/dbraw/zinc/76/15/31/948761531.db2.gz LWVZDZNXRMKQNE-AOOOYVTPSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574915420 948763176 /nfs/dbraw/zinc/76/31/76/948763176.db2.gz TUOANYZIHGYOCL-LLVKDONJSA-N -1 1 383.416 0.554 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574915420 948763189 /nfs/dbraw/zinc/76/31/89/948763189.db2.gz TUOANYZIHGYOCL-LLVKDONJSA-N -1 1 383.416 0.554 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574679132 948765463 /nfs/dbraw/zinc/76/54/63/948765463.db2.gz OJWNFLUKMGARLB-GHMZBOCLSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574679132 948765476 /nfs/dbraw/zinc/76/54/76/948765476.db2.gz OJWNFLUKMGARLB-GHMZBOCLSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COCc1ccncc1 ZINC001574679057 948766204 /nfs/dbraw/zinc/76/62/04/948766204.db2.gz MLAPJJDTQMSCLC-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COCc1ccncc1 ZINC001574679057 948766211 /nfs/dbraw/zinc/76/62/11/948766211.db2.gz MLAPJJDTQMSCLC-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574915857 948769973 /nfs/dbraw/zinc/76/99/73/948769973.db2.gz YFUPIOHAJPNTME-LLVKDONJSA-N -1 1 383.416 0.331 20 0 GCADMM CC(F)(F)CC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575223803 948770886 /nfs/dbraw/zinc/77/08/86/948770886.db2.gz FXVLMMNQTGCCIS-UHFFFAOYSA-N -1 1 382.375 0.201 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn2c1OCCC2 ZINC001574679391 948782259 /nfs/dbraw/zinc/78/22/59/948782259.db2.gz USWVKAHCVJDQIT-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn2c1OCCC2 ZINC001574679391 948782273 /nfs/dbraw/zinc/78/22/73/948782273.db2.gz USWVKAHCVJDQIT-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM C[C@@H](C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755826 948785563 /nfs/dbraw/zinc/78/55/63/948785563.db2.gz JCVJBTJFEHRAQI-GWCFXTLKSA-N -1 1 381.400 0.999 20 0 GCADMM C[C@@H](C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755827 948785723 /nfs/dbraw/zinc/78/57/23/948785723.db2.gz JCVJBTJFEHRAQI-GXFFZTMASA-N -1 1 381.400 0.999 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1noc2c1COCC2 ZINC001574679556 948790231 /nfs/dbraw/zinc/79/02/31/948790231.db2.gz XWSUSYXBGFTRPZ-SECBINFHSA-N -1 1 385.388 0.338 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1noc2c1COCC2 ZINC001574679556 948790239 /nfs/dbraw/zinc/79/02/39/948790239.db2.gz XWSUSYXBGFTRPZ-SECBINFHSA-N -1 1 385.388 0.338 20 0 GCADMM C[C@@H](C(=O)Nc1ncc(F)cc1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573756139 948797551 /nfs/dbraw/zinc/79/75/51/948797551.db2.gz XTJWBYGJXDTPQG-YFKPBYRVSA-N -1 1 382.157 0.955 20 0 GCADMM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001574080755 948800076 /nfs/dbraw/zinc/80/00/76/948800076.db2.gz NAJCEDMIJJYVLR-VXGBXAGGSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001574080755 948800087 /nfs/dbraw/zinc/80/00/87/948800087.db2.gz NAJCEDMIJJYVLR-VXGBXAGGSA-N -1 1 378.412 0.362 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574680112 948800271 /nfs/dbraw/zinc/80/02/71/948800271.db2.gz DOEIVWULXSPPTD-LLVKDONJSA-N -1 1 389.464 0.516 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574680112 948800276 /nfs/dbraw/zinc/80/02/76/948800276.db2.gz DOEIVWULXSPPTD-LLVKDONJSA-N -1 1 389.464 0.516 20 0 GCADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001574080753 948801644 /nfs/dbraw/zinc/80/16/44/948801644.db2.gz NAJCEDMIJJYVLR-NWDGAFQWSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001574080753 948801660 /nfs/dbraw/zinc/80/16/60/948801660.db2.gz NAJCEDMIJJYVLR-NWDGAFQWSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)c1cccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)n1 ZINC001574420562 948801855 /nfs/dbraw/zinc/80/18/55/948801855.db2.gz YXMICPJTYUNVTB-KGLIPLIRSA-N -1 1 395.427 0.155 20 0 GCADMM CC(C)c1cccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)n1 ZINC001574420562 948801864 /nfs/dbraw/zinc/80/18/64/948801864.db2.gz YXMICPJTYUNVTB-KGLIPLIRSA-N -1 1 395.427 0.155 20 0 GCADMM CC(F)(F)CC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575225377 948803055 /nfs/dbraw/zinc/80/30/55/948803055.db2.gz ZFPSCZRXUYKXNB-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575225377 948803073 /nfs/dbraw/zinc/80/30/73/948803073.db2.gz ZFPSCZRXUYKXNB-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001574680840 948806920 /nfs/dbraw/zinc/80/69/20/948806920.db2.gz ITRITIWQPBASDY-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001574680840 948806932 /nfs/dbraw/zinc/80/69/32/948806932.db2.gz ITRITIWQPBASDY-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001574680870 948807157 /nfs/dbraw/zinc/80/71/57/948807157.db2.gz JHNDZEIEWGBGGZ-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001574680870 948807177 /nfs/dbraw/zinc/80/71/77/948807177.db2.gz JHNDZEIEWGBGGZ-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001574680538 948810119 /nfs/dbraw/zinc/81/01/19/948810119.db2.gz ICDZWUPZBJAHMT-DIFFPNOSSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001574680538 948810141 /nfs/dbraw/zinc/81/01/41/948810141.db2.gz ICDZWUPZBJAHMT-DIFFPNOSSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574681350 948816724 /nfs/dbraw/zinc/81/67/24/948816724.db2.gz LTHOOMKCJKYEKW-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574681350 948816744 /nfs/dbraw/zinc/81/67/44/948816744.db2.gz LTHOOMKCJKYEKW-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccnc1N(C)C ZINC001574681379 948819540 /nfs/dbraw/zinc/81/95/40/948819540.db2.gz MJNIEMHKHBUGDL-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccnc1N(C)C ZINC001574681379 948819561 /nfs/dbraw/zinc/81/95/61/948819561.db2.gz MJNIEMHKHBUGDL-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccn1 ZINC001574081138 948820059 /nfs/dbraw/zinc/82/00/59/948820059.db2.gz WZMQZSPCBHAQNV-CQSZACIVSA-N -1 1 384.400 0.428 20 0 GCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001573756474 948821271 /nfs/dbraw/zinc/82/12/71/948821271.db2.gz SKAABCZWUUKBOU-PSASIEDQSA-N -1 1 380.409 0.392 20 0 GCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001573756474 948821289 /nfs/dbraw/zinc/82/12/89/948821289.db2.gz SKAABCZWUUKBOU-PSASIEDQSA-N -1 1 380.409 0.392 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C(N)=O)s1 ZINC001574681823 948823591 /nfs/dbraw/zinc/82/35/91/948823591.db2.gz OGWGXVYSOHGJJP-MRVPVSSYSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C(N)=O)s1 ZINC001574681823 948823602 /nfs/dbraw/zinc/82/36/02/948823602.db2.gz OGWGXVYSOHGJJP-MRVPVSSYSA-N -1 1 387.429 0.438 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001574421750 948824188 /nfs/dbraw/zinc/82/41/88/948824188.db2.gz NYZAOXAFLHSPIH-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001574421750 948824193 /nfs/dbraw/zinc/82/41/93/948824193.db2.gz NYZAOXAFLHSPIH-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574421828 948824680 /nfs/dbraw/zinc/82/46/80/948824680.db2.gz QZKWEGROEVJYCP-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574421828 948824699 /nfs/dbraw/zinc/82/46/99/948824699.db2.gz QZKWEGROEVJYCP-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc2[nH]cnc2c1 ZINC001574682848 948830929 /nfs/dbraw/zinc/83/09/29/948830929.db2.gz RTZMNCCRHGATFU-SECBINFHSA-N -1 1 379.388 0.549 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc2[nH]cnc2c1 ZINC001574682848 948830945 /nfs/dbraw/zinc/83/09/45/948830945.db2.gz RTZMNCCRHGATFU-SECBINFHSA-N -1 1 379.388 0.549 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574682834 948831220 /nfs/dbraw/zinc/83/12/20/948831220.db2.gz RRYGIVVVRDZPCA-GFCCVEGCSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574682834 948831244 /nfs/dbraw/zinc/83/12/44/948831244.db2.gz RRYGIVVVRDZPCA-GFCCVEGCSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574683051 948836830 /nfs/dbraw/zinc/83/68/30/948836830.db2.gz SPSKWQOEOSRLHG-YPMHNXCESA-N -1 1 387.448 0.363 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574683051 948836849 /nfs/dbraw/zinc/83/68/49/948836849.db2.gz SPSKWQOEOSRLHG-YPMHNXCESA-N -1 1 387.448 0.363 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574683271 948846439 /nfs/dbraw/zinc/84/64/39/948846439.db2.gz XEWKTSXFPKALDF-LLVKDONJSA-N -1 1 383.416 0.697 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574683271 948846462 /nfs/dbraw/zinc/84/64/62/948846462.db2.gz XEWKTSXFPKALDF-LLVKDONJSA-N -1 1 383.416 0.697 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001575229351 948847802 /nfs/dbraw/zinc/84/78/02/948847802.db2.gz JBXPIJTUIQWVLK-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001575229351 948847818 /nfs/dbraw/zinc/84/78/18/948847818.db2.gz JBXPIJTUIQWVLK-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cs1 ZINC001574424333 948849619 /nfs/dbraw/zinc/84/96/19/948849619.db2.gz KWVVBMPQJMIOCS-JTQLQIEISA-N -1 1 385.457 0.985 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)cs1 ZINC001574425506 948874964 /nfs/dbraw/zinc/87/49/64/948874964.db2.gz GZYDTQOWVWXLBE-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)cs1 ZINC001574425506 948874986 /nfs/dbraw/zinc/87/49/86/948874986.db2.gz GZYDTQOWVWXLBE-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575233163 948882241 /nfs/dbraw/zinc/88/22/41/948882241.db2.gz HKYZFBGREHLJOI-RXMQYKEDSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575233163 948882255 /nfs/dbraw/zinc/88/22/55/948882255.db2.gz HKYZFBGREHLJOI-RXMQYKEDSA-N -1 1 381.796 0.911 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnn(C)n1 ZINC001574684803 948887370 /nfs/dbraw/zinc/88/73/70/948887370.db2.gz MWPCUFIDFZCQPO-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM CC[C@H](N[C@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1OCC(=O)N(C)C ZINC001589569578 948901546 /nfs/dbraw/zinc/90/15/46/948901546.db2.gz YLSBCEDFLOXYSB-GJZGRUSLSA-N -1 1 377.441 0.880 20 0 GCADMM CC[C@@H](N[C@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1OCC(=O)N(C)C ZINC001589569577 948901601 /nfs/dbraw/zinc/90/16/01/948901601.db2.gz YLSBCEDFLOXYSB-CABCVRRESA-N -1 1 377.441 0.880 20 0 GCADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001575234435 948902295 /nfs/dbraw/zinc/90/22/95/948902295.db2.gz CPOHRCYGDXPSJQ-PHIMTYICSA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001575234435 948902320 /nfs/dbraw/zinc/90/23/20/948902320.db2.gz CPOHRCYGDXPSJQ-PHIMTYICSA-N -1 1 378.387 0.987 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1COC(=O)N1 ZINC001574685232 948904533 /nfs/dbraw/zinc/90/45/33/948904533.db2.gz UBMCFLRMBUOTFP-NTSWFWBYSA-N -1 1 386.825 0.392 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1COC(=O)N1 ZINC001574685232 948904547 /nfs/dbraw/zinc/90/45/47/948904547.db2.gz UBMCFLRMBUOTFP-NTSWFWBYSA-N -1 1 386.825 0.392 20 0 GCADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573765341 948906416 /nfs/dbraw/zinc/90/64/16/948906416.db2.gz ZAQNOUIMONUZOB-CHWSQXEVSA-N -1 1 386.460 0.687 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427601 948907716 /nfs/dbraw/zinc/90/77/16/948907716.db2.gz INEKORKWQRNNLI-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427601 948907726 /nfs/dbraw/zinc/90/77/26/948907726.db2.gz INEKORKWQRNNLI-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCCO1 ZINC001573765692 948919675 /nfs/dbraw/zinc/91/96/75/948919675.db2.gz XUEBZVBJJBRHMB-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCCO1 ZINC001573765692 948919693 /nfs/dbraw/zinc/91/96/93/948919693.db2.gz XUEBZVBJJBRHMB-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574432231 948929355 /nfs/dbraw/zinc/92/93/55/948929355.db2.gz FZBACMFNAYVQQS-LLVKDONJSA-N -1 1 380.416 0.319 20 0 GCADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573765945 948930119 /nfs/dbraw/zinc/93/01/19/948930119.db2.gz QWBJPZHWMVSMGM-KBPBESRZSA-N -1 1 391.439 0.819 20 0 GCADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573765945 948930126 /nfs/dbraw/zinc/93/01/26/948930126.db2.gz QWBJPZHWMVSMGM-KBPBESRZSA-N -1 1 391.439 0.819 20 0 GCADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573766006 948930521 /nfs/dbraw/zinc/93/05/21/948930521.db2.gz SSDYGVIGMOIVKA-KBPBESRZSA-N -1 1 391.439 0.819 20 0 GCADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573766006 948930528 /nfs/dbraw/zinc/93/05/28/948930528.db2.gz SSDYGVIGMOIVKA-KBPBESRZSA-N -1 1 391.439 0.819 20 0 GCADMM CC(C)c1ncncc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574432301 948930742 /nfs/dbraw/zinc/93/07/42/948930742.db2.gz JGURQXYTWPPBRJ-UHFFFAOYSA-N -1 1 382.432 0.779 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574923031 948931120 /nfs/dbraw/zinc/93/11/20/948931120.db2.gz BPVVLWMSESULSQ-JTQLQIEISA-N -1 1 390.839 0.538 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574432442 948931188 /nfs/dbraw/zinc/93/11/88/948931188.db2.gz JPROQHDWHDJBSO-NSHDSACASA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574432442 948931199 /nfs/dbraw/zinc/93/11/99/948931199.db2.gz JPROQHDWHDJBSO-NSHDSACASA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574432554 948934216 /nfs/dbraw/zinc/93/42/16/948934216.db2.gz MTERREKHAHPGFX-XYPYZODXSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574432554 948934231 /nfs/dbraw/zinc/93/42/31/948934231.db2.gz MTERREKHAHPGFX-XYPYZODXSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573771322 948938646 /nfs/dbraw/zinc/93/86/46/948938646.db2.gz GHPPHWQPJJGHDE-LLVKDONJSA-N -1 1 382.432 0.443 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574432921 948943275 /nfs/dbraw/zinc/94/32/75/948943275.db2.gz PIQIQBKWMPMZML-LLVKDONJSA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574432921 948943281 /nfs/dbraw/zinc/94/32/81/948943281.db2.gz PIQIQBKWMPMZML-LLVKDONJSA-N -1 1 380.416 0.897 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001575237313 948944691 /nfs/dbraw/zinc/94/46/91/948944691.db2.gz DTDFZMNKNKABBO-GXSJLCMTSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001575237313 948944702 /nfs/dbraw/zinc/94/47/02/948944702.db2.gz DTDFZMNKNKABBO-GXSJLCMTSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574433371 948951646 /nfs/dbraw/zinc/95/16/46/948951646.db2.gz WOMUQONZTRPKMP-UHFFFAOYSA-N -1 1 380.416 0.533 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574433371 948951656 /nfs/dbraw/zinc/95/16/56/948951656.db2.gz WOMUQONZTRPKMP-UHFFFAOYSA-N -1 1 380.416 0.533 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001575238420 948955056 /nfs/dbraw/zinc/95/50/56/948955056.db2.gz MXTYWGWNKGHAGB-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001575238420 948955062 /nfs/dbraw/zinc/95/50/62/948955062.db2.gz MXTYWGWNKGHAGB-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)(C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1c[nH]cn1 ZINC001573772547 948961033 /nfs/dbraw/zinc/96/10/33/948961033.db2.gz UQKWLKZLVWWNKH-UHFFFAOYSA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574089628 948962209 /nfs/dbraw/zinc/96/22/09/948962209.db2.gz INWQKKUVRMRUJI-STQMWFEESA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574089628 948962225 /nfs/dbraw/zinc/96/22/25/948962225.db2.gz INWQKKUVRMRUJI-STQMWFEESA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574433797 948962910 /nfs/dbraw/zinc/96/29/10/948962910.db2.gz QOFXUENOQASQTO-UHFFFAOYSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574433797 948962924 /nfs/dbraw/zinc/96/29/24/948962924.db2.gz QOFXUENOQASQTO-UHFFFAOYSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433761 948963162 /nfs/dbraw/zinc/96/31/62/948963162.db2.gz PILIERLOPSJSCB-WDEREUQCSA-N -1 1 384.448 0.554 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001575239595 948963767 /nfs/dbraw/zinc/96/37/67/948963767.db2.gz UYGSALHLVKMOGB-ZJUUUORDSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574089624 948963807 /nfs/dbraw/zinc/96/38/07/948963807.db2.gz INWQKKUVRMRUJI-OLZOCXBDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574089624 948963814 /nfs/dbraw/zinc/96/38/14/948963814.db2.gz INWQKKUVRMRUJI-OLZOCXBDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573772739 948963813 /nfs/dbraw/zinc/96/38/13/948963813.db2.gz CYDBIXRXASGRER-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573772739 948963823 /nfs/dbraw/zinc/96/38/23/948963823.db2.gz CYDBIXRXASGRER-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573772740 948964526 /nfs/dbraw/zinc/96/45/26/948964526.db2.gz CYDBIXRXASGRER-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573772740 948964536 /nfs/dbraw/zinc/96/45/36/948964536.db2.gz CYDBIXRXASGRER-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001575239591 948965029 /nfs/dbraw/zinc/96/50/29/948965029.db2.gz UYGSALHLVKMOGB-UWVGGRQHSA-N -1 1 382.375 0.148 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574925564 948972513 /nfs/dbraw/zinc/97/25/13/948972513.db2.gz BCIAXXDKCVXMNE-LBPRGKRZSA-N -1 1 387.448 0.000 20 0 GCADMM CC(C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574434340 948979439 /nfs/dbraw/zinc/97/94/39/948979439.db2.gz HSYFHGYVRPHPSZ-UHFFFAOYSA-N -1 1 385.432 0.925 20 0 GCADMM CC(C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574434340 948979457 /nfs/dbraw/zinc/97/94/57/948979457.db2.gz HSYFHGYVRPHPSZ-UHFFFAOYSA-N -1 1 385.432 0.925 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C(F)F ZINC001573773610 948985498 /nfs/dbraw/zinc/98/54/98/948985498.db2.gz NHSAVPUOMBOCLN-SCZZXKLOSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C(F)F ZINC001573773610 948985515 /nfs/dbraw/zinc/98/55/15/948985515.db2.gz NHSAVPUOMBOCLN-SCZZXKLOSA-N -1 1 382.375 0.004 20 0 GCADMM C[C@H](F)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001575243144 948990613 /nfs/dbraw/zinc/99/06/13/948990613.db2.gz NKVXZDUENHBGEC-WCQYABFASA-N -1 1 377.424 0.906 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573773753 948991898 /nfs/dbraw/zinc/99/18/98/948991898.db2.gz GVAPWSRUOGQLOH-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573773753 948991909 /nfs/dbraw/zinc/99/19/09/948991909.db2.gz GVAPWSRUOGQLOH-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM C[C@@H](F)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001575243141 948992037 /nfs/dbraw/zinc/99/20/37/948992037.db2.gz NKVXZDUENHBGEC-DGCLKSJQSA-N -1 1 377.424 0.906 20 0 GCADMM CC(C)(C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573773972 948993798 /nfs/dbraw/zinc/99/37/98/948993798.db2.gz HGJFQFQVRPPLBI-VIFPVBQESA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1nccnc1-c1nnn[n-]1 ZINC001574926273 948995545 /nfs/dbraw/zinc/99/55/45/948995545.db2.gz MINVKWVVHMZFTF-LBPRGKRZSA-N -1 1 387.448 0.224 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1nccnc1-c1nn[n-]n1 ZINC001574926273 948995557 /nfs/dbraw/zinc/99/55/57/948995557.db2.gz MINVKWVVHMZFTF-LBPRGKRZSA-N -1 1 387.448 0.224 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 ZINC001574090888 948997157 /nfs/dbraw/zinc/99/71/57/948997157.db2.gz JUSAWHTWZYIESM-NEPJUHHUSA-N -1 1 390.448 0.816 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCO1 ZINC001574090888 948997172 /nfs/dbraw/zinc/99/71/72/948997172.db2.gz JUSAWHTWZYIESM-NEPJUHHUSA-N -1 1 390.448 0.816 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C(F)F ZINC001573774110 949001192 /nfs/dbraw/zinc/00/11/92/949001192.db2.gz QLKXGPYPVAFTHF-WPRPVWTQSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)C(F)F ZINC001573774110 949001207 /nfs/dbraw/zinc/00/12/07/949001207.db2.gz QLKXGPYPVAFTHF-WPRPVWTQSA-N -1 1 382.375 0.004 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575501335 949008559 /nfs/dbraw/zinc/00/85/59/949008559.db2.gz GNJAUNUGPRKDBX-GFCCVEGCSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575501335 949008576 /nfs/dbraw/zinc/00/85/76/949008576.db2.gz GNJAUNUGPRKDBX-GFCCVEGCSA-N -1 1 383.416 0.414 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573774519 949014641 /nfs/dbraw/zinc/01/46/41/949014641.db2.gz UBDGGZHLUAGHFC-CYBMUJFWSA-N -1 1 388.476 0.574 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574439906 949019170 /nfs/dbraw/zinc/01/91/70/949019170.db2.gz MBLNBRDPQDIAEZ-SECBINFHSA-N -1 1 386.445 0.640 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574439906 949019192 /nfs/dbraw/zinc/01/91/92/949019192.db2.gz MBLNBRDPQDIAEZ-SECBINFHSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575502288 949021003 /nfs/dbraw/zinc/02/10/03/949021003.db2.gz JXQGPDNLYJCMLX-NWDGAFQWSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575502274 949021230 /nfs/dbraw/zinc/02/12/30/949021230.db2.gz JUPSVSPLCAOZIS-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575502274 949021251 /nfs/dbraw/zinc/02/12/51/949021251.db2.gz JUPSVSPLCAOZIS-UTUOFQBUSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575502208 949024281 /nfs/dbraw/zinc/02/42/81/949024281.db2.gz ISXMCGREQLMWTC-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575502208 949024300 /nfs/dbraw/zinc/02/43/00/949024300.db2.gz ISXMCGREQLMWTC-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCCO1 ZINC001573775081 949032657 /nfs/dbraw/zinc/03/26/57/949032657.db2.gz YXLFRZICRLLVBS-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573775081 949032665 /nfs/dbraw/zinc/03/26/65/949032665.db2.gz YXLFRZICRLLVBS-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574926994 949033548 /nfs/dbraw/zinc/03/35/48/949033548.db2.gz FJPVXAIHYHUZLY-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574926994 949033594 /nfs/dbraw/zinc/03/35/94/949033594.db2.gz FJPVXAIHYHUZLY-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574926989 949034458 /nfs/dbraw/zinc/03/44/58/949034458.db2.gz DZHPVUDODXGMOQ-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574926989 949034440 /nfs/dbraw/zinc/03/44/40/949034440.db2.gz DZHPVUDODXGMOQ-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574440582 949035363 /nfs/dbraw/zinc/03/53/63/949035363.db2.gz SZWFBBPATKSSRH-VIFPVBQESA-N -1 1 388.461 0.886 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574440582 949035383 /nfs/dbraw/zinc/03/53/83/949035383.db2.gz SZWFBBPATKSSRH-VIFPVBQESA-N -1 1 388.461 0.886 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246427 949036884 /nfs/dbraw/zinc/03/68/84/949036884.db2.gz GJUJYPPOIDKTCE-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246427 949036905 /nfs/dbraw/zinc/03/69/05/949036905.db2.gz GJUJYPPOIDKTCE-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574926988 949038052 /nfs/dbraw/zinc/03/80/52/949038052.db2.gz DZHPVUDODXGMOQ-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574926988 949038069 /nfs/dbraw/zinc/03/80/69/949038069.db2.gz DZHPVUDODXGMOQ-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574927226 949039616 /nfs/dbraw/zinc/03/96/16/949039616.db2.gz HUBUILXZKVNVHD-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574927226 949039637 /nfs/dbraw/zinc/03/96/37/949039637.db2.gz HUBUILXZKVNVHD-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575246597 949041290 /nfs/dbraw/zinc/04/12/90/949041290.db2.gz HBPJIZIWRBWNDJ-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575246597 949041312 /nfs/dbraw/zinc/04/13/12/949041312.db2.gz HBPJIZIWRBWNDJ-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574440919 949043037 /nfs/dbraw/zinc/04/30/37/949043037.db2.gz YQYRHVGERLCYIK-SNVBAGLBSA-N -1 1 386.420 0.134 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575247521 949044063 /nfs/dbraw/zinc/04/40/63/949044063.db2.gz JIWVHVXFBVPAOW-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575247521 949044082 /nfs/dbraw/zinc/04/40/82/949044082.db2.gz JIWVHVXFBVPAOW-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574927534 949044685 /nfs/dbraw/zinc/04/46/85/949044685.db2.gz JVMPGNJONQFRPQ-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574927534 949044674 /nfs/dbraw/zinc/04/46/74/949044674.db2.gz JVMPGNJONQFRPQ-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575247122 949046217 /nfs/dbraw/zinc/04/62/17/949046217.db2.gz IJDMSDHJYCIEPE-QWRGUYRKSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575247122 949046234 /nfs/dbraw/zinc/04/62/34/949046234.db2.gz IJDMSDHJYCIEPE-QWRGUYRKSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCC(=O)N(C)C ZINC001574693167 949048784 /nfs/dbraw/zinc/04/87/84/949048784.db2.gz BHNNPAKRMGFGRE-LLVKDONJSA-N -1 1 375.437 0.222 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCC(=O)N(C)C ZINC001574693167 949048806 /nfs/dbraw/zinc/04/88/06/949048806.db2.gz BHNNPAKRMGFGRE-LLVKDONJSA-N -1 1 375.437 0.222 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575503385 949049629 /nfs/dbraw/zinc/04/96/29/949049629.db2.gz PJMHMNCZZLPBQT-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575503385 949049649 /nfs/dbraw/zinc/04/96/49/949049649.db2.gz PJMHMNCZZLPBQT-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574927883 949051646 /nfs/dbraw/zinc/05/16/46/949051646.db2.gz MFPZAKHTJCZNGV-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574927883 949051663 /nfs/dbraw/zinc/05/16/63/949051663.db2.gz MFPZAKHTJCZNGV-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573779298 949057712 /nfs/dbraw/zinc/05/77/12/949057712.db2.gz GNWNMDBCOLLNGI-NSHDSACASA-N -1 1 382.432 0.300 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575503985 949058193 /nfs/dbraw/zinc/05/81/93/949058193.db2.gz QPVRMRLOEZOCJY-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575503985 949058208 /nfs/dbraw/zinc/05/82/08/949058208.db2.gz QPVRMRLOEZOCJY-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575248136 949058191 /nfs/dbraw/zinc/05/81/91/949058191.db2.gz ODZNVDGKIWIPHC-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575248136 949058174 /nfs/dbraw/zinc/05/81/74/949058174.db2.gz ODZNVDGKIWIPHC-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573779430 949058552 /nfs/dbraw/zinc/05/85/52/949058552.db2.gz HTSMEHXGNLRRAT-HNNXBMFYSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573779430 949058569 /nfs/dbraw/zinc/05/85/69/949058569.db2.gz HTSMEHXGNLRRAT-HNNXBMFYSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575504073 949058931 /nfs/dbraw/zinc/05/89/31/949058931.db2.gz ROZORROJGBGMRG-NSHDSACASA-N -1 1 381.400 0.002 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574441452 949058864 /nfs/dbraw/zinc/05/88/64/949058864.db2.gz LCLURMQPPSYSDA-LLVKDONJSA-N -1 1 386.416 0.340 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573779297 949059478 /nfs/dbraw/zinc/05/94/78/949059478.db2.gz GNWNMDBCOLLNGI-LLVKDONJSA-N -1 1 382.432 0.300 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574441605 949065903 /nfs/dbraw/zinc/06/59/03/949065903.db2.gz OZOPXOPKVYTUGJ-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574441605 949065918 /nfs/dbraw/zinc/06/59/18/949065918.db2.gz OZOPXOPKVYTUGJ-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574928975 949066115 /nfs/dbraw/zinc/06/61/15/949066115.db2.gz UVHDTWPFYJCTNO-LLVKDONJSA-N -1 1 381.400 0.003 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574928975 949066130 /nfs/dbraw/zinc/06/61/30/949066130.db2.gz UVHDTWPFYJCTNO-LLVKDONJSA-N -1 1 381.400 0.003 20 0 GCADMM CC(C)c1occc1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001574441652 949066555 /nfs/dbraw/zinc/06/65/55/949066555.db2.gz RCANGFQMECDKMI-UHFFFAOYSA-N -1 1 386.416 0.342 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574092603 949067066 /nfs/dbraw/zinc/06/70/66/949067066.db2.gz OYAVFQWPGHNFHH-CHWSQXEVSA-N -1 1 386.460 0.448 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575504450 949076029 /nfs/dbraw/zinc/07/60/29/949076029.db2.gz UUTIYCNVUUXQHJ-RYUDHWBXSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575504450 949076046 /nfs/dbraw/zinc/07/60/46/949076046.db2.gz UUTIYCNVUUXQHJ-RYUDHWBXSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575504734 949081599 /nfs/dbraw/zinc/08/15/99/949081599.db2.gz WXHURRCQWGBMRA-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575504734 949081614 /nfs/dbraw/zinc/08/16/14/949081614.db2.gz WXHURRCQWGBMRA-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575504733 949083755 /nfs/dbraw/zinc/08/37/55/949083755.db2.gz WXHURRCQWGBMRA-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575504733 949083773 /nfs/dbraw/zinc/08/37/73/949083773.db2.gz WXHURRCQWGBMRA-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574694675 949088273 /nfs/dbraw/zinc/08/82/73/949088273.db2.gz UGSOOIBXACEBCP-LBPRGKRZSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575504956 949098217 /nfs/dbraw/zinc/09/82/17/949098217.db2.gz ZVQLNZISYWGGSW-VXGBXAGGSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575504956 949098234 /nfs/dbraw/zinc/09/82/34/949098234.db2.gz ZVQLNZISYWGGSW-VXGBXAGGSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574929732 949099449 /nfs/dbraw/zinc/09/94/49/949099449.db2.gz GZXWTOGKCNVAPE-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574929732 949099466 /nfs/dbraw/zinc/09/94/66/949099466.db2.gz GZXWTOGKCNVAPE-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575249609 949101596 /nfs/dbraw/zinc/10/15/96/949101596.db2.gz ZGLYCJCFALXBPI-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575249609 949101608 /nfs/dbraw/zinc/10/16/08/949101608.db2.gz ZGLYCJCFALXBPI-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575249619 949103687 /nfs/dbraw/zinc/10/36/87/949103687.db2.gz ZNEJBHWDWVUBHX-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575249619 949103681 /nfs/dbraw/zinc/10/36/81/949103681.db2.gz ZNEJBHWDWVUBHX-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001574695353 949109134 /nfs/dbraw/zinc/10/91/34/949109134.db2.gz GCXFNDMLLGBYRZ-PIGZYNQJSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001574695353 949109152 /nfs/dbraw/zinc/10/91/52/949109152.db2.gz GCXFNDMLLGBYRZ-PIGZYNQJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(F)F ZINC001573781475 949109235 /nfs/dbraw/zinc/10/92/35/949109235.db2.gz HQCXCQSKGGAEGZ-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574093606 949110685 /nfs/dbraw/zinc/11/06/85/949110685.db2.gz WNDUCGXSLWSYGE-ZIAGYGMSSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574093606 949110702 /nfs/dbraw/zinc/11/07/02/949110702.db2.gz WNDUCGXSLWSYGE-ZIAGYGMSSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(F)F ZINC001573781679 949111363 /nfs/dbraw/zinc/11/13/63/949111363.db2.gz MCGZSNGOWXKVCL-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(F)F ZINC001573781679 949111377 /nfs/dbraw/zinc/11/13/77/949111377.db2.gz MCGZSNGOWXKVCL-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573782377 949119367 /nfs/dbraw/zinc/11/93/67/949119367.db2.gz TXFWYMAOCRVTRQ-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573782377 949119377 /nfs/dbraw/zinc/11/93/77/949119377.db2.gz TXFWYMAOCRVTRQ-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001574695865 949119458 /nfs/dbraw/zinc/11/94/58/949119458.db2.gz KOKGNFQNTLGPPW-LURJTMIESA-N -1 1 387.857 0.342 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001574695865 949119463 /nfs/dbraw/zinc/11/94/63/949119463.db2.gz KOKGNFQNTLGPPW-LURJTMIESA-N -1 1 387.857 0.342 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574446266 949123607 /nfs/dbraw/zinc/12/36/07/949123607.db2.gz MEAWHKLIVSRODS-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574446266 949123620 /nfs/dbraw/zinc/12/36/20/949123620.db2.gz MEAWHKLIVSRODS-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573782723 949127899 /nfs/dbraw/zinc/12/78/99/949127899.db2.gz WDWDVPZDPLPJQI-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573782723 949127912 /nfs/dbraw/zinc/12/79/12/949127912.db2.gz WDWDVPZDPLPJQI-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCCO1 ZINC001573782775 949132326 /nfs/dbraw/zinc/13/23/26/949132326.db2.gz JIMCRQOJENTAAJ-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCCO1 ZINC001573782775 949132335 /nfs/dbraw/zinc/13/23/35/949132335.db2.gz JIMCRQOJENTAAJ-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573782755 949133058 /nfs/dbraw/zinc/13/30/58/949133058.db2.gz XSUGFFPWVNEVBZ-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574696613 949135081 /nfs/dbraw/zinc/13/50/81/949135081.db2.gz SFZRWHZEQWWHBR-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574696613 949135096 /nfs/dbraw/zinc/13/50/96/949135096.db2.gz SFZRWHZEQWWHBR-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574094444 949136435 /nfs/dbraw/zinc/13/64/35/949136435.db2.gz WBXLXWFGUWTEBR-ZIAGYGMSSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2n1CCCC2 ZINC001574697049 949146594 /nfs/dbraw/zinc/14/65/94/949146594.db2.gz XRJJJOZSKQDGCZ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2n1CCCC2 ZINC001574697049 949146600 /nfs/dbraw/zinc/14/66/00/949146600.db2.gz XRJJJOZSKQDGCZ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncc2ccccn21 ZINC001574697190 949149480 /nfs/dbraw/zinc/14/94/80/949149480.db2.gz ZUQRRGWTBJQAFS-LLVKDONJSA-N -1 1 378.400 0.925 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncc2ccccn21 ZINC001574697190 949149498 /nfs/dbraw/zinc/14/94/98/949149498.db2.gz ZUQRRGWTBJQAFS-LLVKDONJSA-N -1 1 378.400 0.925 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574697092 949152051 /nfs/dbraw/zinc/15/20/51/949152051.db2.gz YURBOAMVJVQMNF-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574697092 949152064 /nfs/dbraw/zinc/15/20/64/949152064.db2.gz YURBOAMVJVQMNF-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM CC(C)c1ocnc1C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574447139 949153049 /nfs/dbraw/zinc/15/30/49/949153049.db2.gz HSDNYYQNEDJSFN-UHFFFAOYSA-N -1 1 383.416 0.811 20 0 GCADMM CC(C)c1ocnc1C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574447153 949154107 /nfs/dbraw/zinc/15/41/07/949154107.db2.gz IQCPCPLTFWGUPT-UHFFFAOYSA-N -1 1 383.416 0.811 20 0 GCADMM CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574447321 949158227 /nfs/dbraw/zinc/15/82/27/949158227.db2.gz KZZXQLINYVSABO-NSHDSACASA-N -1 1 383.416 0.907 20 0 GCADMM C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574934380 949160649 /nfs/dbraw/zinc/16/06/49/949160649.db2.gz GTOVVDWGVDTPHN-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574934380 949160660 /nfs/dbraw/zinc/16/06/60/949160660.db2.gz GTOVVDWGVDTPHN-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934526 949162401 /nfs/dbraw/zinc/16/24/01/949162401.db2.gz KGDGIIMUHRSXFM-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934526 949162416 /nfs/dbraw/zinc/16/24/16/949162416.db2.gz KGDGIIMUHRSXFM-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574697959 949167013 /nfs/dbraw/zinc/16/70/13/949167013.db2.gz DNKLDWNSCATNAM-OCCSQVGLSA-N -1 1 384.419 0.918 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698059 949172814 /nfs/dbraw/zinc/17/28/14/949172814.db2.gz FQHSNYOMOKROTG-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698059 949172824 /nfs/dbraw/zinc/17/28/24/949172824.db2.gz FQHSNYOMOKROTG-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573787332 949174149 /nfs/dbraw/zinc/17/41/49/949174149.db2.gz UCYRXDJCESWVEQ-BETUJISGSA-N -1 1 379.428 0.511 20 0 GCADMM C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934755 949174527 /nfs/dbraw/zinc/17/45/27/949174527.db2.gz PXMRNWPSMFBHJC-SNVBAGLBSA-N -1 1 388.819 0.728 20 0 GCADMM CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574448301 949181822 /nfs/dbraw/zinc/18/18/22/949181822.db2.gz HPTWZOUPEWUJFV-LLVKDONJSA-N -1 1 383.416 0.907 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574698247 949184296 /nfs/dbraw/zinc/18/42/96/949184296.db2.gz HQQNRBYSPLTBNC-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574698247 949184315 /nfs/dbraw/zinc/18/43/15/949184315.db2.gz HQQNRBYSPLTBNC-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574449888 949202697 /nfs/dbraw/zinc/20/26/97/949202697.db2.gz UUILDYLUCBUNJH-PWSUYJOCSA-N -1 1 383.416 0.763 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCn2cncn2)CC1 ZINC001575853247 949210389 /nfs/dbraw/zinc/21/03/89/949210389.db2.gz NYAMHQBZIQTDIK-UHFFFAOYSA-N -1 1 383.420 0.132 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCn2cncn2)CC1 ZINC001575853247 949210409 /nfs/dbraw/zinc/21/04/09/949210409.db2.gz NYAMHQBZIQTDIK-UHFFFAOYSA-N -1 1 383.420 0.132 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698876 949213646 /nfs/dbraw/zinc/21/36/46/949213646.db2.gz PSGGKGWMJAOYOW-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698876 949213664 /nfs/dbraw/zinc/21/36/64/949213664.db2.gz PSGGKGWMJAOYOW-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573788813 949214750 /nfs/dbraw/zinc/21/47/50/949214750.db2.gz YPACITJNXSZZQW-WDEREUQCSA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573788813 949214770 /nfs/dbraw/zinc/21/47/70/949214770.db2.gz YPACITJNXSZZQW-WDEREUQCSA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574451175 949215891 /nfs/dbraw/zinc/21/58/91/949215891.db2.gz FYBKIVOZOLRKSG-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574451175 949215912 /nfs/dbraw/zinc/21/59/12/949215912.db2.gz FYBKIVOZOLRKSG-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575254768 949216850 /nfs/dbraw/zinc/21/68/50/949216850.db2.gz XQCAKFFSNLHHCI-MXWKQRLJSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575254768 949216870 /nfs/dbraw/zinc/21/68/70/949216870.db2.gz XQCAKFFSNLHHCI-MXWKQRLJSA-N -1 1 387.448 0.267 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574451160 949218534 /nfs/dbraw/zinc/21/85/34/949218534.db2.gz FJKFRHNBKJEJGT-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574451160 949218562 /nfs/dbraw/zinc/21/85/62/949218562.db2.gz FJKFRHNBKJEJGT-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574936813 949219562 /nfs/dbraw/zinc/21/95/62/949219562.db2.gz LCIAZHDNOUBDSM-JTQLQIEISA-N -1 1 383.416 0.351 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574937337 949225415 /nfs/dbraw/zinc/22/54/15/949225415.db2.gz ONNZGAZOHYHHKJ-SNVBAGLBSA-N -1 1 388.382 0.764 20 0 GCADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001575854096 949229744 /nfs/dbraw/zinc/22/97/44/949229744.db2.gz SKUBQRWNMUTCSY-UHFFFAOYSA-N -1 1 381.400 0.397 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001575854096 949229776 /nfs/dbraw/zinc/22/97/76/949229776.db2.gz SKUBQRWNMUTCSY-UHFFFAOYSA-N -1 1 381.400 0.397 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574937784 949231952 /nfs/dbraw/zinc/23/19/52/949231952.db2.gz QNELXJDBERCFPX-SNVBAGLBSA-N -1 1 383.416 0.929 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574937784 949231972 /nfs/dbraw/zinc/23/19/72/949231972.db2.gz QNELXJDBERCFPX-SNVBAGLBSA-N -1 1 383.416 0.929 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574451700 949235585 /nfs/dbraw/zinc/23/55/85/949235585.db2.gz UYSNBVGYFDFCLL-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574451700 949235605 /nfs/dbraw/zinc/23/56/05/949235605.db2.gz UYSNBVGYFDFCLL-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574938116 949237886 /nfs/dbraw/zinc/23/78/86/949237886.db2.gz SFACTOMZVMGNEM-SNVBAGLBSA-N -1 1 383.416 0.706 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574938116 949237908 /nfs/dbraw/zinc/23/79/08/949237908.db2.gz SFACTOMZVMGNEM-SNVBAGLBSA-N -1 1 383.416 0.706 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574451699 949240163 /nfs/dbraw/zinc/24/01/63/949240163.db2.gz UYSNBVGYFDFCLL-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574451699 949240180 /nfs/dbraw/zinc/24/01/80/949240180.db2.gz UYSNBVGYFDFCLL-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574103362 949243363 /nfs/dbraw/zinc/24/33/63/949243363.db2.gz QTQMWCIEANXMRP-FZKQIMNGSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574103362 949243380 /nfs/dbraw/zinc/24/33/80/949243380.db2.gz QTQMWCIEANXMRP-FZKQIMNGSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574938633 949249544 /nfs/dbraw/zinc/24/95/44/949249544.db2.gz XVRCEPDMXCWRRT-QMMMGPOBSA-N -1 1 378.849 0.953 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574451981 949251629 /nfs/dbraw/zinc/25/16/29/949251629.db2.gz CYKBEDDZLAXIGO-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574451981 949251648 /nfs/dbraw/zinc/25/16/48/949251648.db2.gz CYKBEDDZLAXIGO-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)(C)C(=O)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573792565 949252511 /nfs/dbraw/zinc/25/25/11/949252511.db2.gz AQLGYIKMCJAUEA-NEPJUHHUSA-N -1 1 384.444 0.557 20 0 GCADMM CC(C)(C)C(=O)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573792565 949252532 /nfs/dbraw/zinc/25/25/32/949252532.db2.gz AQLGYIKMCJAUEA-NEPJUHHUSA-N -1 1 384.444 0.557 20 0 GCADMM C[C@@]1(c2cccc(CNC(=O)c3csc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC001575856708 949255605 /nfs/dbraw/zinc/25/56/05/949255605.db2.gz IXKZBAKSKPVANH-KRWDZBQOSA-N -1 1 397.420 0.913 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)[C@H]1C ZINC001576152719 949256965 /nfs/dbraw/zinc/25/69/65/949256965.db2.gz KMDUYNFOTBPTFT-GBIKHYSHSA-N -1 1 388.432 0.520 20 0 GCADMM CC(C)n1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574453022 949281286 /nfs/dbraw/zinc/28/12/86/949281286.db2.gz WBRVZZDUCTXASQ-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574940914 949285883 /nfs/dbraw/zinc/28/58/83/949285883.db2.gz MHKNTKUOHYJKPO-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574940914 949285906 /nfs/dbraw/zinc/28/59/06/949285906.db2.gz MHKNTKUOHYJKPO-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574453204 949286278 /nfs/dbraw/zinc/28/62/78/949286278.db2.gz ZLAVXRGVAJYIDW-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941227 949292972 /nfs/dbraw/zinc/29/29/72/949292972.db2.gz POWQVNJVVIVSAJ-GFCCVEGCSA-N -1 1 378.440 0.727 20 0 GCADMM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574941201 949296383 /nfs/dbraw/zinc/29/63/83/949296383.db2.gz BPPBJRYLVXBWIL-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575258449 949302364 /nfs/dbraw/zinc/30/23/64/949302364.db2.gz HRCIHGNQPGOREG-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575258449 949302385 /nfs/dbraw/zinc/30/23/85/949302385.db2.gz HRCIHGNQPGOREG-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574941489 949304290 /nfs/dbraw/zinc/30/42/90/949304290.db2.gz DVNHSCRIXXCTKV-GFCCVEGCSA-N -1 1 384.448 0.841 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574941489 949304317 /nfs/dbraw/zinc/30/43/17/949304317.db2.gz DVNHSCRIXXCTKV-GFCCVEGCSA-N -1 1 384.448 0.841 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575258868 949310633 /nfs/dbraw/zinc/31/06/33/949310633.db2.gz LMDXDLSKMCSAJU-NEPJUHHUSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575258868 949310655 /nfs/dbraw/zinc/31/06/55/949310655.db2.gz LMDXDLSKMCSAJU-NEPJUHHUSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575259151 949319505 /nfs/dbraw/zinc/31/95/05/949319505.db2.gz MRKDAOUEVXCCKM-NWDGAFQWSA-N -1 1 386.416 0.266 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC001574457321 949322274 /nfs/dbraw/zinc/32/22/74/949322274.db2.gz GIVFPMQDWGHWSH-CYBMUJFWSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574457350 949325625 /nfs/dbraw/zinc/32/56/25/949325625.db2.gz IKZNKFVDCDNWQP-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574457350 949325645 /nfs/dbraw/zinc/32/56/45/949325645.db2.gz IKZNKFVDCDNWQP-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574458180 949337186 /nfs/dbraw/zinc/33/71/86/949337186.db2.gz QIJFMKUCYVZJFB-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574458180 949337213 /nfs/dbraw/zinc/33/72/13/949337213.db2.gz QIJFMKUCYVZJFB-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC001574458289 949342495 /nfs/dbraw/zinc/34/24/95/949342495.db2.gz RWOVLVXFLQWTCH-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573798371 949348184 /nfs/dbraw/zinc/34/81/84/949348184.db2.gz APENEEXFYDPWRO-UHFFFAOYSA-N -1 1 391.501 0.735 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575260931 949368111 /nfs/dbraw/zinc/36/81/11/949368111.db2.gz YORSIIYGKJEJJU-OCCSQVGLSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575260931 949368132 /nfs/dbraw/zinc/36/81/32/949368132.db2.gz YORSIIYGKJEJJU-OCCSQVGLSA-N -1 1 384.444 0.725 20 0 GCADMM CC(C)n1ccc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)n1 ZINC001574459905 949368392 /nfs/dbraw/zinc/36/83/92/949368392.db2.gz OZMRFXDIYFLPTK-UHFFFAOYSA-N -1 1 386.420 0.385 20 0 GCADMM CC(C)n1ccc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)n1 ZINC001574459905 949368414 /nfs/dbraw/zinc/36/84/14/949368414.db2.gz OZMRFXDIYFLPTK-UHFFFAOYSA-N -1 1 386.420 0.385 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573799340 949369821 /nfs/dbraw/zinc/36/98/21/949369821.db2.gz LLGACEXYUTVTBX-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573799340 949369844 /nfs/dbraw/zinc/36/98/44/949369844.db2.gz LLGACEXYUTVTBX-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CNC(=O)Cc1ccn(C)n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574943031 949372343 /nfs/dbraw/zinc/37/23/43/949372343.db2.gz VHBFMYXAQZIKHV-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573799563 949374413 /nfs/dbraw/zinc/37/44/13/949374413.db2.gz NOAJSDUNFBNVDR-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573799563 949374426 /nfs/dbraw/zinc/37/44/26/949374426.db2.gz NOAJSDUNFBNVDR-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574460651 949375213 /nfs/dbraw/zinc/37/52/13/949375213.db2.gz VVVIOPQYEQXYOZ-GFCCVEGCSA-N -1 1 385.432 0.006 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574460658 949376952 /nfs/dbraw/zinc/37/69/52/949376952.db2.gz WALFRYPGYWGFCW-UHFFFAOYSA-N -1 1 384.448 0.571 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574460658 949376976 /nfs/dbraw/zinc/37/69/76/949376976.db2.gz WALFRYPGYWGFCW-UHFFFAOYSA-N -1 1 384.448 0.571 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574460421 949379602 /nfs/dbraw/zinc/37/96/02/949379602.db2.gz UNZJYPYHXYXIQT-JOCQHMNTSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574460421 949379625 /nfs/dbraw/zinc/37/96/25/949379625.db2.gz UNZJYPYHXYXIQT-JOCQHMNTSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573799986 949382058 /nfs/dbraw/zinc/38/20/58/949382058.db2.gz SRFJJSQLCPWURT-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573799986 949382079 /nfs/dbraw/zinc/38/20/79/949382079.db2.gz SRFJJSQLCPWURT-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574460951 949383304 /nfs/dbraw/zinc/38/33/04/949383304.db2.gz ZNMVIWVCMZSXCX-ZDUSSCGKSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574460951 949383326 /nfs/dbraw/zinc/38/33/26/949383326.db2.gz ZNMVIWVCMZSXCX-ZDUSSCGKSA-N -1 1 382.432 0.372 20 0 GCADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575527994 949387468 /nfs/dbraw/zinc/38/74/68/949387468.db2.gz KTIFLTXTXDQVRM-KZULUSFZSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704550 949393226 /nfs/dbraw/zinc/39/32/26/949393226.db2.gz OQKZZRHLPQEPBR-LBPRGKRZSA-N -1 1 379.428 0.464 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574463999 949393379 /nfs/dbraw/zinc/39/33/79/949393379.db2.gz DUJJECIRHRLUCD-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574463999 949393401 /nfs/dbraw/zinc/39/34/01/949393401.db2.gz DUJJECIRHRLUCD-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574463974 949394421 /nfs/dbraw/zinc/39/44/21/949394421.db2.gz DEFNDYGCDMWFTM-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574463994 949395137 /nfs/dbraw/zinc/39/51/37/949395137.db2.gz DUFWXDOGEVJPBR-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574463994 949395155 /nfs/dbraw/zinc/39/51/55/949395155.db2.gz DUFWXDOGEVJPBR-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001574464167 949396460 /nfs/dbraw/zinc/39/64/60/949396460.db2.gz HSTQDMFCAHHFCS-LBPRGKRZSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464150 949398662 /nfs/dbraw/zinc/39/86/62/949398662.db2.gz HESBZADXIVXFGF-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575528686 949407898 /nfs/dbraw/zinc/40/78/98/949407898.db2.gz ZMYYSCZSDSSIIH-BETUJISGSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574464331 949408349 /nfs/dbraw/zinc/40/83/49/949408349.db2.gz KXSGIPNHYMXPAP-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464331 949408366 /nfs/dbraw/zinc/40/83/66/949408366.db2.gz KXSGIPNHYMXPAP-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464307 949408393 /nfs/dbraw/zinc/40/83/93/949408393.db2.gz JRLHVJXBHZHACP-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001574464382 949412991 /nfs/dbraw/zinc/41/29/91/949412991.db2.gz NCPXCUQKAHZDFK-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001574464382 949413008 /nfs/dbraw/zinc/41/30/08/949413008.db2.gz NCPXCUQKAHZDFK-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574464607 949420058 /nfs/dbraw/zinc/42/00/58/949420058.db2.gz OAYDGSOFCALZKS-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574464607 949420070 /nfs/dbraw/zinc/42/00/70/949420070.db2.gz OAYDGSOFCALZKS-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575264196 949421816 /nfs/dbraw/zinc/42/18/16/949421816.db2.gz MUFOCLWUXADKAR-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575264196 949421831 /nfs/dbraw/zinc/42/18/31/949421831.db2.gz MUFOCLWUXADKAR-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575264519 949426383 /nfs/dbraw/zinc/42/63/83/949426383.db2.gz OANCBPVYVHXTOH-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575264519 949426397 /nfs/dbraw/zinc/42/63/97/949426397.db2.gz OANCBPVYVHXTOH-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575264568 949429420 /nfs/dbraw/zinc/42/94/20/949429420.db2.gz OYOMIVHZVFFVEF-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575264568 949429434 /nfs/dbraw/zinc/42/94/34/949429434.db2.gz OYOMIVHZVFFVEF-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574946325 949433405 /nfs/dbraw/zinc/43/34/05/949433405.db2.gz UYHWQGXFPNIMEF-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574946325 949433425 /nfs/dbraw/zinc/43/34/25/949433425.db2.gz UYHWQGXFPNIMEF-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574947548 949447064 /nfs/dbraw/zinc/44/70/64/949447064.db2.gz BZYPIZHICNECIK-LLVKDONJSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574947548 949447084 /nfs/dbraw/zinc/44/70/84/949447084.db2.gz BZYPIZHICNECIK-LLVKDONJSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001575265272 949447562 /nfs/dbraw/zinc/44/75/62/949447562.db2.gz SUEFEFNVZDATRU-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001575265272 949447574 /nfs/dbraw/zinc/44/75/74/949447574.db2.gz SUEFEFNVZDATRU-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574706075 949448456 /nfs/dbraw/zinc/44/84/56/949448456.db2.gz XAJNZJJKWKWMNX-IPALMDDQSA-N -1 1 390.451 0.923 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574468049 949451059 /nfs/dbraw/zinc/45/10/59/949451059.db2.gz GDUDCRIRKYLSFU-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574468049 949451078 /nfs/dbraw/zinc/45/10/78/949451078.db2.gz GDUDCRIRKYLSFU-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574468048 949452569 /nfs/dbraw/zinc/45/25/69/949452569.db2.gz GDUDCRIRKYLSFU-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574468048 949452580 /nfs/dbraw/zinc/45/25/80/949452580.db2.gz GDUDCRIRKYLSFU-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575265909 949463202 /nfs/dbraw/zinc/46/32/02/949463202.db2.gz VWGNTETXTKFVRU-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575265909 949463217 /nfs/dbraw/zinc/46/32/17/949463217.db2.gz VWGNTETXTKFVRU-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574468813 949466153 /nfs/dbraw/zinc/46/61/53/949466153.db2.gz SHEOQTRCZCPVNT-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574468813 949466170 /nfs/dbraw/zinc/46/61/70/949466170.db2.gz SHEOQTRCZCPVNT-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1ncc(C(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)c1Cl ZINC001574468568 949469465 /nfs/dbraw/zinc/46/94/65/949469465.db2.gz PXECEURBMCSRNO-UHFFFAOYSA-N -1 1 390.839 0.954 20 0 GCADMM CC(C)n1ncc(C(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)c1Cl ZINC001574468568 949469482 /nfs/dbraw/zinc/46/94/82/949469482.db2.gz PXECEURBMCSRNO-UHFFFAOYSA-N -1 1 390.839 0.954 20 0 GCADMM C[C@@H]1CCC[C@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H]1C ZINC001576157266 949477024 /nfs/dbraw/zinc/47/70/24/949477024.db2.gz ZVKJSIBJBFCDAN-IJLUTSLNSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574469391 949482588 /nfs/dbraw/zinc/48/25/88/949482588.db2.gz CRQDBKKCSLYPND-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574469391 949482605 /nfs/dbraw/zinc/48/26/05/949482605.db2.gz CRQDBKKCSLYPND-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574949049 949482789 /nfs/dbraw/zinc/48/27/89/949482789.db2.gz PWEVMUOYSIJVQC-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574949049 949482804 /nfs/dbraw/zinc/48/28/04/949482804.db2.gz PWEVMUOYSIJVQC-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnon1 ZINC001576157343 949483667 /nfs/dbraw/zinc/48/36/67/949483667.db2.gz PWTNKURRMGIHHH-HWPZZCPQSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnon1 ZINC001576157343 949483676 /nfs/dbraw/zinc/48/36/76/949483676.db2.gz PWTNKURRMGIHHH-HWPZZCPQSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575870285 949484153 /nfs/dbraw/zinc/48/41/53/949484153.db2.gz UHMSSIUAVORNLR-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575870285 949484168 /nfs/dbraw/zinc/48/41/68/949484168.db2.gz UHMSSIUAVORNLR-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575536989 949484338 /nfs/dbraw/zinc/48/43/38/949484338.db2.gz PSFSHDLHNPGMAO-UHFFFAOYSA-N -1 1 378.387 0.917 20 0 GCADMM CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574469825 949485762 /nfs/dbraw/zinc/48/57/62/949485762.db2.gz HSSNGIZRKXHSEI-VXGBXAGGSA-N -1 1 382.432 0.429 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574117993 949488510 /nfs/dbraw/zinc/48/85/10/949488510.db2.gz COBIMTDVQVOCNU-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574117993 949488525 /nfs/dbraw/zinc/48/85/25/949488525.db2.gz COBIMTDVQVOCNU-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574118274 949489595 /nfs/dbraw/zinc/48/95/95/949489595.db2.gz DAZFCGLVPZVMLK-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574118274 949489608 /nfs/dbraw/zinc/48/96/08/949489608.db2.gz DAZFCGLVPZVMLK-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1nccc1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574470391 949497589 /nfs/dbraw/zinc/49/75/89/949497589.db2.gz OSESLARGSRBBFH-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574470391 949497606 /nfs/dbraw/zinc/49/76/06/949497606.db2.gz OSESLARGSRBBFH-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574470474 949501546 /nfs/dbraw/zinc/50/15/46/949501546.db2.gz SJHDPHZFWTVQBG-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574470474 949501561 /nfs/dbraw/zinc/50/15/61/949501561.db2.gz SJHDPHZFWTVQBG-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@]1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575537788 949505035 /nfs/dbraw/zinc/50/50/35/949505035.db2.gz XTBJEUFUTSBBMW-XOBRGWDASA-N -1 1 390.451 0.996 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574949710 949504865 /nfs/dbraw/zinc/50/48/65/949504865.db2.gz BCEXAJFBUFEADC-BQBZGAKWSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574949710 949504875 /nfs/dbraw/zinc/50/48/75/949504875.db2.gz BCEXAJFBUFEADC-BQBZGAKWSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159032 949510057 /nfs/dbraw/zinc/51/00/57/949510057.db2.gz VYRCGYLPUKFXMH-DIFFPNOSSA-N -1 1 382.432 0.593 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710883 949515322 /nfs/dbraw/zinc/51/53/22/949515322.db2.gz BSOCERGJRKFBHY-AAEUAGOBSA-N -1 1 379.428 0.462 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871755 949519439 /nfs/dbraw/zinc/51/94/39/949519439.db2.gz BYGYIPIFTGYTTQ-NEPJUHHUSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871755 949519454 /nfs/dbraw/zinc/51/94/54/949519454.db2.gz BYGYIPIFTGYTTQ-NEPJUHHUSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871756 949521193 /nfs/dbraw/zinc/52/11/93/949521193.db2.gz BYGYIPIFTGYTTQ-NWDGAFQWSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871756 949521208 /nfs/dbraw/zinc/52/12/08/949521208.db2.gz BYGYIPIFTGYTTQ-NWDGAFQWSA-N -1 1 388.432 0.283 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574122003 949523453 /nfs/dbraw/zinc/52/34/53/949523453.db2.gz SMLKMUKPSMHYLY-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574122003 949523477 /nfs/dbraw/zinc/52/34/77/949523477.db2.gz SMLKMUKPSMHYLY-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574123015 949536593 /nfs/dbraw/zinc/53/65/93/949536593.db2.gz AYZZVVNRYCFIND-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574123015 949536602 /nfs/dbraw/zinc/53/66/02/949536602.db2.gz AYZZVVNRYCFIND-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](C1CC1)n1cc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cn1 ZINC001574472157 949543723 /nfs/dbraw/zinc/54/37/23/949543723.db2.gz QTYIAVDOOKJDLP-SECBINFHSA-N -1 1 385.388 0.325 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576163894 949546708 /nfs/dbraw/zinc/54/67/08/949546708.db2.gz DGEGIRYCGNLLBZ-RYUDHWBXSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576163894 949546725 /nfs/dbraw/zinc/54/67/25/949546725.db2.gz DGEGIRYCGNLLBZ-RYUDHWBXSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711632 949547147 /nfs/dbraw/zinc/54/71/47/949547147.db2.gz JQOBCVMMKTVXTM-IINYFYTJSA-N -1 1 382.403 0.816 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574711575 949548279 /nfs/dbraw/zinc/54/82/79/949548279.db2.gz JKKPZMBBUIZWLO-WDSKDSINSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574711575 949548297 /nfs/dbraw/zinc/54/82/97/949548297.db2.gz JKKPZMBBUIZWLO-WDSKDSINSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574472341 949548369 /nfs/dbraw/zinc/54/83/69/949548369.db2.gz SOFOMZDUWVPPGL-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574472341 949548386 /nfs/dbraw/zinc/54/83/86/949548386.db2.gz SOFOMZDUWVPPGL-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574951282 949553315 /nfs/dbraw/zinc/55/33/15/949553315.db2.gz YFMRCVYOAQJFKM-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574951282 949553334 /nfs/dbraw/zinc/55/33/34/949553334.db2.gz YFMRCVYOAQJFKM-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164566 949559394 /nfs/dbraw/zinc/55/93/94/949559394.db2.gz HKWHCALRVKYIMS-KGLIPLIRSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574712010 949568303 /nfs/dbraw/zinc/56/83/03/949568303.db2.gz POVXDGJLDXFZIU-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574712010 949568312 /nfs/dbraw/zinc/56/83/12/949568312.db2.gz POVXDGJLDXFZIU-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574124385 949570332 /nfs/dbraw/zinc/57/03/32/949570332.db2.gz GAPVRKPGMXYPTC-OXHZDVMGSA-N -1 1 399.459 0.030 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574124385 949570346 /nfs/dbraw/zinc/57/03/46/949570346.db2.gz GAPVRKPGMXYPTC-OXHZDVMGSA-N -1 1 399.459 0.030 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575270061 949570744 /nfs/dbraw/zinc/57/07/44/949570744.db2.gz ANEXRBHLBBBXOM-BQBZGAKWSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575270061 949570763 /nfs/dbraw/zinc/57/07/63/949570763.db2.gz ANEXRBHLBBBXOM-BQBZGAKWSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711991 949570596 /nfs/dbraw/zinc/57/05/96/949570596.db2.gz PDYFUTZHADJUFX-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711991 949570608 /nfs/dbraw/zinc/57/06/08/949570608.db2.gz PDYFUTZHADJUFX-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM CC1(C(=O)N2CCC[C@H](N(CCO)c3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001575540676 949572923 /nfs/dbraw/zinc/57/29/23/949572923.db2.gz ZBQPXHPMGPRMSC-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574124680 949576458 /nfs/dbraw/zinc/57/64/58/949576458.db2.gz JIZMYZQXTLFHQJ-NWDGAFQWSA-N -1 1 387.448 0.065 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574124680 949576475 /nfs/dbraw/zinc/57/64/75/949576475.db2.gz JIZMYZQXTLFHQJ-NWDGAFQWSA-N -1 1 387.448 0.065 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574124744 949581176 /nfs/dbraw/zinc/58/11/76/949581176.db2.gz LZFJUYACADGQHZ-LLVKDONJSA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574124744 949581189 /nfs/dbraw/zinc/58/11/89/949581189.db2.gz LZFJUYACADGQHZ-LLVKDONJSA-N -1 1 387.448 0.255 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712733 949583527 /nfs/dbraw/zinc/58/35/27/949583527.db2.gz UBKRTFPFFWIGBQ-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712733 949583546 /nfs/dbraw/zinc/58/35/46/949583546.db2.gz UBKRTFPFFWIGBQ-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574712685 949585532 /nfs/dbraw/zinc/58/55/32/949585532.db2.gz SXFQWNZHVCTEAJ-NKWVEPMBSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574712685 949585541 /nfs/dbraw/zinc/58/55/41/949585541.db2.gz SXFQWNZHVCTEAJ-NKWVEPMBSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270327 949585726 /nfs/dbraw/zinc/58/57/26/949585726.db2.gz ZHUIZZFFCIJVQR-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270327 949585746 /nfs/dbraw/zinc/58/57/46/949585746.db2.gz ZHUIZZFFCIJVQR-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM CC(C)C[C@@H](C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125468 949586796 /nfs/dbraw/zinc/58/67/96/949586796.db2.gz PUGIVZKFHBDJCA-ZDUSSCGKSA-N -1 1 384.448 0.481 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574125244 949587243 /nfs/dbraw/zinc/58/72/43/949587243.db2.gz PBZAFBIOYMZJLE-GHMZBOCLSA-N -1 1 375.437 0.063 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574125244 949587254 /nfs/dbraw/zinc/58/72/54/949587254.db2.gz PBZAFBIOYMZJLE-GHMZBOCLSA-N -1 1 375.437 0.063 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574125247 949587875 /nfs/dbraw/zinc/58/78/75/949587875.db2.gz PBZAFBIOYMZJLE-WDEREUQCSA-N -1 1 375.437 0.063 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574125247 949587889 /nfs/dbraw/zinc/58/78/89/949587889.db2.gz PBZAFBIOYMZJLE-WDEREUQCSA-N -1 1 375.437 0.063 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712910 949588542 /nfs/dbraw/zinc/58/85/42/949588542.db2.gz VEXKIKVHSGATLT-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1COCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574712882 949588758 /nfs/dbraw/zinc/58/87/58/949588758.db2.gz UWEBEGHWKSIBNO-SFYZADRCSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1COCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574712882 949588769 /nfs/dbraw/zinc/58/87/69/949588769.db2.gz UWEBEGHWKSIBNO-SFYZADRCSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712898 949589452 /nfs/dbraw/zinc/58/94/52/949589452.db2.gz VBFMYMNJZPYMAQ-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712898 949589464 /nfs/dbraw/zinc/58/94/64/949589464.db2.gz VBFMYMNJZPYMAQ-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712937 949594139 /nfs/dbraw/zinc/59/41/39/949594139.db2.gz VJGWHOACFCFUQL-AAEUAGOBSA-N -1 1 379.428 0.147 20 0 GCADMM CC(C)C[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125837 949597688 /nfs/dbraw/zinc/59/76/88/949597688.db2.gz SZXDAGNNUROOAU-CQSZACIVSA-N -1 1 384.448 0.693 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713254 949598151 /nfs/dbraw/zinc/59/81/51/949598151.db2.gz WQZYMJPGUMATMV-BXUZGUMPSA-N -1 1 380.412 0.341 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713260 949598345 /nfs/dbraw/zinc/59/83/45/949598345.db2.gz WQZYMJPGUMATMV-RISCZKNCSA-N -1 1 380.412 0.341 20 0 GCADMM CC(C)C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574126071 949599310 /nfs/dbraw/zinc/59/93/10/949599310.db2.gz YTSQVQBQVRHTIZ-CYBMUJFWSA-N -1 1 384.448 0.433 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575545473 949600188 /nfs/dbraw/zinc/60/01/88/949600188.db2.gz KWFLLNQUDKUYAP-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575545473 949600204 /nfs/dbraw/zinc/60/02/04/949600204.db2.gz KWFLLNQUDKUYAP-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574126058 949602656 /nfs/dbraw/zinc/60/26/56/949602656.db2.gz YBQXBTXYHPORNJ-CYBMUJFWSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574126058 949602662 /nfs/dbraw/zinc/60/26/62/949602662.db2.gz YBQXBTXYHPORNJ-CYBMUJFWSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713451 949602842 /nfs/dbraw/zinc/60/28/42/949602842.db2.gz XNMCHCWDVUHBGD-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H]1CCCC[C@@H]1CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576167282 949603292 /nfs/dbraw/zinc/60/32/92/949603292.db2.gz CAAFHJZFGIFVFX-GHMZBOCLSA-N -1 1 376.421 0.255 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574476501 949603566 /nfs/dbraw/zinc/60/35/66/949603566.db2.gz DFQVXDVVBDQWDN-ZDUSSCGKSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574476501 949603581 /nfs/dbraw/zinc/60/35/81/949603581.db2.gz DFQVXDVVBDQWDN-ZDUSSCGKSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574713447 949605653 /nfs/dbraw/zinc/60/56/53/949605653.db2.gz XNMBQMNLPXJLGO-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575546143 949609356 /nfs/dbraw/zinc/60/93/56/949609356.db2.gz PAPGSKRKQXZLCN-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575546143 949609368 /nfs/dbraw/zinc/60/93/68/949609368.db2.gz PAPGSKRKQXZLCN-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874364 949610001 /nfs/dbraw/zinc/61/00/01/949610001.db2.gz GCZYGHRKWXDROT-NXEZZACHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874364 949610017 /nfs/dbraw/zinc/61/00/17/949610017.db2.gz GCZYGHRKWXDROT-NXEZZACHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575546486 949612112 /nfs/dbraw/zinc/61/21/12/949612112.db2.gz QOCSVCBVTCTYCD-LBTNJELSSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575546486 949612124 /nfs/dbraw/zinc/61/21/24/949612124.db2.gz QOCSVCBVTCTYCD-LBTNJELSSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001574127697 949613656 /nfs/dbraw/zinc/61/36/56/949613656.db2.gz JBSMNAGLLANEGN-OCCSQVGLSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001574127697 949613670 /nfs/dbraw/zinc/61/36/70/949613670.db2.gz JBSMNAGLLANEGN-OCCSQVGLSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713828 949613901 /nfs/dbraw/zinc/61/39/01/949613901.db2.gz YFCARANRLIZYKJ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713828 949613914 /nfs/dbraw/zinc/61/39/14/949613914.db2.gz YFCARANRLIZYKJ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574713830 949614436 /nfs/dbraw/zinc/61/44/36/949614436.db2.gz YGDKDUMBTTWBCB-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575546859 949618226 /nfs/dbraw/zinc/61/82/26/949618226.db2.gz SFABBIOWHZSQTO-IYOUNJFTSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575546859 949618243 /nfs/dbraw/zinc/61/82/43/949618243.db2.gz SFABBIOWHZSQTO-IYOUNJFTSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575271538 949619782 /nfs/dbraw/zinc/61/97/82/949619782.db2.gz KMSLJPXEEPZFCR-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575271538 949619795 /nfs/dbraw/zinc/61/97/95/949619795.db2.gz KMSLJPXEEPZFCR-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574128102 949624306 /nfs/dbraw/zinc/62/43/06/949624306.db2.gz LCKCPCKIDVYDRP-ZDUSSCGKSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574128102 949624317 /nfs/dbraw/zinc/62/43/17/949624317.db2.gz LCKCPCKIDVYDRP-ZDUSSCGKSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001574476840 949624898 /nfs/dbraw/zinc/62/48/98/949624898.db2.gz HZDXAQZAUCLPLV-TZMCWYRMSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001574476840 949624914 /nfs/dbraw/zinc/62/49/14/949624914.db2.gz HZDXAQZAUCLPLV-TZMCWYRMSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575271769 949629715 /nfs/dbraw/zinc/62/97/15/949629715.db2.gz LWGLICUBNGBUQQ-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575271769 949629726 /nfs/dbraw/zinc/62/97/26/949629726.db2.gz LWGLICUBNGBUQQ-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574714809 949631983 /nfs/dbraw/zinc/63/19/83/949631983.db2.gz GFHPGAHRDPNZCH-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574714809 949631996 /nfs/dbraw/zinc/63/19/96/949631996.db2.gz GFHPGAHRDPNZCH-NEPJUHHUSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575272086 949632410 /nfs/dbraw/zinc/63/24/10/949632410.db2.gz NHRZUHJZEJATIA-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575272144 949637090 /nfs/dbraw/zinc/63/70/90/949637090.db2.gz NZNTVEIIUUNIJK-RNFRBKRXSA-N -1 1 386.869 0.937 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)COCC(F)F ZINC001573814247 949639066 /nfs/dbraw/zinc/63/90/66/949639066.db2.gz CGKZEHASCPPBRS-VIFPVBQESA-N -1 1 384.391 0.303 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574477169 949642291 /nfs/dbraw/zinc/64/22/91/949642291.db2.gz KWAHVNYIVRWBBY-VIFPVBQESA-N -1 1 388.354 0.478 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574477169 949642303 /nfs/dbraw/zinc/64/23/03/949642303.db2.gz KWAHVNYIVRWBBY-VIFPVBQESA-N -1 1 388.354 0.478 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573814703 949644142 /nfs/dbraw/zinc/64/41/42/949644142.db2.gz FAKRHIUNSXPQCS-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573814703 949644151 /nfs/dbraw/zinc/64/41/51/949644151.db2.gz FAKRHIUNSXPQCS-ZYHUDNBSSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574477312 949650694 /nfs/dbraw/zinc/65/06/94/949650694.db2.gz PYPRIMVCEMTGAK-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574477312 949650707 /nfs/dbraw/zinc/65/07/07/949650707.db2.gz PYPRIMVCEMTGAK-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccon1 ZINC001573815527 949652198 /nfs/dbraw/zinc/65/21/98/949652198.db2.gz IFNPNNSUGPTBHM-LBPRGKRZSA-N -1 1 385.432 0.642 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574715394 949652278 /nfs/dbraw/zinc/65/22/78/949652278.db2.gz BTOZFPRNFWDNSY-SSDOTTSWSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576168871 949654323 /nfs/dbraw/zinc/65/43/23/949654323.db2.gz CTUCCXJETRTPPM-WCQYABFASA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576168871 949654335 /nfs/dbraw/zinc/65/43/35/949654335.db2.gz CTUCCXJETRTPPM-WCQYABFASA-N -1 1 383.416 0.926 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001573815827 949655609 /nfs/dbraw/zinc/65/56/09/949655609.db2.gz KJAFGAWMGOLUGB-WXRRBKDZSA-N -1 1 388.476 0.573 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574958160 949656879 /nfs/dbraw/zinc/65/68/79/949656879.db2.gz MSAKFLPICNUFAO-RBXMUDONSA-N -1 1 383.865 0.810 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575272977 949656919 /nfs/dbraw/zinc/65/69/19/949656919.db2.gz TVZILJDZPBGBIC-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575272977 949656937 /nfs/dbraw/zinc/65/69/37/949656937.db2.gz TVZILJDZPBGBIC-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877179 949658724 /nfs/dbraw/zinc/65/87/24/949658724.db2.gz KZCDYESQTMFOMB-ZJUUUORDSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877179 949658736 /nfs/dbraw/zinc/65/87/36/949658736.db2.gz KZCDYESQTMFOMB-ZJUUUORDSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574477542 949661701 /nfs/dbraw/zinc/66/17/01/949661701.db2.gz SAWQZPVHAOFOKH-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574477542 949661713 /nfs/dbraw/zinc/66/17/13/949661713.db2.gz SAWQZPVHAOFOKH-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574958301 949665576 /nfs/dbraw/zinc/66/55/76/949665576.db2.gz OXNJFYKEEYHUQY-RITPCOANSA-N -1 1 387.857 0.198 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574958301 949665599 /nfs/dbraw/zinc/66/55/99/949665599.db2.gz OXNJFYKEEYHUQY-RITPCOANSA-N -1 1 387.857 0.198 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169132 949666197 /nfs/dbraw/zinc/66/61/97/949666197.db2.gz FNHYEPQDHXHORX-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169132 949666206 /nfs/dbraw/zinc/66/62/06/949666206.db2.gz FNHYEPQDHXHORX-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM CC(C)CC(C)(C)CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574131625 949666265 /nfs/dbraw/zinc/66/62/65/949666265.db2.gz IKBVHFQQNJKPAF-UHFFFAOYSA-N -1 1 378.437 0.501 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001576169159 949666692 /nfs/dbraw/zinc/66/66/92/949666692.db2.gz FSPLFYLUSRGYOR-LLVKDONJSA-N -1 1 398.514 0.996 20 0 GCADMM C[C@H](CC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574477555 949666982 /nfs/dbraw/zinc/66/69/82/949666982.db2.gz SBWJHZOFZBNGGJ-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](CC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574477555 949666990 /nfs/dbraw/zinc/66/69/90/949666990.db2.gz SBWJHZOFZBNGGJ-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574477620 949667220 /nfs/dbraw/zinc/66/72/20/949667220.db2.gz SOWJBOGIQWDLIX-VIFPVBQESA-N -1 1 378.462 0.018 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574958422 949669407 /nfs/dbraw/zinc/66/94/07/949669407.db2.gz JIOWPTSJYPOTHH-QJPTWQEYSA-N -1 1 382.432 0.135 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573816120 949670639 /nfs/dbraw/zinc/67/06/39/949670639.db2.gz OMDUFFQPCOQHDA-QWHCGFSZSA-N -1 1 388.476 0.981 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cncn1 ZINC001573816127 949672336 /nfs/dbraw/zinc/67/23/36/949672336.db2.gz OOCYCAOWYZPSPG-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cncn1 ZINC001573816127 949672347 /nfs/dbraw/zinc/67/23/47/949672347.db2.gz OOCYCAOWYZPSPG-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878245 949674738 /nfs/dbraw/zinc/67/47/38/949674738.db2.gz ODRFQUCXAJISML-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878245 949674754 /nfs/dbraw/zinc/67/47/54/949674754.db2.gz ODRFQUCXAJISML-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878343 949678722 /nfs/dbraw/zinc/67/87/22/949678722.db2.gz OPNAEHOMLLEEIG-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878343 949678740 /nfs/dbraw/zinc/67/87/40/949678740.db2.gz OPNAEHOMLLEEIG-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574477791 949679604 /nfs/dbraw/zinc/67/96/04/949679604.db2.gz RWNZHFAXMYFRPT-GFCCVEGCSA-N -1 1 386.416 0.098 20 0 GCADMM C[C@H](CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574477836 949681135 /nfs/dbraw/zinc/68/11/35/949681135.db2.gz VKGFKJYJOCVNJM-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574477836 949681148 /nfs/dbraw/zinc/68/11/48/949681148.db2.gz VKGFKJYJOCVNJM-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001574477903 949685758 /nfs/dbraw/zinc/68/57/58/949685758.db2.gz SSEHCIGSWIPLMV-GXTWGEPZSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001574477903 949685774 /nfs/dbraw/zinc/68/57/74/949685774.db2.gz SSEHCIGSWIPLMV-GXTWGEPZSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169692 949689502 /nfs/dbraw/zinc/68/95/02/949689502.db2.gz HUHPBBIWSIJAGU-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169692 949689516 /nfs/dbraw/zinc/68/95/16/949689516.db2.gz HUHPBBIWSIJAGU-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169693 949691115 /nfs/dbraw/zinc/69/11/15/949691115.db2.gz HUHPBBIWSIJAGU-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169693 949691130 /nfs/dbraw/zinc/69/11/30/949691130.db2.gz HUHPBBIWSIJAGU-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880237 949700383 /nfs/dbraw/zinc/70/03/83/949700383.db2.gz SOCAFWVDTFLUFD-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880237 949700397 /nfs/dbraw/zinc/70/03/97/949700397.db2.gz SOCAFWVDTFLUFD-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574478320 949702477 /nfs/dbraw/zinc/70/24/77/949702477.db2.gz YNLBMHDDATUUQN-NWDGAFQWSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574478320 949702502 /nfs/dbraw/zinc/70/25/02/949702502.db2.gz YNLBMHDDATUUQN-NWDGAFQWSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574716763 949702731 /nfs/dbraw/zinc/70/27/31/949702731.db2.gz LQQOBCRUUNOVCZ-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574716763 949702750 /nfs/dbraw/zinc/70/27/50/949702750.db2.gz LQQOBCRUUNOVCZ-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574478376 949705601 /nfs/dbraw/zinc/70/56/01/949705601.db2.gz YWHXVEJEKBKEDB-NWDGAFQWSA-N -1 1 386.416 0.097 20 0 GCADMM C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170235 949710343 /nfs/dbraw/zinc/71/03/43/949710343.db2.gz LBYQWHVBQPOFAN-ZIAGYGMSSA-N -1 1 388.476 0.528 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170245 949712421 /nfs/dbraw/zinc/71/24/21/949712421.db2.gz JQKOJSMVMGSDHE-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170245 949712439 /nfs/dbraw/zinc/71/24/39/949712439.db2.gz JQKOJSMVMGSDHE-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170495 949718079 /nfs/dbraw/zinc/71/80/79/949718079.db2.gz LJHVIPLRXQCNFK-JSGCOSHPSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881306 949719678 /nfs/dbraw/zinc/71/96/78/949719678.db2.gz XGWKVZGIEJQHRF-OCCSQVGLSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881306 949719689 /nfs/dbraw/zinc/71/96/89/949719689.db2.gz XGWKVZGIEJQHRF-OCCSQVGLSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881465 949722699 /nfs/dbraw/zinc/72/26/99/949722699.db2.gz XXJLILYMOGDCLL-JSGCOSHPSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881465 949722709 /nfs/dbraw/zinc/72/27/09/949722709.db2.gz XXJLILYMOGDCLL-JSGCOSHPSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574717246 949727016 /nfs/dbraw/zinc/72/70/16/949727016.db2.gz OKGVPWRTUNFRHF-ZDUSSCGKSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574960941 949727578 /nfs/dbraw/zinc/72/75/78/949727578.db2.gz YMWUTNOLFGMSME-QJPTWQEYSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574960941 949727588 /nfs/dbraw/zinc/72/75/88/949727588.db2.gz YMWUTNOLFGMSME-QJPTWQEYSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCOC1CCOCC1 ZINC001575276814 949729056 /nfs/dbraw/zinc/72/90/56/949729056.db2.gz MAQHNYTTZFKGGV-NEPJUHHUSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCOC1CCOCC1 ZINC001575276814 949729065 /nfs/dbraw/zinc/72/90/65/949729065.db2.gz MAQHNYTTZFKGGV-NEPJUHHUSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575276834 949730551 /nfs/dbraw/zinc/73/05/51/949730551.db2.gz MAQHNYTTZFKGGV-VXGBXAGGSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575276834 949730561 /nfs/dbraw/zinc/73/05/61/949730561.db2.gz MAQHNYTTZFKGGV-VXGBXAGGSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574960905 949731329 /nfs/dbraw/zinc/73/13/29/949731329.db2.gz YFZMRPFJYBYTPM-WCFLWFBJSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574960905 949731341 /nfs/dbraw/zinc/73/13/41/949731341.db2.gz YFZMRPFJYBYTPM-WCFLWFBJSA-N -1 1 382.432 0.135 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001575558019 949731635 /nfs/dbraw/zinc/73/16/35/949731635.db2.gz MRFPVJNYKVQNQU-GFCCVEGCSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575276815 949732726 /nfs/dbraw/zinc/73/27/26/949732726.db2.gz MAQHNYTTZFKGGV-NWDGAFQWSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575276815 949732766 /nfs/dbraw/zinc/73/27/66/949732766.db2.gz MAQHNYTTZFKGGV-NWDGAFQWSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881862 949736409 /nfs/dbraw/zinc/73/64/09/949736409.db2.gz CMDGFKRDHKELEG-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881862 949736422 /nfs/dbraw/zinc/73/64/22/949736422.db2.gz CMDGFKRDHKELEG-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881940 949741515 /nfs/dbraw/zinc/74/15/15/949741515.db2.gz DHFKMXKUGGMTJJ-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881940 949741531 /nfs/dbraw/zinc/74/15/31/949741531.db2.gz DHFKMXKUGGMTJJ-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnn1 ZINC001573818667 949742057 /nfs/dbraw/zinc/74/20/57/949742057.db2.gz NUQUXEPTXDASHG-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnn1 ZINC001573818667 949742071 /nfs/dbraw/zinc/74/20/71/949742071.db2.gz NUQUXEPTXDASHG-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1ccnc1 ZINC001574480077 949742729 /nfs/dbraw/zinc/74/27/29/949742729.db2.gz GUJHXMIYDRYKAY-LBPRGKRZSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H]1CCCC[C@H]1CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576170834 949743069 /nfs/dbraw/zinc/74/30/69/949743069.db2.gz NQCJOJNOFJQPTI-NEPJUHHUSA-N -1 1 375.433 0.852 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574136381 949744682 /nfs/dbraw/zinc/74/46/82/949744682.db2.gz PAQYXUFHIKRMDG-KGLIPLIRSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573818977 949745166 /nfs/dbraw/zinc/74/51/66/949745166.db2.gz QDVLDYBRFZRNOF-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573818977 949745177 /nfs/dbraw/zinc/74/51/77/949745177.db2.gz QDVLDYBRFZRNOF-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881992 949746822 /nfs/dbraw/zinc/74/68/22/949746822.db2.gz FBJYJJRWUYTKIF-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881992 949746839 /nfs/dbraw/zinc/74/68/39/949746839.db2.gz FBJYJJRWUYTKIF-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574480508 949751512 /nfs/dbraw/zinc/75/15/12/949751512.db2.gz JHYQIEVTCHTPIF-KZULUSFZSA-N -1 1 386.460 0.280 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171155 949752571 /nfs/dbraw/zinc/75/25/71/949752571.db2.gz PFGHCDRLPZRKMQ-STQMWFEESA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171155 949752593 /nfs/dbraw/zinc/75/25/93/949752593.db2.gz PFGHCDRLPZRKMQ-STQMWFEESA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574480507 949754171 /nfs/dbraw/zinc/75/41/71/949754171.db2.gz JHYQIEVTCHTPIF-KPZWWZAWSA-N -1 1 386.460 0.280 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574480541 949755327 /nfs/dbraw/zinc/75/53/27/949755327.db2.gz JMEHUFIYDHMGHJ-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574480541 949755340 /nfs/dbraw/zinc/75/53/40/949755340.db2.gz JMEHUFIYDHMGHJ-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001573819844 949757875 /nfs/dbraw/zinc/75/78/75/949757875.db2.gz WLKQCWNBFFJCGP-DGCLKSJQSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001573819844 949757887 /nfs/dbraw/zinc/75/78/87/949757887.db2.gz WLKQCWNBFFJCGP-DGCLKSJQSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1OCCCO1 ZINC001573819824 949759972 /nfs/dbraw/zinc/75/99/72/949759972.db2.gz VVITZODJLRSQAU-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1OCCCO1 ZINC001573819824 949759990 /nfs/dbraw/zinc/75/99/90/949759990.db2.gz VVITZODJLRSQAU-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574480962 949762584 /nfs/dbraw/zinc/76/25/84/949762584.db2.gz LRSQNVCRJHICGG-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574480962 949762598 /nfs/dbraw/zinc/76/25/98/949762598.db2.gz LRSQNVCRJHICGG-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171499 949768524 /nfs/dbraw/zinc/76/85/24/949768524.db2.gz RGQCZJUXEVROJE-VVSAWPALSA-N -1 1 384.444 0.010 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718275 949773495 /nfs/dbraw/zinc/77/34/95/949773495.db2.gz UVECPQKTSHUWCB-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718275 949773518 /nfs/dbraw/zinc/77/35/18/949773518.db2.gz UVECPQKTSHUWCB-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574481382 949775020 /nfs/dbraw/zinc/77/50/20/949775020.db2.gz PAMFORQMTGTWTD-UONOGXRCSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574481257 949775275 /nfs/dbraw/zinc/77/52/75/949775275.db2.gz NZPOIHUMKBVEBG-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574481257 949775294 /nfs/dbraw/zinc/77/52/94/949775294.db2.gz NZPOIHUMKBVEBG-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718370 949777161 /nfs/dbraw/zinc/77/71/61/949777161.db2.gz VQDWIOBSQOCSQW-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718370 949777180 /nfs/dbraw/zinc/77/71/80/949777180.db2.gz VQDWIOBSQOCSQW-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575279237 949778331 /nfs/dbraw/zinc/77/83/31/949778331.db2.gz XQXHMHKUFYUIOQ-NXEZZACHSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575279237 949778343 /nfs/dbraw/zinc/77/83/43/949778343.db2.gz XQXHMHKUFYUIOQ-NXEZZACHSA-N -1 1 390.839 0.902 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574137916 949778895 /nfs/dbraw/zinc/77/88/95/949778895.db2.gz YYCFPOQQQIRVIM-OLZOCXBDSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574137916 949778919 /nfs/dbraw/zinc/77/89/19/949778919.db2.gz YYCFPOQQQIRVIM-OLZOCXBDSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575279240 949780444 /nfs/dbraw/zinc/78/04/44/949780444.db2.gz XQXHMHKUFYUIOQ-ZJUUUORDSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575279240 949780453 /nfs/dbraw/zinc/78/04/53/949780453.db2.gz XQXHMHKUFYUIOQ-ZJUUUORDSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575882599 949780858 /nfs/dbraw/zinc/78/08/58/949780858.db2.gz NEBJZJDADSTGHP-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575882599 949780879 /nfs/dbraw/zinc/78/08/79/949780879.db2.gz NEBJZJDADSTGHP-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575279522 949783157 /nfs/dbraw/zinc/78/31/57/949783157.db2.gz YMNXEIFHBLWSFM-NWDGAFQWSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575279522 949783178 /nfs/dbraw/zinc/78/31/78/949783178.db2.gz YMNXEIFHBLWSFM-NWDGAFQWSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575279523 949783316 /nfs/dbraw/zinc/78/33/16/949783316.db2.gz YMNXEIFHBLWSFM-RYUDHWBXSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575279523 949783330 /nfs/dbraw/zinc/78/33/30/949783330.db2.gz YMNXEIFHBLWSFM-RYUDHWBXSA-N -1 1 390.448 0.548 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)COCC(F)F ZINC001573822368 949791646 /nfs/dbraw/zinc/79/16/46/949791646.db2.gz ICHUZUUEVAZDTO-SECBINFHSA-N -1 1 384.391 0.881 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)COCC(F)F ZINC001573822368 949791658 /nfs/dbraw/zinc/79/16/58/949791658.db2.gz ICHUZUUEVAZDTO-SECBINFHSA-N -1 1 384.391 0.881 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172136 949794941 /nfs/dbraw/zinc/79/49/41/949794941.db2.gz VOOLMGJHXQGHOU-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172398 949808503 /nfs/dbraw/zinc/80/85/03/949808503.db2.gz WRLHEOLVBIVFQD-AAEUAGOBSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172398 949808523 /nfs/dbraw/zinc/80/85/23/949808523.db2.gz WRLHEOLVBIVFQD-AAEUAGOBSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575561537 949808463 /nfs/dbraw/zinc/80/84/63/949808463.db2.gz BDKOBLVTDOKMIZ-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575561537 949808489 /nfs/dbraw/zinc/80/84/89/949808489.db2.gz BDKOBLVTDOKMIZ-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574721177 949808991 /nfs/dbraw/zinc/80/89/91/949808991.db2.gz JZWYFOHNTNZATR-CYBMUJFWSA-N -1 1 381.444 0.755 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574965744 949812741 /nfs/dbraw/zinc/81/27/41/949812741.db2.gz KVLPHLLWECTGRD-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574965744 949812761 /nfs/dbraw/zinc/81/27/61/949812761.db2.gz KVLPHLLWECTGRD-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576172564 949813677 /nfs/dbraw/zinc/81/36/77/949813677.db2.gz XHGHEWHWTMGQSU-AAEUAGOBSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576172564 949813699 /nfs/dbraw/zinc/81/36/99/949813699.db2.gz XHGHEWHWTMGQSU-AAEUAGOBSA-N -1 1 387.448 0.351 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574139569 949818614 /nfs/dbraw/zinc/81/86/14/949818614.db2.gz KQXWDAPJRUWADI-SCLBCKFNSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574139569 949818636 /nfs/dbraw/zinc/81/86/36/949818636.db2.gz KQXWDAPJRUWADI-SCLBCKFNSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574965901 949821165 /nfs/dbraw/zinc/82/11/65/949821165.db2.gz OIOJFRRFLKGIFG-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574965901 949821182 /nfs/dbraw/zinc/82/11/82/949821182.db2.gz OIOJFRRFLKGIFG-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575281893 949823205 /nfs/dbraw/zinc/82/32/05/949823205.db2.gz HVHLVXNRTCBRTK-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575281893 949823230 /nfs/dbraw/zinc/82/32/30/949823230.db2.gz HVHLVXNRTCBRTK-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001574483582 949825308 /nfs/dbraw/zinc/82/53/08/949825308.db2.gz DNZVZFYIPVCMLC-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001574483582 949825330 /nfs/dbraw/zinc/82/53/30/949825330.db2.gz DNZVZFYIPVCMLC-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574965976 949828667 /nfs/dbraw/zinc/82/86/67/949828667.db2.gz QPWUVBASTNPQNU-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc[nH]c1=O ZINC001573823458 949830355 /nfs/dbraw/zinc/83/03/55/949830355.db2.gz XFAXRAFAWMCRPZ-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc[nH]c1=O ZINC001573823458 949830377 /nfs/dbraw/zinc/83/03/77/949830377.db2.gz XFAXRAFAWMCRPZ-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575563411 949838670 /nfs/dbraw/zinc/83/86/70/949838670.db2.gz KIGDLBIQEKPMFH-QWHCGFSZSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574966084 949840038 /nfs/dbraw/zinc/84/00/38/949840038.db2.gz UEMLCTLFVLODGI-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574966084 949840055 /nfs/dbraw/zinc/84/00/55/949840055.db2.gz UEMLCTLFVLODGI-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574966277 949840918 /nfs/dbraw/zinc/84/09/18/949840918.db2.gz WDWSUZVPPQWSKN-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574966277 949840937 /nfs/dbraw/zinc/84/09/37/949840937.db2.gz WDWSUZVPPQWSKN-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884237 949844339 /nfs/dbraw/zinc/84/43/39/949844339.db2.gz HRIQQFGQWDRJJZ-ONGXEEELSA-N -1 1 382.384 0.328 20 0 GCADMM CC(C)(C)C12CC(C(=O)N[C@@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3O)(C1)C2 ZINC001573823943 949846452 /nfs/dbraw/zinc/84/64/52/949846452.db2.gz BVDJRSOQBKVPBU-NYYJTOMGSA-N -1 1 398.471 0.539 20 0 GCADMM CC(C)(C)C12CC(C(=O)N[C@@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3O)(C1)C2 ZINC001573823943 949846468 /nfs/dbraw/zinc/84/64/68/949846468.db2.gz BVDJRSOQBKVPBU-NYYJTOMGSA-N -1 1 398.471 0.539 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3cnc(-c4nnn[n-]4)cn3)(C1)C2 ZINC001573824960 949857324 /nfs/dbraw/zinc/85/73/24/949857324.db2.gz JFXUXFDUYDBNPS-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3cnc(-c4nn[n-]n4)cn3)(C1)C2 ZINC001573824960 949857347 /nfs/dbraw/zinc/85/73/47/949857347.db2.gz JFXUXFDUYDBNPS-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)NC(N)=O ZINC001574484085 949859277 /nfs/dbraw/zinc/85/92/77/949859277.db2.gz TYCHLIIMBGYUMZ-JTQLQIEISA-N -1 1 378.462 0.019 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)C1 ZINC001573825199 949861749 /nfs/dbraw/zinc/86/17/49/949861749.db2.gz MPFVNCPUNSFEFJ-TUUUFIMRSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)C1 ZINC001573825199 949861766 /nfs/dbraw/zinc/86/17/66/949861766.db2.gz MPFVNCPUNSFEFJ-TUUUFIMRSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575283155 949861613 /nfs/dbraw/zinc/86/16/13/949861613.db2.gz NYYNCDKLMMIDKU-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575885522 949864212 /nfs/dbraw/zinc/86/42/12/949864212.db2.gz WYXDWHMLYJUMCT-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575885522 949864232 /nfs/dbraw/zinc/86/42/32/949864232.db2.gz WYXDWHMLYJUMCT-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573825281 949867130 /nfs/dbraw/zinc/86/71/30/949867130.db2.gz PRTBKFDNGLXOMM-GFCCVEGCSA-N -1 1 392.489 0.312 20 0 GCADMM C[C@@H](NC(=O)C(=O)N1CCC(C)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576177969 949870248 /nfs/dbraw/zinc/87/02/48/949870248.db2.gz FCKXKEJVRNROQY-NWDGAFQWSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(=O)N1CCC(C)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576177969 949870267 /nfs/dbraw/zinc/87/02/67/949870267.db2.gz FCKXKEJVRNROQY-NWDGAFQWSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1[O-] ZINC001575885631 949872475 /nfs/dbraw/zinc/87/24/75/949872475.db2.gz KKZMGUBSCSXHSL-ONGXEEELSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575886155 949874131 /nfs/dbraw/zinc/87/41/31/949874131.db2.gz XHKDBMJZVZWTDF-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575886155 949874149 /nfs/dbraw/zinc/87/41/49/949874149.db2.gz XHKDBMJZVZWTDF-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575886156 949875002 /nfs/dbraw/zinc/87/50/02/949875002.db2.gz XHKDBMJZVZWTDF-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575886156 949875030 /nfs/dbraw/zinc/87/50/30/949875030.db2.gz XHKDBMJZVZWTDF-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178020 949876942 /nfs/dbraw/zinc/87/69/42/949876942.db2.gz AOPJLWNIOBXVKH-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178020 949876967 /nfs/dbraw/zinc/87/69/67/949876967.db2.gz AOPJLWNIOBXVKH-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178041 949877090 /nfs/dbraw/zinc/87/70/90/949877090.db2.gz AOYHQWIBIYTSMX-VHSXEESVSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576178269 949880087 /nfs/dbraw/zinc/88/00/87/949880087.db2.gz HEALVFVBIAUDQJ-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576178269 949880108 /nfs/dbraw/zinc/88/01/08/949880108.db2.gz HEALVFVBIAUDQJ-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575565366 949883389 /nfs/dbraw/zinc/88/33/89/949883389.db2.gz VZEOLVAEMBOQJA-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575565366 949883411 /nfs/dbraw/zinc/88/34/11/949883411.db2.gz VZEOLVAEMBOQJA-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283903 949884622 /nfs/dbraw/zinc/88/46/22/949884622.db2.gz QZRRWWROIQJDIA-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283903 949884643 /nfs/dbraw/zinc/88/46/43/949884643.db2.gz QZRRWWROIQJDIA-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574484592 949889171 /nfs/dbraw/zinc/88/91/71/949889171.db2.gz KLNDBESGJDRIDD-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178436 949889251 /nfs/dbraw/zinc/88/92/51/949889251.db2.gz BJYZFRPYGGXNNG-AAEUAGOBSA-N -1 1 380.416 0.221 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576178506 949892716 /nfs/dbraw/zinc/89/27/16/949892716.db2.gz BVFXFGOIQOQKAK-JQWIXIFHSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576178506 949892739 /nfs/dbraw/zinc/89/27/39/949892739.db2.gz BVFXFGOIQOQKAK-JQWIXIFHSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284203 949896879 /nfs/dbraw/zinc/89/68/79/949896879.db2.gz IEKBXISIFQNNAR-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284203 949896903 /nfs/dbraw/zinc/89/69/03/949896903.db2.gz IEKBXISIFQNNAR-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)CCOC1 ZINC001575568712 949898124 /nfs/dbraw/zinc/89/81/24/949898124.db2.gz BXPNHWGFQFAHFS-ACJLOTCBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)CCOC1 ZINC001575568712 949898145 /nfs/dbraw/zinc/89/81/45/949898145.db2.gz BXPNHWGFQFAHFS-ACJLOTCBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574968784 949908167 /nfs/dbraw/zinc/90/81/67/949908167.db2.gz SFKPJOCXBNYHHF-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574968784 949908186 /nfs/dbraw/zinc/90/81/86/949908186.db2.gz SFKPJOCXBNYHHF-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)CCOC1 ZINC001575569138 949909628 /nfs/dbraw/zinc/90/96/28/949909628.db2.gz GSUFMCLGJGLYER-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574484925 949910270 /nfs/dbraw/zinc/91/02/70/949910270.db2.gz RXXPDLGWMUUWAD-QWHCGFSZSA-N -1 1 382.432 0.329 20 0 GCADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574144519 949911439 /nfs/dbraw/zinc/91/14/39/949911439.db2.gz OIXKXBTXIAJTGO-UONOGXRCSA-N -1 1 388.476 0.933 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)CCCCC1 ZINC001575570170 949933552 /nfs/dbraw/zinc/93/35/52/949933552.db2.gz PYZUCAQMOZSPIM-GXTWGEPZSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)CCCCC1 ZINC001575570170 949933569 /nfs/dbraw/zinc/93/35/69/949933569.db2.gz PYZUCAQMOZSPIM-GXTWGEPZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001574487692 949938279 /nfs/dbraw/zinc/93/82/79/949938279.db2.gz BDOIPMJPUZMXDD-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001574487692 949938293 /nfs/dbraw/zinc/93/82/93/949938293.db2.gz BDOIPMJPUZMXDD-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574488054 949943347 /nfs/dbraw/zinc/94/33/47/949943347.db2.gz CSZBLXLPPDMRAO-AVGNSLFASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574488054 949943364 /nfs/dbraw/zinc/94/33/64/949943364.db2.gz CSZBLXLPPDMRAO-AVGNSLFASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575285299 949943375 /nfs/dbraw/zinc/94/33/75/949943375.db2.gz MMXMDOZGPXSDGT-RYUDHWBXSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575285299 949943386 /nfs/dbraw/zinc/94/33/86/949943386.db2.gz MMXMDOZGPXSDGT-RYUDHWBXSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180385 949949079 /nfs/dbraw/zinc/94/90/79/949949079.db2.gz HMKJFAUERTVJOU-GXFFZTMASA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180385 949949095 /nfs/dbraw/zinc/94/90/95/949949095.db2.gz HMKJFAUERTVJOU-GXFFZTMASA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727036 949949120 /nfs/dbraw/zinc/94/91/20/949949120.db2.gz NWVYGJSILIRVHV-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727036 949949148 /nfs/dbraw/zinc/94/91/48/949949148.db2.gz NWVYGJSILIRVHV-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575890398 949952889 /nfs/dbraw/zinc/95/28/89/949952889.db2.gz XGKPTCVKSKMDDV-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575890398 949952921 /nfs/dbraw/zinc/95/29/21/949952921.db2.gz XGKPTCVKSKMDDV-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285638 949953018 /nfs/dbraw/zinc/95/30/18/949953018.db2.gz PLVIFPXQDQQUQT-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285638 949953044 /nfs/dbraw/zinc/95/30/44/949953044.db2.gz PLVIFPXQDQQUQT-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001574488440 949953075 /nfs/dbraw/zinc/95/30/75/949953075.db2.gz GFIRDWURIORLAT-RDBSUJKOSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574488440 949953100 /nfs/dbraw/zinc/95/31/00/949953100.db2.gz GFIRDWURIORLAT-RDBSUJKOSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285712 949959318 /nfs/dbraw/zinc/95/93/18/949959318.db2.gz QGKBYXYXLFDXNM-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285712 949959329 /nfs/dbraw/zinc/95/93/29/949959329.db2.gz QGKBYXYXLFDXNM-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574727441 949963590 /nfs/dbraw/zinc/96/35/90/949963590.db2.gz SUYJTJZYQNRXGG-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574727441 949963607 /nfs/dbraw/zinc/96/36/07/949963607.db2.gz SUYJTJZYQNRXGG-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574727412 949963772 /nfs/dbraw/zinc/96/37/72/949963772.db2.gz SCXQEUMWAITARJ-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574727412 949963795 /nfs/dbraw/zinc/96/37/95/949963795.db2.gz SCXQEUMWAITARJ-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574727480 949963968 /nfs/dbraw/zinc/96/39/68/949963968.db2.gz UDCKPQZATOIICK-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574727480 949963989 /nfs/dbraw/zinc/96/39/89/949963989.db2.gz UDCKPQZATOIICK-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1cccnc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727454 949964763 /nfs/dbraw/zinc/96/47/63/949964763.db2.gz TUCIXENXHHIGSH-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1cccnc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727454 949964789 /nfs/dbraw/zinc/96/47/89/949964789.db2.gz TUCIXENXHHIGSH-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573829997 949969672 /nfs/dbraw/zinc/96/96/72/949969672.db2.gz GZNIQDFWGQHWCI-ZDUSSCGKSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573829997 949969689 /nfs/dbraw/zinc/96/96/89/949969689.db2.gz GZNIQDFWGQHWCI-ZDUSSCGKSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180909 949973991 /nfs/dbraw/zinc/97/39/91/949973991.db2.gz FYZQUUIBUOZQRT-TZMCWYRMSA-N -1 1 384.444 0.669 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001573830432 949974762 /nfs/dbraw/zinc/97/47/62/949974762.db2.gz MRPYYWUAGIOEQP-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890932 949974900 /nfs/dbraw/zinc/97/49/00/949974900.db2.gz BMZGHLFBGKUJCE-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890932 949974915 /nfs/dbraw/zinc/97/49/15/949974915.db2.gz BMZGHLFBGKUJCE-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727747 949980304 /nfs/dbraw/zinc/98/03/04/949980304.db2.gz YVLAJGWPGIJRLF-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727747 949980336 /nfs/dbraw/zinc/98/03/36/949980336.db2.gz YVLAJGWPGIJRLF-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001573830685 949980833 /nfs/dbraw/zinc/98/08/33/949980833.db2.gz OEMZPUCLSPHZPF-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001573830685 949980850 /nfs/dbraw/zinc/98/08/50/949980850.db2.gz OEMZPUCLSPHZPF-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727729 949981439 /nfs/dbraw/zinc/98/14/39/949981439.db2.gz YMADTKYHVDTNTP-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727729 949981456 /nfs/dbraw/zinc/98/14/56/949981456.db2.gz YMADTKYHVDTNTP-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575572984 949988390 /nfs/dbraw/zinc/98/83/90/949988390.db2.gz KASONOQYTSNORJ-UGSOOPFHSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575572984 949988409 /nfs/dbraw/zinc/98/84/09/949988409.db2.gz KASONOQYTSNORJ-UGSOOPFHSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181201 949992245 /nfs/dbraw/zinc/99/22/45/949992245.db2.gz KOSRECPKCCLVCU-GWCFXTLKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181201 949992263 /nfs/dbraw/zinc/99/22/63/949992263.db2.gz KOSRECPKCCLVCU-GWCFXTLKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CNC(=O)C(=O)N1CCC(C)CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181356 950001503 /nfs/dbraw/zinc/00/15/03/950001503.db2.gz UDEFSJQPEGNTAC-LBPRGKRZSA-N -1 1 387.448 0.079 20 0 GCADMM C[C@H](CNC(=O)C(=O)N1CCC(C)CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181356 950001528 /nfs/dbraw/zinc/00/15/28/950001528.db2.gz UDEFSJQPEGNTAC-LBPRGKRZSA-N -1 1 387.448 0.079 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573833663 950008492 /nfs/dbraw/zinc/00/84/92/950008492.db2.gz BFNQRQFCANNMCT-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573833663 950008513 /nfs/dbraw/zinc/00/85/13/950008513.db2.gz BFNQRQFCANNMCT-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891519 950011059 /nfs/dbraw/zinc/01/10/59/950011059.db2.gz KSWQHCNBZMDESQ-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C1(C)CCOCC1 ZINC001575574379 950016435 /nfs/dbraw/zinc/01/64/35/950016435.db2.gz UTWJHKQFAFMPFJ-GFCCVEGCSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C1(C)CCOCC1 ZINC001575574379 950016457 /nfs/dbraw/zinc/01/64/57/950016457.db2.gz UTWJHKQFAFMPFJ-GFCCVEGCSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181782 950016825 /nfs/dbraw/zinc/01/68/25/950016825.db2.gz JORFWGQKGTYHKA-TZMCWYRMSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181782 950016852 /nfs/dbraw/zinc/01/68/52/950016852.db2.gz JORFWGQKGTYHKA-TZMCWYRMSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181778 950018137 /nfs/dbraw/zinc/01/81/37/950018137.db2.gz MQJXVNGNCHWJDM-GXTWGEPZSA-N -1 1 381.444 0.770 20 0 GCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575574581 950023760 /nfs/dbraw/zinc/02/37/60/950023760.db2.gz WZWANOHXLFRMKQ-SCLBCKFNSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575574581 950023784 /nfs/dbraw/zinc/02/37/84/950023784.db2.gz WZWANOHXLFRMKQ-SCLBCKFNSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574729555 950023956 /nfs/dbraw/zinc/02/39/56/950023956.db2.gz OGNCOOHTRUZUGY-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574729555 950023978 /nfs/dbraw/zinc/02/39/78/950023978.db2.gz OGNCOOHTRUZUGY-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccncc1 ZINC001574491281 950031455 /nfs/dbraw/zinc/03/14/55/950031455.db2.gz BSKNOQAPMDIAMH-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccncc1 ZINC001574491281 950031472 /nfs/dbraw/zinc/03/14/72/950031472.db2.gz BSKNOQAPMDIAMH-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182195 950038618 /nfs/dbraw/zinc/03/86/18/950038618.db2.gz NNZORLRCUKLTJI-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182195 950038639 /nfs/dbraw/zinc/03/86/39/950038639.db2.gz NNZORLRCUKLTJI-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574491611 950039003 /nfs/dbraw/zinc/03/90/03/950039003.db2.gz DXMWAMKWCFLYQW-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182310 950043150 /nfs/dbraw/zinc/04/31/50/950043150.db2.gz NWNNTPQEUZKJRS-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182310 950043173 /nfs/dbraw/zinc/04/31/73/950043173.db2.gz NWNNTPQEUZKJRS-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892057 950049865 /nfs/dbraw/zinc/04/98/65/950049865.db2.gz RATFASBFOPUPCU-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892057 950049885 /nfs/dbraw/zinc/04/98/85/950049885.db2.gz RATFASBFOPUPCU-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492017 950057092 /nfs/dbraw/zinc/05/70/92/950057092.db2.gz IGUVUCUVLJRNDX-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574732111 950062806 /nfs/dbraw/zinc/06/28/06/950062806.db2.gz GCLWFAKLLMVZDT-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574732111 950062822 /nfs/dbraw/zinc/06/28/22/950062822.db2.gz GCLWFAKLLMVZDT-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574732158 950064216 /nfs/dbraw/zinc/06/42/16/950064216.db2.gz GJJOVXQYOMTBIN-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574732158 950064236 /nfs/dbraw/zinc/06/42/36/950064236.db2.gz GJJOVXQYOMTBIN-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182862 950067341 /nfs/dbraw/zinc/06/73/41/950067341.db2.gz NQFNLVHMCSRWRV-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182862 950067361 /nfs/dbraw/zinc/06/73/61/950067361.db2.gz NQFNLVHMCSRWRV-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574492154 950068872 /nfs/dbraw/zinc/06/88/72/950068872.db2.gz JYJAPGSRQWMROD-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492154 950068888 /nfs/dbraw/zinc/06/88/88/950068888.db2.gz JYJAPGSRQWMROD-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573836026 950069582 /nfs/dbraw/zinc/06/95/82/950069582.db2.gz DPDZZLPJDWVEDW-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573836026 950069599 /nfs/dbraw/zinc/06/95/99/950069599.db2.gz DPDZZLPJDWVEDW-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182926 950071473 /nfs/dbraw/zinc/07/14/73/950071473.db2.gz PZOKKMLKCQAHJU-KOLCDFICSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@]1(C(=O)NC[C@H](O)CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001575577381 950077759 /nfs/dbraw/zinc/07/77/59/950077759.db2.gz VILPAYSFNVQLRG-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](O)CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001575577392 950079923 /nfs/dbraw/zinc/07/99/23/950079923.db2.gz VILPAYSFNVQLRG-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183390 950083912 /nfs/dbraw/zinc/08/39/12/950083912.db2.gz RAFMEEUZHZHNRM-WDEREUQCSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183352 950084416 /nfs/dbraw/zinc/08/44/16/950084416.db2.gz PXFCKSIMUZBECV-NEPJUHHUSA-N -1 1 383.416 0.206 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183431 950089583 /nfs/dbraw/zinc/08/95/83/950089583.db2.gz RUNYOLTVEIWOEX-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183431 950089604 /nfs/dbraw/zinc/08/96/04/950089604.db2.gz RUNYOLTVEIWOEX-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183459 950089729 /nfs/dbraw/zinc/08/97/29/950089729.db2.gz SDFZUVSCMBUDQZ-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733030 950089993 /nfs/dbraw/zinc/08/99/93/950089993.db2.gz QHDJZINSJXDYDB-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183459 950089750 /nfs/dbraw/zinc/08/97/50/950089750.db2.gz SDFZUVSCMBUDQZ-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733030 950090020 /nfs/dbraw/zinc/09/00/20/950090020.db2.gz QHDJZINSJXDYDB-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492665 950096606 /nfs/dbraw/zinc/09/66/06/950096606.db2.gz OGXZCOPIXFJUIQ-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)CCC(=O)NC1 ZINC001575582106 950100175 /nfs/dbraw/zinc/10/01/75/950100175.db2.gz FEZUYKCROLBNTO-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)CCC(=O)NC1 ZINC001575582106 950100191 /nfs/dbraw/zinc/10/01/91/950100191.db2.gz FEZUYKCROLBNTO-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183693 950101728 /nfs/dbraw/zinc/10/17/28/950101728.db2.gz SOYWYUFRCDTIOD-OCCSQVGLSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574492748 950102409 /nfs/dbraw/zinc/10/24/09/950102409.db2.gz CIAQIJYKENVGDU-PSASIEDQSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574492730 950103504 /nfs/dbraw/zinc/10/35/04/950103504.db2.gz PKPBOWTXHCHTFD-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574492730 950103516 /nfs/dbraw/zinc/10/35/16/950103516.db2.gz PKPBOWTXHCHTFD-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183876 950103921 /nfs/dbraw/zinc/10/39/21/950103921.db2.gz RYDNGSRJFUZCOP-UWVGGRQHSA-N -1 1 384.366 0.928 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575582168 950104892 /nfs/dbraw/zinc/10/48/92/950104892.db2.gz AKVRGCBOLLXZDH-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575582168 950104904 /nfs/dbraw/zinc/10/49/04/950104904.db2.gz AKVRGCBOLLXZDH-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183806 950106385 /nfs/dbraw/zinc/10/63/85/950106385.db2.gz REMXBYBDVDMNLA-WCQYABFASA-N -1 1 383.416 0.206 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183846 950106650 /nfs/dbraw/zinc/10/66/50/950106650.db2.gz RNGPJSPPGMOJKX-STQMWFEESA-N -1 1 381.444 0.546 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574493028 950111249 /nfs/dbraw/zinc/11/12/49/950111249.db2.gz QSGXTKHSTSOMNL-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184077 950113901 /nfs/dbraw/zinc/11/39/01/950113901.db2.gz SRBDGZZKVUVMKQ-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184077 950113914 /nfs/dbraw/zinc/11/39/14/950113914.db2.gz SRBDGZZKVUVMKQ-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1)NC(N)=O ZINC001574493204 950118595 /nfs/dbraw/zinc/11/85/95/950118595.db2.gz FLHHOEDLSZMTKT-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184358 950123787 /nfs/dbraw/zinc/12/37/87/950123787.db2.gz VEEDTIBRERLQCZ-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184358 950123805 /nfs/dbraw/zinc/12/38/05/950123805.db2.gz VEEDTIBRERLQCZ-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184393 950129865 /nfs/dbraw/zinc/12/98/65/950129865.db2.gz VIDDWBKNNPUUCX-NWDGAFQWSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184393 950129883 /nfs/dbraw/zinc/12/98/83/950129883.db2.gz VIDDWBKNNPUUCX-NWDGAFQWSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184583 950131689 /nfs/dbraw/zinc/13/16/89/950131689.db2.gz WPXJDGSNBCSLRJ-TZMCWYRMSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574734210 950132594 /nfs/dbraw/zinc/13/25/94/950132594.db2.gz KUHDQCRNFPTAHG-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574734481 950135875 /nfs/dbraw/zinc/13/58/75/950135875.db2.gz NSVLPBIGECQYRM-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574734481 950135884 /nfs/dbraw/zinc/13/58/84/950135884.db2.gz NSVLPBIGECQYRM-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184679 950136297 /nfs/dbraw/zinc/13/62/97/950136297.db2.gz WYFPYZJNXLHOCO-JSGCOSHPSA-N -1 1 386.460 0.402 20 0 GCADMM CC(C)(C)CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1)C(N)=O ZINC001573842378 950139633 /nfs/dbraw/zinc/13/96/33/950139633.db2.gz BTYVHXCPPDLDHY-LBPRGKRZSA-N -1 1 384.437 0.964 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CC(F)(F)C1 ZINC001575583608 950150561 /nfs/dbraw/zinc/15/05/61/950150561.db2.gz MOXOCCNYGJHVLR-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CC(F)(F)C1 ZINC001575583608 950150571 /nfs/dbraw/zinc/15/05/71/950150571.db2.gz MOXOCCNYGJHVLR-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575583658 950150644 /nfs/dbraw/zinc/15/06/44/950150644.db2.gz MWBWVDPCQJJTEJ-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575583658 950150652 /nfs/dbraw/zinc/15/06/52/950150652.db2.gz MWBWVDPCQJJTEJ-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001574494191 950154798 /nfs/dbraw/zinc/15/47/98/950154798.db2.gz JHKFXRKZUHRASD-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001574494191 950154805 /nfs/dbraw/zinc/15/48/05/950154805.db2.gz JHKFXRKZUHRASD-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574494176 950154937 /nfs/dbraw/zinc/15/49/37/950154937.db2.gz JEWABWDVDFDFTL-NWDGAFQWSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574494176 950154949 /nfs/dbraw/zinc/15/49/49/950154949.db2.gz JEWABWDVDFDFTL-NWDGAFQWSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185084 950155074 /nfs/dbraw/zinc/15/50/74/950155074.db2.gz ZGUVXYQQYHKHPI-NEPJUHHUSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185084 950155085 /nfs/dbraw/zinc/15/50/85/950155085.db2.gz ZGUVXYQQYHKHPI-NEPJUHHUSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576185048 950157372 /nfs/dbraw/zinc/15/73/72/950157372.db2.gz ZBEJWHWFUYLQCP-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576185048 950157384 /nfs/dbraw/zinc/15/73/84/950157384.db2.gz ZBEJWHWFUYLQCP-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574982341 950158973 /nfs/dbraw/zinc/15/89/73/950158973.db2.gz BPNDSMGUGUYAJO-NSHDSACASA-N -1 1 390.411 0.699 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190523 950163180 /nfs/dbraw/zinc/16/31/80/950163180.db2.gz ACIBNNKQUTWEKP-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190523 950163191 /nfs/dbraw/zinc/16/31/91/950163191.db2.gz ACIBNNKQUTWEKP-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM CC1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)CC(F)(F)C1 ZINC001575584157 950163404 /nfs/dbraw/zinc/16/34/04/950163404.db2.gz WCRLUFZBVQVHNH-UHFFFAOYSA-N -1 1 378.387 0.965 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899053 950164028 /nfs/dbraw/zinc/16/40/28/950164028.db2.gz VOFRBVICEZSWIM-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899053 950164044 /nfs/dbraw/zinc/16/40/44/950164044.db2.gz VOFRBVICEZSWIM-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574494477 950164019 /nfs/dbraw/zinc/16/40/19/950164019.db2.gz ZMFVOJBUDPRIQN-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574494477 950164031 /nfs/dbraw/zinc/16/40/31/950164031.db2.gz ZMFVOJBUDPRIQN-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575584397 950169036 /nfs/dbraw/zinc/16/90/36/950169036.db2.gz QMFDEYGVGMCTPM-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574494568 950169680 /nfs/dbraw/zinc/16/96/80/950169680.db2.gz LFLKNQPNYJYKHO-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574494568 950169688 /nfs/dbraw/zinc/16/96/88/950169688.db2.gz LFLKNQPNYJYKHO-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1ccnc1 ZINC001574494514 950169894 /nfs/dbraw/zinc/16/98/94/950169894.db2.gz KKXKHFTYHBSDIJ-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1ccnc1 ZINC001574494514 950169904 /nfs/dbraw/zinc/16/99/04/950169904.db2.gz KKXKHFTYHBSDIJ-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190777 950170336 /nfs/dbraw/zinc/17/03/36/950170336.db2.gz BQBUMWULCMJVTR-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190777 950170359 /nfs/dbraw/zinc/17/03/59/950170359.db2.gz BQBUMWULCMJVTR-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575899710 950172458 /nfs/dbraw/zinc/17/24/58/950172458.db2.gz YFYDWEJITWDSPQ-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575899710 950172492 /nfs/dbraw/zinc/17/24/92/950172492.db2.gz YFYDWEJITWDSPQ-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cccc1 ZINC001574155003 950179752 /nfs/dbraw/zinc/17/97/52/950179752.db2.gz HSVVJIQTAAVRRK-CQSZACIVSA-N -1 1 383.460 0.913 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574494802 950182963 /nfs/dbraw/zinc/18/29/63/950182963.db2.gz OOVCDBHFXMFBJX-VXGBXAGGSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574494802 950182976 /nfs/dbraw/zinc/18/29/76/950182976.db2.gz OOVCDBHFXMFBJX-VXGBXAGGSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191145 950187889 /nfs/dbraw/zinc/18/78/89/950187889.db2.gz DQALDLNOMQXDRR-RYUDHWBXSA-N -1 1 380.416 0.079 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC001575585211 950189316 /nfs/dbraw/zinc/18/93/16/950189316.db2.gz XNCXZCPGBABGTI-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC001575585211 950189332 /nfs/dbraw/zinc/18/93/32/950189332.db2.gz XNCXZCPGBABGTI-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC001575585213 950191097 /nfs/dbraw/zinc/19/10/97/950191097.db2.gz XNCXZCPGBABGTI-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC001575585213 950191119 /nfs/dbraw/zinc/19/11/19/950191119.db2.gz XNCXZCPGBABGTI-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H](c2ccco2)C1 ZINC001576191375 950192822 /nfs/dbraw/zinc/19/28/22/950192822.db2.gz HJYPIWPLVVARKV-CMPLNLGQSA-N -1 1 385.384 0.722 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191372 950192950 /nfs/dbraw/zinc/19/29/50/950192950.db2.gz FPUSLULUDYCPCD-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191372 950192961 /nfs/dbraw/zinc/19/29/61/950192961.db2.gz FPUSLULUDYCPCD-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)n1cncn1 ZINC001574155462 950193294 /nfs/dbraw/zinc/19/32/94/950193294.db2.gz LPDFLPWUJJBOEA-NEPJUHHUSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)n1cncn1 ZINC001574155462 950193310 /nfs/dbraw/zinc/19/33/10/950193310.db2.gz LPDFLPWUJJBOEA-NEPJUHHUSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575900264 950194045 /nfs/dbraw/zinc/19/40/45/950194045.db2.gz CZDSOQJTIVNOCN-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CO[C@@H]1CCOC1 ZINC001574155508 950195415 /nfs/dbraw/zinc/19/54/15/950195415.db2.gz MLTAOSTVDTUQRQ-QWHCGFSZSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CO[C@@H]1CCOC1 ZINC001574155508 950195423 /nfs/dbraw/zinc/19/54/23/950195423.db2.gz MLTAOSTVDTUQRQ-QWHCGFSZSA-N -1 1 390.448 0.405 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191572 950200261 /nfs/dbraw/zinc/20/02/61/950200261.db2.gz GWRVMGCHZGEEQI-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191572 950200276 /nfs/dbraw/zinc/20/02/76/950200276.db2.gz GWRVMGCHZGEEQI-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574155606 950203512 /nfs/dbraw/zinc/20/35/12/950203512.db2.gz ORYLETJLKUXYQP-JTQLQIEISA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574155606 950203528 /nfs/dbraw/zinc/20/35/28/950203528.db2.gz ORYLETJLKUXYQP-JTQLQIEISA-N -1 1 386.420 0.352 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1-c1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574983234 950210290 /nfs/dbraw/zinc/21/02/90/950210290.db2.gz KTOPBPSEUDPATM-SNVBAGLBSA-N -1 1 391.399 0.672 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1-c1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574983234 950210302 /nfs/dbraw/zinc/21/03/02/950210302.db2.gz KTOPBPSEUDPATM-SNVBAGLBSA-N -1 1 391.399 0.672 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1COCCO1 ZINC001574155836 950211380 /nfs/dbraw/zinc/21/13/80/950211380.db2.gz SCBCQAXARXVZMC-DGCLKSJQSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1COCCO1 ZINC001574155836 950211403 /nfs/dbraw/zinc/21/14/03/950211403.db2.gz SCBCQAXARXVZMC-DGCLKSJQSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccn(C)n1 ZINC001574155988 950215520 /nfs/dbraw/zinc/21/55/20/950215520.db2.gz TVRYUSPEBOBSFW-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccn(C)n1 ZINC001574155988 950215542 /nfs/dbraw/zinc/21/55/42/950215542.db2.gz TVRYUSPEBOBSFW-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccn(C)n1 ZINC001574155989 950215818 /nfs/dbraw/zinc/21/58/18/950215818.db2.gz TVRYUSPEBOBSFW-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccn(C)n1 ZINC001574155989 950215833 /nfs/dbraw/zinc/21/58/33/950215833.db2.gz TVRYUSPEBOBSFW-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192027 950219114 /nfs/dbraw/zinc/21/91/14/950219114.db2.gz JJURZNXHFBHKBI-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192027 950219137 /nfs/dbraw/zinc/21/91/37/950219137.db2.gz JJURZNXHFBHKBI-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1OCCCO1 ZINC001574156071 950221918 /nfs/dbraw/zinc/22/19/18/950221918.db2.gz VYNHECNLJVWDTJ-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1OCCCO1 ZINC001574156071 950221935 /nfs/dbraw/zinc/22/19/35/950221935.db2.gz VYNHECNLJVWDTJ-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192030 950223730 /nfs/dbraw/zinc/22/37/30/950223730.db2.gz JJURZNXHFBHKBI-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192030 950223753 /nfs/dbraw/zinc/22/37/53/950223753.db2.gz JJURZNXHFBHKBI-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574497058 950223883 /nfs/dbraw/zinc/22/38/83/950223883.db2.gz YRYNQDNUIDICAI-NWDGAFQWSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574740209 950224213 /nfs/dbraw/zinc/22/42/13/950224213.db2.gz BXKZHSSFEJDWMY-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574740209 950224231 /nfs/dbraw/zinc/22/42/31/950224231.db2.gz BXKZHSSFEJDWMY-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574497354 950230820 /nfs/dbraw/zinc/23/08/20/950230820.db2.gz ZQUFQRDTVNQJTC-NWDGAFQWSA-N -1 1 376.465 0.430 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574741116 950232392 /nfs/dbraw/zinc/23/23/92/950232392.db2.gz GSRDYPUFGVWILH-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574741116 950232407 /nfs/dbraw/zinc/23/24/07/950232407.db2.gz GSRDYPUFGVWILH-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNC(=O)c1cnc[nH]c1=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574983685 950235130 /nfs/dbraw/zinc/23/51/30/950235130.db2.gz QPPUKIYXQSNEBI-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@@H](CNC(=O)c1cnc[nH]c1=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574983685 950235151 /nfs/dbraw/zinc/23/51/51/950235151.db2.gz QPPUKIYXQSNEBI-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574157565 950240353 /nfs/dbraw/zinc/24/03/53/950240353.db2.gz DAVKRXGXRLHCTG-NEPJUHHUSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574157565 950240388 /nfs/dbraw/zinc/24/03/88/950240388.db2.gz DAVKRXGXRLHCTG-NEPJUHHUSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574741207 950240908 /nfs/dbraw/zinc/24/09/08/950240908.db2.gz IGZAYLIHQWGIQS-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CO[C@H]1CCOC1 ZINC001574157548 950240976 /nfs/dbraw/zinc/24/09/76/950240976.db2.gz CRDXVWVOSZPMCV-STQMWFEESA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CO[C@H]1CCOC1 ZINC001574157548 950240990 /nfs/dbraw/zinc/24/09/90/950240990.db2.gz CRDXVWVOSZPMCV-STQMWFEESA-N -1 1 390.448 0.405 20 0 GCADMM C[C@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574741207 950240923 /nfs/dbraw/zinc/24/09/23/950240923.db2.gz IGZAYLIHQWGIQS-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574497767 950242130 /nfs/dbraw/zinc/24/21/30/950242130.db2.gz CNYMEGVBTWNEHU-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574497767 950242151 /nfs/dbraw/zinc/24/21/51/950242151.db2.gz CNYMEGVBTWNEHU-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192588 950251663 /nfs/dbraw/zinc/25/16/63/950251663.db2.gz NTZWLOHANYYYQU-NWDGAFQWSA-N -1 1 382.432 0.022 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cncn1C ZINC001574157922 950261692 /nfs/dbraw/zinc/26/16/92/950261692.db2.gz LBQJZJLJTNMVET-LBPRGKRZSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574984138 950262204 /nfs/dbraw/zinc/26/22/04/950262204.db2.gz VTQAPYIIXMXJPF-YFKPBYRVSA-N -1 1 381.809 0.290 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574984138 950262226 /nfs/dbraw/zinc/26/22/26/950262226.db2.gz VTQAPYIIXMXJPF-YFKPBYRVSA-N -1 1 381.809 0.290 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cncc(F)c1 ZINC001574157944 950262441 /nfs/dbraw/zinc/26/24/41/950262441.db2.gz LLTYUZVOHNHVIN-ZDUSSCGKSA-N -1 1 385.407 0.869 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574498219 950263965 /nfs/dbraw/zinc/26/39/65/950263965.db2.gz LIOMZQMNMUIKSI-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574498219 950263984 /nfs/dbraw/zinc/26/39/84/950263984.db2.gz LIOMZQMNMUIKSI-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cncn1 ZINC001574158103 950270874 /nfs/dbraw/zinc/27/08/74/950270874.db2.gz OEFOHOIDEPQHBP-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cncn1 ZINC001574158103 950270895 /nfs/dbraw/zinc/27/08/95/950270895.db2.gz OEFOHOIDEPQHBP-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@]1(C(=O)NCCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575592015 950270981 /nfs/dbraw/zinc/27/09/81/950270981.db2.gz AEQRXRYCEDBLJK-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cncn1 ZINC001574158101 950273244 /nfs/dbraw/zinc/27/32/44/950273244.db2.gz OEFOHOIDEPQHBP-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cncn1 ZINC001574158101 950273259 /nfs/dbraw/zinc/27/32/59/950273259.db2.gz OEFOHOIDEPQHBP-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192898 950273722 /nfs/dbraw/zinc/27/37/22/950273722.db2.gz RFIDKUXNQDSVBS-QWHCGFSZSA-N -1 1 379.428 0.684 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C)c1N ZINC001574158423 950276270 /nfs/dbraw/zinc/27/62/70/950276270.db2.gz AEDCJGYVMCEAEF-JTQLQIEISA-N -1 1 385.436 0.229 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C)c1N ZINC001574158423 950276283 /nfs/dbraw/zinc/27/62/83/950276283.db2.gz AEDCJGYVMCEAEF-JTQLQIEISA-N -1 1 385.436 0.229 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574984535 950277820 /nfs/dbraw/zinc/27/78/20/950277820.db2.gz YVTOBMVMEZPKQN-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574984535 950277844 /nfs/dbraw/zinc/27/78/44/950277844.db2.gz YVTOBMVMEZPKQN-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193056 950280885 /nfs/dbraw/zinc/28/08/85/950280885.db2.gz RHLUOFWZWXZMAP-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193056 950280903 /nfs/dbraw/zinc/28/09/03/950280903.db2.gz RHLUOFWZWXZMAP-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1=O ZINC001573850903 950284587 /nfs/dbraw/zinc/28/45/87/950284587.db2.gz OIAXICZJGNUVEZ-NSHDSACASA-N -1 1 388.432 0.791 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1=O ZINC001573850903 950284606 /nfs/dbraw/zinc/28/46/06/950284606.db2.gz OIAXICZJGNUVEZ-NSHDSACASA-N -1 1 388.432 0.791 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cscn1 ZINC001574158778 950288718 /nfs/dbraw/zinc/28/87/18/950288718.db2.gz SKYPCSTWCLFYDX-LLVKDONJSA-N -1 1 387.473 0.721 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574498870 950289577 /nfs/dbraw/zinc/28/95/77/950289577.db2.gz QPHWVYJBRWORHI-TZMCWYRMSA-N -1 1 382.428 0.161 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)CC(N)=O ZINC001574158827 950290499 /nfs/dbraw/zinc/29/04/99/950290499.db2.gz CLVTXYOUCUBHAE-QWRGUYRKSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)CC(N)=O ZINC001574158827 950290515 /nfs/dbraw/zinc/29/05/15/950290515.db2.gz CLVTXYOUCUBHAE-QWRGUYRKSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc[nH]c1=O ZINC001574158861 950290827 /nfs/dbraw/zinc/29/08/27/950290827.db2.gz DGVZPSITQSWKAK-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc[nH]c1=O ZINC001574158861 950290840 /nfs/dbraw/zinc/29/08/40/950290840.db2.gz DGVZPSITQSWKAK-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)CO1 ZINC001573851371 950291234 /nfs/dbraw/zinc/29/12/34/950291234.db2.gz WIBGWIQKOIXJKM-VHSXEESVSA-N -1 1 377.405 0.813 20 0 GCADMM C[C@H](CC(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CC1 ZINC001574499192 950294978 /nfs/dbraw/zinc/29/49/78/950294978.db2.gz SOXSMSDYEVUSQA-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CC1 ZINC001574499192 950294989 /nfs/dbraw/zinc/29/49/89/950294989.db2.gz SOXSMSDYEVUSQA-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574499041 950295163 /nfs/dbraw/zinc/29/51/63/950295163.db2.gz RSIMNVBUGBFKDF-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574499041 950295180 /nfs/dbraw/zinc/29/51/80/950295180.db2.gz RSIMNVBUGBFKDF-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001574159337 950301565 /nfs/dbraw/zinc/30/15/65/950301565.db2.gz FOPQJWDNUJRJTQ-CHWSQXEVSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001574159337 950301586 /nfs/dbraw/zinc/30/15/86/950301586.db2.gz FOPQJWDNUJRJTQ-CHWSQXEVSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573852348 950301656 /nfs/dbraw/zinc/30/16/56/950301656.db2.gz FRFVHBPEIHKJBZ-AYVTZFPOSA-N -1 1 378.393 0.289 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573852348 950301676 /nfs/dbraw/zinc/30/16/76/950301676.db2.gz FRFVHBPEIHKJBZ-AYVTZFPOSA-N -1 1 378.393 0.289 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574499730 950303494 /nfs/dbraw/zinc/30/34/94/950303494.db2.gz WLCOBCVHFNOEEN-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574499730 950303511 /nfs/dbraw/zinc/30/35/11/950303511.db2.gz WLCOBCVHFNOEEN-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](CO)C1 ZINC001573852415 950305211 /nfs/dbraw/zinc/30/52/11/950305211.db2.gz IBUHZKYTAMLGGM-GFCCVEGCSA-N -1 1 389.416 0.316 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](CO)C1 ZINC001573852415 950305234 /nfs/dbraw/zinc/30/52/34/950305234.db2.gz IBUHZKYTAMLGGM-GFCCVEGCSA-N -1 1 389.416 0.316 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1cn[nH]c1 ZINC001574159386 950307238 /nfs/dbraw/zinc/30/72/38/950307238.db2.gz GTFMPXYPQKXULV-ZDUSSCGKSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001574159386 950307259 /nfs/dbraw/zinc/30/72/59/950307259.db2.gz GTFMPXYPQKXULV-ZDUSSCGKSA-N -1 1 384.448 0.955 20 0 GCADMM C[C@@]1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575593168 950307955 /nfs/dbraw/zinc/30/79/55/950307955.db2.gz MBETXMFVZRVYPA-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575593168 950307976 /nfs/dbraw/zinc/30/79/76/950307976.db2.gz MBETXMFVZRVYPA-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193747 950313246 /nfs/dbraw/zinc/31/32/46/950313246.db2.gz WTWLGOZFPFJCQS-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193747 950313265 /nfs/dbraw/zinc/31/32/65/950313265.db2.gz WTWLGOZFPFJCQS-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM CC1(C(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001575593497 950319318 /nfs/dbraw/zinc/31/93/18/950319318.db2.gz GKUJRNJMZRCKSG-UHFFFAOYSA-N -1 1 386.460 0.594 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574501048 950320309 /nfs/dbraw/zinc/32/03/09/950320309.db2.gz AOSDBHSNAPOQQF-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574501048 950320330 /nfs/dbraw/zinc/32/03/30/950320330.db2.gz AOSDBHSNAPOQQF-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001573853464 950320802 /nfs/dbraw/zinc/32/08/02/950320802.db2.gz PMHZESRZMBWWTE-LBPRGKRZSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001573853464 950320823 /nfs/dbraw/zinc/32/08/23/950320823.db2.gz PMHZESRZMBWWTE-LBPRGKRZSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573853461 950322680 /nfs/dbraw/zinc/32/26/80/950322680.db2.gz PKGLEXBZSIKDFW-UHFFFAOYSA-N -1 1 380.430 0.526 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193999 950323437 /nfs/dbraw/zinc/32/34/37/950323437.db2.gz XKABZHWDGXLYNZ-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193999 950323457 /nfs/dbraw/zinc/32/34/57/950323457.db2.gz XKABZHWDGXLYNZ-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194001 950323977 /nfs/dbraw/zinc/32/39/77/950323977.db2.gz XKABZHWDGXLYNZ-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194001 950323997 /nfs/dbraw/zinc/32/39/97/950323997.db2.gz XKABZHWDGXLYNZ-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc[nH]c1=O ZINC001574159932 950327598 /nfs/dbraw/zinc/32/75/98/950327598.db2.gz ZXSVKGIOFUKWEQ-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001573853725 950330096 /nfs/dbraw/zinc/33/00/96/950330096.db2.gz UTVVBLNDCYYQSF-KRWDZBQOSA-N -1 1 388.432 0.873 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001573853725 950330114 /nfs/dbraw/zinc/33/01/14/950330114.db2.gz UTVVBLNDCYYQSF-KRWDZBQOSA-N -1 1 388.432 0.873 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cncn1 ZINC001574160529 950336931 /nfs/dbraw/zinc/33/69/31/950336931.db2.gz NSPVJNVXLVVUPZ-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cncn1 ZINC001574160529 950336952 /nfs/dbraw/zinc/33/69/52/950336952.db2.gz NSPVJNVXLVVUPZ-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574743758 950338742 /nfs/dbraw/zinc/33/87/42/950338742.db2.gz VVSLLFDZQWSJAG-XVMARJQXSA-N -1 1 384.853 0.357 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001573854257 950339743 /nfs/dbraw/zinc/33/97/43/950339743.db2.gz XZCBBGVJQDOTAL-UHFFFAOYSA-N -1 1 377.409 0.081 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001573854257 950339763 /nfs/dbraw/zinc/33/97/63/950339763.db2.gz XZCBBGVJQDOTAL-UHFFFAOYSA-N -1 1 377.409 0.081 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](O)C1 ZINC001573854048 950340256 /nfs/dbraw/zinc/34/02/56/950340256.db2.gz XVBCVDNFQGMGOU-ZWNOBZJWSA-N -1 1 389.416 0.362 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](O)C1 ZINC001573854048 950340275 /nfs/dbraw/zinc/34/02/75/950340275.db2.gz XVBCVDNFQGMGOU-ZWNOBZJWSA-N -1 1 389.416 0.362 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194471 950341776 /nfs/dbraw/zinc/34/17/76/950341776.db2.gz ZCXWMSMNQPWQKA-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194471 950341796 /nfs/dbraw/zinc/34/17/96/950341796.db2.gz ZCXWMSMNQPWQKA-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576194465 950342307 /nfs/dbraw/zinc/34/23/07/950342307.db2.gz ZBRIAAYNQOCOES-MNOVXSKESA-N -1 1 385.457 0.745 20 0 GCADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576194466 950343616 /nfs/dbraw/zinc/34/36/16/950343616.db2.gz ZBRIAAYNQOCOES-QWRGUYRKSA-N -1 1 385.457 0.745 20 0 GCADMM C[C@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574744187 950344896 /nfs/dbraw/zinc/34/48/96/950344896.db2.gz XHSSFNLBLDZQKN-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM C[C@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574744187 950344924 /nfs/dbraw/zinc/34/49/24/950344924.db2.gz XHSSFNLBLDZQKN-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001573854753 950347971 /nfs/dbraw/zinc/34/79/71/950347971.db2.gz FLLJFDGINNBUND-UNJBNNCHSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001573854753 950347989 /nfs/dbraw/zinc/34/79/89/950347989.db2.gz FLLJFDGINNBUND-UNJBNNCHSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@]1(C(=O)NCCNc2ccnc(-c3nn[n-]n3)n2)CCCc2ccccc21 ZINC001575595291 950350357 /nfs/dbraw/zinc/35/03/57/950350357.db2.gz YVOGKFDQQQNDEU-LJQANCHMSA-N -1 1 378.440 0.901 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001574161534 950362325 /nfs/dbraw/zinc/36/23/25/950362325.db2.gz VSKHBFZLYRFEMW-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001574161534 950362353 /nfs/dbraw/zinc/36/23/53/950362353.db2.gz VSKHBFZLYRFEMW-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574744963 950366236 /nfs/dbraw/zinc/36/62/36/950366236.db2.gz DGMZUEBKPNKHBZ-SSDOTTSWSA-N -1 1 378.347 0.312 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1OCCCO1 ZINC001574162058 950375161 /nfs/dbraw/zinc/37/51/61/950375161.db2.gz YNQFNXKHKVKYGG-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1OCCCO1 ZINC001574162058 950375181 /nfs/dbraw/zinc/37/51/81/950375181.db2.gz YNQFNXKHKVKYGG-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574502494 950386992 /nfs/dbraw/zinc/38/69/92/950386992.db2.gz OAAGVFMXKGTCEU-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574502494 950387013 /nfs/dbraw/zinc/38/70/13/950387013.db2.gz OAAGVFMXKGTCEU-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574502508 950387107 /nfs/dbraw/zinc/38/71/07/950387107.db2.gz ONGYZDGAVDDCJD-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574502508 950387129 /nfs/dbraw/zinc/38/71/29/950387129.db2.gz ONGYZDGAVDDCJD-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574746241 950392155 /nfs/dbraw/zinc/39/21/55/950392155.db2.gz NAKBIKBKKSJMNT-MRVPVSSYSA-N -1 1 390.358 0.379 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001573856747 950392469 /nfs/dbraw/zinc/39/24/69/950392469.db2.gz HJPWGBJDKQMKCC-LLVKDONJSA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001573856747 950392490 /nfs/dbraw/zinc/39/24/90/950392490.db2.gz HJPWGBJDKQMKCC-LLVKDONJSA-N -1 1 378.389 0.825 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)CCCCC1 ZINC001575597089 950395789 /nfs/dbraw/zinc/39/57/89/950395789.db2.gz XQPIEMSSHSVSQM-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574746710 950396407 /nfs/dbraw/zinc/39/64/07/950396407.db2.gz ONBRKTMMZABBPJ-JTQLQIEISA-N -1 1 386.420 0.279 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1CCO ZINC001573857048 950399159 /nfs/dbraw/zinc/39/91/59/950399159.db2.gz LWTJEBAIORUFAN-LLVKDONJSA-N -1 1 376.421 0.465 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1CCO ZINC001573857048 950399182 /nfs/dbraw/zinc/39/91/82/950399182.db2.gz LWTJEBAIORUFAN-LLVKDONJSA-N -1 1 376.421 0.465 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)CCCCC1 ZINC001575597088 950400655 /nfs/dbraw/zinc/40/06/55/950400655.db2.gz XQPIEMSSHSVSQM-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001573857123 950403351 /nfs/dbraw/zinc/40/33/51/950403351.db2.gz OPHGAGMAPPGMTC-OAHLLOKOSA-N -1 1 378.393 0.312 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CC1 ZINC001574503313 950403646 /nfs/dbraw/zinc/40/36/46/950403646.db2.gz UKNLGRCVZQGKQH-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CC1 ZINC001574503313 950403667 /nfs/dbraw/zinc/40/36/67/950403667.db2.gz UKNLGRCVZQGKQH-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573857436 950404785 /nfs/dbraw/zinc/40/47/85/950404785.db2.gz QNYOKXUQNLKCQK-JTQLQIEISA-N -1 1 395.445 0.575 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573857436 950404797 /nfs/dbraw/zinc/40/47/97/950404797.db2.gz QNYOKXUQNLKCQK-JTQLQIEISA-N -1 1 395.445 0.575 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573857683 950408143 /nfs/dbraw/zinc/40/81/43/950408143.db2.gz WUHBHWCAYDENHD-NSHDSACASA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573857683 950408165 /nfs/dbraw/zinc/40/81/65/950408165.db2.gz WUHBHWCAYDENHD-NSHDSACASA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573857521 950408311 /nfs/dbraw/zinc/40/83/11/950408311.db2.gz UDWABJFJTUGAEB-HNNXBMFYSA-N -1 1 378.393 0.554 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573857521 950408329 /nfs/dbraw/zinc/40/83/29/950408329.db2.gz UDWABJFJTUGAEB-HNNXBMFYSA-N -1 1 378.393 0.554 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574503444 950409256 /nfs/dbraw/zinc/40/92/56/950409256.db2.gz WHVYHTNGBBOFAV-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574503444 950409267 /nfs/dbraw/zinc/40/92/67/950409267.db2.gz WHVYHTNGBBOFAV-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574747851 950422298 /nfs/dbraw/zinc/42/22/98/950422298.db2.gz YZWBNOQDNFYNKD-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574747851 950422309 /nfs/dbraw/zinc/42/23/09/950422309.db2.gz YZWBNOQDNFYNKD-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001574163367 950422940 /nfs/dbraw/zinc/42/29/40/950422940.db2.gz SQADDXHJCZCEQG-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001574163367 950422956 /nfs/dbraw/zinc/42/29/56/950422956.db2.gz SQADDXHJCZCEQG-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccnc1 ZINC001574163526 950426105 /nfs/dbraw/zinc/42/61/05/950426105.db2.gz VMEQODUQXVFCNW-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccnc1 ZINC001574163526 950426135 /nfs/dbraw/zinc/42/61/35/950426135.db2.gz VMEQODUQXVFCNW-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574163562 950428982 /nfs/dbraw/zinc/42/89/82/950428982.db2.gz WDCOVLRFVQPGLH-NEPJUHHUSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574163562 950428997 /nfs/dbraw/zinc/42/89/97/950428997.db2.gz WDCOVLRFVQPGLH-NEPJUHHUSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H](CC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574506619 950436594 /nfs/dbraw/zinc/43/65/94/950436594.db2.gz AXAFODGJZNXOKH-OLZOCXBDSA-N -1 1 381.444 0.974 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@H]2O)CCC1 ZINC001575604965 950449460 /nfs/dbraw/zinc/44/94/60/950449460.db2.gz IBQMQEQBMCYIQO-SFYZADRCSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@H]2O)CCC1 ZINC001575604965 950449477 /nfs/dbraw/zinc/44/94/77/950449477.db2.gz IBQMQEQBMCYIQO-SFYZADRCSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(=O)c1ccccc1 ZINC001574507592 950458203 /nfs/dbraw/zinc/45/82/03/950458203.db2.gz FZWMCWUTLNKJGF-NSHDSACASA-N -1 1 397.395 0.154 20 0 GCADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575605473 950463095 /nfs/dbraw/zinc/46/30/95/950463095.db2.gz PGJGBDZKXXOTQD-UPJWGTAASA-N -1 1 384.444 0.699 20 0 GCADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575605473 950463106 /nfs/dbraw/zinc/46/31/06/950463106.db2.gz PGJGBDZKXXOTQD-UPJWGTAASA-N -1 1 384.444 0.699 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cncn1C ZINC001575912573 950464389 /nfs/dbraw/zinc/46/43/89/950464389.db2.gz HHCKWNNXAJROPM-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575912637 950469843 /nfs/dbraw/zinc/46/98/43/950469843.db2.gz HXAZCDKOPVODDH-KOLCDFICSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575912637 950469849 /nfs/dbraw/zinc/46/98/49/950469849.db2.gz HXAZCDKOPVODDH-KOLCDFICSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1nccn1C ZINC001575913154 950476819 /nfs/dbraw/zinc/47/68/19/950476819.db2.gz IWSLSFMWQKYVRD-NEPJUHHUSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1nccn1C ZINC001575913154 950476839 /nfs/dbraw/zinc/47/68/39/950476839.db2.gz IWSLSFMWQKYVRD-NEPJUHHUSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574508267 950477587 /nfs/dbraw/zinc/47/75/87/950477587.db2.gz NAUDQYAXMSXNQK-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574508267 950477602 /nfs/dbraw/zinc/47/76/02/950477602.db2.gz NAUDQYAXMSXNQK-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574508674 950483283 /nfs/dbraw/zinc/48/32/83/950483283.db2.gz LYKGNVKXGUIFNW-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](CC(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574508674 950483312 /nfs/dbraw/zinc/48/33/12/950483312.db2.gz LYKGNVKXGUIFNW-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752436 950486271 /nfs/dbraw/zinc/48/62/71/950486271.db2.gz CGRFFMPQWCGPNG-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752436 950486283 /nfs/dbraw/zinc/48/62/83/950486283.db2.gz CGRFFMPQWCGPNG-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574994977 950496398 /nfs/dbraw/zinc/49/63/98/950496398.db2.gz BMPPEBYXWSGUSA-SSDOTTSWSA-N -1 1 392.221 0.400 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574995259 950501394 /nfs/dbraw/zinc/50/13/94/950501394.db2.gz CPNMMSIXBPWKPX-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866409 950502206 /nfs/dbraw/zinc/50/22/06/950502206.db2.gz BCOMXUNRXMUVLR-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866409 950502223 /nfs/dbraw/zinc/50/22/23/950502223.db2.gz BCOMXUNRXMUVLR-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574509509 950513663 /nfs/dbraw/zinc/51/36/63/950513663.db2.gz WFBRPPROYOZWKW-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574509509 950513680 /nfs/dbraw/zinc/51/36/80/950513680.db2.gz WFBRPPROYOZWKW-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866922 950515812 /nfs/dbraw/zinc/51/58/12/950515812.db2.gz NSILMCTZIXEAJH-JSGCOSHPSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866922 950515829 /nfs/dbraw/zinc/51/58/29/950515829.db2.gz NSILMCTZIXEAJH-JSGCOSHPSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574996002 950520196 /nfs/dbraw/zinc/52/01/96/950520196.db2.gz JLQFMTZAAOHTOI-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574996002 950520213 /nfs/dbraw/zinc/52/02/13/950520213.db2.gz JLQFMTZAAOHTOI-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753403 950521002 /nfs/dbraw/zinc/52/10/02/950521002.db2.gz MLEGOLHKDMIURP-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753403 950521016 /nfs/dbraw/zinc/52/10/16/950521016.db2.gz MLEGOLHKDMIURP-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753402 950523101 /nfs/dbraw/zinc/52/31/01/950523101.db2.gz MLEGOLHKDMIURP-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753402 950523119 /nfs/dbraw/zinc/52/31/19/950523119.db2.gz MLEGOLHKDMIURP-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CC(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574509685 950523906 /nfs/dbraw/zinc/52/39/06/950523906.db2.gz VOZAIWNZVJTFSA-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573867111 950525260 /nfs/dbraw/zinc/52/52/60/950525260.db2.gz PLCDDGWRSYDTJO-UHFFFAOYSA-N -1 1 390.448 0.237 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573867111 950525281 /nfs/dbraw/zinc/52/52/81/950525281.db2.gz PLCDDGWRSYDTJO-UHFFFAOYSA-N -1 1 390.448 0.237 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574509710 950525668 /nfs/dbraw/zinc/52/56/68/950525668.db2.gz XPWODZTXXMYQAK-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574509710 950525686 /nfs/dbraw/zinc/52/56/86/950525686.db2.gz XPWODZTXXMYQAK-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574509772 950530645 /nfs/dbraw/zinc/53/06/45/950530645.db2.gz XWSLVHYFHVCMPH-GUBZILKMSA-N -1 1 384.366 0.974 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)nn1C ZINC001574996664 950531677 /nfs/dbraw/zinc/53/16/77/950531677.db2.gz NYOZTALRUMCSQN-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)nn1C ZINC001574996664 950531690 /nfs/dbraw/zinc/53/16/90/950531690.db2.gz NYOZTALRUMCSQN-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573868178 950537022 /nfs/dbraw/zinc/53/70/22/950537022.db2.gz ACMPNQQPEUOBDF-XIKOKIGWSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1cccn1 ZINC001575916595 950543236 /nfs/dbraw/zinc/54/32/36/950543236.db2.gz QUNKAZRAOZBSFM-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1cccn1 ZINC001575916595 950543254 /nfs/dbraw/zinc/54/32/54/950543254.db2.gz QUNKAZRAOZBSFM-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574997406 950544030 /nfs/dbraw/zinc/54/40/30/950544030.db2.gz UPOFHQHSTKQUQS-JTQLQIEISA-N -1 1 392.379 0.994 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574997406 950544047 /nfs/dbraw/zinc/54/40/47/950544047.db2.gz UPOFHQHSTKQUQS-JTQLQIEISA-N -1 1 392.379 0.994 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573868476 950544241 /nfs/dbraw/zinc/54/42/41/950544241.db2.gz CFCSDBZFLBMKOD-ZDUSSCGKSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1cccn1 ZINC001575916596 950545029 /nfs/dbraw/zinc/54/50/29/950545029.db2.gz QUNKAZRAOZBSFM-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1cccn1 ZINC001575916596 950545041 /nfs/dbraw/zinc/54/50/41/950545041.db2.gz QUNKAZRAOZBSFM-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573868915 950550805 /nfs/dbraw/zinc/55/08/05/950550805.db2.gz IFMUYTGDMJZATL-CYBMUJFWSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573868915 950550823 /nfs/dbraw/zinc/55/08/23/950550823.db2.gz IFMUYTGDMJZATL-CYBMUJFWSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574997873 950552838 /nfs/dbraw/zinc/55/28/38/950552838.db2.gz YVRQSASRIGSDEW-ZCFIWIBFSA-N -1 1 383.294 0.316 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573869123 950555525 /nfs/dbraw/zinc/55/55/25/950555525.db2.gz KSYNRAJTQQCPHX-OLZOCXBDSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573869123 950555536 /nfs/dbraw/zinc/55/55/36/950555536.db2.gz KSYNRAJTQQCPHX-OLZOCXBDSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573869176 950557323 /nfs/dbraw/zinc/55/73/23/950557323.db2.gz MCSCFLGZEJHYDG-STQMWFEESA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574998833 950558303 /nfs/dbraw/zinc/55/83/03/950558303.db2.gz BDYMBTUHAQTNAK-QMMMGPOBSA-N -1 1 390.358 0.639 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574998833 950558323 /nfs/dbraw/zinc/55/83/23/950558323.db2.gz BDYMBTUHAQTNAK-QMMMGPOBSA-N -1 1 390.358 0.639 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccco1 ZINC001574511634 950564046 /nfs/dbraw/zinc/56/40/46/950564046.db2.gz PJXVBASIQJSQAI-QJPTWQEYSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccco1 ZINC001574511634 950564059 /nfs/dbraw/zinc/56/40/59/950564059.db2.gz PJXVBASIQJSQAI-QJPTWQEYSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccco1 ZINC001574511633 950564174 /nfs/dbraw/zinc/56/41/74/950564174.db2.gz PJXVBASIQJSQAI-IJLUTSLNSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccco1 ZINC001574511633 950564193 /nfs/dbraw/zinc/56/41/93/950564193.db2.gz PJXVBASIQJSQAI-IJLUTSLNSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)CC(C)(C)C ZINC001574511564 950566129 /nfs/dbraw/zinc/56/61/29/950566129.db2.gz LXDRNVZHHNHTQI-YNEHKIRRSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)CC(C)(C)C ZINC001574511564 950566144 /nfs/dbraw/zinc/56/61/44/950566144.db2.gz LXDRNVZHHNHTQI-YNEHKIRRSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1ccnc1 ZINC001574511730 950570580 /nfs/dbraw/zinc/57/05/80/950570580.db2.gz SDKCQAPIBZQHPE-FRRDWIJNSA-N -1 1 382.432 0.445 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573869623 950571302 /nfs/dbraw/zinc/57/13/02/950571302.db2.gz ANQWHCADEWRKLV-SSDOTTSWSA-N -1 1 389.869 0.681 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573869623 950571317 /nfs/dbraw/zinc/57/13/17/950571317.db2.gz ANQWHCADEWRKLV-SSDOTTSWSA-N -1 1 389.869 0.681 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573869916 950576726 /nfs/dbraw/zinc/57/67/26/950576726.db2.gz RKUJHLGTCKRHAO-AVGNSLFASA-N -1 1 386.460 0.945 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574999404 950579382 /nfs/dbraw/zinc/57/93/82/950579382.db2.gz JBTZXAGJOHIYQO-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574999404 950579394 /nfs/dbraw/zinc/57/93/94/950579394.db2.gz JBTZXAGJOHIYQO-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575918135 950584188 /nfs/dbraw/zinc/58/41/88/950584188.db2.gz AOCGOBPWKLWFRG-SFYZADRCSA-N -1 1 391.848 0.904 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575918136 950585799 /nfs/dbraw/zinc/58/57/99/950585799.db2.gz AOCGOBPWKLWFRG-YUMQZZPRSA-N -1 1 391.848 0.904 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)n1ccnc1 ZINC001574512719 950586327 /nfs/dbraw/zinc/58/63/27/950586327.db2.gz AUGOVTYSXNEENX-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575918416 950588909 /nfs/dbraw/zinc/58/89/09/950588909.db2.gz BUKTXTOFVYJEEV-BDAKNGLRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575918416 950588925 /nfs/dbraw/zinc/58/89/25/950588925.db2.gz BUKTXTOFVYJEEV-BDAKNGLRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575000060 950594621 /nfs/dbraw/zinc/59/46/21/950594621.db2.gz ORNRZAAFLCAYGP-SNVBAGLBSA-N -1 1 382.432 0.168 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575918781 950599998 /nfs/dbraw/zinc/59/99/98/950599998.db2.gz FBSZAMSPJVIWCH-SCZZXKLOSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575918781 950600017 /nfs/dbraw/zinc/60/00/17/950600017.db2.gz FBSZAMSPJVIWCH-SCZZXKLOSA-N -1 1 383.372 0.064 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)C1(C)C ZINC001575617469 950602969 /nfs/dbraw/zinc/60/29/69/950602969.db2.gz BUOHFHSDAPNJEI-WDEREUQCSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)C1(C)C ZINC001575617469 950602983 /nfs/dbraw/zinc/60/29/83/950602983.db2.gz BUOHFHSDAPNJEI-WDEREUQCSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575000285 950603279 /nfs/dbraw/zinc/60/32/79/950603279.db2.gz CBTVYYPIXSCLPW-JTQLQIEISA-N -1 1 381.400 0.607 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575000285 950603300 /nfs/dbraw/zinc/60/33/00/950603300.db2.gz CBTVYYPIXSCLPW-JTQLQIEISA-N -1 1 381.400 0.607 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)n1cccn1 ZINC001574513335 950603820 /nfs/dbraw/zinc/60/38/20/950603820.db2.gz OTZXGHOEVBRWCZ-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)n1cccn1 ZINC001574513335 950603835 /nfs/dbraw/zinc/60/38/35/950603835.db2.gz OTZXGHOEVBRWCZ-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575919411 950613422 /nfs/dbraw/zinc/61/34/22/950613422.db2.gz HTYSHVCYMZGOFR-OCCSQVGLSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575919676 950619694 /nfs/dbraw/zinc/61/96/94/950619694.db2.gz JRHRPIWVZZCQBR-CMPLNLGQSA-N -1 1 379.428 0.611 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574513747 950620855 /nfs/dbraw/zinc/62/08/55/950620855.db2.gz XYANMAFAHXYESB-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574513747 950620865 /nfs/dbraw/zinc/62/08/65/950620865.db2.gz XYANMAFAHXYESB-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)C1(C)C ZINC001575619902 950628308 /nfs/dbraw/zinc/62/83/08/950628308.db2.gz TWDYPNLUOCOSGT-WDEREUQCSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759240 950630237 /nfs/dbraw/zinc/63/02/37/950630237.db2.gz AGSYDQZCTAMSRO-VIFPVBQESA-N -1 1 392.374 0.113 20 0 GCADMM C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575001464 950630734 /nfs/dbraw/zinc/63/07/34/950630734.db2.gz KXDLEEDVAQNOKK-SECBINFHSA-N -1 1 381.400 0.476 20 0 GCADMM C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575001464 950630748 /nfs/dbraw/zinc/63/07/48/950630748.db2.gz KXDLEEDVAQNOKK-SECBINFHSA-N -1 1 381.400 0.476 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575920582 950631462 /nfs/dbraw/zinc/63/14/62/950631462.db2.gz MQDTXHULKPNRFM-BDAKNGLRSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574516271 950631513 /nfs/dbraw/zinc/63/15/13/950631513.db2.gz GWINCJLSWMCXSS-RTXFEEFZSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574516271 950631524 /nfs/dbraw/zinc/63/15/24/950631524.db2.gz GWINCJLSWMCXSS-RTXFEEFZSA-N -1 1 382.432 0.643 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001573871945 950631993 /nfs/dbraw/zinc/63/19/93/950631993.db2.gz XYQOBQVHRWUYTD-QGZVFWFLSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001573871945 950632006 /nfs/dbraw/zinc/63/20/06/950632006.db2.gz XYQOBQVHRWUYTD-QGZVFWFLSA-N -1 1 390.448 0.183 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575920260 950632945 /nfs/dbraw/zinc/63/29/45/950632945.db2.gz MAFCSJITNLWVQT-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575920260 950632967 /nfs/dbraw/zinc/63/29/67/950632967.db2.gz MAFCSJITNLWVQT-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574516430 950635552 /nfs/dbraw/zinc/63/55/52/950635552.db2.gz ITWAYTAOMXXCFF-WCFLWFBJSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574516430 950635571 /nfs/dbraw/zinc/63/55/71/950635571.db2.gz ITWAYTAOMXXCFF-WCFLWFBJSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574516428 950638342 /nfs/dbraw/zinc/63/83/42/950638342.db2.gz ITWAYTAOMXXCFF-RAIGVLPGSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574516428 950638351 /nfs/dbraw/zinc/63/83/51/950638351.db2.gz ITWAYTAOMXXCFF-RAIGVLPGSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575002033 950649861 /nfs/dbraw/zinc/64/98/61/950649861.db2.gz YQISICLKGKLDLE-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575002028 950650494 /nfs/dbraw/zinc/65/04/94/950650494.db2.gz YPLSMXFPSZFEHH-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575002028 950650514 /nfs/dbraw/zinc/65/05/14/950650514.db2.gz YPLSMXFPSZFEHH-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575923276 950653286 /nfs/dbraw/zinc/65/32/86/950653286.db2.gz QDJSQWDCWPLNHI-BDAKNGLRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575923276 950653299 /nfs/dbraw/zinc/65/32/99/950653299.db2.gz QDJSQWDCWPLNHI-BDAKNGLRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccncc1 ZINC001575923273 950654586 /nfs/dbraw/zinc/65/45/86/950654586.db2.gz QDBRWZWDARHWJA-JSGCOSHPSA-N -1 1 379.428 0.508 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574518680 950654878 /nfs/dbraw/zinc/65/48/78/950654878.db2.gz PLYGOKRJQBZXEF-WCFLWFBJSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574518680 950654890 /nfs/dbraw/zinc/65/48/90/950654890.db2.gz PLYGOKRJQBZXEF-WCFLWFBJSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccco1 ZINC001574518754 950659654 /nfs/dbraw/zinc/65/96/54/950659654.db2.gz RAUUFZCWSNLAAO-RHPZDQPFSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccco1 ZINC001574518754 950659677 /nfs/dbraw/zinc/65/96/77/950659677.db2.gz RAUUFZCWSNLAAO-RHPZDQPFSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575923312 950660815 /nfs/dbraw/zinc/66/08/15/950660815.db2.gz QVNNKXFDRVANSN-GXSJLCMTSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc2ccncc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760292 950662853 /nfs/dbraw/zinc/66/28/53/950662853.db2.gz VJOGISZPLCPFLB-NSHDSACASA-N -1 1 390.411 0.594 20 0 GCADMM CC1(C)CC(C(=O)N2CCC(O)(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001575624223 950666547 /nfs/dbraw/zinc/66/65/47/950666547.db2.gz HSYFBQSKGPKBHN-UHFFFAOYSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC(C(=O)N2CCC(O)(CNc3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001575624223 950666560 /nfs/dbraw/zinc/66/65/60/950666560.db2.gz HSYFBQSKGPKBHN-UHFFFAOYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760525 950667730 /nfs/dbraw/zinc/66/77/30/950667730.db2.gz WNLRAUNWXRXSQV-LLVKDONJSA-N -1 1 379.428 0.924 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](CO)Nc1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575624869 950675647 /nfs/dbraw/zinc/67/56/47/950675647.db2.gz PUIWXIHUZWWGHI-LASWEOPPSA-N -1 1 386.460 0.184 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575005341 950680403 /nfs/dbraw/zinc/68/04/03/950680403.db2.gz BJHJZIWMJDCIJS-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575005341 950680415 /nfs/dbraw/zinc/68/04/15/950680415.db2.gz BJHJZIWMJDCIJS-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574519426 950680940 /nfs/dbraw/zinc/68/09/40/950680940.db2.gz VJRBNMWBAGKHKI-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574519426 950680952 /nfs/dbraw/zinc/68/09/52/950680952.db2.gz VJRBNMWBAGKHKI-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574519444 950681005 /nfs/dbraw/zinc/68/10/05/950681005.db2.gz VZDBISIVXILIJC-WCFLWFBJSA-N -1 1 382.432 0.065 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(F)(F)F ZINC001574519406 950682414 /nfs/dbraw/zinc/68/24/14/950682414.db2.gz UUNLYFARPKAJGM-SKNMHBRKSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(F)(F)F ZINC001574519406 950682429 /nfs/dbraw/zinc/68/24/29/950682429.db2.gz UUNLYFARPKAJGM-SKNMHBRKSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574519425 950682731 /nfs/dbraw/zinc/68/27/31/950682731.db2.gz VJRBNMWBAGKHKI-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574519425 950682740 /nfs/dbraw/zinc/68/27/40/950682740.db2.gz VJRBNMWBAGKHKI-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575005448 950684594 /nfs/dbraw/zinc/68/45/94/950684594.db2.gz FJAPLYJIQSTCEB-LLVKDONJSA-N -1 1 382.432 0.089 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575005449 950684644 /nfs/dbraw/zinc/68/46/44/950684644.db2.gz FJAPLYJIQSTCEB-NSHDSACASA-N -1 1 382.432 0.089 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cccn1 ZINC001575925551 950687656 /nfs/dbraw/zinc/68/76/56/950687656.db2.gz HHJFDLNVTZIHCX-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cccn1 ZINC001575925551 950687680 /nfs/dbraw/zinc/68/76/80/950687680.db2.gz HHJFDLNVTZIHCX-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574761000 950687783 /nfs/dbraw/zinc/68/77/83/950687783.db2.gz PYJLIIQRGUGBBH-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001575625641 950690446 /nfs/dbraw/zinc/69/04/46/950690446.db2.gz SXLZECMKZFRNNH-NEPJUHHUSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001575625641 950690466 /nfs/dbraw/zinc/69/04/66/950690466.db2.gz SXLZECMKZFRNNH-NEPJUHHUSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215264 950690943 /nfs/dbraw/zinc/69/09/43/950690943.db2.gz DXZCXDJNXDVYQT-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215264 950690957 /nfs/dbraw/zinc/69/09/57/950690957.db2.gz DXZCXDJNXDVYQT-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215261 950691476 /nfs/dbraw/zinc/69/14/76/950691476.db2.gz DXZCXDJNXDVYQT-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215261 950691489 /nfs/dbraw/zinc/69/14/89/950691489.db2.gz DXZCXDJNXDVYQT-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215649 950703412 /nfs/dbraw/zinc/70/34/12/950703412.db2.gz FRWHQHZCWGTNDP-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215649 950703420 /nfs/dbraw/zinc/70/34/20/950703420.db2.gz FRWHQHZCWGTNDP-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)N(C)CCNc3ccc(-c4nnn[n-]4)nn3)nc2C1 ZINC001576215697 950704241 /nfs/dbraw/zinc/70/42/41/950704241.db2.gz FTAWHIDWIGYXDF-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)N(C)CCNc3ccc(-c4nn[n-]n4)nn3)nc2C1 ZINC001576215697 950704263 /nfs/dbraw/zinc/70/42/63/950704263.db2.gz FTAWHIDWIGYXDF-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575926222 950707159 /nfs/dbraw/zinc/70/71/59/950707159.db2.gz WPDWKYQAXPAPPD-CHWSQXEVSA-N -1 1 382.432 0.157 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575926450 950708936 /nfs/dbraw/zinc/70/89/36/950708936.db2.gz KBTAABOGWBSLNH-DTWKUNHWSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575926450 950708950 /nfs/dbraw/zinc/70/89/50/950708950.db2.gz KBTAABOGWBSLNH-DTWKUNHWSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001576215821 950710895 /nfs/dbraw/zinc/71/08/95/950710895.db2.gz BPWZZRPTPSRWIO-KZULUSFZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001576215821 950710915 /nfs/dbraw/zinc/71/09/15/950710915.db2.gz BPWZZRPTPSRWIO-KZULUSFZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926439 950711227 /nfs/dbraw/zinc/71/12/27/950711227.db2.gz KBALFHZZYWOZJG-VXGBXAGGSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926439 950711244 /nfs/dbraw/zinc/71/12/44/950711244.db2.gz KBALFHZZYWOZJG-VXGBXAGGSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001576215823 950711506 /nfs/dbraw/zinc/71/15/06/950711506.db2.gz BPWZZRPTPSRWIO-SGTLLEGYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001576215823 950711517 /nfs/dbraw/zinc/71/15/17/950711517.db2.gz BPWZZRPTPSRWIO-SGTLLEGYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2nccn2c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763503 950719064 /nfs/dbraw/zinc/71/90/64/950719064.db2.gz CORJAQWTFOXHOM-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2nccn2c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763503 950719076 /nfs/dbraw/zinc/71/90/76/950719076.db2.gz CORJAQWTFOXHOM-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001573879457 950723927 /nfs/dbraw/zinc/72/39/27/950723927.db2.gz BYTNJCIVAYVLKK-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001573879457 950723939 /nfs/dbraw/zinc/72/39/39/950723939.db2.gz BYTNJCIVAYVLKK-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763643 950725186 /nfs/dbraw/zinc/72/51/86/950725186.db2.gz HDWKLMXKAQTNHZ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763643 950725196 /nfs/dbraw/zinc/72/51/96/950725196.db2.gz HDWKLMXKAQTNHZ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)no1 ZINC001573879392 950725189 /nfs/dbraw/zinc/72/51/89/950725189.db2.gz AHKLOIDJGJNTSF-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)no1 ZINC001573879392 950725201 /nfs/dbraw/zinc/72/52/01/950725201.db2.gz AHKLOIDJGJNTSF-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926852 950725863 /nfs/dbraw/zinc/72/58/63/950725863.db2.gz YRZDSRNTSQGAHL-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926852 950725883 /nfs/dbraw/zinc/72/58/83/950725883.db2.gz YRZDSRNTSQGAHL-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763635 950726125 /nfs/dbraw/zinc/72/61/25/950726125.db2.gz HCUWTWFQFNLLJQ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763635 950726141 /nfs/dbraw/zinc/72/61/41/950726141.db2.gz HCUWTWFQFNLLJQ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)no1 ZINC001573879576 950729085 /nfs/dbraw/zinc/72/90/85/950729085.db2.gz GVDAGRYXJYBNGQ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)no1 ZINC001573879576 950729099 /nfs/dbraw/zinc/72/90/99/950729099.db2.gz GVDAGRYXJYBNGQ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)no1 ZINC001573879577 950729293 /nfs/dbraw/zinc/72/92/93/950729293.db2.gz GVDAGRYXJYBNGQ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)no1 ZINC001573879577 950729306 /nfs/dbraw/zinc/72/93/06/950729306.db2.gz GVDAGRYXJYBNGQ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576216296 950729583 /nfs/dbraw/zinc/72/95/83/950729583.db2.gz DGJLPSHNTFYFPS-UWVGGRQHSA-N -1 1 380.403 0.876 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763885 950737391 /nfs/dbraw/zinc/73/73/91/950737391.db2.gz MYSUNZUHCYSPTE-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763885 950737398 /nfs/dbraw/zinc/73/73/98/950737398.db2.gz MYSUNZUHCYSPTE-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763880 950739033 /nfs/dbraw/zinc/73/90/33/950739033.db2.gz MWIITNCSCSRQBV-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763880 950739046 /nfs/dbraw/zinc/73/90/46/950739046.db2.gz MWIITNCSCSRQBV-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574181029 950740069 /nfs/dbraw/zinc/74/00/69/950740069.db2.gz IUBTXFYWIINJRD-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574181029 950740085 /nfs/dbraw/zinc/74/00/85/950740085.db2.gz IUBTXFYWIINJRD-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)[nH]n1 ZINC001573880076 950740524 /nfs/dbraw/zinc/74/05/24/950740524.db2.gz RAWVEUISJCXDSJ-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216629 950742280 /nfs/dbraw/zinc/74/22/80/950742280.db2.gz FAIJBVWWWVYEFI-RKDXNWHRSA-N -1 1 382.350 0.680 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncnc1 ZINC001575927478 950745312 /nfs/dbraw/zinc/74/53/12/950745312.db2.gz PQBFDDDGJMWLBJ-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncnc1 ZINC001575927478 950745325 /nfs/dbraw/zinc/74/53/25/950745325.db2.gz PQBFDDDGJMWLBJ-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574181752 950746784 /nfs/dbraw/zinc/74/67/84/950746784.db2.gz PIRMOJAHXLUTOW-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574181752 950746801 /nfs/dbraw/zinc/74/68/01/950746801.db2.gz PIRMOJAHXLUTOW-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)no1 ZINC001573880269 950747579 /nfs/dbraw/zinc/74/75/79/950747579.db2.gz XEVSUTIWCUNBRF-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)no1 ZINC001573880269 950747599 /nfs/dbraw/zinc/74/75/99/950747599.db2.gz XEVSUTIWCUNBRF-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764466 950752193 /nfs/dbraw/zinc/75/21/93/950752193.db2.gz UALXVRTWTBPXCD-JTQLQIEISA-N -1 1 380.416 0.319 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764511 950753474 /nfs/dbraw/zinc/75/34/74/950753474.db2.gz UQCFDRQWVIMJLH-NSHDSACASA-N -1 1 382.432 0.573 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576217071 950755054 /nfs/dbraw/zinc/75/50/54/950755054.db2.gz GTLBXRYQOJHXCX-APPDUMDISA-N -1 1 390.423 0.601 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576217071 950755064 /nfs/dbraw/zinc/75/50/64/950755064.db2.gz GTLBXRYQOJHXCX-APPDUMDISA-N -1 1 390.423 0.601 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574182098 950757940 /nfs/dbraw/zinc/75/79/40/950757940.db2.gz UKWFITCDTVHTCC-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574182098 950757952 /nfs/dbraw/zinc/75/79/52/950757952.db2.gz UKWFITCDTVHTCC-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1nccn1C ZINC001575927865 950759243 /nfs/dbraw/zinc/75/92/43/950759243.db2.gz VKGFCTVGTZBDTA-NEPJUHHUSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764782 950760278 /nfs/dbraw/zinc/76/02/78/950760278.db2.gz YEWQFZULWZRSRS-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764782 950760291 /nfs/dbraw/zinc/76/02/91/950760291.db2.gz YEWQFZULWZRSRS-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575927996 950768150 /nfs/dbraw/zinc/76/81/50/950768150.db2.gz XFMIYYYPIALLLC-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575927996 950768162 /nfs/dbraw/zinc/76/81/62/950768162.db2.gz XFMIYYYPIALLLC-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1CCn2cc(C(=O)N(C)CCNc3ccnc(-c4nn[n-]n4)n3)nc2C1 ZINC001576217720 950769402 /nfs/dbraw/zinc/76/94/02/950769402.db2.gz OAYIJZLRUAQMIX-NSHDSACASA-N -1 1 382.432 0.042 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575928125 950772875 /nfs/dbraw/zinc/77/28/75/950772875.db2.gz YYXMSYUSVLMPID-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575928125 950772889 /nfs/dbraw/zinc/77/28/89/950772889.db2.gz YYXMSYUSVLMPID-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)(C)c1cc2n(n1)CCN(C(=O)NCCn1cnc(-c3nn[n-]n3)n1)C2 ZINC001573882337 950777209 /nfs/dbraw/zinc/77/72/09/950777209.db2.gz ZQAJGIFMYIHGJQ-UHFFFAOYSA-N -1 1 385.436 0.178 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575929478 950781716 /nfs/dbraw/zinc/78/17/16/950781716.db2.gz CDALXUKTIAPBEK-GXSJLCMTSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575929478 950781724 /nfs/dbraw/zinc/78/17/24/950781724.db2.gz CDALXUKTIAPBEK-GXSJLCMTSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576218329 950785355 /nfs/dbraw/zinc/78/53/55/950785355.db2.gz QUYMCBMRAOKFFL-MNOVXSKESA-N -1 1 382.432 0.088 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001573884222 950790898 /nfs/dbraw/zinc/79/08/98/950790898.db2.gz BACFAHWIXOZJNK-MGCOHNPYSA-N -1 1 383.416 0.737 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884206 950790933 /nfs/dbraw/zinc/79/09/33/950790933.db2.gz APUPGCBPLZLAKL-SNVBAGLBSA-N -1 1 382.432 0.426 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574185025 950793498 /nfs/dbraw/zinc/79/34/98/950793498.db2.gz RMSYICHYPWMWLM-ZDUSSCGKSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574185025 950793510 /nfs/dbraw/zinc/79/35/10/950793510.db2.gz RMSYICHYPWMWLM-ZDUSSCGKSA-N -1 1 376.465 0.739 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765704 950797704 /nfs/dbraw/zinc/79/77/04/950797704.db2.gz JRZQQFGSIZDFIF-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765704 950797720 /nfs/dbraw/zinc/79/77/20/950797720.db2.gz JRZQQFGSIZDFIF-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576219652 950809156 /nfs/dbraw/zinc/80/91/56/950809156.db2.gz TUXBZQVSTMBBHD-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576219652 950809178 /nfs/dbraw/zinc/80/91/78/950809178.db2.gz TUXBZQVSTMBBHD-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@]2(O)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575632901 950809729 /nfs/dbraw/zinc/80/97/29/950809729.db2.gz PILGXMIUSWDIQX-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575632901 950809754 /nfs/dbraw/zinc/80/97/54/950809754.db2.gz PILGXMIUSWDIQX-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)co1 ZINC001573885076 950811726 /nfs/dbraw/zinc/81/17/26/950811726.db2.gz NUIAJRCAJDMOJU-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)co1 ZINC001573885076 950811749 /nfs/dbraw/zinc/81/17/49/950811749.db2.gz NUIAJRCAJDMOJU-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575931574 950812505 /nfs/dbraw/zinc/81/25/05/950812505.db2.gz IREBHXAOFMATNU-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575931574 950812525 /nfs/dbraw/zinc/81/25/25/950812525.db2.gz IREBHXAOFMATNU-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001576219842 950815351 /nfs/dbraw/zinc/81/53/51/950815351.db2.gz VIRZPCCMLZSWEL-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001576219842 950815371 /nfs/dbraw/zinc/81/53/71/950815371.db2.gz VIRZPCCMLZSWEL-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766355 950818424 /nfs/dbraw/zinc/81/84/24/950818424.db2.gz ISSLMQNVVWREHL-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766355 950818442 /nfs/dbraw/zinc/81/84/42/950818442.db2.gz ISSLMQNVVWREHL-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM CC1(C)CC(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)C1 ZINC001575633768 950819917 /nfs/dbraw/zinc/81/99/17/950819917.db2.gz WUTCOLCIVIUJMD-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)C1 ZINC001575633768 950819942 /nfs/dbraw/zinc/81/99/42/950819942.db2.gz WUTCOLCIVIUJMD-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766701 950826072 /nfs/dbraw/zinc/82/60/72/950826072.db2.gz KJZPWTABFZABPF-QMMMGPOBSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)c2C1 ZINC001576220366 950828750 /nfs/dbraw/zinc/82/87/50/950828750.db2.gz XIKUBZGICONNKE-SNVBAGLBSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)c2C1 ZINC001576220366 950828774 /nfs/dbraw/zinc/82/87/74/950828774.db2.gz XIKUBZGICONNKE-SNVBAGLBSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@H](CN(C)C(=O)c1snnc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574766823 950830065 /nfs/dbraw/zinc/83/00/65/950830065.db2.gz LELCQCHOVMMSGV-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CN(C)C(=O)c1snnc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574766823 950830091 /nfs/dbraw/zinc/83/00/91/950830091.db2.gz LELCQCHOVMMSGV-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575932682 950830900 /nfs/dbraw/zinc/83/09/00/950830900.db2.gz LRCYQQHMRJEXRQ-GWCFXTLKSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575932682 950830925 /nfs/dbraw/zinc/83/09/25/950830925.db2.gz LRCYQQHMRJEXRQ-GWCFXTLKSA-N -1 1 383.391 0.835 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001573885868 950839407 /nfs/dbraw/zinc/83/94/07/950839407.db2.gz VZLHBEMYYHTKHQ-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001573885868 950839431 /nfs/dbraw/zinc/83/94/31/950839431.db2.gz VZLHBEMYYHTKHQ-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576220903 950841115 /nfs/dbraw/zinc/84/11/15/950841115.db2.gz XQYJLYMGVPOOTG-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576220903 950841134 /nfs/dbraw/zinc/84/11/34/950841134.db2.gz XQYJLYMGVPOOTG-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575934203 950849284 /nfs/dbraw/zinc/84/92/84/950849284.db2.gz QQHRBWJMKDEDHO-ONGXEEELSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575934203 950849303 /nfs/dbraw/zinc/84/93/03/950849303.db2.gz QQHRBWJMKDEDHO-ONGXEEELSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575934128 950849347 /nfs/dbraw/zinc/84/93/47/950849347.db2.gz QILGVTDLIVVNHC-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575934128 950849372 /nfs/dbraw/zinc/84/93/72/950849372.db2.gz QILGVTDLIVVNHC-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575933856 950850450 /nfs/dbraw/zinc/85/04/50/950850450.db2.gz PYVPKDZRWODQQI-RKDXNWHRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575933856 950850468 /nfs/dbraw/zinc/85/04/68/950850468.db2.gz PYVPKDZRWODQQI-RKDXNWHRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575933849 950851930 /nfs/dbraw/zinc/85/19/30/950851930.db2.gz PYVPKDZRWODQQI-DTWKUNHWSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575933849 950851951 /nfs/dbraw/zinc/85/19/51/950851951.db2.gz PYVPKDZRWODQQI-DTWKUNHWSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ncccn1 ZINC001575934234 950851989 /nfs/dbraw/zinc/85/19/89/950851989.db2.gz QTGBPFKXTHYZMF-VXGBXAGGSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ncccn1 ZINC001575934234 950852008 /nfs/dbraw/zinc/85/20/08/950852008.db2.gz QTGBPFKXTHYZMF-VXGBXAGGSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ncccn1 ZINC001575934230 950853874 /nfs/dbraw/zinc/85/38/74/950853874.db2.gz QTGBPFKXTHYZMF-RYUDHWBXSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ncccn1 ZINC001575934230 950853896 /nfs/dbraw/zinc/85/38/96/950853896.db2.gz QTGBPFKXTHYZMF-RYUDHWBXSA-N -1 1 380.416 0.481 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573887984 950859894 /nfs/dbraw/zinc/85/98/94/950859894.db2.gz MHISRBCJZLNNGB-JTQLQIEISA-N -1 1 383.416 0.691 20 0 GCADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576222138 950865126 /nfs/dbraw/zinc/86/51/26/950865126.db2.gz XIELPHDWARVQCQ-UWVGGRQHSA-N -1 1 378.387 0.773 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767886 950868208 /nfs/dbraw/zinc/86/82/08/950868208.db2.gz VAHQJAYIYMTEFJ-JTQLQIEISA-N -1 1 378.400 0.528 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575935421 950877341 /nfs/dbraw/zinc/87/73/41/950877341.db2.gz WEMLPVBRXXXCLH-CMPLNLGQSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575935421 950877352 /nfs/dbraw/zinc/87/73/52/950877352.db2.gz WEMLPVBRXXXCLH-CMPLNLGQSA-N -1 1 386.395 0.538 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893343 950879314 /nfs/dbraw/zinc/87/93/14/950879314.db2.gz AQBGBXHXQSCMAN-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cn[nH]c2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639997 950887550 /nfs/dbraw/zinc/88/75/50/950887550.db2.gz FORVFEHLFADFFW-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cn[nH]c2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639997 950887563 /nfs/dbraw/zinc/88/75/63/950887563.db2.gz FORVFEHLFADFFW-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM CC(C)(C)n1cnc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001573893569 950890490 /nfs/dbraw/zinc/89/04/90/950890490.db2.gz LIMOLJRVAWJEGX-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC(C)(C)n1cnc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001573893569 950890511 /nfs/dbraw/zinc/89/05/11/950890511.db2.gz LIMOLJRVAWJEGX-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768567 950891591 /nfs/dbraw/zinc/89/15/91/950891591.db2.gz ZGKGFEMLTSJJKR-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768567 950891600 /nfs/dbraw/zinc/89/16/00/950891600.db2.gz ZGKGFEMLTSJJKR-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cnon2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640459 950896545 /nfs/dbraw/zinc/89/65/45/950896545.db2.gz HRFKZQYXOBCTIL-JTQLQIEISA-N -1 1 384.404 0.465 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cnon2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640459 950896559 /nfs/dbraw/zinc/89/65/59/950896559.db2.gz HRFKZQYXOBCTIL-JTQLQIEISA-N -1 1 384.404 0.465 20 0 GCADMM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)c1ncccc1[O-] ZINC001574527666 950900565 /nfs/dbraw/zinc/90/05/65/950900565.db2.gz FPCLPZSCPBBBNB-VHSXEESVSA-N -1 1 384.400 0.622 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575935948 950902482 /nfs/dbraw/zinc/90/24/82/950902482.db2.gz CGVZDUDCDIEHDM-RKDXNWHRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575935948 950902493 /nfs/dbraw/zinc/90/24/93/950902493.db2.gz CGVZDUDCDIEHDM-RKDXNWHRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575935945 950903616 /nfs/dbraw/zinc/90/36/16/950903616.db2.gz CGVZDUDCDIEHDM-BDAKNGLRSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575935945 950903634 /nfs/dbraw/zinc/90/36/34/950903634.db2.gz CGVZDUDCDIEHDM-BDAKNGLRSA-N -1 1 383.372 0.064 20 0 GCADMM CC1(C)C[C@@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCS1 ZINC001575640946 950905937 /nfs/dbraw/zinc/90/59/37/950905937.db2.gz LPLUBCPOGWLQJT-VIFPVBQESA-N -1 1 379.446 0.310 20 0 GCADMM CC(C)(C)n1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)nn1 ZINC001573893896 950910112 /nfs/dbraw/zinc/91/01/12/950910112.db2.gz BBAMOUQIABCBCW-UHFFFAOYSA-N -1 1 387.408 0.025 20 0 GCADMM CC(C)(C)n1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)nn1 ZINC001573893896 950910123 /nfs/dbraw/zinc/91/01/23/950910123.db2.gz BBAMOUQIABCBCW-UHFFFAOYSA-N -1 1 387.408 0.025 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573893967 950913658 /nfs/dbraw/zinc/91/36/58/950913658.db2.gz GIYJIEZHWJUQKY-GFCCVEGCSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573893967 950913675 /nfs/dbraw/zinc/91/36/75/950913675.db2.gz GIYJIEZHWJUQKY-GFCCVEGCSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574190367 950913882 /nfs/dbraw/zinc/91/38/82/950913882.db2.gz XIOSWMMCMRLHLS-SFHVURJKSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574190367 950913905 /nfs/dbraw/zinc/91/39/05/950913905.db2.gz XIOSWMMCMRLHLS-SFHVURJKSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(=O)[nH]c1=O ZINC001573893987 950915211 /nfs/dbraw/zinc/91/52/11/950915211.db2.gz HSNBWXSOHDHMEB-UHFFFAOYSA-N -1 1 375.414 0.876 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(=O)[nH]c1=O ZINC001573893987 950915228 /nfs/dbraw/zinc/91/52/28/950915228.db2.gz HSNBWXSOHDHMEB-UHFFFAOYSA-N -1 1 375.414 0.876 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227549 950916545 /nfs/dbraw/zinc/91/65/45/950916545.db2.gz DSVSEJHXZOLCFK-VXGBXAGGSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227549 950916558 /nfs/dbraw/zinc/91/65/58/950916558.db2.gz DSVSEJHXZOLCFK-VXGBXAGGSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]n1 ZINC001575936520 950917026 /nfs/dbraw/zinc/91/70/26/950917026.db2.gz GBZDGHHTDMQEDR-WDSKDSINSA-N -1 1 380.825 0.810 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573893993 950917040 /nfs/dbraw/zinc/91/70/40/950917040.db2.gz HYGPPVPVUNDILB-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893993 950917056 /nfs/dbraw/zinc/91/70/56/950917056.db2.gz HYGPPVPVUNDILB-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573894055 950918550 /nfs/dbraw/zinc/91/85/50/950918550.db2.gz KLAZIDURJXNXEJ-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573894055 950918566 /nfs/dbraw/zinc/91/85/66/950918566.db2.gz KLAZIDURJXNXEJ-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccnn1C ZINC001575936692 950922200 /nfs/dbraw/zinc/92/22/00/950922200.db2.gz HRIGFHJRDVPQHP-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccnn1C ZINC001575936692 950922209 /nfs/dbraw/zinc/92/22/09/950922209.db2.gz HRIGFHJRDVPQHP-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575936664 950922415 /nfs/dbraw/zinc/92/24/15/950922415.db2.gz HKAUOKWLAYKZKI-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575936664 950922430 /nfs/dbraw/zinc/92/24/30/950922430.db2.gz HKAUOKWLAYKZKI-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001573894162 950924391 /nfs/dbraw/zinc/92/43/91/950924391.db2.gz OGZZJTDEBGCNLS-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001573894162 950924408 /nfs/dbraw/zinc/92/44/08/950924408.db2.gz OGZZJTDEBGCNLS-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573894412 950927469 /nfs/dbraw/zinc/92/74/69/950927469.db2.gz RPFTYGBZXYBKKZ-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573894412 950927488 /nfs/dbraw/zinc/92/74/88/950927488.db2.gz RPFTYGBZXYBKKZ-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC001575936796 950928105 /nfs/dbraw/zinc/92/81/05/950928105.db2.gz IKUMEDCXABIIGR-VXGBXAGGSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC001575936796 950928116 /nfs/dbraw/zinc/92/81/16/950928116.db2.gz IKUMEDCXABIIGR-VXGBXAGGSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575937272 950939748 /nfs/dbraw/zinc/93/97/48/950939748.db2.gz JUPIBFBWPVAKHA-GHMZBOCLSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575937272 950939759 /nfs/dbraw/zinc/93/97/59/950939759.db2.gz JUPIBFBWPVAKHA-GHMZBOCLSA-N -1 1 380.416 0.515 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)CC(F)F ZINC001573896146 950947913 /nfs/dbraw/zinc/94/79/13/950947913.db2.gz GJCOFWGVSZBMJO-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)CC(F)F ZINC001573896146 950947933 /nfs/dbraw/zinc/94/79/33/950947933.db2.gz GJCOFWGVSZBMJO-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001575642922 950950062 /nfs/dbraw/zinc/95/00/62/950950062.db2.gz JKGZJVWEMYESGH-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1CC1 ZINC001573897257 950957143 /nfs/dbraw/zinc/95/71/43/950957143.db2.gz NUEKMQBLVPVHOG-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1CC1 ZINC001573897257 950957153 /nfs/dbraw/zinc/95/71/53/950957153.db2.gz NUEKMQBLVPVHOG-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897388 950962157 /nfs/dbraw/zinc/96/21/57/950962157.db2.gz PAIZWFFUCSJGOG-CYBMUJFWSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575016851 950965426 /nfs/dbraw/zinc/96/54/26/950965426.db2.gz AYKBSBPUGQSKNW-GFCCVEGCSA-N -1 1 390.411 0.495 20 0 GCADMM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)c1ncccc1[O-] ZINC001574529995 950966583 /nfs/dbraw/zinc/96/65/83/950966583.db2.gz SEBZEMAIFDMVJH-VHSXEESVSA-N -1 1 384.400 0.622 20 0 GCADMM C[C@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001575938018 950966886 /nfs/dbraw/zinc/96/68/86/950966886.db2.gz IIFDIMCPVYMSKI-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)CC(F)F ZINC001573897794 950967283 /nfs/dbraw/zinc/96/72/83/950967283.db2.gz SPKJMQRWOMOXHG-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)CC(F)F ZINC001573897794 950967298 /nfs/dbraw/zinc/96/72/98/950967298.db2.gz SPKJMQRWOMOXHG-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576229498 950967548 /nfs/dbraw/zinc/96/75/48/950967548.db2.gz JTVYKBHHUDZUCL-ZYHUDNBSSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576229498 950967564 /nfs/dbraw/zinc/96/75/64/950967564.db2.gz JTVYKBHHUDZUCL-ZYHUDNBSSA-N -1 1 376.396 0.434 20 0 GCADMM CC(C)(CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573898158 950974026 /nfs/dbraw/zinc/97/40/26/950974026.db2.gz YJMWJKIOWGQBHB-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573898325 950974832 /nfs/dbraw/zinc/97/48/32/950974832.db2.gz ZDEPZNRYWZHVKI-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573898325 950974842 /nfs/dbraw/zinc/97/48/42/950974842.db2.gz ZDEPZNRYWZHVKI-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001575643882 950979770 /nfs/dbraw/zinc/97/97/70/950979770.db2.gz PXBWODPMIWCOGN-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001575643882 950979780 /nfs/dbraw/zinc/97/97/80/950979780.db2.gz PXBWODPMIWCOGN-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576230016 950982466 /nfs/dbraw/zinc/98/24/66/950982466.db2.gz KYKUYOOPZKDHCH-ZYHUDNBSSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576230016 950982481 /nfs/dbraw/zinc/98/24/81/950982481.db2.gz KYKUYOOPZKDHCH-ZYHUDNBSSA-N -1 1 376.396 0.434 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573899764 950989199 /nfs/dbraw/zinc/98/91/99/950989199.db2.gz JLTPTDBJVMLEER-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573899764 950989217 /nfs/dbraw/zinc/98/92/17/950989217.db2.gz JLTPTDBJVMLEER-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CC1 ZINC001573900033 950994663 /nfs/dbraw/zinc/99/46/63/950994663.db2.gz PZMOXTPAPZKNJW-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CC1 ZINC001573900033 950994679 /nfs/dbraw/zinc/99/46/79/950994679.db2.gz PZMOXTPAPZKNJW-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575939021 951002440 /nfs/dbraw/zinc/00/24/40/951002440.db2.gz POBJOVDMFMKAGV-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575939021 951002451 /nfs/dbraw/zinc/00/24/51/951002451.db2.gz POBJOVDMFMKAGV-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573900383 951003030 /nfs/dbraw/zinc/00/30/30/951003030.db2.gz ZBVVDFWEVUTRMI-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573900383 951003051 /nfs/dbraw/zinc/00/30/51/951003051.db2.gz ZBVVDFWEVUTRMI-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576230454 951007633 /nfs/dbraw/zinc/00/76/33/951007633.db2.gz RMPQHSRCFBKEBY-SGTLLEGYSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576230454 951007647 /nfs/dbraw/zinc/00/76/47/951007647.db2.gz RMPQHSRCFBKEBY-SGTLLEGYSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575018675 951025178 /nfs/dbraw/zinc/02/51/78/951025178.db2.gz OJEXKNAVCWHMTC-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575018675 951025192 /nfs/dbraw/zinc/02/51/92/951025192.db2.gz OJEXKNAVCWHMTC-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575020066 951052281 /nfs/dbraw/zinc/05/22/81/951052281.db2.gz XDEOXXXDWLVJQZ-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575020066 951052299 /nfs/dbraw/zinc/05/22/99/951052299.db2.gz XDEOXXXDWLVJQZ-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024416 951102214 /nfs/dbraw/zinc/10/22/14/951102214.db2.gz DEIUTLHJJVJVMW-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1nccnc1-c1nnn[n-]1 ZINC001575024512 951107524 /nfs/dbraw/zinc/10/75/24/951107524.db2.gz FZYSAANMUYJRAS-NSHDSACASA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1nccnc1-c1nn[n-]n1 ZINC001575024512 951107530 /nfs/dbraw/zinc/10/75/30/951107530.db2.gz FZYSAANMUYJRAS-NSHDSACASA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024560 951107656 /nfs/dbraw/zinc/10/76/56/951107656.db2.gz HLUHSHPYGJDICV-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024560 951107662 /nfs/dbraw/zinc/10/76/62/951107662.db2.gz HLUHSHPYGJDICV-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024551 951107978 /nfs/dbraw/zinc/10/79/78/951107978.db2.gz HEUCGXWLEWIQSP-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024551 951107986 /nfs/dbraw/zinc/10/79/86/951107986.db2.gz HEUCGXWLEWIQSP-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024706 951111478 /nfs/dbraw/zinc/11/14/78/951111478.db2.gz KZQFEZJJKVZKIW-NSHDSACASA-N -1 1 380.412 0.942 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024706 951111486 /nfs/dbraw/zinc/11/14/86/951111486.db2.gz KZQFEZJJKVZKIW-NSHDSACASA-N -1 1 380.412 0.942 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024971 951120223 /nfs/dbraw/zinc/12/02/23/951120223.db2.gz QWQDKEXYERHIGG-LLVKDONJSA-N -1 1 380.412 0.942 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024971 951120233 /nfs/dbraw/zinc/12/02/33/951120233.db2.gz QWQDKEXYERHIGG-LLVKDONJSA-N -1 1 380.412 0.942 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024918 951120837 /nfs/dbraw/zinc/12/08/37/951120837.db2.gz PSYFFMUNPNVFTP-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024918 951120845 /nfs/dbraw/zinc/12/08/45/951120845.db2.gz PSYFFMUNPNVFTP-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575025327 951130459 /nfs/dbraw/zinc/13/04/59/951130459.db2.gz YAYODFOVGGPGLG-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575025327 951130463 /nfs/dbraw/zinc/13/04/63/951130463.db2.gz YAYODFOVGGPGLG-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2cnccc2n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026265 951140195 /nfs/dbraw/zinc/14/01/95/951140195.db2.gz HZVHYYGIXHOELB-NSHDSACASA-N -1 1 390.411 0.855 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2cnccc2n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026265 951140203 /nfs/dbraw/zinc/14/02/03/951140203.db2.gz HZVHYYGIXHOELB-NSHDSACASA-N -1 1 390.411 0.855 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575028147 951170511 /nfs/dbraw/zinc/17/05/11/951170511.db2.gz LJZQUSUJDDZYHD-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575028147 951170518 /nfs/dbraw/zinc/17/05/18/951170518.db2.gz LJZQUSUJDDZYHD-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028183 951170636 /nfs/dbraw/zinc/17/06/36/951170636.db2.gz LXQSZIYLJKPIIR-WDEREUQCSA-N -1 1 380.412 0.632 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575028548 951174736 /nfs/dbraw/zinc/17/47/36/951174736.db2.gz OCNWFCALJLXNNF-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575028548 951174742 /nfs/dbraw/zinc/17/47/42/951174742.db2.gz OCNWFCALJLXNNF-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028651 951177135 /nfs/dbraw/zinc/17/71/35/951177135.db2.gz PGVRMAHIMHZMDI-LLVKDONJSA-N -1 1 380.412 0.382 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575028896 951177366 /nfs/dbraw/zinc/17/73/66/951177366.db2.gz PGYJFFNHGKXWRO-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575028896 951177372 /nfs/dbraw/zinc/17/73/72/951177372.db2.gz PGYJFFNHGKXWRO-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2oc(=O)[nH]c21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575028590 951177640 /nfs/dbraw/zinc/17/76/40/951177640.db2.gz ONJNJJRGXIYAEO-QMMMGPOBSA-N -1 1 381.356 0.734 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2oc(=O)[nH]c21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575028590 951177641 /nfs/dbraw/zinc/17/76/41/951177641.db2.gz ONJNJJRGXIYAEO-QMMMGPOBSA-N -1 1 381.356 0.734 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028563 951177850 /nfs/dbraw/zinc/17/78/50/951177850.db2.gz OGIGMOWXQCRFSM-LLVKDONJSA-N -1 1 380.412 0.382 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575029000 951180308 /nfs/dbraw/zinc/18/03/08/951180308.db2.gz YEJJGJYJTHJVJC-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575029000 951180315 /nfs/dbraw/zinc/18/03/15/951180315.db2.gz YEJJGJYJTHJVJC-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034422 951247765 /nfs/dbraw/zinc/24/77/65/951247765.db2.gz BIFIXTPKADBQSL-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034422 951247776 /nfs/dbraw/zinc/24/77/76/951247776.db2.gz BIFIXTPKADBQSL-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575035196 951269608 /nfs/dbraw/zinc/26/96/08/951269608.db2.gz HGVWIXZYORWDGI-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575035196 951269621 /nfs/dbraw/zinc/26/96/21/951269621.db2.gz HGVWIXZYORWDGI-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575035453 951272997 /nfs/dbraw/zinc/27/29/97/951272997.db2.gz IOIAYYUNFRQOJY-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575035453 951273004 /nfs/dbraw/zinc/27/30/04/951273004.db2.gz IOIAYYUNFRQOJY-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575035483 951275577 /nfs/dbraw/zinc/27/55/77/951275577.db2.gz IVTZUGQGYOUIFN-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575035483 951275589 /nfs/dbraw/zinc/27/55/89/951275589.db2.gz IVTZUGQGYOUIFN-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575036838 951300838 /nfs/dbraw/zinc/30/08/38/951300838.db2.gz XMOWGNZJVMGUIM-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575036838 951300847 /nfs/dbraw/zinc/30/08/47/951300847.db2.gz XMOWGNZJVMGUIM-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575036952 951303692 /nfs/dbraw/zinc/30/36/92/951303692.db2.gz ZCWHPJKMMNUIND-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575036952 951303702 /nfs/dbraw/zinc/30/37/02/951303702.db2.gz ZCWHPJKMMNUIND-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575038855 951324919 /nfs/dbraw/zinc/32/49/19/951324919.db2.gz MIMPZVOGKRJOIV-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575038855 951324932 /nfs/dbraw/zinc/32/49/32/951324932.db2.gz MIMPZVOGKRJOIV-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575041952 951353158 /nfs/dbraw/zinc/35/31/58/951353158.db2.gz DTMCKDKZPNEZOU-NSHDSACASA-N -1 1 384.448 0.414 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575041921 951353194 /nfs/dbraw/zinc/35/31/94/951353194.db2.gz CPZNLZGIXHQMBE-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575041921 951353205 /nfs/dbraw/zinc/35/32/05/951353205.db2.gz CPZNLZGIXHQMBE-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043411 951388520 /nfs/dbraw/zinc/38/85/20/951388520.db2.gz INMSBCGSLHAISI-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043492 951391965 /nfs/dbraw/zinc/39/19/65/951391965.db2.gz SAAZDJQDFQDXEV-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043492 951391974 /nfs/dbraw/zinc/39/19/74/951391974.db2.gz SAAZDJQDFQDXEV-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2[nH]ccc2c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575043713 951402212 /nfs/dbraw/zinc/40/22/12/951402212.db2.gz MKAUSBWFKXVGSO-SNVBAGLBSA-N -1 1 378.400 0.963 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2[nH]ccc2c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575043713 951402223 /nfs/dbraw/zinc/40/22/23/951402223.db2.gz MKAUSBWFKXVGSO-SNVBAGLBSA-N -1 1 378.400 0.963 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575043718 951403639 /nfs/dbraw/zinc/40/36/39/951403639.db2.gz MMLHGSOCRPUDAY-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575043718 951403652 /nfs/dbraw/zinc/40/36/52/951403652.db2.gz MMLHGSOCRPUDAY-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044204 951409469 /nfs/dbraw/zinc/40/94/69/951409469.db2.gz PTMOBSREIGRLKH-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044204 951409478 /nfs/dbraw/zinc/40/94/78/951409478.db2.gz PTMOBSREIGRLKH-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575044333 951414204 /nfs/dbraw/zinc/41/42/04/951414204.db2.gz YWPYZNKRDAIGEX-JTQLQIEISA-N -1 1 384.448 0.340 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575045407 951427687 /nfs/dbraw/zinc/42/76/87/951427687.db2.gz BUADVCGZHJNJST-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575045407 951427695 /nfs/dbraw/zinc/42/76/95/951427695.db2.gz BUADVCGZHJNJST-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2nccn2c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575045610 951431193 /nfs/dbraw/zinc/43/11/93/951431193.db2.gz FGZGCGYYLIEMBJ-SNVBAGLBSA-N -1 1 379.388 0.177 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2nccn2c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575045610 951431201 /nfs/dbraw/zinc/43/12/01/951431201.db2.gz FGZGCGYYLIEMBJ-SNVBAGLBSA-N -1 1 379.388 0.177 20 0 GCADMM CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001575045778 951432607 /nfs/dbraw/zinc/43/26/07/951432607.db2.gz HPNONVAPDQTZOC-LLVKDONJSA-N -1 1 383.416 0.491 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575046311 951440644 /nfs/dbraw/zinc/44/06/44/951440644.db2.gz MTVDZYLYJDEVFE-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575046311 951440651 /nfs/dbraw/zinc/44/06/51/951440651.db2.gz MTVDZYLYJDEVFE-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575046701 951444840 /nfs/dbraw/zinc/44/48/40/951444840.db2.gz RELXLQYGKFARSP-LLVKDONJSA-N -1 1 382.432 0.089 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575046702 951445865 /nfs/dbraw/zinc/44/58/65/951445865.db2.gz RELXLQYGKFARSP-NSHDSACASA-N -1 1 382.432 0.089 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575046860 951450721 /nfs/dbraw/zinc/45/07/21/951450721.db2.gz UUYUBXYRDCFIOZ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575046860 951450731 /nfs/dbraw/zinc/45/07/31/951450731.db2.gz UUYUBXYRDCFIOZ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575047145 951451813 /nfs/dbraw/zinc/45/18/13/951451813.db2.gz XWBIAJOBGLRLOB-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575047145 951451821 /nfs/dbraw/zinc/45/18/21/951451821.db2.gz XWBIAJOBGLRLOB-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575047035 951452464 /nfs/dbraw/zinc/45/24/64/951452464.db2.gz XPMFQJYFNNPQNI-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575047035 951452473 /nfs/dbraw/zinc/45/24/73/951452473.db2.gz XPMFQJYFNNPQNI-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575051953 951456561 /nfs/dbraw/zinc/45/65/61/951456561.db2.gz BSZKTXVXQVZPLT-YFKPBYRVSA-N -1 1 382.841 0.523 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575051953 951456572 /nfs/dbraw/zinc/45/65/72/951456572.db2.gz BSZKTXVXQVZPLT-YFKPBYRVSA-N -1 1 382.841 0.523 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575051955 951457634 /nfs/dbraw/zinc/45/76/34/951457634.db2.gz BTDAPLFGMAPBIY-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575051955 951457638 /nfs/dbraw/zinc/45/76/38/951457638.db2.gz BTDAPLFGMAPBIY-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575052111 951459848 /nfs/dbraw/zinc/45/98/48/951459848.db2.gz DEZPMOOAQHPYAM-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575052111 951459856 /nfs/dbraw/zinc/45/98/56/951459856.db2.gz DEZPMOOAQHPYAM-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575052190 951459937 /nfs/dbraw/zinc/45/99/37/951459937.db2.gz FTAOCJJOWOETOI-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575052190 951459943 /nfs/dbraw/zinc/45/99/43/951459943.db2.gz FTAOCJJOWOETOI-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575052589 951469462 /nfs/dbraw/zinc/46/94/62/951469462.db2.gz MNZJXNYJLHOIEG-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575052589 951469472 /nfs/dbraw/zinc/46/94/72/951469472.db2.gz MNZJXNYJLHOIEG-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575052900 951473295 /nfs/dbraw/zinc/47/32/95/951473295.db2.gz QAVVMMVRCLMFBP-NSHDSACASA-N -1 1 382.432 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575052900 951473302 /nfs/dbraw/zinc/47/33/02/951473302.db2.gz QAVVMMVRCLMFBP-NSHDSACASA-N -1 1 382.432 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575053369 951479678 /nfs/dbraw/zinc/47/96/78/951479678.db2.gz BNBWUSRGJJCAJY-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575053369 951479694 /nfs/dbraw/zinc/47/96/94/951479694.db2.gz BNBWUSRGJJCAJY-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575053697 951480732 /nfs/dbraw/zinc/48/07/32/951480732.db2.gz UOXNLDXADVKFCA-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575053650 951480976 /nfs/dbraw/zinc/48/09/76/951480976.db2.gz SSPAAYCBQCBESI-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575054120 951487549 /nfs/dbraw/zinc/48/75/49/951487549.db2.gz VTXGJJNRFWQKTD-QMMMGPOBSA-N -1 1 392.374 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575059370 951541526 /nfs/dbraw/zinc/54/15/26/951541526.db2.gz ZXBWEMXMIADNFV-LURJTMIESA-N -1 1 383.294 0.316 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575060905 951552354 /nfs/dbraw/zinc/55/23/54/951552354.db2.gz JIHQZCZDMHJXEN-SNVBAGLBSA-N -1 1 382.432 0.513 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575060904 951552433 /nfs/dbraw/zinc/55/24/33/951552433.db2.gz JIHQZCZDMHJXEN-JTQLQIEISA-N -1 1 382.432 0.513 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575061181 951554391 /nfs/dbraw/zinc/55/43/91/951554391.db2.gz KXUIMVCVLZDSBC-SNVBAGLBSA-N -1 1 382.432 0.737 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575061181 951554399 /nfs/dbraw/zinc/55/43/99/951554399.db2.gz KXUIMVCVLZDSBC-SNVBAGLBSA-N -1 1 382.432 0.737 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575062083 951566592 /nfs/dbraw/zinc/56/65/92/951566592.db2.gz SSRMLHADYIEYRA-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575062083 951566596 /nfs/dbraw/zinc/56/65/96/951566596.db2.gz SSRMLHADYIEYRA-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575062856 951574157 /nfs/dbraw/zinc/57/41/57/951574157.db2.gz ZRAQOVFVBGJYSO-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575062856 951574168 /nfs/dbraw/zinc/57/41/68/951574168.db2.gz ZRAQOVFVBGJYSO-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575064629 951576668 /nfs/dbraw/zinc/57/66/68/951576668.db2.gz BONRDSTYTVPYKB-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575064629 951576678 /nfs/dbraw/zinc/57/66/78/951576678.db2.gz BONRDSTYTVPYKB-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575065229 951581180 /nfs/dbraw/zinc/58/11/80/951581180.db2.gz ABMCRHPDIVDCPE-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575065229 951581188 /nfs/dbraw/zinc/58/11/88/951581188.db2.gz ABMCRHPDIVDCPE-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575065991 951592614 /nfs/dbraw/zinc/59/26/14/951592614.db2.gz JMNCYKSVKDYGAJ-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575065991 951592623 /nfs/dbraw/zinc/59/26/23/951592623.db2.gz JMNCYKSVKDYGAJ-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575067338 951609735 /nfs/dbraw/zinc/60/97/35/951609735.db2.gz RJLBYDYLFUPGIQ-VIFPVBQESA-N -1 1 385.388 0.195 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575067338 951609741 /nfs/dbraw/zinc/60/97/41/951609741.db2.gz RJLBYDYLFUPGIQ-VIFPVBQESA-N -1 1 385.388 0.195 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575067421 951611391 /nfs/dbraw/zinc/61/13/91/951611391.db2.gz LQIUTETYXQGCIM-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575067421 951611401 /nfs/dbraw/zinc/61/14/01/951611401.db2.gz LQIUTETYXQGCIM-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575067496 951613561 /nfs/dbraw/zinc/61/35/61/951613561.db2.gz UFIJNCCFTYKRKF-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575067496 951613565 /nfs/dbraw/zinc/61/35/65/951613565.db2.gz UFIJNCCFTYKRKF-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575067726 951620906 /nfs/dbraw/zinc/62/09/06/951620906.db2.gz XAUAMMUZGDHNIO-LURJTMIESA-N -1 1 383.294 0.316 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575067994 951626944 /nfs/dbraw/zinc/62/69/44/951626944.db2.gz USLMPDCCHJPTGY-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575067994 951626956 /nfs/dbraw/zinc/62/69/56/951626956.db2.gz USLMPDCCHJPTGY-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1scc2c1OCCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575069498 951643507 /nfs/dbraw/zinc/64/35/07/951643507.db2.gz JOEBDTIUHDTQAG-MRVPVSSYSA-N -1 1 388.413 0.142 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575069922 951648187 /nfs/dbraw/zinc/64/81/87/951648187.db2.gz NQPNYNQYUPOELC-QMMMGPOBSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575069922 951648191 /nfs/dbraw/zinc/64/81/91/951648191.db2.gz NQPNYNQYUPOELC-QMMMGPOBSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@@H](CNC(=O)c1scc2c1OCCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575070890 951654238 /nfs/dbraw/zinc/65/42/38/951654238.db2.gz VFPNUFFKJQTDDE-QMMMGPOBSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@@H](CNC(=O)c1scc2c1OCCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575070890 951654243 /nfs/dbraw/zinc/65/42/43/951654243.db2.gz VFPNUFFKJQTDDE-QMMMGPOBSA-N -1 1 388.413 0.720 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)C1=O ZINC001595090812 951771677 /nfs/dbraw/zinc/77/16/77/951771677.db2.gz KGKLPNYVXOVWKT-UKRRQHHQSA-N -1 1 386.412 0.659 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CCC[C@H](N3CCOCC3)CC2)C1=O ZINC001595091744 951782142 /nfs/dbraw/zinc/78/21/42/951782142.db2.gz UMNPOEWIBDOYRK-JKSUJKDBSA-N -1 1 396.488 0.348 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575129615 952083601 /nfs/dbraw/zinc/08/36/01/952083601.db2.gz XLXODFNZCIITSY-LPSAFJIBSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575129615 952083612 /nfs/dbraw/zinc/08/36/12/952083612.db2.gz XLXODFNZCIITSY-LPSAFJIBSA-N -1 1 386.460 0.905 20 0 GCADMM O=C([O-])Cn1cc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)nn1 ZINC001595141718 952085279 /nfs/dbraw/zinc/08/52/79/952085279.db2.gz DKRXHZMSZGCVTI-DLBZAZTESA-N -1 1 385.424 0.478 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575129667 952087017 /nfs/dbraw/zinc/08/70/17/952087017.db2.gz YIASLHJJLJWDKO-BTDLBPIBSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575129667 952087020 /nfs/dbraw/zinc/08/70/20/952087020.db2.gz YIASLHJJLJWDKO-BTDLBPIBSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575131740 952088735 /nfs/dbraw/zinc/08/87/35/952088735.db2.gz AWNIMPFRLQRDSX-ZETCQYMHSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575131842 952089700 /nfs/dbraw/zinc/08/97/00/952089700.db2.gz BXKNGIURZJWNIJ-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCn1ccccc1=O ZINC001575132096 952091794 /nfs/dbraw/zinc/09/17/94/952091794.db2.gz CCLBIYLRWQDEJB-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCn1ccccc1=O ZINC001575132096 952091796 /nfs/dbraw/zinc/09/17/96/952091796.db2.gz CCLBIYLRWQDEJB-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NCCN2CC=CCC2)C1 ZINC001602891623 971801955 /nfs/dbraw/zinc/80/19/55/971801955.db2.gz BAGPJGSGIKUJRN-GOSISDBHSA-N -1 1 383.445 0.455 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575132560 952095797 /nfs/dbraw/zinc/09/57/97/952095797.db2.gz GGFAXMMLSPQOKF-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575132560 952095804 /nfs/dbraw/zinc/09/58/04/952095804.db2.gz GGFAXMMLSPQOKF-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575133387 952104463 /nfs/dbraw/zinc/10/44/63/952104463.db2.gz KJVVKIZKVBLVLN-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575133350 952104503 /nfs/dbraw/zinc/10/45/03/952104503.db2.gz FFZKGSFDWYDQJV-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575133350 952104506 /nfs/dbraw/zinc/10/45/06/952104506.db2.gz FFZKGSFDWYDQJV-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575133568 952104989 /nfs/dbraw/zinc/10/49/89/952104989.db2.gz LGHAUYIPCHLLAR-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575133568 952104994 /nfs/dbraw/zinc/10/49/94/952104994.db2.gz LGHAUYIPCHLLAR-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575133567 952105185 /nfs/dbraw/zinc/10/51/85/952105185.db2.gz LGHAUYIPCHLLAR-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575133567 952105193 /nfs/dbraw/zinc/10/51/93/952105193.db2.gz LGHAUYIPCHLLAR-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1ccncc1 ZINC001575134655 952112412 /nfs/dbraw/zinc/11/24/12/952112412.db2.gz NZHALZKZZILAIC-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1ccncc1 ZINC001575134655 952112418 /nfs/dbraw/zinc/11/24/18/952112418.db2.gz NZHALZKZZILAIC-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575135621 952119662 /nfs/dbraw/zinc/11/96/62/952119662.db2.gz MGNKFWJHLZNROR-ZUZCIYMTSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575135765 952121220 /nfs/dbraw/zinc/12/12/20/952121220.db2.gz NNSNONOAZLDCAC-HNNXBMFYSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@](CNc1ccc(-c2nn[nH]n2)nn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575136742 952127315 /nfs/dbraw/zinc/12/73/15/952127315.db2.gz WCZOAFXHBMLASF-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575137049 952132761 /nfs/dbraw/zinc/13/27/61/952132761.db2.gz SLPPKQJSYZFHLS-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575137049 952132767 /nfs/dbraw/zinc/13/27/67/952132767.db2.gz SLPPKQJSYZFHLS-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)Nc2cccc3[nH]nnc32)C1 ZINC001602892907 971806002 /nfs/dbraw/zinc/80/60/02/971806002.db2.gz KQFCFTHGOHCVDE-KRWDZBQOSA-N -1 1 391.384 0.987 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575140613 952142485 /nfs/dbraw/zinc/14/24/85/952142485.db2.gz DZGUSGMRYKLGTG-SECBINFHSA-N -1 1 392.374 0.172 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575141559 952145387 /nfs/dbraw/zinc/14/53/87/952145387.db2.gz IEGAOIYGXAMSGC-KRWDZBQOSA-N -1 1 383.391 0.623 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575142779 952148320 /nfs/dbraw/zinc/14/83/20/952148320.db2.gz LQAQKMKOJNOGAZ-HNNXBMFYSA-N -1 1 389.807 0.731 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575143599 952154274 /nfs/dbraw/zinc/15/42/74/952154274.db2.gz BLKXRDURPJAQNH-SSDOTTSWSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575143946 952159341 /nfs/dbraw/zinc/15/93/41/952159341.db2.gz DYDUWVIBPKGGGI-SECBINFHSA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575144162 952162662 /nfs/dbraw/zinc/16/26/62/952162662.db2.gz UOEODXOIQWQWDI-DGCLKSJQSA-N -1 1 379.428 0.462 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575144394 952166173 /nfs/dbraw/zinc/16/61/73/952166173.db2.gz IESIRUOODIWMFK-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575144583 952168144 /nfs/dbraw/zinc/16/81/44/952168144.db2.gz JDDRIZUFRNGGJO-LLVKDONJSA-N -1 1 380.412 0.586 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575144937 952175957 /nfs/dbraw/zinc/17/59/57/952175957.db2.gz NSZYTXBUBNQWBB-JTQLQIEISA-N -1 1 380.416 0.319 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575145226 952180160 /nfs/dbraw/zinc/18/01/60/952180160.db2.gz STWKUBBIMWGARE-SNVBAGLBSA-N -1 1 385.432 0.937 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575145476 952184286 /nfs/dbraw/zinc/18/42/86/952184286.db2.gz YHHRKECLRMTUAP-QMMMGPOBSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575146205 952191851 /nfs/dbraw/zinc/19/18/51/952191851.db2.gz HYDYAFUUNGPNSB-JKSUJKDBSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575146205 952191855 /nfs/dbraw/zinc/19/18/55/952191855.db2.gz HYDYAFUUNGPNSB-JKSUJKDBSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575153942 952215106 /nfs/dbraw/zinc/21/51/06/952215106.db2.gz MLWQIQCBZMSHAH-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575154110 952216137 /nfs/dbraw/zinc/21/61/37/952216137.db2.gz NXEFPYNCEYKKIY-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575154110 952216146 /nfs/dbraw/zinc/21/61/46/952216146.db2.gz NXEFPYNCEYKKIY-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575154424 952223263 /nfs/dbraw/zinc/22/32/63/952223263.db2.gz CNKSEUMRZRIFAN-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575154424 952223270 /nfs/dbraw/zinc/22/32/70/952223270.db2.gz CNKSEUMRZRIFAN-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575154433 952223634 /nfs/dbraw/zinc/22/36/34/952223634.db2.gz DDBFXFKEAKWYLE-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575154433 952223639 /nfs/dbraw/zinc/22/36/39/952223639.db2.gz DDBFXFKEAKWYLE-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1snnc1C1CC1 ZINC001575154645 952227719 /nfs/dbraw/zinc/22/77/19/952227719.db2.gz GUMOHAISEMNIQZ-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1snnc1C1CC1 ZINC001575154645 952227727 /nfs/dbraw/zinc/22/77/27/952227727.db2.gz GUMOHAISEMNIQZ-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575155009 952232711 /nfs/dbraw/zinc/23/27/11/952232711.db2.gz WAQMIHJKBARHMP-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575155009 952232715 /nfs/dbraw/zinc/23/27/15/952232715.db2.gz WAQMIHJKBARHMP-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575155096 952235148 /nfs/dbraw/zinc/23/51/48/952235148.db2.gz KJIREZJZYLKGQH-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575155096 952235154 /nfs/dbraw/zinc/23/51/54/952235154.db2.gz KJIREZJZYLKGQH-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575155379 952237970 /nfs/dbraw/zinc/23/79/70/952237970.db2.gz LUSPMHDIPCYWOT-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575155379 952237975 /nfs/dbraw/zinc/23/79/75/952237975.db2.gz LUSPMHDIPCYWOT-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575155360 952238017 /nfs/dbraw/zinc/23/80/17/952238017.db2.gz LNAQCMICWPWPMT-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575155360 952238021 /nfs/dbraw/zinc/23/80/21/952238021.db2.gz LNAQCMICWPWPMT-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575155486 952239605 /nfs/dbraw/zinc/23/96/05/952239605.db2.gz ZKQWGEJRGFKVGO-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575155486 952239611 /nfs/dbraw/zinc/23/96/11/952239611.db2.gz ZKQWGEJRGFKVGO-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575155608 952241378 /nfs/dbraw/zinc/24/13/78/952241378.db2.gz OFQPOCDPYUAPPG-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575155608 952241387 /nfs/dbraw/zinc/24/13/87/952241387.db2.gz OFQPOCDPYUAPPG-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575155589 952241449 /nfs/dbraw/zinc/24/14/49/952241449.db2.gz OCMBVOZTCHYMLH-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575155589 952241459 /nfs/dbraw/zinc/24/14/59/952241459.db2.gz OCMBVOZTCHYMLH-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575155610 952242443 /nfs/dbraw/zinc/24/24/43/952242443.db2.gz OFQPOCDPYUAPPG-GTNSWQLSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575155610 952242449 /nfs/dbraw/zinc/24/24/49/952242449.db2.gz OFQPOCDPYUAPPG-GTNSWQLSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575155871 952245427 /nfs/dbraw/zinc/24/54/27/952245427.db2.gz AOVGLIXTOPTBHS-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575155871 952245440 /nfs/dbraw/zinc/24/54/40/952245440.db2.gz AOVGLIXTOPTBHS-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COCc1cccnc1 ZINC001575156611 952254555 /nfs/dbraw/zinc/25/45/55/952254555.db2.gz GQNBLSLOWPFBCL-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1cccnc1 ZINC001575156611 952254562 /nfs/dbraw/zinc/25/45/62/952254562.db2.gz GQNBLSLOWPFBCL-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575158037 952269805 /nfs/dbraw/zinc/26/98/05/952269805.db2.gz RGRSPNCJNVZOQQ-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575158037 952269810 /nfs/dbraw/zinc/26/98/10/952269810.db2.gz RGRSPNCJNVZOQQ-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575159286 952277145 /nfs/dbraw/zinc/27/71/45/952277145.db2.gz ZPTGUEQUPQGPGV-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575159286 952277150 /nfs/dbraw/zinc/27/71/50/952277150.db2.gz ZPTGUEQUPQGPGV-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575164849 952301529 /nfs/dbraw/zinc/30/15/29/952301529.db2.gz IFSGTEBKMMQUPA-NTSWFWBYSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575164849 952301537 /nfs/dbraw/zinc/30/15/37/952301537.db2.gz IFSGTEBKMMQUPA-NTSWFWBYSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575173798 952355982 /nfs/dbraw/zinc/35/59/82/952355982.db2.gz AILVJCDNCXEZJV-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575173798 952355987 /nfs/dbraw/zinc/35/59/87/952355987.db2.gz AILVJCDNCXEZJV-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575173850 952357771 /nfs/dbraw/zinc/35/77/71/952357771.db2.gz BHDXVLOAZLOETA-SJKOYZFVSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575173850 952357779 /nfs/dbraw/zinc/35/77/79/952357779.db2.gz BHDXVLOAZLOETA-SJKOYZFVSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575173862 952358755 /nfs/dbraw/zinc/35/87/55/952358755.db2.gz BQGIQJRPUGJDJX-HNNXBMFYSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575173862 952358764 /nfs/dbraw/zinc/35/87/64/952358764.db2.gz BQGIQJRPUGJDJX-HNNXBMFYSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575173982 952362237 /nfs/dbraw/zinc/36/22/37/952362237.db2.gz DTEXVZXAKCXUGL-BXUZGUMPSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575173982 952362246 /nfs/dbraw/zinc/36/22/46/952362246.db2.gz DTEXVZXAKCXUGL-BXUZGUMPSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575174206 952367224 /nfs/dbraw/zinc/36/72/24/952367224.db2.gz JLIOFSNAIDEMFA-GOSISDBHSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575174206 952367231 /nfs/dbraw/zinc/36/72/31/952367231.db2.gz JLIOFSNAIDEMFA-GOSISDBHSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575174347 952369509 /nfs/dbraw/zinc/36/95/09/952369509.db2.gz MPZLWYDIPTVGKU-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575174347 952369517 /nfs/dbraw/zinc/36/95/17/952369517.db2.gz MPZLWYDIPTVGKU-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575174283 952370201 /nfs/dbraw/zinc/37/02/01/952370201.db2.gz LCSVUPRCEFVJEI-MNOVXSKESA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575174283 952370208 /nfs/dbraw/zinc/37/02/08/952370208.db2.gz LCSVUPRCEFVJEI-MNOVXSKESA-N -1 1 382.432 0.759 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)COCC(F)F)C1CC1 ZINC001575175142 952381958 /nfs/dbraw/zinc/38/19/58/952381958.db2.gz VEWFPFXBZPWCKZ-OAHLLOKOSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575175142 952381961 /nfs/dbraw/zinc/38/19/61/952381961.db2.gz VEWFPFXBZPWCKZ-OAHLLOKOSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CN1CCCCCC1=O ZINC001575174926 952381991 /nfs/dbraw/zinc/38/19/91/952381991.db2.gz ULJPGJHFKWJEFX-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575174926 952381996 /nfs/dbraw/zinc/38/19/96/952381996.db2.gz ULJPGJHFKWJEFX-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnc2[nH]cnc21 ZINC001575176456 952394396 /nfs/dbraw/zinc/39/43/96/952394396.db2.gz DIWMRIRNLCHHKG-VIFPVBQESA-N -1 1 379.388 0.501 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnc2[nH]cnc21 ZINC001575176456 952394404 /nfs/dbraw/zinc/39/44/04/952394404.db2.gz DIWMRIRNLCHHKG-VIFPVBQESA-N -1 1 379.388 0.501 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575176604 952395191 /nfs/dbraw/zinc/39/51/91/952395191.db2.gz DYYUUCCJRZDKPR-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575176604 952395199 /nfs/dbraw/zinc/39/51/99/952395199.db2.gz DYYUUCCJRZDKPR-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575176587 952395740 /nfs/dbraw/zinc/39/57/40/952395740.db2.gz DUZIJPIMWRZNCG-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575176587 952395746 /nfs/dbraw/zinc/39/57/46/952395746.db2.gz DUZIJPIMWRZNCG-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575177171 952398845 /nfs/dbraw/zinc/39/88/45/952398845.db2.gz GYLKGSJBRLYBBE-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575177171 952398852 /nfs/dbraw/zinc/39/88/52/952398852.db2.gz GYLKGSJBRLYBBE-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](COc1ccccc1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575178450 952408161 /nfs/dbraw/zinc/40/81/61/952408161.db2.gz PUSGXDDCFGQCIO-NSHDSACASA-N -1 1 385.384 0.103 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575178749 952408256 /nfs/dbraw/zinc/40/82/56/952408256.db2.gz MGNLEJCEBDNIAS-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575178749 952408259 /nfs/dbraw/zinc/40/82/59/952408259.db2.gz MGNLEJCEBDNIAS-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575180226 952416902 /nfs/dbraw/zinc/41/69/02/952416902.db2.gz UENXVBHCNVLDBW-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575180226 952416903 /nfs/dbraw/zinc/41/69/03/952416903.db2.gz UENXVBHCNVLDBW-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001575180498 952418654 /nfs/dbraw/zinc/41/86/54/952418654.db2.gz UVXDENFOBORUBB-ZCFIWIBFSA-N -1 1 384.853 0.501 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001575180498 952418657 /nfs/dbraw/zinc/41/86/57/952418657.db2.gz UVXDENFOBORUBB-ZCFIWIBFSA-N -1 1 384.853 0.501 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575180962 952421451 /nfs/dbraw/zinc/42/14/51/952421451.db2.gz YSXNDACDLPPJQY-WDSKDSINSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575180962 952421464 /nfs/dbraw/zinc/42/14/64/952421464.db2.gz YSXNDACDLPPJQY-WDSKDSINSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575180959 952421963 /nfs/dbraw/zinc/42/19/63/952421963.db2.gz YSXNDACDLPPJQY-NTSWFWBYSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575180959 952421968 /nfs/dbraw/zinc/42/19/68/952421968.db2.gz YSXNDACDLPPJQY-NTSWFWBYSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001575185279 952431528 /nfs/dbraw/zinc/43/15/28/952431528.db2.gz OMOONORBFDVAMG-MRVPVSSYSA-N -1 1 379.377 0.777 20 0 GCADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001575185279 952431536 /nfs/dbraw/zinc/43/15/36/952431536.db2.gz OMOONORBFDVAMG-MRVPVSSYSA-N -1 1 379.377 0.777 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575189337 952456518 /nfs/dbraw/zinc/45/65/18/952456518.db2.gz NMTLQROAMRQIQM-NEPJUHHUSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575189337 952456529 /nfs/dbraw/zinc/45/65/29/952456529.db2.gz NMTLQROAMRQIQM-NEPJUHHUSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575190575 952463261 /nfs/dbraw/zinc/46/32/61/952463261.db2.gz UNEQJNJNMLMCKX-GFCCVEGCSA-N -1 1 382.428 0.953 20 0 GCADMM CC(C)(C)OC(=O)[C@@]1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCOC1 ZINC001571115252 952465217 /nfs/dbraw/zinc/46/52/17/952465217.db2.gz SMZGCYZNWCMXOM-MRXNPFEDSA-N -1 1 375.389 0.884 20 0 GCADMM CC(C)(C)OC(=O)[C@@]1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCOC1 ZINC001571115252 952465220 /nfs/dbraw/zinc/46/52/20/952465220.db2.gz SMZGCYZNWCMXOM-MRXNPFEDSA-N -1 1 375.389 0.884 20 0 GCADMM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575191091 952466463 /nfs/dbraw/zinc/46/64/63/952466463.db2.gz WZNWUKOSDKLJIW-LBPRGKRZSA-N -1 1 384.419 0.967 20 0 GCADMM O=C(CN1CCCCC1=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571117512 952482252 /nfs/dbraw/zinc/48/22/52/952482252.db2.gz LUPMEMZBAAPGRN-UHFFFAOYSA-N -1 1 375.458 0.241 20 0 GCADMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC001571117811 952484270 /nfs/dbraw/zinc/48/42/70/952484270.db2.gz QVVDTNNMGOTXHC-MSDCIOCKSA-N -1 1 375.414 0.577 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC001571118089 952486547 /nfs/dbraw/zinc/48/65/47/952486547.db2.gz UQEJISVLBXVJQL-CYBMUJFWSA-N -1 1 375.433 0.362 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575199731 952489937 /nfs/dbraw/zinc/48/99/37/952489937.db2.gz FBVXCKMELAZNAT-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575199731 952489940 /nfs/dbraw/zinc/48/99/40/952489940.db2.gz FBVXCKMELAZNAT-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571119542 952492149 /nfs/dbraw/zinc/49/21/49/952492149.db2.gz CNSCTEQQRYWVJE-NSHDSACASA-N -1 1 376.396 0.260 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571119542 952492155 /nfs/dbraw/zinc/49/21/55/952492155.db2.gz CNSCTEQQRYWVJE-NSHDSACASA-N -1 1 376.396 0.260 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200208 952492142 /nfs/dbraw/zinc/49/21/42/952492142.db2.gz ALJSTBPXEUVYCN-AVGNSLFASA-N -1 1 382.428 0.857 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1Cc2ccccc2C1 ZINC001571119600 952494063 /nfs/dbraw/zinc/49/40/63/952494063.db2.gz DHFDEUQAPJVXQO-OAHLLOKOSA-N -1 1 376.424 0.767 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1Cc2ccccc2C1 ZINC001571119600 952494071 /nfs/dbraw/zinc/49/40/71/952494071.db2.gz DHFDEUQAPJVXQO-OAHLLOKOSA-N -1 1 376.424 0.767 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575200656 952497491 /nfs/dbraw/zinc/49/74/91/952497491.db2.gz JZLXDOSAICVKCK-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575200656 952497495 /nfs/dbraw/zinc/49/74/95/952497495.db2.gz JZLXDOSAICVKCK-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571120126 952498454 /nfs/dbraw/zinc/49/84/54/952498454.db2.gz JQZWKQWNHXRJHT-UHFFFAOYSA-N -1 1 376.396 0.482 20 0 GCADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571120126 952498462 /nfs/dbraw/zinc/49/84/62/952498462.db2.gz JQZWKQWNHXRJHT-UHFFFAOYSA-N -1 1 376.396 0.482 20 0 GCADMM COC(=O)c1ccc(N2CCC(CCO)(CCO)CC2)c(-c2nnn[n-]2)n1 ZINC001571120066 952499123 /nfs/dbraw/zinc/49/91/23/952499123.db2.gz IVTNENGLAURPBI-UHFFFAOYSA-N -1 1 376.417 0.400 20 0 GCADMM COC(=O)c1ccc(N2CCC(CCO)(CCO)CC2)c(-c2nn[n-]n2)n1 ZINC001571120066 952499125 /nfs/dbraw/zinc/49/91/25/952499125.db2.gz IVTNENGLAURPBI-UHFFFAOYSA-N -1 1 376.417 0.400 20 0 GCADMM COC(=O)[C@@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)CC1CCCC1 ZINC001571120224 952501766 /nfs/dbraw/zinc/50/17/66/952501766.db2.gz LGCRYCNMMRQZOL-CMPLNLGQSA-N -1 1 376.421 0.505 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571120782 952508901 /nfs/dbraw/zinc/50/89/01/952508901.db2.gz RBMGGVPFPLSERT-BZNIZROVSA-N -1 1 376.396 0.213 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571120782 952508907 /nfs/dbraw/zinc/50/89/07/952508907.db2.gz RBMGGVPFPLSERT-BZNIZROVSA-N -1 1 376.396 0.213 20 0 GCADMM C[C@H](Cc1ccsc1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575202020 952509798 /nfs/dbraw/zinc/50/97/98/952509798.db2.gz MDGBNTZRQLNPMS-SECBINFHSA-N -1 1 375.414 0.280 20 0 GCADMM CCCS(=O)(=O)Nc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001571120901 952511534 /nfs/dbraw/zinc/51/15/34/952511534.db2.gz SWLVHSICRUVAGB-UHFFFAOYSA-N -1 1 376.402 0.994 20 0 GCADMM CCCS(=O)(=O)Nc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001571120901 952511541 /nfs/dbraw/zinc/51/15/41/952511541.db2.gz SWLVHSICRUVAGB-UHFFFAOYSA-N -1 1 376.402 0.994 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(Cl)no1 ZINC001571120953 952511650 /nfs/dbraw/zinc/51/16/50/952511650.db2.gz SGGUZMHIGACETQ-SFYZADRCSA-N -1 1 375.780 0.435 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575202310 952511918 /nfs/dbraw/zinc/51/19/18/952511918.db2.gz VHDWXCVDPFWVHT-GFCCVEGCSA-N -1 1 384.448 0.164 20 0 GCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1COCCN1CC(F)(F)F ZINC001571120948 952512234 /nfs/dbraw/zinc/51/22/34/952512234.db2.gz SGBNDKVIGDBYNY-VIFPVBQESA-N -1 1 376.364 0.808 20 0 GCADMM CC[C@@H](OC)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571121199 952515778 /nfs/dbraw/zinc/51/57/78/952515778.db2.gz XQJJNRMZNSMTRA-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM CC[C@@H](OC)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571121199 952515783 /nfs/dbraw/zinc/51/57/83/952515783.db2.gz XQJJNRMZNSMTRA-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cc(Cl)no1 ZINC001571121247 952517939 /nfs/dbraw/zinc/51/79/39/952517939.db2.gz ZFWCDDMRSQZJGC-QMMMGPOBSA-N -1 1 375.780 0.697 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cc(Cl)no1 ZINC001571121247 952517941 /nfs/dbraw/zinc/51/79/41/952517941.db2.gz ZFWCDDMRSQZJGC-QMMMGPOBSA-N -1 1 375.780 0.697 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575203071 952518577 /nfs/dbraw/zinc/51/85/77/952518577.db2.gz ZMKBJLMWUKSPPR-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575203071 952518584 /nfs/dbraw/zinc/51/85/84/952518584.db2.gz ZMKBJLMWUKSPPR-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM CCn1cc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c(=O)[nH]c1=O ZINC001571121587 952521147 /nfs/dbraw/zinc/52/11/47/952521147.db2.gz ACROJOVJELEQSN-UHFFFAOYSA-N -1 1 377.311 0.357 20 0 GCADMM CCn1cc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c(=O)[nH]c1=O ZINC001571121587 952521152 /nfs/dbraw/zinc/52/11/52/952521152.db2.gz ACROJOVJELEQSN-UHFFFAOYSA-N -1 1 377.311 0.357 20 0 GCADMM CCOC(=O)c1nc[nH]c1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571123090 952527485 /nfs/dbraw/zinc/52/74/85/952527485.db2.gz OCNPOCSEQJVSHP-UHFFFAOYSA-N -1 1 377.311 0.975 20 0 GCADMM CCOC(=O)c1nc[nH]c1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571123090 952527489 /nfs/dbraw/zinc/52/74/89/952527489.db2.gz OCNPOCSEQJVSHP-UHFFFAOYSA-N -1 1 377.311 0.975 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571123139 952528812 /nfs/dbraw/zinc/52/88/12/952528812.db2.gz QCYRACJVETWSOF-NEPJUHHUSA-N -1 1 376.442 0.382 20 0 GCADMM CCc1cccnc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571124604 952541353 /nfs/dbraw/zinc/54/13/53/952541353.db2.gz ORLRSQFDQPVLKX-JYAVWHMHSA-N -1 1 377.412 0.479 20 0 GCADMM O=C(c1ccc(C2CC2)cn1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571127053 952549260 /nfs/dbraw/zinc/54/92/60/952549260.db2.gz DQCJWKKOFVMNNE-CYBMUJFWSA-N -1 1 377.412 0.678 20 0 GCADMM O=C(c1cccnc1)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571127147 952550482 /nfs/dbraw/zinc/55/04/82/952550482.db2.gz HFHAFOMSFDXAQY-KBPBESRZSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(c1cccnc1)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571127147 952550483 /nfs/dbraw/zinc/55/04/83/952550483.db2.gz HFHAFOMSFDXAQY-KBPBESRZSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(c1cnccn1)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571127183 952551762 /nfs/dbraw/zinc/55/17/62/952551762.db2.gz AUENFHNMXKHYRY-UHFFFAOYSA-N -1 1 377.821 0.729 20 0 GCADMM O=C(c1cnccn1)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571127183 952551765 /nfs/dbraw/zinc/55/17/65/952551765.db2.gz AUENFHNMXKHYRY-UHFFFAOYSA-N -1 1 377.821 0.729 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2cccnc21 ZINC001571127280 952552930 /nfs/dbraw/zinc/55/29/30/952552930.db2.gz ILAXEOQWNMHOKN-OLZOCXBDSA-N -1 1 377.412 0.477 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ncc(Cl)s1 ZINC001571127874 952560431 /nfs/dbraw/zinc/56/04/31/952560431.db2.gz LIJFTDKILHEUBF-SSDOTTSWSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ncc(Cl)s1 ZINC001571127874 952560439 /nfs/dbraw/zinc/56/04/39/952560439.db2.gz LIJFTDKILHEUBF-SSDOTTSWSA-N -1 1 377.821 0.775 20 0 GCADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571128742 952569792 /nfs/dbraw/zinc/56/97/92/952569792.db2.gz XGYYJVKGXHYYNS-MRVPVSSYSA-N -1 1 377.459 0.834 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571128794 952571318 /nfs/dbraw/zinc/57/13/18/952571318.db2.gz WTACRVWCNRCKHZ-DZGCQCFKSA-N -1 1 377.412 0.332 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571128794 952571323 /nfs/dbraw/zinc/57/13/23/952571323.db2.gz WTACRVWCNRCKHZ-DZGCQCFKSA-N -1 1 377.412 0.332 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571128780 952571399 /nfs/dbraw/zinc/57/13/99/952571399.db2.gz WKRJIWVBUIESMX-OLZOCXBDSA-N -1 1 377.412 0.162 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571129033 952572972 /nfs/dbraw/zinc/57/29/72/952572972.db2.gz ZPXDNTRVFMWXHS-DZGCQCFKSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571129033 952572975 /nfs/dbraw/zinc/57/29/75/952572975.db2.gz ZPXDNTRVFMWXHS-DZGCQCFKSA-N -1 1 377.412 0.793 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(F)[C@@H](CNC(=O)C3CC3)C2)n1 ZINC001571129553 952575171 /nfs/dbraw/zinc/57/51/71/952575171.db2.gz GWDULNPTFKCBPX-NSHDSACASA-N -1 1 378.387 0.953 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)(F)[C@@H](CNC(=O)C3CC3)C2)n1 ZINC001571129553 952575174 /nfs/dbraw/zinc/57/51/74/952575174.db2.gz GWDULNPTFKCBPX-NSHDSACASA-N -1 1 378.387 0.953 20 0 GCADMM C[C@@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC001571130227 952579953 /nfs/dbraw/zinc/57/99/53/952579953.db2.gz QDOANMJNEGFARP-OAHLLOKOSA-N -1 1 378.389 0.587 20 0 GCADMM C[C@@](O)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC001571130227 952579957 /nfs/dbraw/zinc/57/99/57/952579957.db2.gz QDOANMJNEGFARP-OAHLLOKOSA-N -1 1 378.389 0.587 20 0 GCADMM Cc1cccc(CC(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134484 952590666 /nfs/dbraw/zinc/59/06/66/952590666.db2.gz IWLAHGALWJMXGN-OAHLLOKOSA-N -1 1 378.440 0.890 20 0 GCADMM COC(=O)C(C)(C)CN(CC(C)C)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571134440 952590726 /nfs/dbraw/zinc/59/07/26/952590726.db2.gz GLAQUJHERFXGPP-LLVKDONJSA-N -1 1 378.437 0.703 20 0 GCADMM COC(=O)C(C)(C)CN(CC(C)C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571134441 952590897 /nfs/dbraw/zinc/59/08/97/952590897.db2.gz GLAQUJHERFXGPP-NSHDSACASA-N -1 1 378.437 0.703 20 0 GCADMM Cc1cc(C)cc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135267 952601485 /nfs/dbraw/zinc/60/14/85/952601485.db2.gz SDPDWNDHPNCQBA-HNNXBMFYSA-N -1 1 378.440 0.951 20 0 GCADMM O=C(c1cccc2c1OCC2)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571135691 952607204 /nfs/dbraw/zinc/60/72/04/952607204.db2.gz BFYFAJHTWRXNFR-UHFFFAOYSA-N -1 1 378.396 0.554 20 0 GCADMM O=C(c1cccc2c1OCC2)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571135691 952607208 /nfs/dbraw/zinc/60/72/08/952607208.db2.gz BFYFAJHTWRXNFR-UHFFFAOYSA-N -1 1 378.396 0.554 20 0 GCADMM CC(C)(F)C(=O)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571135794 952608762 /nfs/dbraw/zinc/60/87/62/952608762.db2.gz DVTVDSAHISUKAQ-UHFFFAOYSA-N -1 1 378.412 0.195 20 0 GCADMM O=C(c1ccc2c(c1)CCO2)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135854 952609248 /nfs/dbraw/zinc/60/92/48/952609248.db2.gz GGXWYHXETSHECO-ZDUSSCGKSA-N -1 1 378.396 0.918 20 0 GCADMM O=C(c1ccc2c(c1)CCO2)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135854 952609249 /nfs/dbraw/zinc/60/92/49/952609249.db2.gz GGXWYHXETSHECO-ZDUSSCGKSA-N -1 1 378.396 0.918 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1COc2ccccc21 ZINC001571135892 952610188 /nfs/dbraw/zinc/61/01/88/952610188.db2.gz HGAYIMMCTDGMBK-WCQYABFASA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1COc2ccccc21 ZINC001571135892 952610191 /nfs/dbraw/zinc/61/01/91/952610191.db2.gz HGAYIMMCTDGMBK-WCQYABFASA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc2c1OCC2 ZINC001571136082 952612100 /nfs/dbraw/zinc/61/21/00/952612100.db2.gz MBORNBPAQAIDCY-TXEJJXNPSA-N -1 1 378.396 0.386 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)ncn1 ZINC001571136586 952615009 /nfs/dbraw/zinc/61/50/09/952615009.db2.gz RSHCUHGPAAFVNZ-TXEJJXNPSA-N -1 1 378.400 0.249 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)ncn1 ZINC001571136586 952615012 /nfs/dbraw/zinc/61/50/12/952615012.db2.gz RSHCUHGPAAFVNZ-TXEJJXNPSA-N -1 1 378.400 0.249 20 0 GCADMM O=C(c1ccnnc1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571136612 952615219 /nfs/dbraw/zinc/61/52/19/952615219.db2.gz SUZJFTMYOMPCOU-OLZOCXBDSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1ccnnc1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571136612 952615221 /nfs/dbraw/zinc/61/52/21/952615221.db2.gz SUZJFTMYOMPCOU-OLZOCXBDSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571136809 952615827 /nfs/dbraw/zinc/61/58/27/952615827.db2.gz WRCSYZLHLGMSAO-UONOGXRCSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571136809 952615830 /nfs/dbraw/zinc/61/58/30/952615830.db2.gz WRCSYZLHLGMSAO-UONOGXRCSA-N -1 1 378.400 0.330 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571136792 952615858 /nfs/dbraw/zinc/61/58/58/952615858.db2.gz WARCBNDGTUJBRR-VXGBXAGGSA-N -1 1 378.412 0.680 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571136792 952615861 /nfs/dbraw/zinc/61/58/61/952615861.db2.gz WARCBNDGTUJBRR-VXGBXAGGSA-N -1 1 378.412 0.680 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccn2)n1 ZINC001571136978 952616789 /nfs/dbraw/zinc/61/67/89/952616789.db2.gz YVIIZVYLIMTOCU-TXEJJXNPSA-N -1 1 378.400 0.249 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccn2)n1 ZINC001571136978 952616792 /nfs/dbraw/zinc/61/67/92/952616792.db2.gz YVIIZVYLIMTOCU-TXEJJXNPSA-N -1 1 378.400 0.249 20 0 GCADMM O=C(c1ncccn1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571137015 952618352 /nfs/dbraw/zinc/61/83/52/952618352.db2.gz ZQJROWYAYWDECG-NEPJUHHUSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1ncccn1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571137015 952618354 /nfs/dbraw/zinc/61/83/54/952618354.db2.gz ZQJROWYAYWDECG-NEPJUHHUSA-N -1 1 378.400 0.330 20 0 GCADMM Cc1nc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)no1 ZINC001571139574 952621154 /nfs/dbraw/zinc/62/11/54/952621154.db2.gz ITBJWKXKTMIFGZ-VIFPVBQESA-N -1 1 379.377 0.875 20 0 GCADMM Cn1cc(Cl)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)n1 ZINC001571142722 952644986 /nfs/dbraw/zinc/64/49/86/952644986.db2.gz WQTPILVTLYEOBH-UHFFFAOYSA-N -1 1 378.784 0.066 20 0 GCADMM Cn1cc(Cl)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)n1 ZINC001571142722 952644988 /nfs/dbraw/zinc/64/49/88/952644988.db2.gz WQTPILVTLYEOBH-UHFFFAOYSA-N -1 1 378.784 0.066 20 0 GCADMM O=C(Cc1cccnc1)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571146230 952648091 /nfs/dbraw/zinc/64/80/91/952648091.db2.gz DTZGXKRIISLZJW-KBPBESRZSA-N -1 1 379.428 0.991 20 0 GCADMM O=C(Cc1cccnc1)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571146230 952648096 /nfs/dbraw/zinc/64/80/96/952648096.db2.gz DTZGXKRIISLZJW-KBPBESRZSA-N -1 1 379.428 0.991 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)c1 ZINC001571146618 952650090 /nfs/dbraw/zinc/65/00/90/952650090.db2.gz JXEVJDCEWDKHOR-UBHSHLNASA-N -1 1 379.428 0.783 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)c1 ZINC001571146618 952650093 /nfs/dbraw/zinc/65/00/93/952650093.db2.gz JXEVJDCEWDKHOR-UBHSHLNASA-N -1 1 379.428 0.783 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571146602 952650182 /nfs/dbraw/zinc/65/01/82/952650182.db2.gz JNLRGXZPHHGDSV-GXTWGEPZSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571146602 952650185 /nfs/dbraw/zinc/65/01/85/952650185.db2.gz JNLRGXZPHHGDSV-GXTWGEPZSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571146605 952650377 /nfs/dbraw/zinc/65/03/77/952650377.db2.gz JNLRGXZPHHGDSV-TZMCWYRMSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571146605 952650379 /nfs/dbraw/zinc/65/03/79/952650379.db2.gz JNLRGXZPHHGDSV-TZMCWYRMSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571146565 952650471 /nfs/dbraw/zinc/65/04/71/952650471.db2.gz ISKDREQCLXANRW-CABCVRRESA-N -1 1 379.428 0.879 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571146565 952650472 /nfs/dbraw/zinc/65/04/72/952650472.db2.gz ISKDREQCLXANRW-CABCVRRESA-N -1 1 379.428 0.879 20 0 GCADMM O=C(Cc1ccc[nH]1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001571146742 952652555 /nfs/dbraw/zinc/65/25/55/952652555.db2.gz MHPBLGYVXDQFHN-YUTCNCBUSA-N -1 1 379.428 0.701 20 0 GCADMM O=C(Cc1ccc[nH]1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001571146742 952652557 /nfs/dbraw/zinc/65/25/57/952652557.db2.gz MHPBLGYVXDQFHN-YUTCNCBUSA-N -1 1 379.428 0.701 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001571146917 952654441 /nfs/dbraw/zinc/65/44/41/952654441.db2.gz CVNRTORCRNEERK-LBPRGKRZSA-N -1 1 379.428 0.824 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001571146917 952654444 /nfs/dbraw/zinc/65/44/44/952654444.db2.gz CVNRTORCRNEERK-LBPRGKRZSA-N -1 1 379.428 0.824 20 0 GCADMM CCc1cccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571146946 952655293 /nfs/dbraw/zinc/65/52/93/952655293.db2.gz DLSCWCVTKPKCOF-FZMZJTMJSA-N -1 1 379.428 0.609 20 0 GCADMM CCc1cccc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571146980 952655735 /nfs/dbraw/zinc/65/57/35/952655735.db2.gz FKOTXSKVMDVHEK-GFCCVEGCSA-N -1 1 379.428 0.870 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cc2n(c1)CCCC2 ZINC001571147232 952659017 /nfs/dbraw/zinc/65/90/17/952659017.db2.gz UQGURHVXNLTXKC-JOCQHMNTSA-N -1 1 379.428 0.589 20 0 GCADMM Cn1ccc(C(=O)N[C@@]23CCC[C@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)c1 ZINC001571147491 952661747 /nfs/dbraw/zinc/66/17/47/952661747.db2.gz ZVTRCBUIDASNEI-FZKQIMNGSA-N -1 1 379.428 0.927 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)c3cccnc3)C2)n1 ZINC001571147959 952664481 /nfs/dbraw/zinc/66/44/81/952664481.db2.gz SBGQZULYGQILEW-ZDUSSCGKSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)c3cccnc3)C2)n1 ZINC001571147959 952664484 /nfs/dbraw/zinc/66/44/84/952664484.db2.gz SBGQZULYGQILEW-ZDUSSCGKSA-N -1 1 379.428 0.965 20 0 GCADMM O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)c1cccc(-c2nnn[n-]2)n1 ZINC001571152245 952682159 /nfs/dbraw/zinc/68/21/59/952682159.db2.gz FWTXUNKYYIYUHJ-UHFFFAOYSA-N -1 1 380.368 0.381 20 0 GCADMM O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)c1cccc(-c2nn[n-]n2)n1 ZINC001571152245 952682162 /nfs/dbraw/zinc/68/21/62/952682162.db2.gz FWTXUNKYYIYUHJ-UHFFFAOYSA-N -1 1 380.368 0.381 20 0 GCADMM O=C(NC[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cn[nH]c1 ZINC001571152889 952683713 /nfs/dbraw/zinc/68/37/13/952683713.db2.gz KIKPJCDYSPYLRB-SSDOTTSWSA-N -1 1 379.837 0.956 20 0 GCADMM Cn1c(=O)[nH]c(NCC(C)(C)NC(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1=O ZINC001571155055 952691225 /nfs/dbraw/zinc/69/12/25/952691225.db2.gz FVFPRWZAXPFTKT-UHFFFAOYSA-N -1 1 380.409 0.381 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C)o2)n1 ZINC001571155289 952694515 /nfs/dbraw/zinc/69/45/15/952694515.db2.gz NCOPKZUZGHIQQS-CDMJZVDBSA-N -1 1 380.412 0.985 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C)o2)n1 ZINC001571155289 952694518 /nfs/dbraw/zinc/69/45/18/952694518.db2.gz NCOPKZUZGHIQQS-CDMJZVDBSA-N -1 1 380.412 0.985 20 0 GCADMM O=C([C@H]1Cc2ccc(F)cc21)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571155409 952696863 /nfs/dbraw/zinc/69/68/63/952696863.db2.gz QWALUGDIYKHUDA-OCCSQVGLSA-N -1 1 380.387 0.570 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571155994 952699889 /nfs/dbraw/zinc/69/98/89/952699889.db2.gz AFHXZUUFDFZGES-XHDPSFHLSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571155994 952699892 /nfs/dbraw/zinc/69/98/92/952699892.db2.gz AFHXZUUFDFZGES-XHDPSFHLSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1cccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)n1 ZINC001571156617 952702063 /nfs/dbraw/zinc/70/20/63/952702063.db2.gz FGASRWQZYCKLND-DGCLKSJQSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1cccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)n1 ZINC001571156617 952702067 /nfs/dbraw/zinc/70/20/67/952702067.db2.gz FGASRWQZYCKLND-DGCLKSJQSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)cc(C)n1 ZINC001571156781 952704618 /nfs/dbraw/zinc/70/46/18/952704618.db2.gz JKWKNKWWHGEXOE-TZMCWYRMSA-N -1 1 379.428 0.806 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)cc(C)n1 ZINC001571156778 952705091 /nfs/dbraw/zinc/70/50/91/952705091.db2.gz JKWKNKWWHGEXOE-GXTWGEPZSA-N -1 1 379.428 0.806 20 0 GCADMM Cc1cncc(CC(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571157205 952707387 /nfs/dbraw/zinc/70/73/87/952707387.db2.gz NLMMXXDLMUBMKW-AWEZNQCLSA-N -1 1 379.428 0.924 20 0 GCADMM Cc1cncc(CC(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571157205 952707391 /nfs/dbraw/zinc/70/73/91/952707391.db2.gz NLMMXXDLMUBMKW-AWEZNQCLSA-N -1 1 379.428 0.924 20 0 GCADMM COc1cc(C)ccc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571158310 952711304 /nfs/dbraw/zinc/71/13/04/952711304.db2.gz GSDMBCADTNOODP-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM COc1cc(C)ccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571158310 952711305 /nfs/dbraw/zinc/71/13/05/952711305.db2.gz GSDMBCADTNOODP-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM COc1cccc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571158991 952715658 /nfs/dbraw/zinc/71/56/58/952715658.db2.gz OTOMUFMVDHDRQP-GFCCVEGCSA-N -1 1 380.412 0.922 20 0 GCADMM COc1ccc(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571159068 952716907 /nfs/dbraw/zinc/71/69/07/952716907.db2.gz PXMFYIJFEBBIHT-JOCQHMNTSA-N -1 1 380.412 0.967 20 0 GCADMM COc1ccc(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571159068 952716909 /nfs/dbraw/zinc/71/69/09/952716909.db2.gz PXMFYIJFEBBIHT-JOCQHMNTSA-N -1 1 380.412 0.967 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)ccn1 ZINC001571159796 952722018 /nfs/dbraw/zinc/72/20/18/952722018.db2.gz XATUYXAIHSQFIV-ZIAGYGMSSA-N -1 1 379.428 0.935 20 0 GCADMM Cc1ccc(OCC(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001571159758 952722205 /nfs/dbraw/zinc/72/22/05/952722205.db2.gz ZVOZJFJATNTNBO-UHFFFAOYSA-N -1 1 380.412 0.693 20 0 GCADMM Cc1ccc(OCC(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001571159758 952722213 /nfs/dbraw/zinc/72/22/13/952722213.db2.gz ZVOZJFJATNTNBO-UHFFFAOYSA-N -1 1 380.412 0.693 20 0 GCADMM Cc1cccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571159785 952722383 /nfs/dbraw/zinc/72/23/83/952722383.db2.gz WSPTZZRWOMOSMV-ZDUSSCGKSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1cccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571159785 952722385 /nfs/dbraw/zinc/72/23/85/952722385.db2.gz WSPTZZRWOMOSMV-ZDUSSCGKSA-N -1 1 379.428 0.959 20 0 GCADMM O=C(Cc1ccoc1)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571160088 952724002 /nfs/dbraw/zinc/72/40/02/952724002.db2.gz DLNDZHHANSOJCQ-AWEZNQCLSA-N -1 1 380.412 0.968 20 0 GCADMM O=C(Cc1ccoc1)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571160088 952724004 /nfs/dbraw/zinc/72/40/04/952724004.db2.gz DLNDZHHANSOJCQ-AWEZNQCLSA-N -1 1 380.412 0.968 20 0 GCADMM O=C(Cc1ccccc1)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571161479 952732921 /nfs/dbraw/zinc/73/29/21/952732921.db2.gz WXRFZOVBDCEBQK-AWEZNQCLSA-N -1 1 380.412 0.539 20 0 GCADMM O=C(Cc1ccccc1)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571161479 952732926 /nfs/dbraw/zinc/73/29/26/952732926.db2.gz WXRFZOVBDCEBQK-AWEZNQCLSA-N -1 1 380.412 0.539 20 0 GCADMM C[C@@H](NC(=O)c1cccnn1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571161790 952733847 /nfs/dbraw/zinc/73/38/47/952733847.db2.gz AFKJYTFJRMVLNV-LLVKDONJSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@@H](NC(=O)c1cccnn1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571161790 952733850 /nfs/dbraw/zinc/73/38/50/952733850.db2.gz AFKJYTFJRMVLNV-LLVKDONJSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CNC(=O)c3ncccn3)C2)n1 ZINC001571161870 952734998 /nfs/dbraw/zinc/73/49/98/952734998.db2.gz CTRZFNLTRKWODV-GFCCVEGCSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CNC(=O)c3ncccn3)C2)n1 ZINC001571161870 952735002 /nfs/dbraw/zinc/73/50/02/952735002.db2.gz CTRZFNLTRKWODV-GFCCVEGCSA-N -1 1 380.416 0.402 20 0 GCADMM CCn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571161861 952735116 /nfs/dbraw/zinc/73/51/16/952735116.db2.gz CKCOOOZTRXGYDT-GYSYKLTISA-N -1 1 380.416 0.413 20 0 GCADMM CCn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571161861 952735120 /nfs/dbraw/zinc/73/51/20/952735120.db2.gz CKCOOOZTRXGYDT-GYSYKLTISA-N -1 1 380.416 0.413 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)c3ccnc(C)n3)C2)n1 ZINC001571161802 952735416 /nfs/dbraw/zinc/73/54/16/952735416.db2.gz AWNWQOIWKAPGFD-LBPRGKRZSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)c3ccnc(C)n3)C2)n1 ZINC001571161802 952735419 /nfs/dbraw/zinc/73/54/19/952735419.db2.gz AWNWQOIWKAPGFD-LBPRGKRZSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)c3ccnc(C)n3)C2)n1 ZINC001571161801 952735452 /nfs/dbraw/zinc/73/54/52/952735452.db2.gz AWNWQOIWKAPGFD-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)c3ccnc(C)n3)C2)n1 ZINC001571161801 952735457 /nfs/dbraw/zinc/73/54/57/952735457.db2.gz AWNWQOIWKAPGFD-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571161838 952735685 /nfs/dbraw/zinc/73/56/85/952735685.db2.gz BSMBVIKVOOFIQF-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571161838 952735689 /nfs/dbraw/zinc/73/56/89/952735689.db2.gz BSMBVIKVOOFIQF-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(C)c2)C3)n1 ZINC001571161932 952735991 /nfs/dbraw/zinc/73/59/91/952735991.db2.gz FLVVYHGRJUBAKO-DYEKYZERSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(C)c2)C3)n1 ZINC001571161932 952735994 /nfs/dbraw/zinc/73/59/94/952735994.db2.gz FLVVYHGRJUBAKO-DYEKYZERSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571161901 952736243 /nfs/dbraw/zinc/73/62/43/952736243.db2.gz DQLLZJXUHQQKHN-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571161901 952736247 /nfs/dbraw/zinc/73/62/47/952736247.db2.gz DQLLZJXUHQQKHN-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571161896 952736357 /nfs/dbraw/zinc/73/63/57/952736357.db2.gz DOJQJHWCRWLMKH-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571161896 952736361 /nfs/dbraw/zinc/73/63/61/952736361.db2.gz DOJQJHWCRWLMKH-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571161903 952736768 /nfs/dbraw/zinc/73/67/68/952736768.db2.gz DQLLZJXUHQQKHN-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571161903 952736771 /nfs/dbraw/zinc/73/67/71/952736771.db2.gz DQLLZJXUHQQKHN-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1ncccn1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571162038 952737189 /nfs/dbraw/zinc/73/71/89/952737189.db2.gz IMMUUJLMOWBEMO-LBPRGKRZSA-N -1 1 380.416 0.578 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1ncccn1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571162038 952737192 /nfs/dbraw/zinc/73/71/92/952737192.db2.gz IMMUUJLMOWBEMO-LBPRGKRZSA-N -1 1 380.416 0.578 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)n1 ZINC001571161989 952737204 /nfs/dbraw/zinc/73/72/04/952737204.db2.gz GXNCDNGSAZRWJA-JTQLQIEISA-N -1 1 380.416 0.504 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)n1 ZINC001571161989 952737209 /nfs/dbraw/zinc/73/72/09/952737209.db2.gz GXNCDNGSAZRWJA-JTQLQIEISA-N -1 1 380.416 0.504 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCN(C(=O)c4ccnn4C)[C@@H]3C2)n1 ZINC001571161996 952737465 /nfs/dbraw/zinc/73/74/65/952737465.db2.gz HCPMMPCMNZYSPX-SMDDNHRTSA-N -1 1 380.416 0.050 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCN(C(=O)c4ccnn4C)[C@@H]3C2)n1 ZINC001571161996 952737469 /nfs/dbraw/zinc/73/74/69/952737469.db2.gz HCPMMPCMNZYSPX-SMDDNHRTSA-N -1 1 380.416 0.050 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cnccn2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571161991 952737610 /nfs/dbraw/zinc/73/76/10/952737610.db2.gz GYGXRYCQJBSSDE-LBPRGKRZSA-N -1 1 380.416 0.435 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cnccn2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571161991 952737613 /nfs/dbraw/zinc/73/76/13/952737613.db2.gz GYGXRYCQJBSSDE-LBPRGKRZSA-N -1 1 380.416 0.435 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571161983 952737620 /nfs/dbraw/zinc/73/76/20/952737620.db2.gz GWPJZECFSJMWQC-MNOVXSKESA-N -1 1 380.416 0.372 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571161983 952737621 /nfs/dbraw/zinc/73/76/21/952737621.db2.gz GWPJZECFSJMWQC-MNOVXSKESA-N -1 1 380.416 0.372 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571162110 952738525 /nfs/dbraw/zinc/73/85/25/952738525.db2.gz KHSJFPKUVXRKOV-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571162110 952738533 /nfs/dbraw/zinc/73/85/33/952738533.db2.gz KHSJFPKUVXRKOV-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1c[nH]nc1C1CC1 ZINC001571162100 952738997 /nfs/dbraw/zinc/73/89/97/952738997.db2.gz JYVKRQHSWTZPCR-MWLCHTKSSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1c[nH]nc1C1CC1 ZINC001571162100 952739001 /nfs/dbraw/zinc/73/90/01/952739001.db2.gz JYVKRQHSWTZPCR-MWLCHTKSSA-N -1 1 380.416 0.972 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3ccnnc3)CC[C@@H]2C)n1 ZINC001571162172 952739985 /nfs/dbraw/zinc/73/99/85/952739985.db2.gz MXCKWGODFJVVNS-AAEUAGOBSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3ccnnc3)CC[C@@H]2C)n1 ZINC001571162172 952739987 /nfs/dbraw/zinc/73/99/87/952739987.db2.gz MXCKWGODFJVVNS-AAEUAGOBSA-N -1 1 380.416 0.542 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571162179 952740117 /nfs/dbraw/zinc/74/01/17/952740117.db2.gz MXGJSLAZOGNGRB-YMTOWFKASA-N -1 1 380.416 0.830 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571162214 952740499 /nfs/dbraw/zinc/74/04/99/952740499.db2.gz NZBNHLFOOKQTBU-NWDGAFQWSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571162214 952740503 /nfs/dbraw/zinc/74/05/03/952740503.db2.gz NZBNHLFOOKQTBU-NWDGAFQWSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571162233 952740542 /nfs/dbraw/zinc/74/05/42/952740542.db2.gz OFVDGFVOMSHUPS-TVQRCGJNSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571162233 952740546 /nfs/dbraw/zinc/74/05/46/952740546.db2.gz OFVDGFVOMSHUPS-TVQRCGJNSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@H]2NC(=O)c2ncccn2)n1 ZINC001571162250 952741319 /nfs/dbraw/zinc/74/13/19/952741319.db2.gz OQBUMWIUGRSLDY-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@H]2NC(=O)c2ncccn2)n1 ZINC001571162250 952741323 /nfs/dbraw/zinc/74/13/23/952741323.db2.gz OQBUMWIUGRSLDY-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571162295 952741835 /nfs/dbraw/zinc/74/18/35/952741835.db2.gz PTGFHVODFWEUBM-PWSUYJOCSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571162295 952741838 /nfs/dbraw/zinc/74/18/38/952741838.db2.gz PTGFHVODFWEUBM-PWSUYJOCSA-N -1 1 380.416 0.372 20 0 GCADMM CN(C)c1ncccc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162356 952742333 /nfs/dbraw/zinc/74/23/33/952742333.db2.gz RPFBWCFQTFRVLE-PHIMTYICSA-N -1 1 380.416 0.491 20 0 GCADMM CN(C)c1ncccc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162356 952742339 /nfs/dbraw/zinc/74/23/39/952742339.db2.gz RPFBWCFQTFRVLE-PHIMTYICSA-N -1 1 380.416 0.491 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cnn1 ZINC001571162382 952742878 /nfs/dbraw/zinc/74/28/78/952742878.db2.gz SJWJAFJMEITOTJ-CYBMUJFWSA-N -1 1 380.416 0.284 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)c1C ZINC001571162359 952743188 /nfs/dbraw/zinc/74/31/88/952743188.db2.gz RSFJEWAZWJTSJV-TXEJJXNPSA-N -1 1 380.416 0.205 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)c1C ZINC001571162359 952743190 /nfs/dbraw/zinc/74/31/90/952743190.db2.gz RSFJEWAZWJTSJV-TXEJJXNPSA-N -1 1 380.416 0.205 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571162376 952743553 /nfs/dbraw/zinc/74/35/53/952743553.db2.gz SHFBPBVUMSYQNS-NEPJUHHUSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571162394 952743599 /nfs/dbraw/zinc/74/35/99/952743599.db2.gz SRWGCZPMCHSBII-NEPJUHHUSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571162394 952743603 /nfs/dbraw/zinc/74/36/03/952743603.db2.gz SRWGCZPMCHSBII-NEPJUHHUSA-N -1 1 380.416 0.718 20 0 GCADMM CCN(C(=O)c1cncnc1C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571162571 952743835 /nfs/dbraw/zinc/74/38/35/952743835.db2.gz VVSPBNXHMHGPFX-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1cncnc1C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571162571 952743839 /nfs/dbraw/zinc/74/38/39/952743839.db2.gz VVSPBNXHMHGPFX-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3ccc(C)nn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571162611 952744104 /nfs/dbraw/zinc/74/41/04/952744104.db2.gz WCUHMHVHLWIEFG-PHIMTYICSA-N -1 1 380.416 0.690 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3ccc(C)nn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571162611 952744106 /nfs/dbraw/zinc/74/41/06/952744106.db2.gz WCUHMHVHLWIEFG-PHIMTYICSA-N -1 1 380.416 0.690 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(C)nn1 ZINC001571162637 952744868 /nfs/dbraw/zinc/74/48/68/952744868.db2.gz WYPHPZYKXCJQEM-HAQNSBGRSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(C)nn1 ZINC001571162637 952744874 /nfs/dbraw/zinc/74/48/74/952744874.db2.gz WYPHPZYKXCJQEM-HAQNSBGRSA-N -1 1 380.416 0.684 20 0 GCADMM CN(C(=O)c1cn2c(n1)CCC2)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162651 952745321 /nfs/dbraw/zinc/74/53/21/952745321.db2.gz XHOZOLWUYSFVGW-NSHDSACASA-N -1 1 380.416 0.150 20 0 GCADMM CN(C(=O)c1cn2c(n1)CCC2)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162651 952745325 /nfs/dbraw/zinc/74/53/25/952745325.db2.gz XHOZOLWUYSFVGW-NSHDSACASA-N -1 1 380.416 0.150 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cncnc1 ZINC001571162699 952746076 /nfs/dbraw/zinc/74/60/76/952746076.db2.gz XYNMEYSONGQWLB-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cncnc1 ZINC001571162699 952746081 /nfs/dbraw/zinc/74/60/81/952746081.db2.gz XYNMEYSONGQWLB-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccncn1 ZINC001571162781 952746176 /nfs/dbraw/zinc/74/61/76/952746176.db2.gz ZXKHFEKEGYSTCN-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccncn1 ZINC001571162781 952746179 /nfs/dbraw/zinc/74/61/79/952746179.db2.gz ZXKHFEKEGYSTCN-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162712 952746287 /nfs/dbraw/zinc/74/62/87/952746287.db2.gz YCNLVEJVUGMNEA-DGCLKSJQSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)c1 ZINC001571165120 952747667 /nfs/dbraw/zinc/74/76/67/952747667.db2.gz CIFOVDNBGKOMSB-AGIUHOORSA-N -1 1 380.416 0.088 20 0 GCADMM Cc1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)c1 ZINC001571165120 952747671 /nfs/dbraw/zinc/74/76/71/952747671.db2.gz CIFOVDNBGKOMSB-AGIUHOORSA-N -1 1 380.416 0.088 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571165169 952748528 /nfs/dbraw/zinc/74/85/28/952748528.db2.gz DUOVXDUHPSEXFC-ZDUSSCGKSA-N -1 1 380.416 0.400 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571165169 952748532 /nfs/dbraw/zinc/74/85/32/952748532.db2.gz DUOVXDUHPSEXFC-ZDUSSCGKSA-N -1 1 380.416 0.400 20 0 GCADMM O=C([C@@H]1CCc2c[nH]nc2C1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165216 952748808 /nfs/dbraw/zinc/74/88/08/952748808.db2.gz GHGAEODAHFWNCC-ZYHUDNBSSA-N -1 1 380.416 0.198 20 0 GCADMM O=C([C@@H]1CCc2c[nH]nc2C1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165216 952748809 /nfs/dbraw/zinc/74/88/09/952748809.db2.gz GHGAEODAHFWNCC-ZYHUDNBSSA-N -1 1 380.416 0.198 20 0 GCADMM Cc1nnccc1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571165188 952748873 /nfs/dbraw/zinc/74/88/73/952748873.db2.gz FHIAHARKKZIMCA-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1nnccc1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571165188 952748874 /nfs/dbraw/zinc/74/88/74/952748874.db2.gz FHIAHARKKZIMCA-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571165457 952750471 /nfs/dbraw/zinc/75/04/71/952750471.db2.gz HGHQRWJTUUBZMG-GUYCJALGSA-N -1 1 380.416 0.240 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571165457 952750476 /nfs/dbraw/zinc/75/04/76/952750476.db2.gz HGHQRWJTUUBZMG-GUYCJALGSA-N -1 1 380.416 0.240 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165514 952751732 /nfs/dbraw/zinc/75/17/32/952751732.db2.gz ITGUQJVKFHNFOL-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165514 952751733 /nfs/dbraw/zinc/75/17/33/952751733.db2.gz ITGUQJVKFHNFOL-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C([C@H]1CCc2nccn2C1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571165522 952751746 /nfs/dbraw/zinc/75/17/46/952751746.db2.gz IYODWZIKYAWASC-RYUDHWBXSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@H]1CCc2nccn2C1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571165522 952751749 /nfs/dbraw/zinc/75/17/49/952751749.db2.gz IYODWZIKYAWASC-RYUDHWBXSA-N -1 1 380.416 0.129 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571165773 952754450 /nfs/dbraw/zinc/75/44/50/952754450.db2.gz KARRGMPNJBQHDA-ZIAGYGMSSA-N -1 1 380.416 0.274 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571165773 952754461 /nfs/dbraw/zinc/75/44/61/952754461.db2.gz KARRGMPNJBQHDA-ZIAGYGMSSA-N -1 1 380.416 0.274 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccnnc1 ZINC001571165765 952754662 /nfs/dbraw/zinc/75/46/62/952754662.db2.gz JZANIYVHYRZRFX-DGCLKSJQSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccnnc1 ZINC001571165765 952754667 /nfs/dbraw/zinc/75/46/67/952754667.db2.gz JZANIYVHYRZRFX-DGCLKSJQSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)c1ccn[nH]1 ZINC001571165782 952755248 /nfs/dbraw/zinc/75/52/48/952755248.db2.gz KLZXHBIBGQXMAB-ZSBIGDGJSA-N -1 1 380.416 0.557 20 0 GCADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)c1ccn[nH]1 ZINC001571165782 952755252 /nfs/dbraw/zinc/75/52/52/952755252.db2.gz KLZXHBIBGQXMAB-ZSBIGDGJSA-N -1 1 380.416 0.557 20 0 GCADMM O=C(NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1cnn2c1CCC2 ZINC001571165834 952755802 /nfs/dbraw/zinc/75/58/02/952755802.db2.gz LVQKWQXPMRIFPG-UHFFFAOYSA-N -1 1 380.416 0.420 20 0 GCADMM O=C(NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1cnn2c1CCC2 ZINC001571165834 952755805 /nfs/dbraw/zinc/75/58/05/952755805.db2.gz LVQKWQXPMRIFPG-UHFFFAOYSA-N -1 1 380.416 0.420 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cn2c(n1)CCC2 ZINC001571166073 952756910 /nfs/dbraw/zinc/75/69/10/952756910.db2.gz NBIXBHUCVYURBM-LLVKDONJSA-N -1 1 380.416 0.056 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cn2c(n1)CCC2 ZINC001571166073 952756912 /nfs/dbraw/zinc/75/69/12/952756912.db2.gz NBIXBHUCVYURBM-LLVKDONJSA-N -1 1 380.416 0.056 20 0 GCADMM O=C(CCc1cncnc1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165995 952757212 /nfs/dbraw/zinc/75/72/12/952757212.db2.gz MKMLFKRDZNKPHZ-ZDUSSCGKSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(CCc1cncnc1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165995 952757215 /nfs/dbraw/zinc/75/72/15/952757215.db2.gz MKMLFKRDZNKPHZ-ZDUSSCGKSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccnnc1 ZINC001571166201 952759848 /nfs/dbraw/zinc/75/98/48/952759848.db2.gz PYFGABRIBURXKJ-ZDUSSCGKSA-N -1 1 380.416 0.626 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccnnc1 ZINC001571166201 952759852 /nfs/dbraw/zinc/75/98/52/952759852.db2.gz PYFGABRIBURXKJ-ZDUSSCGKSA-N -1 1 380.416 0.626 20 0 GCADMM O=C([C@H]1CCc2nccn2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166353 952760561 /nfs/dbraw/zinc/76/05/61/952760561.db2.gz QZAGPQHDTKPWFR-NWDGAFQWSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@H]1CCc2nccn2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166353 952760564 /nfs/dbraw/zinc/76/05/64/952760564.db2.gz QZAGPQHDTKPWFR-NWDGAFQWSA-N -1 1 380.416 0.129 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccnn1C1CCC1 ZINC001571166433 952761620 /nfs/dbraw/zinc/76/16/20/952761620.db2.gz RMWLERFKJZFUGZ-PHIMTYICSA-N -1 1 380.416 0.951 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccnn1C1CCC1 ZINC001571166433 952761627 /nfs/dbraw/zinc/76/16/27/952761627.db2.gz RMWLERFKJZFUGZ-PHIMTYICSA-N -1 1 380.416 0.951 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166486 952761937 /nfs/dbraw/zinc/76/19/37/952761937.db2.gz SPHYJIUEBZRPNG-QGZVFWFLSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166486 952761939 /nfs/dbraw/zinc/76/19/39/952761939.db2.gz SPHYJIUEBZRPNG-QGZVFWFLSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166463 952761982 /nfs/dbraw/zinc/76/19/82/952761982.db2.gz RYRWOIBMPXAYGJ-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166463 952761986 /nfs/dbraw/zinc/76/19/86/952761986.db2.gz RYRWOIBMPXAYGJ-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cn1nccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571166461 952762235 /nfs/dbraw/zinc/76/22/35/952762235.db2.gz RYBUHZZOBWLBGC-TXEJJXNPSA-N -1 1 380.416 0.274 20 0 GCADMM Cn1nccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571166461 952762239 /nfs/dbraw/zinc/76/22/39/952762239.db2.gz RYBUHZZOBWLBGC-TXEJJXNPSA-N -1 1 380.416 0.274 20 0 GCADMM O=C(Cn1cccn1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571166633 952762635 /nfs/dbraw/zinc/76/26/35/952762635.db2.gz UHUWQMPSTQNWTN-SJCJKPOMSA-N -1 1 380.416 0.029 20 0 GCADMM O=C(Cn1cccn1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571166633 952762637 /nfs/dbraw/zinc/76/26/37/952762637.db2.gz UHUWQMPSTQNWTN-SJCJKPOMSA-N -1 1 380.416 0.029 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571166635 952763162 /nfs/dbraw/zinc/76/31/62/952763162.db2.gz UJPMYXLSYAQFSC-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571166635 952763167 /nfs/dbraw/zinc/76/31/67/952763167.db2.gz UJPMYXLSYAQFSC-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM O=C(c1cnc2n1CCCC2)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571166726 952763887 /nfs/dbraw/zinc/76/38/87/952763887.db2.gz PAUFAOFCGOQAHZ-NSHDSACASA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cnc2n1CCCC2)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571166726 952763894 /nfs/dbraw/zinc/76/38/94/952763894.db2.gz PAUFAOFCGOQAHZ-NSHDSACASA-N -1 1 380.416 0.516 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)cn1 ZINC001571166755 952764069 /nfs/dbraw/zinc/76/40/69/952764069.db2.gz VKGPEFSDHDAFIP-GFCCVEGCSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)cn1 ZINC001571166755 952764079 /nfs/dbraw/zinc/76/40/79/952764079.db2.gz VKGPEFSDHDAFIP-GFCCVEGCSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1nccc1C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166831 952764947 /nfs/dbraw/zinc/76/49/47/952764947.db2.gz XGHJJPMJKBPVBK-CYBMUJFWSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1nccc1C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166831 952764952 /nfs/dbraw/zinc/76/49/52/952764952.db2.gz XGHJJPMJKBPVBK-CYBMUJFWSA-N -1 1 380.416 0.179 20 0 GCADMM Cc1nnccc1C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166819 952765748 /nfs/dbraw/zinc/76/57/48/952765748.db2.gz WMZYRZSZJRVRTF-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nnccc1C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166819 952765751 /nfs/dbraw/zinc/76/57/51/952765751.db2.gz WMZYRZSZJRVRTF-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cn1nccc1C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571166965 952768153 /nfs/dbraw/zinc/76/81/53/952768153.db2.gz ZNRNLQZFRLJOAL-WCQYABFASA-N -1 1 380.416 0.131 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC45CC5)[C@@H]3C2)n1 ZINC001571167078 952769342 /nfs/dbraw/zinc/76/93/42/952769342.db2.gz VBLLCTGMTJRKNP-FVCCEPFGSA-N -1 1 380.456 0.818 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC45CC5)[C@@H]3C2)n1 ZINC001571167078 952769348 /nfs/dbraw/zinc/76/93/48/952769348.db2.gz VBLLCTGMTJRKNP-FVCCEPFGSA-N -1 1 380.456 0.818 20 0 GCADMM CC1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001571169955 952780419 /nfs/dbraw/zinc/78/04/19/952780419.db2.gz AKTJTIIYWOGZNI-UHFFFAOYSA-N -1 1 381.400 0.546 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571169964 952781740 /nfs/dbraw/zinc/78/17/40/952781740.db2.gz AQFMRZFFMQLNJX-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571169964 952781743 /nfs/dbraw/zinc/78/17/43/952781743.db2.gz AQFMRZFFMQLNJX-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM CCN(C(=O)c1ccc(=O)[nH]c1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571170186 952783572 /nfs/dbraw/zinc/78/35/72/952783572.db2.gz FRBFQNBYGBNRFV-LBPRGKRZSA-N -1 1 381.400 0.498 20 0 GCADMM CCN(C(=O)c1ccc(=O)[nH]c1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571170186 952783575 /nfs/dbraw/zinc/78/35/75/952783575.db2.gz FRBFQNBYGBNRFV-LBPRGKRZSA-N -1 1 381.400 0.498 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1coc(C2CC2)n1 ZINC001571170415 952785907 /nfs/dbraw/zinc/78/59/07/952785907.db2.gz JCLPNMMMQKZCIS-KOLCDFICSA-N -1 1 381.400 0.659 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571170834 952789613 /nfs/dbraw/zinc/78/96/13/952789613.db2.gz MGCBWAVHQQGUSU-PHIMTYICSA-N -1 1 381.400 0.693 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571170834 952789619 /nfs/dbraw/zinc/78/96/19/952789619.db2.gz MGCBWAVHQQGUSU-PHIMTYICSA-N -1 1 381.400 0.693 20 0 GCADMM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571171054 952790311 /nfs/dbraw/zinc/79/03/11/952790311.db2.gz MPYYVBQMORIDBH-GHMZBOCLSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571171054 952790314 /nfs/dbraw/zinc/79/03/14/952790314.db2.gz MPYYVBQMORIDBH-GHMZBOCLSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571171040 952790686 /nfs/dbraw/zinc/79/06/86/952790686.db2.gz MJBLRCSWPBZGIZ-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571171040 952790691 /nfs/dbraw/zinc/79/06/91/952790691.db2.gz MJBLRCSWPBZGIZ-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nn[nH]n2)cn1 ZINC001571171046 952791019 /nfs/dbraw/zinc/79/10/19/952791019.db2.gz MLUCFEBIIUUYNS-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM O=C(c1cncc(F)c1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571171254 952791925 /nfs/dbraw/zinc/79/19/25/952791925.db2.gz QHGUYZXQZUXYBN-TXEJJXNPSA-N -1 1 381.375 0.399 20 0 GCADMM O=C(c1cncc(F)c1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571171254 952791927 /nfs/dbraw/zinc/79/19/27/952791927.db2.gz QHGUYZXQZUXYBN-TXEJJXNPSA-N -1 1 381.375 0.399 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C2CC2)on1 ZINC001571171620 952795401 /nfs/dbraw/zinc/79/54/01/952795401.db2.gz UCYJKJCBAHWRRG-MWLCHTKSSA-N -1 1 381.400 0.659 20 0 GCADMM CC1(C)CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171662 952796213 /nfs/dbraw/zinc/79/62/13/952796213.db2.gz VMLDAIDKNJOOSW-NSHDSACASA-N -1 1 381.400 0.720 20 0 GCADMM CC1(C)CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571171662 952796218 /nfs/dbraw/zinc/79/62/18/952796218.db2.gz VMLDAIDKNJOOSW-NSHDSACASA-N -1 1 381.400 0.720 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571171748 952797404 /nfs/dbraw/zinc/79/74/04/952797404.db2.gz FUPWIZSPIOEXGU-ZCFIWIBFSA-N -1 1 380.825 0.730 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)[C@@H]1C[C@H]1C1CC1 ZINC001571172315 952805868 /nfs/dbraw/zinc/80/58/68/952805868.db2.gz SMGYAUOZLAFJBJ-MAWWUMEMSA-N -1 1 380.456 0.964 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571174563 952809692 /nfs/dbraw/zinc/80/96/92/952809692.db2.gz AIZUFFURFDMWTM-KOLCDFICSA-N -1 1 381.400 0.919 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571174563 952809694 /nfs/dbraw/zinc/80/96/94/952809694.db2.gz AIZUFFURFDMWTM-KOLCDFICSA-N -1 1 381.400 0.919 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CN(C(=O)c4cnco4)CC[C@@H]32)n1 ZINC001571174588 952810684 /nfs/dbraw/zinc/81/06/84/952810684.db2.gz BEFCUJWGQUDHCP-AAEUAGOBSA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CN(C(=O)c4cnco4)CC[C@@H]32)n1 ZINC001571174588 952810693 /nfs/dbraw/zinc/81/06/93/952810693.db2.gz BEFCUJWGQUDHCP-AAEUAGOBSA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)n1 ZINC001571174605 952811688 /nfs/dbraw/zinc/81/16/88/952811688.db2.gz BQXCCLDMBGNUDU-NSHDSACASA-N -1 1 381.400 0.701 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)n1 ZINC001571174605 952811693 /nfs/dbraw/zinc/81/16/93/952811693.db2.gz BQXCCLDMBGNUDU-NSHDSACASA-N -1 1 381.400 0.701 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nn2)CC3)no1 ZINC001571174633 952811755 /nfs/dbraw/zinc/81/17/55/952811755.db2.gz CIOHOCLIKKZINX-CYBMUJFWSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nn2)CC3)no1 ZINC001571174633 952811763 /nfs/dbraw/zinc/81/17/63/952811763.db2.gz CIOHOCLIKKZINX-CYBMUJFWSA-N -1 1 381.400 0.742 20 0 GCADMM COCc1cncc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571174658 952812568 /nfs/dbraw/zinc/81/25/68/952812568.db2.gz DMRWSUFOSPBWBK-ZDUSSCGKSA-N -1 1 381.400 0.207 20 0 GCADMM COCc1cncc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571174658 952812574 /nfs/dbraw/zinc/81/25/74/952812574.db2.gz DMRWSUFOSPBWBK-ZDUSSCGKSA-N -1 1 381.400 0.207 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)ccn1 ZINC001571174675 952813084 /nfs/dbraw/zinc/81/30/84/952813084.db2.gz DZPLQDQDKFYFII-GFCCVEGCSA-N -1 1 381.400 0.411 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)ccn1 ZINC001571174675 952813090 /nfs/dbraw/zinc/81/30/90/952813090.db2.gz DZPLQDQDKFYFII-GFCCVEGCSA-N -1 1 381.400 0.411 20 0 GCADMM COc1cc(C)cnc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571174762 952814173 /nfs/dbraw/zinc/81/41/73/952814173.db2.gz HOSZMSBVNKNPKU-NSHDSACASA-N -1 1 381.400 0.695 20 0 GCADMM COc1cc(C)cnc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571174762 952814179 /nfs/dbraw/zinc/81/41/79/952814179.db2.gz HOSZMSBVNKNPKU-NSHDSACASA-N -1 1 381.400 0.695 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)no1 ZINC001571174801 952814221 /nfs/dbraw/zinc/81/42/21/952814221.db2.gz INOLPJMXCBLRHB-SRVKXCTJSA-N -1 1 381.400 0.740 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(CNC(=O)c3cc[nH]c(=O)c3)C2)n1 ZINC001571174807 952814524 /nfs/dbraw/zinc/81/45/24/952814524.db2.gz IQRLDMMJCSVZHH-UHFFFAOYSA-N -1 1 381.400 0.686 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(CNC(=O)c3cc[nH]c(=O)c3)C2)n1 ZINC001571174807 952814530 /nfs/dbraw/zinc/81/45/30/952814530.db2.gz IQRLDMMJCSVZHH-UHFFFAOYSA-N -1 1 381.400 0.686 20 0 GCADMM COc1cccc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571174851 952815084 /nfs/dbraw/zinc/81/50/84/952815084.db2.gz KGKYRQLBBGFELS-LLVKDONJSA-N -1 1 381.400 0.635 20 0 GCADMM COc1cccc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571174851 952815092 /nfs/dbraw/zinc/81/50/92/952815092.db2.gz KGKYRQLBBGFELS-LLVKDONJSA-N -1 1 381.400 0.635 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ncoc2C2CC2)C1 ZINC001571174913 952817361 /nfs/dbraw/zinc/81/73/61/952817361.db2.gz MRVWEQJSXCWJGP-LLVKDONJSA-N -1 1 381.400 0.873 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ncoc2C2CC2)C1 ZINC001571174913 952817367 /nfs/dbraw/zinc/81/73/67/952817367.db2.gz MRVWEQJSXCWJGP-LLVKDONJSA-N -1 1 381.400 0.873 20 0 GCADMM COc1ccnc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571175106 952817710 /nfs/dbraw/zinc/81/77/10/952817710.db2.gz POSBJCVEMWLTGM-LLVKDONJSA-N -1 1 381.400 0.199 20 0 GCADMM COc1cccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)n1 ZINC001571175108 952818505 /nfs/dbraw/zinc/81/85/05/952818505.db2.gz POYSAMQYVZFDPJ-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)n1 ZINC001571175108 952818512 /nfs/dbraw/zinc/81/85/12/952818512.db2.gz POYSAMQYVZFDPJ-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)n1 ZINC001571175113 952818642 /nfs/dbraw/zinc/81/86/42/952818642.db2.gz PRVZBCBNQOETBU-ZWNOBZJWSA-N -1 1 381.400 0.315 20 0 GCADMM COc1cccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC001571175113 952818647 /nfs/dbraw/zinc/81/86/47/952818647.db2.gz PRVZBCBNQOETBU-ZWNOBZJWSA-N -1 1 381.400 0.315 20 0 GCADMM COc1ncccc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571175267 952819892 /nfs/dbraw/zinc/81/98/92/952819892.db2.gz RHQVELVIILEGSU-JQWIXIFHSA-N -1 1 381.400 0.633 20 0 GCADMM COc1ncccc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571175267 952819896 /nfs/dbraw/zinc/81/98/96/952819896.db2.gz RHQVELVIILEGSU-JQWIXIFHSA-N -1 1 381.400 0.633 20 0 GCADMM COc1nc(C)ccc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571175284 952819943 /nfs/dbraw/zinc/81/99/43/952819943.db2.gz RQXAIMZQOIDTGY-PHIMTYICSA-N -1 1 381.400 0.742 20 0 GCADMM COc1nc(C)ccc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571175284 952819945 /nfs/dbraw/zinc/81/99/45/952819945.db2.gz RQXAIMZQOIDTGY-PHIMTYICSA-N -1 1 381.400 0.742 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1)c1ccon1 ZINC001571175354 952820908 /nfs/dbraw/zinc/82/09/08/952820908.db2.gz BDFGDHWHGXGNPS-SDDRHHMPSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(Cc1cnoc1)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571175382 952821014 /nfs/dbraw/zinc/82/10/14/952821014.db2.gz BQIWESAQIHKWOG-BETUJISGSA-N -1 1 381.400 0.457 20 0 GCADMM O=C(Cc1cnoc1)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571175382 952821020 /nfs/dbraw/zinc/82/10/20/952821020.db2.gz BQIWESAQIHKWOG-BETUJISGSA-N -1 1 381.400 0.457 20 0 GCADMM COc1ncccc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571175396 952821515 /nfs/dbraw/zinc/82/15/15/952821515.db2.gz UPQOGOUIKGBOBY-NSHDSACASA-N -1 1 381.400 0.317 20 0 GCADMM COc1ncccc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571175396 952821519 /nfs/dbraw/zinc/82/15/19/952821519.db2.gz UPQOGOUIKGBOBY-NSHDSACASA-N -1 1 381.400 0.317 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(=O)[nH]1 ZINC001571175607 952823211 /nfs/dbraw/zinc/82/32/11/952823211.db2.gz WXTLBNOGVGZTRE-LLVKDONJSA-N -1 1 381.400 0.465 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(=O)[nH]1 ZINC001571175607 952823216 /nfs/dbraw/zinc/82/32/16/952823216.db2.gz WXTLBNOGVGZTRE-LLVKDONJSA-N -1 1 381.400 0.465 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)no1 ZINC001571175612 952823985 /nfs/dbraw/zinc/82/39/85/952823985.db2.gz XDVURDQVYQWRHV-WCQYABFASA-N -1 1 381.400 0.694 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1coc(C2CCC2)n1 ZINC001571175715 952825068 /nfs/dbraw/zinc/82/50/68/952825068.db2.gz FVEGATMXYBQYAB-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1coc(C2CCC2)n1 ZINC001571175715 952825074 /nfs/dbraw/zinc/82/50/74/952825074.db2.gz FVEGATMXYBQYAB-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM Cc1nc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c(C)o1 ZINC001571175735 952825126 /nfs/dbraw/zinc/82/51/26/952825126.db2.gz GTADHRDLVWFXBD-CNDDSTCGSA-N -1 1 381.400 0.374 20 0 GCADMM Cc1nc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c(C)o1 ZINC001571175735 952825131 /nfs/dbraw/zinc/82/51/31/952825131.db2.gz GTADHRDLVWFXBD-CNDDSTCGSA-N -1 1 381.400 0.374 20 0 GCADMM Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571176095 952827852 /nfs/dbraw/zinc/82/78/52/952827852.db2.gz KVLGLXQGAVWQSE-UTUOFQBUSA-N -1 1 381.400 0.801 20 0 GCADMM Cc1ocnc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571176162 952829002 /nfs/dbraw/zinc/82/90/02/952829002.db2.gz MXHQKGZIRVZFSF-DIFFPNOSSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1ocnc1C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571176177 952829901 /nfs/dbraw/zinc/82/99/01/952829901.db2.gz NMRWYVQGINTGSP-GTNSWQLSSA-N -1 1 381.400 0.742 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cnc(C2CC2)o1 ZINC001571176292 952829968 /nfs/dbraw/zinc/82/99/68/952829968.db2.gz OEENJTLZTUZGBK-UHFFFAOYSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cnc(C2CC2)o1 ZINC001571176292 952829972 /nfs/dbraw/zinc/82/99/72/952829972.db2.gz OEENJTLZTUZGBK-UHFFFAOYSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(Cc1ccon1)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571176400 952831893 /nfs/dbraw/zinc/83/18/93/952831893.db2.gz RCWSTABHWNUHGT-QWHCGFSZSA-N -1 1 381.400 0.727 20 0 GCADMM O=C(Cc1ccon1)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571176400 952831904 /nfs/dbraw/zinc/83/19/04/952831904.db2.gz RCWSTABHWNUHGT-QWHCGFSZSA-N -1 1 381.400 0.727 20 0 GCADMM O=C(CCc1ccon1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571176469 952832569 /nfs/dbraw/zinc/83/25/69/952832569.db2.gz RFFVQXMMRPVGCE-TXEJJXNPSA-N -1 1 381.400 0.172 20 0 GCADMM O=C(CCc1ccon1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571176469 952832576 /nfs/dbraw/zinc/83/25/76/952832576.db2.gz RFFVQXMMRPVGCE-TXEJJXNPSA-N -1 1 381.400 0.172 20 0 GCADMM O=C(N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001571176559 952833299 /nfs/dbraw/zinc/83/32/99/952833299.db2.gz UVSGRDLPEMXANX-CMPLNLGQSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cc[nH]c(=O)c1 ZINC001571176559 952833305 /nfs/dbraw/zinc/83/33/05/952833305.db2.gz UVSGRDLPEMXANX-CMPLNLGQSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(CCc1ccc(=O)[nH]c1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571176919 952836078 /nfs/dbraw/zinc/83/60/78/952836078.db2.gz ZSFNJEHPBSOWPO-GFCCVEGCSA-N -1 1 381.400 0.403 20 0 GCADMM O=C(CCc1ccc(=O)[nH]c1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571176919 952836087 /nfs/dbraw/zinc/83/60/87/952836087.db2.gz ZSFNJEHPBSOWPO-GFCCVEGCSA-N -1 1 381.400 0.403 20 0 GCADMM O=C(c1cnco1)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571178231 952837294 /nfs/dbraw/zinc/83/72/94/952837294.db2.gz CAIQPTGGGVCNNW-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(c1cnco1)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571178231 952837301 /nfs/dbraw/zinc/83/73/01/952837301.db2.gz CAIQPTGGGVCNNW-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(c1ccccn1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178347 952838977 /nfs/dbraw/zinc/83/89/77/952838977.db2.gz GHLLKIPLISDTAH-GFCCVEGCSA-N -1 1 381.400 0.395 20 0 GCADMM O=C(c1ccccn1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178347 952838982 /nfs/dbraw/zinc/83/89/82/952838982.db2.gz GHLLKIPLISDTAH-GFCCVEGCSA-N -1 1 381.400 0.395 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2ccn(C)c2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571184626 952895012 /nfs/dbraw/zinc/89/50/12/952895012.db2.gz BPXJIXZTSZGAAY-ZDUSSCGKSA-N -1 1 381.444 0.984 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2ccn(C)c2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571184626 952895017 /nfs/dbraw/zinc/89/50/17/952895017.db2.gz BPXJIXZTSZGAAY-ZDUSSCGKSA-N -1 1 381.444 0.984 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)CCn1cccc1)c1cncc(-c2nnn[n-]2)n1 ZINC001571184589 952895140 /nfs/dbraw/zinc/89/51/40/952895140.db2.gz AQHNVUJCXPPEMD-AWEZNQCLSA-N -1 1 381.444 0.976 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)CCn1cccc1)c1cncc(-c2nn[n-]n2)n1 ZINC001571184589 952895144 /nfs/dbraw/zinc/89/51/44/952895144.db2.gz AQHNVUJCXPPEMD-AWEZNQCLSA-N -1 1 381.444 0.976 20 0 GCADMM Cc1c[nH]cc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571186658 952909510 /nfs/dbraw/zinc/90/95/10/952909510.db2.gz ZJECGZACLLMEQM-QWHCGFSZSA-N -1 1 381.444 0.925 20 0 GCADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571190087 952939536 /nfs/dbraw/zinc/93/95/36/952939536.db2.gz FBOHVHZSCJECQG-RBXMUDONSA-N -1 1 381.849 0.564 20 0 GCADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571190087 952939539 /nfs/dbraw/zinc/93/95/39/952939539.db2.gz FBOHVHZSCJECQG-RBXMUDONSA-N -1 1 381.849 0.564 20 0 GCADMM O=C(N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1)[C@]12C[C@H]1COC2 ZINC001571190755 952942777 /nfs/dbraw/zinc/94/27/77/952942777.db2.gz LCRYALOIZDJEKU-RTHLEPHNSA-N -1 1 381.849 0.662 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc[nH]c1=O ZINC001571193769 952952468 /nfs/dbraw/zinc/95/24/68/952952468.db2.gz BVKHUAQJZFDCEL-ZJUUUORDSA-N -1 1 382.388 0.258 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)cc(-c2nn[n-]n2)n1 ZINC001571193834 952953419 /nfs/dbraw/zinc/95/34/19/952953419.db2.gz DVEIWPYNYXDDAZ-VIFPVBQESA-N -1 1 382.388 0.041 20 0 GCADMM COc1ncc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001571193829 952953563 /nfs/dbraw/zinc/95/35/63/952953563.db2.gz DPOMFXIIJJDSGX-LLVKDONJSA-N -1 1 382.388 0.172 20 0 GCADMM COc1ncc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001571193829 952953566 /nfs/dbraw/zinc/95/35/66/952953566.db2.gz DPOMFXIIJJDSGX-LLVKDONJSA-N -1 1 382.388 0.172 20 0 GCADMM COc1ncc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001571193830 952953697 /nfs/dbraw/zinc/95/36/97/952953697.db2.gz DPOMFXIIJJDSGX-NSHDSACASA-N -1 1 382.388 0.172 20 0 GCADMM COc1ncc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001571193830 952953705 /nfs/dbraw/zinc/95/37/05/952953705.db2.gz DPOMFXIIJJDSGX-NSHDSACASA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571194044 952956760 /nfs/dbraw/zinc/95/67/60/952956760.db2.gz HMOBJANFSLGYCI-SKDRFNHKSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cncc(C(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571194044 952956763 /nfs/dbraw/zinc/95/67/63/952956763.db2.gz HMOBJANFSLGYCI-SKDRFNHKSA-N -1 1 382.388 0.028 20 0 GCADMM Cc1n[nH]c(=O)c(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571194023 952957145 /nfs/dbraw/zinc/95/71/45/952957145.db2.gz HJUUGQYAZQRHLJ-AOOOYVTPSA-N -1 1 382.388 0.142 20 0 GCADMM Cc1n[nH]c(=O)c(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571194023 952957149 /nfs/dbraw/zinc/95/71/49/952957149.db2.gz HJUUGQYAZQRHLJ-AOOOYVTPSA-N -1 1 382.388 0.142 20 0 GCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H](O)C(=O)OCc1ccccc1 ZINC001571194177 952958870 /nfs/dbraw/zinc/95/88/70/952958870.db2.gz HSQQHTIBGWRHPE-HNNXBMFYSA-N -1 1 382.380 0.025 20 0 GCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H](O)C(=O)OCc1ccccc1 ZINC001571194177 952958873 /nfs/dbraw/zinc/95/88/73/952958873.db2.gz HSQQHTIBGWRHPE-HNNXBMFYSA-N -1 1 382.380 0.025 20 0 GCADMM COc1cc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571194259 952960628 /nfs/dbraw/zinc/96/06/28/952960628.db2.gz KRAKCKZSRAYTTH-MGCOHNPYSA-N -1 1 382.388 0.076 20 0 GCADMM COc1cc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571194259 952960631 /nfs/dbraw/zinc/96/06/31/952960631.db2.gz KRAKCKZSRAYTTH-MGCOHNPYSA-N -1 1 382.388 0.076 20 0 GCADMM COc1ccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)o1 ZINC001571194293 952960805 /nfs/dbraw/zinc/96/08/05/952960805.db2.gz JUYGDFKPZZDRIG-PHIMTYICSA-N -1 1 382.384 0.467 20 0 GCADMM COc1ccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)o1 ZINC001571194293 952960809 /nfs/dbraw/zinc/96/08/09/952960809.db2.gz JUYGDFKPZZDRIG-PHIMTYICSA-N -1 1 382.384 0.467 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571194607 952965440 /nfs/dbraw/zinc/96/54/40/952965440.db2.gz QBUREZHPQATNEP-JTQLQIEISA-N -1 1 382.388 0.117 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571194607 952965444 /nfs/dbraw/zinc/96/54/44/952965444.db2.gz QBUREZHPQATNEP-JTQLQIEISA-N -1 1 382.388 0.117 20 0 GCADMM COc1cnc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001571194715 952967041 /nfs/dbraw/zinc/96/70/41/952967041.db2.gz QNLAYDUOWKGNPQ-JOYOIKCWSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cnc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001571194715 952967044 /nfs/dbraw/zinc/96/70/44/952967044.db2.gz QNLAYDUOWKGNPQ-JOYOIKCWSA-N -1 1 382.388 0.028 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(=O)[nH]n1 ZINC001571194950 952970866 /nfs/dbraw/zinc/97/08/66/952970866.db2.gz VDNNMIPNJAGPEQ-UWVGGRQHSA-N -1 1 382.388 0.163 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(=O)[nH]n1 ZINC001571194950 952970871 /nfs/dbraw/zinc/97/08/71/952970871.db2.gz VDNNMIPNJAGPEQ-UWVGGRQHSA-N -1 1 382.388 0.163 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571204525 953030430 /nfs/dbraw/zinc/03/04/30/953030430.db2.gz ABVOERHFFHZYGV-LLVKDONJSA-N -1 1 382.432 0.445 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571204525 953030435 /nfs/dbraw/zinc/03/04/35/953030435.db2.gz ABVOERHFFHZYGV-LLVKDONJSA-N -1 1 382.432 0.445 20 0 GCADMM CCCc1n[nH]cc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571204552 953030468 /nfs/dbraw/zinc/03/04/68/953030468.db2.gz AUJDWABTOJVCQY-NSHDSACASA-N -1 1 382.432 0.683 20 0 GCADMM CCCc1n[nH]cc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571204552 953030473 /nfs/dbraw/zinc/03/04/73/953030473.db2.gz AUJDWABTOJVCQY-NSHDSACASA-N -1 1 382.432 0.683 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)[nH]n1 ZINC001571204607 953030853 /nfs/dbraw/zinc/03/08/53/953030853.db2.gz BMYUQNYWAIRHNQ-CMPLNLGQSA-N -1 1 382.432 0.730 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571204646 953031645 /nfs/dbraw/zinc/03/16/45/953031645.db2.gz ATUHPCIQXJIQDM-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571204646 953031648 /nfs/dbraw/zinc/03/16/48/953031648.db2.gz ATUHPCIQXJIQDM-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571204598 953031727 /nfs/dbraw/zinc/03/17/27/953031727.db2.gz BLADCBQFIAECGX-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571204598 953031730 /nfs/dbraw/zinc/03/17/30/953031730.db2.gz BLADCBQFIAECGX-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571204841 953032099 /nfs/dbraw/zinc/03/20/99/953032099.db2.gz CSCWTLXUFXVAMZ-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571204841 953032104 /nfs/dbraw/zinc/03/21/04/953032104.db2.gz CSCWTLXUFXVAMZ-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnn(C)c2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571204859 953033652 /nfs/dbraw/zinc/03/36/52/953033652.db2.gz DFSLSFZLTJZJGY-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnn(C)c2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571204859 953033656 /nfs/dbraw/zinc/03/36/56/953033656.db2.gz DFSLSFZLTJZJGY-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccn(C)n1 ZINC001571204913 953034087 /nfs/dbraw/zinc/03/40/87/953034087.db2.gz FRGHCKXWINAYQH-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001571204913 953034091 /nfs/dbraw/zinc/03/40/91/953034091.db2.gz FRGHCKXWINAYQH-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM CCc1nc(N[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571205125 953035976 /nfs/dbraw/zinc/03/59/76/953035976.db2.gz FVVAJCITNOCQIJ-MFKMUULPSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1nc(N[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571205125 953035981 /nfs/dbraw/zinc/03/59/81/953035981.db2.gz FVVAJCITNOCQIJ-MFKMUULPSA-N -1 1 382.432 0.525 20 0 GCADMM CCn1cc(C(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001571205154 953036411 /nfs/dbraw/zinc/03/64/11/953036411.db2.gz GRIZKJWXQFPDSJ-UHFFFAOYSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1cc(C(=O)N(C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001571205154 953036416 /nfs/dbraw/zinc/03/64/16/953036416.db2.gz GRIZKJWXQFPDSJ-UHFFFAOYSA-N -1 1 382.432 0.614 20 0 GCADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001571205186 953036446 /nfs/dbraw/zinc/03/64/46/953036446.db2.gz HCHIWQZZKXRTHC-UHFFFAOYSA-N -1 1 382.432 0.607 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571205220 953036851 /nfs/dbraw/zinc/03/68/51/953036851.db2.gz HZRMYOPEYCRQIL-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571205220 953036853 /nfs/dbraw/zinc/03/68/53/953036853.db2.gz HZRMYOPEYCRQIL-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571205197 953037260 /nfs/dbraw/zinc/03/72/60/953037260.db2.gz HGAMGSFMADIODM-KRWDZBQOSA-N -1 1 382.432 0.907 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cn3nccc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571205205 953037370 /nfs/dbraw/zinc/03/73/70/953037370.db2.gz HMFZIFDQZHWMND-GFCCVEGCSA-N -1 1 382.432 0.437 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cn3nccc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571205205 953037374 /nfs/dbraw/zinc/03/73/74/953037374.db2.gz HMFZIFDQZHWMND-GFCCVEGCSA-N -1 1 382.432 0.437 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571205215 953037432 /nfs/dbraw/zinc/03/74/32/953037432.db2.gz HQDPAVUHVOGXMX-LLVKDONJSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571205215 953037434 /nfs/dbraw/zinc/03/74/34/953037434.db2.gz HQDPAVUHVOGXMX-LLVKDONJSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205452 953038076 /nfs/dbraw/zinc/03/80/76/953038076.db2.gz JFWVUMTXQVBSHF-GHMZBOCLSA-N -1 1 382.432 0.905 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)n1 ZINC001571205498 953038932 /nfs/dbraw/zinc/03/89/32/953038932.db2.gz KHDMWOUDCGNBBK-IINYFYTJSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)n1 ZINC001571205498 953038934 /nfs/dbraw/zinc/03/89/34/953038934.db2.gz KHDMWOUDCGNBBK-IINYFYTJSA-N -1 1 382.432 0.754 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001571205467 953039051 /nfs/dbraw/zinc/03/90/51/953039051.db2.gz JMJXBRIBSRUBRQ-AAEUAGOBSA-N -1 1 382.432 0.978 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001571205467 953039052 /nfs/dbraw/zinc/03/90/52/953039052.db2.gz JMJXBRIBSRUBRQ-AAEUAGOBSA-N -1 1 382.432 0.978 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001571205509 953039082 /nfs/dbraw/zinc/03/90/82/953039082.db2.gz KSWICDUNJAICMI-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001571205509 953039085 /nfs/dbraw/zinc/03/90/85/953039085.db2.gz KSWICDUNJAICMI-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571205585 953039443 /nfs/dbraw/zinc/03/94/43/953039443.db2.gz LFZAOOLHRIMEFV-JOCQHMNTSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571205585 953039446 /nfs/dbraw/zinc/03/94/46/953039446.db2.gz LFZAOOLHRIMEFV-JOCQHMNTSA-N -1 1 382.432 0.736 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnn2C)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571205592 953039571 /nfs/dbraw/zinc/03/95/71/953039571.db2.gz LKKSOUJSIZSAEN-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnn2C)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571205592 953039573 /nfs/dbraw/zinc/03/95/73/953039573.db2.gz LKKSOUJSIZSAEN-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)c1cncn1C ZINC001571205604 953039794 /nfs/dbraw/zinc/03/97/94/953039794.db2.gz LOYVFLSYGJXZIR-AAEUAGOBSA-N -1 1 382.432 0.886 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)c1cncn1C ZINC001571205604 953039797 /nfs/dbraw/zinc/03/97/97/953039797.db2.gz LOYVFLSYGJXZIR-AAEUAGOBSA-N -1 1 382.432 0.886 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)c1cncn1C ZINC001571205608 953039804 /nfs/dbraw/zinc/03/98/04/953039804.db2.gz LOYVFLSYGJXZIR-YPMHNXCESA-N -1 1 382.432 0.886 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)c1cncn1C ZINC001571205608 953039807 /nfs/dbraw/zinc/03/98/07/953039807.db2.gz LOYVFLSYGJXZIR-YPMHNXCESA-N -1 1 382.432 0.886 20 0 GCADMM CCCc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571205615 953039813 /nfs/dbraw/zinc/03/98/13/953039813.db2.gz LQYPELDBWDMCPC-GFCCVEGCSA-N -1 1 382.432 0.683 20 0 GCADMM C[C@@H]1CN(C(=O)c2cncn2C)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205653 953040163 /nfs/dbraw/zinc/04/01/63/953040163.db2.gz MMVONTGYISVJJI-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2cncn2C)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205653 953040165 /nfs/dbraw/zinc/04/01/65/953040165.db2.gz MMVONTGYISVJJI-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571205634 953040625 /nfs/dbraw/zinc/04/06/25/953040625.db2.gz MHJSCVNYGWLBED-AAEUAGOBSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571205634 953040628 /nfs/dbraw/zinc/04/06/28/953040628.db2.gz MHJSCVNYGWLBED-AAEUAGOBSA-N -1 1 382.432 0.884 20 0 GCADMM CCc1nn(C)cc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205688 953041425 /nfs/dbraw/zinc/04/14/25/953041425.db2.gz MXWXRMUBBYNGNA-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM CCc1nn(C)cc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205688 953041428 /nfs/dbraw/zinc/04/14/28/953041428.db2.gz MXWXRMUBBYNGNA-XYPYZODXSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205808 953042771 /nfs/dbraw/zinc/04/27/71/953042771.db2.gz BHXYLFWCZUQKME-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205808 953042774 /nfs/dbraw/zinc/04/27/74/953042774.db2.gz BHXYLFWCZUQKME-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571205894 953043064 /nfs/dbraw/zinc/04/30/64/953043064.db2.gz NSHLEWHCRBXLSF-UHFFFAOYSA-N -1 1 382.432 0.907 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571205894 953043066 /nfs/dbraw/zinc/04/30/66/953043066.db2.gz NSHLEWHCRBXLSF-UHFFFAOYSA-N -1 1 382.432 0.907 20 0 GCADMM CCn1ccc(CC(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)n1 ZINC001571205836 953043800 /nfs/dbraw/zinc/04/38/00/953043800.db2.gz BQSCBCZYQRYFGR-ZDUSSCGKSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1ccc(CC(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)n1 ZINC001571205836 953043802 /nfs/dbraw/zinc/04/38/02/953043802.db2.gz BQSCBCZYQRYFGR-ZDUSSCGKSA-N -1 1 382.432 0.519 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2[nH]c(C)nc2C)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571205943 953044625 /nfs/dbraw/zinc/04/46/25/953044625.db2.gz OTYYMDHOGUDJPB-WCQYABFASA-N -1 1 382.432 0.784 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2[nH]c(C)nc2C)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571205943 953044628 /nfs/dbraw/zinc/04/46/28/953044628.db2.gz OTYYMDHOGUDJPB-WCQYABFASA-N -1 1 382.432 0.784 20 0 GCADMM CCc1c[nH]c(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205977 953044636 /nfs/dbraw/zinc/04/46/36/953044636.db2.gz PSAYQTALSZGOFB-LBPRGKRZSA-N -1 1 382.432 0.270 20 0 GCADMM CCc1cc(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)[nH]n1 ZINC001571205975 953045228 /nfs/dbraw/zinc/04/52/28/953045228.db2.gz PNDVZIWZCFKVLE-UHFFFAOYSA-N -1 1 382.432 0.589 20 0 GCADMM CCc1cc(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)[nH]n1 ZINC001571205975 953045230 /nfs/dbraw/zinc/04/52/30/953045230.db2.gz PNDVZIWZCFKVLE-UHFFFAOYSA-N -1 1 382.432 0.589 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206061 953045676 /nfs/dbraw/zinc/04/56/76/953045676.db2.gz CXAIJLYBBXBHBC-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cncn1C ZINC001571206084 953046783 /nfs/dbraw/zinc/04/67/83/953046783.db2.gz ROFZBYOFPGJDFU-RYUDHWBXSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cncn1C ZINC001571206084 953046786 /nfs/dbraw/zinc/04/67/86/953046786.db2.gz ROFZBYOFPGJDFU-RYUDHWBXSA-N -1 1 382.432 0.424 20 0 GCADMM CCc1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001571206169 953047977 /nfs/dbraw/zinc/04/79/77/953047977.db2.gz RYUFQPZINBLDFY-LBPRGKRZSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571206169 953047981 /nfs/dbraw/zinc/04/79/81/953047981.db2.gz RYUFQPZINBLDFY-LBPRGKRZSA-N -1 1 382.432 0.351 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001571206178 953048138 /nfs/dbraw/zinc/04/81/38/953048138.db2.gz MVCFQOUWSDYURX-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001571206178 953048143 /nfs/dbraw/zinc/04/81/43/953048143.db2.gz MVCFQOUWSDYURX-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571206203 953048196 /nfs/dbraw/zinc/04/81/96/953048196.db2.gz DYMARBXPJGXEGD-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571206203 953048198 /nfs/dbraw/zinc/04/81/98/953048198.db2.gz DYMARBXPJGXEGD-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM CCc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)n(C)n1 ZINC001571206165 953048409 /nfs/dbraw/zinc/04/84/09/953048409.db2.gz RYMZOEOGPZNEMF-ZYHUDNBSSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)n(C)n1 ZINC001571206165 953048412 /nfs/dbraw/zinc/04/84/12/953048412.db2.gz RYMZOEOGPZNEMF-ZYHUDNBSSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)CCc1ccnn1C ZINC001571206232 953048455 /nfs/dbraw/zinc/04/84/55/953048455.db2.gz SMHBBRRRFFRQJN-NWDGAFQWSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)CCc1ccnn1C ZINC001571206232 953048458 /nfs/dbraw/zinc/04/84/58/953048458.db2.gz SMHBBRRRFFRQJN-NWDGAFQWSA-N -1 1 382.432 0.424 20 0 GCADMM CCn1cc(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571206282 953048775 /nfs/dbraw/zinc/04/87/75/953048775.db2.gz FHVXLURUNDOSTM-GFCCVEGCSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1cc(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571206282 953048782 /nfs/dbraw/zinc/04/87/82/953048782.db2.gz FHVXLURUNDOSTM-GFCCVEGCSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001571206300 953048931 /nfs/dbraw/zinc/04/89/31/953048931.db2.gz FKYNDVWKGDDKCR-RYUDHWBXSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001571206300 953048936 /nfs/dbraw/zinc/04/89/36/953048936.db2.gz FKYNDVWKGDDKCR-RYUDHWBXSA-N -1 1 382.432 0.660 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001571206353 953049949 /nfs/dbraw/zinc/04/99/49/953049949.db2.gz OPWPZBOOBSCSCF-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001571206353 953049953 /nfs/dbraw/zinc/04/99/53/953049953.db2.gz OPWPZBOOBSCSCF-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571206321 953050029 /nfs/dbraw/zinc/05/00/29/953050029.db2.gz FNZJOKRKBHGDJO-GFCCVEGCSA-N -1 1 382.432 0.819 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571206321 953050032 /nfs/dbraw/zinc/05/00/32/953050032.db2.gz FNZJOKRKBHGDJO-GFCCVEGCSA-N -1 1 382.432 0.819 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](C)(NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206316 953050320 /nfs/dbraw/zinc/05/03/20/953050320.db2.gz SWYUUOKXRAFUQP-QGZVFWFLSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](C)(NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206316 953050323 /nfs/dbraw/zinc/05/03/23/953050323.db2.gz SWYUUOKXRAFUQP-QGZVFWFLSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cn(CC)cn3)C2)n1 ZINC001571206331 953050349 /nfs/dbraw/zinc/05/03/49/953050349.db2.gz UBDVITIAAPKEQT-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cn(CC)cn3)C2)n1 ZINC001571206331 953050352 /nfs/dbraw/zinc/05/03/52/953050352.db2.gz UBDVITIAAPKEQT-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)Cc3cnn(C)c3)C2)n1 ZINC001571206388 953050489 /nfs/dbraw/zinc/05/04/89/953050489.db2.gz GCGUSBYCHAHMII-CYBMUJFWSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)Cc3cnn(C)c3)C2)n1 ZINC001571206388 953050491 /nfs/dbraw/zinc/05/04/91/953050491.db2.gz GCGUSBYCHAHMII-CYBMUJFWSA-N -1 1 382.432 0.026 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206464 953051206 /nfs/dbraw/zinc/05/12/06/953051206.db2.gz UWZAYCFPUJNGPL-MNOVXSKESA-N -1 1 382.432 0.762 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206464 953051210 /nfs/dbraw/zinc/05/12/10/953051210.db2.gz UWZAYCFPUJNGPL-MNOVXSKESA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001571206472 953051331 /nfs/dbraw/zinc/05/13/31/953051331.db2.gz PYGGSKMDFQVRPM-CHWSQXEVSA-N -1 1 382.432 0.187 20 0 GCADMM CCCn1nccc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206550 953051995 /nfs/dbraw/zinc/05/19/95/953051995.db2.gz VHABKVGEQZZOSG-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCCn1nccc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206550 953052001 /nfs/dbraw/zinc/05/20/01/953052001.db2.gz VHABKVGEQZZOSG-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1ccnc1C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206501 953052055 /nfs/dbraw/zinc/05/20/55/953052055.db2.gz HNDCULRIHKGCHQ-LBPRGKRZSA-N -1 1 382.432 0.472 20 0 GCADMM CCn1ccnc1C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206501 953052059 /nfs/dbraw/zinc/05/20/59/953052059.db2.gz HNDCULRIHKGCHQ-LBPRGKRZSA-N -1 1 382.432 0.472 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571206612 953052572 /nfs/dbraw/zinc/05/25/72/953052572.db2.gz RUVDGIXKPYSPTJ-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571206612 953052575 /nfs/dbraw/zinc/05/25/75/953052575.db2.gz RUVDGIXKPYSPTJ-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571206561 953052644 /nfs/dbraw/zinc/05/26/44/953052644.db2.gz IGEUAOJGNOLMPZ-VXGBXAGGSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571206561 953052648 /nfs/dbraw/zinc/05/26/48/953052648.db2.gz IGEUAOJGNOLMPZ-VXGBXAGGSA-N -1 1 382.432 0.884 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206634 953053673 /nfs/dbraw/zinc/05/36/73/953053673.db2.gz VTRBSYRERVRXIA-QWRGUYRKSA-N -1 1 382.432 0.327 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206703 953053715 /nfs/dbraw/zinc/05/37/15/953053715.db2.gz JMNOTENQZIJNPD-HAQNSBGRSA-N -1 1 382.432 0.802 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206703 953053719 /nfs/dbraw/zinc/05/37/19/953053719.db2.gz JMNOTENQZIJNPD-HAQNSBGRSA-N -1 1 382.432 0.802 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206636 953053772 /nfs/dbraw/zinc/05/37/72/953053772.db2.gz VTRBSYRERVRXIA-WDEREUQCSA-N -1 1 382.432 0.327 20 0 GCADMM CCn1cc(C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001571206659 953053967 /nfs/dbraw/zinc/05/39/67/953053967.db2.gz VWNYDEPRTHMVOZ-UHFFFAOYSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1cc(C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001571206659 953053974 /nfs/dbraw/zinc/05/39/74/953053974.db2.gz VWNYDEPRTHMVOZ-UHFFFAOYSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571206645 953054000 /nfs/dbraw/zinc/05/40/00/953054000.db2.gz IWKFFOWONGLDLR-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571206645 953054003 /nfs/dbraw/zinc/05/40/03/953054003.db2.gz IWKFFOWONGLDLR-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CCc1n[nH]cc1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206678 953054266 /nfs/dbraw/zinc/05/42/66/953054266.db2.gz WJMNXGPJRLLPKL-LLVKDONJSA-N -1 1 382.432 0.589 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571206845 953055771 /nfs/dbraw/zinc/05/57/71/953055771.db2.gz XZBQTOSAXRYFRR-NEPJUHHUSA-N -1 1 382.432 0.115 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)cn1 ZINC001571206851 953055982 /nfs/dbraw/zinc/05/59/82/953055982.db2.gz XZBQTOSAXRYFRR-VXGBXAGGSA-N -1 1 382.432 0.115 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571206821 953056176 /nfs/dbraw/zinc/05/61/76/953056176.db2.gz KYEHFMPHRCSJSV-PWSUYJOCSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571206821 953056178 /nfs/dbraw/zinc/05/61/78/953056178.db2.gz KYEHFMPHRCSJSV-PWSUYJOCSA-N -1 1 382.432 0.580 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571207005 953058364 /nfs/dbraw/zinc/05/83/64/953058364.db2.gz ZOIUWUQRUGBXGG-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571207005 953058367 /nfs/dbraw/zinc/05/83/67/953058367.db2.gz ZOIUWUQRUGBXGG-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207107 953059178 /nfs/dbraw/zinc/05/91/78/953059178.db2.gz NGNMIWDLSPYNLN-GFCCVEGCSA-N -1 1 382.432 0.499 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207107 953059182 /nfs/dbraw/zinc/05/91/82/953059182.db2.gz NGNMIWDLSPYNLN-GFCCVEGCSA-N -1 1 382.432 0.499 20 0 GCADMM Cc1c(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cnn1C(C)C ZINC001571207112 953059225 /nfs/dbraw/zinc/05/92/25/953059225.db2.gz NIQLLNHJGXEPHB-HAQNSBGRSA-N -1 1 382.432 0.537 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571207241 953061342 /nfs/dbraw/zinc/06/13/42/953061342.db2.gz OYNJYDMKJNWLGT-GFCCVEGCSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571207241 953061347 /nfs/dbraw/zinc/06/13/47/953061347.db2.gz OYNJYDMKJNWLGT-GFCCVEGCSA-N -1 1 382.432 0.263 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001571207326 953061714 /nfs/dbraw/zinc/06/17/14/953061714.db2.gz QVYLHVURAMHSRL-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1n[nH]cc1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571207424 953062393 /nfs/dbraw/zinc/06/23/93/953062393.db2.gz RJONLUDGXHRSOR-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1n[nH]cc1C(=O)N(C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571207424 953062394 /nfs/dbraw/zinc/06/23/94/953062394.db2.gz RJONLUDGXHRSOR-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM CCn1nccc1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571207415 953062681 /nfs/dbraw/zinc/06/26/81/953062681.db2.gz RDVVPSXAQDLZNI-UHFFFAOYSA-N -1 1 382.432 0.402 20 0 GCADMM CCn1cc(CC(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571207426 953062750 /nfs/dbraw/zinc/06/27/50/953062750.db2.gz RKQZRVMIQUMWSP-ZDUSSCGKSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1cc(CC(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571207426 953062753 /nfs/dbraw/zinc/06/27/53/953062753.db2.gz RKQZRVMIQUMWSP-ZDUSSCGKSA-N -1 1 382.432 0.519 20 0 GCADMM O=C(C1=CCCC1)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571207364 953062906 /nfs/dbraw/zinc/06/29/06/953062906.db2.gz YQLJQWDLINZUJT-SFHVURJKSA-N -1 1 382.428 0.575 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571207444 953063415 /nfs/dbraw/zinc/06/34/15/953063415.db2.gz RRZFNUYDLVRJDT-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571207444 953063419 /nfs/dbraw/zinc/06/34/19/953063419.db2.gz RRZFNUYDLVRJDT-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571207468 953063508 /nfs/dbraw/zinc/06/35/08/953063508.db2.gz SDFWHEWTCJLMKM-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571207468 953063514 /nfs/dbraw/zinc/06/35/14/953063514.db2.gz SDFWHEWTCJLMKM-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571207436 953063623 /nfs/dbraw/zinc/06/36/23/953063623.db2.gz RPDJDOXNAHMYPQ-NEPJUHHUSA-N -1 1 382.432 0.258 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571207435 953063708 /nfs/dbraw/zinc/06/37/08/953063708.db2.gz RNYKXCOWEWRUSI-SMDDNHRTSA-N -1 1 382.432 0.375 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571207435 953063711 /nfs/dbraw/zinc/06/37/11/953063711.db2.gz RNYKXCOWEWRUSI-SMDDNHRTSA-N -1 1 382.432 0.375 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)c1C ZINC001571207492 953063831 /nfs/dbraw/zinc/06/38/31/953063831.db2.gz UNBUBPJYNAPXQJ-BXKDBHETSA-N -1 1 382.432 0.817 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)c1C ZINC001571207492 953063833 /nfs/dbraw/zinc/06/38/33/953063833.db2.gz UNBUBPJYNAPXQJ-BXKDBHETSA-N -1 1 382.432 0.817 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571207574 953064389 /nfs/dbraw/zinc/06/43/89/953064389.db2.gz XCFNNNIABLSELD-JQWIXIFHSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571207574 953064393 /nfs/dbraw/zinc/06/43/93/953064393.db2.gz XCFNNNIABLSELD-JQWIXIFHSA-N -1 1 382.432 0.899 20 0 GCADMM CCn1cnc(C(=O)N(C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571207558 953064478 /nfs/dbraw/zinc/06/44/78/953064478.db2.gz WQFHUISENIHKQK-UHFFFAOYSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1cnc(C(=O)N(C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571207558 953064481 /nfs/dbraw/zinc/06/44/81/953064481.db2.gz WQFHUISENIHKQK-UHFFFAOYSA-N -1 1 382.432 0.614 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571207573 953064575 /nfs/dbraw/zinc/06/45/75/953064575.db2.gz XCFNNNIABLSELD-CMPLNLGQSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571207573 953064577 /nfs/dbraw/zinc/06/45/77/953064577.db2.gz XCFNNNIABLSELD-CMPLNLGQSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H](C)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207589 953064785 /nfs/dbraw/zinc/06/47/85/953064785.db2.gz XLZFIOIAUDOBTJ-VXGBXAGGSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H](C)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207589 953064788 /nfs/dbraw/zinc/06/47/88/953064788.db2.gz XLZFIOIAUDOBTJ-VXGBXAGGSA-N -1 1 382.432 0.723 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1C ZINC001571207602 953065251 /nfs/dbraw/zinc/06/52/51/953065251.db2.gz XUHFHRVYLYHRGM-AAEUAGOBSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1C ZINC001571207602 953065254 /nfs/dbraw/zinc/06/52/54/953065254.db2.gz XUHFHRVYLYHRGM-AAEUAGOBSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cn1 ZINC001571207676 953066263 /nfs/dbraw/zinc/06/62/63/953066263.db2.gz ZOWQEKBLRJXNTC-WCQYABFASA-N -1 1 382.432 0.660 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cn1 ZINC001571207676 953066265 /nfs/dbraw/zinc/06/62/65/953066265.db2.gz ZOWQEKBLRJXNTC-WCQYABFASA-N -1 1 382.432 0.660 20 0 GCADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC001571209690 953066295 /nfs/dbraw/zinc/06/62/95/953066295.db2.gz BBFLOMIVOZECEY-JTQLQIEISA-N -1 1 382.446 0.908 20 0 GCADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC001571209690 953066298 /nfs/dbraw/zinc/06/62/98/953066298.db2.gz BBFLOMIVOZECEY-JTQLQIEISA-N -1 1 382.446 0.908 20 0 GCADMM Cn1nccc1C(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571209748 953066673 /nfs/dbraw/zinc/06/66/73/953066673.db2.gz COYSJNNTYPXIEV-GFCCVEGCSA-N -1 1 382.432 0.309 20 0 GCADMM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001571209790 953068155 /nfs/dbraw/zinc/06/81/55/953068155.db2.gz FDLPUDXKMYPORA-VIFPVBQESA-N -1 1 382.446 0.886 20 0 GCADMM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001571209790 953068158 /nfs/dbraw/zinc/06/81/58/953068158.db2.gz FDLPUDXKMYPORA-VIFPVBQESA-N -1 1 382.446 0.886 20 0 GCADMM O=C(Cn1cccn1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571210390 953072049 /nfs/dbraw/zinc/07/20/49/953072049.db2.gz QJVKOSPRCUUFGJ-CYBMUJFWSA-N -1 1 382.432 0.158 20 0 GCADMM Cn1cncc1CC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211625 953078352 /nfs/dbraw/zinc/07/83/52/953078352.db2.gz CXMQRLBZEDTXBA-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1ncn(C)c1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571211619 953078419 /nfs/dbraw/zinc/07/84/19/953078419.db2.gz CTPDJBAJRSJATP-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1ncn(C)c1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571211619 953078420 /nfs/dbraw/zinc/07/84/20/953078420.db2.gz CTPDJBAJRSJATP-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211674 953079697 /nfs/dbraw/zinc/07/96/97/953079697.db2.gz FIJSZIRLOOFHLB-NEPJUHHUSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211674 953079700 /nfs/dbraw/zinc/07/97/00/953079700.db2.gz FIJSZIRLOOFHLB-NEPJUHHUSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211656 953079735 /nfs/dbraw/zinc/07/97/35/953079735.db2.gz DYGCYKKOIXUFBH-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211656 953079738 /nfs/dbraw/zinc/07/97/38/953079738.db2.gz DYGCYKKOIXUFBH-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571211648 953079743 /nfs/dbraw/zinc/07/97/43/953079743.db2.gz DWTJQORJCCUGNC-NWDGAFQWSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571211648 953079745 /nfs/dbraw/zinc/07/97/45/953079745.db2.gz DWTJQORJCCUGNC-NWDGAFQWSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211691 953079758 /nfs/dbraw/zinc/07/97/58/953079758.db2.gz FSMBUVIVUUDQMV-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211691 953079761 /nfs/dbraw/zinc/07/97/61/953079761.db2.gz FSMBUVIVUUDQMV-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211632 953079850 /nfs/dbraw/zinc/07/98/50/953079850.db2.gz DEMOZBNHYCFHAJ-LBPRGKRZSA-N -1 1 382.432 0.642 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211632 953079853 /nfs/dbraw/zinc/07/98/53/953079853.db2.gz DEMOZBNHYCFHAJ-LBPRGKRZSA-N -1 1 382.432 0.642 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571211810 953081018 /nfs/dbraw/zinc/08/10/18/953081018.db2.gz GGJICDUARLWRBM-CABZTGNLSA-N -1 1 382.432 0.959 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571211810 953081023 /nfs/dbraw/zinc/08/10/23/953081023.db2.gz GGJICDUARLWRBM-CABZTGNLSA-N -1 1 382.432 0.959 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001571211841 953082126 /nfs/dbraw/zinc/08/21/26/953082126.db2.gz HCFPNJASCGQTFE-DGCLKSJQSA-N -1 1 382.432 0.641 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001571211841 953082129 /nfs/dbraw/zinc/08/21/29/953082129.db2.gz HCFPNJASCGQTFE-DGCLKSJQSA-N -1 1 382.432 0.641 20 0 GCADMM Cc1cnn(CC(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571211882 953083231 /nfs/dbraw/zinc/08/32/31/953083231.db2.gz IDBPDLVECVXFIM-CYBMUJFWSA-N -1 1 382.432 0.255 20 0 GCADMM Cc1cnn(CC(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571211882 953083236 /nfs/dbraw/zinc/08/32/36/953083236.db2.gz IDBPDLVECVXFIM-CYBMUJFWSA-N -1 1 382.432 0.255 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571212120 953083596 /nfs/dbraw/zinc/08/35/96/953083596.db2.gz JCXRTAXLJIOROF-DGCLKSJQSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571212127 953084193 /nfs/dbraw/zinc/08/41/93/953084193.db2.gz JJIMUJSPGLMJSQ-LBPRGKRZSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571212127 953084197 /nfs/dbraw/zinc/08/41/97/953084197.db2.gz JJIMUJSPGLMJSQ-LBPRGKRZSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1ccnn1CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571212140 953085187 /nfs/dbraw/zinc/08/51/87/953085187.db2.gz JQGQQTPGSUYROU-CYBMUJFWSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1ccnn1CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571212140 953085190 /nfs/dbraw/zinc/08/51/90/953085190.db2.gz JQGQQTPGSUYROU-CYBMUJFWSA-N -1 1 382.432 0.655 20 0 GCADMM Cn1cncc1CC(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571212366 953086909 /nfs/dbraw/zinc/08/69/09/953086909.db2.gz MTINQMSYSKWAQE-NEPJUHHUSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1cncc1CC(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571212366 953086914 /nfs/dbraw/zinc/08/69/14/953086914.db2.gz MTINQMSYSKWAQE-NEPJUHHUSA-N -1 1 382.432 0.472 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001571212331 953087124 /nfs/dbraw/zinc/08/71/24/953087124.db2.gz LSYOBSNKRQQUPG-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001571212331 953087126 /nfs/dbraw/zinc/08/71/26/953087126.db2.gz LSYOBSNKRQQUPG-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571212388 953087843 /nfs/dbraw/zinc/08/78/43/953087843.db2.gz NMQZFTGUVRTNLX-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571212388 953087848 /nfs/dbraw/zinc/08/78/48/953087848.db2.gz NMQZFTGUVRTNLX-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571212399 953088252 /nfs/dbraw/zinc/08/82/52/953088252.db2.gz NTKONOPHVOCJGJ-GFCCVEGCSA-N -1 1 382.432 0.595 20 0 GCADMM Cn1cncc1CC(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571212369 953088557 /nfs/dbraw/zinc/08/85/57/953088557.db2.gz MTINQMSYSKWAQE-VXGBXAGGSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1cncc1CC(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571212369 953088562 /nfs/dbraw/zinc/08/85/62/953088562.db2.gz MTINQMSYSKWAQE-VXGBXAGGSA-N -1 1 382.432 0.472 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)n1C ZINC001571212816 953090539 /nfs/dbraw/zinc/09/05/39/953090539.db2.gz PJMJPQSBGXWSFE-JQWIXIFHSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)n1C ZINC001571212816 953090544 /nfs/dbraw/zinc/09/05/44/953090544.db2.gz PJMJPQSBGXWSFE-JQWIXIFHSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571213105 953092227 /nfs/dbraw/zinc/09/22/27/953092227.db2.gz QSYLHWDOHHRYNC-RYUDHWBXSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571213105 953092230 /nfs/dbraw/zinc/09/22/30/953092230.db2.gz QSYLHWDOHHRYNC-RYUDHWBXSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213133 953092260 /nfs/dbraw/zinc/09/22/60/953092260.db2.gz REMGJVLYBBLWMT-QGZVFWFLSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213133 953092263 /nfs/dbraw/zinc/09/22/63/953092263.db2.gz REMGJVLYBBLWMT-QGZVFWFLSA-N -1 1 382.432 0.663 20 0 GCADMM Cn1ccc(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571213085 953092655 /nfs/dbraw/zinc/09/26/55/953092655.db2.gz QOPXWQCMSMCLHT-LBPRGKRZSA-N -1 1 382.432 0.309 20 0 GCADMM Cc1ncn(C)c1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571213185 953093515 /nfs/dbraw/zinc/09/35/15/953093515.db2.gz RPZCIQASJPQBFS-ZYHUDNBSSA-N -1 1 382.432 0.201 20 0 GCADMM Cc1ncn(C)c1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571213185 953093519 /nfs/dbraw/zinc/09/35/19/953093519.db2.gz RPZCIQASJPQBFS-ZYHUDNBSSA-N -1 1 382.432 0.201 20 0 GCADMM Cc1ncc(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571213500 953095001 /nfs/dbraw/zinc/09/50/01/953095001.db2.gz VDESLXVRGBVKBY-LBPRGKRZSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1ncc(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571213500 953095007 /nfs/dbraw/zinc/09/50/07/953095007.db2.gz VDESLXVRGBVKBY-LBPRGKRZSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571213499 953095126 /nfs/dbraw/zinc/09/51/26/953095126.db2.gz VDESLXVRGBVKBY-GFCCVEGCSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571213499 953095128 /nfs/dbraw/zinc/09/51/28/953095128.db2.gz VDESLXVRGBVKBY-GFCCVEGCSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571213443 953095306 /nfs/dbraw/zinc/09/53/06/953095306.db2.gz TXBGTWVQTXKJTF-OLZOCXBDSA-N -1 1 382.432 0.254 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571213443 953095311 /nfs/dbraw/zinc/09/53/11/953095311.db2.gz TXBGTWVQTXKJTF-OLZOCXBDSA-N -1 1 382.432 0.254 20 0 GCADMM Cn1cncc1C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571213480 953095903 /nfs/dbraw/zinc/09/59/03/953095903.db2.gz UVXXSOFIUVMTQY-LBPRGKRZSA-N -1 1 382.432 0.569 20 0 GCADMM Cn1cncc1C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571213480 953095908 /nfs/dbraw/zinc/09/59/08/953095908.db2.gz UVXXSOFIUVMTQY-LBPRGKRZSA-N -1 1 382.432 0.569 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571213820 953097240 /nfs/dbraw/zinc/09/72/40/953097240.db2.gz WWRUFYSWWNWJHI-ZDUSSCGKSA-N -1 1 382.432 0.431 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571213820 953097245 /nfs/dbraw/zinc/09/72/45/953097245.db2.gz WWRUFYSWWNWJHI-ZDUSSCGKSA-N -1 1 382.432 0.431 20 0 GCADMM Cc1cnn(CC(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571213783 953097622 /nfs/dbraw/zinc/09/76/22/953097622.db2.gz VSCMEZZSYQZOEN-QWHCGFSZSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1cnn(CC(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571213783 953097625 /nfs/dbraw/zinc/09/76/25/953097625.db2.gz VSCMEZZSYQZOEN-QWHCGFSZSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1ccn([C@@H](C)CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571213872 953098202 /nfs/dbraw/zinc/09/82/02/953098202.db2.gz YAFOUBNBSRJXJC-QWHCGFSZSA-N -1 1 382.432 0.248 20 0 GCADMM Cn1ccc(CCC(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571214116 953099174 /nfs/dbraw/zinc/09/91/74/953099174.db2.gz YIXNPIHNECSEOQ-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccc(CCC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571214116 953099178 /nfs/dbraw/zinc/09/91/78/953099178.db2.gz YIXNPIHNECSEOQ-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571214219 953101034 /nfs/dbraw/zinc/10/10/34/953101034.db2.gz ZKJAFHIERFZFMB-GFCCVEGCSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571214219 953101038 /nfs/dbraw/zinc/10/10/38/953101038.db2.gz ZKJAFHIERFZFMB-GFCCVEGCSA-N -1 1 382.432 0.738 20 0 GCADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cncc(F)c1 ZINC001571216631 953102894 /nfs/dbraw/zinc/10/28/94/953102894.db2.gz AFRMEHUPPGAVIH-GFCCVEGCSA-N -1 1 383.391 0.836 20 0 GCADMM CC(=O)c1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1C ZINC001571217262 953106201 /nfs/dbraw/zinc/10/62/01/953106201.db2.gz DFHIYWKACCAMNI-UHFFFAOYSA-N -1 1 383.368 0.070 20 0 GCADMM COc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)co1 ZINC001571217579 953109280 /nfs/dbraw/zinc/10/92/80/953109280.db2.gz NZLICNLPGZHDQX-LNLATYFQSA-N -1 1 383.372 0.193 20 0 GCADMM COc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)co1 ZINC001571217579 953109281 /nfs/dbraw/zinc/10/92/81/953109281.db2.gz NZLICNLPGZHDQX-LNLATYFQSA-N -1 1 383.372 0.193 20 0 GCADMM C[C@H](C(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001571217639 953110218 /nfs/dbraw/zinc/11/02/18/953110218.db2.gz GQPSZRUKIOYSPL-ABKXIKBNSA-N -1 1 383.372 0.613 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571218253 953113785 /nfs/dbraw/zinc/11/37/85/953113785.db2.gz UGRCLKBXFXFGNF-MFKMUULPSA-N -1 1 383.391 0.692 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571218253 953113789 /nfs/dbraw/zinc/11/37/89/953113789.db2.gz UGRCLKBXFXFGNF-MFKMUULPSA-N -1 1 383.391 0.692 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571218251 953113821 /nfs/dbraw/zinc/11/38/21/953113821.db2.gz UGRCLKBXFXFGNF-GWCFXTLKSA-N -1 1 383.391 0.692 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571218251 953113826 /nfs/dbraw/zinc/11/38/26/953113826.db2.gz UGRCLKBXFXFGNF-GWCFXTLKSA-N -1 1 383.391 0.692 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2ncccc2F)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571218736 953119226 /nfs/dbraw/zinc/11/92/26/953119226.db2.gz ZZMCBUOXZVIEBN-MNOVXSKESA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2ncccc2F)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571218736 953119227 /nfs/dbraw/zinc/11/92/27/953119227.db2.gz ZZMCBUOXZVIEBN-MNOVXSKESA-N -1 1 383.391 0.978 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)Cc2ccc(F)cn2)C1 ZINC001571219032 953121575 /nfs/dbraw/zinc/12/15/75/953121575.db2.gz JVUMMGKKJNZKSJ-ZDUSSCGKSA-N -1 1 383.391 0.471 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)Cc2ccc(F)cn2)C1 ZINC001571219032 953121578 /nfs/dbraw/zinc/12/15/78/953121578.db2.gz JVUMMGKKJNZKSJ-ZDUSSCGKSA-N -1 1 383.391 0.471 20 0 GCADMM O=C(Cc1ncccc1F)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219155 953123556 /nfs/dbraw/zinc/12/35/56/953123556.db2.gz KOQZMIPXBXMMEP-LLVKDONJSA-N -1 1 383.391 0.519 20 0 GCADMM O=C(Cc1ncccc1F)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219155 953123558 /nfs/dbraw/zinc/12/35/58/953123558.db2.gz KOQZMIPXBXMMEP-LLVKDONJSA-N -1 1 383.391 0.519 20 0 GCADMM C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(C)(C)c1ccccc1 ZINC001571219425 953125664 /nfs/dbraw/zinc/12/56/64/953125664.db2.gz OOMFAPSBWNTPPP-NSHDSACASA-N -1 1 383.412 0.612 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cc3cc(C)on3)C2)cc(-c2nnn[n-]2)n1 ZINC001571222244 953132467 /nfs/dbraw/zinc/13/24/67/953132467.db2.gz BCYZNIAXMUHMRK-LLVKDONJSA-N -1 1 383.416 0.771 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cc3cc(C)on3)C2)cc(-c2nn[n-]n2)n1 ZINC001571222244 953132469 /nfs/dbraw/zinc/13/24/69/953132469.db2.gz BCYZNIAXMUHMRK-LLVKDONJSA-N -1 1 383.416 0.771 20 0 GCADMM Cc1ccccc1C(C)(C)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571222605 953137012 /nfs/dbraw/zinc/13/70/12/953137012.db2.gz JWENHKNPZSCOJF-UHFFFAOYSA-N -1 1 383.412 0.879 20 0 GCADMM CCc1ocnc1C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001571222675 953138013 /nfs/dbraw/zinc/13/80/13/953138013.db2.gz IOMIVLVZJIZEHO-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ocnc1C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001571222675 953138016 /nfs/dbraw/zinc/13/80/16/953138016.db2.gz IOMIVLVZJIZEHO-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1[nH]ccc1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001571222791 953138946 /nfs/dbraw/zinc/13/89/46/953138946.db2.gz LEGPSBFCABXZJJ-LLVKDONJSA-N -1 1 383.416 0.182 20 0 GCADMM CCc1[nH]ccc1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001571222791 953138948 /nfs/dbraw/zinc/13/89/48/953138948.db2.gz LEGPSBFCABXZJJ-LLVKDONJSA-N -1 1 383.416 0.182 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)CCc1ccon1)c1cncc(-c2nnn[n-]2)n1 ZINC001571222918 953140431 /nfs/dbraw/zinc/14/04/31/953140431.db2.gz NLSROSSPMYCUKL-CYBMUJFWSA-N -1 1 383.416 0.705 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)CCc1ccon1)c1cncc(-c2nn[n-]n2)n1 ZINC001571222918 953140432 /nfs/dbraw/zinc/14/04/32/953140432.db2.gz NLSROSSPMYCUKL-CYBMUJFWSA-N -1 1 383.416 0.705 20 0 GCADMM CCc1ncoc1C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571222960 953140519 /nfs/dbraw/zinc/14/05/19/953140519.db2.gz OGZCGOFOFWOWJB-LLVKDONJSA-N -1 1 383.416 0.854 20 0 GCADMM CCc1ncoc1C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571222960 953140522 /nfs/dbraw/zinc/14/05/22/953140522.db2.gz OGZCGOFOFWOWJB-LLVKDONJSA-N -1 1 383.416 0.854 20 0 GCADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2ncoc2C)CC1 ZINC001571223495 953144101 /nfs/dbraw/zinc/14/41/01/953144101.db2.gz RPIWHPVRHDOPBA-UHFFFAOYSA-N -1 1 383.416 0.872 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)c3cc(C)on3)CC2)n1 ZINC001571223507 953145300 /nfs/dbraw/zinc/14/53/00/953145300.db2.gz RYMKISTYKKGDTD-UHFFFAOYSA-N -1 1 383.416 0.868 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)c3cc(C)on3)CC2)n1 ZINC001571223507 953145305 /nfs/dbraw/zinc/14/53/05/953145305.db2.gz RYMKISTYKKGDTD-UHFFFAOYSA-N -1 1 383.416 0.868 20 0 GCADMM CCc1noc(C)c1C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571223559 953145462 /nfs/dbraw/zinc/14/54/62/953145462.db2.gz VJEANAXQUGFKSG-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CCc1noc(C)c1C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571223559 953145465 /nfs/dbraw/zinc/14/54/65/953145465.db2.gz VJEANAXQUGFKSG-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CCc1cc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001571223677 953145874 /nfs/dbraw/zinc/14/58/74/953145874.db2.gz SKKAGZWSRIGHDQ-QGZVFWFLSA-N -1 1 383.416 0.593 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCCN2C(=O)c2ccon2)n1 ZINC001571224101 953148592 /nfs/dbraw/zinc/14/85/92/953148592.db2.gz YEBNPAQPWYIZKD-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCCN2C(=O)c2ccon2)n1 ZINC001571224101 953148595 /nfs/dbraw/zinc/14/85/95/953148595.db2.gz YEBNPAQPWYIZKD-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)no1 ZINC001571224168 953149079 /nfs/dbraw/zinc/14/90/79/953149079.db2.gz ZXEPTNVTYHVJJJ-JQWIXIFHSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)no1 ZINC001571224168 953149083 /nfs/dbraw/zinc/14/90/83/953149083.db2.gz ZXEPTNVTYHVJJJ-JQWIXIFHSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571224117 953149351 /nfs/dbraw/zinc/14/93/51/953149351.db2.gz YNAFQGHHZADGDV-KRWDZBQOSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571224117 953149352 /nfs/dbraw/zinc/14/93/52/953149352.db2.gz YNAFQGHHZADGDV-KRWDZBQOSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)co1 ZINC001571224126 953149558 /nfs/dbraw/zinc/14/95/58/953149558.db2.gz YUCJTGHPLIFXOR-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)co1 ZINC001571224126 953149560 /nfs/dbraw/zinc/14/95/60/953149560.db2.gz YUCJTGHPLIFXOR-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H]2CN(C(=O)c3cc[nH]c3)CCO2)n1 ZINC001571224938 953151805 /nfs/dbraw/zinc/15/18/05/953151805.db2.gz GZUBUMCOTDMHFQ-BXUZGUMPSA-N -1 1 383.416 0.635 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H]2CN(C(=O)c3cc[nH]c3)CCO2)n1 ZINC001571224938 953151808 /nfs/dbraw/zinc/15/18/08/953151808.db2.gz GZUBUMCOTDMHFQ-BXUZGUMPSA-N -1 1 383.416 0.635 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571225185 953151915 /nfs/dbraw/zinc/15/19/15/953151915.db2.gz IGTNSBGDOXMHQY-SKDRFNHKSA-N -1 1 383.416 0.906 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571225185 953151916 /nfs/dbraw/zinc/15/19/16/953151916.db2.gz IGTNSBGDOXMHQY-SKDRFNHKSA-N -1 1 383.416 0.906 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H]2CN(C(=O)c3cc[nH]c3)CCO2)n1 ZINC001571224941 953152233 /nfs/dbraw/zinc/15/22/33/953152233.db2.gz GZUBUMCOTDMHFQ-SMDDNHRTSA-N -1 1 383.416 0.635 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H]2CN(C(=O)c3cc[nH]c3)CCO2)n1 ZINC001571224941 953152235 /nfs/dbraw/zinc/15/22/35/953152235.db2.gz GZUBUMCOTDMHFQ-SMDDNHRTSA-N -1 1 383.416 0.635 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571225606 953153862 /nfs/dbraw/zinc/15/38/62/953153862.db2.gz LFVFHDPMJGYBRL-HAQNSBGRSA-N -1 1 383.416 0.811 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571225606 953153865 /nfs/dbraw/zinc/15/38/65/953153865.db2.gz LFVFHDPMJGYBRL-HAQNSBGRSA-N -1 1 383.416 0.811 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)Cc3cnoc3)CC[C@@H]2C)n1 ZINC001571225659 953153885 /nfs/dbraw/zinc/15/38/85/953153885.db2.gz MPKLMXVHVXALMM-AAEUAGOBSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)Cc3cnoc3)CC[C@@H]2C)n1 ZINC001571225659 953153887 /nfs/dbraw/zinc/15/38/87/953153887.db2.gz MPKLMXVHVXALMM-AAEUAGOBSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571225895 953154360 /nfs/dbraw/zinc/15/43/60/953154360.db2.gz NYIIAIRCMFLMPK-GFCCVEGCSA-N -1 1 383.416 0.329 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)n1 ZINC001571226481 953156212 /nfs/dbraw/zinc/15/62/12/953156212.db2.gz RYTWSRODZBQNHW-ZWNOBZJWSA-N -1 1 383.416 0.702 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)n1 ZINC001571226481 953156216 /nfs/dbraw/zinc/15/62/16/953156216.db2.gz RYTWSRODZBQNHW-ZWNOBZJWSA-N -1 1 383.416 0.702 20 0 GCADMM Cc1cc(CCC(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571226492 953156264 /nfs/dbraw/zinc/15/62/64/953156264.db2.gz SFEZFMIFQZWUDE-CYBMUJFWSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1cc(CCC(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571226492 953156267 /nfs/dbraw/zinc/15/62/67/953156267.db2.gz SFEZFMIFQZWUDE-CYBMUJFWSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1ncc(CC(=O)NC2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571226902 953156881 /nfs/dbraw/zinc/15/68/81/953156881.db2.gz WLCFVMGNEGPLTG-UHFFFAOYSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1ncc(CC(=O)NC2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571226902 953156883 /nfs/dbraw/zinc/15/68/83/953156883.db2.gz WLCFVMGNEGPLTG-UHFFFAOYSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)no1 ZINC001571226686 953156975 /nfs/dbraw/zinc/15/69/75/953156975.db2.gz WAJKIMFARSWFAL-JQWIXIFHSA-N -1 1 383.416 0.409 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)no1 ZINC001571226688 953157135 /nfs/dbraw/zinc/15/71/35/953157135.db2.gz WAJKIMFARSWFAL-ZYHUDNBSSA-N -1 1 383.416 0.409 20 0 GCADMM Cc1noc(C)c1C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226667 953157146 /nfs/dbraw/zinc/15/71/46/953157146.db2.gz VLGYJMBTNCYOQS-GFCCVEGCSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1noc(C)c1C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226667 953157148 /nfs/dbraw/zinc/15/71/48/953157148.db2.gz VLGYJMBTNCYOQS-GFCCVEGCSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571226970 953157494 /nfs/dbraw/zinc/15/74/94/953157494.db2.gz YBOWCQHJPFMDLX-TVQRCGJNSA-N -1 1 383.416 0.763 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571226970 953157498 /nfs/dbraw/zinc/15/74/98/953157498.db2.gz YBOWCQHJPFMDLX-TVQRCGJNSA-N -1 1 383.416 0.763 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001571227705 953158869 /nfs/dbraw/zinc/15/88/69/953158869.db2.gz AILXXWNRYKYPNG-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)n1 ZINC001571228029 953160916 /nfs/dbraw/zinc/16/09/16/953160916.db2.gz GQKQYUHAUATSTH-GHMZBOCLSA-N -1 1 383.420 0.088 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)n1 ZINC001571228029 953160918 /nfs/dbraw/zinc/16/09/18/953160918.db2.gz GQKQYUHAUATSTH-GHMZBOCLSA-N -1 1 383.420 0.088 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571228032 953161697 /nfs/dbraw/zinc/16/16/97/953161697.db2.gz GQKQYUHAUATSTH-WDEREUQCSA-N -1 1 383.420 0.088 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571228032 953161699 /nfs/dbraw/zinc/16/16/99/953161699.db2.gz GQKQYUHAUATSTH-WDEREUQCSA-N -1 1 383.420 0.088 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)nn1 ZINC001571228181 953162462 /nfs/dbraw/zinc/16/24/62/953162462.db2.gz KHUTVRYYOXPRPX-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)nn1 ZINC001571228181 953162463 /nfs/dbraw/zinc/16/24/63/953162463.db2.gz KHUTVRYYOXPRPX-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)nn1 ZINC001571228182 953162524 /nfs/dbraw/zinc/16/25/24/953162524.db2.gz KHUTVRYYOXPRPX-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)nn1 ZINC001571228182 953162525 /nfs/dbraw/zinc/16/25/25/953162525.db2.gz KHUTVRYYOXPRPX-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2cnn(C)n2)cc(-c2nnn[n-]2)n1 ZINC001571228239 953163171 /nfs/dbraw/zinc/16/31/71/953163171.db2.gz LNYVJMHLSQAWJQ-SNVBAGLBSA-N -1 1 383.420 0.064 20 0 GCADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2cnn(C)n2)cc(-c2nn[n-]n2)n1 ZINC001571228239 953163172 /nfs/dbraw/zinc/16/31/72/953163172.db2.gz LNYVJMHLSQAWJQ-SNVBAGLBSA-N -1 1 383.420 0.064 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571228301 953163555 /nfs/dbraw/zinc/16/35/55/953163555.db2.gz MXGKFTDJYYTGNU-VOMCLLRMSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571228301 953163557 /nfs/dbraw/zinc/16/35/57/953163557.db2.gz MXGKFTDJYYTGNU-VOMCLLRMSA-N -1 1 383.420 0.349 20 0 GCADMM CCn1nncc1C(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228439 953164779 /nfs/dbraw/zinc/16/47/79/953164779.db2.gz PCQBKNKDSCCPDF-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1nncc1C(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228439 953164782 /nfs/dbraw/zinc/16/47/82/953164782.db2.gz PCQBKNKDSCCPDF-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571228532 953165157 /nfs/dbraw/zinc/16/51/57/953165157.db2.gz QTZJHASCBWYLMW-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571228532 953165163 /nfs/dbraw/zinc/16/51/63/953165163.db2.gz QTZJHASCBWYLMW-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)nn1 ZINC001571228607 953165274 /nfs/dbraw/zinc/16/52/74/953165274.db2.gz UDJGOCFASGLLLJ-QWRGUYRKSA-N -1 1 383.420 0.373 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)nn1 ZINC001571228607 953165275 /nfs/dbraw/zinc/16/52/75/953165275.db2.gz UDJGOCFASGLLLJ-QWRGUYRKSA-N -1 1 383.420 0.373 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)nn1 ZINC001571228605 953165398 /nfs/dbraw/zinc/16/53/98/953165398.db2.gz UDJGOCFASGLLLJ-GHMZBOCLSA-N -1 1 383.420 0.373 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)nn1 ZINC001571228605 953165399 /nfs/dbraw/zinc/16/53/99/953165399.db2.gz UDJGOCFASGLLLJ-GHMZBOCLSA-N -1 1 383.420 0.373 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001571228564 953165429 /nfs/dbraw/zinc/16/54/29/953165429.db2.gz RWGRQRHWIRMCSM-SNVBAGLBSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001571228564 953165430 /nfs/dbraw/zinc/16/54/30/953165430.db2.gz RWGRQRHWIRMCSM-SNVBAGLBSA-N -1 1 383.420 0.138 20 0 GCADMM O=C(Cc1ccon1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228855 953166721 /nfs/dbraw/zinc/16/67/21/953166721.db2.gz WUHFCVUKZRRPMM-LBPRGKRZSA-N -1 1 383.416 0.928 20 0 GCADMM O=C(Cc1ccon1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228855 953166728 /nfs/dbraw/zinc/16/67/28/953166728.db2.gz WUHFCVUKZRRPMM-LBPRGKRZSA-N -1 1 383.416 0.928 20 0 GCADMM CCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCN(C(=O)c2nc[nH]n2)CC1 ZINC001571229045 953167560 /nfs/dbraw/zinc/16/75/60/953167560.db2.gz YULOGZXROMRPGP-UHFFFAOYSA-N -1 1 383.420 0.580 20 0 GCADMM O=C(CCn1ccnn1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571229392 953168968 /nfs/dbraw/zinc/16/89/68/953168968.db2.gz DJEZRZCTYKCMBU-LBPRGKRZSA-N -1 1 383.420 0.132 20 0 GCADMM O=C(CCn1ccnn1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571229392 953168970 /nfs/dbraw/zinc/16/89/70/953168970.db2.gz DJEZRZCTYKCMBU-LBPRGKRZSA-N -1 1 383.420 0.132 20 0 GCADMM Cn1nncc1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571229416 953169415 /nfs/dbraw/zinc/16/94/15/953169415.db2.gz DQCQFAYRRYXPNF-LLVKDONJSA-N -1 1 383.420 0.282 20 0 GCADMM Cn1nncc1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571229416 953169418 /nfs/dbraw/zinc/16/94/18/953169418.db2.gz DQCQFAYRRYXPNF-LLVKDONJSA-N -1 1 383.420 0.282 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571229543 953170598 /nfs/dbraw/zinc/17/05/98/953170598.db2.gz IFKOIEVFQPXITC-GXSJLCMTSA-N -1 1 383.420 0.497 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C)n1 ZINC001571229693 953171504 /nfs/dbraw/zinc/17/15/04/953171504.db2.gz JYNMHBKLAXPPOV-MWLCHTKSSA-N -1 1 383.420 0.294 20 0 GCADMM Cn1nncc1C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571230035 953173921 /nfs/dbraw/zinc/17/39/21/953173921.db2.gz RGIPCCRNTCEMTN-NSHDSACASA-N -1 1 383.420 0.282 20 0 GCADMM Cn1nncc1C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571230035 953173922 /nfs/dbraw/zinc/17/39/22/953173922.db2.gz RGIPCCRNTCEMTN-NSHDSACASA-N -1 1 383.420 0.282 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCN(C(=O)c4ccsn4)[C@@H]3C2)n1 ZINC001571230558 953178042 /nfs/dbraw/zinc/17/80/42/953178042.db2.gz GHMGYSQEGIUSQG-GXFFZTMASA-N -1 1 383.441 0.773 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCN(C(=O)c4ccsn4)[C@@H]3C2)n1 ZINC001571230558 953178045 /nfs/dbraw/zinc/17/80/45/953178045.db2.gz GHMGYSQEGIUSQG-GXFFZTMASA-N -1 1 383.441 0.773 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571230556 953178407 /nfs/dbraw/zinc/17/84/07/953178407.db2.gz XQMXAGXCKUBRGO-NSHDSACASA-N -1 1 383.420 0.498 20 0 GCADMM O=C(Cc1cscn1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571230837 953180433 /nfs/dbraw/zinc/18/04/33/953180433.db2.gz LMVHCCISLSJGJS-UTUOFQBUSA-N -1 1 383.441 0.582 20 0 GCADMM Cc1ncsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571231003 953181807 /nfs/dbraw/zinc/18/18/07/953181807.db2.gz PRMZJGBPVZSTON-MXWKQRLJSA-N -1 1 383.441 0.961 20 0 GCADMM C[C@]12CN(C(=O)c3ccsn3)C[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571230953 953181987 /nfs/dbraw/zinc/18/19/87/953181987.db2.gz OBUTZPSBBDZLIZ-HWPZZCPQSA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1cscn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571231118 953183138 /nfs/dbraw/zinc/18/31/38/953183138.db2.gz SVMFFALPMOKRLU-PHIMTYICSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1cscn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571231118 953183139 /nfs/dbraw/zinc/18/31/39/953183139.db2.gz SVMFFALPMOKRLU-PHIMTYICSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1cncs1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571231116 953183599 /nfs/dbraw/zinc/18/35/99/953183599.db2.gz STEFXVZFWWVNQB-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1cncs1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571231116 953183602 /nfs/dbraw/zinc/18/36/02/953183602.db2.gz STEFXVZFWWVNQB-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM C[C@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571233704 953195388 /nfs/dbraw/zinc/19/53/88/953195388.db2.gz BELBNFONOXHYHN-MJBXVCDLSA-N -1 1 383.460 0.036 20 0 GCADMM C[C@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571233704 953195390 /nfs/dbraw/zinc/19/53/90/953195390.db2.gz BELBNFONOXHYHN-MJBXVCDLSA-N -1 1 383.460 0.036 20 0 GCADMM CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001571234836 953205847 /nfs/dbraw/zinc/20/58/47/953205847.db2.gz KAXOCHDIZKVIRI-UHFFFAOYSA-N -1 1 384.352 0.942 20 0 GCADMM CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001571234836 953205849 /nfs/dbraw/zinc/20/58/49/953205849.db2.gz KAXOCHDIZKVIRI-UHFFFAOYSA-N -1 1 384.352 0.942 20 0 GCADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001571234916 953206941 /nfs/dbraw/zinc/20/69/41/953206941.db2.gz MTGPFVJLDQBFGQ-FNCVBFRFSA-N -1 1 383.865 0.688 20 0 GCADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cnns1 ZINC001571234990 953207756 /nfs/dbraw/zinc/20/77/56/953207756.db2.gz OZXUGBCLCJWRAS-RXMQYKEDSA-N -1 1 383.850 0.837 20 0 GCADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cnns1 ZINC001571234990 953207759 /nfs/dbraw/zinc/20/77/59/953207759.db2.gz OZXUGBCLCJWRAS-RXMQYKEDSA-N -1 1 383.850 0.837 20 0 GCADMM CO[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001571235042 953207979 /nfs/dbraw/zinc/20/79/79/953207979.db2.gz QVBPXIMFHJTITC-JGVFFNPUSA-N -1 1 384.194 0.560 20 0 GCADMM CO[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001571235042 953207983 /nfs/dbraw/zinc/20/79/83/953207983.db2.gz QVBPXIMFHJTITC-JGVFFNPUSA-N -1 1 384.194 0.560 20 0 GCADMM O=C(N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cnns1 ZINC001571235075 953208337 /nfs/dbraw/zinc/20/83/37/953208337.db2.gz RXORUWGASQLURQ-RXMQYKEDSA-N -1 1 383.850 0.837 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2)c1n[nH]cc1F ZINC001571235363 953211486 /nfs/dbraw/zinc/21/14/86/953211486.db2.gz BFWKYFQTBYZTCS-AEJSXWLSSA-N -1 1 384.379 0.306 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2)c1n[nH]cc1F ZINC001571235363 953211487 /nfs/dbraw/zinc/21/14/87/953211487.db2.gz BFWKYFQTBYZTCS-AEJSXWLSSA-N -1 1 384.379 0.306 20 0 GCADMM Cc1ccc(F)c(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)c1 ZINC001571235508 953212747 /nfs/dbraw/zinc/21/27/47/953212747.db2.gz GVIFXZXRQXVPHC-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM Cc1ccc(F)c(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)c1 ZINC001571235508 953212753 /nfs/dbraw/zinc/21/27/53/953212753.db2.gz GVIFXZXRQXVPHC-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM COCc1ccc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571235479 953212812 /nfs/dbraw/zinc/21/28/12/953212812.db2.gz GEXQILUHVYWWRW-LLVKDONJSA-N -1 1 384.400 0.652 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccc(F)cc1 ZINC001571235461 953213064 /nfs/dbraw/zinc/21/30/64/953213064.db2.gz FVRVRIUXHZLTNC-TZMCWYRMSA-N -1 1 384.375 0.165 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccc(F)cc1 ZINC001571235461 953213067 /nfs/dbraw/zinc/21/30/67/953213067.db2.gz FVRVRIUXHZLTNC-TZMCWYRMSA-N -1 1 384.375 0.165 20 0 GCADMM Cc1cc(F)cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)c1 ZINC001571235670 953214093 /nfs/dbraw/zinc/21/40/93/953214093.db2.gz MPHVFAATFCBCCD-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM Cc1cc(F)cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)c1 ZINC001571235670 953214096 /nfs/dbraw/zinc/21/40/96/953214096.db2.gz MPHVFAATFCBCCD-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)cc1F ZINC001571235708 953215362 /nfs/dbraw/zinc/21/53/62/953215362.db2.gz OIQISQXSNSXQOK-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)cc1F ZINC001571235708 953215366 /nfs/dbraw/zinc/21/53/66/953215366.db2.gz OIQISQXSNSXQOK-KGLIPLIRSA-N -1 1 384.375 0.084 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)[C@H](F)c1ccccc1 ZINC001571236186 953216898 /nfs/dbraw/zinc/21/68/98/953216898.db2.gz ULZAXDTZUOLYNA-FRRDWIJNSA-N -1 1 384.375 0.033 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)[C@H](F)c1ccccc1 ZINC001571236186 953216901 /nfs/dbraw/zinc/21/69/01/953216901.db2.gz ULZAXDTZUOLYNA-FRRDWIJNSA-N -1 1 384.375 0.033 20 0 GCADMM COc1ccc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571236655 953218267 /nfs/dbraw/zinc/21/82/67/953218267.db2.gz APDMBYFJMUCHOX-KRWDZBQOSA-N -1 1 384.400 0.645 20 0 GCADMM O=C(Cc1ccoc1)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571236881 953219148 /nfs/dbraw/zinc/21/91/48/953219148.db2.gz CMQGZVLMMADSAD-QGZVFWFLSA-N -1 1 384.400 0.258 20 0 GCADMM O=C(Cc1ccoc1)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571236881 953219151 /nfs/dbraw/zinc/21/91/51/953219151.db2.gz CMQGZVLMMADSAD-QGZVFWFLSA-N -1 1 384.400 0.258 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)c3nonc3C)C2)n1 ZINC001571237156 953220617 /nfs/dbraw/zinc/22/06/17/953220617.db2.gz FXJJOLRPBYRDKI-SNVBAGLBSA-N -1 1 384.404 0.261 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)c3nonc3C)C2)n1 ZINC001571237156 953220618 /nfs/dbraw/zinc/22/06/18/953220618.db2.gz FXJJOLRPBYRDKI-SNVBAGLBSA-N -1 1 384.404 0.261 20 0 GCADMM Cc1cocc1C(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571237681 953222340 /nfs/dbraw/zinc/22/23/40/953222340.db2.gz LQHDKYJECOFDNQ-WCQYABFASA-N -1 1 384.400 0.900 20 0 GCADMM Cc1cocc1C(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571237681 953222341 /nfs/dbraw/zinc/22/23/41/953222341.db2.gz LQHDKYJECOFDNQ-WCQYABFASA-N -1 1 384.400 0.900 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)C1=COCCO1 ZINC001571237660 953222592 /nfs/dbraw/zinc/22/25/92/953222592.db2.gz KZZHMDKNANYMGT-SRVKXCTJSA-N -1 1 384.400 0.018 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)C1=COCCO1 ZINC001571237660 953222594 /nfs/dbraw/zinc/22/25/94/953222594.db2.gz KZZHMDKNANYMGT-SRVKXCTJSA-N -1 1 384.400 0.018 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237913 953223724 /nfs/dbraw/zinc/22/37/24/953223724.db2.gz NUCOAERLNZMFGE-YPMHNXCESA-N -1 1 384.400 0.900 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237913 953223728 /nfs/dbraw/zinc/22/37/28/953223728.db2.gz NUCOAERLNZMFGE-YPMHNXCESA-N -1 1 384.400 0.900 20 0 GCADMM Cc1nonc1C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571238414 953229171 /nfs/dbraw/zinc/22/91/71/953229171.db2.gz BWDJVZZDWSRGKP-UHFFFAOYSA-N -1 1 384.404 0.337 20 0 GCADMM Cc1nonc1C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571238414 953229175 /nfs/dbraw/zinc/22/91/75/953229175.db2.gz BWDJVZZDWSRGKP-UHFFFAOYSA-N -1 1 384.404 0.337 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238504 953229920 /nfs/dbraw/zinc/22/99/20/953229920.db2.gz FOBCYCGFYDRPNL-NSHDSACASA-N -1 1 384.404 0.031 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238504 953229921 /nfs/dbraw/zinc/22/99/21/953229921.db2.gz FOBCYCGFYDRPNL-NSHDSACASA-N -1 1 384.404 0.031 20 0 GCADMM Cc1nnc(CC(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001571238500 953229929 /nfs/dbraw/zinc/22/99/29/953229929.db2.gz FMPPAHBDZGNOQL-LLVKDONJSA-N -1 1 384.404 0.384 20 0 GCADMM Cc1nnc(CC(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001571238500 953229931 /nfs/dbraw/zinc/22/99/31/953229931.db2.gz FMPPAHBDZGNOQL-LLVKDONJSA-N -1 1 384.404 0.384 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(Nc3nc(C)cc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571238499 953230267 /nfs/dbraw/zinc/23/02/67/953230267.db2.gz FMAXACTUNJHBRF-UHFFFAOYSA-N -1 1 384.404 0.302 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(Nc3nc(C)cc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571238499 953230269 /nfs/dbraw/zinc/23/02/69/953230269.db2.gz FMAXACTUNJHBRF-UHFFFAOYSA-N -1 1 384.404 0.302 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238780 953232589 /nfs/dbraw/zinc/23/25/89/953232589.db2.gz MLWNKXULVDFCDW-ONGXEEELSA-N -1 1 384.404 0.558 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238780 953232595 /nfs/dbraw/zinc/23/25/95/953232595.db2.gz MLWNKXULVDFCDW-ONGXEEELSA-N -1 1 384.404 0.558 20 0 GCADMM Cc1nonc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571239335 953238257 /nfs/dbraw/zinc/23/82/57/953238257.db2.gz UFLBCKKUYADAPI-GHMZBOCLSA-N -1 1 384.404 0.749 20 0 GCADMM Cc1nonc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571239335 953238259 /nfs/dbraw/zinc/23/82/59/953238259.db2.gz UFLBCKKUYADAPI-GHMZBOCLSA-N -1 1 384.404 0.749 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571239498 953239446 /nfs/dbraw/zinc/23/94/46/953239446.db2.gz VNEPSALDVPOGAU-LLVKDONJSA-N -1 1 384.404 0.398 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571239498 953239451 /nfs/dbraw/zinc/23/94/51/953239451.db2.gz VNEPSALDVPOGAU-LLVKDONJSA-N -1 1 384.404 0.398 20 0 GCADMM Cc1nonc1CC(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239513 953240223 /nfs/dbraw/zinc/24/02/23/953240223.db2.gz VVSRNVLHGHROGV-QWRGUYRKSA-N -1 1 384.404 0.430 20 0 GCADMM Cc1nonc1CC(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239513 953240226 /nfs/dbraw/zinc/24/02/26/953240226.db2.gz VVSRNVLHGHROGV-QWRGUYRKSA-N -1 1 384.404 0.430 20 0 GCADMM Cc1nnc(CC(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)o1 ZINC001571239519 953240891 /nfs/dbraw/zinc/24/08/91/953240891.db2.gz VZVQSBKGXQULEA-LLVKDONJSA-N -1 1 384.404 0.018 20 0 GCADMM Cc1nnc(CC(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)o1 ZINC001571239519 953240892 /nfs/dbraw/zinc/24/08/92/953240892.db2.gz VZVQSBKGXQULEA-LLVKDONJSA-N -1 1 384.404 0.018 20 0 GCADMM Cn1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)[nH]c1=O ZINC001571239775 953242667 /nfs/dbraw/zinc/24/26/67/953242667.db2.gz XQDJJJPNEILHJD-NSHDSACASA-N -1 1 384.404 0.059 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571239802 953242889 /nfs/dbraw/zinc/24/28/89/953242889.db2.gz YIGRTRSEOGMRES-NSHDSACASA-N -1 1 384.404 0.018 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571239802 953242893 /nfs/dbraw/zinc/24/28/93/953242893.db2.gz YIGRTRSEOGMRES-NSHDSACASA-N -1 1 384.404 0.018 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571239801 953243119 /nfs/dbraw/zinc/24/31/19/953243119.db2.gz YIGRTRSEOGMRES-LLVKDONJSA-N -1 1 384.404 0.018 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571239801 953243121 /nfs/dbraw/zinc/24/31/21/953243121.db2.gz YIGRTRSEOGMRES-LLVKDONJSA-N -1 1 384.404 0.018 20 0 GCADMM C[C@@](O)(CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001571242125 953252845 /nfs/dbraw/zinc/25/28/45/953252845.db2.gz BOLOQIIPTBRXAB-FTLABTOESA-N -1 1 384.444 0.102 20 0 GCADMM O=C(c1cnns1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571242124 953253003 /nfs/dbraw/zinc/25/30/03/953253003.db2.gz VFBRTFDADBYRTO-GHMZBOCLSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnns1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571242124 953253005 /nfs/dbraw/zinc/25/30/05/953253005.db2.gz VFBRTFDADBYRTO-GHMZBOCLSA-N -1 1 384.429 0.392 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CCC4)C2)n1 ZINC001571242076 953253094 /nfs/dbraw/zinc/25/30/94/953253094.db2.gz AUVYBVPKORGQBJ-RAIGVLPGSA-N -1 1 384.444 0.075 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CCC4)C2)n1 ZINC001571242076 953253096 /nfs/dbraw/zinc/25/30/96/953253096.db2.gz AUVYBVPKORGQBJ-RAIGVLPGSA-N -1 1 384.444 0.075 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001571242067 953253242 /nfs/dbraw/zinc/25/32/42/953253242.db2.gz ASOKMFIOHRQYFC-PZROIBLQSA-N -1 1 384.444 0.414 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001571242067 953253244 /nfs/dbraw/zinc/25/32/44/953253244.db2.gz ASOKMFIOHRQYFC-PZROIBLQSA-N -1 1 384.444 0.414 20 0 GCADMM C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001571242289 953254525 /nfs/dbraw/zinc/25/45/25/953254525.db2.gz CQKKLSGJIMYWCC-LXQQGXESSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001571242289 953254529 /nfs/dbraw/zinc/25/45/29/953254529.db2.gz CQKKLSGJIMYWCC-LXQQGXESSA-N -1 1 384.444 0.699 20 0 GCADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001571242391 953256292 /nfs/dbraw/zinc/25/62/92/953256292.db2.gz FHQMBYFMHWJHEW-XBFCOCLRSA-N -1 1 384.444 0.699 20 0 GCADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001571242391 953256293 /nfs/dbraw/zinc/25/62/93/953256293.db2.gz FHQMBYFMHWJHEW-XBFCOCLRSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@H]1C[C@@H]1C(=O)N1CCOC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571242529 953256931 /nfs/dbraw/zinc/25/69/31/953256931.db2.gz IGGCKJVNRZENLJ-STQMWFEESA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1C[C@H]1C(=O)N1CCOC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571242528 953257112 /nfs/dbraw/zinc/25/71/12/953257112.db2.gz IGGCKJVNRZENLJ-QWHCGFSZSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571242584 953257627 /nfs/dbraw/zinc/25/76/27/953257627.db2.gz JKVJGRCGSKJEGM-BZPMIXESSA-N -1 1 384.444 0.699 20 0 GCADMM CC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571242584 953257630 /nfs/dbraw/zinc/25/76/30/953257630.db2.gz JKVJGRCGSKJEGM-BZPMIXESSA-N -1 1 384.444 0.699 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001571242574 953257898 /nfs/dbraw/zinc/25/78/98/953257898.db2.gz JGPWNUQXDUTYGQ-JCGVRSQUSA-N -1 1 384.444 0.477 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001571242574 953257900 /nfs/dbraw/zinc/25/79/00/953257900.db2.gz JGPWNUQXDUTYGQ-JCGVRSQUSA-N -1 1 384.444 0.477 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)[C@H]1CCCO1 ZINC001571242605 953257928 /nfs/dbraw/zinc/25/79/28/953257928.db2.gz KAUZARAKQXSRSU-YIYPIFLZSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)[C@H]1CCCO1 ZINC001571242605 953257930 /nfs/dbraw/zinc/25/79/30/953257930.db2.gz KAUZARAKQXSRSU-YIYPIFLZSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001571242602 953257977 /nfs/dbraw/zinc/25/79/77/953257977.db2.gz KAUZARAKQXSRSU-FQUUOJAGSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001571242602 953257981 /nfs/dbraw/zinc/25/79/81/953257981.db2.gz KAUZARAKQXSRSU-FQUUOJAGSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H]1COCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571242636 953258550 /nfs/dbraw/zinc/25/85/50/953258550.db2.gz KQOCMUZWTPYUFS-IGQOVBAYSA-N -1 1 384.444 0.509 20 0 GCADMM C[C@H]1COCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571242636 953258552 /nfs/dbraw/zinc/25/85/52/953258552.db2.gz KQOCMUZWTPYUFS-IGQOVBAYSA-N -1 1 384.444 0.509 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571242688 953258853 /nfs/dbraw/zinc/25/88/53/953258853.db2.gz LPDJWFCWNVKBDX-FOCJUVANSA-N -1 1 384.444 0.224 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571242688 953258857 /nfs/dbraw/zinc/25/88/57/953258857.db2.gz LPDJWFCWNVKBDX-FOCJUVANSA-N -1 1 384.444 0.224 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)n1 ZINC001571242782 953260254 /nfs/dbraw/zinc/26/02/54/953260254.db2.gz NVSIHUFHNQVKLZ-OCCSQVGLSA-N -1 1 384.444 0.211 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)n1 ZINC001571242782 953260256 /nfs/dbraw/zinc/26/02/56/953260256.db2.gz NVSIHUFHNQVKLZ-OCCSQVGLSA-N -1 1 384.444 0.211 20 0 GCADMM C[C@@H]1CN(C(=O)C2CC2)CC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)O1 ZINC001571242778 953260497 /nfs/dbraw/zinc/26/04/97/953260497.db2.gz NUAFFXVSWAHDRR-GFCCVEGCSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1CN(C(=O)C2CC2)CC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)O1 ZINC001571242778 953260501 /nfs/dbraw/zinc/26/05/01/953260501.db2.gz NUAFFXVSWAHDRR-GFCCVEGCSA-N -1 1 384.444 0.653 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCO[C@H]2C)n1 ZINC001571242895 953260846 /nfs/dbraw/zinc/26/08/46/953260846.db2.gz QOOHYVFBHOKJHJ-BGCDDMGFSA-N -1 1 384.444 0.195 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCO[C@H]2C)n1 ZINC001571242895 953260848 /nfs/dbraw/zinc/26/08/48/953260848.db2.gz QOOHYVFBHOKJHJ-BGCDDMGFSA-N -1 1 384.444 0.195 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@@H]2C)n1 ZINC001571242896 953260933 /nfs/dbraw/zinc/26/09/33/953260933.db2.gz QOOHYVFBHOKJHJ-DZUFCKETSA-N -1 1 384.444 0.195 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCO[C@@H]2C)n1 ZINC001571242896 953260935 /nfs/dbraw/zinc/26/09/35/953260935.db2.gz QOOHYVFBHOKJHJ-DZUFCKETSA-N -1 1 384.444 0.195 20 0 GCADMM COC1CC(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)C1 ZINC001571242918 953261277 /nfs/dbraw/zinc/26/12/77/953261277.db2.gz QYLFJQTVHHQEBW-PWGQDJSOSA-N -1 1 384.444 0.511 20 0 GCADMM COC1CC(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)C1 ZINC001571242918 953261279 /nfs/dbraw/zinc/26/12/79/953261279.db2.gz QYLFJQTVHHQEBW-PWGQDJSOSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)C2(C3CC3)CC2)CCO1 ZINC001571243121 953263620 /nfs/dbraw/zinc/26/36/20/953263620.db2.gz WRXVKFSJVXKFCR-FZMZJTMJSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2(C3CC3)CC2)CCO1 ZINC001571243121 953263622 /nfs/dbraw/zinc/26/36/22/953263622.db2.gz WRXVKFSJVXKFCR-FZMZJTMJSA-N -1 1 384.444 0.875 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCOC2)C3)n1 ZINC001571243195 953263982 /nfs/dbraw/zinc/26/39/82/953263982.db2.gz YLDUHUOKWJKWHM-CXTNEJHOSA-N -1 1 384.444 0.618 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCOC2)C3)n1 ZINC001571243195 953263983 /nfs/dbraw/zinc/26/39/83/953263983.db2.gz YLDUHUOKWJKWHM-CXTNEJHOSA-N -1 1 384.444 0.618 20 0 GCADMM CO[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001571243201 953264206 /nfs/dbraw/zinc/26/42/06/953264206.db2.gz YPEFAZLNUHESCW-MXOJCPGVSA-N -1 1 384.444 0.413 20 0 GCADMM CO[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001571243201 953264209 /nfs/dbraw/zinc/26/42/09/953264209.db2.gz YPEFAZLNUHESCW-MXOJCPGVSA-N -1 1 384.444 0.413 20 0 GCADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571247522 953283499 /nfs/dbraw/zinc/28/34/99/953283499.db2.gz ACHOQWQNWUDCQB-IHRRRGAJSA-N -1 1 384.444 0.732 20 0 GCADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571247522 953283501 /nfs/dbraw/zinc/28/35/01/953283501.db2.gz ACHOQWQNWUDCQB-IHRRRGAJSA-N -1 1 384.444 0.732 20 0 GCADMM O=C(CC1(O)CCC1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571247712 953285702 /nfs/dbraw/zinc/28/57/02/953285702.db2.gz BZNHAWBAJCQKNN-OLZOCXBDSA-N -1 1 384.444 0.247 20 0 GCADMM O=C(CC1(O)CCC1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571247712 953285704 /nfs/dbraw/zinc/28/57/04/953285704.db2.gz BZNHAWBAJCQKNN-OLZOCXBDSA-N -1 1 384.444 0.247 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248100 953289554 /nfs/dbraw/zinc/28/95/54/953289554.db2.gz DSKVRPZHIKQGLD-WRSAYESZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248100 953289559 /nfs/dbraw/zinc/28/95/59/953289559.db2.gz DSKVRPZHIKQGLD-WRSAYESZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C1(C2CC2)CC1 ZINC001571248123 953289677 /nfs/dbraw/zinc/28/96/77/953289677.db2.gz DZLMSHJCISIFQE-UHFFFAOYSA-N -1 1 384.444 0.612 20 0 GCADMM O=C(N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C1(C2CC2)CC1 ZINC001571248123 953289680 /nfs/dbraw/zinc/28/96/80/953289680.db2.gz DZLMSHJCISIFQE-UHFFFAOYSA-N -1 1 384.444 0.612 20 0 GCADMM O=C([C@H]1CCCO1)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571248553 953294147 /nfs/dbraw/zinc/29/41/47/953294147.db2.gz GMRBTWJUNJANGH-WRSAYESZSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@H]1CCCO1)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571248553 953294150 /nfs/dbraw/zinc/29/41/50/953294150.db2.gz GMRBTWJUNJANGH-WRSAYESZSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1C[C@@]12CCOC2 ZINC001571248580 953294923 /nfs/dbraw/zinc/29/49/23/953294923.db2.gz HAHROQXMZTVSSU-FZKQIMNGSA-N -1 1 384.444 0.416 20 0 GCADMM O=C(NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1C[C@@]12CCOC2 ZINC001571248580 953294926 /nfs/dbraw/zinc/29/49/26/953294926.db2.gz HAHROQXMZTVSSU-FZKQIMNGSA-N -1 1 384.444 0.416 20 0 GCADMM O=C(C1CCOCC1)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571248815 953297821 /nfs/dbraw/zinc/29/78/21/953297821.db2.gz JCZKOQBVKYCPTI-SFHVURJKSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571248836 953297990 /nfs/dbraw/zinc/29/79/90/953297990.db2.gz JXRGRYPQRSIBMX-BCUIYNNISA-N -1 1 384.444 0.590 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571248836 953297991 /nfs/dbraw/zinc/29/79/91/953297991.db2.gz JXRGRYPQRSIBMX-BCUIYNNISA-N -1 1 384.444 0.590 20 0 GCADMM O=C([C@@H]1CCCO1)N1CCC2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571248796 953298180 /nfs/dbraw/zinc/29/81/80/953298180.db2.gz IPWFBGLICPTWNL-AWEZNQCLSA-N -1 1 384.444 0.655 20 0 GCADMM O=C([C@@H]1CCCO1)N1CCC2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571248796 953298184 /nfs/dbraw/zinc/29/81/84/953298184.db2.gz IPWFBGLICPTWNL-AWEZNQCLSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571248934 953298439 /nfs/dbraw/zinc/29/84/39/953298439.db2.gz MEHUZGRQXRPXNI-MQYQWHSLSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571248934 953298442 /nfs/dbraw/zinc/29/84/42/953298442.db2.gz MEHUZGRQXRPXNI-MQYQWHSLSA-N -1 1 384.444 0.414 20 0 GCADMM O=C([C@H]1CC12CC2)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571248888 953298808 /nfs/dbraw/zinc/29/88/08/953298808.db2.gz LFDZAHDQBLDFNX-CYBMUJFWSA-N -1 1 384.444 0.247 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571248908 953299096 /nfs/dbraw/zinc/29/90/96/953299096.db2.gz LNIURLMUSYDNOF-YEWDVWPNSA-N -1 1 384.444 0.843 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571248908 953299100 /nfs/dbraw/zinc/29/91/00/953299100.db2.gz LNIURLMUSYDNOF-YEWDVWPNSA-N -1 1 384.444 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/nfs/dbraw/zinc/17/50/78/531175078.db2.gz YETPCJOPEJPHMQ-UHFFFAOYSA-N -1 1 386.796 0.615 20 0 GCADMM O=C(CN1CSCC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000683062267 531176244 /nfs/dbraw/zinc/17/62/44/531176244.db2.gz WAMSYFSYLSINER-UHFFFAOYSA-N -1 1 385.467 0.648 20 0 GCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ncc(F)cc1F ZINC000683249753 531177632 /nfs/dbraw/zinc/17/76/32/531177632.db2.gz AOTDGPPYDXYFAJ-UHFFFAOYSA-N -1 1 378.382 0.539 20 0 GCADMM O=C(CS(=O)(=O)c1ncn[n-]1)Nc1ccccc1I ZINC000153011152 531179471 /nfs/dbraw/zinc/17/94/71/531179471.db2.gz FLNPVRAAMGCQNP-UHFFFAOYSA-N -1 1 392.178 0.822 20 0 GCADMM O=C(CS(=O)(=O)c1nc[n-]n1)Nc1ccccc1I ZINC000153011152 531179473 /nfs/dbraw/zinc/17/94/73/531179473.db2.gz FLNPVRAAMGCQNP-UHFFFAOYSA-N -1 1 392.178 0.822 20 0 GCADMM O=C(Cc1ccccc1I)NCCCc1nc(=O)[n-][nH]1 ZINC000157081533 531179744 /nfs/dbraw/zinc/17/97/44/531179744.db2.gz ZLTUPRCKFKNSAD-UHFFFAOYSA-N -1 1 386.193 0.994 20 0 GCADMM Cc1cnc([C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)s1 ZINC000565227888 531181002 /nfs/dbraw/zinc/18/10/02/531181002.db2.gz KTYFROBWVGLPTJ-SNVBAGLBSA-N -1 1 393.516 0.987 20 0 GCADMM O=S(=O)([N-]CC(F)F)c1ccccc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000565232089 531182711 /nfs/dbraw/zinc/18/27/11/531182711.db2.gz SYTQKLFASHZMJG-JTQLQIEISA-N -1 1 384.426 0.687 20 0 GCADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000442358694 531187055 /nfs/dbraw/zinc/18/70/55/531187055.db2.gz YVOHFLNJAYQVNS-UHFFFAOYSA-N -1 1 387.414 0.634 20 0 GCADMM O=S(=O)([N-]c1cnc[nH]1)c1cccc(S(=O)(=O)N2C[C@@H](F)[C@@H](F)C2)c1 ZINC000565550724 531187269 /nfs/dbraw/zinc/18/72/69/531187269.db2.gz ZDODVAYOZIDWGU-TXEJJXNPSA-N -1 1 392.409 0.891 20 0 GCADMM C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000565785487 531189646 /nfs/dbraw/zinc/18/96/46/531189646.db2.gz WGSGWUKXAIRDSR-NSHDSACASA-N -1 1 387.487 0.439 20 0 GCADMM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000685276917 531189920 /nfs/dbraw/zinc/18/99/20/531189920.db2.gz ZXIKGORPZXYMGM-VHSXEESVSA-N -1 1 378.472 0.519 20 0 GCADMM O=C(CO)N1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000685805071 531193752 /nfs/dbraw/zinc/19/37/52/531193752.db2.gz QSZZMYXKHOZMET-UHFFFAOYSA-N -1 1 394.225 0.980 20 0 GCADMM CNC(=O)CCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000566267790 531196136 /nfs/dbraw/zinc/19/61/36/531196136.db2.gz DVQTXMVNNITKIL-UHFFFAOYSA-N -1 1 382.269 0.914 20 0 GCADMM C[S@@](=O)C1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000443090335 531196878 /nfs/dbraw/zinc/19/68/78/531196878.db2.gz BOLSFGHQFMRJJD-OAQYLSRUSA-N -1 1 384.476 0.387 20 0 GCADMM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)CCCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000566485873 531198459 /nfs/dbraw/zinc/19/84/59/531198459.db2.gz DAJJCJNFIDDBEI-VXGBXAGGSA-N -1 1 380.492 0.107 20 0 GCADMM COCCS(=O)(=O)CCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737014475 598824799 /nfs/dbraw/zinc/82/47/99/598824799.db2.gz QFWDVHZLFQVNPK-UHFFFAOYSA-N -1 1 377.426 0.633 20 0 GCADMM CO[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(F)(F)F ZINC000736961181 598841900 /nfs/dbraw/zinc/84/19/00/598841900.db2.gz JQNOVMKUEQBMKU-ZETCQYMHSA-N -1 1 378.336 0.996 20 0 GCADMM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000735475373 598873608 /nfs/dbraw/zinc/87/36/08/598873608.db2.gz PINYTFNAWITNRL-SNVBAGLBSA-N -1 1 384.849 0.809 20 0 GCADMM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000735475373 598873610 /nfs/dbraw/zinc/87/36/10/598873610.db2.gz PINYTFNAWITNRL-SNVBAGLBSA-N -1 1 384.849 0.809 20 0 GCADMM CN(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736751636 598874015 /nfs/dbraw/zinc/87/40/15/598874015.db2.gz OJBMJEZZDCAGJT-UHFFFAOYSA-N -1 1 399.864 0.508 20 0 GCADMM CN(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736751636 598874017 /nfs/dbraw/zinc/87/40/17/598874017.db2.gz OJBMJEZZDCAGJT-UHFFFAOYSA-N -1 1 399.864 0.508 20 0 GCADMM COC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736934460 598874701 /nfs/dbraw/zinc/87/47/01/598874701.db2.gz BZDDYHBFBOJEJT-UHFFFAOYSA-N -1 1 386.821 0.593 20 0 GCADMM COC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736934460 598874702 /nfs/dbraw/zinc/87/47/02/598874702.db2.gz BZDDYHBFBOJEJT-UHFFFAOYSA-N -1 1 386.821 0.593 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOC[C@@H]1C(F)(F)F ZINC000738354640 598876739 /nfs/dbraw/zinc/87/67/39/598876739.db2.gz IVUSYMDJMRWVPW-SNVBAGLBSA-N -1 1 381.311 0.958 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cccn(C)c1=O ZINC000737488211 598892364 /nfs/dbraw/zinc/89/23/64/598892364.db2.gz RGWMHFNQESZSDV-UHFFFAOYSA-N -1 1 393.411 0.796 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cccn(C)c1=O ZINC000737488211 598892366 /nfs/dbraw/zinc/89/23/66/598892366.db2.gz RGWMHFNQESZSDV-UHFFFAOYSA-N -1 1 393.411 0.796 20 0 GCADMM Cc1nonc1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737549021 598894929 /nfs/dbraw/zinc/89/49/29/598894929.db2.gz YIMZCGOLECVDLH-UHFFFAOYSA-N -1 1 397.355 0.769 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1cnc(N(C)C)n1C ZINC000737200347 598895082 /nfs/dbraw/zinc/89/50/82/598895082.db2.gz LPNVGSJEAJWWTB-UHFFFAOYSA-N -1 1 399.459 0.633 20 0 GCADMM O=C(COC(=O)C[C@@H]1CCOC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737905744 598903866 /nfs/dbraw/zinc/90/38/66/598903866.db2.gz UWHPKWBTLKEHQG-LBPRGKRZSA-N -1 1 397.395 0.961 20 0 GCADMM O=C(COC(=O)C[C@@H]1CCOC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737905744 598903868 /nfs/dbraw/zinc/90/38/68/598903868.db2.gz UWHPKWBTLKEHQG-LBPRGKRZSA-N -1 1 397.395 0.961 20 0 GCADMM CCn1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000736719171 598908361 /nfs/dbraw/zinc/90/83/61/598908361.db2.gz PWDYQBKIQYMCPK-UHFFFAOYSA-N -1 1 383.416 0.911 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)c1-c1nn[n-]n1 ZINC000737190069 598911577 /nfs/dbraw/zinc/91/15/77/598911577.db2.gz UDYSSTUMYIPEKH-SECBINFHSA-N -1 1 388.457 0.744 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O ZINC000736714153 598912857 /nfs/dbraw/zinc/91/28/57/598912857.db2.gz OSGNWKDJBHCHHT-LLVKDONJSA-N -1 1 391.432 0.467 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000737202271 598927933 /nfs/dbraw/zinc/92/79/33/598927933.db2.gz ZKBJUJLFYWPHIY-ZDUSSCGKSA-N -1 1 387.444 0.642 20 0 GCADMM CCc1nncn1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736711034 598929648 /nfs/dbraw/zinc/92/96/48/598929648.db2.gz OPNCTJJRHSRFAI-UHFFFAOYSA-N -1 1 385.432 0.487 20 0 GCADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 ZINC000737301759 598929986 /nfs/dbraw/zinc/92/99/86/598929986.db2.gz SLKURDPQWWFFOH-UHFFFAOYSA-N -1 1 394.438 0.623 20 0 GCADMM CNC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736873899 598959527 /nfs/dbraw/zinc/95/95/27/598959527.db2.gz ODFBGNWMMCNELV-UHFFFAOYSA-N -1 1 390.381 0.154 20 0 GCADMM CNC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736873899 598959529 /nfs/dbraw/zinc/95/95/29/598959529.db2.gz ODFBGNWMMCNELV-UHFFFAOYSA-N -1 1 390.381 0.154 20 0 GCADMM CN(C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000736778810 598961330 /nfs/dbraw/zinc/96/13/30/598961330.db2.gz GLWKYKBXRGEIID-UHFFFAOYSA-N -1 1 388.457 0.670 20 0 GCADMM CN(C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000736778810 598961331 /nfs/dbraw/zinc/96/13/31/598961331.db2.gz GLWKYKBXRGEIID-UHFFFAOYSA-N -1 1 388.457 0.670 20 0 GCADMM COC(=O)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)o1 ZINC000736947934 598964603 /nfs/dbraw/zinc/96/46/03/598964603.db2.gz PCNQAYNFGOUWBQ-UHFFFAOYSA-N -1 1 390.381 0.999 20 0 GCADMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737370237 598986730 /nfs/dbraw/zinc/98/67/30/598986730.db2.gz OWWOJECIFPBHCK-UHFFFAOYSA-N -1 1 387.425 0.278 20 0 GCADMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737370237 598986732 /nfs/dbraw/zinc/98/67/32/598986732.db2.gz OWWOJECIFPBHCK-UHFFFAOYSA-N -1 1 387.425 0.278 20 0 GCADMM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000737121323 598987612 /nfs/dbraw/zinc/98/76/12/598987612.db2.gz NHPWGIPYGYIKQQ-UHFFFAOYSA-N -1 1 393.407 0.869 20 0 GCADMM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737121323 598987613 /nfs/dbraw/zinc/98/76/13/598987613.db2.gz NHPWGIPYGYIKQQ-UHFFFAOYSA-N -1 1 393.407 0.869 20 0 GCADMM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738115456 598997952 /nfs/dbraw/zinc/99/79/52/598997952.db2.gz BGUVUXANUHQRRR-UHFFFAOYSA-N -1 1 393.407 0.664 20 0 GCADMM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738115456 598997954 /nfs/dbraw/zinc/99/79/54/598997954.db2.gz BGUVUXANUHQRRR-UHFFFAOYSA-N -1 1 393.407 0.664 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(-n2cccn2)cc1 ZINC000737892002 599002192 /nfs/dbraw/zinc/00/21/92/599002192.db2.gz QGPLLBWHSRNXCJ-UHFFFAOYSA-N -1 1 389.379 0.816 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(-n2cccn2)cc1 ZINC000737892002 599002194 /nfs/dbraw/zinc/00/21/94/599002194.db2.gz QGPLLBWHSRNXCJ-UHFFFAOYSA-N -1 1 389.379 0.816 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Nc2cccnn2)CC1 ZINC000738354805 599009418 /nfs/dbraw/zinc/00/94/18/599009418.db2.gz KVUIFUVETZVJBY-UHFFFAOYSA-N -1 1 387.429 0.317 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Nc2cccnn2)CC1 ZINC000738354805 599009420 /nfs/dbraw/zinc/00/94/20/599009420.db2.gz KVUIFUVETZVJBY-UHFFFAOYSA-N -1 1 387.429 0.317 20 0 GCADMM CCS(=O)(=O)c1ccc(Cl)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000736663016 599014153 /nfs/dbraw/zinc/01/41/53/599014153.db2.gz AVCIZCNCISCAJF-UHFFFAOYSA-N -1 1 381.805 0.781 20 0 GCADMM CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736659425 599030967 /nfs/dbraw/zinc/03/09/67/599030967.db2.gz RVHXVNFYILLSHI-UHFFFAOYSA-N -1 1 379.446 0.148 20 0 GCADMM CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736659425 599030969 /nfs/dbraw/zinc/03/09/69/599030969.db2.gz RVHXVNFYILLSHI-UHFFFAOYSA-N -1 1 379.446 0.148 20 0 GCADMM O=C(NCc1nn[n-]n1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738128759 599032694 /nfs/dbraw/zinc/03/26/94/599032694.db2.gz LUOQWFQEHNZIST-UHFFFAOYSA-N -1 1 377.368 0.889 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(=O)OC(C)(C)C ZINC000737200455 599035225 /nfs/dbraw/zinc/03/52/25/599035225.db2.gz NAPMCLKSKYQWNK-UHFFFAOYSA-N -1 1 376.417 0.975 20 0 GCADMM COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cc1 ZINC000737090284 599037748 /nfs/dbraw/zinc/03/77/48/599037748.db2.gz FAOFIYNTDSXRCR-MRXNPFEDSA-N -1 1 393.407 0.801 20 0 GCADMM COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cc1 ZINC000737090284 599037751 /nfs/dbraw/zinc/03/77/51/599037751.db2.gz FAOFIYNTDSXRCR-MRXNPFEDSA-N -1 1 393.407 0.801 20 0 GCADMM COc1ccc2c(c1)OCC[C@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821854183 599044282 /nfs/dbraw/zinc/04/42/82/599044282.db2.gz HMTXROLBUVDGQZ-LLVKDONJSA-N -1 1 385.384 0.208 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](O)c2c(F)cccc2Cl)n(C)c1=O ZINC000737597814 599045231 /nfs/dbraw/zinc/04/52/31/599045231.db2.gz VCQPWZAFPYYYSL-VIFPVBQESA-N -1 1 395.782 0.202 20 0 GCADMM CCOC(=O)[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000821321139 599050815 /nfs/dbraw/zinc/05/08/15/599050815.db2.gz UOYFBOQZKQGMHV-LBPRGKRZSA-N -1 1 399.411 0.023 20 0 GCADMM CN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H]1CCCN(c2ccccc2)C1 ZINC000736841649 599062956 /nfs/dbraw/zinc/06/29/56/599062956.db2.gz GVERNCNSJZMUGK-AWEZNQCLSA-N -1 1 396.455 0.369 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](COCc3ccccc3)C2)n(C)c1=O ZINC000822599526 599063110 /nfs/dbraw/zinc/06/31/10/599063110.db2.gz DGMJCNYTQOLJSN-AWEZNQCLSA-N -1 1 397.439 0.307 20 0 GCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(-n2ccnc2)c1 ZINC000820451310 599094847 /nfs/dbraw/zinc/09/48/47/599094847.db2.gz UULMTDLOWJZPDY-LLVKDONJSA-N -1 1 393.411 0.623 20 0 GCADMM NC(=O)[C@H]([NH2+]CCNC(=O)Cc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736707 599096616 /nfs/dbraw/zinc/09/66/16/599096616.db2.gz LENCFODUZVCPBJ-QGZVFWFLSA-N -1 1 397.414 0.481 20 0 GCADMM Cc1c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nnn1C ZINC000737207033 599099968 /nfs/dbraw/zinc/09/99/68/599099968.db2.gz PVUAXTLUNLCOSU-UHFFFAOYSA-N -1 1 384.404 0.131 20 0 GCADMM CCn1nc2c(cc1=O)CN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC2 ZINC000821568279 599102933 /nfs/dbraw/zinc/10/29/33/599102933.db2.gz OTCJVYLBSZQCJC-UHFFFAOYSA-N -1 1 398.427 0.650 20 0 GCADMM CCO[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCCC2 ZINC000736611890 599119850 /nfs/dbraw/zinc/11/98/50/599119850.db2.gz KPHAWDCQKQIWPC-RYUDHWBXSA-N -1 1 389.460 0.804 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@H](C)[C@H](C)O)CC2)o1 ZINC000822422899 599131794 /nfs/dbraw/zinc/13/17/94/599131794.db2.gz FYKGAVAQGWOTPA-VHSXEESVSA-N -1 1 381.462 0.314 20 0 GCADMM COC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736948628 599131942 /nfs/dbraw/zinc/13/19/42/599131942.db2.gz NCQZPFDXUBCGSF-UHFFFAOYSA-N -1 1 382.336 0.844 20 0 GCADMM COC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736948628 599131943 /nfs/dbraw/zinc/13/19/43/599131943.db2.gz NCQZPFDXUBCGSF-UHFFFAOYSA-N -1 1 382.336 0.844 20 0 GCADMM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736591522 599134957 /nfs/dbraw/zinc/13/49/57/599134957.db2.gz UXGHTVCLKXYFDU-LBPRGKRZSA-N -1 1 388.384 0.220 20 0 GCADMM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736591522 599134958 /nfs/dbraw/zinc/13/49/58/599134958.db2.gz UXGHTVCLKXYFDU-LBPRGKRZSA-N -1 1 388.384 0.220 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC1CCC2(CC1)OCCO2 ZINC000737909615 599135095 /nfs/dbraw/zinc/13/50/95/599135095.db2.gz VKNYZEFTIJIHID-UHFFFAOYSA-N -1 1 388.384 0.220 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC1CCC2(CC1)OCCO2 ZINC000737909615 599135097 /nfs/dbraw/zinc/13/50/97/599135097.db2.gz VKNYZEFTIJIHID-UHFFFAOYSA-N -1 1 388.384 0.220 20 0 GCADMM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736326603 599136777 /nfs/dbraw/zinc/13/67/77/599136777.db2.gz BPOOGPKYLCCADS-TVQRCGJNSA-N -1 1 376.373 0.122 20 0 GCADMM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736326603 599136780 /nfs/dbraw/zinc/13/67/80/599136780.db2.gz BPOOGPKYLCCADS-TVQRCGJNSA-N -1 1 376.373 0.122 20 0 GCADMM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736273023 599138693 /nfs/dbraw/zinc/13/86/93/599138693.db2.gz QUFVEMJAJPDKJD-JQWIXIFHSA-N -1 1 387.400 0.823 20 0 GCADMM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736273023 599138695 /nfs/dbraw/zinc/13/86/95/599138695.db2.gz QUFVEMJAJPDKJD-JQWIXIFHSA-N -1 1 387.400 0.823 20 0 GCADMM CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736883718 599143553 /nfs/dbraw/zinc/14/35/53/599143553.db2.gz XQWSTCPTOIJMRJ-SNVBAGLBSA-N -1 1 395.379 0.805 20 0 GCADMM CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736883718 599143556 /nfs/dbraw/zinc/14/35/56/599143556.db2.gz XQWSTCPTOIJMRJ-SNVBAGLBSA-N -1 1 395.379 0.805 20 0 GCADMM Cc1ccc(OC2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000737364610 599206025 /nfs/dbraw/zinc/20/60/25/599206025.db2.gz MLUAQIQYUNMDSI-UHFFFAOYSA-N -1 1 397.439 0.620 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000822004934 599207687 /nfs/dbraw/zinc/20/76/87/599207687.db2.gz MBJCMEQYYABFPM-MRCXROJRSA-N -1 1 399.455 0.642 20 0 GCADMM Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)n(C)n1 ZINC000822207429 599216334 /nfs/dbraw/zinc/21/63/34/599216334.db2.gz WDTGKJXVEFFQEI-ZDUSSCGKSA-N -1 1 381.400 0.229 20 0 GCADMM Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)n(C)n1 ZINC000822207429 599216335 /nfs/dbraw/zinc/21/63/35/599216335.db2.gz WDTGKJXVEFFQEI-ZDUSSCGKSA-N -1 1 381.400 0.229 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC(C(=O)[O-])CC1 ZINC000738949706 596918783 /nfs/dbraw/zinc/91/87/83/596918783.db2.gz CHVMOMXSUJSBCP-NWDGAFQWSA-N -1 1 383.470 0.696 20 0 GCADMM C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)[O-])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000738949708 596919070 /nfs/dbraw/zinc/91/90/70/596919070.db2.gz CHVMOMXSUJSBCP-RYUDHWBXSA-N -1 1 383.470 0.696 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc2)[nH]1 ZINC000818506970 597020966 /nfs/dbraw/zinc/02/09/66/597020966.db2.gz UZDVFPXPNYOFMS-INIZCTEOSA-N -1 1 375.381 0.720 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000822005922 607266348 /nfs/dbraw/zinc/26/63/48/607266348.db2.gz VNKUAKJLNNPBHB-OCCSQVGLSA-N -1 1 389.460 0.352 20 0 GCADMM O=C([O-])CNC(=O)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000740482716 597045410 /nfs/dbraw/zinc/04/54/10/597045410.db2.gz AHMWJXGGOFRMJD-UHFFFAOYSA-N -1 1 376.413 0.640 20 0 GCADMM COCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@@H]1C ZINC000737006436 599239944 /nfs/dbraw/zinc/23/99/44/599239944.db2.gz XCJJKKCOBIGTIH-JTQLQIEISA-N -1 1 393.473 0.482 20 0 GCADMM CCCCn1c(N)c(N(CC)C(=O)CN2CC[C@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000818171797 597535792 /nfs/dbraw/zinc/53/57/92/597535792.db2.gz FLFZVHRVUFOKJT-NSHDSACASA-N -1 1 381.433 0.091 20 0 GCADMM CC(=O)NCCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)[C@H](C)C(=O)[O-] ZINC000262156782 597695614 /nfs/dbraw/zinc/69/56/14/597695614.db2.gz BLCWOAOFUFRMMU-LLVKDONJSA-N -1 1 376.417 0.478 20 0 GCADMM CC(=O)NCCN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@H](C)C(=O)[O-] ZINC000819746010 597700838 /nfs/dbraw/zinc/70/08/38/597700838.db2.gz QARNJGDQOFUREX-SNVBAGLBSA-N -1 1 392.437 0.123 20 0 GCADMM Cc1cc(F)cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000822203389 607319358 /nfs/dbraw/zinc/31/93/58/607319358.db2.gz RBXRHHCIVQWKSC-UHFFFAOYSA-N -1 1 387.379 0.307 20 0 GCADMM Cc1cc(F)cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000822203389 607319359 /nfs/dbraw/zinc/31/93/59/607319359.db2.gz RBXRHHCIVQWKSC-UHFFFAOYSA-N -1 1 387.379 0.307 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000821970953 607325326 /nfs/dbraw/zinc/32/53/26/607325326.db2.gz ULFASOTVDVMTRU-KWQFWETISA-N -1 1 379.446 0.138 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cn1C ZINC000821668098 607328056 /nfs/dbraw/zinc/32/80/56/607328056.db2.gz OMGJJCFMRDFKMJ-UHFFFAOYSA-N -1 1 380.361 0.932 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCSCC3)C2)n(C)c1=O ZINC000822600076 607331334 /nfs/dbraw/zinc/33/13/34/607331334.db2.gz JKYLXODQQYMHCW-JTQLQIEISA-N -1 1 393.473 0.121 20 0 GCADMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820220417 607331546 /nfs/dbraw/zinc/33/15/46/607331546.db2.gz UNRJTBZYKCPHIW-GWCFXTLKSA-N -1 1 383.412 0.093 20 0 GCADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820220418 607331807 /nfs/dbraw/zinc/33/18/07/607331807.db2.gz UNRJTBZYKCPHIW-GXFFZTMASA-N -1 1 383.412 0.093 20 0 GCADMM Cc1nc([C@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3F)CCO2)n[nH]1 ZINC000821152447 598171631 /nfs/dbraw/zinc/17/16/31/598171631.db2.gz BTCXLDLWMMKGEK-GFCCVEGCSA-N -1 1 377.332 0.489 20 0 GCADMM CCCc1nc([C@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCO2)n[nH]1 ZINC000820329942 598175804 /nfs/dbraw/zinc/17/58/04/598175804.db2.gz FOXZPAAEBUBBGG-CYBMUJFWSA-N -1 1 387.396 0.994 20 0 GCADMM CCCc1n[nH]c([C@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCO2)n1 ZINC000820329942 598175805 /nfs/dbraw/zinc/17/58/05/598175805.db2.gz FOXZPAAEBUBBGG-CYBMUJFWSA-N -1 1 387.396 0.994 20 0 GCADMM CCCc1nc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCO2)n[nH]1 ZINC000820329943 598175861 /nfs/dbraw/zinc/17/58/61/598175861.db2.gz FOXZPAAEBUBBGG-ZDUSSCGKSA-N -1 1 387.396 0.994 20 0 GCADMM CCCc1n[nH]c([C@@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCO2)n1 ZINC000820329943 598175862 /nfs/dbraw/zinc/17/58/62/598175862.db2.gz FOXZPAAEBUBBGG-ZDUSSCGKSA-N -1 1 387.396 0.994 20 0 GCADMM CC(C)[C@@H](NCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000820041353 598189579 /nfs/dbraw/zinc/18/95/79/598189579.db2.gz DBSLQDFJACHDML-SWLSCSKDSA-N -1 1 388.511 0.963 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCN1CCOC[C@H]1C ZINC000737199018 598233796 /nfs/dbraw/zinc/23/37/96/598233796.db2.gz FKEQHWFZOBONOG-LLVKDONJSA-N -1 1 389.460 0.354 20 0 GCADMM C[C@H]1CN(CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736284745 598261894 /nfs/dbraw/zinc/26/18/94/598261894.db2.gz FFWFNUZRSCLWLM-RYUDHWBXSA-N -1 1 381.462 0.039 20 0 GCADMM Cc1nc2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737490067 598262252 /nfs/dbraw/zinc/26/22/52/598262252.db2.gz PEUSTQZKTDAAGI-UHFFFAOYSA-N -1 1 384.425 0.898 20 0 GCADMM Cc1nc2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737490067 598262253 /nfs/dbraw/zinc/26/22/53/598262253.db2.gz PEUSTQZKTDAAGI-UHFFFAOYSA-N -1 1 384.425 0.898 20 0 GCADMM O=C(C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)N1CCCC1 ZINC000737793227 598262462 /nfs/dbraw/zinc/26/24/62/598262462.db2.gz WPZQJKFNYFJRCN-UHFFFAOYSA-N -1 1 391.457 0.285 20 0 GCADMM O=C(C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)N1CCCC1 ZINC000737793227 598262463 /nfs/dbraw/zinc/26/24/63/598262463.db2.gz WPZQJKFNYFJRCN-UHFFFAOYSA-N -1 1 391.457 0.285 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC000738073809 598267519 /nfs/dbraw/zinc/26/75/19/598267519.db2.gz BEDOXYOLIPTDEC-UHFFFAOYSA-N -1 1 391.388 0.109 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC000738073809 598267521 /nfs/dbraw/zinc/26/75/21/598267521.db2.gz BEDOXYOLIPTDEC-UHFFFAOYSA-N -1 1 391.388 0.109 20 0 GCADMM Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000737534310 598267608 /nfs/dbraw/zinc/26/76/08/598267608.db2.gz KIMHZQKHRKLVRE-SNVBAGLBSA-N -1 1 376.402 0.521 20 0 GCADMM Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000737534310 598267610 /nfs/dbraw/zinc/26/76/10/598267610.db2.gz KIMHZQKHRKLVRE-SNVBAGLBSA-N -1 1 376.402 0.521 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCc1ccccc1 ZINC000736131326 598268067 /nfs/dbraw/zinc/26/80/67/598268067.db2.gz QOBYHDQQNNYQEZ-NSHDSACASA-N -1 1 387.425 0.245 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCc1ccccc1 ZINC000736131326 598268068 /nfs/dbraw/zinc/26/80/68/598268068.db2.gz QOBYHDQQNNYQEZ-NSHDSACASA-N -1 1 387.425 0.245 20 0 GCADMM O=S(=O)(NCc1cccc(Cn2cccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344702 598268437 /nfs/dbraw/zinc/26/84/37/598268437.db2.gz FWQMSDJRMDVOEH-UHFFFAOYSA-N -1 1 396.436 0.985 20 0 GCADMM O=S(=O)(NCc1cccc(Cn2cccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344702 598268438 /nfs/dbraw/zinc/26/84/38/598268438.db2.gz FWQMSDJRMDVOEH-UHFFFAOYSA-N -1 1 396.436 0.985 20 0 GCADMM CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736458232 598270116 /nfs/dbraw/zinc/27/01/16/598270116.db2.gz XQRSEDHVGCYGAG-LBPRGKRZSA-N -1 1 393.473 0.579 20 0 GCADMM CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736458232 598270118 /nfs/dbraw/zinc/27/01/18/598270118.db2.gz XQRSEDHVGCYGAG-LBPRGKRZSA-N -1 1 393.473 0.579 20 0 GCADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1Cc1ccccc1 ZINC000738294536 598270934 /nfs/dbraw/zinc/27/09/34/598270934.db2.gz CJSXBBWLXQEIQO-HNNXBMFYSA-N -1 1 399.436 0.341 20 0 GCADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1Cc1ccccc1 ZINC000738294536 598270935 /nfs/dbraw/zinc/27/09/35/598270935.db2.gz CJSXBBWLXQEIQO-HNNXBMFYSA-N -1 1 399.436 0.341 20 0 GCADMM O=C1NCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccccc1 ZINC000738318110 598271532 /nfs/dbraw/zinc/27/15/32/598271532.db2.gz JANZGRNQGUYVIQ-CQSZACIVSA-N -1 1 385.409 0.124 20 0 GCADMM O=C1NCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccccc1 ZINC000738318110 598271534 /nfs/dbraw/zinc/27/15/34/598271534.db2.gz JANZGRNQGUYVIQ-CQSZACIVSA-N -1 1 385.409 0.124 20 0 GCADMM O=S(=O)(NCc1ccc(OCC2CC2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346304 598273376 /nfs/dbraw/zinc/27/33/76/598273376.db2.gz YIFDQWHICBQLLP-UHFFFAOYSA-N -1 1 387.425 0.924 20 0 GCADMM O=S(=O)(NCc1ccc(OCC2CC2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346304 598273378 /nfs/dbraw/zinc/27/33/78/598273378.db2.gz YIFDQWHICBQLLP-UHFFFAOYSA-N -1 1 387.425 0.924 20 0 GCADMM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736412470 598273610 /nfs/dbraw/zinc/27/36/10/598273610.db2.gz PNMZFFNGDHQXMX-LLVKDONJSA-N -1 1 379.446 0.331 20 0 GCADMM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736412470 598273612 /nfs/dbraw/zinc/27/36/12/598273612.db2.gz PNMZFFNGDHQXMX-LLVKDONJSA-N -1 1 379.446 0.331 20 0 GCADMM O=C1Cc2ccccc2N1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738316699 598274220 /nfs/dbraw/zinc/27/42/20/598274220.db2.gz WITNZUILAGISEX-UHFFFAOYSA-N -1 1 385.409 0.129 20 0 GCADMM O=C1Cc2ccccc2N1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738316699 598274222 /nfs/dbraw/zinc/27/42/22/598274222.db2.gz WITNZUILAGISEX-UHFFFAOYSA-N -1 1 385.409 0.129 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC3(CCC3)c3c2cccc3F)n(C)c1=O ZINC000737590277 598298948 /nfs/dbraw/zinc/29/89/48/598298948.db2.gz HUSUSXZOQLOSDN-UHFFFAOYSA-N -1 1 383.387 0.977 20 0 GCADMM O=C([C@H]1CCC(=O)N1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738303114 598308587 /nfs/dbraw/zinc/30/85/87/598308587.db2.gz DAAZSMWSXAWOAU-SNVBAGLBSA-N -1 1 398.383 0.042 20 0 GCADMM CCc1nc(CCNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)no1 ZINC000736700984 598320425 /nfs/dbraw/zinc/32/04/25/598320425.db2.gz XEGUYQPQIKDZPM-UHFFFAOYSA-N -1 1 376.402 0.607 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1c1nccn2cnnc12 ZINC000820741226 607350051 /nfs/dbraw/zinc/35/00/51/607350051.db2.gz BOZIVQHDURXGKU-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1c1nccn2cnnc12 ZINC000820741226 607350053 /nfs/dbraw/zinc/35/00/53/607350053.db2.gz BOZIVQHDURXGKU-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC000736222918 598338816 /nfs/dbraw/zinc/33/88/16/598338816.db2.gz HLIMATSZTSQBBX-OKILXGFUSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC000736222918 598338818 /nfs/dbraw/zinc/33/88/18/598338818.db2.gz HLIMATSZTSQBBX-OKILXGFUSA-N -1 1 385.476 0.283 20 0 GCADMM CCNC(=O)COc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1OC ZINC000736576441 598344219 /nfs/dbraw/zinc/34/42/19/598344219.db2.gz SALLPRKUFMSOQA-UHFFFAOYSA-N -1 1 384.400 0.792 20 0 GCADMM CCNC(=O)COc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1OC ZINC000736576441 598344220 /nfs/dbraw/zinc/34/42/20/598344220.db2.gz SALLPRKUFMSOQA-UHFFFAOYSA-N -1 1 384.400 0.792 20 0 GCADMM COCCNS(=O)(=O)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737005783 598345884 /nfs/dbraw/zinc/34/58/84/598345884.db2.gz FMZKFGPEMRAOMV-UHFFFAOYSA-N -1 1 390.429 0.194 20 0 GCADMM COCCNS(=O)(=O)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737005783 598345885 /nfs/dbraw/zinc/34/58/85/598345885.db2.gz FMZKFGPEMRAOMV-UHFFFAOYSA-N -1 1 390.429 0.194 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000737198567 598346511 /nfs/dbraw/zinc/34/65/11/598346511.db2.gz BBPUUAGMXYKHFB-LLVKDONJSA-N -1 1 389.460 0.042 20 0 GCADMM O=C(COc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1)NC1CC1 ZINC000737918316 598347533 /nfs/dbraw/zinc/34/75/33/598347533.db2.gz BERBQIRETUAPER-UHFFFAOYSA-N -1 1 380.412 0.969 20 0 GCADMM O=C(COc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1)NC1CC1 ZINC000737918316 598347535 /nfs/dbraw/zinc/34/75/35/598347535.db2.gz BERBQIRETUAPER-UHFFFAOYSA-N -1 1 380.412 0.969 20 0 GCADMM COC(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736935201 598359389 /nfs/dbraw/zinc/35/93/89/598359389.db2.gz GKUVSNCAZFWNBO-QMMMGPOBSA-N -1 1 393.429 0.650 20 0 GCADMM CCc1nn(CC(=O)NCc2ccc(OC)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705508 598378021 /nfs/dbraw/zinc/37/80/21/598378021.db2.gz JOTDTXPMQIUAQW-UHFFFAOYSA-N -1 1 397.439 0.873 20 0 GCADMM O=c1cc(CN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)nc2sccn21 ZINC000738381342 598385740 /nfs/dbraw/zinc/38/57/40/598385740.db2.gz ZHRFAAJMYWLDTP-UHFFFAOYSA-N -1 1 396.440 0.048 20 0 GCADMM O=c1cc(CN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)nc2sccn21 ZINC000738381342 598385741 /nfs/dbraw/zinc/38/57/41/598385741.db2.gz ZHRFAAJMYWLDTP-UHFFFAOYSA-N -1 1 396.440 0.048 20 0 GCADMM O=C(COC(=O)C1CCOCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737907875 598408669 /nfs/dbraw/zinc/40/86/69/598408669.db2.gz LPILZOVSAODZSQ-UHFFFAOYSA-N -1 1 397.395 0.961 20 0 GCADMM O=C(COC(=O)C1CCOCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737907875 598408671 /nfs/dbraw/zinc/40/86/71/598408671.db2.gz LPILZOVSAODZSQ-UHFFFAOYSA-N -1 1 397.395 0.961 20 0 GCADMM CO[C@@H](C)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736957197 598409731 /nfs/dbraw/zinc/40/97/31/598409731.db2.gz FFRDRZYPNCYNCF-NSHDSACASA-N -1 1 385.384 0.959 20 0 GCADMM CO[C@@H](C)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736957197 598409732 /nfs/dbraw/zinc/40/97/32/598409732.db2.gz FFRDRZYPNCYNCF-NSHDSACASA-N -1 1 385.384 0.959 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C(N)=O)C(C)C ZINC000737487419 598424729 /nfs/dbraw/zinc/42/47/29/598424729.db2.gz IRIAJFWUTLXVMD-CQSZACIVSA-N -1 1 385.432 0.085 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C(N)=O)C(C)C ZINC000737487419 598424730 /nfs/dbraw/zinc/42/47/30/598424730.db2.gz IRIAJFWUTLXVMD-CQSZACIVSA-N -1 1 385.432 0.085 20 0 GCADMM Cn1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000737613876 598452723 /nfs/dbraw/zinc/45/27/23/598452723.db2.gz SUCVZEOAOYOHTA-UHFFFAOYSA-N -1 1 395.383 0.811 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736909595 598453709 /nfs/dbraw/zinc/45/37/09/598453709.db2.gz QYBZWUGBWIGVBV-MNOVXSKESA-N -1 1 387.400 0.190 20 0 GCADMM CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736842436 598548712 /nfs/dbraw/zinc/54/87/12/598548712.db2.gz ROUQGTMQOYPSJF-UHFFFAOYSA-N -1 1 394.438 0.490 20 0 GCADMM CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736842436 598548714 /nfs/dbraw/zinc/54/87/14/598548714.db2.gz ROUQGTMQOYPSJF-UHFFFAOYSA-N -1 1 394.438 0.490 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)c2ccc3ccccc3c2)n(C)c1=O ZINC000737594876 598581044 /nfs/dbraw/zinc/58/10/44/598581044.db2.gz CVTIAJVORVAZOO-CQSZACIVSA-N -1 1 393.407 0.563 20 0 GCADMM COc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000737141838 598616116 /nfs/dbraw/zinc/61/61/16/598616116.db2.gz DMXSIGCVPRWNOJ-NSHDSACASA-N -1 1 388.409 0.552 20 0 GCADMM COc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000737141838 598616117 /nfs/dbraw/zinc/61/61/17/598616117.db2.gz DMXSIGCVPRWNOJ-NSHDSACASA-N -1 1 388.409 0.552 20 0 GCADMM CCn1c2cccc(F)c2nc1Cn1c(=O)c(-c2nn[n-]n2)cn(CC)c1=O ZINC000736718383 598644282 /nfs/dbraw/zinc/64/42/82/598644282.db2.gz KCLBDHLASPJSQM-UHFFFAOYSA-N -1 1 384.375 0.767 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826090201 607363896 /nfs/dbraw/zinc/36/38/96/607363896.db2.gz DEDWMQWLKHQSCK-UHFFFAOYSA-N -1 1 391.365 0.408 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccccc2)c2cccnc2)n(C)c1=O ZINC000737594774 598673524 /nfs/dbraw/zinc/67/35/24/598673524.db2.gz AAKCFROUGCNMFZ-OAHLLOKOSA-N -1 1 390.407 0.861 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000736912806 598675149 /nfs/dbraw/zinc/67/51/49/598675149.db2.gz QIIZTNYQVQITCV-LBPRGKRZSA-N -1 1 386.393 0.727 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000736912806 598675151 /nfs/dbraw/zinc/67/51/51/598675151.db2.gz QIIZTNYQVQITCV-LBPRGKRZSA-N -1 1 386.393 0.727 20 0 GCADMM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737781944 598687047 /nfs/dbraw/zinc/68/70/47/598687047.db2.gz CUUWRBQAZWWHIM-UHFFFAOYSA-N -1 1 380.405 0.249 20 0 GCADMM Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC000737471542 598695197 /nfs/dbraw/zinc/69/51/97/598695197.db2.gz IYCUXCRYIGMLSV-LLVKDONJSA-N -1 1 390.429 0.597 20 0 GCADMM Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC000737471542 598695199 /nfs/dbraw/zinc/69/51/99/598695199.db2.gz IYCUXCRYIGMLSV-LLVKDONJSA-N -1 1 390.429 0.597 20 0 GCADMM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737749665 598695704 /nfs/dbraw/zinc/69/57/04/598695704.db2.gz ZCQSPXILBHUQSI-JTQLQIEISA-N -1 1 382.421 0.672 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](OCCO)C1 ZINC000822005287 607362953 /nfs/dbraw/zinc/36/29/53/607362953.db2.gz PJOJBITZAMTABF-CYBMUJFWSA-N -1 1 390.444 0.517 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738354616 598711567 /nfs/dbraw/zinc/71/15/67/598711567.db2.gz IFJHNOKCSDWGCI-NSHDSACASA-N -1 1 393.404 0.292 20 0 GCADMM O=C([C@H](O)c1cccnc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737780249 598718876 /nfs/dbraw/zinc/71/88/76/598718876.db2.gz ALKXAHIFHMZUTQ-CQSZACIVSA-N -1 1 396.411 0.509 20 0 GCADMM CC[C@H](C)[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)C(=O)OC ZINC000736328865 598719691 /nfs/dbraw/zinc/71/96/91/598719691.db2.gz IJAYYGKKKGAOHN-ZBEGNZNMSA-N -1 1 398.423 0.886 20 0 GCADMM CCOCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736618937 598722075 /nfs/dbraw/zinc/72/20/75/598722075.db2.gz NMGMPWBOJOVHBI-UHFFFAOYSA-N -1 1 393.473 0.484 20 0 GCADMM CC(C)(C)[C@H](O)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735588616 598761260 /nfs/dbraw/zinc/76/12/60/598761260.db2.gz FGYHTESTJUPWSD-CQSZACIVSA-N -1 1 399.411 0.941 20 0 GCADMM CC(C)(C)[C@H](O)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735588616 598761261 /nfs/dbraw/zinc/76/12/61/598761261.db2.gz FGYHTESTJUPWSD-CQSZACIVSA-N -1 1 399.411 0.941 20 0 GCADMM COC[C@H](C)CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736967477 598777687 /nfs/dbraw/zinc/77/76/87/598777687.db2.gz BMJNXYXILDQKTE-LLVKDONJSA-N -1 1 390.448 0.846 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1Cn1cncn1 ZINC000738354744 598777729 /nfs/dbraw/zinc/77/77/29/598777729.db2.gz KLFWYNDOTQETKG-JTQLQIEISA-N -1 1 378.393 0.451 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccc(Br)c(F)c2)n(C)c1=O ZINC000737594804 598789087 /nfs/dbraw/zinc/78/90/87/598789087.db2.gz ANIKITFWVZGHRL-UHFFFAOYSA-N -1 1 397.164 0.958 20 0 GCADMM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736507271 598796935 /nfs/dbraw/zinc/79/69/35/598796935.db2.gz CPKCMHJASVMEMS-SECBINFHSA-N -1 1 391.450 0.450 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCNC(=O)C1(C)C ZINC000737487895 598807990 /nfs/dbraw/zinc/80/79/90/598807990.db2.gz OSNDYHCMXOGUFB-UHFFFAOYSA-N -1 1 397.443 0.196 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCNC(=O)C1(C)C ZINC000737487895 598807991 /nfs/dbraw/zinc/80/79/91/598807991.db2.gz OSNDYHCMXOGUFB-UHFFFAOYSA-N -1 1 397.443 0.196 20 0 GCADMM Cn1cc([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)cn1 ZINC000737602181 599295270 /nfs/dbraw/zinc/29/52/70/599295270.db2.gz FHGHJIHEWHEDEZ-SNVBAGLBSA-N -1 1 377.405 0.918 20 0 GCADMM Cn1cc([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)cn1 ZINC000737602181 599295271 /nfs/dbraw/zinc/29/52/71/599295271.db2.gz FHGHJIHEWHEDEZ-SNVBAGLBSA-N -1 1 377.405 0.918 20 0 GCADMM COCc1csc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000821696114 599298313 /nfs/dbraw/zinc/29/83/13/599298313.db2.gz XBMIQRSCKDWPOD-UHFFFAOYSA-N -1 1 378.422 0.529 20 0 GCADMM COCc1csc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000821696114 599298314 /nfs/dbraw/zinc/29/83/14/599298314.db2.gz XBMIQRSCKDWPOD-UHFFFAOYSA-N -1 1 378.422 0.529 20 0 GCADMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737747461 599316529 /nfs/dbraw/zinc/31/65/29/599316529.db2.gz NDSFZLIQPCCGLC-UHFFFAOYSA-N -1 1 387.425 0.955 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(C[C@@H]2CCCO2)C2CCCC2)n(C)c1=O ZINC000737589137 599322447 /nfs/dbraw/zinc/32/24/47/599322447.db2.gz AOGLISOEUZHEIJ-LBPRGKRZSA-N -1 1 375.433 0.192 20 0 GCADMM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000736593740 599332807 /nfs/dbraw/zinc/33/28/07/599332807.db2.gz JCNMITWHCZDIBM-JTQLQIEISA-N -1 1 383.405 0.970 20 0 GCADMM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000736593740 599332809 /nfs/dbraw/zinc/33/28/09/599332809.db2.gz JCNMITWHCZDIBM-JTQLQIEISA-N -1 1 383.405 0.970 20 0 GCADMM CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821613429 599340331 /nfs/dbraw/zinc/34/03/31/599340331.db2.gz NEDUZKHBJMRVIG-UHFFFAOYSA-N -1 1 390.400 0.925 20 0 GCADMM CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821613429 599340334 /nfs/dbraw/zinc/34/03/34/599340334.db2.gz NEDUZKHBJMRVIG-UHFFFAOYSA-N -1 1 390.400 0.925 20 0 GCADMM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820012309 599341433 /nfs/dbraw/zinc/34/14/33/599341433.db2.gz YURIDVUVSNWDBC-NSHDSACASA-N -1 1 396.448 0.931 20 0 GCADMM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820012309 599341435 /nfs/dbraw/zinc/34/14/35/599341435.db2.gz YURIDVUVSNWDBC-NSHDSACASA-N -1 1 396.448 0.931 20 0 GCADMM CCc1nnc2n1CCN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000821554507 599342105 /nfs/dbraw/zinc/34/21/05/599342105.db2.gz NQGQSTPCOHKKLA-UHFFFAOYSA-N -1 1 378.393 0.364 20 0 GCADMM CCc1nnc2n1CCN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000821554507 599342107 /nfs/dbraw/zinc/34/21/07/599342107.db2.gz NQGQSTPCOHKKLA-UHFFFAOYSA-N -1 1 378.393 0.364 20 0 GCADMM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000823530692 599342804 /nfs/dbraw/zinc/34/28/04/599342804.db2.gz PBFWLLGTECNKPB-LLVKDONJSA-N -1 1 394.432 0.781 20 0 GCADMM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000823530692 599342807 /nfs/dbraw/zinc/34/28/07/599342807.db2.gz PBFWLLGTECNKPB-LLVKDONJSA-N -1 1 394.432 0.781 20 0 GCADMM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000821653418 599345705 /nfs/dbraw/zinc/34/57/05/599345705.db2.gz ARLISLNVWFAQQQ-JTQLQIEISA-N -1 1 395.416 0.970 20 0 GCADMM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000821653418 599345707 /nfs/dbraw/zinc/34/57/07/599345707.db2.gz ARLISLNVWFAQQQ-JTQLQIEISA-N -1 1 395.416 0.970 20 0 GCADMM C[C@@H](Oc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)C(N)=O ZINC000820534576 599350688 /nfs/dbraw/zinc/35/06/88/599350688.db2.gz LNWAXBJQNVVQPM-SECBINFHSA-N -1 1 390.381 0.282 20 0 GCADMM C[C@@H](Oc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)C(N)=O ZINC000820534576 599350691 /nfs/dbraw/zinc/35/06/91/599350691.db2.gz LNWAXBJQNVVQPM-SECBINFHSA-N -1 1 390.381 0.282 20 0 GCADMM Cc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cc1 ZINC000822240840 599352476 /nfs/dbraw/zinc/35/24/76/599352476.db2.gz AXTQXZOCEJEMOY-OAHLLOKOSA-N -1 1 399.436 0.654 20 0 GCADMM Cc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cc1 ZINC000822240840 599352479 /nfs/dbraw/zinc/35/24/79/599352479.db2.gz AXTQXZOCEJEMOY-OAHLLOKOSA-N -1 1 399.436 0.654 20 0 GCADMM Cn1cnc(S(=O)(=O)[N-]CCOc2ccc(-c3nn[nH]n3)cc2)c1Cl ZINC000822699074 599356909 /nfs/dbraw/zinc/35/69/09/599356909.db2.gz NEASKBVRGCGPJY-UHFFFAOYSA-N -1 1 383.821 0.611 20 0 GCADMM Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822492143 599357217 /nfs/dbraw/zinc/35/72/17/599357217.db2.gz SBSSYAPXAGHJLN-SECBINFHSA-N -1 1 376.446 0.522 20 0 GCADMM Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822492143 599357220 /nfs/dbraw/zinc/35/72/20/599357220.db2.gz SBSSYAPXAGHJLN-SECBINFHSA-N -1 1 376.446 0.522 20 0 GCADMM COCCOC[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821691827 599372166 /nfs/dbraw/zinc/37/21/66/599372166.db2.gz GIAWVLMXOGAKES-NSHDSACASA-N -1 1 385.421 0.679 20 0 GCADMM COCCOC[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821691827 599372169 /nfs/dbraw/zinc/37/21/69/599372169.db2.gz GIAWVLMXOGAKES-NSHDSACASA-N -1 1 385.421 0.679 20 0 GCADMM O=C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccc(F)cc2N1 ZINC000823530282 599372800 /nfs/dbraw/zinc/37/28/00/599372800.db2.gz HWWZBIKXXVSRCI-UHFFFAOYSA-N -1 1 389.372 0.938 20 0 GCADMM O=C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccc(F)cc2N1 ZINC000823530282 599372802 /nfs/dbraw/zinc/37/28/02/599372802.db2.gz HWWZBIKXXVSRCI-UHFFFAOYSA-N -1 1 389.372 0.938 20 0 GCADMM NS(=O)(=O)c1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737770377 599410458 /nfs/dbraw/zinc/41/04/58/599410458.db2.gz VNOSXTFIJRRDPH-UHFFFAOYSA-N -1 1 386.441 0.236 20 0 GCADMM NS(=O)(=O)c1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737770377 599410460 /nfs/dbraw/zinc/41/04/60/599410460.db2.gz VNOSXTFIJRRDPH-UHFFFAOYSA-N -1 1 386.441 0.236 20 0 GCADMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)N1CCc2ccccc21 ZINC000737881389 599412592 /nfs/dbraw/zinc/41/25/92/599412592.db2.gz DLMVGCANFZBXAQ-UHFFFAOYSA-N -1 1 390.451 0.973 20 0 GCADMM COCCNS(=O)(=O)c1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737006650 599440703 /nfs/dbraw/zinc/44/07/03/599440703.db2.gz LOSMSBSCTRXIJC-UHFFFAOYSA-N -1 1 389.441 0.799 20 0 GCADMM COCCNS(=O)(=O)c1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737006650 599440704 /nfs/dbraw/zinc/44/07/04/599440704.db2.gz LOSMSBSCTRXIJC-UHFFFAOYSA-N -1 1 389.441 0.799 20 0 GCADMM O=c1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)occ1O ZINC000738379435 599445491 /nfs/dbraw/zinc/44/54/91/599445491.db2.gz IPFVEIFKKXPMPD-UHFFFAOYSA-N -1 1 385.384 0.713 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000737201735 599470704 /nfs/dbraw/zinc/47/07/04/599470704.db2.gz VEYHMVMWUXBISL-NZYNRKLISA-N -1 1 392.485 0.885 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000737201737 599470802 /nfs/dbraw/zinc/47/08/02/599470802.db2.gz VEYHMVMWUXBISL-ZLQMRGOUSA-N -1 1 392.485 0.885 20 0 GCADMM O=C(NC1CC1)C(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000823146266 599483763 /nfs/dbraw/zinc/48/37/63/599483763.db2.gz WLYYFYIUSHNMAG-UHFFFAOYSA-N -1 1 392.423 0.342 20 0 GCADMM O=C(NC1CC1)C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000823146266 599483764 /nfs/dbraw/zinc/48/37/64/599483764.db2.gz WLYYFYIUSHNMAG-UHFFFAOYSA-N -1 1 392.423 0.342 20 0 GCADMM O=S(=O)(CCNc1cc(-c2nnn[n-]2)nc2ccccc21)N1CCOCC1 ZINC000823561363 599510276 /nfs/dbraw/zinc/51/02/76/599510276.db2.gz DDUUCKHTQZNNSJ-UHFFFAOYSA-N -1 1 389.441 0.489 20 0 GCADMM O=S(=O)(CCNc1cc(-c2nn[n-]n2)nc2ccccc21)N1CCOCC1 ZINC000823561363 599510278 /nfs/dbraw/zinc/51/02/78/599510278.db2.gz DDUUCKHTQZNNSJ-UHFFFAOYSA-N -1 1 389.441 0.489 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000737487735 599553957 /nfs/dbraw/zinc/55/39/57/599553957.db2.gz LKTIDWFEIQBGBU-CQSZACIVSA-N -1 1 397.443 0.148 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000737487735 599553961 /nfs/dbraw/zinc/55/39/61/599553961.db2.gz LKTIDWFEIQBGBU-CQSZACIVSA-N -1 1 397.443 0.148 20 0 GCADMM O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000823214783 599554287 /nfs/dbraw/zinc/55/42/87/599554287.db2.gz AINBIQNAHUPFSE-UHFFFAOYSA-N -1 1 377.364 0.912 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCS(=O)(=O)[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737550718 599586932 /nfs/dbraw/zinc/58/69/32/599586932.db2.gz BWCGQIQLJRCMGI-WCBMZHEXSA-N -1 1 382.446 0.522 20 0 GCADMM CCN(CC(=O)NC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736511873 599593869 /nfs/dbraw/zinc/59/38/69/599593869.db2.gz UINFKNYEKOUEIE-UHFFFAOYSA-N -1 1 392.363 0.642 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1-c1nn[n-]n1 ZINC000737186556 599604451 /nfs/dbraw/zinc/60/44/51/599604451.db2.gz JPPBNGIGXNGWKB-MRVPVSSYSA-N -1 1 377.430 0.428 20 0 GCADMM Cn1ccnc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)c1=O ZINC000822693878 599686861 /nfs/dbraw/zinc/68/68/61/599686861.db2.gz MSAWEIMCXBRORA-UHFFFAOYSA-N -1 1 379.837 0.397 20 0 GCADMM Cn1ccnc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)c1=O ZINC000822693878 599686862 /nfs/dbraw/zinc/68/68/62/599686862.db2.gz MSAWEIMCXBRORA-UHFFFAOYSA-N -1 1 379.837 0.397 20 0 GCADMM COC(=O)c1sc2[nH]c(COc3nc(C)no3)nc(=O)c2c1CC(=O)[O-] ZINC000737724263 599705112 /nfs/dbraw/zinc/70/51/12/599705112.db2.gz XLFOGFVOJJHHJD-UHFFFAOYSA-N -1 1 380.338 0.669 20 0 GCADMM CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000737515912 599722689 /nfs/dbraw/zinc/72/26/89/599722689.db2.gz PUCBSPCZCRXTDJ-UHFFFAOYSA-N -1 1 395.435 0.996 20 0 GCADMM 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PWJOFOONOQKZLK-SMDDNHRTSA-N -1 1 375.381 0.852 20 0 GCADMM COC(=O)[C@@]1(C)CCN(CCS(=O)(=O)CCN2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000831090306 601924359 /nfs/dbraw/zinc/92/43/59/601924359.db2.gz ZRIOKSDNONCARL-IRXDYDNUSA-N -1 1 390.502 0.083 20 0 GCADMM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)c2[nH]nc3c2CCC3)cc1 ZINC000833261610 601976166 /nfs/dbraw/zinc/97/61/66/601976166.db2.gz DJWWRHFSDIEBHF-UHFFFAOYSA-N -1 1 377.422 0.828 20 0 GCADMM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000828432497 601977267 /nfs/dbraw/zinc/97/72/67/601977267.db2.gz NSDWGWRPYFFKKZ-ABAIWWIYSA-N -1 1 388.424 0.038 20 0 GCADMM COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1C(=O)[O-] ZINC000831394941 601977599 /nfs/dbraw/zinc/97/75/99/601977599.db2.gz WROKBPZGHWXYDA-BONVTDFDSA-N -1 1 389.408 0.709 20 0 GCADMM O=C([O-])c1ccc(S(=O)(=O)NCCc2nc[nH]n2)c(Br)c1 ZINC000096767267 601994937 /nfs/dbraw/zinc/99/49/37/601994937.db2.gz UFDMATGPXCVPAN-UHFFFAOYSA-N -1 1 375.204 0.786 20 0 GCADMM CCOCCO[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825604227 607551572 /nfs/dbraw/zinc/55/15/72/607551572.db2.gz FEUAXQAGSOOLFJ-NSHDSACASA-N -1 1 385.421 0.822 20 0 GCADMM CCOCCO[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825604227 607551575 /nfs/dbraw/zinc/55/15/75/607551575.db2.gz FEUAXQAGSOOLFJ-NSHDSACASA-N -1 1 385.421 0.822 20 0 GCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000827460836 602214838 /nfs/dbraw/zinc/21/48/38/602214838.db2.gz DECHOGXPYZIPHI-LBPRGKRZSA-N -1 1 398.485 0.546 20 0 GCADMM CN(C)C(=O)CCN1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000830547025 602239118 /nfs/dbraw/zinc/23/91/18/602239118.db2.gz BYMJPPSEERNIBS-UHFFFAOYSA-N -1 1 387.440 0.630 20 0 GCADMM CN(C)C(=O)CCN1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000830547387 602239160 /nfs/dbraw/zinc/23/91/60/602239160.db2.gz OEDSMKSLHXDMOR-AWEZNQCLSA-N -1 1 394.497 0.648 20 0 GCADMM CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000826083065 607556458 /nfs/dbraw/zinc/55/64/58/607556458.db2.gz HVDKEHYPQJCBKG-GXSJLCMTSA-N -1 1 397.461 0.027 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCn2cncc2C1 ZINC000825000221 607570266 /nfs/dbraw/zinc/57/02/66/607570266.db2.gz OGIHAHIBVVTIOH-STQMWFEESA-N -1 1 394.443 0.153 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCn2cncc2C1 ZINC000825000221 607570268 /nfs/dbraw/zinc/57/02/68/607570268.db2.gz OGIHAHIBVVTIOH-STQMWFEESA-N -1 1 394.443 0.153 20 0 GCADMM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825395482 607576434 /nfs/dbraw/zinc/57/64/34/607576434.db2.gz QAJZHCCRZSFICE-VIFPVBQESA-N -1 1 389.434 0.204 20 0 GCADMM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825395482 607576436 /nfs/dbraw/zinc/57/64/36/607576436.db2.gz QAJZHCCRZSFICE-VIFPVBQESA-N -1 1 389.434 0.204 20 0 GCADMM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825838606 607579737 /nfs/dbraw/zinc/57/97/37/607579737.db2.gz BABVMFYPHZLPCW-LLVKDONJSA-N -1 1 384.849 0.761 20 0 GCADMM NC(=O)Nc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826392941 607582596 /nfs/dbraw/zinc/58/25/96/607582596.db2.gz URDISMLIHJUDIF-UHFFFAOYSA-N -1 1 391.388 0.975 20 0 GCADMM NC(=O)Nc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826392941 607582598 /nfs/dbraw/zinc/58/25/98/607582598.db2.gz URDISMLIHJUDIF-UHFFFAOYSA-N -1 1 391.388 0.975 20 0 GCADMM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826429084 607583794 /nfs/dbraw/zinc/58/37/94/607583794.db2.gz UDIXILWVXYFNKY-NSHDSACASA-N -1 1 380.405 0.438 20 0 GCADMM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826429084 607583796 /nfs/dbraw/zinc/58/37/96/607583796.db2.gz UDIXILWVXYFNKY-NSHDSACASA-N -1 1 380.405 0.438 20 0 GCADMM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826428801 607584071 /nfs/dbraw/zinc/58/40/71/607584071.db2.gz LRTFEHPBWSMHPW-LBPRGKRZSA-N -1 1 380.405 0.438 20 0 GCADMM CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000825879167 607585328 /nfs/dbraw/zinc/58/53/28/607585328.db2.gz IOOKHOXKDHJEGR-UHFFFAOYSA-N -1 1 377.405 0.945 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccs1)c1ccc(-c2nnn[n-]2)s1 ZINC000826437194 607586661 /nfs/dbraw/zinc/58/66/61/607586661.db2.gz AAQWNEFAQYMWCX-UHFFFAOYSA-N -1 1 384.468 0.698 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826437194 607586662 /nfs/dbraw/zinc/58/66/62/607586662.db2.gz AAQWNEFAQYMWCX-UHFFFAOYSA-N -1 1 384.468 0.698 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826437507 607588857 /nfs/dbraw/zinc/58/88/57/607588857.db2.gz ONYYRWXIJKYSJF-UHFFFAOYSA-N -1 1 379.427 0.032 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826437507 607588859 /nfs/dbraw/zinc/58/88/59/607588859.db2.gz ONYYRWXIJKYSJF-UHFFFAOYSA-N -1 1 379.427 0.032 20 0 GCADMM CCC(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825034236 607593869 /nfs/dbraw/zinc/59/38/69/607593869.db2.gz GVFNKYNJGDKHNN-UHFFFAOYSA-N -1 1 382.421 0.639 20 0 GCADMM CCC(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825034236 607593871 /nfs/dbraw/zinc/59/38/71/607593871.db2.gz GVFNKYNJGDKHNN-UHFFFAOYSA-N -1 1 382.421 0.639 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000826437285 607590802 /nfs/dbraw/zinc/59/08/02/607590802.db2.gz DUEZFNFONZZZSM-UHFFFAOYSA-N -1 1 396.429 0.776 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000826437285 607590803 /nfs/dbraw/zinc/59/08/03/607590803.db2.gz DUEZFNFONZZZSM-UHFFFAOYSA-N -1 1 396.429 0.776 20 0 GCADMM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826482659 607597911 /nfs/dbraw/zinc/59/79/11/607597911.db2.gz MKWVOJAUYFXESA-SNVBAGLBSA-N -1 1 395.420 0.184 20 0 GCADMM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826482659 607597914 /nfs/dbraw/zinc/59/79/14/607597914.db2.gz MKWVOJAUYFXESA-SNVBAGLBSA-N -1 1 395.420 0.184 20 0 GCADMM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826483002 607598345 /nfs/dbraw/zinc/59/83/45/607598345.db2.gz XFNREOUCSMVWPK-LLVKDONJSA-N -1 1 395.420 0.184 20 0 GCADMM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826389071 607599510 /nfs/dbraw/zinc/59/95/10/607599510.db2.gz PHLBRODQUGJJMI-ZDUSSCGKSA-N -1 1 390.400 0.381 20 0 GCADMM C[C@](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)(C(N)=O)c1ccccc1 ZINC000824640357 607601710 /nfs/dbraw/zinc/60/17/10/607601710.db2.gz HBJFLZNFRIYLIE-MRXNPFEDSA-N -1 1 390.400 0.685 20 0 GCADMM C[C@](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)(C(N)=O)c1ccccc1 ZINC000824640357 607601711 /nfs/dbraw/zinc/60/17/11/607601711.db2.gz HBJFLZNFRIYLIE-MRXNPFEDSA-N -1 1 390.400 0.685 20 0 GCADMM CCOC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825517789 607601886 /nfs/dbraw/zinc/60/18/86/607601886.db2.gz MTGATVJHZPSMPG-UHFFFAOYSA-N -1 1 398.420 0.859 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(C2OCCO2)CC1 ZINC000826495492 607604317 /nfs/dbraw/zinc/60/43/17/607604317.db2.gz QZUIFPSGKYAGMS-UHFFFAOYSA-N -1 1 383.405 0.779 20 0 GCADMM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000826329192 607605526 /nfs/dbraw/zinc/60/55/26/607605526.db2.gz SVUXKRCQKKZSSE-SNVBAGLBSA-N -1 1 378.393 0.199 20 0 GCADMM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824216633 607606158 /nfs/dbraw/zinc/60/61/58/607606158.db2.gz UEJUXRJHKALFCA-LBPRGKRZSA-N -1 1 384.849 0.665 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824103871 607606211 /nfs/dbraw/zinc/60/62/11/607606211.db2.gz KMJVNGXKKNVWTO-AAEUAGOBSA-N -1 1 390.400 0.675 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824103871 607606212 /nfs/dbraw/zinc/60/62/12/607606212.db2.gz KMJVNGXKKNVWTO-AAEUAGOBSA-N -1 1 390.400 0.675 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824103874 607606269 /nfs/dbraw/zinc/60/62/69/607606269.db2.gz KMJVNGXKKNVWTO-YPMHNXCESA-N -1 1 390.400 0.675 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824103874 607606270 /nfs/dbraw/zinc/60/62/70/607606270.db2.gz KMJVNGXKKNVWTO-YPMHNXCESA-N -1 1 390.400 0.675 20 0 GCADMM O=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCN1 ZINC000826480441 607606865 /nfs/dbraw/zinc/60/68/65/607606865.db2.gz BLOXNNVYTYIRKD-UHFFFAOYSA-N -1 1 390.347 0.396 20 0 GCADMM C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824859576 607607969 /nfs/dbraw/zinc/60/79/69/607607969.db2.gz QQOYRVRCKHJXOO-ZETCQYMHSA-N -1 1 390.347 0.395 20 0 GCADMM C[C@H]([C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCOCC1 ZINC000824640455 607609960 /nfs/dbraw/zinc/60/99/60/607609960.db2.gz JAJPFZRDPOELMU-WDEREUQCSA-N -1 1 384.437 0.393 20 0 GCADMM C[C@H]([C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)N1CCOCC1 ZINC000824640455 607609962 /nfs/dbraw/zinc/60/99/62/607609962.db2.gz JAJPFZRDPOELMU-WDEREUQCSA-N -1 1 384.437 0.393 20 0 GCADMM CCOC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825517974 607613072 /nfs/dbraw/zinc/61/30/72/607613072.db2.gz QYQSTEQYTWJNDI-UHFFFAOYSA-N -1 1 379.320 0.727 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000826495911 607614121 /nfs/dbraw/zinc/61/41/21/607614121.db2.gz GFOXFTNZLXUFBW-NSHDSACASA-N -1 1 393.404 0.292 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000826495911 607614123 /nfs/dbraw/zinc/61/41/23/607614123.db2.gz GFOXFTNZLXUFBW-NSHDSACASA-N -1 1 393.404 0.292 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825838585 607616808 /nfs/dbraw/zinc/61/68/08/607616808.db2.gz AGRVLEXVKSOOIL-ZYHUDNBSSA-N -1 1 396.448 0.931 20 0 GCADMM CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824124619 607618063 /nfs/dbraw/zinc/61/80/63/607618063.db2.gz WRTUUFODRAILDM-QHCPKHFHSA-N -1 1 375.451 0.831 20 0 GCADMM CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824124619 607618064 /nfs/dbraw/zinc/61/80/64/607618064.db2.gz WRTUUFODRAILDM-QHCPKHFHSA-N -1 1 375.451 0.831 20 0 GCADMM O=S(=O)(NCCOC[C@@H]1CCCO1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491754 607618141 /nfs/dbraw/zinc/61/81/41/607618141.db2.gz ZHEALBZCWKNFSY-JTQLQIEISA-N -1 1 387.849 0.994 20 0 GCADMM O=S(=O)(NCCOC[C@@H]1CCCO1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491754 607618143 /nfs/dbraw/zinc/61/81/43/607618143.db2.gz ZHEALBZCWKNFSY-JTQLQIEISA-N -1 1 387.849 0.994 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCS1(=O)=O ZINC000824994888 607619516 /nfs/dbraw/zinc/61/95/16/607619516.db2.gz WNEJGHUCSPMKIG-QMMMGPOBSA-N -1 1 391.862 0.328 20 0 GCADMM O=C([O-])N1CCC[C@@H](NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000739401529 603304322 /nfs/dbraw/zinc/30/43/22/603304322.db2.gz CGRXXELQHNRLOG-IAGOWNOFSA-N -1 1 376.457 0.847 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCCS(=O)(=O)CC1 ZINC000826497157 607620817 /nfs/dbraw/zinc/62/08/17/607620817.db2.gz WGDDFDXSXZGZSC-UHFFFAOYSA-N -1 1 391.862 0.329 20 0 GCADMM NC(=O)c1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000826392775 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386.865 0.207 20 0 GCADMM O=S(=O)(NCCSCCCO)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491489 607632353 /nfs/dbraw/zinc/63/23/53/607632353.db2.gz LVCFIWJQGLTHSW-UHFFFAOYSA-N -1 1 377.879 0.914 20 0 GCADMM O=S(=O)(NCCSCCCO)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491489 607632355 /nfs/dbraw/zinc/63/23/55/607632355.db2.gz LVCFIWJQGLTHSW-UHFFFAOYSA-N -1 1 377.879 0.914 20 0 GCADMM COc1ccccc1[C@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826218558 607639448 /nfs/dbraw/zinc/63/94/48/607639448.db2.gz GGSKSSSPSWVKEU-ZDUSSCGKSA-N -1 1 376.398 0.282 20 0 GCADMM COc1ccccc1[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826218558 607639449 /nfs/dbraw/zinc/63/94/49/607639449.db2.gz GGSKSSSPSWVKEU-ZDUSSCGKSA-N -1 1 376.398 0.282 20 0 GCADMM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826391374 607640053 /nfs/dbraw/zinc/64/00/53/607640053.db2.gz IQOZFNWMKRGNSD-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826391374 607640054 /nfs/dbraw/zinc/64/00/54/607640054.db2.gz IQOZFNWMKRGNSD-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM COC(=O)[C@@H](COC(C)C)N(C)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826103808 607642542 /nfs/dbraw/zinc/64/25/42/607642542.db2.gz LHWYGYWYUAZPBX-GFCCVEGCSA-N -1 1 394.432 0.913 20 0 GCADMM CSC[C@@H](CCO)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826228523 607642971 /nfs/dbraw/zinc/64/29/71/607642971.db2.gz RSHSLTPTBBAYIY-MRVPVSSYSA-N -1 1 377.879 0.912 20 0 GCADMM CSC[C@@H](CCO)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826228523 607642972 /nfs/dbraw/zinc/64/29/72/607642972.db2.gz RSHSLTPTBBAYIY-MRVPVSSYSA-N -1 1 377.879 0.912 20 0 GCADMM O=S(=O)(NCCCOC1CCOCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491076 607646331 /nfs/dbraw/zinc/64/63/31/607646331.db2.gz SNZBRBGZGPPEJT-UHFFFAOYSA-N -1 1 385.421 0.870 20 0 GCADMM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1=O ZINC000824900978 607653525 /nfs/dbraw/zinc/65/35/25/607653525.db2.gz XBAAANGYSLJUGA-YWVKMMECSA-N -1 1 396.860 0.808 20 0 GCADMM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1=O ZINC000824900978 607653526 /nfs/dbraw/zinc/65/35/26/607653526.db2.gz XBAAANGYSLJUGA-YWVKMMECSA-N -1 1 396.860 0.808 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]1CN1CCOCC1 ZINC000826496236 607651710 /nfs/dbraw/zinc/65/17/10/607651710.db2.gz PGOICYWLCRSPFZ-GFCCVEGCSA-N -1 1 396.448 0.491 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]1CN1CCOCC1 ZINC000826496236 607651711 /nfs/dbraw/zinc/65/17/11/607651711.db2.gz PGOICYWLCRSPFZ-GFCCVEGCSA-N -1 1 396.448 0.491 20 0 GCADMM CC(=O)N[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823989073 607662724 /nfs/dbraw/zinc/66/27/24/607662724.db2.gz MATORBNXQDSPTH-CYBMUJFWSA-N -1 1 399.436 0.518 20 0 GCADMM CC(=O)N[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823989073 607662726 /nfs/dbraw/zinc/66/27/26/607662726.db2.gz MATORBNXQDSPTH-CYBMUJFWSA-N -1 1 399.436 0.518 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000824994196 607665488 /nfs/dbraw/zinc/66/54/88/607665488.db2.gz UFMPBBWHNGYGST-AAEUAGOBSA-N -1 1 396.448 0.347 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000824994196 607665490 /nfs/dbraw/zinc/66/54/90/607665490.db2.gz UFMPBBWHNGYGST-AAEUAGOBSA-N -1 1 396.448 0.347 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000824994198 607665622 /nfs/dbraw/zinc/66/56/22/607665622.db2.gz UFMPBBWHNGYGST-WCQYABFASA-N -1 1 396.448 0.347 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000824994198 607665624 /nfs/dbraw/zinc/66/56/24/607665624.db2.gz UFMPBBWHNGYGST-WCQYABFASA-N -1 1 396.448 0.347 20 0 GCADMM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825750681 607668881 /nfs/dbraw/zinc/66/88/81/607668881.db2.gz VMKDCXQXFGKSMU-NSHDSACASA-N -1 1 392.420 0.973 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H]2CCCC[C@H]2N1 ZINC000826481121 607671188 /nfs/dbraw/zinc/67/11/88/607671188.db2.gz IHOAJDADJGWPDG-VXGBXAGGSA-N -1 1 380.405 0.438 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481128 607671279 /nfs/dbraw/zinc/67/12/79/607671279.db2.gz INIAMOOPEMDQIC-NWDGAFQWSA-N -1 1 396.860 0.952 20 0 GCADMM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825471524 607672092 /nfs/dbraw/zinc/67/20/92/607672092.db2.gz VVWXNQSVIMHXCR-JTQLQIEISA-N -1 1 383.409 0.088 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nnc2n1CCCC2 ZINC000824640740 607673512 /nfs/dbraw/zinc/67/35/12/607673512.db2.gz NUIRVTOYWUTNMH-VIFPVBQESA-N -1 1 392.420 0.973 20 0 GCADMM COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826103677 607674378 /nfs/dbraw/zinc/67/43/78/607674378.db2.gz KKQHSJIDWOAZLB-ZETCQYMHSA-N -1 1 393.347 0.973 20 0 GCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000827379675 604297015 /nfs/dbraw/zinc/29/70/15/604297015.db2.gz JOFWAHQYHOJUNQ-BLVKFPJESA-N -1 1 388.424 0.362 20 0 GCADMM C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000830935222 604318454 /nfs/dbraw/zinc/31/84/54/604318454.db2.gz SPPWHYXJVSRHOT-INIZCTEOSA-N -1 1 390.440 0.920 20 0 GCADMM O=C([O-])c1csc(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)c1 ZINC000833150065 604503424 /nfs/dbraw/zinc/50/34/24/604503424.db2.gz BGBKKUFWJGTHGC-UHFFFAOYSA-N -1 1 381.454 0.956 20 0 GCADMM CCNC(=O)NC(=O)[C@@H](C)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833656618 604618154 /nfs/dbraw/zinc/61/81/54/604618154.db2.gz FQASATWHXIZURZ-AUUYWEPGSA-N -1 1 376.457 0.930 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC[C@H]1N1CCN(C)CC1 ZINC000833631831 604701408 /nfs/dbraw/zinc/70/14/08/604701408.db2.gz SJQNERIOGPPDQV-CZUORRHYSA-N -1 1 382.486 0.426 20 0 GCADMM O=C([O-])C1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 ZINC000833785607 604754568 /nfs/dbraw/zinc/75/45/68/604754568.db2.gz IGVYIAORYWTAEV-UHFFFAOYSA-N -1 1 398.437 0.228 20 0 GCADMM COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000831741706 604826548 /nfs/dbraw/zinc/82/65/48/604826548.db2.gz RYOCPWXHFBHNKN-GFCCVEGCSA-N -1 1 399.831 0.579 20 0 GCADMM CCCCNC(=O)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825285226 607717284 /nfs/dbraw/zinc/71/72/84/607717284.db2.gz NGZMNDNJTZBWIF-UHFFFAOYSA-N -1 1 384.400 0.511 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000833767638 604855791 /nfs/dbraw/zinc/85/57/91/604855791.db2.gz LQKSDQMNKINLTG-HOTGVXAUSA-N -1 1 376.388 0.734 20 0 GCADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000833420984 604929037 /nfs/dbraw/zinc/92/90/37/604929037.db2.gz FKMXRLGDAVPWFW-SNVBAGLBSA-N -1 1 378.429 0.872 20 0 GCADMM COC[C@](C)(CC(=O)OC)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833722093 604954168 /nfs/dbraw/zinc/95/41/68/604954168.db2.gz ZODVKGQELNGEKN-BEFAXECRSA-N -1 1 378.425 0.582 20 0 GCADMM O=C([O-])Cn1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000833275236 604958077 /nfs/dbraw/zinc/95/80/77/604958077.db2.gz BYKKMQRVLPUPIA-HZPDHXFCSA-N -1 1 387.440 0.972 20 0 GCADMM COc1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])cc(NS(C)(=O)=O)c1OC ZINC000833727437 604994940 /nfs/dbraw/zinc/99/49/40/604994940.db2.gz YVEWURLMTMZQAT-VIFPVBQESA-N -1 1 396.368 0.914 20 0 GCADMM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000833722380 605005532 /nfs/dbraw/zinc/00/55/32/605005532.db2.gz SRLRAFXUXUFGEA-OAHLLOKOSA-N -1 1 376.406 0.637 20 0 GCADMM CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000833488575 605016074 /nfs/dbraw/zinc/01/60/74/605016074.db2.gz RNTMSHSEKCSJFK-HNNXBMFYSA-N -1 1 379.413 0.410 20 0 GCADMM CCN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)[C@@H](C)C1 ZINC000833657964 605041403 /nfs/dbraw/zinc/04/14/03/605041403.db2.gz OQERZUVDHNPMQE-IUCAKERBSA-N -1 1 376.456 0.851 20 0 GCADMM CCN1C[C@H](NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])[C@@H](C)C1 ZINC000833657292 605041520 /nfs/dbraw/zinc/04/15/20/605041520.db2.gz MPSZMLAZYCRVFL-IUCAKERBSA-N -1 1 376.456 0.851 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1nnc2n1CCCCC2 ZINC000833621936 605043480 /nfs/dbraw/zinc/04/34/80/605043480.db2.gz CCABJTDENAGTLQ-CQSZACIVSA-N -1 1 378.477 0.737 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000833627391 605051410 /nfs/dbraw/zinc/05/14/10/605051410.db2.gz XBLRBOCUPDGMBV-LBPRGKRZSA-N -1 1 398.410 0.885 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000833624939 605051945 /nfs/dbraw/zinc/05/19/45/605051945.db2.gz MDOMLGHDRYOYGG-CYBMUJFWSA-N -1 1 380.420 0.746 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000833767351 605078158 /nfs/dbraw/zinc/07/81/58/605078158.db2.gz AFJYCRSUGOUKAF-RNCFNFMXSA-N -1 1 378.335 0.853 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000833618512 605095701 /nfs/dbraw/zinc/09/57/01/605095701.db2.gz BUKYHRHZADUJLS-CVEARBPZSA-N -1 1 380.489 0.922 20 0 GCADMM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-] ZINC000833638339 605118080 /nfs/dbraw/zinc/11/80/80/605118080.db2.gz IOYCZQBDIHMOLT-MKBNYLNASA-N -1 1 385.486 0.861 20 0 GCADMM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-] ZINC000833638340 605118208 /nfs/dbraw/zinc/11/82/08/605118208.db2.gz IOYCZQBDIHMOLT-MQIPJXDCSA-N -1 1 385.486 0.861 20 0 GCADMM Cc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000833742372 605163684 /nfs/dbraw/zinc/16/36/84/605163684.db2.gz KSAINPGDFQEECT-JTQLQIEISA-N -1 1 375.385 0.365 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000833618574 605165184 /nfs/dbraw/zinc/16/51/84/605165184.db2.gz DAZAAIUKUGQMBS-CZUORRHYSA-N -1 1 387.440 0.114 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000833626580 605166282 /nfs/dbraw/zinc/16/62/82/605166282.db2.gz PPZGPABLEZPUDM-CYBMUJFWSA-N -1 1 388.424 0.466 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000833623124 605204757 /nfs/dbraw/zinc/20/47/57/605204757.db2.gz DOLDAGHCQMLJRW-BLVKFPJESA-N -1 1 388.424 0.362 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000833624596 605206164 /nfs/dbraw/zinc/20/61/64/605206164.db2.gz VMUUMUAOSPRMLJ-HNNXBMFYSA-N -1 1 388.468 0.941 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000833625286 605206900 /nfs/dbraw/zinc/20/69/00/605206900.db2.gz KRBSKLRJZFKBFV-BLVKFPJESA-N -1 1 388.424 0.362 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCN1CCC(=O)[O-] ZINC000833621497 605252481 /nfs/dbraw/zinc/25/24/81/605252481.db2.gz KBYJQALPKXPKDM-ZDUSSCGKSA-N -1 1 395.481 0.748 20 0 GCADMM Cc1sc2ncc(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)c(=O)n2c1C ZINC000833758618 605268371 /nfs/dbraw/zinc/26/83/71/605268371.db2.gz HTSDUDRBMUUGGT-SNVBAGLBSA-N -1 1 378.454 0.994 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833522770 605276003 /nfs/dbraw/zinc/27/60/03/605276003.db2.gz FLXXSCKFSKNXDK-VXGBXAGGSA-N -1 1 389.499 0.422 20 0 GCADMM C[C@H]1CN(C(=O)Cc2csc(N3CCCC3=O)n2)CCN1CCC(=O)[O-] ZINC000833621009 605276650 /nfs/dbraw/zinc/27/66/50/605276650.db2.gz HKRBBQAPNHKRIW-LBPRGKRZSA-N -1 1 380.470 0.820 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CCN1CCC(=O)[O-] ZINC000833621661 605277690 /nfs/dbraw/zinc/27/76/90/605277690.db2.gz LAEMZZKRQMYVGY-CYBMUJFWSA-N -1 1 388.424 0.359 20 0 GCADMM CS[C@H](C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826226304 607762889 /nfs/dbraw/zinc/76/28/89/607762889.db2.gz WXXBCBUZRHFMSK-WDEREUQCSA-N -1 1 377.478 0.628 20 0 GCADMM CS[C@H](C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826226304 607762890 /nfs/dbraw/zinc/76/28/90/607762890.db2.gz WXXBCBUZRHFMSK-WDEREUQCSA-N -1 1 377.478 0.628 20 0 GCADMM CS[C@@H](C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826226302 607763047 /nfs/dbraw/zinc/76/30/47/607763047.db2.gz WXXBCBUZRHFMSK-MNOVXSKESA-N -1 1 377.478 0.628 20 0 GCADMM CS[C@@H](C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826226302 607763048 /nfs/dbraw/zinc/76/30/48/607763048.db2.gz WXXBCBUZRHFMSK-MNOVXSKESA-N -1 1 377.478 0.628 20 0 GCADMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824886420 607767753 /nfs/dbraw/zinc/76/77/53/607767753.db2.gz YPEJKQCRSVANLS-QWRGUYRKSA-N -1 1 391.436 0.220 20 0 GCADMM O=C([O-])N1CCC[C@H](NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000739401531 605662625 /nfs/dbraw/zinc/66/26/25/605662625.db2.gz CGRXXELQHNRLOG-IRXDYDNUSA-N -1 1 376.457 0.847 20 0 GCADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000833724435 605919959 /nfs/dbraw/zinc/91/99/59/605919959.db2.gz MUPIHLVVINJBLR-JTQLQIEISA-N -1 1 385.367 0.829 20 0 GCADMM CNC(=O)c1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nn1 ZINC000821635199 606035202 /nfs/dbraw/zinc/03/52/02/606035202.db2.gz QWJWHMGEMJPFRT-UHFFFAOYSA-N -1 1 396.415 0.208 20 0 GCADMM COC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821655923 606136364 /nfs/dbraw/zinc/13/63/64/606136364.db2.gz UFZSBMQSKPOJRM-UHFFFAOYSA-N -1 1 379.398 0.497 20 0 GCADMM COC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821655923 606136366 /nfs/dbraw/zinc/13/63/66/606136366.db2.gz UFZSBMQSKPOJRM-UHFFFAOYSA-N -1 1 379.398 0.497 20 0 GCADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820270095 606155060 /nfs/dbraw/zinc/15/50/60/606155060.db2.gz UYYZLPBGFBIWRY-VIFPVBQESA-N -1 1 379.425 0.977 20 0 GCADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820270095 606155062 /nfs/dbraw/zinc/15/50/62/606155062.db2.gz UYYZLPBGFBIWRY-VIFPVBQESA-N -1 1 379.425 0.977 20 0 GCADMM Cc1cc(=O)c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1-c1ccccc1F ZINC000822162084 606155344 /nfs/dbraw/zinc/15/53/44/606155344.db2.gz XYUIQJMGSKCYBB-UHFFFAOYSA-N -1 1 395.358 0.846 20 0 GCADMM Cc1cc(=O)c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1-c1ccccc1F ZINC000822162084 606155345 /nfs/dbraw/zinc/15/53/45/606155345.db2.gz XYUIQJMGSKCYBB-UHFFFAOYSA-N -1 1 395.358 0.846 20 0 GCADMM CC(C)N(C)C(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820112438 606156260 /nfs/dbraw/zinc/15/62/60/606156260.db2.gz UJGOPRHPUUIXLD-UHFFFAOYSA-N -1 1 375.437 0.711 20 0 GCADMM CC(C)N(C)C(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820112438 606156262 /nfs/dbraw/zinc/15/62/62/606156262.db2.gz UJGOPRHPUUIXLD-UHFFFAOYSA-N -1 1 375.437 0.711 20 0 GCADMM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821594096 606164039 /nfs/dbraw/zinc/16/40/39/606164039.db2.gz YMQSZDFDYDYYGD-UHFFFAOYSA-N -1 1 391.342 0.981 20 0 GCADMM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821594096 606164040 /nfs/dbraw/zinc/16/40/40/606164040.db2.gz YMQSZDFDYDYYGD-UHFFFAOYSA-N -1 1 391.342 0.981 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(=O)N2CCCc3ccccc32)n1 ZINC000822614990 606164271 /nfs/dbraw/zinc/16/42/71/606164271.db2.gz YTVPRNFRMQCOHC-UHFFFAOYSA-N -1 1 381.400 0.701 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(=O)N2CCCc3ccccc32)n1 ZINC000822614990 606164273 /nfs/dbraw/zinc/16/42/73/606164273.db2.gz YTVPRNFRMQCOHC-UHFFFAOYSA-N -1 1 381.400 0.701 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000822608203 606165960 /nfs/dbraw/zinc/16/59/60/606165960.db2.gz AOFCGCSBOSMGHF-GFCCVEGCSA-N -1 1 375.437 0.319 20 0 GCADMM CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821009518 606166181 /nfs/dbraw/zinc/16/61/81/606166181.db2.gz UPPWTNCFCWSGEZ-LLVKDONJSA-N -1 1 375.437 0.760 20 0 GCADMM CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821009518 606166183 /nfs/dbraw/zinc/16/61/83/606166183.db2.gz UPPWTNCFCWSGEZ-LLVKDONJSA-N -1 1 375.437 0.760 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)n1 ZINC000822619856 606166499 /nfs/dbraw/zinc/16/64/99/606166499.db2.gz ILAAIJPDXVXRGL-UHFFFAOYSA-N -1 1 376.402 0.325 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)n1 ZINC000822619856 606166500 /nfs/dbraw/zinc/16/65/00/606166500.db2.gz ILAAIJPDXVXRGL-UHFFFAOYSA-N -1 1 376.402 0.325 20 0 GCADMM COC(=O)c1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1OC ZINC000821667184 606166954 /nfs/dbraw/zinc/16/69/54/606166954.db2.gz YTBKDCSRIQMRMX-UHFFFAOYSA-N -1 1 386.372 0.717 20 0 GCADMM COC(=O)c1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1OC ZINC000821667184 606166956 /nfs/dbraw/zinc/16/69/56/606166956.db2.gz YTBKDCSRIQMRMX-UHFFFAOYSA-N -1 1 386.372 0.717 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCS(=O)(=O)c2ccccc2)n1 ZINC000822620530 606167764 /nfs/dbraw/zinc/16/77/64/606167764.db2.gz VLERJUGPUKKKHY-UHFFFAOYSA-N -1 1 376.402 0.196 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCS(=O)(=O)c2ccccc2)n1 ZINC000822620530 606167765 /nfs/dbraw/zinc/16/77/65/606167765.db2.gz VLERJUGPUKKKHY-UHFFFAOYSA-N -1 1 376.402 0.196 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(=O)N1c1ccccc1 ZINC000820657087 606168377 /nfs/dbraw/zinc/16/83/77/606168377.db2.gz JEQWGNLCWDXYBU-ZWNOBZJWSA-N -1 1 381.400 0.916 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(=O)N1c1ccccc1 ZINC000820657087 606168379 /nfs/dbraw/zinc/16/83/79/606168379.db2.gz JEQWGNLCWDXYBU-ZWNOBZJWSA-N -1 1 381.400 0.916 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCO)CCOCC(F)(F)F)n1 ZINC000822604785 606169692 /nfs/dbraw/zinc/16/96/92/606169692.db2.gz KREALDSDHBXPEU-UHFFFAOYSA-N -1 1 378.315 0.005 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCO)CCOCC(F)(F)F)n1 ZINC000822604785 606169694 /nfs/dbraw/zinc/16/96/94/606169694.db2.gz KREALDSDHBXPEU-UHFFFAOYSA-N -1 1 378.315 0.005 20 0 GCADMM COc1cc(OC)cc([C@@H](O)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821724794 606170968 /nfs/dbraw/zinc/17/09/68/606170968.db2.gz YKIUQCHFUXVUCL-ZDUSSCGKSA-N -1 1 388.388 0.473 20 0 GCADMM COc1cc(OC)cc([C@@H](O)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821724794 606170970 /nfs/dbraw/zinc/17/09/70/606170970.db2.gz YKIUQCHFUXVUCL-ZDUSSCGKSA-N -1 1 388.388 0.473 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCN(Cc3cscn3)CC2)n1 ZINC000822609848 606173580 /nfs/dbraw/zinc/17/35/80/606173580.db2.gz WYRRUIAUARIJOC-UHFFFAOYSA-N -1 1 388.461 0.797 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCN(Cc3cscn3)CC2)n1 ZINC000822609848 606173581 /nfs/dbraw/zinc/17/35/81/606173581.db2.gz WYRRUIAUARIJOC-UHFFFAOYSA-N -1 1 388.461 0.797 20 0 GCADMM C/C=C(\C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000820827666 606191559 /nfs/dbraw/zinc/19/15/59/606191559.db2.gz VQABRLSVPGPPPW-ONNFQVAWSA-N -1 1 375.389 0.321 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](O)COCC1CC1 ZINC000822004261 606193950 /nfs/dbraw/zinc/19/39/50/606193950.db2.gz DHCJCWOFTAHQQW-CYBMUJFWSA-N -1 1 390.444 0.420 20 0 GCADMM C[C@@]1(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2)NC(=O)NC1=O ZINC000820629596 606196897 /nfs/dbraw/zinc/19/68/97/606196897.db2.gz YKQKXNZOPOIKLM-SFHVURJKSA-N -1 1 393.363 0.879 20 0 GCADMM C[C@@]1(C2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613253 606198162 /nfs/dbraw/zinc/19/81/62/606198162.db2.gz XSUJQFDJWFQOST-ZDUSSCGKSA-N -1 1 382.837 0.791 20 0 GCADMM C[C@@]1(C2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613253 606198163 /nfs/dbraw/zinc/19/81/63/606198163.db2.gz XSUJQFDJWFQOST-ZDUSSCGKSA-N -1 1 382.837 0.791 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(OCC(F)F)cc2)n(C)c1=O ZINC000822600422 606242172 /nfs/dbraw/zinc/24/21/72/606242172.db2.gz NZIZHUIZWCFCIN-UHFFFAOYSA-N -1 1 379.327 0.652 20 0 GCADMM CNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)o1 ZINC000821637476 606292987 /nfs/dbraw/zinc/29/29/87/606292987.db2.gz HJUWMULHNAOHIU-UHFFFAOYSA-N -1 1 378.370 0.634 20 0 GCADMM Cn1ncc2c1nc(CCC(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])[nH]c2=O ZINC000822708689 606296474 /nfs/dbraw/zinc/29/64/74/606296474.db2.gz AZDBBUUSNUPOLZ-UHFFFAOYSA-N -1 1 381.356 0.526 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCC[C@@H](O)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821979689 606297575 /nfs/dbraw/zinc/29/75/75/606297575.db2.gz UZHJFVZBYYUUEU-SSDOTTSWSA-N -1 1 378.336 0.732 20 0 GCADMM CCc1nn(C[C@H]2CCCN(S(C)(=O)=O)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518446 606332721 /nfs/dbraw/zinc/33/27/21/606332721.db2.gz UNQNQYLQKYADKD-NSHDSACASA-N -1 1 395.489 0.220 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823600213 606335045 /nfs/dbraw/zinc/33/50/45/606335045.db2.gz DKYJYFTUJXYOAF-GFCCVEGCSA-N -1 1 397.432 0.964 20 0 GCADMM CCCCO[C@@H]1C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821071727 606422301 /nfs/dbraw/zinc/42/23/01/606422301.db2.gz KRWNQEZTGJRRLX-NWDGAFQWSA-N -1 1 391.476 0.684 20 0 GCADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2c3ccccc3nnc2-c2nnn[n-]2)C1=O ZINC000821620487 606422638 /nfs/dbraw/zinc/42/26/38/606422638.db2.gz LJEDICZKQAKEEK-XTZNXHDOSA-N -1 1 393.411 0.942 20 0 GCADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2c3ccccc3nnc2-c2nn[n-]n2)C1=O ZINC000821620487 606422640 /nfs/dbraw/zinc/42/26/40/606422640.db2.gz LJEDICZKQAKEEK-XTZNXHDOSA-N -1 1 393.411 0.942 20 0 GCADMM CC[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1cccc(C)c1 ZINC000820909363 606427521 /nfs/dbraw/zinc/42/75/21/606427521.db2.gz VALSEFRKLIHSNI-LBPRGKRZSA-N -1 1 385.428 0.842 20 0 GCADMM O=C(CSC[C@H](O)CO)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823055176 606429980 /nfs/dbraw/zinc/42/99/80/606429980.db2.gz JVELYZWNDVMKHI-LLVKDONJSA-N -1 1 375.414 0.077 20 0 GCADMM O=C(CSC[C@H](O)CO)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823055176 606429982 /nfs/dbraw/zinc/42/99/82/606429982.db2.gz JVELYZWNDVMKHI-LLVKDONJSA-N -1 1 375.414 0.077 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(c3ccc(F)cc3)CC2)n(C)c1=O ZINC000822599631 606432681 /nfs/dbraw/zinc/43/26/81/606432681.db2.gz GLSOAHXETUQXKQ-UHFFFAOYSA-N -1 1 385.403 0.787 20 0 GCADMM C[C@]1([C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607196 606433939 /nfs/dbraw/zinc/43/39/39/606433939.db2.gz MFVJSXNNFKRIHA-MLCYQJTMSA-N -1 1 393.411 0.624 20 0 GCADMM C[C@]1([C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607196 606433940 /nfs/dbraw/zinc/43/39/40/606433940.db2.gz MFVJSXNNFKRIHA-MLCYQJTMSA-N -1 1 393.411 0.624 20 0 GCADMM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821657434 606434127 /nfs/dbraw/zinc/43/41/27/606434127.db2.gz NVQBYUIVMIRCCX-JTQLQIEISA-N -1 1 387.805 0.083 20 0 GCADMM C[C@]1([C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607197 606434423 /nfs/dbraw/zinc/43/44/23/606434423.db2.gz MFVJSXNNFKRIHA-XTZNXHDOSA-N -1 1 393.411 0.624 20 0 GCADMM C[C@]1([C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607197 606434424 /nfs/dbraw/zinc/43/44/24/606434424.db2.gz MFVJSXNNFKRIHA-XTZNXHDOSA-N -1 1 393.411 0.624 20 0 GCADMM Cc1cc(C)n(-c2cncc(NCCCc3[nH]nc(N)c3-c3nn[n-]n3)n2)n1 ZINC000822197883 606441508 /nfs/dbraw/zinc/44/15/08/606441508.db2.gz SMSUNYFFQIZDTI-UHFFFAOYSA-N -1 1 380.420 0.809 20 0 GCADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000821620444 606444928 /nfs/dbraw/zinc/44/49/28/606444928.db2.gz JYERGZLLYZBURZ-VXJOIVPMSA-N -1 1 375.414 0.379 20 0 GCADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821620444 606444930 /nfs/dbraw/zinc/44/49/30/606444930.db2.gz JYERGZLLYZBURZ-VXJOIVPMSA-N -1 1 375.414 0.379 20 0 GCADMM NC(=O)c1cccnc1N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000822889890 606463174 /nfs/dbraw/zinc/46/31/74/606463174.db2.gz HGPUMVGCXAKDLF-UHFFFAOYSA-N -1 1 385.819 0.736 20 0 GCADMM NC(=O)c1cccnc1N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000822889890 606463176 /nfs/dbraw/zinc/46/31/76/606463176.db2.gz HGPUMVGCXAKDLF-UHFFFAOYSA-N -1 1 385.819 0.736 20 0 GCADMM C[C@]1([C@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)NC(=O)NC1=O ZINC000820612755 606469865 /nfs/dbraw/zinc/46/98/65/606469865.db2.gz IHFBQEAGEBMCJT-VXJOIVPMSA-N -1 1 376.808 0.730 20 0 GCADMM C[C@]1([C@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)NC(=O)NC1=O ZINC000820612755 606469866 /nfs/dbraw/zinc/46/98/66/606469866.db2.gz IHFBQEAGEBMCJT-VXJOIVPMSA-N -1 1 376.808 0.730 20 0 GCADMM C[C@@]1([C@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)NC(=O)NC1=O ZINC000820612753 606470016 /nfs/dbraw/zinc/47/00/16/606470016.db2.gz IHFBQEAGEBMCJT-AYVTZFPOSA-N -1 1 376.808 0.730 20 0 GCADMM C[C@@]1([C@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)NC(=O)NC1=O ZINC000820612753 606470018 /nfs/dbraw/zinc/47/00/18/606470018.db2.gz IHFBQEAGEBMCJT-AYVTZFPOSA-N -1 1 376.808 0.730 20 0 GCADMM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823187697 606494225 /nfs/dbraw/zinc/49/42/25/606494225.db2.gz NYJBXZXFXHGJCF-UHFFFAOYSA-N -1 1 389.441 0.913 20 0 GCADMM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823187697 606494227 /nfs/dbraw/zinc/49/42/27/606494227.db2.gz NYJBXZXFXHGJCF-UHFFFAOYSA-N -1 1 389.441 0.913 20 0 GCADMM CCCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821066808 606519742 /nfs/dbraw/zinc/51/97/42/606519742.db2.gz XJCCPJUIRDLDBH-UHFFFAOYSA-N -1 1 377.474 0.602 20 0 GCADMM CCCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821066808 606519743 /nfs/dbraw/zinc/51/97/43/606519743.db2.gz XJCCPJUIRDLDBH-UHFFFAOYSA-N -1 1 377.474 0.602 20 0 GCADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)N1CCCCC1 ZINC000822996213 606521842 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O=C(CNC(=O)c1ccc(Br)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823005062 606530817 /nfs/dbraw/zinc/53/08/17/606530817.db2.gz AAVZIJYJKQSNGB-UHFFFAOYSA-N -1 1 391.189 0.721 20 0 GCADMM O=C(CNC(=O)c1ccc(Br)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823005062 606530818 /nfs/dbraw/zinc/53/08/18/606530818.db2.gz AAVZIJYJKQSNGB-UHFFFAOYSA-N -1 1 391.189 0.721 20 0 GCADMM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821690910 606535364 /nfs/dbraw/zinc/53/53/64/606535364.db2.gz AYPYNDOXAWCEDG-WDEREUQCSA-N -1 1 378.458 0.932 20 0 GCADMM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821690910 606535365 /nfs/dbraw/zinc/53/53/65/606535365.db2.gz AYPYNDOXAWCEDG-WDEREUQCSA-N -1 1 378.458 0.932 20 0 GCADMM O=C(Cn1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1)N1CCOCC1 ZINC000823372433 606565544 /nfs/dbraw/zinc/56/55/44/606565544.db2.gz CXVBVAYQOGEJPA-UHFFFAOYSA-N -1 1 388.413 0.236 20 0 GCADMM O=C(Cn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1)N1CCOCC1 ZINC000823372433 606565545 /nfs/dbraw/zinc/56/55/45/606565545.db2.gz CXVBVAYQOGEJPA-UHFFFAOYSA-N -1 1 388.413 0.236 20 0 GCADMM COCCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000821691253 606572731 /nfs/dbraw/zinc/57/27/31/606572731.db2.gz NXDSXTBXDITTRK-UHFFFAOYSA-N -1 1 376.402 0.140 20 0 GCADMM COCCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000821691253 606572732 /nfs/dbraw/zinc/57/27/32/606572732.db2.gz NXDSXTBXDITTRK-UHFFFAOYSA-N -1 1 376.402 0.140 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)C(=O)N(C)C ZINC000822459099 606581766 /nfs/dbraw/zinc/58/17/66/606581766.db2.gz MGIPJMBMMVMCDV-SNVBAGLBSA-N -1 1 385.432 0.052 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)C(=O)N(C)C ZINC000822459099 606581767 /nfs/dbraw/zinc/58/17/67/606581767.db2.gz MGIPJMBMMVMCDV-SNVBAGLBSA-N -1 1 385.432 0.052 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000823478952 606583365 /nfs/dbraw/zinc/58/33/65/606583365.db2.gz XOWDBZIQWDLGCD-UHFFFAOYSA-N -1 1 393.411 0.087 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000823478952 606583367 /nfs/dbraw/zinc/58/33/67/606583367.db2.gz XOWDBZIQWDLGCD-UHFFFAOYSA-N -1 1 393.411 0.087 20 0 GCADMM CCOCCNC(=O)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821378661 606612447 /nfs/dbraw/zinc/61/24/47/606612447.db2.gz RMSZNOJZYDQXJC-UHFFFAOYSA-N -1 1 390.448 0.007 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821139077 606647144 /nfs/dbraw/zinc/64/71/44/606647144.db2.gz NFIMFBFJFXZRTA-AWEZNQCLSA-N -1 1 394.457 0.899 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821139077 606647145 /nfs/dbraw/zinc/64/71/45/606647145.db2.gz NFIMFBFJFXZRTA-AWEZNQCLSA-N -1 1 394.457 0.899 20 0 GCADMM CC1CCC2(CC1)NC(=O)N(CC(=O)OCc1ccnc(-c3nnn[n-]3)c1)C2=O ZINC000820689856 606649363 /nfs/dbraw/zinc/64/93/63/606649363.db2.gz CXLMQJFEOORFAP-UHFFFAOYSA-N -1 1 399.411 0.806 20 0 GCADMM CC1CCC2(CC1)NC(=O)N(CC(=O)OCc1ccnc(-c3nn[n-]n3)c1)C2=O ZINC000820689856 606649364 /nfs/dbraw/zinc/64/93/64/606649364.db2.gz CXLMQJFEOORFAP-UHFFFAOYSA-N -1 1 399.411 0.806 20 0 GCADMM CN(CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccccc1 ZINC000821593687 606652769 /nfs/dbraw/zinc/65/27/69/606652769.db2.gz FKGCFZWOCDSISH-UHFFFAOYSA-N -1 1 388.409 0.626 20 0 GCADMM CN(CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccccc1 ZINC000821593687 606652770 /nfs/dbraw/zinc/65/27/70/606652770.db2.gz FKGCFZWOCDSISH-UHFFFAOYSA-N -1 1 388.409 0.626 20 0 GCADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822993329 606653055 /nfs/dbraw/zinc/65/30/55/606653055.db2.gz RGMVWWFUHQPWIV-UHFFFAOYSA-N -1 1 385.384 0.560 20 0 GCADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822993329 606653056 /nfs/dbraw/zinc/65/30/56/606653056.db2.gz RGMVWWFUHQPWIV-UHFFFAOYSA-N -1 1 385.384 0.560 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000819884690 606653188 /nfs/dbraw/zinc/65/31/88/606653188.db2.gz YQKAAMXXCXQQMR-SNVBAGLBSA-N -1 1 385.384 0.558 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000819884690 606653189 /nfs/dbraw/zinc/65/31/89/606653189.db2.gz YQKAAMXXCXQQMR-SNVBAGLBSA-N -1 1 385.384 0.558 20 0 GCADMM COC(=O)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@H]1C ZINC000821655564 606698136 /nfs/dbraw/zinc/69/81/36/606698136.db2.gz NKCBYUFMCCHNLQ-XCBNKYQSSA-N -1 1 378.414 0.570 20 0 GCADMM CC(C)[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nnc2ccccn21 ZINC000820026431 606720488 /nfs/dbraw/zinc/72/04/88/606720488.db2.gz KEYBQEHRDFXRBM-GFCCVEGCSA-N -1 1 396.415 0.116 20 0 GCADMM CC(C)[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nnc2ccccn21 ZINC000820026432 606720598 /nfs/dbraw/zinc/72/05/98/606720598.db2.gz KEYBQEHRDFXRBM-LBPRGKRZSA-N -1 1 396.415 0.116 20 0 GCADMM O=S(=O)(N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000823567945 606730358 /nfs/dbraw/zinc/73/03/58/606730358.db2.gz ZLIJLECETFINSU-UHFFFAOYSA-N -1 1 378.340 0.383 20 0 GCADMM O=S(=O)(N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000823567945 606730359 /nfs/dbraw/zinc/73/03/59/606730359.db2.gz ZLIJLECETFINSU-UHFFFAOYSA-N -1 1 378.340 0.383 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cn(-c2ccccc2)nn1 ZINC000820445997 606739107 /nfs/dbraw/zinc/73/91/07/606739107.db2.gz SQUPHWXYZUFTAO-NSHDSACASA-N -1 1 397.424 0.882 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cn(-c2ccccc2)nn1 ZINC000820445997 606739108 /nfs/dbraw/zinc/73/91/08/606739108.db2.gz SQUPHWXYZUFTAO-NSHDSACASA-N -1 1 397.424 0.882 20 0 GCADMM CN1CCO[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC000821628970 606739559 /nfs/dbraw/zinc/73/95/59/606739559.db2.gz VQPFKOKHHZATSN-MNOVXSKESA-N -1 1 384.849 0.224 20 0 GCADMM CN1CCO[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC000821628970 606739560 /nfs/dbraw/zinc/73/95/60/606739560.db2.gz VQPFKOKHHZATSN-MNOVXSKESA-N -1 1 384.849 0.224 20 0 GCADMM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821509944 606744944 /nfs/dbraw/zinc/74/49/44/606744944.db2.gz QGQIZUMQRZEEAE-NSHDSACASA-N -1 1 375.418 0.229 20 0 GCADMM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821509944 606744945 /nfs/dbraw/zinc/74/49/45/606744945.db2.gz QGQIZUMQRZEEAE-NSHDSACASA-N -1 1 375.418 0.229 20 0 GCADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCNC(=O)C2)c1-c1nn[n-]n1 ZINC000822486351 606761621 /nfs/dbraw/zinc/76/16/21/606761621.db2.gz HJISQXPDKQYTIA-LBPRGKRZSA-N -1 1 381.396 0.930 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCn1ccnc1 ZINC000820788692 606762886 /nfs/dbraw/zinc/76/28/86/606762886.db2.gz MKSRKMZWCBARPA-ZDUSSCGKSA-N -1 1 397.447 0.164 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCn1ccnc1 ZINC000820788692 606762888 /nfs/dbraw/zinc/76/28/88/606762888.db2.gz MKSRKMZWCBARPA-ZDUSSCGKSA-N -1 1 397.447 0.164 20 0 GCADMM COc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000821831628 606768088 /nfs/dbraw/zinc/76/80/88/606768088.db2.gz GRMXTLVCXHOQRS-LLVKDONJSA-N -1 1 396.415 0.803 20 0 GCADMM COc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000821831628 606768090 /nfs/dbraw/zinc/76/80/90/606768090.db2.gz GRMXTLVCXHOQRS-LLVKDONJSA-N -1 1 396.415 0.803 20 0 GCADMM Cc1ccc(C(=O)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000822224837 606768653 /nfs/dbraw/zinc/76/86/53/606768653.db2.gz CFNITYSTYUOKHB-ZDUSSCGKSA-N -1 1 392.423 0.885 20 0 GCADMM Cc1ccc(C(=O)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000822224837 606768654 /nfs/dbraw/zinc/76/86/54/606768654.db2.gz CFNITYSTYUOKHB-ZDUSSCGKSA-N -1 1 392.423 0.885 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1cccs1 ZINC000820789029 606777284 /nfs/dbraw/zinc/77/72/84/606777284.db2.gz UBWHIBHLUQTAAR-GFCCVEGCSA-N -1 1 399.484 0.545 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1cccs1 ZINC000820789029 606777286 /nfs/dbraw/zinc/77/72/86/606777286.db2.gz UBWHIBHLUQTAAR-GFCCVEGCSA-N -1 1 399.484 0.545 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820649771 606778023 /nfs/dbraw/zinc/77/80/23/606778023.db2.gz ONVKFYRPKRZRBE-ZNMIVQPWSA-N -1 1 399.503 0.672 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820649771 606778025 /nfs/dbraw/zinc/77/80/25/606778025.db2.gz ONVKFYRPKRZRBE-ZNMIVQPWSA-N -1 1 399.503 0.672 20 0 GCADMM CCCCCCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821056713 606781116 /nfs/dbraw/zinc/78/11/16/606781116.db2.gz WWRVFWNPEUDXHA-AWEZNQCLSA-N -1 1 387.492 0.864 20 0 GCADMM CCCCCCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821056713 606781117 /nfs/dbraw/zinc/78/11/17/606781117.db2.gz WWRVFWNPEUDXHA-AWEZNQCLSA-N -1 1 387.492 0.864 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nccn1C(F)F ZINC000820803565 606782216 /nfs/dbraw/zinc/78/22/16/606782216.db2.gz CFQKQFRLRZCBND-SNVBAGLBSA-N -1 1 376.375 0.959 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nccn1C(F)F ZINC000820803565 606782217 /nfs/dbraw/zinc/78/22/17/606782217.db2.gz CFQKQFRLRZCBND-SNVBAGLBSA-N -1 1 376.375 0.959 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnsc1Cl ZINC000820804664 606785601 /nfs/dbraw/zinc/78/56/01/606785601.db2.gz WYLPCHRYKVYYML-QMMMGPOBSA-N -1 1 378.853 0.872 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnsc1Cl ZINC000820804664 606785603 /nfs/dbraw/zinc/78/56/03/606785603.db2.gz WYLPCHRYKVYYML-QMMMGPOBSA-N -1 1 378.853 0.872 20 0 GCADMM CCOCCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821373814 606787188 /nfs/dbraw/zinc/78/71/88/606787188.db2.gz MPPLXGNBNBWWFF-CYBMUJFWSA-N -1 1 389.464 0.694 20 0 GCADMM CCOCCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821373814 606787190 /nfs/dbraw/zinc/78/71/90/606787190.db2.gz MPPLXGNBNBWWFF-CYBMUJFWSA-N -1 1 389.464 0.694 20 0 GCADMM Cc1nccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822471901 606787874 /nfs/dbraw/zinc/78/78/74/606787874.db2.gz MJWCVMOZHOANLT-NSHDSACASA-N -1 1 395.431 0.175 20 0 GCADMM Cc1nccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822471901 606787876 /nfs/dbraw/zinc/78/78/76/606787876.db2.gz MJWCVMOZHOANLT-NSHDSACASA-N -1 1 395.431 0.175 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCn1cccn1 ZINC000820788959 606788373 /nfs/dbraw/zinc/78/83/73/606788373.db2.gz SCXFVSFKCJPENE-CYBMUJFWSA-N -1 1 397.447 0.164 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCn1cccn1 ZINC000820788959 606788375 /nfs/dbraw/zinc/78/83/75/606788375.db2.gz SCXFVSFKCJPENE-CYBMUJFWSA-N -1 1 397.447 0.164 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[C@@H]1CCCO1 ZINC000820789272 606788634 /nfs/dbraw/zinc/78/86/34/606788634.db2.gz ZHROARVMQALOMK-OLZOCXBDSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[C@@H]1CCCO1 ZINC000820789272 606788636 /nfs/dbraw/zinc/78/86/36/606788636.db2.gz ZHROARVMQALOMK-OLZOCXBDSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cscn1 ZINC000820788493 606790346 /nfs/dbraw/zinc/79/03/46/606790346.db2.gz IJWHMHHOLCDAFF-JTQLQIEISA-N -1 1 386.445 0.534 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cscn1 ZINC000820788493 606790348 /nfs/dbraw/zinc/79/03/48/606790348.db2.gz IJWHMHHOLCDAFF-JTQLQIEISA-N -1 1 386.445 0.534 20 0 GCADMM CCCCOCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821072648 606790480 /nfs/dbraw/zinc/79/04/80/606790480.db2.gz VKCBDRUDNZJXRU-CYBMUJFWSA-N -1 1 389.464 0.694 20 0 GCADMM CCCCOCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821072648 606790482 /nfs/dbraw/zinc/79/04/82/606790482.db2.gz VKCBDRUDNZJXRU-CYBMUJFWSA-N -1 1 389.464 0.694 20 0 GCADMM COC[C@H](C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821682013 606791300 /nfs/dbraw/zinc/79/13/00/606791300.db2.gz XYOLCCALCAPNJU-VXGBXAGGSA-N -1 1 375.437 0.159 20 0 GCADMM COC[C@H](C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821682013 606791301 /nfs/dbraw/zinc/79/13/01/606791301.db2.gz XYOLCCALCAPNJU-VXGBXAGGSA-N -1 1 375.437 0.159 20 0 GCADMM Cc1cnn(CCNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822403872 606793333 /nfs/dbraw/zinc/79/33/33/606793333.db2.gz YKQQDDDOIQVKGV-ZDUSSCGKSA-N -1 1 397.447 0.082 20 0 GCADMM Cc1cnn(CCNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822403872 606793334 /nfs/dbraw/zinc/79/33/34/606793334.db2.gz YKQQDDDOIQVKGV-ZDUSSCGKSA-N -1 1 397.447 0.082 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC000820350735 606793877 /nfs/dbraw/zinc/79/38/77/606793877.db2.gz LLADQMRQCZILLF-NEPJUHHUSA-N -1 1 397.447 0.372 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC000820350735 606793878 /nfs/dbraw/zinc/79/38/78/606793878.db2.gz LLADQMRQCZILLF-NEPJUHHUSA-N -1 1 397.447 0.372 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1CCCS1 ZINC000820788551 606795199 /nfs/dbraw/zinc/79/51/99/606795199.db2.gz JNJZVVULXYWWPK-RYUDHWBXSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1CCCS1 ZINC000820788551 606795200 /nfs/dbraw/zinc/79/52/00/606795200.db2.gz JNJZVVULXYWWPK-RYUDHWBXSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1CCCS1 ZINC000820788552 606795680 /nfs/dbraw/zinc/79/56/80/606795680.db2.gz JNJZVVULXYWWPK-VXGBXAGGSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1CCCS1 ZINC000820788552 606795682 /nfs/dbraw/zinc/79/56/82/606795682.db2.gz JNJZVVULXYWWPK-VXGBXAGGSA-N -1 1 389.489 0.772 20 0 GCADMM CO[C@H](CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000821676655 606796280 /nfs/dbraw/zinc/79/62/80/606796280.db2.gz DCGFCXNAMQDCMF-CHWSQXEVSA-N -1 1 389.464 0.548 20 0 GCADMM CO[C@H](CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000821676655 606796282 /nfs/dbraw/zinc/79/62/82/606796282.db2.gz DCGFCXNAMQDCMF-CHWSQXEVSA-N -1 1 389.464 0.548 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)CCS(C)(=O)=O ZINC000822006166 606804894 /nfs/dbraw/zinc/80/48/94/606804894.db2.gz YLASTZPOQLTBCG-SECBINFHSA-N -1 1 396.473 0.456 20 0 GCADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821931757 606807366 /nfs/dbraw/zinc/80/73/66/606807366.db2.gz HEIBXBOLGNIBKG-JQWIXIFHSA-N -1 1 388.457 0.940 20 0 GCADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821931757 606807367 /nfs/dbraw/zinc/80/73/67/606807367.db2.gz HEIBXBOLGNIBKG-JQWIXIFHSA-N -1 1 388.457 0.940 20 0 GCADMM CC1(C2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)OCCO1 ZINC000820613193 606812819 /nfs/dbraw/zinc/81/28/19/606812819.db2.gz WEODFEUDGDRCHO-UHFFFAOYSA-N -1 1 380.430 0.425 20 0 GCADMM CC1(C2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)OCCO1 ZINC000820613193 606812821 /nfs/dbraw/zinc/81/28/21/606812821.db2.gz WEODFEUDGDRCHO-UHFFFAOYSA-N -1 1 380.430 0.425 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H](O)CC(C)C ZINC000822459542 606816109 /nfs/dbraw/zinc/81/61/09/606816109.db2.gz RIOQGZJSHZFSPP-CYBMUJFWSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H](O)CC(C)C ZINC000822459542 606816111 /nfs/dbraw/zinc/81/61/11/606816111.db2.gz RIOQGZJSHZFSPP-CYBMUJFWSA-N -1 1 386.460 0.982 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC000820788333 606819990 /nfs/dbraw/zinc/81/99/90/606819990.db2.gz DOUJUSPPBUCKIX-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC000820788333 606819991 /nfs/dbraw/zinc/81/99/91/606819991.db2.gz DOUJUSPPBUCKIX-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CC1(Cl)Cl ZINC000820778981 606820041 /nfs/dbraw/zinc/82/00/41/606820041.db2.gz ZSNLJJAXVFRFJK-DTWKUNHWSA-N -1 1 383.243 0.888 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CC1(Cl)Cl ZINC000820778981 606820042 /nfs/dbraw/zinc/82/00/42/606820042.db2.gz ZSNLJJAXVFRFJK-DTWKUNHWSA-N -1 1 383.243 0.888 20 0 GCADMM COCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000821695131 606820554 /nfs/dbraw/zinc/82/05/54/606820554.db2.gz KOZBFYANIYVVBE-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM COCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000821695131 606820555 /nfs/dbraw/zinc/82/05/55/606820555.db2.gz KOZBFYANIYVVBE-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM Cc1noc(CCCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822528115 606820605 /nfs/dbraw/zinc/82/06/05/606820605.db2.gz SRVGAAAIKSQJIV-NSHDSACASA-N -1 1 398.431 0.408 20 0 GCADMM Cc1noc(CCCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822528115 606820606 /nfs/dbraw/zinc/82/06/06/606820606.db2.gz SRVGAAAIKSQJIV-NSHDSACASA-N -1 1 398.431 0.408 20 0 GCADMM COCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000821695132 606820744 /nfs/dbraw/zinc/82/07/44/606820744.db2.gz KOZBFYANIYVVBE-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM COCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000821695132 606820745 /nfs/dbraw/zinc/82/07/45/606820745.db2.gz KOZBFYANIYVVBE-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cccnc1 ZINC000820776429 606821519 /nfs/dbraw/zinc/82/15/19/606821519.db2.gz LZROMMWOOXZYGG-ZDUSSCGKSA-N -1 1 379.428 0.722 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cccnc1 ZINC000820776429 606821523 /nfs/dbraw/zinc/82/15/23/606821523.db2.gz LZROMMWOOXZYGG-ZDUSSCGKSA-N -1 1 379.428 0.722 20 0 GCADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000822233276 606822463 /nfs/dbraw/zinc/82/24/63/606822463.db2.gz LPSAULJPTVZTDY-CYBMUJFWSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000822233276 606822465 /nfs/dbraw/zinc/82/24/65/606822465.db2.gz LPSAULJPTVZTDY-CYBMUJFWSA-N -1 1 379.428 0.640 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)c1 ZINC000820774910 606823037 /nfs/dbraw/zinc/82/30/37/606823037.db2.gz GYKKVBXRANJXQA-LBPRGKRZSA-N -1 1 382.432 0.060 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)c1 ZINC000820774910 606823038 /nfs/dbraw/zinc/82/30/38/606823038.db2.gz GYKKVBXRANJXQA-LBPRGKRZSA-N -1 1 382.432 0.060 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccncc1 ZINC000820789170 606824082 /nfs/dbraw/zinc/82/40/82/606824082.db2.gz WXAPWJOCHWZEBC-ZDUSSCGKSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccncc1 ZINC000820789170 606824083 /nfs/dbraw/zinc/82/40/83/606824083.db2.gz WXAPWJOCHWZEBC-ZDUSSCGKSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccnc1 ZINC000819857674 606824141 /nfs/dbraw/zinc/82/41/41/606824141.db2.gz UBPWOVSVADNYGX-STQMWFEESA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccnc1 ZINC000819857674 606824142 /nfs/dbraw/zinc/82/41/42/606824142.db2.gz UBPWOVSVADNYGX-STQMWFEESA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccnc1 ZINC000819857668 606824356 /nfs/dbraw/zinc/82/43/56/606824356.db2.gz UBPWOVSVADNYGX-CHWSQXEVSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccnc1 ZINC000819857668 606824358 /nfs/dbraw/zinc/82/43/58/606824358.db2.gz UBPWOVSVADNYGX-CHWSQXEVSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COCc1ccccc1 ZINC000820778395 606824812 /nfs/dbraw/zinc/82/48/12/606824812.db2.gz WFUJSLBJSXHZOT-CQSZACIVSA-N -1 1 394.439 0.911 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COCc1ccccc1 ZINC000820778395 606824814 /nfs/dbraw/zinc/82/48/14/606824814.db2.gz WFUJSLBJSXHZOT-CQSZACIVSA-N -1 1 394.439 0.911 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC000820788204 606825084 /nfs/dbraw/zinc/82/50/84/606825084.db2.gz AJJORYWYWGOMJX-SNVBAGLBSA-N -1 1 380.416 0.219 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC000820788204 606825086 /nfs/dbraw/zinc/82/50/86/606825086.db2.gz AJJORYWYWGOMJX-SNVBAGLBSA-N -1 1 380.416 0.219 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000820789164 606825276 /nfs/dbraw/zinc/82/52/76/606825276.db2.gz WULJMPPVYLOJHD-NSHDSACASA-N -1 1 394.395 0.736 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000820789164 606825277 /nfs/dbraw/zinc/82/52/77/606825277.db2.gz WULJMPPVYLOJHD-NSHDSACASA-N -1 1 394.395 0.736 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000821859085 606825285 /nfs/dbraw/zinc/82/52/85/606825285.db2.gz KXPSDNUFYHXJNL-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000821859085 606825286 /nfs/dbraw/zinc/82/52/86/606825286.db2.gz KXPSDNUFYHXJNL-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822199066 606825745 /nfs/dbraw/zinc/82/57/45/606825745.db2.gz VAQAUJZBQXJUNA-AWEZNQCLSA-N -1 1 396.459 0.597 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822199066 606825747 /nfs/dbraw/zinc/82/57/47/606825747.db2.gz VAQAUJZBQXJUNA-AWEZNQCLSA-N -1 1 396.459 0.597 20 0 GCADMM COc1ccccc1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821889723 606825769 /nfs/dbraw/zinc/82/57/69/606825769.db2.gz FDGOIMAMKNINPW-CYBMUJFWSA-N -1 1 394.439 0.945 20 0 GCADMM COc1ccccc1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821889723 606825771 /nfs/dbraw/zinc/82/57/71/606825771.db2.gz FDGOIMAMKNINPW-CYBMUJFWSA-N -1 1 394.439 0.945 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821568396 606830340 /nfs/dbraw/zinc/83/03/40/606830340.db2.gz SFSAFWBALNPPPW-LBPRGKRZSA-N -1 1 382.432 0.532 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821568396 606830343 /nfs/dbraw/zinc/83/03/43/606830343.db2.gz SFSAFWBALNPPPW-LBPRGKRZSA-N -1 1 382.432 0.532 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(N)=O)cs1 ZINC000820789230 606831409 /nfs/dbraw/zinc/83/14/09/606831409.db2.gz YJSYAYMKCUEZTN-VIFPVBQESA-N -1 1 399.440 0.168 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(N)=O)cs1 ZINC000820789230 606831410 /nfs/dbraw/zinc/83/14/10/606831410.db2.gz YJSYAYMKCUEZTN-VIFPVBQESA-N -1 1 399.440 0.168 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2[nH]ncc21 ZINC000820788828 606831627 /nfs/dbraw/zinc/83/16/27/606831627.db2.gz PBSFQNDCHUAEKE-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2[nH]ncc21 ZINC000820788828 606831629 /nfs/dbraw/zinc/83/16/29/606831629.db2.gz PBSFQNDCHUAEKE-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM Cc1ncc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000822472408 606835168 /nfs/dbraw/zinc/83/51/68/606835168.db2.gz RVMGZNRBTBOVNL-JTQLQIEISA-N -1 1 381.404 0.498 20 0 GCADMM Cc1ncc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000822472408 606835170 /nfs/dbraw/zinc/83/51/70/606835170.db2.gz RVMGZNRBTBOVNL-JTQLQIEISA-N -1 1 381.404 0.498 20 0 GCADMM CCc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000821471022 606836145 /nfs/dbraw/zinc/83/61/45/606836145.db2.gz UWSRUKOIUDWAAQ-SNVBAGLBSA-N -1 1 384.404 0.950 20 0 GCADMM CCc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000821471022 606836146 /nfs/dbraw/zinc/83/61/46/606836146.db2.gz UWSRUKOIUDWAAQ-SNVBAGLBSA-N -1 1 384.404 0.950 20 0 GCADMM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821114567 606840284 /nfs/dbraw/zinc/84/02/84/606840284.db2.gz XREGVKXJLUTMPA-UHFFFAOYSA-N -1 1 396.448 0.933 20 0 GCADMM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821335075 606842183 /nfs/dbraw/zinc/84/21/83/606842183.db2.gz XGTSHWVFYVJNNK-NSHDSACASA-N -1 1 398.420 0.905 20 0 GCADMM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820012084 606843481 /nfs/dbraw/zinc/84/34/81/606843481.db2.gz UIMKIIBUFLHEEP-LBPRGKRZSA-N -1 1 396.448 0.931 20 0 GCADMM COCCOC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821692304 606843857 /nfs/dbraw/zinc/84/38/57/606843857.db2.gz UMCZYUUITIQOAR-UHFFFAOYSA-N -1 1 385.421 0.822 20 0 GCADMM CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821597947 606845283 /nfs/dbraw/zinc/84/52/83/606845283.db2.gz LYEGQBXZIMRPRW-VIFPVBQESA-N -1 1 389.434 0.061 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823601224 606847301 /nfs/dbraw/zinc/84/73/01/606847301.db2.gz WZRUEWILXKCNFT-UONOGXRCSA-N -1 1 383.405 0.574 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CCC(C)(C)C ZINC000820804698 606848042 /nfs/dbraw/zinc/84/80/42/606848042.db2.gz XRYMDFUUJXVMJO-LBPRGKRZSA-N -1 1 394.505 0.933 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CCC(C)(C)C ZINC000820804698 606848043 /nfs/dbraw/zinc/84/80/43/606848043.db2.gz XRYMDFUUJXVMJO-LBPRGKRZSA-N -1 1 394.505 0.933 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1C1CC1 ZINC000820788437 606855039 /nfs/dbraw/zinc/85/50/39/606855039.db2.gz GZVFGZGXJOLUEF-LLVKDONJSA-N -1 1 394.443 0.619 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1C1CC1 ZINC000820788437 606855041 /nfs/dbraw/zinc/85/50/41/606855041.db2.gz GZVFGZGXJOLUEF-LLVKDONJSA-N -1 1 394.443 0.619 20 0 GCADMM CCOC(=O)[C@H](C)N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821314794 606856921 /nfs/dbraw/zinc/85/69/21/606856921.db2.gz NNAZOXZCALEHJP-NSHDSACASA-N -1 1 376.417 0.927 20 0 GCADMM O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000823614781 606872843 /nfs/dbraw/zinc/87/28/43/606872843.db2.gz SOZYTQTZEYMIEV-UHFFFAOYSA-N -1 1 391.434 0.997 20 0 GCADMM COCc1nc2n(n1)C[C@@H](Nc1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000821696731 606877393 /nfs/dbraw/zinc/87/73/93/606877393.db2.gz NYOWNDUJJMNIES-JTQLQIEISA-N -1 1 378.400 0.975 20 0 GCADMM COCc1nc2n(n1)C[C@@H](Nc1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000821696731 606877395 /nfs/dbraw/zinc/87/73/95/606877395.db2.gz NYOWNDUJJMNIES-JTQLQIEISA-N -1 1 378.400 0.975 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2COc3c2cccc3Cl)n(C)c1=O ZINC000822599231 606878109 /nfs/dbraw/zinc/87/81/09/606878109.db2.gz BYDGRDHTEVSYTN-VIFPVBQESA-N -1 1 375.776 0.463 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000822535298 606943674 /nfs/dbraw/zinc/94/36/74/606943674.db2.gz MTNGCAIONHUCDD-NSHDSACASA-N -1 1 383.368 0.835 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000822535298 606943675 /nfs/dbraw/zinc/94/36/75/606943675.db2.gz MTNGCAIONHUCDD-NSHDSACASA-N -1 1 383.368 0.835 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@H]2N1 ZINC000823536195 606943731 /nfs/dbraw/zinc/94/37/31/606943731.db2.gz VHGKODWSKPMBPI-CHWSQXEVSA-N -1 1 380.405 0.438 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000822609855 606955941 /nfs/dbraw/zinc/95/59/41/606955941.db2.gz XGEOOMRQUCMDFA-HIFRSBDPSA-N -1 1 398.427 0.957 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000822609855 606955943 /nfs/dbraw/zinc/95/59/43/606955943.db2.gz XGEOOMRQUCMDFA-HIFRSBDPSA-N -1 1 398.427 0.957 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000822609857 606956062 /nfs/dbraw/zinc/95/60/62/606956062.db2.gz XGEOOMRQUCMDFA-ZFWWWQNUSA-N -1 1 398.427 0.957 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000822609857 606956064 /nfs/dbraw/zinc/95/60/64/606956064.db2.gz XGEOOMRQUCMDFA-ZFWWWQNUSA-N -1 1 398.427 0.957 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCc1ccon1 ZINC000820789058 606978202 /nfs/dbraw/zinc/97/82/02/606978202.db2.gz UTHDHTXWJKDUOE-SNVBAGLBSA-N -1 1 386.445 0.230 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCc1ccon1 ZINC000820789058 606978204 /nfs/dbraw/zinc/97/82/04/606978204.db2.gz UTHDHTXWJKDUOE-SNVBAGLBSA-N -1 1 386.445 0.230 20 0 GCADMM CC(C)S(=O)(=O)CCCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820788730 606979693 /nfs/dbraw/zinc/97/96/93/606979693.db2.gz NCDQBOAQBRWBIZ-ZDUSSCGKSA-N -1 1 394.505 0.381 20 0 GCADMM CC(C)S(=O)(=O)CCCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820788730 606979695 /nfs/dbraw/zinc/97/96/95/606979695.db2.gz NCDQBOAQBRWBIZ-ZDUSSCGKSA-N -1 1 394.505 0.381 20 0 GCADMM CCCN(C)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821087710 607003723 /nfs/dbraw/zinc/00/37/23/607003723.db2.gz FDGCUBLDHSBGLK-UHFFFAOYSA-N -1 1 396.477 0.441 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736593868 607004852 /nfs/dbraw/zinc/00/48/52/607004852.db2.gz LQBQHCJDKGGBAZ-SNVBAGLBSA-N -1 1 383.405 0.970 20 0 GCADMM Nc1n[nH]c(CCCNc2ccc(C(=O)NC3CCCC3)nn2)c1-c1nn[n-]n1 ZINC000822899529 607019164 /nfs/dbraw/zinc/01/91/64/607019164.db2.gz KAACYCLDJNFUDW-UHFFFAOYSA-N -1 1 397.447 0.679 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821969950 607020298 /nfs/dbraw/zinc/02/02/98/607020298.db2.gz HFVRCAQQTWUEJI-MNOVXSKESA-N -1 1 389.441 0.572 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](Cc2ccccc2)C(F)(F)F)n(C)c1=O ZINC000822600099 607029685 /nfs/dbraw/zinc/02/96/85/607029685.db2.gz JPCIVSOIROEHQJ-SNVBAGLBSA-N -1 1 395.345 0.850 20 0 GCADMM C[C@@H](O)C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000820473768 607045905 /nfs/dbraw/zinc/04/59/05/607045905.db2.gz LNKKBTCQLWAODT-DGCLKSJQSA-N -1 1 385.428 0.231 20 0 GCADMM C[C@@H](O)C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000820473770 607045928 /nfs/dbraw/zinc/04/59/28/607045928.db2.gz LNKKBTCQLWAODT-YPMHNXCESA-N -1 1 385.428 0.231 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccc(F)nc1 ZINC000820788291 607077985 /nfs/dbraw/zinc/07/79/85/607077985.db2.gz CGGLAYRMKSKJPD-JTQLQIEISA-N -1 1 384.379 0.933 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccc(F)nc1 ZINC000820788291 607077987 /nfs/dbraw/zinc/07/79/87/607077987.db2.gz CGGLAYRMKSKJPD-JTQLQIEISA-N -1 1 384.379 0.933 20 0 GCADMM O=C1NCCC[C@H]1N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823548284 607102468 /nfs/dbraw/zinc/10/24/68/607102468.db2.gz VUFXQXQPTKTIQY-LLVKDONJSA-N -1 1 384.400 0.515 20 0 GCADMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822963899 607106505 /nfs/dbraw/zinc/10/65/05/607106505.db2.gz APIBQTQQJYFXCX-IUCAKERBSA-N -1 1 375.414 0.827 20 0 GCADMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822963899 607106507 /nfs/dbraw/zinc/10/65/07/607106507.db2.gz APIBQTQQJYFXCX-IUCAKERBSA-N -1 1 375.414 0.827 20 0 GCADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822963895 607106696 /nfs/dbraw/zinc/10/66/96/607106696.db2.gz APIBQTQQJYFXCX-DTORHVGOSA-N -1 1 375.414 0.827 20 0 GCADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822963895 607106698 /nfs/dbraw/zinc/10/66/98/607106698.db2.gz APIBQTQQJYFXCX-DTORHVGOSA-N -1 1 375.414 0.827 20 0 GCADMM COc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)ccc1OCC(N)=O ZINC000821703256 607108049 /nfs/dbraw/zinc/10/80/49/607108049.db2.gz WXCHEUKJZHYGQQ-UHFFFAOYSA-N -1 1 375.370 0.448 20 0 GCADMM COc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)ccc1OCC(N)=O ZINC000821703256 607108051 /nfs/dbraw/zinc/10/80/51/607108051.db2.gz WXCHEUKJZHYGQQ-UHFFFAOYSA-N -1 1 375.370 0.448 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCCCC3)C2)n(C)c1=O ZINC000822600978 607131467 /nfs/dbraw/zinc/13/14/67/607131467.db2.gz RUTFTDIGOCPUEZ-LLVKDONJSA-N -1 1 375.433 0.558 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000823605806 607146305 /nfs/dbraw/zinc/14/63/05/607146305.db2.gz BIGBSUMQUPXIBG-NWDGAFQWSA-N -1 1 385.446 0.901 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H](CO)OC[C@H]1C ZINC000822005381 607187663 /nfs/dbraw/zinc/18/76/63/607187663.db2.gz QVEQAORFRLUJHG-BXKDBHETSA-N -1 1 376.417 0.125 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000823131036 607206064 /nfs/dbraw/zinc/20/60/64/607206064.db2.gz BBUXBULCXLZSGQ-UHFFFAOYSA-N -1 1 395.427 0.401 20 0 GCADMM Cn1cnnc1Sc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822703767 607206756 /nfs/dbraw/zinc/20/67/56/607206756.db2.gz COLOKUUYYHKRNY-UHFFFAOYSA-N -1 1 383.401 0.377 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000823131938 607207611 /nfs/dbraw/zinc/20/76/11/607207611.db2.gz RKULDUUIDFSLCI-UHFFFAOYSA-N -1 1 390.367 0.744 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000823131571 607207654 /nfs/dbraw/zinc/20/76/54/607207654.db2.gz KDHNBJBBHHOVSB-UHFFFAOYSA-N -1 1 395.305 0.389 20 0 GCADMM C[C@H]1CN(c2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000820776897 607208949 /nfs/dbraw/zinc/20/89/49/607208949.db2.gz NOTMXRYTUIGJHI-RYUDHWBXSA-N -1 1 383.416 0.711 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000823131157 607209147 /nfs/dbraw/zinc/20/91/47/607209147.db2.gz CNMWLYNLXKTICG-UHFFFAOYSA-N -1 1 381.400 0.769 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000823131939 607209343 /nfs/dbraw/zinc/20/93/43/607209343.db2.gz RLVZPZRCFITHQG-UHFFFAOYSA-N -1 1 387.367 0.807 20 0 GCADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821066338 607210193 /nfs/dbraw/zinc/21/01/93/607210193.db2.gz SVLLFHAOBSGLTQ-RYUDHWBXSA-N -1 1 375.437 0.002 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(F)cc1Br ZINC000823131915 607210932 /nfs/dbraw/zinc/21/09/32/607210932.db2.gz QMTFNZQEZRDLQM-UHFFFAOYSA-N -1 1 381.169 0.676 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1cccc(Cl)c1Cl ZINC000823131944 607211000 /nfs/dbraw/zinc/21/10/00/607211000.db2.gz RSZGXSNNIUOKDI-UHFFFAOYSA-N -1 1 383.199 0.960 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1ccc(Br)cc1 ZINC000823131950 607211912 /nfs/dbraw/zinc/21/19/12/607211912.db2.gz RXZUTIPWEZNMHD-UHFFFAOYSA-N -1 1 393.205 0.416 20 0 GCADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821015153 607212091 /nfs/dbraw/zinc/21/20/91/607212091.db2.gz OMZZMJNSSMBUHH-NEPJUHHUSA-N -1 1 375.437 0.002 20 0 GCADMM COc1ccccc1CC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821890900 607212590 /nfs/dbraw/zinc/21/25/90/607212590.db2.gz QWTKNKPLYKBIPM-UHFFFAOYSA-N -1 1 382.428 0.948 20 0 GCADMM COc1cccc(N2CC[C@@H](CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)c1 ZINC000821871792 607212670 /nfs/dbraw/zinc/21/26/70/607212670.db2.gz DQYKHEHFZAWLGM-LBPRGKRZSA-N -1 1 383.416 0.110 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000823126967 607212951 /nfs/dbraw/zinc/21/29/51/607212951.db2.gz PACFBJLSYYURKA-UHFFFAOYSA-N -1 1 388.819 0.934 20 0 GCADMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821220899 607214060 /nfs/dbraw/zinc/21/40/60/607214060.db2.gz FPPLCMQFGZOOMV-UHFFFAOYSA-N -1 1 383.416 0.209 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819933396 607214930 /nfs/dbraw/zinc/21/49/30/607214930.db2.gz QBSHZQNOXQVCPB-NSHDSACASA-N -1 1 391.436 0.222 20 0 GCADMM CSCC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000821962046 607215180 /nfs/dbraw/zinc/21/51/80/607215180.db2.gz OHFUHVUHIGOOJF-LBPRGKRZSA-N -1 1 398.456 0.945 20 0 GCADMM CN(CCc1ccc(Br)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821604957 607215297 /nfs/dbraw/zinc/21/52/97/607215297.db2.gz ORJUAHXTWJIRQC-UHFFFAOYSA-N -1 1 391.233 0.922 20 0 GCADMM CSCC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000821962044 607215445 /nfs/dbraw/zinc/21/54/45/607215445.db2.gz OHFUHVUHIGOOJF-GFCCVEGCSA-N -1 1 398.456 0.945 20 0 GCADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821154064 607216031 /nfs/dbraw/zinc/21/60/31/607216031.db2.gz IFLHUYPJAHJBIH-ZDUSSCGKSA-N -1 1 381.400 0.112 20 0 GCADMM COc1cc(F)c([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC000821719728 607217548 /nfs/dbraw/zinc/21/75/48/607217548.db2.gz IMCCMIACBBQKLG-QMMMGPOBSA-N -1 1 376.352 0.492 20 0 GCADMM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000822205967 607217715 /nfs/dbraw/zinc/21/77/15/607217715.db2.gz PDHKIIMQHKIPGQ-CYBMUJFWSA-N -1 1 385.407 0.691 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000823136204 607218427 /nfs/dbraw/zinc/21/84/27/607218427.db2.gz OLZRVBFPWRRWKT-KBPBESRZSA-N -1 1 384.400 0.779 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OCC2CCOCC2)cc1 ZINC000823136252 607218570 /nfs/dbraw/zinc/21/85/70/607218570.db2.gz QPZQFNKGXQPCQX-UHFFFAOYSA-N -1 1 384.400 0.902 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000823487402 607219295 /nfs/dbraw/zinc/21/92/95/607219295.db2.gz CKASYJGIUVSPTO-GFCCVEGCSA-N -1 1 384.375 0.719 20 0 GCADMM COc1ccc(C[C@@H]2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)cc1 ZINC000821791034 607219575 /nfs/dbraw/zinc/21/95/75/607219575.db2.gz ZOBSXXFEKMPHQI-AWEZNQCLSA-N -1 1 382.428 0.948 20 0 GCADMM COCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OC)c(OC)c1 ZINC000821688586 607219734 /nfs/dbraw/zinc/21/97/34/607219734.db2.gz QSXLLSCJZBKMKX-UHFFFAOYSA-N -1 1 388.388 0.155 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000823131734 607220480 /nfs/dbraw/zinc/22/04/80/607220480.db2.gz MTXHWRWKRNCFDZ-UHFFFAOYSA-N -1 1 380.328 0.216 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc2cc(Br)ccc2[nH]1 ZINC000823135950 607220662 /nfs/dbraw/zinc/22/06/62/607220662.db2.gz BPIKLJZDQJBDBG-UHFFFAOYSA-N -1 1 389.177 0.736 20 0 GCADMM CCC(CC)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)NC(=O)OC(C)(C)C ZINC000820887433 607220862 /nfs/dbraw/zinc/22/08/62/607220862.db2.gz CVUYJFFMRASWNC-UHFFFAOYSA-N -1 1 393.452 0.658 20 0 GCADMM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821653939 607221004 /nfs/dbraw/zinc/22/10/04/607221004.db2.gz PESOSPUEPSPTEW-OLZOCXBDSA-N -1 1 388.432 0.429 20 0 GCADMM COC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC000821657103 607221010 /nfs/dbraw/zinc/22/10/10/607221010.db2.gz HURJPRZBTZHLFW-LLVKDONJSA-N -1 1 390.791 0.532 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000823126053 607221329 /nfs/dbraw/zinc/22/13/29/607221329.db2.gz GOGLVAAYDPSYLV-CYBMUJFWSA-N -1 1 382.306 0.025 20 0 GCADMM Cc1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)[C@H](C)C2)cc1C ZINC000822242176 607221377 /nfs/dbraw/zinc/22/13/77/607221377.db2.gz CNVMXCVYLVNKDH-CQSZACIVSA-N -1 1 381.444 0.812 20 0 GCADMM CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820087416 607221741 /nfs/dbraw/zinc/22/17/41/607221741.db2.gz RJMJQOGBTAOCJY-AWEZNQCLSA-N -1 1 388.407 0.816 20 0 GCADMM Cc1nccn1-c1ccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822477216 607221828 /nfs/dbraw/zinc/22/18/28/607221828.db2.gz JKEOZNGLTFKGGG-LLVKDONJSA-N -1 1 378.400 0.830 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000823122684 607222105 /nfs/dbraw/zinc/22/21/05/607222105.db2.gz GETIJZPANJAFHM-OAHLLOKOSA-N -1 1 382.428 0.709 20 0 GCADMM CCOCCOc1cc(C)ccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821384122 607222292 /nfs/dbraw/zinc/22/22/92/607222292.db2.gz QEBUYKUCOYDCFN-UHFFFAOYSA-N -1 1 386.416 0.498 20 0 GCADMM CN(Cc1cc(Br)cn1C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821607550 607222753 /nfs/dbraw/zinc/22/27/53/607222753.db2.gz TZDDQWORLIEREX-UHFFFAOYSA-N -1 1 380.210 0.218 20 0 GCADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC[C@H]2CCCO2)c1 ZINC000822237354 607223259 /nfs/dbraw/zinc/22/32/59/607223259.db2.gz QBFGUWQMXKJGKU-CQSZACIVSA-N -1 1 398.427 0.641 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000823125711 607224210 /nfs/dbraw/zinc/22/42/10/607224210.db2.gz BTSNQEAOZAGPAL-SNVBAGLBSA-N -1 1 382.306 0.327 20 0 GCADMM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820908752 607234384 /nfs/dbraw/zinc/23/43/84/607234384.db2.gz QBBWYDJIEWYDAJ-AWEZNQCLSA-N -1 1 395.423 0.944 20 0 GCADMM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820908752 607234385 /nfs/dbraw/zinc/23/43/85/607234385.db2.gz QBBWYDJIEWYDAJ-AWEZNQCLSA-N -1 1 395.423 0.944 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)n(C)c1=O ZINC000826355723 607811237 /nfs/dbraw/zinc/81/12/37/607811237.db2.gz KXERYPNEOCALKD-JSGCOSHPSA-N -1 1 397.439 0.844 20 0 GCADMM CCN(CCS(C)(=O)=O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825424232 607811815 /nfs/dbraw/zinc/81/18/15/607811815.db2.gz BXTUKOKSZZMDJY-UHFFFAOYSA-N -1 1 393.878 0.575 20 0 GCADMM CCN(CCS(C)(=O)=O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825424232 607811816 /nfs/dbraw/zinc/81/18/16/607811816.db2.gz BXTUKOKSZZMDJY-UHFFFAOYSA-N -1 1 393.878 0.575 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000826328449 607813303 /nfs/dbraw/zinc/81/33/03/607813303.db2.gz RJWMJSOQHBJKNI-CYBMUJFWSA-N -1 1 398.427 0.669 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000826328449 607813304 /nfs/dbraw/zinc/81/33/04/607813304.db2.gz RJWMJSOQHBJKNI-CYBMUJFWSA-N -1 1 398.427 0.669 20 0 GCADMM Cc1oc(NC(=O)CN(CCS(C)(=O)=O)C(C)C)c(-c2nn[n-]n2)c1C ZINC000826342067 607813452 /nfs/dbraw/zinc/81/34/52/607813452.db2.gz XCRNAHFYRBPUMT-UHFFFAOYSA-N -1 1 384.462 0.770 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CC(C)(C)OC1=O ZINC000826328450 607813469 /nfs/dbraw/zinc/81/34/69/607813469.db2.gz RJWMJSOQHBJKNI-ZDUSSCGKSA-N -1 1 398.427 0.669 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CC(C)(C)OC1=O ZINC000826328450 607813470 /nfs/dbraw/zinc/81/34/70/607813470.db2.gz RJWMJSOQHBJKNI-ZDUSSCGKSA-N -1 1 398.427 0.669 20 0 GCADMM NC(=O)COc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826391522 607819006 /nfs/dbraw/zinc/81/90/06/607819006.db2.gz OTQDYTIPFPNSGQ-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488805 607853257 /nfs/dbraw/zinc/85/32/57/607853257.db2.gz ZJKBCLPJPFUJQL-YUTCNCBUSA-N -1 1 376.442 0.888 20 0 GCADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488805 607853258 /nfs/dbraw/zinc/85/32/58/607853258.db2.gz ZJKBCLPJPFUJQL-YUTCNCBUSA-N -1 1 376.442 0.888 20 0 GCADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488803 607853408 /nfs/dbraw/zinc/85/34/08/607853408.db2.gz ZJKBCLPJPFUJQL-IACUBPJLSA-N -1 1 376.442 0.888 20 0 GCADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488803 607853409 /nfs/dbraw/zinc/85/34/09/607853409.db2.gz ZJKBCLPJPFUJQL-IACUBPJLSA-N -1 1 376.442 0.888 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CSC3CCOCC3)CC2)o1 ZINC000826322843 607894275 /nfs/dbraw/zinc/89/42/75/607894275.db2.gz DKNLFSWJFZHZEA-UHFFFAOYSA-N -1 1 393.473 0.724 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCOCC1 ZINC000824040424 607905945 /nfs/dbraw/zinc/90/59/45/607905945.db2.gz POTJMBBYOUSFFV-OLZOCXBDSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCOCC1 ZINC000824040424 607905946 /nfs/dbraw/zinc/90/59/46/607905946.db2.gz POTJMBBYOUSFFV-OLZOCXBDSA-N -1 1 386.460 0.757 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)co1 ZINC000826090986 607906341 /nfs/dbraw/zinc/90/63/41/607906341.db2.gz TYGTUENPSAOSAD-UHFFFAOYSA-N -1 1 380.361 0.437 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825213163 607907233 /nfs/dbraw/zinc/90/72/33/607907233.db2.gz VZVAMJOQEMDCSV-FZMZJTMJSA-N -1 1 396.448 0.931 20 0 GCADMM O=S(=O)(NCC1CCS(=O)(=O)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826496940 607907900 /nfs/dbraw/zinc/90/79/00/607907900.db2.gz OQLLHSJRRJNNFB-UHFFFAOYSA-N -1 1 389.434 0.109 20 0 GCADMM O=S(=O)(NCC1CCS(=O)(=O)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826496940 607907901 /nfs/dbraw/zinc/90/79/01/607907901.db2.gz OQLLHSJRRJNNFB-UHFFFAOYSA-N -1 1 389.434 0.109 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)c(-c3nn[nH]n3)c2)co1 ZINC000826091154 607908535 /nfs/dbraw/zinc/90/85/35/607908535.db2.gz WYVHUERWIUETRI-UHFFFAOYSA-N -1 1 392.397 0.306 20 0 GCADMM CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000823981967 607914756 /nfs/dbraw/zinc/91/47/56/607914756.db2.gz UVKVAAHFDUJBQP-LBPRGKRZSA-N -1 1 390.400 0.959 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCOc2ccccc2-c2nn[nH]n2)co1 ZINC000826090107 607919165 /nfs/dbraw/zinc/91/91/65/607919165.db2.gz CMQMQFJXMYKCMT-UHFFFAOYSA-N -1 1 393.381 0.604 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)n1 ZINC000826356877 607920047 /nfs/dbraw/zinc/92/00/47/607920047.db2.gz JKUCCIURVUTBMV-LBPRGKRZSA-N -1 1 390.429 0.508 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)n1 ZINC000826356877 607920048 /nfs/dbraw/zinc/92/00/48/607920048.db2.gz JKUCCIURVUTBMV-LBPRGKRZSA-N -1 1 390.429 0.508 20 0 GCADMM CS(=O)(=O)CC1(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC000826222373 607925492 /nfs/dbraw/zinc/92/54/92/607925492.db2.gz UVGZEEFZURCLJI-UHFFFAOYSA-N -1 1 381.414 0.260 20 0 GCADMM CS(=O)(=O)CC1(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC000826222373 607925493 /nfs/dbraw/zinc/92/54/93/607925493.db2.gz UVGZEEFZURCLJI-UHFFFAOYSA-N -1 1 381.414 0.260 20 0 GCADMM CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000823980748 607926947 /nfs/dbraw/zinc/92/69/47/607926947.db2.gz HCEZDRCXHQHIKF-TZMCWYRMSA-N -1 1 399.459 0.095 20 0 GCADMM CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000823980748 607926948 /nfs/dbraw/zinc/92/69/48/607926948.db2.gz HCEZDRCXHQHIKF-TZMCWYRMSA-N -1 1 399.459 0.095 20 0 GCADMM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824447675 607937236 /nfs/dbraw/zinc/93/72/36/607937236.db2.gz APRSWSNLQMBXCP-SSDOTTSWSA-N -1 1 379.851 0.232 20 0 GCADMM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824447675 607937237 /nfs/dbraw/zinc/93/72/37/607937237.db2.gz APRSWSNLQMBXCP-SSDOTTSWSA-N -1 1 379.851 0.232 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826494627 607939404 /nfs/dbraw/zinc/93/94/04/607939404.db2.gz KAZAAINKUITDTC-DOMZBBRYSA-N -1 1 390.400 0.897 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826494627 607939405 /nfs/dbraw/zinc/93/94/05/607939405.db2.gz KAZAAINKUITDTC-DOMZBBRYSA-N -1 1 390.400 0.897 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000825000161 607940626 /nfs/dbraw/zinc/94/06/26/607940626.db2.gz NHSMLHDVPCUXKK-RYUDHWBXSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000825000161 607940627 /nfs/dbraw/zinc/94/06/27/607940627.db2.gz NHSMLHDVPCUXKK-RYUDHWBXSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000825000162 607940721 /nfs/dbraw/zinc/94/07/21/607940721.db2.gz NHSMLHDVPCUXKK-VXGBXAGGSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000825000162 607940722 /nfs/dbraw/zinc/94/07/22/607940722.db2.gz NHSMLHDVPCUXKK-VXGBXAGGSA-N -1 1 394.443 0.222 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CCCO)Cc1cccc(Cl)c1 ZINC000826425227 607944327 /nfs/dbraw/zinc/94/43/27/607944327.db2.gz VJLKXQLPPHGWLW-UHFFFAOYSA-N -1 1 376.808 0.523 20 0 GCADMM C[C@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000824671101 607973179 /nfs/dbraw/zinc/97/31/79/607973179.db2.gz XASZPDXJEMPRJW-HNNXBMFYSA-N -1 1 378.389 0.587 20 0 GCADMM C[C@](O)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000824671101 607973180 /nfs/dbraw/zinc/97/31/80/607973180.db2.gz XASZPDXJEMPRJW-HNNXBMFYSA-N -1 1 378.389 0.587 20 0 GCADMM O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826486607 607988030 /nfs/dbraw/zinc/98/80/30/607988030.db2.gz JAWHGEYTYMEWFM-UHFFFAOYSA-N -1 1 386.441 0.309 20 0 GCADMM O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826486607 607988031 /nfs/dbraw/zinc/98/80/31/607988031.db2.gz JAWHGEYTYMEWFM-UHFFFAOYSA-N -1 1 386.441 0.309 20 0 GCADMM c1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc(OCCN2CCOCC2)c1 ZINC000826516522 607990352 /nfs/dbraw/zinc/99/03/52/607990352.db2.gz NUEHUPJFPRXWJQ-UHFFFAOYSA-N -1 1 382.428 0.980 20 0 GCADMM C[C@H](CO)CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000824436840 607994574 /nfs/dbraw/zinc/99/45/74/607994574.db2.gz WCHPDNFMGDQTQN-STQMWFEESA-N -1 1 389.464 0.285 20 0 GCADMM C[C@H](CO)CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000824436840 607994575 /nfs/dbraw/zinc/99/45/75/607994575.db2.gz WCHPDNFMGDQTQN-STQMWFEESA-N -1 1 389.464 0.285 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(CN2C(=O)CNC2=O)c1 ZINC000826451164 607997205 /nfs/dbraw/zinc/99/72/05/607997205.db2.gz SQKDSAFRGMYFOR-UHFFFAOYSA-N -1 1 393.363 0.876 20 0 GCADMM CCOC(=O)CC1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCCC1 ZINC000825506115 607999447 /nfs/dbraw/zinc/99/94/47/607999447.db2.gz FBLUZSJQYRCYKG-UHFFFAOYSA-N -1 1 376.421 0.478 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCN([C@H]2CCOC2)CC1 ZINC000826494822 608001377 /nfs/dbraw/zinc/00/13/77/608001377.db2.gz QPCRWSFPPDODTA-LBPRGKRZSA-N -1 1 398.876 0.615 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000826424982 608013652 /nfs/dbraw/zinc/01/36/52/608013652.db2.gz LGOHFSWHUGCVBS-LBPRGKRZSA-N -1 1 379.446 0.022 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000826424982 608013653 /nfs/dbraw/zinc/01/36/53/608013653.db2.gz LGOHFSWHUGCVBS-LBPRGKRZSA-N -1 1 379.446 0.022 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccco2)Cc2cccnc2)n(C)c1=O ZINC000826355630 608016356 /nfs/dbraw/zinc/01/63/56/608016356.db2.gz HVJVVCOBFGUPDQ-UHFFFAOYSA-N -1 1 394.395 0.459 20 0 GCADMM CS(=O)(=O)CCn1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1=O ZINC000826222665 608031488 /nfs/dbraw/zinc/03/14/88/608031488.db2.gz GTHMJUDEJYXDGX-UHFFFAOYSA-N -1 1 394.438 0.387 20 0 GCADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826104507 608057258 /nfs/dbraw/zinc/05/72/58/608057258.db2.gz XZMZGAATSFPYRE-SNVBAGLBSA-N -1 1 375.357 0.483 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1CC(F)(F)F ZINC000824994940 608097893 /nfs/dbraw/zinc/09/78/93/608097893.db2.gz XRYHHMXYUWISOZ-SECBINFHSA-N -1 1 391.379 0.519 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1CC(F)(F)F ZINC000824994940 608097894 /nfs/dbraw/zinc/09/78/94/608097894.db2.gz XRYHHMXYUWISOZ-SECBINFHSA-N -1 1 391.379 0.519 20 0 GCADMM O=C1OCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCN12 ZINC000826483196 608111957 /nfs/dbraw/zinc/11/19/57/608111957.db2.gz DYJVUJKUVRGVQN-VIFPVBQESA-N -1 1 382.377 0.221 20 0 GCADMM O=C1OCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCN12 ZINC000826483196 608111958 /nfs/dbraw/zinc/11/19/58/608111958.db2.gz DYJVUJKUVRGVQN-VIFPVBQESA-N -1 1 382.377 0.221 20 0 GCADMM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826482454 608125415 /nfs/dbraw/zinc/12/54/15/608125415.db2.gz FEZNKRQMFACGBN-UHFFFAOYSA-N -1 1 382.377 0.269 20 0 GCADMM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823989300 608126068 /nfs/dbraw/zinc/12/60/68/608126068.db2.gz SSQCBPLKKWBNSI-UHFFFAOYSA-N -1 1 379.446 0.330 20 0 GCADMM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823989300 608126069 /nfs/dbraw/zinc/12/60/69/608126069.db2.gz SSQCBPLKKWBNSI-UHFFFAOYSA-N -1 1 379.446 0.330 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CCC1CC1 ZINC000825000816 608151493 /nfs/dbraw/zinc/15/14/93/608151493.db2.gz VOCAWSYQHOPPEY-NSHDSACASA-N -1 1 378.462 0.297 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CCC1CC1 ZINC000825000816 608151494 /nfs/dbraw/zinc/15/14/94/608151494.db2.gz VOCAWSYQHOPPEY-NSHDSACASA-N -1 1 378.462 0.297 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488844 608159510 /nfs/dbraw/zinc/15/95/10/608159510.db2.gz AFANLUGJBRAATQ-XHDPSFHLSA-N -1 1 383.405 0.622 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(F)(F)C1(O)CCC1 ZINC000824998957 608179876 /nfs/dbraw/zinc/17/98/76/608179876.db2.gz AZGMIWNBRQTQKQ-SNVBAGLBSA-N -1 1 394.386 0.244 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(F)(F)C1(O)CCC1 ZINC000824998957 608179878 /nfs/dbraw/zinc/17/98/78/608179878.db2.gz AZGMIWNBRQTQKQ-SNVBAGLBSA-N -1 1 394.386 0.244 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCC1=O ZINC000824865787 608179950 /nfs/dbraw/zinc/17/99/50/608179950.db2.gz JOUXFRLLLFNAHO-FRRDWIJNSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCC1=O ZINC000824865787 608179951 /nfs/dbraw/zinc/17/99/51/608179951.db2.gz JOUXFRLLLFNAHO-FRRDWIJNSA-N -1 1 384.444 0.699 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(Cc3ccc(F)cc3)CC2)n(C)c1=O ZINC000826356014 608194120 /nfs/dbraw/zinc/19/41/20/608194120.db2.gz WZTVGMWPVZXZMO-UHFFFAOYSA-N -1 1 385.403 0.838 20 0 GCADMM CC[C@@H](CO)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)CC1 ZINC000825120458 608204906 /nfs/dbraw/zinc/20/49/06/608204906.db2.gz KHETVAYEDGVIEU-JTQLQIEISA-N -1 1 393.473 0.218 20 0 GCADMM CN1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028733 608206747 /nfs/dbraw/zinc/20/67/47/608206747.db2.gz GZMPKPMGYDRZIL-JSGCOSHPSA-N -1 1 389.370 0.298 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000826229447 608209822 /nfs/dbraw/zinc/20/98/22/608209822.db2.gz DYPNZZYSVCQVBA-MRVPVSSYSA-N -1 1 391.413 0.356 20 0 GCADMM COc1cccc(OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826217664 608212358 /nfs/dbraw/zinc/21/23/58/608212358.db2.gz XBPADXVBEYQDFV-UHFFFAOYSA-N -1 1 386.416 0.651 20 0 GCADMM COc1cccc(OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826217664 608212359 /nfs/dbraw/zinc/21/23/59/608212359.db2.gz XBPADXVBEYQDFV-UHFFFAOYSA-N -1 1 386.416 0.651 20 0 GCADMM CCCC(=O)N1CCC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825220027 608212948 /nfs/dbraw/zinc/21/29/48/608212948.db2.gz ORVSMFMJQFVABN-GFCCVEGCSA-N -1 1 389.464 0.354 20 0 GCADMM CCCC(=O)N1CCC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825220027 608212949 /nfs/dbraw/zinc/21/29/49/608212949.db2.gz ORVSMFMJQFVABN-GFCCVEGCSA-N -1 1 389.464 0.354 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOC[C@H]1CCO ZINC000826232634 608213188 /nfs/dbraw/zinc/21/31/88/608213188.db2.gz BDKXDTVIZYYGCW-GFCCVEGCSA-N -1 1 376.417 0.127 20 0 GCADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)[C@@H](O)C(F)(F)F ZINC000825149453 608239546 /nfs/dbraw/zinc/23/95/46/608239546.db2.gz YOZWTAPWMSCIAF-PSASIEDQSA-N -1 1 383.327 0.986 20 0 GCADMM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825760368 608249739 /nfs/dbraw/zinc/24/97/39/608249739.db2.gz WGZXEQIOOMSEGB-UHFFFAOYSA-N -1 1 378.418 0.045 20 0 GCADMM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825760368 608249740 /nfs/dbraw/zinc/24/97/40/608249740.db2.gz WGZXEQIOOMSEGB-UHFFFAOYSA-N -1 1 378.418 0.045 20 0 GCADMM CCC[C@H]1C(=O)NCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825248350 608250105 /nfs/dbraw/zinc/25/01/05/608250105.db2.gz RQZBYGQVSAXBSO-ZDUSSCGKSA-N -1 1 387.444 0.644 20 0 GCADMM CN(c1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826010659 608266828 /nfs/dbraw/zinc/26/68/28/608266828.db2.gz NEZXQBQRWFZCPB-UHFFFAOYSA-N -1 1 394.438 0.490 20 0 GCADMM CN(c1cccc(S(C)(=O)=O)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826010659 608266829 /nfs/dbraw/zinc/26/68/29/608266829.db2.gz NEZXQBQRWFZCPB-UHFFFAOYSA-N -1 1 394.438 0.490 20 0 GCADMM O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490749 608304095 /nfs/dbraw/zinc/30/40/95/608304095.db2.gz GKZBHEPALYMWMT-LLVKDONJSA-N -1 1 383.405 0.970 20 0 GCADMM CC(=O)NC[C@H]1CN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CCO1 ZINC000823994921 608313537 /nfs/dbraw/zinc/31/35/37/608313537.db2.gz SOHLBQJLVOTVGB-INIZCTEOSA-N -1 1 396.455 0.698 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCS(=O)(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826332441 608315986 /nfs/dbraw/zinc/31/59/86/608315986.db2.gz UMUPQEIPINDSLN-LBPRGKRZSA-N -1 1 387.469 0.980 20 0 GCADMM O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)[N-]Cc1nc(C2CC2)no1 ZINC000826486100 608330757 /nfs/dbraw/zinc/33/07/57/608330757.db2.gz OZJQVWFSUHFBPS-UHFFFAOYSA-N -1 1 379.377 0.886 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000824469938 608340241 /nfs/dbraw/zinc/34/02/41/608340241.db2.gz DMKPZWAISBZHTF-GXSJLCMTSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000824469938 608340242 /nfs/dbraw/zinc/34/02/42/608340242.db2.gz DMKPZWAISBZHTF-GXSJLCMTSA-N -1 1 376.421 0.440 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCOC(C)(C)C2)n1 ZINC000824808859 608341230 /nfs/dbraw/zinc/34/12/30/608341230.db2.gz ZWWZBSKAFIWSMZ-UHFFFAOYSA-N -1 1 376.421 0.394 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCOC(C)(C)C2)n1 ZINC000824808859 608341233 /nfs/dbraw/zinc/34/12/33/608341233.db2.gz ZWWZBSKAFIWSMZ-UHFFFAOYSA-N -1 1 376.421 0.394 20 0 GCADMM CN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825908880 608350518 /nfs/dbraw/zinc/35/05/18/608350518.db2.gz NUOKKMAHMVUIDN-LLVKDONJSA-N -1 1 390.448 0.784 20 0 GCADMM CN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825908880 608350521 /nfs/dbraw/zinc/35/05/21/608350521.db2.gz NUOKKMAHMVUIDN-LLVKDONJSA-N -1 1 390.448 0.784 20 0 GCADMM CC(C)CCOCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824249905 608350735 /nfs/dbraw/zinc/35/07/35/608350735.db2.gz WUFIWQIZIQVTRJ-UHFFFAOYSA-N -1 1 392.464 0.936 20 0 GCADMM CC(C)CCOCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824249905 608350737 /nfs/dbraw/zinc/35/07/37/608350737.db2.gz WUFIWQIZIQVTRJ-UHFFFAOYSA-N -1 1 392.464 0.936 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2cccc(O)c2)n1 ZINC000824147175 608352779 /nfs/dbraw/zinc/35/27/79/608352779.db2.gz AQIOUVWQWVJURT-UHFFFAOYSA-N -1 1 398.427 0.821 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2cccc(O)c2)n1 ZINC000824147175 608352780 /nfs/dbraw/zinc/35/27/80/608352780.db2.gz AQIOUVWQWVJURT-UHFFFAOYSA-N -1 1 398.427 0.821 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2cccc(CO)c2)n1 ZINC000824147953 608352923 /nfs/dbraw/zinc/35/29/23/608352923.db2.gz JIRUMJDUJJQZIU-UHFFFAOYSA-N -1 1 398.427 0.565 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2cccc(CO)c2)n1 ZINC000824147953 608352925 /nfs/dbraw/zinc/35/29/25/608352925.db2.gz JIRUMJDUJJQZIU-UHFFFAOYSA-N -1 1 398.427 0.565 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2ccc(O)cc2)n1 ZINC000824148379 608353103 /nfs/dbraw/zinc/35/31/03/608353103.db2.gz SGUJMIJNYCCQQE-UHFFFAOYSA-N -1 1 398.427 0.821 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2ccc(O)cc2)n1 ZINC000824148379 608353105 /nfs/dbraw/zinc/35/31/05/608353105.db2.gz SGUJMIJNYCCQQE-UHFFFAOYSA-N -1 1 398.427 0.821 20 0 GCADMM CCCOC(=O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825338564 608353560 /nfs/dbraw/zinc/35/35/60/608353560.db2.gz DBVHHFDINVSCNX-UHFFFAOYSA-N -1 1 392.420 0.216 20 0 GCADMM CCCOC(=O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825338564 608353561 /nfs/dbraw/zinc/35/35/61/608353561.db2.gz DBVHHFDINVSCNX-UHFFFAOYSA-N -1 1 392.420 0.216 20 0 GCADMM C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824690259 608354178 /nfs/dbraw/zinc/35/41/78/608354178.db2.gz RNEYBYFDVJAIBV-UWVGGRQHSA-N -1 1 378.437 0.280 20 0 GCADMM C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824690259 608354180 /nfs/dbraw/zinc/35/41/80/608354180.db2.gz RNEYBYFDVJAIBV-UWVGGRQHSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)C[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824237094 608354265 /nfs/dbraw/zinc/35/42/65/608354265.db2.gz QUQSWLVQBDHBIG-JTQLQIEISA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)C[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824237094 608354266 /nfs/dbraw/zinc/35/42/66/608354266.db2.gz QUQSWLVQBDHBIG-JTQLQIEISA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)n1 ZINC000824148235 608354301 /nfs/dbraw/zinc/35/43/01/608354301.db2.gz POYXXNGUPOSDIC-PWSUYJOCSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)n1 ZINC000824148235 608354303 /nfs/dbraw/zinc/35/43/03/608354303.db2.gz POYXXNGUPOSDIC-PWSUYJOCSA-N -1 1 390.448 0.424 20 0 GCADMM CCC[C@H](CCO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825242100 608354846 /nfs/dbraw/zinc/35/48/46/608354846.db2.gz IIWNDHNFHIIRAG-LLVKDONJSA-N -1 1 392.464 0.672 20 0 GCADMM CCC[C@H](CCO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825242100 608354848 /nfs/dbraw/zinc/35/48/48/608354848.db2.gz IIWNDHNFHIIRAG-LLVKDONJSA-N -1 1 392.464 0.672 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(CCO)CCC2)n1 ZINC000824148533 608357757 /nfs/dbraw/zinc/35/77/57/608357757.db2.gz YTZZULUHMJNTIX-UHFFFAOYSA-N -1 1 390.448 0.426 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2(CCO)CCC2)n1 ZINC000824148533 608357759 /nfs/dbraw/zinc/35/77/59/608357759.db2.gz YTZZULUHMJNTIX-UHFFFAOYSA-N -1 1 390.448 0.426 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)n1 ZINC000824838483 608357896 /nfs/dbraw/zinc/35/78/96/608357896.db2.gz QKVFPJSRRPLTIQ-MRXNPFEDSA-N -1 1 376.421 0.130 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)n1 ZINC000824838483 608357898 /nfs/dbraw/zinc/35/78/98/608357898.db2.gz QKVFPJSRRPLTIQ-MRXNPFEDSA-N -1 1 376.421 0.130 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2ccc(F)cn2)n1 ZINC000824147249 608358014 /nfs/dbraw/zinc/35/80/14/608358014.db2.gz BBPCJDLWOASZOQ-UHFFFAOYSA-N -1 1 387.379 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2ccc(F)cn2)n1 ZINC000824147249 608358015 /nfs/dbraw/zinc/35/80/15/608358015.db2.gz 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0 GCADMM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Cn3ccnc3-c3nn[n-]n3)CC2)C1 ZINC000824935365 608887629 /nfs/dbraw/zinc/88/76/29/608887629.db2.gz AEHAGCIPPSGORV-CYBMUJFWSA-N -1 1 386.460 0.560 20 0 GCADMM Cc1nnc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)s1 ZINC000826335738 609138353 /nfs/dbraw/zinc/13/83/53/609138353.db2.gz ZIQJGSYGZIECSL-UHFFFAOYSA-N -1 1 398.456 0.935 20 0 GCADMM Cc1nnc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)s1 ZINC000826335738 609138356 /nfs/dbraw/zinc/13/83/56/609138356.db2.gz ZIQJGSYGZIECSL-UHFFFAOYSA-N -1 1 398.456 0.935 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000825929446 609158138 /nfs/dbraw/zinc/15/81/38/609158138.db2.gz FXQCXPDUBFULTQ-UHFFFAOYSA-N -1 1 383.420 0.936 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000825929446 609158139 /nfs/dbraw/zinc/15/81/39/609158139.db2.gz FXQCXPDUBFULTQ-UHFFFAOYSA-N -1 1 383.420 0.936 20 0 GCADMM CNS(=O)(=O)CCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826090032 609236864 /nfs/dbraw/zinc/23/68/64/609236864.db2.gz BWHPMRDSZHFPQS-UHFFFAOYSA-N -1 1 394.413 0.655 20 0 GCADMM CNS(=O)(=O)CCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826090032 609236865 /nfs/dbraw/zinc/23/68/65/609236865.db2.gz BWHPMRDSZHFPQS-UHFFFAOYSA-N -1 1 394.413 0.655 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc(=O)[nH]1 ZINC000826258339 609259854 /nfs/dbraw/zinc/25/98/54/609259854.db2.gz HTBYRTHRWSBFEU-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc(=O)[nH]1 ZINC000826258339 609259856 /nfs/dbraw/zinc/25/98/56/609259856.db2.gz HTBYRTHRWSBFEU-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM Cn1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(=O)[nH]c1=O ZINC000826359097 609287720 /nfs/dbraw/zinc/28/77/20/609287720.db2.gz VSSDQVRRFONOIL-UHFFFAOYSA-N -1 1 397.330 0.243 20 0 GCADMM Cn1nc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ccc1=O ZINC000826366138 609289639 /nfs/dbraw/zinc/28/96/39/609289639.db2.gz VAEODFDXJHHTBC-UHFFFAOYSA-N -1 1 381.331 0.538 20 0 GCADMM COCC(=O)N(C)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826147996 609292481 /nfs/dbraw/zinc/29/24/81/609292481.db2.gz UPLOHRCNVLUVCF-UHFFFAOYSA-N -1 1 388.363 0.235 20 0 GCADMM CCOC(=O)CCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825511746 609298924 /nfs/dbraw/zinc/29/89/24/609298924.db2.gz CZPTUQNBFBPPFC-UHFFFAOYSA-N -1 1 379.425 0.089 20 0 GCADMM CCOC(=O)CCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825511746 609298925 /nfs/dbraw/zinc/29/89/25/609298925.db2.gz CZPTUQNBFBPPFC-UHFFFAOYSA-N -1 1 379.425 0.089 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000825930082 609299167 /nfs/dbraw/zinc/29/91/67/609299167.db2.gz PLIBKCLXUFDYQO-ZETCQYMHSA-N -1 1 388.263 0.940 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000825930082 609299170 /nfs/dbraw/zinc/29/91/70/609299170.db2.gz PLIBKCLXUFDYQO-ZETCQYMHSA-N -1 1 388.263 0.940 20 0 GCADMM COc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000826197396 609299512 /nfs/dbraw/zinc/29/95/12/609299512.db2.gz NISCKFYQKJTBJP-UHFFFAOYSA-N -1 1 386.420 0.350 20 0 GCADMM COc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000826197396 609299514 /nfs/dbraw/zinc/29/95/14/609299514.db2.gz NISCKFYQKJTBJP-UHFFFAOYSA-N -1 1 386.420 0.350 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCSC(F)(F)F ZINC000825930368 609301064 /nfs/dbraw/zinc/30/10/64/609301064.db2.gz VCYQNHCZSFZLGI-UHFFFAOYSA-N -1 1 393.399 0.999 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCSC(F)(F)F ZINC000825930368 609301065 /nfs/dbraw/zinc/30/10/65/609301065.db2.gz VCYQNHCZSFZLGI-UHFFFAOYSA-N -1 1 393.399 0.999 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000825929547 609302715 /nfs/dbraw/zinc/30/27/15/609302715.db2.gz HRUBAWXGBCNXGU-HHHXNRCGSA-N -1 1 397.509 0.293 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000825929547 609302717 /nfs/dbraw/zinc/30/27/17/609302717.db2.gz HRUBAWXGBCNXGU-HHHXNRCGSA-N -1 1 397.509 0.293 20 0 GCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826334445 609303510 /nfs/dbraw/zinc/30/35/10/609303510.db2.gz VMLWPLQNCKFTCN-SECBINFHSA-N -1 1 387.452 0.549 20 0 GCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826334445 609303511 /nfs/dbraw/zinc/30/35/11/609303511.db2.gz VMLWPLQNCKFTCN-SECBINFHSA-N -1 1 387.452 0.549 20 0 GCADMM CCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCOCC1 ZINC000825170492 609303799 /nfs/dbraw/zinc/30/37/99/609303799.db2.gz AIJOBPIUDRJFAS-UHFFFAOYSA-N -1 1 391.480 0.953 20 0 GCADMM CCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCOCC1 ZINC000825170492 609303801 /nfs/dbraw/zinc/30/38/01/609303801.db2.gz AIJOBPIUDRJFAS-UHFFFAOYSA-N -1 1 391.480 0.953 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCC(C)(C)CO ZINC000825930781 609304346 /nfs/dbraw/zinc/30/43/46/609304346.db2.gz ZBJSXIBWJYZTTD-UHFFFAOYSA-N -1 1 379.469 0.545 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCC(C)(C)CO ZINC000825930781 609304349 /nfs/dbraw/zinc/30/43/49/609304349.db2.gz ZBJSXIBWJYZTTD-UHFFFAOYSA-N -1 1 379.469 0.545 20 0 GCADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825132590 609309130 /nfs/dbraw/zinc/30/91/30/609309130.db2.gz BETFWCMVRHOREK-PWSUYJOCSA-N -1 1 377.453 0.704 20 0 GCADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825132590 609309132 /nfs/dbraw/zinc/30/91/32/609309132.db2.gz BETFWCMVRHOREK-PWSUYJOCSA-N -1 1 377.453 0.704 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824893831 609309202 /nfs/dbraw/zinc/30/92/02/609309202.db2.gz VJHCWFKDBKFHQZ-JGPRNRPPSA-N -1 1 377.453 0.702 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824893831 609309204 /nfs/dbraw/zinc/30/92/04/609309204.db2.gz VJHCWFKDBKFHQZ-JGPRNRPPSA-N -1 1 377.453 0.702 20 0 GCADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825132589 609309382 /nfs/dbraw/zinc/30/93/82/609309382.db2.gz BETFWCMVRHOREK-JQWIXIFHSA-N -1 1 377.453 0.704 20 0 GCADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825132589 609309384 /nfs/dbraw/zinc/30/93/84/609309384.db2.gz BETFWCMVRHOREK-JQWIXIFHSA-N -1 1 377.453 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000825930673 609309854 /nfs/dbraw/zinc/30/98/54/609309854.db2.gz WEYNFNAHXMKULD-SNVBAGLBSA-N -1 1 385.436 0.027 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccn2ccnc2c1 ZINC000825929429 609309994 /nfs/dbraw/zinc/30/99/94/609309994.db2.gz FOZWSDDZXOHODU-UHFFFAOYSA-N -1 1 395.431 0.594 20 0 GCADMM CCN1CCOC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825465694 609313108 /nfs/dbraw/zinc/31/31/08/609313108.db2.gz PTFDGCQFATZCSK-ZDUSSCGKSA-N -1 1 386.391 0.851 20 0 GCADMM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826129387 609329025 /nfs/dbraw/zinc/32/90/25/609329025.db2.gz QETZADBLUTUCGB-MWLCHTKSSA-N -1 1 399.404 0.347 20 0 GCADMM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826129387 609329027 /nfs/dbraw/zinc/32/90/27/609329027.db2.gz QETZADBLUTUCGB-MWLCHTKSSA-N -1 1 399.404 0.347 20 0 GCADMM O=C(NCCn1cncn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826440539 609359030 /nfs/dbraw/zinc/35/90/30/609359030.db2.gz QKZMDVRUWYXMMR-UHFFFAOYSA-N -1 1 383.351 0.605 20 0 GCADMM C[S@](=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826224818 609359059 /nfs/dbraw/zinc/35/90/59/609359059.db2.gz MKZUQVDKGQAUSE-SANMLTNESA-N -1 1 378.393 0.692 20 0 GCADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N(C)C ZINC000826231815 609359324 /nfs/dbraw/zinc/35/93/24/609359324.db2.gz BFLBSAPLVHPWGM-SECBINFHSA-N -1 1 387.379 0.790 20 0 GCADMM O=C(NCCOCCO)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826438601 609364527 /nfs/dbraw/zinc/36/45/27/609364527.db2.gz JKXTXUOKBMHINV-UHFFFAOYSA-N -1 1 376.352 0.322 20 0 GCADMM C[C@H](CCO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824407718 609367685 /nfs/dbraw/zinc/36/76/85/609367685.db2.gz ZBEZDYKYTSBPSC-SECBINFHSA-N -1 1 388.363 0.017 20 0 GCADMM COC[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826148461 609369038 /nfs/dbraw/zinc/36/90/38/609369038.db2.gz JBDXMTYMISDBNI-SECBINFHSA-N -1 1 388.363 0.281 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N[C@@H]1CCOC1 ZINC000826458198 609369232 /nfs/dbraw/zinc/36/92/32/609369232.db2.gz HPTCLYZCIUVDSN-SECBINFHSA-N -1 1 386.347 0.035 20 0 GCADMM COC[C@@](C)(CCO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826148926 609397290 /nfs/dbraw/zinc/39/72/90/609397290.db2.gz UNGPIJMWRCVLPX-QGZVFWFLSA-N -1 1 378.433 0.420 20 0 GCADMM O=C(NN1CC(=O)[N-]C1=O)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826481247 609405668 /nfs/dbraw/zinc/40/56/68/609405668.db2.gz MRDVLTQOAGFBJD-UHFFFAOYSA-N -1 1 379.336 0.856 20 0 GCADMM CNC(=O)[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCO1 ZINC000826060656 609418464 /nfs/dbraw/zinc/41/84/64/609418464.db2.gz QHBCUKLFEBJTAO-NSHDSACASA-N -1 1 385.384 0.146 20 0 GCADMM CNC(=O)[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCO1 ZINC000826060656 609418467 /nfs/dbraw/zinc/41/84/67/609418467.db2.gz QHBCUKLFEBJTAO-NSHDSACASA-N -1 1 385.384 0.146 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccccc2C(=O)OC)c1=O ZINC000825797140 609448293 /nfs/dbraw/zinc/44/82/93/609448293.db2.gz VQEMXICCMBTDBH-UHFFFAOYSA-N -1 1 386.368 0.076 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)c1-c1nnn[n-]1 ZINC000826345311 609468547 /nfs/dbraw/zinc/46/85/47/609468547.db2.gz IPMJDCLRRFNTMC-JTQLQIEISA-N -1 1 394.395 0.620 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)c1-c1nn[n-]n1 ZINC000826345311 609468549 /nfs/dbraw/zinc/46/85/49/609468549.db2.gz IPMJDCLRRFNTMC-JTQLQIEISA-N -1 1 394.395 0.620 20 0 GCADMM Cc1onc(CC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000826345867 609469074 /nfs/dbraw/zinc/46/90/74/609469074.db2.gz WKINPBUFQZNULN-LBPRGKRZSA-N -1 1 381.396 0.907 20 0 GCADMM Cc1onc(CC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC000826345867 609469075 /nfs/dbraw/zinc/46/90/75/609469075.db2.gz WKINPBUFQZNULN-LBPRGKRZSA-N -1 1 381.396 0.907 20 0 GCADMM CC(C)c1nc([C@H]2COCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)no1 ZINC000824358253 609494194 /nfs/dbraw/zinc/49/41/94/609494194.db2.gz DUGUPLPCPYPEQN-SNVBAGLBSA-N -1 1 388.392 0.712 20 0 GCADMM CC(C)c1nc([C@H]2COCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)no1 ZINC000824358253 609494195 /nfs/dbraw/zinc/49/41/95/609494195.db2.gz DUGUPLPCPYPEQN-SNVBAGLBSA-N -1 1 388.392 0.712 20 0 GCADMM O=c1c(Br)c[nH]cc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492819 609531043 /nfs/dbraw/zinc/53/10/43/609531043.db2.gz FZTABVOGHHZOAR-UHFFFAOYSA-N -1 1 398.202 0.513 20 0 GCADMM O=c1c(Br)c[nH]cc1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492819 609531046 /nfs/dbraw/zinc/53/10/46/609531046.db2.gz FZTABVOGHHZOAR-UHFFFAOYSA-N -1 1 398.202 0.513 20 0 GCADMM CC(C)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1=O ZINC000824300077 609584283 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JETXETBZRCWDBB-CYBMUJFWSA-N -1 1 385.380 0.138 20 0 GCADMM CCOC(=O)c1nc2n(n1)CCN(C(=O)c1cnc(-c3ccccn3)[n-]c1=O)C2 ZINC001190618961 1206039170 /nfs/dbraw/zinc/03/91/70/1206039170.db2.gz QBMUXWOFSZZYND-UHFFFAOYSA-N -1 1 395.379 0.668 20 0 GCADMM CS(=O)(=O)N1CCC(CNC(=O)c2cnc(-c3ccccn3)[n-]c2=O)CC1 ZINC001190637263 1206041176 /nfs/dbraw/zinc/04/11/76/1206041176.db2.gz AYDLWDAIZOJNAD-UHFFFAOYSA-N -1 1 391.453 0.646 20 0 GCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)c(=O)[nH]c1=O ZINC001190645538 1206041314 /nfs/dbraw/zinc/04/13/14/1206041314.db2.gz HQDIQPTWJKQNNK-UHFFFAOYSA-N -1 1 379.316 0.705 20 0 GCADMM COCCOc1nccc(CNC(=O)c2cnc(-c3ccccn3)[n-]c2=O)n1 ZINC001190638287 1206041345 /nfs/dbraw/zinc/04/13/45/1206041345.db2.gz WTQVKPBJYFTUGH-UHFFFAOYSA-N -1 1 382.380 0.989 20 0 GCADMM Cc1nc2nc[nH]c2c(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])n1 ZINC001191016384 1206053155 /nfs/dbraw/zinc/05/31/55/1206053155.db2.gz AENVSDCAKCRPPM-UHFFFAOYSA-N -1 1 382.789 0.920 20 0 GCADMM CN1CCN(c2cc(CNC(=O)N[C@@]3(C(=O)[O-])CCSC3)ccn2)CC1 ZINC001119638471 939815150 /nfs/dbraw/zinc/81/51/50/939815150.db2.gz NORCIUVJFTYQED-KRWDZBQOSA-N -1 1 379.486 0.593 20 0 GCADMM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571258926 945369073 /nfs/dbraw/zinc/36/90/73/945369073.db2.gz AHKFRTNVQGUVOE-IJLUTSLNSA-N -1 1 385.432 0.165 20 0 GCADMM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571258926 945369082 /nfs/dbraw/zinc/36/90/82/945369082.db2.gz AHKFRTNVQGUVOE-IJLUTSLNSA-N -1 1 385.432 0.165 20 0 GCADMM COc1cc(Cl)c(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1OC ZINC001611033526 970858856 /nfs/dbraw/zinc/85/88/56/970858856.db2.gz PRMNEBPLWHMBBE-UHFFFAOYSA-N -1 1 380.850 0.994 20 0 GCADMM CCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736592256 944850665 /nfs/dbraw/zinc/85/06/65/944850665.db2.gz BJWRBFCFQQZVOP-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736601484 944853915 /nfs/dbraw/zinc/85/39/15/944853915.db2.gz YXMKKRBNUCNIKZ-UHFFFAOYSA-N -1 1 384.393 0.469 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCC(=O)N1 ZINC001571259123 945377836 /nfs/dbraw/zinc/37/78/36/945377836.db2.gz COHDBVIPRNDLNT-DINDLPBHSA-N -1 1 385.432 0.165 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCC(=O)N1 ZINC001571259123 945377848 /nfs/dbraw/zinc/37/78/48/945377848.db2.gz COHDBVIPRNDLNT-DINDLPBHSA-N -1 1 385.432 0.165 20 0 GCADMM CC[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)N1CCCC1=O ZINC001571259754 945398714 /nfs/dbraw/zinc/39/87/14/945398714.db2.gz QOHLHKUSSSQJKL-WCQYABFASA-N -1 1 385.432 0.071 20 0 GCADMM CC[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)N1CCCC1=O ZINC001571259754 945398719 /nfs/dbraw/zinc/39/87/19/945398719.db2.gz QOHLHKUSSSQJKL-WCQYABFASA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@]1(C(=O)NC2CCC(Oc3ncccc3-c3nn[n-]n3)CC2)CCC(=O)N1 ZINC001571260212 945410455 /nfs/dbraw/zinc/41/04/55/945410455.db2.gz YDALEPQBWLPVOP-GFJXOLGBSA-N -1 1 385.428 0.737 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)Cc1cscn1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571261362 945424618 /nfs/dbraw/zinc/42/46/18/945424618.db2.gz DGPVAQRGZJMPJU-LBPRGKRZSA-N -1 1 385.457 0.783 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(=O)c3ccsn3)C2)n1 ZINC001571261277 945424822 /nfs/dbraw/zinc/42/48/22/945424822.db2.gz CPCQXTCDAGUBSB-JTQLQIEISA-N -1 1 385.457 0.932 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(=O)c3ccsn3)C2)n1 ZINC001571261277 945424829 /nfs/dbraw/zinc/42/48/29/945424829.db2.gz CPCQXTCDAGUBSB-JTQLQIEISA-N -1 1 385.457 0.932 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)Cc1cscn1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571261361 945425128 /nfs/dbraw/zinc/42/51/28/945425128.db2.gz DGPVAQRGZJMPJU-GFCCVEGCSA-N -1 1 385.457 0.783 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)c3cscn3)[C@H](C)C2)n1 ZINC001571262379 945436696 /nfs/dbraw/zinc/43/66/96/945436696.db2.gz QSYWIJCOITZTAV-MWLCHTKSSA-N -1 1 385.457 0.924 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)c3cscn3)[C@H](C)C2)n1 ZINC001571262379 945436704 /nfs/dbraw/zinc/43/67/04/945436704.db2.gz QSYWIJCOITZTAV-MWLCHTKSSA-N -1 1 385.457 0.924 20 0 GCADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)n2cccn2)c1-c1nn[n-]n1 ZINC001571262917 945445337 /nfs/dbraw/zinc/44/53/37/945445337.db2.gz BZVFEIAMTSBELK-MEWQQHAOSA-N -1 1 385.457 0.640 20 0 GCADMM Cc1nc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571263288 945456115 /nfs/dbraw/zinc/45/61/15/945456115.db2.gz MBZIOPLRDKIZRQ-NSHDSACASA-N -1 1 385.457 0.869 20 0 GCADMM Cc1nc(CC(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001571263614 945463074 /nfs/dbraw/zinc/46/30/74/945463074.db2.gz UYPAGLRVCYEWJA-UHFFFAOYSA-N -1 1 385.457 0.971 20 0 GCADMM Cc1nc(CC(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001571263614 945463079 /nfs/dbraw/zinc/46/30/79/945463079.db2.gz UYPAGLRVCYEWJA-UHFFFAOYSA-N -1 1 385.457 0.971 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1nccs1 ZINC001571263651 945463791 /nfs/dbraw/zinc/46/37/91/945463791.db2.gz VTRUUAODOUHRJY-WDEREUQCSA-N -1 1 385.457 0.936 20 0 GCADMM O=C(c1cncc(Cl)c1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265817 945520403 /nfs/dbraw/zinc/52/04/03/945520403.db2.gz PPWBKSTWQODUPO-GFCCVEGCSA-N -1 1 385.819 0.844 20 0 GCADMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncc(-c3nnn[n-]3)s1)C2=O ZINC000820697623 945529137 /nfs/dbraw/zinc/52/91/37/945529137.db2.gz JPQBSWXLJVOCKH-VXJOIVPMSA-N -1 1 390.429 0.762 20 0 GCADMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncc(-c3nn[n-]n3)s1)C2=O ZINC000820697623 945529145 /nfs/dbraw/zinc/52/91/45/945529145.db2.gz JPQBSWXLJVOCKH-VXJOIVPMSA-N -1 1 390.429 0.762 20 0 GCADMM CCCC(=O)N1CCN([C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571266486 945543673 /nfs/dbraw/zinc/54/36/73/945543673.db2.gz RSTAARCHPSWRNH-AWEZNQCLSA-N -1 1 385.476 0.488 20 0 GCADMM CCOC(=O)c1cc(OCC)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001571266876 945553737 /nfs/dbraw/zinc/55/37/37/945553737.db2.gz AYLUIEQTRXCQSH-UHFFFAOYSA-N -1 1 386.372 0.672 20 0 GCADMM Cc1cc(F)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(F)c1 ZINC001571266996 945558487 /nfs/dbraw/zinc/55/84/87/945558487.db2.gz FSWBZMIVZMHVAI-SNVBAGLBSA-N -1 1 386.366 0.992 20 0 GCADMM COC(=O)Nc1ccc(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001571267353 945566952 /nfs/dbraw/zinc/56/69/52/945566952.db2.gz ROXYNBAVTDKWPL-UHFFFAOYSA-N -1 1 386.376 0.136 20 0 GCADMM O=C(Cc1c(F)cccc1F)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571267454 945571270 /nfs/dbraw/zinc/57/12/70/945571270.db2.gz VQQBACWSPGUVOC-UHFFFAOYSA-N -1 1 386.366 0.826 20 0 GCADMM O=C(Cc1c(F)cccc1F)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571267454 945571278 /nfs/dbraw/zinc/57/12/78/945571278.db2.gz VQQBACWSPGUVOC-UHFFFAOYSA-N -1 1 386.366 0.826 20 0 GCADMM C[C@H]1CN(C(=O)c2cc(F)ccc2F)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571267592 945573722 /nfs/dbraw/zinc/57/37/22/945573722.db2.gz ZHNUTXFMKIGAKU-ZANVPECISA-N -1 1 386.366 0.929 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](C)(NC(=O)C3=COCCO3)C2)n1 ZINC001571267698 945577596 /nfs/dbraw/zinc/57/75/96/945577596.db2.gz BWPWCMNNUCNBFS-QGZVFWFLSA-N -1 1 386.416 0.192 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](C)(NC(=O)C3=COCCO3)C2)n1 ZINC001571267698 945577599 /nfs/dbraw/zinc/57/75/99/945577599.db2.gz BWPWCMNNUCNBFS-QGZVFWFLSA-N -1 1 386.416 0.192 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571267760 945578335 /nfs/dbraw/zinc/57/83/35/945578335.db2.gz DGRBIQOQGQWBLM-NSHDSACASA-N -1 1 386.416 0.192 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571267760 945578344 /nfs/dbraw/zinc/57/83/44/945578344.db2.gz DGRBIQOQGQWBLM-NSHDSACASA-N -1 1 386.416 0.192 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001571267860 945581764 /nfs/dbraw/zinc/58/17/64/945581764.db2.gz GUCYVYMRTNADFC-SMDDNHRTSA-N -1 1 386.416 0.031 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001571267860 945581772 /nfs/dbraw/zinc/58/17/72/945581772.db2.gz GUCYVYMRTNADFC-SMDDNHRTSA-N -1 1 386.416 0.031 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cnn(CCF)c1 ZINC001571267986 945583111 /nfs/dbraw/zinc/58/31/11/945583111.db2.gz KIPNRKFUPLOGHQ-LBPRGKRZSA-N -1 1 386.395 0.222 20 0 GCADMM CN(C(=O)c1cnn(CCF)c1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571268225 945590549 /nfs/dbraw/zinc/59/05/49/945590549.db2.gz ORQYYTRVVITRLF-LBPRGKRZSA-N -1 1 386.395 0.174 20 0 GCADMM CN(C(=O)c1cnn(CCF)c1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571268225 945590556 /nfs/dbraw/zinc/59/05/56/945590556.db2.gz ORQYYTRVVITRLF-LBPRGKRZSA-N -1 1 386.395 0.174 20 0 GCADMM O=C(c1cnn(CCF)c1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571268246 945591110 /nfs/dbraw/zinc/59/11/10/945591110.db2.gz PLNMERDCYPCPCS-GFCCVEGCSA-N -1 1 386.395 0.539 20 0 GCADMM O=C(c1cnn(CCF)c1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571268246 945591121 /nfs/dbraw/zinc/59/11/21/945591121.db2.gz PLNMERDCYPCPCS-GFCCVEGCSA-N -1 1 386.395 0.539 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(CCF)c1 ZINC001571268504 945598119 /nfs/dbraw/zinc/59/81/19/945598119.db2.gz UMKMLEOFCQOILT-UHFFFAOYSA-N -1 1 386.395 0.222 20 0 GCADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(CCF)c1 ZINC001571268504 945598129 /nfs/dbraw/zinc/59/81/29/945598129.db2.gz UMKMLEOFCQOILT-UHFFFAOYSA-N -1 1 386.395 0.222 20 0 GCADMM CC1([C@H]2CCC[N@@H+](Cc3cc(=O)n4[n-]cc(-c5nnn[n-]5)c4n3)C2)OCCO1 ZINC001571268487 945598682 /nfs/dbraw/zinc/59/86/82/945598682.db2.gz UAWDGTTYOQBDGI-NSHDSACASA-N -1 1 386.416 0.590 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(CCF)c1 ZINC001571268883 945607691 /nfs/dbraw/zinc/60/76/91/945607691.db2.gz YEIRMZZASLAZNJ-KLPPZKSPSA-N -1 1 386.395 0.443 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(CCF)c1 ZINC001571268883 945607695 /nfs/dbraw/zinc/60/76/95/945607695.db2.gz YEIRMZZASLAZNJ-KLPPZKSPSA-N -1 1 386.395 0.443 20 0 GCADMM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001571269229 945615568 /nfs/dbraw/zinc/61/55/68/945615568.db2.gz SPYAQMNYLCFMRN-UHFFFAOYSA-N -1 1 386.437 0.866 20 0 GCADMM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001571269229 945615581 /nfs/dbraw/zinc/61/55/81/945615581.db2.gz SPYAQMNYLCFMRN-UHFFFAOYSA-N -1 1 386.437 0.866 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571269462 945621438 /nfs/dbraw/zinc/62/14/38/945621438.db2.gz YVLDIRWRDWVZSY-VXGBXAGGSA-N -1 1 386.416 0.693 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571269462 945621445 /nfs/dbraw/zinc/62/14/45/945621445.db2.gz YVLDIRWRDWVZSY-VXGBXAGGSA-N -1 1 386.416 0.693 20 0 GCADMM Cc1sccc1C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269683 945622793 /nfs/dbraw/zinc/62/27/93/945622793.db2.gz CBJJACKDLOZARY-NSHDSACASA-N -1 1 386.441 0.980 20 0 GCADMM Cc1sccc1C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269683 945622796 /nfs/dbraw/zinc/62/27/96/945622796.db2.gz CBJJACKDLOZARY-NSHDSACASA-N -1 1 386.441 0.980 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)c1cnns1 ZINC001571269686 945622944 /nfs/dbraw/zinc/62/29/44/945622944.db2.gz CFPIDKCFZJDCTO-SNVBAGLBSA-N -1 1 386.445 0.687 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)c1cnns1 ZINC001571269686 945622946 /nfs/dbraw/zinc/62/29/46/945622946.db2.gz CFPIDKCFZJDCTO-SNVBAGLBSA-N -1 1 386.445 0.687 20 0 GCADMM COCc1csc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571269649 945623098 /nfs/dbraw/zinc/62/30/98/945623098.db2.gz BNUJSLKVCCVQCL-NSHDSACASA-N -1 1 386.441 0.873 20 0 GCADMM COCc1csc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269649 945623102 /nfs/dbraw/zinc/62/31/02/945623102.db2.gz BNUJSLKVCCVQCL-NSHDSACASA-N -1 1 386.441 0.873 20 0 GCADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cncn2)c1-c1nn[n-]n1 ZINC001571269859 945625476 /nfs/dbraw/zinc/62/54/76/945625476.db2.gz FJCRKBJKIALQOC-PHIMTYICSA-N -1 1 386.445 0.103 20 0 GCADMM O=C(c1csnn1)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571269820 945625557 /nfs/dbraw/zinc/62/55/57/945625557.db2.gz DKCUYURXQPPKPW-JTQLQIEISA-N -1 1 386.445 0.427 20 0 GCADMM Cc1cscc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571269910 945628050 /nfs/dbraw/zinc/62/80/50/945628050.db2.gz HQERVNAAOBGXQP-YPMHNXCESA-N -1 1 386.441 0.396 20 0 GCADMM Cc1cscc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571269910 945628053 /nfs/dbraw/zinc/62/80/53/945628053.db2.gz HQERVNAAOBGXQP-YPMHNXCESA-N -1 1 386.441 0.396 20 0 GCADMM COc1csc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571270043 945631983 /nfs/dbraw/zinc/63/19/83/945631983.db2.gz LFYBSPHKCZATIN-AOOOYVTPSA-N -1 1 386.441 0.769 20 0 GCADMM O=C(c1csnn1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270214 945632046 /nfs/dbraw/zinc/63/20/46/945632046.db2.gz NPCBUQMOGOBQOV-JTQLQIEISA-N -1 1 386.445 0.863 20 0 GCADMM O=C(c1csnn1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270214 945632050 /nfs/dbraw/zinc/63/20/50/945632050.db2.gz NPCBUQMOGOBQOV-JTQLQIEISA-N -1 1 386.445 0.863 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@H](NC(=O)c3cnns3)C2)n1 ZINC001571270290 945632954 /nfs/dbraw/zinc/63/29/54/945632954.db2.gz PICHKHIZKZOLJH-UWVGGRQHSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@H](NC(=O)c3cnns3)C2)n1 ZINC001571270290 945632958 /nfs/dbraw/zinc/63/29/58/945632958.db2.gz PICHKHIZKZOLJH-UWVGGRQHSA-N -1 1 386.445 0.970 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC001571270324 945634696 /nfs/dbraw/zinc/63/46/96/945634696.db2.gz QEGYIKDSGZUCRQ-ZJUUUORDSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC001571270324 945634703 /nfs/dbraw/zinc/63/47/03/945634703.db2.gz QEGYIKDSGZUCRQ-ZJUUUORDSA-N -1 1 386.445 0.861 20 0 GCADMM COc1ccsc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571270512 945636998 /nfs/dbraw/zinc/63/69/98/945636998.db2.gz UIOPDPOISSXVCJ-ZJUUUORDSA-N -1 1 386.441 0.864 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cccnc3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571270437 945637527 /nfs/dbraw/zinc/63/75/27/945637527.db2.gz TYYNEZBTVRRGLA-NEPJUHHUSA-N -1 1 386.441 0.396 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)c1csnn1 ZINC001571270586 945638404 /nfs/dbraw/zinc/63/84/04/945638404.db2.gz WBKIXIBOANQQCZ-LLVKDONJSA-N -1 1 386.445 0.543 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)c1csnn1 ZINC001571270586 945638408 /nfs/dbraw/zinc/63/84/08/945638408.db2.gz WBKIXIBOANQQCZ-LLVKDONJSA-N -1 1 386.445 0.543 20 0 GCADMM O=C(c1ccsc1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571270617 945639196 /nfs/dbraw/zinc/63/91/96/945639196.db2.gz WWZCLZIJRWFJEB-UHFFFAOYSA-N -1 1 386.441 0.797 20 0 GCADMM O=C(c1ccsc1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571270617 945639201 /nfs/dbraw/zinc/63/92/01/945639201.db2.gz WWZCLZIJRWFJEB-UHFFFAOYSA-N -1 1 386.441 0.797 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccccc1Cl ZINC001571271697 945649071 /nfs/dbraw/zinc/64/90/71/945649071.db2.gz HMRNJFDTPHSVON-OLZOCXBDSA-N -1 1 386.803 0.290 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccccc1Cl ZINC001571271697 945649075 /nfs/dbraw/zinc/64/90/75/945649075.db2.gz HMRNJFDTPHSVON-OLZOCXBDSA-N -1 1 386.803 0.290 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C3(C)CCC3)[C@@H](O)C2)n1 ZINC001571272216 945657627 /nfs/dbraw/zinc/65/76/27/945657627.db2.gz BEJUKEVTRGAMPO-YPMHNXCESA-N -1 1 386.460 0.465 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C3(C)CCC3)[C@@H](O)C2)n1 ZINC001571272216 945657630 /nfs/dbraw/zinc/65/76/30/945657630.db2.gz BEJUKEVTRGAMPO-YPMHNXCESA-N -1 1 386.460 0.465 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCOC[C@H]3C)C2)n1 ZINC001571272465 945664479 /nfs/dbraw/zinc/66/44/79/945664479.db2.gz FIKDJSDEMLTWKD-ZRJCITRHSA-N -1 1 386.460 0.944 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCOC[C@H]3C)C2)n1 ZINC001571272465 945664484 /nfs/dbraw/zinc/66/44/84/945664484.db2.gz FIKDJSDEMLTWKD-ZRJCITRHSA-N -1 1 386.460 0.944 20 0 GCADMM COC1CCC(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001571272667 945667080 /nfs/dbraw/zinc/66/70/80/945667080.db2.gz HLVNCSXRHBDZAY-UHFFFAOYSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@@H]1CCN(C(=O)C[C@H]2CCOC2)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571272663 945667332 /nfs/dbraw/zinc/66/73/32/945667332.db2.gz HCUMXPJQZFORGT-MCIONIFRSA-N -1 1 386.460 0.544 20 0 GCADMM O=C(NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)C1CCCCCC1 ZINC001571272614 945667475 /nfs/dbraw/zinc/66/74/75/945667475.db2.gz GFLCEDIFDGHAJU-AWEZNQCLSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)C1CCCCCC1 ZINC001571272614 945667480 /nfs/dbraw/zinc/66/74/80/945667480.db2.gz GFLCEDIFDGHAJU-AWEZNQCLSA-N -1 1 386.460 0.949 20 0 GCADMM CCOC(=O)C1(O)CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000821319321 945668452 /nfs/dbraw/zinc/66/84/52/945668452.db2.gz CYUOABZEXLIQFK-UHFFFAOYSA-N -1 1 392.416 0.405 20 0 GCADMM C[C@@H](NC(=O)[C@H]1CCCCO1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571272708 945669465 /nfs/dbraw/zinc/66/94/65/945669465.db2.gz HZJMWFIHQRKYIA-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](NC(=O)[C@H]1CCCCO1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571272708 945669471 /nfs/dbraw/zinc/66/94/71/945669471.db2.gz HZJMWFIHQRKYIA-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2CCN(C(=O)[C@H]3CCOC3)CC2)n1 ZINC001571272788 945671336 /nfs/dbraw/zinc/67/13/36/945671336.db2.gz IHPSITKKDXVVCL-AWEZNQCLSA-N -1 1 386.460 0.676 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2CCN(C(=O)[C@H]3CCOC3)CC2)n1 ZINC001571272788 945671342 /nfs/dbraw/zinc/67/13/42/945671342.db2.gz IHPSITKKDXVVCL-AWEZNQCLSA-N -1 1 386.460 0.676 20 0 GCADMM CO[C@H]1CCC[C@@H](C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571272953 945675581 /nfs/dbraw/zinc/67/55/81/945675581.db2.gz LOJMIVWQIDKVIV-OCCSQVGLSA-N -1 1 386.460 0.687 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)C[C@H]3CCOC3)CC2)n1 ZINC001571272918 945675788 /nfs/dbraw/zinc/67/57/88/945675788.db2.gz KYKIVOOWUCOIPE-KGLIPLIRSA-N -1 1 386.460 0.867 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)C[C@H]3CCOC3)CC2)n1 ZINC001571272918 945675794 /nfs/dbraw/zinc/67/57/94/945675794.db2.gz KYKIVOOWUCOIPE-KGLIPLIRSA-N -1 1 386.460 0.867 20 0 GCADMM CO[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001571272957 945675997 /nfs/dbraw/zinc/67/59/97/945675997.db2.gz LPGLHBRQSZSFHN-CZUORRHYSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001571272957 945676005 /nfs/dbraw/zinc/67/60/05/945676005.db2.gz LPGLHBRQSZSFHN-CZUORRHYSA-N -1 1 386.460 0.899 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2CNC(=O)C2CCCC2)n1 ZINC001571273013 945677645 /nfs/dbraw/zinc/67/76/45/945677645.db2.gz MZADIIKVBTYSNY-ZDUSSCGKSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2CNC(=O)C2CCCC2)n1 ZINC001571273013 945677651 /nfs/dbraw/zinc/67/76/51/945677651.db2.gz MZADIIKVBTYSNY-ZDUSSCGKSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2CNC(=O)[C@@H]2CCCO2)n1 ZINC001571273060 945678106 /nfs/dbraw/zinc/67/81/06/945678106.db2.gz OEQTYDHIMMWWHA-OCCSQVGLSA-N -1 1 386.460 0.873 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2CNC(=O)[C@@H]2CCCO2)n1 ZINC001571273060 945678111 /nfs/dbraw/zinc/67/81/11/945678111.db2.gz OEQTYDHIMMWWHA-OCCSQVGLSA-N -1 1 386.460 0.873 20 0 GCADMM CO[C@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)C ZINC001571273027 945678299 /nfs/dbraw/zinc/67/82/99/945678299.db2.gz NJUZZPPFZDICHU-KBXCAEBGSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)C ZINC001571273027 945678303 /nfs/dbraw/zinc/67/83/03/945678303.db2.gz NJUZZPPFZDICHU-KBXCAEBGSA-N -1 1 386.460 0.757 20 0 GCADMM CN(C(=O)C[C@@H]1CCCO1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571273041 945678328 /nfs/dbraw/zinc/67/83/28/945678328.db2.gz NRTPCBUVGHZGFP-RUXDESIVSA-N -1 1 386.460 0.829 20 0 GCADMM CN(C(=O)C[C@H]1CC(C)(C)CO1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273156 945679514 /nfs/dbraw/zinc/67/95/14/945679514.db2.gz QTCJZJYFXLDVOG-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM CN(CC1CCN(C(=O)[C@@H]2CCCCO2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571273098 945680315 /nfs/dbraw/zinc/68/03/15/945680315.db2.gz PARBZAYPSOELOJ-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C[C@@H]3CCOC3)C(C)(C)C2)n1 ZINC001571273186 945681691 /nfs/dbraw/zinc/68/16/91/945681691.db2.gz SECYXSYBSFRKRV-GXTWGEPZSA-N -1 1 386.460 0.723 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C[C@@H]3CCOC3)C(C)(C)C2)n1 ZINC001571273186 945681699 /nfs/dbraw/zinc/68/16/99/945681699.db2.gz SECYXSYBSFRKRV-GXTWGEPZSA-N -1 1 386.460 0.723 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C[C@H]3CCCOC3)C2)n1 ZINC001571273204 945681846 /nfs/dbraw/zinc/68/18/46/945681846.db2.gz SMFPYCJMQRRDHD-CHWSQXEVSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C[C@H]3CCCOC3)C2)n1 ZINC001571273204 945681848 /nfs/dbraw/zinc/68/18/48/945681848.db2.gz SMFPYCJMQRRDHD-CHWSQXEVSA-N -1 1 386.460 0.731 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@]3(C)CCOC3)CC2)n1 ZINC001571273243 945684621 /nfs/dbraw/zinc/68/46/21/945684621.db2.gz TYMXZNHAXMJXNR-GOSISDBHSA-N -1 1 386.460 0.819 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@]3(C)CCOC3)CC2)n1 ZINC001571273243 945684627 /nfs/dbraw/zinc/68/46/27/945684627.db2.gz TYMXZNHAXMJXNR-GOSISDBHSA-N -1 1 386.460 0.819 20 0 GCADMM O=C(CC1CCOCC1)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273465 945687891 /nfs/dbraw/zinc/68/78/91/945687891.db2.gz XWJIYSMTDRSWHC-ZIAGYGMSSA-N -1 1 386.460 0.592 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]2C)n1 ZINC001571273405 945688607 /nfs/dbraw/zinc/68/86/07/945688607.db2.gz XAWIVOJVTUBUGA-AAEUAGOBSA-N -1 1 386.460 0.919 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]2C)n1 ZINC001571273405 945688616 /nfs/dbraw/zinc/68/86/16/945688616.db2.gz XAWIVOJVTUBUGA-AAEUAGOBSA-N -1 1 386.460 0.919 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(CCO)C2CCN(C(=O)C3CCC3)CC2)n1 ZINC001571273472 945688829 /nfs/dbraw/zinc/68/88/29/945688829.db2.gz XZKCWUGTMBFSPC-UHFFFAOYSA-N -1 1 386.460 0.555 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(CCO)C2CCN(C(=O)C3CCC3)CC2)n1 ZINC001571273472 945688836 /nfs/dbraw/zinc/68/88/36/945688836.db2.gz XZKCWUGTMBFSPC-UHFFFAOYSA-N -1 1 386.460 0.555 20 0 GCADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)C3CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273480 945689928 /nfs/dbraw/zinc/68/99/28/945689928.db2.gz YBECKJZLVRQYKX-AULYBMBSSA-N -1 1 386.460 0.952 20 0 GCADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)C3CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273480 945689932 /nfs/dbraw/zinc/68/99/32/945689932.db2.gz YBECKJZLVRQYKX-AULYBMBSSA-N -1 1 386.460 0.952 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)C ZINC001571273489 945690008 /nfs/dbraw/zinc/69/00/08/945690008.db2.gz YGYKHEPSSPRJEI-YDHLFZDLSA-N -1 1 386.460 0.897 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)C ZINC001571273489 945690012 /nfs/dbraw/zinc/69/00/12/945690012.db2.gz YGYKHEPSSPRJEI-YDHLFZDLSA-N -1 1 386.460 0.897 20 0 GCADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1c(F)cncc1F ZINC001571274374 945697456 /nfs/dbraw/zinc/69/74/56/945697456.db2.gz GGMKRNSUTKBWCA-UHFFFAOYSA-N -1 1 387.354 0.950 20 0 GCADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1c(F)cncc1F ZINC001571274374 945697458 /nfs/dbraw/zinc/69/74/58/945697458.db2.gz GGMKRNSUTKBWCA-UHFFFAOYSA-N -1 1 387.354 0.950 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571274808 945701077 /nfs/dbraw/zinc/70/10/77/945701077.db2.gz LNTSSONDONRFRX-MRXNPFEDSA-N -1 1 387.379 0.203 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571274808 945701084 /nfs/dbraw/zinc/70/10/84/945701084.db2.gz LNTSSONDONRFRX-MRXNPFEDSA-N -1 1 387.379 0.203 20 0 GCADMM COc1ncc(NC(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)cc1-c1nn[n-]n1 ZINC001571275646 945712481 /nfs/dbraw/zinc/71/24/81/945712481.db2.gz ZXICNVYGFZHKLZ-WDEREUQCSA-N -1 1 387.360 0.613 20 0 GCADMM CC1(C)CO[C@H](CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571275744 945713554 /nfs/dbraw/zinc/71/35/54/945713554.db2.gz BRYAXZLUXVKEDC-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CO[C@H](CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571275744 945713557 /nfs/dbraw/zinc/71/35/57/945713557.db2.gz BRYAXZLUXVKEDC-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CCOC1CC(CC(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571275701 945714121 /nfs/dbraw/zinc/71/41/21/945714121.db2.gz AXOAIMXPUROPIJ-AEBJDNRDSA-N -1 1 386.460 0.591 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571275763 945714492 /nfs/dbraw/zinc/71/44/92/945714492.db2.gz BXXWQKPSNXZLFP-YIYPIFLZSA-N -1 1 386.460 0.591 20 0 GCADMM CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571275792 945716137 /nfs/dbraw/zinc/71/61/37/945716137.db2.gz CLRRGWVPGGNHDK-YUTCNCBUSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571275792 945716144 /nfs/dbraw/zinc/71/61/44/945716144.db2.gz CLRRGWVPGGNHDK-YUTCNCBUSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@](O)(CC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001571275856 945718887 /nfs/dbraw/zinc/71/88/87/945718887.db2.gz DJDOHDAESGMTMH-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@](O)(CC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001571275856 945718894 /nfs/dbraw/zinc/71/88/94/945718894.db2.gz DJDOHDAESGMTMH-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM CCN(C(=O)[C@@H]1CCCOCC1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571276071 945722293 /nfs/dbraw/zinc/72/22/93/945722293.db2.gz GVSOADYJDDELBN-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CCN(C(=O)[C@@H]1CCCOCC1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571276071 945722300 /nfs/dbraw/zinc/72/23/00/945722300.db2.gz GVSOADYJDDELBN-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571276632 945733695 /nfs/dbraw/zinc/73/36/95/945733695.db2.gz JWYHTSJDJPPXBR-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571276632 945733699 /nfs/dbraw/zinc/73/36/99/945733699.db2.gz JWYHTSJDJPPXBR-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM CN(C(=O)c1ccc(C(N)=O)o1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571276964 945735942 /nfs/dbraw/zinc/73/59/42/945735942.db2.gz LPFYAACKNSSZEW-UHFFFAOYSA-N -1 1 387.425 0.577 20 0 GCADMM COC(=O)c1ccc(N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c(-c2nnn[n-]2)n1 ZINC001571277255 945740435 /nfs/dbraw/zinc/74/04/35/945740435.db2.gz NTSCCYRJNGOWLN-QGHHPUGFSA-N -1 1 387.400 0.763 20 0 GCADMM COC(=O)c1ccc(N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c(-c2nn[n-]n2)n1 ZINC001571277255 945740441 /nfs/dbraw/zinc/74/04/41/945740441.db2.gz NTSCCYRJNGOWLN-QGHHPUGFSA-N -1 1 387.400 0.763 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571277488 945743171 /nfs/dbraw/zinc/74/31/71/945743171.db2.gz KRMJBKYKBJRQRF-GUTXKFCHSA-N -1 1 386.460 0.804 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571277488 945743173 /nfs/dbraw/zinc/74/31/73/945743173.db2.gz KRMJBKYKBJRQRF-GUTXKFCHSA-N -1 1 386.460 0.804 20 0 GCADMM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821610844 945743850 /nfs/dbraw/zinc/74/38/50/945743850.db2.gz HJQZNUWNKYTOPP-UHFFFAOYSA-N -1 1 390.429 0.668 20 0 GCADMM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821610844 945743861 /nfs/dbraw/zinc/74/38/61/945743861.db2.gz HJQZNUWNKYTOPP-UHFFFAOYSA-N -1 1 390.429 0.668 20 0 GCADMM CC[C@@H](OC)C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571277627 945744151 /nfs/dbraw/zinc/74/41/51/945744151.db2.gz MPJTZKUHHDSMLX-ACJLOTCBSA-N -1 1 386.460 0.901 20 0 GCADMM CCO[C@@H]1CN(C(=O)C2CC(C)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571277596 945744471 /nfs/dbraw/zinc/74/44/71/945744471.db2.gz MJGQSZPNGIZUFY-UJFKTDLFSA-N -1 1 386.460 0.978 20 0 GCADMM CCO[C@@H]1CN(C(=O)C2CC(C)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571277596 945744478 /nfs/dbraw/zinc/74/44/78/945744478.db2.gz MJGQSZPNGIZUFY-UJFKTDLFSA-N -1 1 386.460 0.978 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001571277612 945745548 /nfs/dbraw/zinc/74/55/48/945745548.db2.gz MLZHNPQMCACDAN-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001571277612 945745556 /nfs/dbraw/zinc/74/55/56/945745556.db2.gz MLZHNPQMCACDAN-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM CCNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001571278142 945749106 /nfs/dbraw/zinc/74/91/06/945749106.db2.gz WSOXPOFSLIXZIQ-UHFFFAOYSA-N -1 1 387.425 0.490 20 0 GCADMM CCNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001571278142 945749109 /nfs/dbraw/zinc/74/91/09/945749109.db2.gz WSOXPOFSLIXZIQ-UHFFFAOYSA-N -1 1 387.425 0.490 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571278635 945754957 /nfs/dbraw/zinc/75/49/57/945754957.db2.gz PVAIYCYIUOVSHR-TZMCWYRMSA-N -1 1 386.460 0.402 20 0 GCADMM C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571278622 945755355 /nfs/dbraw/zinc/75/53/55/945755355.db2.gz POLIRFPCWOZUHA-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571278622 945755361 /nfs/dbraw/zinc/75/53/61/945755361.db2.gz POLIRFPCWOZUHA-CHWSQXEVSA-N -1 1 386.460 0.858 20 0 GCADMM O=C(CCSc1ccccc1)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571278709 945757341 /nfs/dbraw/zinc/75/73/41/945757341.db2.gz AHDNJGIKOBWARG-UHFFFAOYSA-N -1 1 387.425 0.428 20 0 GCADMM CCOC1CC(C(=O)N2C[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)C1 ZINC001571278686 945757368 /nfs/dbraw/zinc/75/73/68/945757368.db2.gz QSXSPYKEZLMZGF-NELGMTEASA-N -1 1 386.460 0.978 20 0 GCADMM CCOC1CC(C(=O)N2C[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)C1 ZINC001571278686 945757380 /nfs/dbraw/zinc/75/73/80/945757380.db2.gz QSXSPYKEZLMZGF-NELGMTEASA-N -1 1 386.460 0.978 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)c1ccns1 ZINC001571278869 945763621 /nfs/dbraw/zinc/76/36/21/945763621.db2.gz DWBRQFVIGMAKEK-JTQLQIEISA-N -1 1 387.429 0.139 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)c1ccns1 ZINC001571278869 945763625 /nfs/dbraw/zinc/76/36/25/945763625.db2.gz DWBRQFVIGMAKEK-JTQLQIEISA-N -1 1 387.429 0.139 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCOCC1 ZINC001571278968 945764649 /nfs/dbraw/zinc/76/46/49/945764649.db2.gz TUMVDSDDQLYWBD-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001571278968 945764656 /nfs/dbraw/zinc/76/46/56/945764656.db2.gz TUMVDSDDQLYWBD-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CCCCC1 ZINC001571278973 945764724 /nfs/dbraw/zinc/76/47/24/945764724.db2.gz TXNUFZYHDHCUJQ-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N2CCC(CN(C)c3cncc(-c4nnn[n-]4)n3)CC2)CO1 ZINC001571278998 945767412 /nfs/dbraw/zinc/76/74/12/945767412.db2.gz UKMZPYRPVWTODD-OCCSQVGLSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N2CCC(CN(C)c3cncc(-c4nn[n-]n4)n3)CC2)CO1 ZINC001571278998 945767419 /nfs/dbraw/zinc/76/74/19/945767419.db2.gz UKMZPYRPVWTODD-OCCSQVGLSA-N -1 1 386.460 0.757 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571278991 945767809 /nfs/dbraw/zinc/76/78/09/945767809.db2.gz UCDVMDVWZUUPRS-NFAWXSAZSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571278991 945767811 /nfs/dbraw/zinc/76/78/11/945767811.db2.gz UCDVMDVWZUUPRS-NFAWXSAZSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1ccc(SCC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571279114 945769756 /nfs/dbraw/zinc/76/97/56/945769756.db2.gz IYCPVNDYAUZAQE-UHFFFAOYSA-N -1 1 387.425 0.346 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)c1-c1nn[n-]n1 ZINC001571279216 945773252 /nfs/dbraw/zinc/77/32/52/945773252.db2.gz LKIXEVODKONKFO-VIFPVBQESA-N -1 1 387.429 0.526 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)c2ccns2)CCO1 ZINC001571279230 945773418 /nfs/dbraw/zinc/77/34/18/945773418.db2.gz LSWBBDPTOZDFSR-MWLCHTKSSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2ccns2)CCO1 ZINC001571279230 945773419 /nfs/dbraw/zinc/77/34/19/945773419.db2.gz LSWBBDPTOZDFSR-MWLCHTKSSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571279311 945775241 /nfs/dbraw/zinc/77/52/41/945775241.db2.gz UQLUNMMWCJLBJI-XIKOKIGWSA-N -1 1 386.460 0.280 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571279345 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CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573455549 945883103 /nfs/dbraw/zinc/88/31/03/945883103.db2.gz DVQHUPORYJGGDQ-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573455549 945883111 /nfs/dbraw/zinc/88/31/11/945883111.db2.gz DVQHUPORYJGGDQ-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573455292 945883273 /nfs/dbraw/zinc/88/32/73/945883273.db2.gz CAEFLHCZQAQQHC-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573455292 945883281 /nfs/dbraw/zinc/88/32/81/945883281.db2.gz CAEFLHCZQAQQHC-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573455568 945884745 /nfs/dbraw/zinc/88/47/45/945884745.db2.gz FFXXPRKDCUTZID-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 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ZINC001573468153 945991341 /nfs/dbraw/zinc/99/13/41/945991341.db2.gz LFBMNZBDKNGKIS-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573468153 945991348 /nfs/dbraw/zinc/99/13/48/945991348.db2.gz LFBMNZBDKNGKIS-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573468533 945996298 /nfs/dbraw/zinc/99/62/98/945996298.db2.gz ONOZIYIFEQGCRK-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573468880 946000060 /nfs/dbraw/zinc/00/00/60/946000060.db2.gz RDFZSVWUSPLOBL-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573468880 946000069 /nfs/dbraw/zinc/00/00/69/946000069.db2.gz RDFZSVWUSPLOBL-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3ncn(C)n3)CC2)c1-c1nn[n-]n1 ZINC001571289374 946003868 /nfs/dbraw/zinc/00/38/68/946003868.db2.gz AYNZMKVHJVJROQ-MGCOHNPYSA-N -1 1 388.461 0.913 20 0 GCADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3ccn(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571289370 946004342 /nfs/dbraw/zinc/00/43/42/946004342.db2.gz ASUJJVYMOIQHLK-VXGBXAGGSA-N -1 1 388.457 0.258 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573469422 946006355 /nfs/dbraw/zinc/00/63/55/946006355.db2.gz VUNMLCYXVUPWSU-HAQNSBGRSA-N -1 1 387.448 0.187 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573469422 946006367 /nfs/dbraw/zinc/00/63/67/946006367.db2.gz VUNMLCYXVUPWSU-HAQNSBGRSA-N -1 1 387.448 0.187 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573469403 946006531 /nfs/dbraw/zinc/00/65/31/946006531.db2.gz VHVNPDLLAVDZNP-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CCC(CC)C(=O)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571289418 946006532 /nfs/dbraw/zinc/00/65/32/946006532.db2.gz CMWJFQYPNGJXBY-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CCC(CC)C(=O)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571289418 946006538 /nfs/dbraw/zinc/00/65/38/946006538.db2.gz CMWJFQYPNGJXBY-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573469403 946006539 /nfs/dbraw/zinc/00/65/39/946006539.db2.gz VHVNPDLLAVDZNP-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573469250 946006946 /nfs/dbraw/zinc/00/69/46/946006946.db2.gz UKBBCBAIVOLWHW-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573469250 946006954 /nfs/dbraw/zinc/00/69/54/946006954.db2.gz UKBBCBAIVOLWHW-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM O=c1cc(CN2CCSC3(CCOCC3)C2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001571289542 946009326 /nfs/dbraw/zinc/00/93/26/946009326.db2.gz HELDCSBRUKPYDE-UHFFFAOYSA-N -1 1 388.457 0.713 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573469732 946009286 /nfs/dbraw/zinc/00/92/86/946009286.db2.gz XDLCCMOYEARNQX-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573469806 946011221 /nfs/dbraw/zinc/01/12/21/946011221.db2.gz XQOYHPWGHZAKRR-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573469806 946011231 /nfs/dbraw/zinc/01/12/31/946011231.db2.gz XQOYHPWGHZAKRR-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM Cc1nsc(NC[C@@H]2CCCN2C(=O)c2nnn(C)c2C)c1-c1nn[n-]n1 ZINC001571289795 946016799 /nfs/dbraw/zinc/01/67/99/946016799.db2.gz MRMFLZXZWFWYBF-JTQLQIEISA-N -1 1 388.461 0.785 20 0 GCADMM Cc1nsc(NCC[C@H]2CCN(C(=O)c3ncn(C)n3)C2)c1-c1nn[n-]n1 ZINC001571289844 946019364 /nfs/dbraw/zinc/01/93/64/946019364.db2.gz NVAJWKQNVIVZFA-JTQLQIEISA-N -1 1 388.461 0.724 20 0 GCADMM Cc1nsc(N[C@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)c1-c1nn[n-]n1 ZINC001571289848 946020616 /nfs/dbraw/zinc/02/06/16/946020616.db2.gz NWEAEQCUXWYWJE-QWRGUYRKSA-N -1 1 388.461 0.887 20 0 GCADMM Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC(=O)N2)C3)c1-c1nn[n-]n1 ZINC001571289883 946021197 /nfs/dbraw/zinc/02/11/97/946021197.db2.gz OWBCORXBZZXUJK-ZNSHCXBVSA-N -1 1 388.457 0.136 20 0 GCADMM Cc1nsc(N2CCCC[C@H]2CNC(=O)c2ncn(C)n2)c1-c1nn[n-]n1 ZINC001571289938 946022573 /nfs/dbraw/zinc/02/25/73/946022573.db2.gz QHSGHJYBDTUWHU-JTQLQIEISA-N -1 1 388.461 0.549 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573470406 946025113 /nfs/dbraw/zinc/02/51/13/946025113.db2.gz DSURDUCUFCIZFG-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573470456 946025210 /nfs/dbraw/zinc/02/52/10/946025210.db2.gz FJUYQSACXQSHET-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573470456 946025221 /nfs/dbraw/zinc/02/52/21/946025221.db2.gz FJUYQSACXQSHET-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C2)c1-c1nn[n-]n1 ZINC001571290061 946029742 /nfs/dbraw/zinc/02/97/42/946029742.db2.gz ULCDEVKJGCYWIV-LLVKDONJSA-N -1 1 388.461 0.406 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573470575 946030197 /nfs/dbraw/zinc/03/01/97/946030197.db2.gz HEEJENSEQJOYKA-KOLCDFICSA-N -1 1 378.462 0.417 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)c3cccn3C)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571290135 946033447 /nfs/dbraw/zinc/03/34/47/946033447.db2.gz VWYFQEXLSBPYIW-JQWIXIFHSA-N -1 1 388.457 0.340 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573470657 946034165 /nfs/dbraw/zinc/03/41/65/946034165.db2.gz IJKXYUJHZIVFGW-YPMHNXCESA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573470657 946034180 /nfs/dbraw/zinc/03/41/80/946034180.db2.gz IJKXYUJHZIVFGW-YPMHNXCESA-N -1 1 387.448 0.140 20 0 GCADMM CCC(CC)(CC)C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290271 946034206 /nfs/dbraw/zinc/03/42/06/946034206.db2.gz YYNFZDKLHIXMOF-ZDUSSCGKSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1c(Cl)cnn1C ZINC001571290448 946041161 /nfs/dbraw/zinc/04/11/61/946041161.db2.gz FGDRVKKDTIXQPQ-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1c(Cl)cnn1C ZINC001571290448 946041173 /nfs/dbraw/zinc/04/11/73/946041173.db2.gz FGDRVKKDTIXQPQ-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM Cn1ncc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)c1Cl ZINC001571290402 946042614 /nfs/dbraw/zinc/04/26/14/946042614.db2.gz CZLBSCOOROHNDP-UHFFFAOYSA-N -1 1 388.823 0.664 20 0 GCADMM Cn1ncc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)c1Cl ZINC001571290402 946042626 /nfs/dbraw/zinc/04/26/26/946042626.db2.gz CZLBSCOOROHNDP-UHFFFAOYSA-N -1 1 388.823 0.664 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571290529 946044121 /nfs/dbraw/zinc/04/41/21/946044121.db2.gz IBCAAXWHTSQBGE-NSHDSACASA-N -1 1 388.823 0.610 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571290529 946044130 /nfs/dbraw/zinc/04/41/30/946044130.db2.gz IBCAAXWHTSQBGE-NSHDSACASA-N -1 1 388.823 0.610 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1Cl ZINC001571290478 946046176 /nfs/dbraw/zinc/04/61/76/946046176.db2.gz GFVLXVFOVPXLBN-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1Cl ZINC001571290478 946046189 /nfs/dbraw/zinc/04/61/89/946046189.db2.gz GFVLXVFOVPXLBN-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1Cl ZINC001571290576 946048249 /nfs/dbraw/zinc/04/82/49/946048249.db2.gz JCZWNNIUKYNAPB-SECBINFHSA-N -1 1 388.823 0.618 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1Cl ZINC001571290576 946048262 /nfs/dbraw/zinc/04/82/62/946048262.db2.gz JCZWNNIUKYNAPB-SECBINFHSA-N -1 1 388.823 0.618 20 0 GCADMM Cc1nn(C)c(Cl)c1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290606 946049108 /nfs/dbraw/zinc/04/91/08/946049108.db2.gz JYFFRQMBFDEQPJ-VIFPVBQESA-N -1 1 388.823 0.679 20 0 GCADMM Cc1nn(C)c(Cl)c1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290606 946049121 /nfs/dbraw/zinc/04/91/21/946049121.db2.gz JYFFRQMBFDEQPJ-VIFPVBQESA-N -1 1 388.823 0.679 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290658 946051969 /nfs/dbraw/zinc/05/19/69/946051969.db2.gz KZEBDNXYVJNGFZ-LLVKDONJSA-N -1 1 388.823 0.292 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290658 946051978 /nfs/dbraw/zinc/05/19/78/946051978.db2.gz KZEBDNXYVJNGFZ-LLVKDONJSA-N -1 1 388.823 0.292 20 0 GCADMM CN(C(=O)c1nn(C)cc1Cl)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290740 946052579 /nfs/dbraw/zinc/05/25/79/946052579.db2.gz NROWOJUEMWSFQK-UHFFFAOYSA-N -1 1 388.823 0.181 20 0 GCADMM Cn1nc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1Cl ZINC001571290719 946054970 /nfs/dbraw/zinc/05/49/70/946054970.db2.gz NEGHHLJIRBIYEN-SECBINFHSA-N -1 1 388.823 0.618 20 0 GCADMM Cn1nc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1Cl ZINC001571290719 946054990 /nfs/dbraw/zinc/05/49/90/946054990.db2.gz NEGHHLJIRBIYEN-SECBINFHSA-N -1 1 388.823 0.618 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cnn(C)c3Cl)C2)n1 ZINC001571290836 946056665 /nfs/dbraw/zinc/05/66/65/946056665.db2.gz QMEBOFZVHWGNAJ-VIFPVBQESA-N -1 1 388.823 0.361 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cnn(C)c3Cl)C2)n1 ZINC001571290836 946056679 /nfs/dbraw/zinc/05/66/79/946056679.db2.gz QMEBOFZVHWGNAJ-VIFPVBQESA-N -1 1 388.823 0.361 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001571290774 946056886 /nfs/dbraw/zinc/05/68/86/946056886.db2.gz OLFWQIXIFAISKD-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001571290774 946056900 /nfs/dbraw/zinc/05/69/00/946056900.db2.gz OLFWQIXIFAISKD-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573472332 946063405 /nfs/dbraw/zinc/06/34/05/946063405.db2.gz VNHNHTNLDHUVSN-WCQYABFASA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573472332 946063421 /nfs/dbraw/zinc/06/34/21/946063421.db2.gz VNHNHTNLDHUVSN-WCQYABFASA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573472347 946064294 /nfs/dbraw/zinc/06/42/94/946064294.db2.gz VPSCAWACTZWBOG-GXFFZTMASA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573472347 946064308 /nfs/dbraw/zinc/06/43/08/946064308.db2.gz VPSCAWACTZWBOG-GXFFZTMASA-N -1 1 387.448 0.139 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001571291019 946065465 /nfs/dbraw/zinc/06/54/65/946065465.db2.gz YFDGNUZPDAGREE-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001571291019 946065474 /nfs/dbraw/zinc/06/54/74/946065474.db2.gz YFDGNUZPDAGREE-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C3CC(C)C3)CC2)o1 ZINC000822424226 946084769 /nfs/dbraw/zinc/08/47/69/946084769.db2.gz UQQLOFJAVRQVDJ-UHFFFAOYSA-N -1 1 389.416 0.401 20 0 GCADMM CC(C)Oc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c(F)c1 ZINC001571292139 946090645 /nfs/dbraw/zinc/09/06/45/946090645.db2.gz UIERTRRTWAXIIS-UHFFFAOYSA-N -1 1 389.347 0.694 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC[C@H]1CCOC1=O ZINC000822458100 946095570 /nfs/dbraw/zinc/09/55/70/946095570.db2.gz CQMOLRZLMXECOB-LBPRGKRZSA-N -1 1 399.411 0.955 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC[C@H]1CCOC1=O ZINC000822458100 946095582 /nfs/dbraw/zinc/09/55/82/946095582.db2.gz CQMOLRZLMXECOB-LBPRGKRZSA-N -1 1 399.411 0.955 20 0 GCADMM O=C([C@@H]1CCc2cccnc21)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571293136 946096703 /nfs/dbraw/zinc/09/67/03/946096703.db2.gz AHSXCYAELYHXJQ-MELADBBJSA-N -1 1 389.423 0.571 20 0 GCADMM O=C([C@@H]1CCc2cccnc21)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571293136 946096722 /nfs/dbraw/zinc/09/67/22/946096722.db2.gz AHSXCYAELYHXJQ-MELADBBJSA-N -1 1 389.423 0.571 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573475195 946097186 /nfs/dbraw/zinc/09/71/86/946097186.db2.gz QENFWZNEBDODAH-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573475195 946097198 /nfs/dbraw/zinc/09/71/98/946097198.db2.gz QENFWZNEBDODAH-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM Cc1nnc(CC(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)[C@H]2C)o1 ZINC001571293221 946097846 /nfs/dbraw/zinc/09/78/46/946097846.db2.gz BOGXZSKTBCUASS-SCZZXKLOSA-N -1 1 389.445 0.967 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2O)o1 ZINC001571293217 946097876 /nfs/dbraw/zinc/09/78/76/946097876.db2.gz BHMUBUKEGLJPLN-NEPJUHHUSA-N -1 1 389.441 0.441 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573475198 946098364 /nfs/dbraw/zinc/09/83/64/946098364.db2.gz QGPHCPQJMVPYQU-FNFWKMNBSA-N -1 1 399.459 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573475198 946098374 /nfs/dbraw/zinc/09/83/74/946098374.db2.gz QGPHCPQJMVPYQU-FNFWKMNBSA-N -1 1 399.459 0.222 20 0 GCADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001571293237 946098703 /nfs/dbraw/zinc/09/87/03/946098703.db2.gz BTYRMZSKQASRKY-NSHDSACASA-N -1 1 389.445 0.882 20 0 GCADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001571293237 946098714 /nfs/dbraw/zinc/09/87/14/946098714.db2.gz BTYRMZSKQASRKY-NSHDSACASA-N -1 1 389.445 0.882 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573475655 946101997 /nfs/dbraw/zinc/10/19/97/946101997.db2.gz WOLRCNWCJWOFGU-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573475655 946102006 /nfs/dbraw/zinc/10/20/06/946102006.db2.gz WOLRCNWCJWOFGU-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573475477 946102418 /nfs/dbraw/zinc/10/24/18/946102418.db2.gz ULGAGXXWJKWSHD-NTZNESFSSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573475477 946102426 /nfs/dbraw/zinc/10/24/26/946102426.db2.gz ULGAGXXWJKWSHD-NTZNESFSSA-N -1 1 387.448 0.078 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CCc2cccnc21 ZINC001571293389 946104058 /nfs/dbraw/zinc/10/40/58/946104058.db2.gz GWLLYWMOXFFMNV-FOCJUVANSA-N -1 1 389.423 0.333 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573476214 946116693 /nfs/dbraw/zinc/11/66/93/946116693.db2.gz DVLKIKCNMZSGQI-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573476376 946119274 /nfs/dbraw/zinc/11/92/74/946119274.db2.gz GBIQVRSWMQDBKW-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM Cc1csc(CCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)n1 ZINC001571293953 946119724 /nfs/dbraw/zinc/11/97/24/946119724.db2.gz WVBAOIPQMRGESY-UHFFFAOYSA-N -1 1 389.445 0.763 20 0 GCADMM Cc1csc(CCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)n1 ZINC001571293953 946119731 /nfs/dbraw/zinc/11/97/31/946119731.db2.gz WVBAOIPQMRGESY-UHFFFAOYSA-N -1 1 389.445 0.763 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573476574 946120881 /nfs/dbraw/zinc/12/08/81/946120881.db2.gz HZTWIGUKTGHGJW-XPUUQOCRSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573476574 946120890 /nfs/dbraw/zinc/12/08/90/946120890.db2.gz HZTWIGUKTGHGJW-XPUUQOCRSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573476748 946125206 /nfs/dbraw/zinc/12/52/06/946125206.db2.gz JFCHRGQHMSOWDJ-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573476748 946125213 /nfs/dbraw/zinc/12/52/13/946125213.db2.gz JFCHRGQHMSOWDJ-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ccn(C(F)F)n1 ZINC001571294382 946133682 /nfs/dbraw/zinc/13/36/82/946133682.db2.gz DAXUYMKMPPFEEP-BDAKNGLRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ccn(C(F)F)n1 ZINC001571294382 946133685 /nfs/dbraw/zinc/13/36/85/946133685.db2.gz DAXUYMKMPPFEEP-BDAKNGLRSA-N -1 1 390.358 0.963 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573477355 946133827 /nfs/dbraw/zinc/13/38/27/946133827.db2.gz PCTSVQVBZDHRET-MWLCHTKSSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573477385 946134653 /nfs/dbraw/zinc/13/46/53/946134653.db2.gz POMCBAFJMMBDBQ-MWLCHTKSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573477385 946134659 /nfs/dbraw/zinc/13/46/59/946134659.db2.gz POMCBAFJMMBDBQ-MWLCHTKSSA-N -1 1 375.437 0.124 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000822614791 946140083 /nfs/dbraw/zinc/14/00/83/946140083.db2.gz SIMQFLMLWFWKGB-CYBMUJFWSA-N -1 1 381.400 0.917 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000822614791 946140091 /nfs/dbraw/zinc/14/00/91/946140091.db2.gz SIMQFLMLWFWKGB-CYBMUJFWSA-N -1 1 381.400 0.917 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001573477857 946144250 /nfs/dbraw/zinc/14/42/50/946144250.db2.gz UUUSXXCTXNXYAZ-AMWJZZMOSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001573477857 946144255 /nfs/dbraw/zinc/14/42/55/946144255.db2.gz UUUSXXCTXNXYAZ-AMWJZZMOSA-N -1 1 385.432 0.021 20 0 GCADMM O=C(c1ccn(C(F)F)n1)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571294818 946145356 /nfs/dbraw/zinc/14/53/56/946145356.db2.gz MSZQNJFQCULVIP-UHFFFAOYSA-N -1 1 390.358 0.965 20 0 GCADMM O=C(c1ccn(C(F)F)n1)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571294818 946145365 /nfs/dbraw/zinc/14/53/65/946145365.db2.gz MSZQNJFQCULVIP-UHFFFAOYSA-N -1 1 390.358 0.965 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)n1 ZINC001571294781 946145626 /nfs/dbraw/zinc/14/56/26/946145626.db2.gz MDNOOLYIQAHUTI-MRVPVSSYSA-N -1 1 389.807 0.869 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)n1 ZINC001571294781 946145634 /nfs/dbraw/zinc/14/56/34/946145634.db2.gz MDNOOLYIQAHUTI-MRVPVSSYSA-N -1 1 389.807 0.869 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC001571294803 946145754 /nfs/dbraw/zinc/14/57/54/946145754.db2.gz MKFBNOYKTDPLEZ-DGCLKSJQSA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC001571294803 946145758 /nfs/dbraw/zinc/14/57/58/946145758.db2.gz MKFBNOYKTDPLEZ-DGCLKSJQSA-N -1 1 389.464 0.704 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cc(C(F)F)n[nH]1 ZINC001571294831 946146102 /nfs/dbraw/zinc/14/61/02/946146102.db2.gz NFPPRQVNGMCIOE-MRVPVSSYSA-N -1 1 390.358 0.716 20 0 GCADMM O=C(c1cc(C(F)F)n[nH]1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571294796 946146220 /nfs/dbraw/zinc/14/62/20/946146220.db2.gz MFWFJXCDRWDCEQ-MRVPVSSYSA-N -1 1 390.358 0.456 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cnn(C(F)F)c1 ZINC001571294816 946146247 /nfs/dbraw/zinc/14/62/47/946146247.db2.gz MONNSAFNSBBHMJ-WPRPVWTQSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cnn(C(F)F)c1 ZINC001571294816 946146250 /nfs/dbraw/zinc/14/62/50/946146250.db2.gz MONNSAFNSBBHMJ-WPRPVWTQSA-N -1 1 390.358 0.963 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573478509 946147113 /nfs/dbraw/zinc/14/71/13/946147113.db2.gz XAOYYYJZBZJPKK-GWCFXTLKSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573478509 946147115 /nfs/dbraw/zinc/14/71/15/946147115.db2.gz XAOYYYJZBZJPKK-GWCFXTLKSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573478769 946150320 /nfs/dbraw/zinc/15/03/20/946150320.db2.gz YJAHJUAEAHBHFV-RNFRBKRXSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573478769 946150330 /nfs/dbraw/zinc/15/03/30/946150330.db2.gz YJAHJUAEAHBHFV-RNFRBKRXSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573478599 946150493 /nfs/dbraw/zinc/15/04/93/946150493.db2.gz XPMRRLIDMYYTJG-PWSUYJOCSA-N -1 1 392.489 0.631 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573478816 946152686 /nfs/dbraw/zinc/15/26/86/946152686.db2.gz YWAWKAJKYMRNBP-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573478816 946152691 /nfs/dbraw/zinc/15/26/91/946152691.db2.gz YWAWKAJKYMRNBP-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM O=C(NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F)c1cn[nH]c1 ZINC001571295133 946153995 /nfs/dbraw/zinc/15/39/95/946153995.db2.gz UMMQWQRSJZHFNC-SNVBAGLBSA-N -1 1 390.358 0.271 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573479242 946157018 /nfs/dbraw/zinc/15/70/18/946157018.db2.gz AXMSRMQPAFUACK-PUSIOWJLSA-N -1 1 378.462 0.463 20 0 GCADMM O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1CCC(=O)NC1 ZINC001571295252 946157228 /nfs/dbraw/zinc/15/72/28/946157228.db2.gz QZJRCYMARCDKHI-VXGBXAGGSA-N -1 1 389.485 0.535 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2cnn(C(F)F)c2)C1 ZINC001571295309 946159764 /nfs/dbraw/zinc/15/97/64/946159764.db2.gz XJFQVPOFIDVCDM-JTQLQIEISA-N -1 1 390.358 0.599 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2cnn(C(F)F)c2)C1 ZINC001571295309 946159771 /nfs/dbraw/zinc/15/97/71/946159771.db2.gz XJFQVPOFIDVCDM-JTQLQIEISA-N -1 1 390.358 0.599 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573479512 946161676 /nfs/dbraw/zinc/16/16/76/946161676.db2.gz DSVNAHLJBVLZST-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573479512 946161678 /nfs/dbraw/zinc/16/16/78/946161678.db2.gz DSVNAHLJBVLZST-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573479563 946162738 /nfs/dbraw/zinc/16/27/38/946162738.db2.gz FGYOSSJMKDEBKU-ZCFIWIBFSA-N -1 1 384.853 0.562 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573479563 946162746 /nfs/dbraw/zinc/16/27/46/946162746.db2.gz FGYOSSJMKDEBKU-ZCFIWIBFSA-N -1 1 384.853 0.562 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573479577 946163276 /nfs/dbraw/zinc/16/32/76/946163276.db2.gz FMLCISNRSZHRKF-JQWIXIFHSA-N -1 1 392.489 0.489 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573479576 946164543 /nfs/dbraw/zinc/16/45/43/946164543.db2.gz FMLCISNRSZHRKF-CMPLNLGQSA-N -1 1 392.489 0.489 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573480246 946172609 /nfs/dbraw/zinc/17/26/09/946172609.db2.gz JSVFDYXNLOLGJU-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573480246 946172613 /nfs/dbraw/zinc/17/26/13/946172613.db2.gz JSVFDYXNLOLGJU-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CCC[C@@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCC1 ZINC001571295656 946172601 /nfs/dbraw/zinc/17/26/01/946172601.db2.gz BHKQWNRYSMPMRH-CYBMUJFWSA-N -1 1 390.448 0.787 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)C2(CF)CCC2)CCO1 ZINC001571295777 946174091 /nfs/dbraw/zinc/17/40/91/946174091.db2.gz FWCXEAMBPWNLJR-WCQYABFASA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C2(CF)CCC2)CCO1 ZINC001571295777 946174098 /nfs/dbraw/zinc/17/40/98/946174098.db2.gz FWCXEAMBPWNLJR-WCQYABFASA-N -1 1 390.423 0.824 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573480590 946174870 /nfs/dbraw/zinc/17/48/70/946174870.db2.gz LCXJMFSUQFKOCK-NKWVEPMBSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573480590 946174879 /nfs/dbraw/zinc/17/48/79/946174879.db2.gz LCXJMFSUQFKOCK-NKWVEPMBSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573480591 946175581 /nfs/dbraw/zinc/17/55/81/946175581.db2.gz LCXJMFSUQFKOCK-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573480591 946175584 /nfs/dbraw/zinc/17/55/84/946175584.db2.gz LCXJMFSUQFKOCK-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](O)[C@H](NC(=O)C3CCC(F)CC3)C2)n1 ZINC001571295911 946180015 /nfs/dbraw/zinc/18/00/15/946180015.db2.gz JCOQHGDZWSWRJP-GVOSGWPFSA-N -1 1 390.423 0.159 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](O)[C@H](NC(=O)C3CCC(F)CC3)C2)n1 ZINC001571295911 946180023 /nfs/dbraw/zinc/18/00/23/946180023.db2.gz JCOQHGDZWSWRJP-GVOSGWPFSA-N -1 1 390.423 0.159 20 0 GCADMM CC[C@@H]1C[C@@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 ZINC001571295992 946181574 /nfs/dbraw/zinc/18/15/74/946181574.db2.gz LTKKSRIKNGMWRH-NWDGAFQWSA-N -1 1 390.448 0.960 20 0 GCADMM CC[C@@H]1C[C@@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCO1 ZINC001571295992 946181581 /nfs/dbraw/zinc/18/15/81/946181581.db2.gz LTKKSRIKNGMWRH-NWDGAFQWSA-N -1 1 390.448 0.960 20 0 GCADMM O=C(N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@]1(F)CCOC1 ZINC001571296156 946187878 /nfs/dbraw/zinc/18/78/78/946187878.db2.gz PFMDRSACNDKVDB-SJKOYZFVSA-N -1 1 390.423 0.826 20 0 GCADMM O=C(N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)[C@@]1(F)CCOC1 ZINC001571296156 946187885 /nfs/dbraw/zinc/18/78/85/946187885.db2.gz PFMDRSACNDKVDB-SJKOYZFVSA-N -1 1 390.423 0.826 20 0 GCADMM O=C(NCC1(O)CCS(=O)(=O)CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001571296291 946190211 /nfs/dbraw/zinc/19/02/11/946190211.db2.gz TUMFBOPKMQCUSG-UHFFFAOYSA-N -1 1 390.425 0.018 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571296217 946190297 /nfs/dbraw/zinc/19/02/97/946190297.db2.gz QZJHPERHDNIHJI-NEPJUHHUSA-N -1 1 390.423 0.246 20 0 GCADMM Cc1cnoc1C(=O)NC[C@H]1COCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571296344 946191200 /nfs/dbraw/zinc/19/12/00/946191200.db2.gz VICZOIJPEKICJH-JTQLQIEISA-N -1 1 390.429 0.563 20 0 GCADMM O=C(N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@]1(F)CCOC1 ZINC001571296405 946193588 /nfs/dbraw/zinc/19/35/88/946193588.db2.gz XAZFQCOFHWGSSM-SJKOYZFVSA-N -1 1 390.423 0.390 20 0 GCADMM O=C(N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1)[C@]1(F)CCOC1 ZINC001571296393 946194035 /nfs/dbraw/zinc/19/40/35/946194035.db2.gz WXVHDSAMJLSHFQ-PXAZEXFGSA-N -1 1 390.423 0.968 20 0 GCADMM O=C(N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1)[C@]1(F)CCOC1 ZINC001571296393 946194044 /nfs/dbraw/zinc/19/40/44/946194044.db2.gz WXVHDSAMJLSHFQ-PXAZEXFGSA-N -1 1 390.423 0.968 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1NC(=O)[C@]1(F)CCOC1 ZINC001571296445 946195162 /nfs/dbraw/zinc/19/51/62/946195162.db2.gz YGEBPYCIXNLANT-GTNSWQLSSA-N -1 1 390.423 0.506 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1NC(=O)[C@]1(F)CCOC1 ZINC001571296445 946195167 /nfs/dbraw/zinc/19/51/67/946195167.db2.gz YGEBPYCIXNLANT-GTNSWQLSSA-N -1 1 390.423 0.506 20 0 GCADMM O=C(C1CCC(F)CC1)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571296480 946196419 /nfs/dbraw/zinc/19/64/19/946196419.db2.gz ZAFUPHVVSYISLH-BPCQOVAHSA-N -1 1 390.423 0.824 20 0 GCADMM O=C(C1CCC(F)CC1)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571296480 946196426 /nfs/dbraw/zinc/19/64/26/946196426.db2.gz ZAFUPHVVSYISLH-BPCQOVAHSA-N -1 1 390.423 0.824 20 0 GCADMM O=C(C1CCC(F)CC1)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571296481 946196466 /nfs/dbraw/zinc/19/64/66/946196466.db2.gz ZAFUPHVVSYISLH-WXRRBKDZSA-N -1 1 390.423 0.824 20 0 GCADMM O=C(C1CCC(F)CC1)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571296481 946196473 /nfs/dbraw/zinc/19/64/73/946196473.db2.gz ZAFUPHVVSYISLH-WXRRBKDZSA-N -1 1 390.423 0.824 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)C3(F)CCOCC3)CC2)n1 ZINC001571296498 946197543 /nfs/dbraw/zinc/19/75/43/946197543.db2.gz ZLXDMAVYHWIHIG-UHFFFAOYSA-N -1 1 390.423 0.386 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)C3(F)CCOCC3)CC2)n1 ZINC001571296498 946197550 /nfs/dbraw/zinc/19/75/50/946197550.db2.gz ZLXDMAVYHWIHIG-UHFFFAOYSA-N -1 1 390.423 0.386 20 0 GCADMM Cc1nsc(N2CCC(NC(=O)[C@]3(C)CCC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571297947 946202259 /nfs/dbraw/zinc/20/22/59/946202259.db2.gz FHBSXDXIMHDGGS-INIZCTEOSA-N -1 1 390.473 0.385 20 0 GCADMM Cc1nsc(N2CC[C@](C)(NC(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571298021 946203032 /nfs/dbraw/zinc/20/30/32/946203032.db2.gz HKKABUWSQFKTKA-HWPZZCPQSA-N -1 1 390.473 0.243 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)CN3CCCC3=O)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571298109 946206679 /nfs/dbraw/zinc/20/66/79/946206679.db2.gz JTAWOEMJYBQLPW-GHMZBOCLSA-N -1 1 390.473 0.655 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573483616 946208613 /nfs/dbraw/zinc/20/86/13/946208613.db2.gz GDJYDKYDUSDMIR-HLUHBDAQSA-N -1 1 392.489 0.345 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573485396 946223463 /nfs/dbraw/zinc/22/34/63/946223463.db2.gz SAHUHLJMNTXFCP-CYZMBNFOSA-N -1 1 387.448 0.329 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573485396 946223478 /nfs/dbraw/zinc/22/34/78/946223478.db2.gz SAHUHLJMNTXFCP-CYZMBNFOSA-N -1 1 387.448 0.329 20 0 GCADMM Cc1nsc(N2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571298915 946231925 /nfs/dbraw/zinc/23/19/25/946231925.db2.gz RTINOVWZDKABSL-NXEZZACHSA-N -1 1 390.473 0.241 20 0 GCADMM Cc1nsc(N2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571298922 946233374 /nfs/dbraw/zinc/23/33/74/946233374.db2.gz RTINOVWZDKABSL-UWVGGRQHSA-N -1 1 390.473 0.241 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573486253 946237382 /nfs/dbraw/zinc/23/73/82/946237382.db2.gz CMBOHJGIZMXUHM-CYBMUJFWSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573486253 946237391 /nfs/dbraw/zinc/23/73/91/946237391.db2.gz CMBOHJGIZMXUHM-CYBMUJFWSA-N -1 1 389.464 0.150 20 0 GCADMM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1=COCCC1 ZINC001571299257 946244170 /nfs/dbraw/zinc/24/41/70/946244170.db2.gz VHUWMQKKSJMIMT-CYBMUJFWSA-N -1 1 390.469 0.940 20 0 GCADMM Cc1nsc(N2CC[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571299284 946245444 /nfs/dbraw/zinc/24/54/44/946245444.db2.gz VKPGLIZHFOIJLE-QWRGUYRKSA-N -1 1 390.473 0.100 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573487445 946252453 /nfs/dbraw/zinc/25/24/53/946252453.db2.gz OEPDEJSRWDFLNJ-ZDUSSCGKSA-N -1 1 389.464 0.468 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573487445 946252465 /nfs/dbraw/zinc/25/24/65/946252465.db2.gz OEPDEJSRWDFLNJ-ZDUSSCGKSA-N -1 1 389.464 0.468 20 0 GCADMM Cc1nsc(N2CC[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)C2)c1-c1nn[n-]n1 ZINC001571299542 946253015 /nfs/dbraw/zinc/25/30/15/946253015.db2.gz WSLJOIPATNXCSN-QWRGUYRKSA-N -1 1 390.473 0.052 20 0 GCADMM Cc1nsc(NC2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571299569 946254303 /nfs/dbraw/zinc/25/43/03/946254303.db2.gz XIXNKWGLXVOICU-VQXHTEKXSA-N -1 1 390.473 0.750 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573487661 946255974 /nfs/dbraw/zinc/25/59/74/946255974.db2.gz QXLSWSMBRANTIB-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573487661 946255986 /nfs/dbraw/zinc/25/59/86/946255986.db2.gz QXLSWSMBRANTIB-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573487933 946260951 /nfs/dbraw/zinc/26/09/51/946260951.db2.gz VKMKTTGOZYMUJE-KKZNHRDASA-N -1 1 378.462 0.240 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573488042 946261473 /nfs/dbraw/zinc/26/14/73/946261473.db2.gz XABDIXOAURUOPQ-FBIMIBRVSA-N -1 1 378.462 0.463 20 0 GCADMM CO[C@@H](C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001571299963 946267054 /nfs/dbraw/zinc/26/70/54/946267054.db2.gz WVDNJBPCFNBBHB-GXTWGEPZSA-N -1 1 390.448 0.275 20 0 GCADMM CO[C@@H](C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001571299963 946267062 /nfs/dbraw/zinc/26/70/62/946267062.db2.gz WVDNJBPCFNBBHB-GXTWGEPZSA-N -1 1 390.448 0.275 20 0 GCADMM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001573488599 946269236 /nfs/dbraw/zinc/26/92/36/946269236.db2.gz FGWXDDQVXZNMDD-AWEZNQCLSA-N -1 1 379.384 0.514 20 0 GCADMM CC(=O)NC1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCCC1 ZINC001573488545 946269367 /nfs/dbraw/zinc/26/93/67/946269367.db2.gz CBODWIOZNGXRDB-UHFFFAOYSA-N -1 1 385.432 0.166 20 0 GCADMM CC(=O)NC1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCCC1 ZINC001573488545 946269378 /nfs/dbraw/zinc/26/93/78/946269378.db2.gz CBODWIOZNGXRDB-UHFFFAOYSA-N -1 1 385.432 0.166 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488586 946269621 /nfs/dbraw/zinc/26/96/21/946269621.db2.gz DZKQPURJMMJHFD-GHMZBOCLSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488586 946269630 /nfs/dbraw/zinc/26/96/30/946269630.db2.gz DZKQPURJMMJHFD-GHMZBOCLSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488588 946270620 /nfs/dbraw/zinc/27/06/20/946270620.db2.gz DZKQPURJMMJHFD-QWRGUYRKSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488588 946270630 /nfs/dbraw/zinc/27/06/30/946270630.db2.gz DZKQPURJMMJHFD-QWRGUYRKSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)NCCN(C)c2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573488917 946279377 /nfs/dbraw/zinc/27/93/77/946279377.db2.gz PWHBUUPZNUZCCZ-UHFFFAOYSA-N -1 1 387.448 0.048 20 0 GCADMM CC(=O)NC1(C(=O)NCCN(C)c2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573488917 946279387 /nfs/dbraw/zinc/27/93/87/946279387.db2.gz PWHBUUPZNUZCCZ-UHFFFAOYSA-N -1 1 387.448 0.048 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F)c1cnco1 ZINC001571301697 946280527 /nfs/dbraw/zinc/28/05/27/946280527.db2.gz AEMQLEIPASLTKO-SECBINFHSA-N -1 1 391.342 0.536 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F)c1cnco1 ZINC001571301697 946280536 /nfs/dbraw/zinc/28/05/36/946280536.db2.gz AEMQLEIPASLTKO-SECBINFHSA-N -1 1 391.342 0.536 20 0 GCADMM COC(=O)c1ccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001571302020 946290622 /nfs/dbraw/zinc/29/06/22/946290622.db2.gz LWDVVCCKCOHDGC-UHFFFAOYSA-N -1 1 391.369 0.006 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571302558 946308385 /nfs/dbraw/zinc/30/83/85/946308385.db2.gz BEZDGGNZYGFWKK-KBPBESRZSA-N -1 1 391.439 0.870 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571302558 946308402 /nfs/dbraw/zinc/30/84/02/946308402.db2.gz BEZDGGNZYGFWKK-KBPBESRZSA-N -1 1 391.439 0.870 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571302656 946309662 /nfs/dbraw/zinc/30/96/62/946309662.db2.gz DPUFYIFEOXEZGJ-AEGPPILISA-N -1 1 391.439 0.798 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571302656 946309671 /nfs/dbraw/zinc/30/96/71/946309671.db2.gz DPUFYIFEOXEZGJ-AEGPPILISA-N -1 1 391.439 0.798 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571302637 946311611 /nfs/dbraw/zinc/31/16/11/946311611.db2.gz DDJUDNDLYYONIP-HOTGVXAUSA-N -1 1 391.439 0.864 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571302637 946311627 /nfs/dbraw/zinc/31/16/27/946311627.db2.gz DDJUDNDLYYONIP-HOTGVXAUSA-N -1 1 391.439 0.864 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)n1 ZINC001571302833 946315273 /nfs/dbraw/zinc/31/52/73/946315273.db2.gz HBNDKDRLYKEPAO-ZIAGYGMSSA-N -1 1 391.439 0.788 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)n1 ZINC001571302833 946315288 /nfs/dbraw/zinc/31/52/88/946315288.db2.gz HBNDKDRLYKEPAO-ZIAGYGMSSA-N -1 1 391.439 0.788 20 0 GCADMM CC(=O)NC1CCC(C(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573496041 946317021 /nfs/dbraw/zinc/31/70/21/946317021.db2.gz WEWSKUZVIXKOOJ-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC1CCC(C(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573496041 946317029 /nfs/dbraw/zinc/31/70/29/946317029.db2.gz WEWSKUZVIXKOOJ-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM O=C(c1cccnc1C1CC1)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303005 946321558 /nfs/dbraw/zinc/32/15/58/946321558.db2.gz JDVBPGHGUOUEEK-GFCCVEGCSA-N -1 1 391.439 0.925 20 0 GCADMM Cc1ccncc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571303428 946336559 /nfs/dbraw/zinc/33/65/59/946336559.db2.gz QUCOFAAWBDUTAZ-YJYMSZOUSA-N -1 1 391.439 0.959 20 0 GCADMM O=C(Cc1cccnc1)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571303457 946336725 /nfs/dbraw/zinc/33/67/25/946336725.db2.gz RCIQTUHWRTVIPV-IFXJQAMLSA-N -1 1 391.439 0.912 20 0 GCADMM Cc1cc(C)nc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)c1 ZINC001571303472 946337616 /nfs/dbraw/zinc/33/76/16/946337616.db2.gz RLXXOHUCTXRXCB-OKILXGFUSA-N -1 1 391.439 0.877 20 0 GCADMM Cc1cc(C)nc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)c1 ZINC001571303472 946337627 /nfs/dbraw/zinc/33/76/27/946337627.db2.gz 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946356257 /nfs/dbraw/zinc/35/62/57/946356257.db2.gz XRMJWBXNVHDNPN-CQSZACIVSA-N -1 1 391.439 0.658 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1C ZINC001573498949 946364153 /nfs/dbraw/zinc/36/41/53/946364153.db2.gz BKACUFBKSSPZNI-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001573498949 946364164 /nfs/dbraw/zinc/36/41/64/946364164.db2.gz BKACUFBKSSPZNI-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305798 946375379 /nfs/dbraw/zinc/37/53/79/946375379.db2.gz CYVGHNFSHFESTF-LMLFDSFASA-N -1 1 391.457 0.747 20 0 GCADMM CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573500938 946377276 /nfs/dbraw/zinc/37/72/76/946377276.db2.gz LTSMABHFHQPYLE-CYBMUJFWSA-N -1 1 375.408 0.175 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC001573501450 946380727 /nfs/dbraw/zinc/38/07/27/946380727.db2.gz OVTQDVIIAUNRNO-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC001573501450 946380733 /nfs/dbraw/zinc/38/07/33/946380733.db2.gz OVTQDVIIAUNRNO-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM Cn1cncc1C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001571306062 946386517 /nfs/dbraw/zinc/38/65/17/946386517.db2.gz OUPDIHRQVAWCPX-QMSLJYSESA-N -1 1 391.848 0.575 20 0 GCADMM O=C(c1ccc(F)c(Cl)c1)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571306538 946402937 /nfs/dbraw/zinc/40/29/37/946402937.db2.gz WYKAMLFTXPQHST-UHFFFAOYSA-N -1 1 391.750 0.619 20 0 GCADMM Cc1nsc(NCC2CC(NC(=O)C[C@@H]3COC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571306705 946407599 /nfs/dbraw/zinc/40/75/99/946407599.db2.gz NHCLZWGCDHGASB-YVNMAJEFSA-N -1 1 391.457 0.892 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NC2(CC(N)=O)CCCCC2)cc1-c1nn[n-]n1 ZINC001571306978 946414442 /nfs/dbraw/zinc/41/44/42/946414442.db2.gz SKSWHMNYCATZFH-UHFFFAOYSA-N -1 1 391.457 0.997 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001573505180 946419120 /nfs/dbraw/zinc/41/91/20/946419120.db2.gz KIIFRNDZOYEEHD-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001573505180 946419127 /nfs/dbraw/zinc/41/91/27/946419127.db2.gz KIIFRNDZOYEEHD-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](N(C)c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573505268 946419866 /nfs/dbraw/zinc/41/98/66/946419866.db2.gz LSGHQEZKMGECJW-QMMMGPOBSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](N(C)c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573505268 946419870 /nfs/dbraw/zinc/41/98/70/946419870.db2.gz LSGHQEZKMGECJW-QMMMGPOBSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573506780 946438761 /nfs/dbraw/zinc/43/87/61/946438761.db2.gz UAMNHRZZVZEKLO-MRXNPFEDSA-N -1 1 390.473 0.197 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H]1C ZINC001573507025 946441812 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FPFAUBRHILYYCB-ZDUSSCGKSA-N -1 1 392.423 0.943 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2cccc3c2OCC3)C1 ZINC001571309605 946448683 /nfs/dbraw/zinc/44/86/83/946448683.db2.gz FPFAUBRHILYYCB-ZDUSSCGKSA-N -1 1 392.423 0.943 20 0 GCADMM O=C([C@H]1COc2ccccc2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309570 946448986 /nfs/dbraw/zinc/44/89/86/946448986.db2.gz DKSYUNRYCZWEKF-ZIAGYGMSSA-N -1 1 392.423 0.921 20 0 GCADMM O=C([C@H]1COc2ccccc2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309570 946448992 /nfs/dbraw/zinc/44/89/92/946448992.db2.gz DKSYUNRYCZWEKF-ZIAGYGMSSA-N -1 1 392.423 0.921 20 0 GCADMM O=S(=O)([N-][C@H]1CS(=O)(=O)c2ccccc21)c1ccc(-c2nn[nH]n2)cn1 ZINC001571309639 946449052 /nfs/dbraw/zinc/44/90/52/946449052.db2.gz GHTBRDRMYRONST-NSHDSACASA-N -1 1 392.422 0.069 20 0 GCADMM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)c2ccccc2O1 ZINC001571309679 946450655 /nfs/dbraw/zinc/45/06/55/946450655.db2.gz HOMWYVHWDGRFNB-JTQLQIEISA-N -1 1 392.422 0.370 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573507686 946451205 /nfs/dbraw/zinc/45/12/05/946451205.db2.gz WROVEEYNJHGXBN-BXUZGUMPSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573507686 946451213 /nfs/dbraw/zinc/45/12/13/946451213.db2.gz WROVEEYNJHGXBN-BXUZGUMPSA-N -1 1 387.448 0.222 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2ccccc2O1 ZINC001571309755 946453875 /nfs/dbraw/zinc/45/38/75/946453875.db2.gz JOQYZWXBZWSGRZ-LNSITVRQSA-N -1 1 392.423 0.389 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@H]1C ZINC001573508310 946454350 /nfs/dbraw/zinc/45/43/50/946454350.db2.gz ZFDPJFOYPVWGSX-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@H]1C ZINC001573508310 946454354 /nfs/dbraw/zinc/45/43/54/946454354.db2.gz ZFDPJFOYPVWGSX-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573508359 946454485 /nfs/dbraw/zinc/45/44/85/946454485.db2.gz ZSBNURDLXPXRNC-ZDUSSCGKSA-N -1 1 387.448 0.142 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573508359 946454486 /nfs/dbraw/zinc/45/44/86/946454486.db2.gz ZSBNURDLXPXRNC-ZDUSSCGKSA-N -1 1 387.448 0.142 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@H]1Cc2ccccc2O1 ZINC001571309875 946454833 /nfs/dbraw/zinc/45/48/33/946454833.db2.gz NUQINITZUCZENI-DZGCQCFKSA-N -1 1 392.423 0.745 20 0 GCADMM CN(C(=O)c1cccc2c1OCC2)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309856 946455994 /nfs/dbraw/zinc/45/59/94/946455994.db2.gz MYJATIWHVIWVLX-CYBMUJFWSA-N -1 1 392.423 0.943 20 0 GCADMM CN(C(=O)c1cccc2c1OCC2)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309856 946456001 /nfs/dbraw/zinc/45/60/01/946456001.db2.gz MYJATIWHVIWVLX-CYBMUJFWSA-N -1 1 392.423 0.943 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCOc2ccccc21 ZINC001571310018 946459897 /nfs/dbraw/zinc/45/98/97/946459897.db2.gz SAXSBEWDOGWTRI-JSGCOSHPSA-N -1 1 392.423 0.918 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCOc2ccccc21 ZINC001571310018 946459901 /nfs/dbraw/zinc/45/99/01/946459901.db2.gz SAXSBEWDOGWTRI-JSGCOSHPSA-N -1 1 392.423 0.918 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc2c(c1)CCOC2 ZINC001571310100 946461594 /nfs/dbraw/zinc/46/15/94/946461594.db2.gz VBHOMUXDADHSGI-OAHLLOKOSA-N -1 1 392.423 0.738 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCOC2 ZINC001571310100 946461603 /nfs/dbraw/zinc/46/16/03/946461603.db2.gz VBHOMUXDADHSGI-OAHLLOKOSA-N -1 1 392.423 0.738 20 0 GCADMM C[C@]1(NC(=O)[C@H]2Cc3ccccc3O2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571310180 946464397 /nfs/dbraw/zinc/46/43/97/946464397.db2.gz XRRLMWDFFSPHQG-KUHUBIRLSA-N -1 1 392.423 0.745 20 0 GCADMM C[C@]1(NC(=O)[C@H]2Cc3ccccc3O2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571310180 946464399 /nfs/dbraw/zinc/46/43/99/946464399.db2.gz XRRLMWDFFSPHQG-KUHUBIRLSA-N -1 1 392.423 0.745 20 0 GCADMM COc1cccc(CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001571310239 946465538 /nfs/dbraw/zinc/46/55/38/946465538.db2.gz ZHERLLULABPCLB-FOLVSLTJSA-N -1 1 392.423 0.459 20 0 GCADMM COc1cccc(CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001571310239 946465544 /nfs/dbraw/zinc/46/55/44/946465544.db2.gz ZHERLLULABPCLB-FOLVSLTJSA-N -1 1 392.423 0.459 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1snc(C)c1-c1nn[n-]n1)CC(C)C ZINC001573510301 946476782 /nfs/dbraw/zinc/47/67/82/946476782.db2.gz DSTPWJCRIDTDHZ-LLVKDONJSA-N -1 1 380.478 0.711 20 0 GCADMM Cc1nsc(N2CCC(C)(NC(=O)[C@@H]3COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571310791 946479406 /nfs/dbraw/zinc/47/94/06/946479406.db2.gz NCPLRRLEZSMLBM-VIFPVBQESA-N -1 1 392.445 0.215 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@@H](F)CC)C[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571311036 946480890 /nfs/dbraw/zinc/48/08/90/946480890.db2.gz QIBASDZVSPEDHJ-MBNYWOFBSA-N -1 1 392.439 0.989 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@@H](F)CC)C[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571311036 946480893 /nfs/dbraw/zinc/48/08/93/946480893.db2.gz QIBASDZVSPEDHJ-MBNYWOFBSA-N -1 1 392.439 0.989 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571310864 946481792 /nfs/dbraw/zinc/48/17/92/946481792.db2.gz OMJKTYDSEVLMQH-OCCSQVGLSA-N -1 1 392.439 0.441 20 0 GCADMM Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571311043 946482645 /nfs/dbraw/zinc/48/26/45/946482645.db2.gz QPFLPBXHYNOBBW-DTWKUNHWSA-N -1 1 392.445 0.389 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573511320 946483395 /nfs/dbraw/zinc/48/33/95/946483395.db2.gz ODNCVLWJSDCZNZ-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC[C@@H]1C ZINC001573511562 946486558 /nfs/dbraw/zinc/48/65/58/946486558.db2.gz BOJQUTIQQOGWGE-APPDUMDISA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC[C@@H]1C ZINC001573511562 946486566 /nfs/dbraw/zinc/48/65/66/946486566.db2.gz BOJQUTIQQOGWGE-APPDUMDISA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573511578 946486699 /nfs/dbraw/zinc/48/66/99/946486699.db2.gz BRIGMSLIENLPHM-QWHCGFSZSA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573511578 946486705 /nfs/dbraw/zinc/48/67/05/946486705.db2.gz BRIGMSLIENLPHM-QWHCGFSZSA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573511533 946487248 /nfs/dbraw/zinc/48/72/48/946487248.db2.gz BJVRNKJHIBEESO-ZDUSSCGKSA-N -1 1 384.853 0.198 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571312457 946491967 /nfs/dbraw/zinc/49/19/67/946491967.db2.gz DNANPPJGDNVIOE-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571312457 946491970 /nfs/dbraw/zinc/49/19/70/946491970.db2.gz DNANPPJGDNVIOE-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccncn1)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C1 ZINC001571312536 946493481 /nfs/dbraw/zinc/49/34/81/946493481.db2.gz HBEFUKANGIEKJW-XQQFMLRXSA-N -1 1 392.427 0.800 20 0 GCADMM O=C(c1ccncn1)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C1 ZINC001571312536 946493494 /nfs/dbraw/zinc/49/34/94/946493494.db2.gz HBEFUKANGIEKJW-XQQFMLRXSA-N -1 1 392.427 0.800 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571312489 946494650 /nfs/dbraw/zinc/49/46/50/946494650.db2.gz FUGPIINPZZCOGX-LLVKDONJSA-N -1 1 392.427 0.580 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571312489 946494654 /nfs/dbraw/zinc/49/46/54/946494654.db2.gz FUGPIINPZZCOGX-LLVKDONJSA-N -1 1 392.427 0.580 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571312549 946496206 /nfs/dbraw/zinc/49/62/06/946496206.db2.gz HGCFPYKSCAKQLO-ZIAGYGMSSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571312549 946496218 /nfs/dbraw/zinc/49/62/18/946496218.db2.gz HGCFPYKSCAKQLO-ZIAGYGMSSA-N -1 1 392.427 0.908 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573512172 946496437 /nfs/dbraw/zinc/49/64/37/946496437.db2.gz VGOCTWWLFAUSQP-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573512172 946496447 /nfs/dbraw/zinc/49/64/47/946496447.db2.gz VGOCTWWLFAUSQP-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@H]21 ZINC001571312545 946496858 /nfs/dbraw/zinc/49/68/58/946496858.db2.gz HCXNEKBLIAHPNS-TZMCWYRMSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@H]21 ZINC001571312545 946496862 /nfs/dbraw/zinc/49/68/62/946496862.db2.gz HCXNEKBLIAHPNS-TZMCWYRMSA-N -1 1 392.427 0.578 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571312625 946498345 /nfs/dbraw/zinc/49/83/45/946498345.db2.gz JESJIRMNDSGREQ-CHWSQXEVSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571312625 946498352 /nfs/dbraw/zinc/49/83/52/946498352.db2.gz JESJIRMNDSGREQ-CHWSQXEVSA-N -1 1 392.427 0.908 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](CNc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573512502 946499990 /nfs/dbraw/zinc/49/99/90/946499990.db2.gz XNYMCLSTWQDZMY-LDYMZIIASA-N -1 1 378.462 0.274 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C2CC2)n1 ZINC001571312779 946501433 /nfs/dbraw/zinc/50/14/33/946501433.db2.gz KEAZJRXNLZLQHW-LBPRGKRZSA-N -1 1 392.427 0.959 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C2CC2)n1 ZINC001571312779 946501446 /nfs/dbraw/zinc/50/14/46/946501446.db2.gz KEAZJRXNLZLQHW-LBPRGKRZSA-N -1 1 392.427 0.959 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(NC(=O)c4ccnnc4)CCC[C@H]23)n1 ZINC001571313093 946509468 /nfs/dbraw/zinc/50/94/68/946509468.db2.gz NLPXNILKWXVGCK-KSSFIOAISA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(NC(=O)c4ccnnc4)CCC[C@H]23)n1 ZINC001571313093 946509476 /nfs/dbraw/zinc/50/94/76/946509476.db2.gz NLPXNILKWXVGCK-KSSFIOAISA-N -1 1 392.427 0.687 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573513360 946509765 /nfs/dbraw/zinc/50/97/65/946509765.db2.gz MVCJLGSHUXHCNK-QWRGUYRKSA-N -1 1 378.462 0.465 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001571313078 946510378 /nfs/dbraw/zinc/51/03/78/946510378.db2.gz NBGLZXKJIMHVHF-GWCFXTLKSA-N -1 1 392.427 0.461 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001571313080 946510820 /nfs/dbraw/zinc/51/08/20/946510820.db2.gz NBGLZXKJIMHVHF-MFKMUULPSA-N -1 1 392.427 0.461 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCCC[C@H]1C ZINC001573513224 946510963 /nfs/dbraw/zinc/51/09/63/946510963.db2.gz LSHYYCCEHVAWHW-PIGZYNQJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCCC[C@H]1C ZINC001573513224 946510970 /nfs/dbraw/zinc/51/09/70/946510970.db2.gz LSHYYCCEHVAWHW-PIGZYNQJSA-N -1 1 387.448 0.270 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)c4ccnnc4)CCC[C@H]23)n1 ZINC001571313091 946511103 /nfs/dbraw/zinc/51/11/03/946511103.db2.gz NLPXNILKWXVGCK-KBXCAEBGSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)c4ccnnc4)CCC[C@H]23)n1 ZINC001571313091 946511112 /nfs/dbraw/zinc/51/11/12/946511112.db2.gz NLPXNILKWXVGCK-KBXCAEBGSA-N -1 1 392.427 0.687 20 0 GCADMM CC(=O)NCC(=O)NC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573513598 946512335 /nfs/dbraw/zinc/51/23/35/946512335.db2.gz OGJBMXTUHZNEEB-UHFFFAOYSA-N -1 1 387.448 0.332 20 0 GCADMM CC(=O)NCC(=O)NC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573513598 946512337 /nfs/dbraw/zinc/51/23/37/946512337.db2.gz OGJBMXTUHZNEEB-UHFFFAOYSA-N -1 1 387.448 0.332 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571313151 946512781 /nfs/dbraw/zinc/51/27/81/946512781.db2.gz OXRITHOKJYGKRZ-KGLIPLIRSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571313151 946512795 /nfs/dbraw/zinc/51/27/95/946512795.db2.gz OXRITHOKJYGKRZ-KGLIPLIRSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571313137 946513063 /nfs/dbraw/zinc/51/30/63/946513063.db2.gz OQXBPDFMOSJASA-HUUCEWRRSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571313137 946513073 /nfs/dbraw/zinc/51/30/73/946513073.db2.gz OQXBPDFMOSJASA-HUUCEWRRSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)cnn1 ZINC001571313333 946517613 /nfs/dbraw/zinc/51/76/13/946517613.db2.gz PYPDEEOUWXDYHP-AWEZNQCLSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)cnn1 ZINC001571313333 946517626 /nfs/dbraw/zinc/51/76/26/946517626.db2.gz PYPDEEOUWXDYHP-AWEZNQCLSA-N -1 1 392.427 0.544 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCCC[C@@H]1C ZINC001573514146 946521742 /nfs/dbraw/zinc/52/17/42/946521742.db2.gz SVJZMLVDWBXVML-APPDUMDISA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCCC[C@@H]1C ZINC001573514146 946521750 /nfs/dbraw/zinc/52/17/50/946521750.db2.gz SVJZMLVDWBXVML-APPDUMDISA-N -1 1 387.448 0.270 20 0 GCADMM CCc1ncncc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571313449 946523412 /nfs/dbraw/zinc/52/34/12/946523412.db2.gz RIIDWXYOEHHLGF-TXEJJXNPSA-N -1 1 392.427 0.503 20 0 GCADMM CCc1ncncc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571313449 946523420 /nfs/dbraw/zinc/52/34/20/946523420.db2.gz RIIDWXYOEHHLGF-TXEJJXNPSA-N -1 1 392.427 0.503 20 0 GCADMM O=C(c1cccc2c1COCC2)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313562 946525802 /nfs/dbraw/zinc/52/58/02/946525802.db2.gz RRLSBIRRQMUTKZ-ZDUSSCGKSA-N -1 1 392.423 0.478 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573514406 946527813 /nfs/dbraw/zinc/52/78/13/946527813.db2.gz YNIILVOTVKLSGJ-WDEREUQCSA-N -1 1 378.462 0.607 20 0 GCADMM Cn1nc(C2CC2)cc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571313619 946527987 /nfs/dbraw/zinc/52/79/87/946527987.db2.gz USRWYNVCQITDAA-HBYGRHMLSA-N -1 1 392.427 0.132 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573514404 946528180 /nfs/dbraw/zinc/52/81/80/946528180.db2.gz YNIILVOTVKLSGJ-QWRGUYRKSA-N -1 1 378.462 0.607 20 0 GCADMM Cc1ncncc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571313709 946529593 /nfs/dbraw/zinc/52/95/93/946529593.db2.gz VODUCVXCZHPDHP-YHWZYXNKSA-N -1 1 392.427 0.685 20 0 GCADMM Cc1ncncc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571313709 946529606 /nfs/dbraw/zinc/52/96/06/946529606.db2.gz VODUCVXCZHPDHP-YHWZYXNKSA-N -1 1 392.427 0.685 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571313828 946535759 /nfs/dbraw/zinc/53/57/59/946535759.db2.gz WIFLWWOAVOYTBO-CYBMUJFWSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571313828 946535765 /nfs/dbraw/zinc/53/57/65/946535765.db2.gz WIFLWWOAVOYTBO-CYBMUJFWSA-N -1 1 392.427 0.723 20 0 GCADMM Cc1cc(C(=O)N[C@@]23CCC[C@@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)cnn1 ZINC001571313926 946538106 /nfs/dbraw/zinc/53/81/06/946538106.db2.gz XPYPPFCNDYVXCQ-KBXCAEBGSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(C(=O)N[C@@]23CCC[C@@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)cnn1 ZINC001571313926 946538115 /nfs/dbraw/zinc/53/81/15/946538115.db2.gz XPYPPFCNDYVXCQ-KBXCAEBGSA-N -1 1 392.427 0.687 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571314013 946540618 /nfs/dbraw/zinc/54/06/18/946540618.db2.gz ZHMJIEVIHVFABC-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccnnc1)N1CCC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571314013 946540630 /nfs/dbraw/zinc/54/06/30/946540630.db2.gz ZHMJIEVIHVFABC-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573517365 946571905 /nfs/dbraw/zinc/57/19/05/946571905.db2.gz IRIBHUCJUICOMT-LLVKDONJSA-N -1 1 378.462 0.100 20 0 GCADMM CC(=O)NCC(=O)NCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573517626 946578880 /nfs/dbraw/zinc/57/88/80/946578880.db2.gz ONXUTPVNEJISTO-UHFFFAOYSA-N -1 1 378.462 0.100 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573517855 946583020 /nfs/dbraw/zinc/58/30/20/946583020.db2.gz STKWOUJUPIFFTA-QMMMGPOBSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573517854 946583109 /nfs/dbraw/zinc/58/31/09/946583109.db2.gz STKWOUJUPIFFTA-MRVPVSSYSA-N -1 1 384.853 0.198 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571317325 946606096 /nfs/dbraw/zinc/60/60/96/946606096.db2.gz CXWFGKQJKXHPHB-KNVOCYPGSA-N -1 1 392.836 0.588 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317325 946606104 /nfs/dbraw/zinc/60/61/04/946606104.db2.gz CXWFGKQJKXHPHB-KNVOCYPGSA-N -1 1 392.836 0.588 20 0 GCADMM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@H]1CCCOC1 ZINC001571317338 946607095 /nfs/dbraw/zinc/60/70/95/946607095.db2.gz DGSFXMZQFCMGQR-STQMWFEESA-N -1 1 392.485 0.672 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573521475 946609265 /nfs/dbraw/zinc/60/92/65/946609265.db2.gz XJZQTIPSTKPPCO-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573521818 946614209 /nfs/dbraw/zinc/61/42/09/946614209.db2.gz IKZHCADFJAMSOL-SECBINFHSA-N -1 1 392.489 0.489 20 0 GCADMM CC[C@H](SC)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571317651 946616315 /nfs/dbraw/zinc/61/63/15/946616315.db2.gz PPROLBYDJORVCB-LRDDRELGSA-N -1 1 392.489 0.564 20 0 GCADMM CC[C@H](SC)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571317651 946616324 /nfs/dbraw/zinc/61/63/24/946616324.db2.gz PPROLBYDJORVCB-LRDDRELGSA-N -1 1 392.489 0.564 20 0 GCADMM CC[C@@H](SC)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571317653 946617087 /nfs/dbraw/zinc/61/70/87/946617087.db2.gz PPROLBYDJORVCB-WBMJQRKESA-N -1 1 392.489 0.564 20 0 GCADMM CC[C@@H](SC)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571317653 946617090 /nfs/dbraw/zinc/61/70/90/946617090.db2.gz PPROLBYDJORVCB-WBMJQRKESA-N -1 1 392.489 0.564 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573521999 946617348 /nfs/dbraw/zinc/61/73/48/946617348.db2.gz TZDUAUFATGZSLT-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573522098 946622154 /nfs/dbraw/zinc/62/21/54/946622154.db2.gz AMTZDFXPDSNQBZ-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573522098 946622162 /nfs/dbraw/zinc/62/21/62/946622162.db2.gz AMTZDFXPDSNQBZ-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573522102 946622526 /nfs/dbraw/zinc/62/25/26/946622526.db2.gz APQRMBPYUIQFAW-LBPRGKRZSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573522102 946622535 /nfs/dbraw/zinc/62/25/35/946622535.db2.gz APQRMBPYUIQFAW-LBPRGKRZSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522401 946625542 /nfs/dbraw/zinc/62/55/42/946625542.db2.gz FCMIXPCOYKOYMN-ZWNOBZJWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573522401 946625547 /nfs/dbraw/zinc/62/55/47/946625547.db2.gz FCMIXPCOYKOYMN-ZWNOBZJWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573522959 946632084 /nfs/dbraw/zinc/63/20/84/946632084.db2.gz NOOOSMXHZXZUGA-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573522959 946632090 /nfs/dbraw/zinc/63/20/90/946632090.db2.gz NOOOSMXHZXZUGA-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573522910 946632303 /nfs/dbraw/zinc/63/23/03/946632303.db2.gz MXVSLKOTWPCAJR-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573522910 946632309 /nfs/dbraw/zinc/63/23/09/946632309.db2.gz MXVSLKOTWPCAJR-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573522904 946632606 /nfs/dbraw/zinc/63/26/06/946632606.db2.gz MTPKWHSFFKIKPC-LBPRGKRZSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573522904 946632614 /nfs/dbraw/zinc/63/26/14/946632614.db2.gz MTPKWHSFFKIKPC-LBPRGKRZSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573523414 946634343 /nfs/dbraw/zinc/63/43/43/946634343.db2.gz QZDFPWDIUKZLAI-SNVBAGLBSA-N -1 1 389.464 0.434 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573523414 946634349 /nfs/dbraw/zinc/63/43/49/946634349.db2.gz QZDFPWDIUKZLAI-SNVBAGLBSA-N -1 1 389.464 0.434 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573523641 946637263 /nfs/dbraw/zinc/63/72/63/946637263.db2.gz TWVSBOORFLZVNA-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573523641 946637269 /nfs/dbraw/zinc/63/72/69/946637269.db2.gz TWVSBOORFLZVNA-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573523793 946639321 /nfs/dbraw/zinc/63/93/21/946639321.db2.gz WOJBRGRCDXYKAD-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573523793 946639324 /nfs/dbraw/zinc/63/93/24/946639324.db2.gz WOJBRGRCDXYKAD-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573524012 946641157 /nfs/dbraw/zinc/64/11/57/946641157.db2.gz ZFKXFQHHULDQCU-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573524012 946641166 /nfs/dbraw/zinc/64/11/66/946641166.db2.gz ZFKXFQHHULDQCU-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)Cn1ncnc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000824284019 946643575 /nfs/dbraw/zinc/64/35/75/946643575.db2.gz ADOUXQIAAKPVMV-ZDUSSCGKSA-N -1 1 383.464 0.615 20 0 GCADMM CC(C)Cn1ncnc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000824284019 946643580 /nfs/dbraw/zinc/64/35/80/946643580.db2.gz ADOUXQIAAKPVMV-ZDUSSCGKSA-N -1 1 383.464 0.615 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573527928 946650569 /nfs/dbraw/zinc/65/05/69/946650569.db2.gz LYLVIJQLIBCELM-TXEJJXNPSA-N -1 1 387.448 0.187 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573527928 946650576 /nfs/dbraw/zinc/65/05/76/946650576.db2.gz LYLVIJQLIBCELM-TXEJJXNPSA-N -1 1 387.448 0.187 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573528131 946657131 /nfs/dbraw/zinc/65/71/31/946657131.db2.gz VQHVJNLHIBJMFO-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573528131 946657135 /nfs/dbraw/zinc/65/71/35/946657135.db2.gz VQHVJNLHIBJMFO-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)C(C)C ZINC001573536006 946729607 /nfs/dbraw/zinc/72/96/07/946729607.db2.gz NSAQVUIDZIVJNT-CQSZACIVSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)C(C)C ZINC001573536006 946729616 /nfs/dbraw/zinc/72/96/16/946729616.db2.gz NSAQVUIDZIVJNT-CQSZACIVSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C(C)C ZINC001573537406 946746540 /nfs/dbraw/zinc/74/65/40/946746540.db2.gz NIVWHFKOHAEWEF-QWHCGFSZSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C(C)C ZINC001573537406 946746542 /nfs/dbraw/zinc/74/65/42/946746542.db2.gz NIVWHFKOHAEWEF-QWHCGFSZSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573537502 946750352 /nfs/dbraw/zinc/75/03/52/946750352.db2.gz DSMWAURJQXJKLM-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573537502 946750361 /nfs/dbraw/zinc/75/03/61/946750361.db2.gz DSMWAURJQXJKLM-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 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CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573541570 946787644 /nfs/dbraw/zinc/78/76/44/946787644.db2.gz RSRCNJXMLBTGKJ-GXFFZTMASA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573541570 946787653 /nfs/dbraw/zinc/78/76/53/946787653.db2.gz RSRCNJXMLBTGKJ-GXFFZTMASA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573541673 946788624 /nfs/dbraw/zinc/78/86/24/946788624.db2.gz VTJIWBQLPAVYCQ-WCQYABFASA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573541673 946788631 /nfs/dbraw/zinc/78/86/31/946788631.db2.gz VTJIWBQLPAVYCQ-WCQYABFASA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573541930 946789597 /nfs/dbraw/zinc/78/95/97/946789597.db2.gz YTSPSYDAKDJHPR-QMTHXVAHSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573541930 946789603 /nfs/dbraw/zinc/78/96/03/946789603.db2.gz YTSPSYDAKDJHPR-QMTHXVAHSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573541910 946790213 /nfs/dbraw/zinc/79/02/13/946790213.db2.gz XVZDPOPQENFBGP-BXKDBHETSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573541910 946790220 /nfs/dbraw/zinc/79/02/20/946790220.db2.gz XVZDPOPQENFBGP-BXKDBHETSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573541894 946790652 /nfs/dbraw/zinc/79/06/52/946790652.db2.gz XCGJXKNKMVPVDR-QMTHXVAHSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541894 946790662 /nfs/dbraw/zinc/79/06/62/946790662.db2.gz XCGJXKNKMVPVDR-QMTHXVAHSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573542324 946795501 /nfs/dbraw/zinc/79/55/01/946795501.db2.gz GQUIIVPDLNSLFJ-UHFFFAOYSA-N -1 1 381.400 0.221 20 0 GCADMM CC(=O)Nc1cc(C(=O)N[C@@H](C)CNc2nccnc2-c2nnn[n-]2)ccn1 ZINC001573542779 946800793 /nfs/dbraw/zinc/80/07/93/946800793.db2.gz OZPFHEXBRWIJCQ-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)N[C@@H](C)CNc2nccnc2-c2nn[n-]n2)ccn1 ZINC001573542779 946800803 /nfs/dbraw/zinc/80/08/03/946800803.db2.gz OZPFHEXBRWIJCQ-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573542752 946801497 /nfs/dbraw/zinc/80/14/97/946801497.db2.gz ORPPVPDNFNHWDI-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573542752 946801508 /nfs/dbraw/zinc/80/15/08/946801508.db2.gz ORPPVPDNFNHWDI-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001573543446 946809236 /nfs/dbraw/zinc/80/92/36/946809236.db2.gz ZIAJPDDWMNARGH-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001573543446 946809252 /nfs/dbraw/zinc/80/92/52/946809252.db2.gz ZIAJPDDWMNARGH-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N[C@H](C)CNc2nccnc2-c2nnn[n-]2)c1 ZINC001573546480 946810000 /nfs/dbraw/zinc/81/00/00/946810000.db2.gz AQCRJIYUPLSEDP-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N[C@H](C)CNc2nccnc2-c2nn[n-]n2)c1 ZINC001573546480 946810012 /nfs/dbraw/zinc/81/00/12/946810012.db2.gz AQCRJIYUPLSEDP-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001573546582 946811699 /nfs/dbraw/zinc/81/16/99/946811699.db2.gz GLXKRMBYXGIZHL-UHFFFAOYSA-N -1 1 381.400 0.799 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001573546582 946811709 /nfs/dbraw/zinc/81/17/09/946811709.db2.gz GLXKRMBYXGIZHL-UHFFFAOYSA-N -1 1 381.400 0.799 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001573547069 946825428 /nfs/dbraw/zinc/82/54/28/946825428.db2.gz GJGGJYHSLRGFBF-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001573547069 946825437 /nfs/dbraw/zinc/82/54/37/946825437.db2.gz GJGGJYHSLRGFBF-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001573547066 946826466 /nfs/dbraw/zinc/82/64/66/946826466.db2.gz GIRAPVRSUILCPH-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001573547066 946826481 /nfs/dbraw/zinc/82/64/81/946826481.db2.gz GIRAPVRSUILCPH-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001573547931 946844033 /nfs/dbraw/zinc/84/40/33/946844033.db2.gz YOYSKYGJPLEWIJ-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001573547931 946844039 /nfs/dbraw/zinc/84/40/39/946844039.db2.gz YOYSKYGJPLEWIJ-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001573548191 946848305 /nfs/dbraw/zinc/84/83/05/946848305.db2.gz FEJQCFHAJZDDQD-ZETCQYMHSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001573548191 946848330 /nfs/dbraw/zinc/84/83/30/946848330.db2.gz FEJQCFHAJZDDQD-ZETCQYMHSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001573548837 946858819 /nfs/dbraw/zinc/85/88/19/946858819.db2.gz VTMDZMTWDRRISY-ZETCQYMHSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001573548837 946858831 /nfs/dbraw/zinc/85/88/31/946858831.db2.gz VTMDZMTWDRRISY-ZETCQYMHSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1ccccc1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573548772 946859273 /nfs/dbraw/zinc/85/92/73/946859273.db2.gz URICISKELWHERN-UHFFFAOYSA-N -1 1 384.356 0.116 20 0 GCADMM CC(=O)c1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)cs1 ZINC001573554546 946901412 /nfs/dbraw/zinc/90/14/12/946901412.db2.gz WYRUUDJWDHQDRV-UHFFFAOYSA-N -1 1 388.413 0.943 20 0 GCADMM CC(=O)c1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)cs1 ZINC001573554546 946901417 /nfs/dbraw/zinc/90/14/17/946901417.db2.gz WYRUUDJWDHQDRV-UHFFFAOYSA-N -1 1 388.413 0.943 20 0 GCADMM CC(=O)c1cn(CC(=O)Nc2c(C)c(-c3nnn[n-]3)nn2-c2ccccc2)nn1 ZINC001573558968 946944797 /nfs/dbraw/zinc/94/47/97/946944797.db2.gz SJGWCQICDUCVRV-UHFFFAOYSA-N -1 1 392.383 0.794 20 0 GCADMM CC(=O)c1cn(CC(=O)Nc2c(C)c(-c3nn[n-]n3)nn2-c2ccccc2)nn1 ZINC001573558968 946944808 /nfs/dbraw/zinc/94/48/08/946944808.db2.gz SJGWCQICDUCVRV-UHFFFAOYSA-N -1 1 392.383 0.794 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)[C@H](CC)CN1C(C)=O ZINC000825206067 947116834 /nfs/dbraw/zinc/11/68/34/947116834.db2.gz YWRWXAVRAOSSOO-CHWSQXEVSA-N -1 1 375.433 0.954 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)[C@H](CC)CN1C(C)=O ZINC000825206067 947116842 /nfs/dbraw/zinc/11/68/42/947116842.db2.gz YWRWXAVRAOSSOO-CHWSQXEVSA-N -1 1 375.433 0.954 20 0 GCADMM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825300806 947147013 /nfs/dbraw/zinc/14/70/13/947147013.db2.gz DWNBMYFDSXRRBY-NSHDSACASA-N -1 1 379.446 0.476 20 0 GCADMM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825300806 947147016 /nfs/dbraw/zinc/14/70/16/947147016.db2.gz DWNBMYFDSXRRBY-NSHDSACASA-N -1 1 379.446 0.476 20 0 GCADMM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825492615 947202762 /nfs/dbraw/zinc/20/27/62/947202762.db2.gz HJEXFYZGYRFORF-CQSZACIVSA-N -1 1 384.396 0.996 20 0 GCADMM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825492615 947202772 /nfs/dbraw/zinc/20/27/72/947202772.db2.gz HJEXFYZGYRFORF-CQSZACIVSA-N -1 1 384.396 0.996 20 0 GCADMM CCOC(=O)C1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000825494268 947205519 /nfs/dbraw/zinc/20/55/19/947205519.db2.gz VAXZRMHZJDKNOK-NSHDSACASA-N -1 1 386.416 0.037 20 0 GCADMM CCOC(=O)C1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000825494268 947205527 /nfs/dbraw/zinc/20/55/27/947205527.db2.gz VAXZRMHZJDKNOK-NSHDSACASA-N -1 1 386.416 0.037 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000825565329 947225272 /nfs/dbraw/zinc/22/52/72/947225272.db2.gz RDTSCRVQVUNMBX-QWHCGFSZSA-N -1 1 389.416 0.410 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NCCOc2cccc(C)c2)c1-c1nn[n-]n1 ZINC000825565082 947225675 /nfs/dbraw/zinc/22/56/75/947225675.db2.gz LMKNVPRSIANFDY-UHFFFAOYSA-N -1 1 399.411 0.744 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)Nc2cccc(NC(C)=O)c2)c1-c1nn[n-]n1 ZINC000825571322 947236187 /nfs/dbraw/zinc/23/61/87/947236187.db2.gz XXCTZMCYAFRQLZ-UHFFFAOYSA-N -1 1 398.383 0.837 20 0 GCADMM CCOC(=O)c1cnn(CCS(=O)(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000825571325 947236469 /nfs/dbraw/zinc/23/64/69/947236469.db2.gz YAHNROGVLJMVOP-UHFFFAOYSA-N -1 1 376.398 0.714 20 0 GCADMM C=C/C(C)=C/CC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573316916 947285736 /nfs/dbraw/zinc/28/57/36/947285736.db2.gz JMFKYINOOKTDDD-QXRVUDHASA-N -1 1 384.444 0.891 20 0 GCADMM C=C/C(C)=C/CC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573316916 947285744 /nfs/dbraw/zinc/28/57/44/947285744.db2.gz JMFKYINOOKTDDD-QXRVUDHASA-N -1 1 384.444 0.891 20 0 GCADMM C=C/C(C)=C/CC(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573317710 947300750 /nfs/dbraw/zinc/30/07/50/947300750.db2.gz OQKSBENMWBYSLT-LNKIKWGQSA-N -1 1 383.460 0.417 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573591707 947316810 /nfs/dbraw/zinc/31/68/10/947316810.db2.gz DMSUHLOKKGKZOH-BDAKNGLRSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573591707 947316825 /nfs/dbraw/zinc/31/68/25/947316825.db2.gz DMSUHLOKKGKZOH-BDAKNGLRSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573591683 947318046 /nfs/dbraw/zinc/31/80/46/947318046.db2.gz DHLUMWLNOVQONO-RYUDHWBXSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573592013 947325957 /nfs/dbraw/zinc/32/59/57/947325957.db2.gz HXFVYEBJYTYUJR-VXGBXAGGSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573592013 947325969 /nfs/dbraw/zinc/32/59/69/947325969.db2.gz HXFVYEBJYTYUJR-VXGBXAGGSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001573592582 947341416 /nfs/dbraw/zinc/34/14/16/947341416.db2.gz KQPYMPRBBKIOCL-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001573592582 947341422 /nfs/dbraw/zinc/34/14/22/947341422.db2.gz KQPYMPRBBKIOCL-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573592683 947344851 /nfs/dbraw/zinc/34/48/51/947344851.db2.gz FFBZKFSIHMZYPQ-QFWMXSHPSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573592683 947344864 /nfs/dbraw/zinc/34/48/64/947344864.db2.gz FFBZKFSIHMZYPQ-QFWMXSHPSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573593310 947366688 /nfs/dbraw/zinc/36/66/88/947366688.db2.gz JTPFVJYAABHULX-AAEUAGOBSA-N -1 1 382.432 0.185 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001573593308 947367157 /nfs/dbraw/zinc/36/71/57/947367157.db2.gz JSMAYZKMWOSTJA-SMDDNHRTSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001573593308 947367166 /nfs/dbraw/zinc/36/71/66/947367166.db2.gz JSMAYZKMWOSTJA-SMDDNHRTSA-N -1 1 382.432 0.763 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSC[C@H]1CCCCO1 ZINC000825929258 947374378 /nfs/dbraw/zinc/37/43/78/947374378.db2.gz DSDOLDYFBDGDAF-LLVKDONJSA-N -1 1 394.505 0.865 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSC[C@H]1CCCCO1 ZINC000825929258 947374392 /nfs/dbraw/zinc/37/43/92/947374392.db2.gz DSDOLDYFBDGDAF-LLVKDONJSA-N -1 1 394.505 0.865 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSC[C@@H]1CCCCO1 ZINC000825929261 947376070 /nfs/dbraw/zinc/37/60/70/947376070.db2.gz DSDOLDYFBDGDAF-NSHDSACASA-N -1 1 394.505 0.865 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSC[C@@H]1CCCCO1 ZINC000825929261 947376081 /nfs/dbraw/zinc/37/60/81/947376081.db2.gz DSDOLDYFBDGDAF-NSHDSACASA-N -1 1 394.505 0.865 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(N)nc(Cl)c1 ZINC000825933319 947376146 /nfs/dbraw/zinc/37/61/46/947376146.db2.gz BOSGJERHZIBWOU-UHFFFAOYSA-N -1 1 376.812 0.507 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(N)nc(Cl)c1 ZINC000825933319 947376164 /nfs/dbraw/zinc/37/61/64/947376164.db2.gz BOSGJERHZIBWOU-UHFFFAOYSA-N -1 1 376.812 0.507 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573593696 947376688 /nfs/dbraw/zinc/37/66/88/947376688.db2.gz UXIGYHBSROLJNB-NXEZZACHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573594461 947395207 /nfs/dbraw/zinc/39/52/07/947395207.db2.gz ZIEGIXIUZYKWMT-NWDGAFQWSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573594461 947395220 /nfs/dbraw/zinc/39/52/20/947395220.db2.gz ZIEGIXIUZYKWMT-NWDGAFQWSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573594699 947402624 /nfs/dbraw/zinc/40/26/24/947402624.db2.gz CKIJKKYETSIMKS-QWRGUYRKSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573594699 947402632 /nfs/dbraw/zinc/40/26/32/947402632.db2.gz CKIJKKYETSIMKS-QWRGUYRKSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573594700 947403898 /nfs/dbraw/zinc/40/38/98/947403898.db2.gz CKIJKKYETSIMKS-WDEREUQCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573594700 947403902 /nfs/dbraw/zinc/40/39/02/947403902.db2.gz CKIJKKYETSIMKS-WDEREUQCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001573594757 947405756 /nfs/dbraw/zinc/40/57/56/947405756.db2.gz RVNJZSXKQWTPMZ-FZMZJTMJSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573594757 947405761 /nfs/dbraw/zinc/40/57/61/947405761.db2.gz RVNJZSXKQWTPMZ-FZMZJTMJSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573594888 947410786 /nfs/dbraw/zinc/41/07/86/947410786.db2.gz DKFBVWQQOFCFML-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573594888 947410792 /nfs/dbraw/zinc/41/07/92/947410792.db2.gz DKFBVWQQOFCFML-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(-c3nn[nH]n3)cc2OC)o1 ZINC000826090760 947423852 /nfs/dbraw/zinc/42/38/52/947423852.db2.gz NWTRFDFWLKFTOM-UHFFFAOYSA-N -1 1 393.381 0.733 20 0 GCADMM CNS(=O)(=O)c1ccc(C)c(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826089914 947424403 /nfs/dbraw/zinc/42/44/03/947424403.db2.gz AFNJCGANCUELAC-UHFFFAOYSA-N -1 1 391.413 0.561 20 0 GCADMM CNS(=O)(=O)c1ccc(C)c(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826089914 947424410 /nfs/dbraw/zinc/42/44/10/947424410.db2.gz AFNJCGANCUELAC-UHFFFAOYSA-N -1 1 391.413 0.561 20 0 GCADMM CNS(=O)(=O)c1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1C ZINC000826089938 947425378 /nfs/dbraw/zinc/42/53/78/947425378.db2.gz AWFIIEWUGDHVFC-UHFFFAOYSA-N -1 1 391.413 0.561 20 0 GCADMM CNS(=O)(=O)c1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1C ZINC000826089938 947425385 /nfs/dbraw/zinc/42/53/85/947425385.db2.gz AWFIIEWUGDHVFC-UHFFFAOYSA-N -1 1 391.413 0.561 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573596520 947428706 /nfs/dbraw/zinc/42/87/06/947428706.db2.gz KVSFGAWIZLALSA-GHMZBOCLSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573596520 947428714 /nfs/dbraw/zinc/42/87/14/947428714.db2.gz KVSFGAWIZLALSA-GHMZBOCLSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573599211 947451140 /nfs/dbraw/zinc/45/11/40/947451140.db2.gz VUWUEUSXBBFDNI-WCQYABFASA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573599211 947451145 /nfs/dbraw/zinc/45/11/45/947451145.db2.gz VUWUEUSXBBFDNI-WCQYABFASA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001573602569 947468018 /nfs/dbraw/zinc/46/80/18/947468018.db2.gz FLGQRSWXSYPSDS-ZDUSSCGKSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573602187 947468845 /nfs/dbraw/zinc/46/88/45/947468845.db2.gz DKAXVIXBRDTLAD-JTQLQIEISA-N -1 1 386.503 0.252 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1)n1cncn1 ZINC001573603391 947484095 /nfs/dbraw/zinc/48/40/95/947484095.db2.gz GAHCDSQWWCNKGZ-SSDOTTSWSA-N -1 1 382.841 0.700 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1)n1cncn1 ZINC001573603391 947484099 /nfs/dbraw/zinc/48/40/99/947484099.db2.gz GAHCDSQWWCNKGZ-SSDOTTSWSA-N -1 1 382.841 0.700 20 0 GCADMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826160474 947502836 /nfs/dbraw/zinc/50/28/36/947502836.db2.gz SXSBYDPFPARPCL-ZYHUDNBSSA-N -1 1 391.432 0.095 20 0 GCADMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826160474 947502846 /nfs/dbraw/zinc/50/28/46/947502846.db2.gz SXSBYDPFPARPCL-ZYHUDNBSSA-N -1 1 391.432 0.095 20 0 GCADMM COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])sc1S(N)(=O)=O ZINC000826177456 947550799 /nfs/dbraw/zinc/55/07/99/947550799.db2.gz JFWXOOFOAXVPOP-UHFFFAOYSA-N -1 1 396.410 0.542 20 0 GCADMM C[C@@H](C(=O)N(Cc1cccc(C(N)=O)c1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573607784 947552625 /nfs/dbraw/zinc/55/26/25/947552625.db2.gz RJIQKBUWNJMKSK-JTQLQIEISA-N -1 1 381.400 0.309 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001573613860 947573368 /nfs/dbraw/zinc/57/33/68/947573368.db2.gz JRFVKDWBPBIKLE-XPCVCDNBSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001573613860 947573373 /nfs/dbraw/zinc/57/33/73/947573373.db2.gz JRFVKDWBPBIKLE-XPCVCDNBSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573615593 947606384 /nfs/dbraw/zinc/60/63/84/947606384.db2.gz SWJJAHDTMGLGHH-UPJWGTAASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573615593 947606392 /nfs/dbraw/zinc/60/63/92/947606392.db2.gz SWJJAHDTMGLGHH-UPJWGTAASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573615545 947607161 /nfs/dbraw/zinc/60/71/61/947607161.db2.gz SHWMBYDSLXUYMO-MCIONIFRSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573615545 947607165 /nfs/dbraw/zinc/60/71/65/947607165.db2.gz SHWMBYDSLXUYMO-MCIONIFRSA-N -1 1 379.428 0.899 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001573351090 947607907 /nfs/dbraw/zinc/60/79/07/947607907.db2.gz KBJVPJDJPJUJFB-AWEZNQCLSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001573351090 947607910 /nfs/dbraw/zinc/60/79/10/947607910.db2.gz KBJVPJDJPJUJFB-AWEZNQCLSA-N -1 1 380.412 0.845 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573615940 947612998 /nfs/dbraw/zinc/61/29/98/947612998.db2.gz LEYAVFKNVMEGRM-QWHCGFSZSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573615940 947613005 /nfs/dbraw/zinc/61/30/05/947613005.db2.gz LEYAVFKNVMEGRM-QWHCGFSZSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cccn1 ZINC001573616535 947623067 /nfs/dbraw/zinc/62/30/67/947623067.db2.gz WZRUJBMJHSESHM-RYUDHWBXSA-N -1 1 382.432 0.185 20 0 GCADMM COc1cccc(C(=O)NCCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826213969 947626589 /nfs/dbraw/zinc/62/65/89/947626589.db2.gz URWPEDLWLUXYKO-UHFFFAOYSA-N -1 1 385.384 0.260 20 0 GCADMM COc1cccc(C(=O)NCCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826213969 947626594 /nfs/dbraw/zinc/62/65/94/947626594.db2.gz URWPEDLWLUXYKO-UHFFFAOYSA-N -1 1 385.384 0.260 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573616747 947626950 /nfs/dbraw/zinc/62/69/50/947626950.db2.gz NGRCTPBBKJWCRX-LLVKDONJSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573616747 947626957 /nfs/dbraw/zinc/62/69/57/947626957.db2.gz NGRCTPBBKJWCRX-LLVKDONJSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cncn1 ZINC001573616853 947629714 /nfs/dbraw/zinc/62/97/14/947629714.db2.gz YWEYNXXLKACZRR-CMPLNLGQSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cncn1 ZINC001573616853 947629721 /nfs/dbraw/zinc/62/97/21/947629721.db2.gz YWEYNXXLKACZRR-CMPLNLGQSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573617365 947633771 /nfs/dbraw/zinc/63/37/71/947633771.db2.gz OXPVEAFPQPSQPI-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573617365 947633783 /nfs/dbraw/zinc/63/37/83/947633783.db2.gz OXPVEAFPQPSQPI-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573617482 947637333 /nfs/dbraw/zinc/63/73/33/947637333.db2.gz LTQSYKKGIIYXAW-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573617482 947637337 /nfs/dbraw/zinc/63/73/37/947637337.db2.gz LTQSYKKGIIYXAW-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H](CO)Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573355102 947641143 /nfs/dbraw/zinc/64/11/43/947641143.db2.gz MPGDOPAIPHRIEH-CQSZACIVSA-N -1 1 380.412 0.811 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H](CO)Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573355102 947641149 /nfs/dbraw/zinc/64/11/49/947641149.db2.gz MPGDOPAIPHRIEH-CQSZACIVSA-N -1 1 380.412 0.811 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573617919 947643905 /nfs/dbraw/zinc/64/39/05/947643905.db2.gz QQVSLOFYTOFGRH-BZNIZROVSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573617919 947643907 /nfs/dbraw/zinc/64/39/07/947643907.db2.gz QQVSLOFYTOFGRH-BZNIZROVSA-N -1 1 383.420 0.160 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573355838 947645506 /nfs/dbraw/zinc/64/55/06/947645506.db2.gz QQBKFAHYCMTYLL-IBGZPJMESA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573355838 947645514 /nfs/dbraw/zinc/64/55/14/947645514.db2.gz QQBKFAHYCMTYLL-IBGZPJMESA-N -1 1 392.423 0.671 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573618811 947656099 /nfs/dbraw/zinc/65/60/99/947656099.db2.gz SHCOIMOGLPVBEJ-IUODEOHRSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573618811 947656103 /nfs/dbraw/zinc/65/61/03/947656103.db2.gz SHCOIMOGLPVBEJ-IUODEOHRSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573618932 947656962 /nfs/dbraw/zinc/65/69/62/947656962.db2.gz UADGMBVSKQISPG-LBPRGKRZSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573619189 947659920 /nfs/dbraw/zinc/65/99/20/947659920.db2.gz URQNHZRYGBIFGB-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573619358 947664523 /nfs/dbraw/zinc/66/45/23/947664523.db2.gz VOYHHTSQRHOMRN-OLZOCXBDSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573619358 947664528 /nfs/dbraw/zinc/66/45/28/947664528.db2.gz VOYHHTSQRHOMRN-OLZOCXBDSA-N -1 1 382.432 0.399 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCc2ccnc(N(C)C)n2)cc1-c1nn[n-]n1 ZINC000826229989 947672536 /nfs/dbraw/zinc/67/25/36/947672536.db2.gz ZHSBMONQHIREKG-UHFFFAOYSA-N -1 1 387.429 0.475 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)cc1 ZINC001573358906 947673253 /nfs/dbraw/zinc/67/32/53/947673253.db2.gz LVCXKTYYJGIKNG-HUUCEWRRSA-N -1 1 378.396 0.279 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)cc1 ZINC001573358906 947673258 /nfs/dbraw/zinc/67/32/58/947673258.db2.gz LVCXKTYYJGIKNG-HUUCEWRRSA-N -1 1 378.396 0.279 20 0 GCADMM C[C@H](C(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2)C1CC1 ZINC001573623431 947688551 /nfs/dbraw/zinc/68/85/51/947688551.db2.gz FSPFCIZZKFTWEO-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2)C1CC1 ZINC001573623677 947690480 /nfs/dbraw/zinc/69/04/80/947690480.db2.gz HOYFCXWWXGKOON-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2)C1CC1 ZINC001573623677 947690494 /nfs/dbraw/zinc/69/04/94/947690494.db2.gz HOYFCXWWXGKOON-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001573626336 947708144 /nfs/dbraw/zinc/70/81/44/947708144.db2.gz SYNZBLNVYHHRFK-NSHDSACASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573626336 947708152 /nfs/dbraw/zinc/70/81/52/947708152.db2.gz SYNZBLNVYHHRFK-NSHDSACASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573628134 947745168 /nfs/dbraw/zinc/74/51/68/947745168.db2.gz FNNKHRFSIAMYGI-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573628134 947745179 /nfs/dbraw/zinc/74/51/79/947745179.db2.gz FNNKHRFSIAMYGI-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573628144 947745449 /nfs/dbraw/zinc/74/54/49/947745449.db2.gz FPVPPQCMHZPGTI-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573628144 947745462 /nfs/dbraw/zinc/74/54/62/947745462.db2.gz FPVPPQCMHZPGTI-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573628277 947751029 /nfs/dbraw/zinc/75/10/29/947751029.db2.gz KEDSXXZDCZCUDA-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573628277 947751038 /nfs/dbraw/zinc/75/10/38/947751038.db2.gz KEDSXXZDCZCUDA-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM CC(=O)CCCC(=O)N1CCC([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573368325 947766474 /nfs/dbraw/zinc/76/64/74/947766474.db2.gz MRCFDSAFALTORR-ZDUSSCGKSA-N -1 1 386.460 0.877 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573629099 947770884 /nfs/dbraw/zinc/77/08/84/947770884.db2.gz MDIIWSLFAPGPGP-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573629099 947770898 /nfs/dbraw/zinc/77/08/98/947770898.db2.gz MDIIWSLFAPGPGP-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573629341 947777957 /nfs/dbraw/zinc/77/79/57/947777957.db2.gz SCVPQUMHJHEOPX-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573629341 947777959 /nfs/dbraw/zinc/77/79/59/947777959.db2.gz SCVPQUMHJHEOPX-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573372661 947782222 /nfs/dbraw/zinc/78/22/22/947782222.db2.gz BHSRTURRAGSSDU-QGZVFWFLSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573372661 947782230 /nfs/dbraw/zinc/78/22/30/947782230.db2.gz BHSRTURRAGSSDU-QGZVFWFLSA-N -1 1 388.432 0.181 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573630015 947785376 /nfs/dbraw/zinc/78/53/76/947785376.db2.gz PZWDUHWWLFZKFF-ZJUUUORDSA-N -1 1 384.366 0.928 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573373490 947794944 /nfs/dbraw/zinc/79/49/44/947794944.db2.gz JKCATGPLTUSLRZ-ZIAGYGMSSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573631105 947797192 /nfs/dbraw/zinc/79/71/92/947797192.db2.gz SWDWRMWKEOKACI-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573631105 947797199 /nfs/dbraw/zinc/79/71/99/947797199.db2.gz SWDWRMWKEOKACI-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573631795 947804990 /nfs/dbraw/zinc/80/49/90/947804990.db2.gz WXUAPVDXPSGVFP-GXTWGEPZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573631795 947804999 /nfs/dbraw/zinc/80/49/99/947804999.db2.gz WXUAPVDXPSGVFP-GXTWGEPZSA-N -1 1 386.460 0.493 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573374580 947808765 /nfs/dbraw/zinc/80/87/65/947808765.db2.gz OBXGKGMZDYFJLM-SFHVURJKSA-N -1 1 384.444 0.845 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573637432 947814276 /nfs/dbraw/zinc/81/42/76/947814276.db2.gz CVMQZOOPAFIGNI-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccnc1 ZINC001573637567 947816783 /nfs/dbraw/zinc/81/67/83/947816783.db2.gz JFJDZAVPCFRNMX-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC001573637567 947816789 /nfs/dbraw/zinc/81/67/89/947816789.db2.gz JFJDZAVPCFRNMX-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cccnc1 ZINC001573637691 947821902 /nfs/dbraw/zinc/82/19/02/947821902.db2.gz NIYCHOFCFNOGJR-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cccnc1 ZINC001573637691 947821916 /nfs/dbraw/zinc/82/19/16/947821916.db2.gz NIYCHOFCFNOGJR-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001573637783 947825525 /nfs/dbraw/zinc/82/55/25/947825525.db2.gz QOSLFOSCNGSNOB-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001573637783 947825542 /nfs/dbraw/zinc/82/55/42/947825542.db2.gz QOSLFOSCNGSNOB-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573376072 947829649 /nfs/dbraw/zinc/82/96/49/947829649.db2.gz VZSNEKFIKSRYBG-KBPBESRZSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573376072 947829662 /nfs/dbraw/zinc/82/96/62/947829662.db2.gz VZSNEKFIKSRYBG-KBPBESRZSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573376322 947834627 /nfs/dbraw/zinc/83/46/27/947834627.db2.gz YNZRXEFJGWUEBQ-SFHVURJKSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573376322 947834632 /nfs/dbraw/zinc/83/46/32/947834632.db2.gz YNZRXEFJGWUEBQ-SFHVURJKSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376402 947836702 /nfs/dbraw/zinc/83/67/02/947836702.db2.gz ZTKVTDVXLZZLLJ-KBPBESRZSA-N -1 1 384.444 0.843 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573639755 947849065 /nfs/dbraw/zinc/84/90/65/947849065.db2.gz CHYVJWBUSFUIRH-RKDXNWHRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573639755 947849076 /nfs/dbraw/zinc/84/90/76/947849076.db2.gz CHYVJWBUSFUIRH-RKDXNWHRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573641834 947859767 /nfs/dbraw/zinc/85/97/67/947859767.db2.gz NXEBULPGMKKNBT-GXTWGEPZSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573643516 947865302 /nfs/dbraw/zinc/86/53/02/947865302.db2.gz URNHEWDULBHKIQ-IUCAKERBSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573643516 947865307 /nfs/dbraw/zinc/86/53/07/947865307.db2.gz URNHEWDULBHKIQ-IUCAKERBSA-N -1 1 386.338 0.494 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573381485 947873918 /nfs/dbraw/zinc/87/39/18/947873918.db2.gz WDMZMMGHBXNTCQ-QMMMGPOBSA-N -1 1 387.853 0.625 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cccnc1 ZINC001573646740 947878115 /nfs/dbraw/zinc/87/81/15/947878115.db2.gz RYCWDBQXMZNCHV-DUVNUKRYSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cccnc1 ZINC001573646740 947878124 /nfs/dbraw/zinc/87/81/24/947878124.db2.gz RYCWDBQXMZNCHV-DUVNUKRYSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cccnc1 ZINC001573646800 947879763 /nfs/dbraw/zinc/87/97/63/947879763.db2.gz VSKJWIOCBKIBHE-VHDGCEQUSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cccnc1 ZINC001573646800 947879769 /nfs/dbraw/zinc/87/97/69/947879769.db2.gz VSKJWIOCBKIBHE-VHDGCEQUSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647066 947882018 /nfs/dbraw/zinc/88/20/18/947882018.db2.gz BJDVGRBOUMXVEC-YIYPIFLZSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647065 947882249 /nfs/dbraw/zinc/88/22/49/947882249.db2.gz BJDVGRBOUMXVEC-MQYQWHSLSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cccn1 ZINC001573647109 947884151 /nfs/dbraw/zinc/88/41/51/947884151.db2.gz CFDNUKWDFBZLLE-RWMBFGLXSA-N -1 1 380.416 0.009 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cccn1 ZINC001573647109 947884157 /nfs/dbraw/zinc/88/41/57/947884157.db2.gz CFDNUKWDFBZLLE-RWMBFGLXSA-N -1 1 380.416 0.009 20 0 GCADMM CC(=O)CCCC(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573382676 947885630 /nfs/dbraw/zinc/88/56/30/947885630.db2.gz JMKWRVIRAVMGJF-TZMCWYRMSA-N -1 1 386.460 0.995 20 0 GCADMM CC(=O)CCCC(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573382676 947885634 /nfs/dbraw/zinc/88/56/34/947885634.db2.gz JMKWRVIRAVMGJF-TZMCWYRMSA-N -1 1 386.460 0.995 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647283 947889138 /nfs/dbraw/zinc/88/91/38/947889138.db2.gz GZRYKWCYWWIXAF-GUIRCDHDSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647283 947889148 /nfs/dbraw/zinc/88/91/48/947889148.db2.gz GZRYKWCYWWIXAF-GUIRCDHDSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1ccco1 ZINC001573647272 947889840 /nfs/dbraw/zinc/88/98/40/947889840.db2.gz GQPDYYGWFULWLF-RWMBFGLXSA-N -1 1 380.412 0.948 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1ccco1 ZINC001573647272 947889847 /nfs/dbraw/zinc/88/98/47/947889847.db2.gz GQPDYYGWFULWLF-RWMBFGLXSA-N -1 1 380.412 0.948 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573383444 947891116 /nfs/dbraw/zinc/89/11/16/947891116.db2.gz QQSZIHBJQYNOPD-ZDUSSCGKSA-N -1 1 388.432 0.046 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573383444 947891126 /nfs/dbraw/zinc/89/11/26/947891126.db2.gz QQSZIHBJQYNOPD-ZDUSSCGKSA-N -1 1 388.432 0.046 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)n1cccn1 ZINC001573647367 947891414 /nfs/dbraw/zinc/89/14/14/947891414.db2.gz IYGGBUMXLUYKJG-JHJVBQTASA-N -1 1 382.432 0.621 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)n1cccn1 ZINC001573647367 947891421 /nfs/dbraw/zinc/89/14/21/947891421.db2.gz IYGGBUMXLUYKJG-JHJVBQTASA-N -1 1 382.432 0.621 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cccn1 ZINC001573647572 947896901 /nfs/dbraw/zinc/89/69/01/947896901.db2.gz PFIYEFUHVOQQLC-FRRDWIJNSA-N -1 1 382.432 0.621 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cccn1 ZINC001573647572 947896914 /nfs/dbraw/zinc/89/69/14/947896914.db2.gz PFIYEFUHVOQQLC-FRRDWIJNSA-N -1 1 382.432 0.621 20 0 GCADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573383863 947897259 /nfs/dbraw/zinc/89/72/59/947897259.db2.gz DEHJECMXEKDTGC-UGSOOPFHSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573383863 947897273 /nfs/dbraw/zinc/89/72/73/947897273.db2.gz DEHJECMXEKDTGC-UGSOOPFHSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(C)(F)F ZINC001573647615 947900424 /nfs/dbraw/zinc/90/04/24/947900424.db2.gz QKHODVVORCKNEP-GARJFASQSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(C)(F)F ZINC001573647615 947900429 /nfs/dbraw/zinc/90/04/29/947900429.db2.gz QKHODVVORCKNEP-GARJFASQSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573647971 947904143 /nfs/dbraw/zinc/90/41/43/947904143.db2.gz WDYFPOHTGVMLON-NQBHXWOUSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573647971 947904148 /nfs/dbraw/zinc/90/41/48/947904148.db2.gz WDYFPOHTGVMLON-NQBHXWOUSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cncn1 ZINC001573648006 947905575 /nfs/dbraw/zinc/90/55/75/947905575.db2.gz WTZIWDFWVGNFEH-GRYCIOLGSA-N -1 1 383.420 0.016 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cncn1 ZINC001573648006 947905582 /nfs/dbraw/zinc/90/55/82/947905582.db2.gz WTZIWDFWVGNFEH-GRYCIOLGSA-N -1 1 383.420 0.016 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573387904 947914345 /nfs/dbraw/zinc/91/43/45/947914345.db2.gz FZPPOBDOHRPBSI-ZETCQYMHSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573387904 947914350 /nfs/dbraw/zinc/91/43/50/947914350.db2.gz FZPPOBDOHRPBSI-ZETCQYMHSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573389009 947922292 /nfs/dbraw/zinc/92/22/92/947922292.db2.gz OWUSXIFOIJTMHG-LBPRGKRZSA-N -1 1 392.489 0.759 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573389007 947922316 /nfs/dbraw/zinc/92/23/16/947922316.db2.gz OWUSXIFOIJTMHG-GFCCVEGCSA-N -1 1 392.489 0.759 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573389118 947923994 /nfs/dbraw/zinc/92/39/94/947923994.db2.gz QLSCRNSSRONSLY-ZDUSSCGKSA-N -1 1 389.464 0.420 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573389118 947923999 /nfs/dbraw/zinc/92/39/99/947923999.db2.gz QLSCRNSSRONSLY-ZDUSSCGKSA-N -1 1 389.464 0.420 20 0 GCADMM Cc1cnc(CN(C)[C@@H]2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)o1 ZINC000826318471 947932600 /nfs/dbraw/zinc/93/26/00/947932600.db2.gz KUSQHDZXQCXQLG-GFCCVEGCSA-N -1 1 386.416 0.735 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573390969 947934041 /nfs/dbraw/zinc/93/40/41/947934041.db2.gz DXHJVQPTHBFFQR-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573390969 947934048 /nfs/dbraw/zinc/93/40/48/947934048.db2.gz DXHJVQPTHBFFQR-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573392019 947940428 /nfs/dbraw/zinc/94/04/28/947940428.db2.gz PFEQXWHAQFPBKH-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573392019 947940438 /nfs/dbraw/zinc/94/04/38/947940438.db2.gz PFEQXWHAQFPBKH-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573392189 947944184 /nfs/dbraw/zinc/94/41/84/947944184.db2.gz VZFREGVWUMIQFK-FZMZJTMJSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573392189 947944190 /nfs/dbraw/zinc/94/41/90/947944190.db2.gz VZFREGVWUMIQFK-FZMZJTMJSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573392410 947947376 /nfs/dbraw/zinc/94/73/76/947947376.db2.gz AQTWFHYRHOKEPK-UHFFFAOYSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573392410 947947384 /nfs/dbraw/zinc/94/73/84/947947384.db2.gz AQTWFHYRHOKEPK-UHFFFAOYSA-N -1 1 387.448 0.094 20 0 GCADMM Cc1nc(CN2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)cs1 ZINC000826326045 947952894 /nfs/dbraw/zinc/95/28/94/947952894.db2.gz XBGBTSMAAUJVDF-UHFFFAOYSA-N -1 1 388.457 0.815 20 0 GCADMM Cc1nc(CN2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)cs1 ZINC000826326045 947952899 /nfs/dbraw/zinc/95/28/99/947952899.db2.gz XBGBTSMAAUJVDF-UHFFFAOYSA-N -1 1 388.457 0.815 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573392886 947952993 /nfs/dbraw/zinc/95/29/93/947952993.db2.gz HKWPWDHRJMYYQF-SMDDNHRTSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573392886 947953001 /nfs/dbraw/zinc/95/30/01/947953001.db2.gz HKWPWDHRJMYYQF-SMDDNHRTSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573393405 947956063 /nfs/dbraw/zinc/95/60/63/947956063.db2.gz LQRSLUNSSBEGMU-DGCLKSJQSA-N -1 1 387.448 0.235 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573393405 947956067 /nfs/dbraw/zinc/95/60/67/947956067.db2.gz LQRSLUNSSBEGMU-DGCLKSJQSA-N -1 1 387.448 0.235 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cncn1 ZINC001573653969 947961286 /nfs/dbraw/zinc/96/12/86/947961286.db2.gz OWLFWDOCJHJTOJ-ZYHUDNBSSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cncn1 ZINC001573653969 947961291 /nfs/dbraw/zinc/96/12/91/947961291.db2.gz OWLFWDOCJHJTOJ-ZYHUDNBSSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573394354 947962211 /nfs/dbraw/zinc/96/22/11/947962211.db2.gz SIQYMURDANEAHD-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573394354 947962218 /nfs/dbraw/zinc/96/22/18/947962218.db2.gz SIQYMURDANEAHD-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573394339 947962878 /nfs/dbraw/zinc/96/28/78/947962878.db2.gz SIQYMURDANEAHD-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573394339 947962884 /nfs/dbraw/zinc/96/28/84/947962884.db2.gz SIQYMURDANEAHD-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)n1cccn1 ZINC001573654241 947963280 /nfs/dbraw/zinc/96/32/80/947963280.db2.gz QCYYICSPVHAZNO-NWDGAFQWSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)n1cccn1 ZINC001573654242 947963713 /nfs/dbraw/zinc/96/37/13/947963713.db2.gz QCYYICSPVHAZNO-RYUDHWBXSA-N -1 1 384.448 0.479 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573394766 947966552 /nfs/dbraw/zinc/96/65/52/947966552.db2.gz VWPOGFJNIAGZEG-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573394766 947966556 /nfs/dbraw/zinc/96/65/56/947966556.db2.gz VWPOGFJNIAGZEG-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573654655 947968539 /nfs/dbraw/zinc/96/85/39/947968539.db2.gz SESGCTKQBQYEIO-RTHLEPHNSA-N -1 1 384.366 0.974 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573397801 947974501 /nfs/dbraw/zinc/97/45/01/947974501.db2.gz DHYUGUAJHNVRDO-VHSXEESVSA-N -1 1 375.437 0.139 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573397801 947974507 /nfs/dbraw/zinc/97/45/07/947974507.db2.gz DHYUGUAJHNVRDO-VHSXEESVSA-N -1 1 375.437 0.139 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001573655389 947977358 /nfs/dbraw/zinc/97/73/58/947977358.db2.gz XDPRRTIMCGLVNU-DIFFPNOSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001573655389 947977366 /nfs/dbraw/zinc/97/73/66/947977366.db2.gz XDPRRTIMCGLVNU-DIFFPNOSSA-N -1 1 382.432 0.811 20 0 GCADMM CC(=O)N(C)CC(=O)NC1(C)CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573398220 947980775 /nfs/dbraw/zinc/98/07/75/947980775.db2.gz IUXZDULFZOLDIV-UHFFFAOYSA-N -1 1 392.489 0.585 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573398565 947984935 /nfs/dbraw/zinc/98/49/35/947984935.db2.gz MZYMFSQUOUUYAZ-MRXNPFEDSA-N -1 1 392.489 0.807 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826343075 947985456 /nfs/dbraw/zinc/98/54/56/947985456.db2.gz LHZHBKQXGBTMRD-AWEZNQCLSA-N -1 1 381.396 0.970 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826343075 947985461 /nfs/dbraw/zinc/98/54/61/947985461.db2.gz LHZHBKQXGBTMRD-AWEZNQCLSA-N -1 1 381.396 0.970 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826343285 947988467 /nfs/dbraw/zinc/98/84/67/947988467.db2.gz UOLVJXCMSWVGIB-RYUDHWBXSA-N -1 1 382.446 0.520 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826343285 947988475 /nfs/dbraw/zinc/98/84/75/947988475.db2.gz UOLVJXCMSWVGIB-RYUDHWBXSA-N -1 1 382.446 0.520 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826343286 947989418 /nfs/dbraw/zinc/98/94/18/947989418.db2.gz UOLVJXCMSWVGIB-VXGBXAGGSA-N -1 1 382.446 0.520 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826343286 947989421 /nfs/dbraw/zinc/98/94/21/947989421.db2.gz UOLVJXCMSWVGIB-VXGBXAGGSA-N -1 1 382.446 0.520 20 0 GCADMM Cc1onc(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826343601 947993550 /nfs/dbraw/zinc/99/35/50/947993550.db2.gz HNUAFAVBZQPFFR-JTQLQIEISA-N -1 1 377.405 0.831 20 0 GCADMM Cc1onc(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826343601 947993553 /nfs/dbraw/zinc/99/35/53/947993553.db2.gz HNUAFAVBZQPFFR-JTQLQIEISA-N -1 1 377.405 0.831 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573399641 947994387 /nfs/dbraw/zinc/99/43/87/947994387.db2.gz YBOPIEBLYNSCQB-ZDUSSCGKSA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573399641 947994392 /nfs/dbraw/zinc/99/43/92/947994392.db2.gz YBOPIEBLYNSCQB-ZDUSSCGKSA-N -1 1 389.464 0.386 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573656824 947995226 /nfs/dbraw/zinc/99/52/26/947995226.db2.gz IKVALIRKIPNLGV-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573656824 947995230 /nfs/dbraw/zinc/99/52/30/947995230.db2.gz IKVALIRKIPNLGV-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573657115 947996079 /nfs/dbraw/zinc/99/60/79/947996079.db2.gz KUJIYSAZRDRBOJ-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573657115 947996082 /nfs/dbraw/zinc/99/60/82/947996082.db2.gz KUJIYSAZRDRBOJ-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573657389 948000196 /nfs/dbraw/zinc/00/01/96/948000196.db2.gz NKXVBFNTJONSTA-KZULUSFZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573657389 948000202 /nfs/dbraw/zinc/00/02/02/948000202.db2.gz NKXVBFNTJONSTA-KZULUSFZSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573402800 948004470 /nfs/dbraw/zinc/00/44/70/948004470.db2.gz IOWVYAYVYSKCRV-SSDOTTSWSA-N -1 1 386.869 0.619 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001573657981 948005521 /nfs/dbraw/zinc/00/55/21/948005521.db2.gz QGRHXEJEWJNATO-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001573657981 948005527 /nfs/dbraw/zinc/00/55/27/948005527.db2.gz QGRHXEJEWJNATO-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826344454 948007041 /nfs/dbraw/zinc/00/70/41/948007041.db2.gz IROAAUKPTFUFEY-LBPRGKRZSA-N -1 1 384.400 0.703 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826344454 948007048 /nfs/dbraw/zinc/00/70/48/948007048.db2.gz IROAAUKPTFUFEY-LBPRGKRZSA-N -1 1 384.400 0.703 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826344362 948007154 /nfs/dbraw/zinc/00/71/54/948007154.db2.gz FXUJIHBWIRYUAS-UHFFFAOYSA-N -1 1 387.444 0.957 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826344362 948007164 /nfs/dbraw/zinc/00/71/64/948007164.db2.gz FXUJIHBWIRYUAS-UHFFFAOYSA-N -1 1 387.444 0.957 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573658636 948009858 /nfs/dbraw/zinc/00/98/58/948009858.db2.gz SOXOEXORKJKNPS-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826344559 948010163 /nfs/dbraw/zinc/01/01/63/948010163.db2.gz KZWVVRFMBZFIII-INIZCTEOSA-N -1 1 397.439 0.583 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826344560 948010200 /nfs/dbraw/zinc/01/02/00/948010200.db2.gz KZWVVRFMBZFIII-MRXNPFEDSA-N -1 1 397.439 0.583 20 0 GCADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cccn1 ZINC001573658912 948011063 /nfs/dbraw/zinc/01/10/63/948011063.db2.gz UEZGSHQJNLHCFQ-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cccn1 ZINC001573658912 948011073 /nfs/dbraw/zinc/01/10/73/948011073.db2.gz UEZGSHQJNLHCFQ-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573403474 948011183 /nfs/dbraw/zinc/01/11/83/948011183.db2.gz NDSOBELHAUPYJQ-RYUDHWBXSA-N -1 1 392.489 0.949 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)c1-c1nnn[n-]1 ZINC000826344726 948012583 /nfs/dbraw/zinc/01/25/83/948012583.db2.gz QOWPBLAPICYCOW-LBPRGKRZSA-N -1 1 396.411 0.978 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)c1-c1nn[n-]n1 ZINC000826344726 948012594 /nfs/dbraw/zinc/01/25/94/948012594.db2.gz QOWPBLAPICYCOW-LBPRGKRZSA-N -1 1 396.411 0.978 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573403727 948013050 /nfs/dbraw/zinc/01/30/50/948013050.db2.gz NZXCLPYTYZMFAM-BXKDBHETSA-N -1 1 392.489 0.583 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573403812 948013989 /nfs/dbraw/zinc/01/39/89/948013989.db2.gz OPINOMHXDYHQCR-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573404128 948014782 /nfs/dbraw/zinc/01/47/82/948014782.db2.gz QCXTYMAFQXNAOP-CHWSQXEVSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573404128 948014789 /nfs/dbraw/zinc/01/47/89/948014789.db2.gz QCXTYMAFQXNAOP-CHWSQXEVSA-N -1 1 387.448 0.140 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C3=NC[C@H](C)S3)CC2)c1-c1nnn[n-]1 ZINC000826344784 948015278 /nfs/dbraw/zinc/01/52/78/948015278.db2.gz ROQUGAYCNVZNMO-VIFPVBQESA-N -1 1 376.446 0.341 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C3=NC[C@H](C)S3)CC2)c1-c1nn[n-]n1 ZINC000826344784 948015285 /nfs/dbraw/zinc/01/52/85/948015285.db2.gz ROQUGAYCNVZNMO-VIFPVBQESA-N -1 1 376.446 0.341 20 0 GCADMM Cc1onc(CC(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1-c1nnn[n-]1 ZINC000826344899 948016510 /nfs/dbraw/zinc/01/65/10/948016510.db2.gz WBQXFNDHSHTTNF-UHFFFAOYSA-N -1 1 391.329 0.750 20 0 GCADMM Cc1onc(CC(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1-c1nn[n-]n1 ZINC000826344899 948016519 /nfs/dbraw/zinc/01/65/19/948016519.db2.gz WBQXFNDHSHTTNF-UHFFFAOYSA-N -1 1 391.329 0.750 20 0 GCADMM CC(=O)N(C)CC(=O)NC1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573404355 948023008 /nfs/dbraw/zinc/02/30/08/948023008.db2.gz SKFKSBJKDWXNTA-UHFFFAOYSA-N -1 1 392.489 0.949 20 0 GCADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)n1cncn1 ZINC001573663027 948029740 /nfs/dbraw/zinc/02/97/40/948029740.db2.gz IKNJFIUPPWCDLX-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)n1cncn1 ZINC001573663027 948029746 /nfs/dbraw/zinc/02/97/46/948029746.db2.gz IKNJFIUPPWCDLX-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM CC(=O)N(C)CC(=O)NCCC1(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573404659 948030979 /nfs/dbraw/zinc/03/09/79/948030979.db2.gz IUTNBICDKFTBHW-UHFFFAOYSA-N -1 1 392.489 0.808 20 0 GCADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826345862 948031300 /nfs/dbraw/zinc/03/13/00/948031300.db2.gz WGJPASQPAIMBJP-SECBINFHSA-N -1 1 390.425 0.987 20 0 GCADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826345862 948031306 /nfs/dbraw/zinc/03/13/06/948031306.db2.gz WGJPASQPAIMBJP-SECBINFHSA-N -1 1 390.425 0.987 20 0 GCADMM C[C@H](C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573663068 948031794 /nfs/dbraw/zinc/03/17/94/948031794.db2.gz IQNLQUIMSUXOKX-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573663068 948031804 /nfs/dbraw/zinc/03/18/04/948031804.db2.gz IQNLQUIMSUXOKX-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826346042 948035074 /nfs/dbraw/zinc/03/50/74/948035074.db2.gz BHPAGXHSNAIQLP-JTQLQIEISA-N -1 1 377.405 0.831 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826346042 948035084 /nfs/dbraw/zinc/03/50/84/948035084.db2.gz BHPAGXHSNAIQLP-JTQLQIEISA-N -1 1 377.405 0.831 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573405229 948040037 /nfs/dbraw/zinc/04/00/37/948040037.db2.gz ZZWMIXIHYQWQCF-VXGBXAGGSA-N -1 1 392.489 0.807 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)N2CCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826346720 948041973 /nfs/dbraw/zinc/04/19/73/948041973.db2.gz UKVLEGLNBOUFJJ-UHFFFAOYSA-N -1 1 381.396 0.801 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)N2CCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826346720 948041982 /nfs/dbraw/zinc/04/19/82/948041982.db2.gz UKVLEGLNBOUFJJ-UHFFFAOYSA-N -1 1 381.396 0.801 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573405723 948046215 /nfs/dbraw/zinc/04/62/15/948046215.db2.gz VBRKQOXJZLDRHN-ZDUSSCGKSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573405723 948046227 /nfs/dbraw/zinc/04/62/27/948046227.db2.gz VBRKQOXJZLDRHN-ZDUSSCGKSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573406430 948054140 /nfs/dbraw/zinc/05/41/40/948054140.db2.gz IATCOWUJNHBEMI-JOCQHMNTSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573406430 948054147 /nfs/dbraw/zinc/05/41/47/948054147.db2.gz IATCOWUJNHBEMI-JOCQHMNTSA-N -1 1 387.448 0.222 20 0 GCADMM Cc1onc(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1-c1nn[n-]n1 ZINC000826347654 948059265 /nfs/dbraw/zinc/05/92/65/948059265.db2.gz YWRGHHHDHXNRBZ-INIZCTEOSA-N -1 1 393.473 0.030 20 0 GCADMM Cc1onc(CC(=O)NCCc2cccc(C(=O)N(C)C)c2)c1-c1nnn[n-]1 ZINC000826347833 948061392 /nfs/dbraw/zinc/06/13/92/948061392.db2.gz IBMUTLFINWKEFB-UHFFFAOYSA-N -1 1 383.412 0.766 20 0 GCADMM Cc1onc(CC(=O)NCCc2cccc(C(=O)N(C)C)c2)c1-c1nn[n-]n1 ZINC000826347833 948061403 /nfs/dbraw/zinc/06/14/03/948061403.db2.gz IBMUTLFINWKEFB-UHFFFAOYSA-N -1 1 383.412 0.766 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573665434 948071701 /nfs/dbraw/zinc/07/17/01/948071701.db2.gz KUQRKFRKBBVHMX-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573665434 948071709 /nfs/dbraw/zinc/07/17/09/948071709.db2.gz KUQRKFRKBBVHMX-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573665437 948072012 /nfs/dbraw/zinc/07/20/12/948072012.db2.gz KUQRKFRKBBVHMX-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573665437 948072024 /nfs/dbraw/zinc/07/20/24/948072024.db2.gz KUQRKFRKBBVHMX-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348521 948076049 /nfs/dbraw/zinc/07/60/49/948076049.db2.gz QIRUPLRBAKVGQI-UHFFFAOYSA-N -1 1 396.367 0.396 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348521 948076056 /nfs/dbraw/zinc/07/60/56/948076056.db2.gz QIRUPLRBAKVGQI-UHFFFAOYSA-N -1 1 396.367 0.396 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573666039 948079230 /nfs/dbraw/zinc/07/92/30/948079230.db2.gz PDUDLVUFVLBUJD-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573666039 948079237 /nfs/dbraw/zinc/07/92/37/948079237.db2.gz PDUDLVUFVLBUJD-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001573414464 948092498 /nfs/dbraw/zinc/09/24/98/948092498.db2.gz MOZOJSJIUBEMMS-UFBFGSQYSA-N -1 1 390.473 0.511 20 0 GCADMM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573414461 948093002 /nfs/dbraw/zinc/09/30/02/948093002.db2.gz MOZOJSJIUBEMMS-PELKAZGASA-N -1 1 390.473 0.511 20 0 GCADMM CC(=O)N(C)c1ccccc1C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573414268 948093556 /nfs/dbraw/zinc/09/35/56/948093556.db2.gz JOFCLWBDTOOCFI-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)N(C)c1ccccc1C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573414268 948093567 /nfs/dbraw/zinc/09/35/67/948093567.db2.gz JOFCLWBDTOOCFI-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573667396 948098880 /nfs/dbraw/zinc/09/88/80/948098880.db2.gz ZELYPQNYIOCCQM-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573667396 948098886 /nfs/dbraw/zinc/09/88/86/948098886.db2.gz ZELYPQNYIOCCQM-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N1CC(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)C1 ZINC001573415150 948101260 /nfs/dbraw/zinc/10/12/60/948101260.db2.gz UPPYLQTUVPNUCI-UHFFFAOYSA-N -1 1 375.458 0.051 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000826356917 948110191 /nfs/dbraw/zinc/11/01/91/948110191.db2.gz KTXNEALCMYDNSI-JTQLQIEISA-N -1 1 383.420 0.938 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000826356917 948110196 /nfs/dbraw/zinc/11/01/96/948110196.db2.gz KTXNEALCMYDNSI-JTQLQIEISA-N -1 1 383.420 0.938 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573418280 948117474 /nfs/dbraw/zinc/11/74/74/948117474.db2.gz FUKLVWGYMFQOKU-SFYZADRCSA-N -1 1 378.462 0.415 20 0 GCADMM Cn1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(-c2ccccc2)n1 ZINC000826361878 948133654 /nfs/dbraw/zinc/13/36/54/948133654.db2.gz TUNWFJNXGAWPRN-UHFFFAOYSA-N -1 1 393.411 0.277 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H](C)Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573420190 948134475 /nfs/dbraw/zinc/13/44/75/948134475.db2.gz YUTNVHZFJPUFDE-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001573678986 948157273 /nfs/dbraw/zinc/15/72/73/948157273.db2.gz HDFZGNPNGKHRQI-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001573678986 948157278 /nfs/dbraw/zinc/15/72/78/948157278.db2.gz HDFZGNPNGKHRQI-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573431469 948179789 /nfs/dbraw/zinc/17/97/89/948179789.db2.gz VTQRKKXANCPYST-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573431469 948179794 /nfs/dbraw/zinc/17/97/94/948179794.db2.gz VTQRKKXANCPYST-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cnn(C)c1 ZINC001573680665 948184614 /nfs/dbraw/zinc/18/46/14/948184614.db2.gz PDDGTULLRVSDGO-ZWNOBZJWSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cnn(C)c1 ZINC001573680665 948184617 /nfs/dbraw/zinc/18/46/17/948184617.db2.gz PDDGTULLRVSDGO-ZWNOBZJWSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cnn(C)c1 ZINC001573680801 948187932 /nfs/dbraw/zinc/18/79/32/948187932.db2.gz PYLKQALHXDKKQU-GXFFZTMASA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573680801 948187940 /nfs/dbraw/zinc/18/79/40/948187940.db2.gz PYLKQALHXDKKQU-GXFFZTMASA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573681197 948196827 /nfs/dbraw/zinc/19/68/27/948196827.db2.gz SSXASBIWENJSGF-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573681197 948196834 /nfs/dbraw/zinc/19/68/34/948196834.db2.gz SSXASBIWENJSGF-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573434141 948207480 /nfs/dbraw/zinc/20/74/80/948207480.db2.gz OERCALNPHXXJMM-DIFFPNOSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573434141 948207491 /nfs/dbraw/zinc/20/74/91/948207491.db2.gz OERCALNPHXXJMM-DIFFPNOSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434664 948217616 /nfs/dbraw/zinc/21/76/16/948217616.db2.gz SEEMARVXJLIYRO-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434664 948217625 /nfs/dbraw/zinc/21/76/25/948217625.db2.gz SEEMARVXJLIYRO-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573681968 948218743 /nfs/dbraw/zinc/21/87/43/948218743.db2.gz ZQGHOGZEFXUXKR-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573681968 948218753 /nfs/dbraw/zinc/21/87/53/948218753.db2.gz ZQGHOGZEFXUXKR-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573435225 948226362 /nfs/dbraw/zinc/22/63/62/948226362.db2.gz UXPYXKXVOQSEIJ-ABKXIKBNSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573435495 948229851 /nfs/dbraw/zinc/22/98/51/948229851.db2.gz XPVBGMYISSXIKD-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573435495 948229857 /nfs/dbraw/zinc/22/98/57/948229857.db2.gz XPVBGMYISSXIKD-GTNSWQLSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573435494 948231135 /nfs/dbraw/zinc/23/11/35/948231135.db2.gz XPVBGMYISSXIKD-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573435494 948231143 /nfs/dbraw/zinc/23/11/43/948231143.db2.gz XPVBGMYISSXIKD-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cccn1 ZINC001573691116 948237704 /nfs/dbraw/zinc/23/77/04/948237704.db2.gz DCJIDUYLDUSRNP-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cccn1 ZINC001573691116 948237711 /nfs/dbraw/zinc/23/77/11/948237711.db2.gz DCJIDUYLDUSRNP-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439012 948242750 /nfs/dbraw/zinc/24/27/50/948242750.db2.gz IBFZBQLDBISHEN-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439012 948242760 /nfs/dbraw/zinc/24/27/60/948242760.db2.gz IBFZBQLDBISHEN-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439907 948257067 /nfs/dbraw/zinc/25/70/67/948257067.db2.gz VTOIWBGNBQOVOI-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439907 948257077 /nfs/dbraw/zinc/25/70/77/948257077.db2.gz VTOIWBGNBQOVOI-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439973 948258088 /nfs/dbraw/zinc/25/80/88/948258088.db2.gz XOWSRLYIBFNSIX-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439973 948258096 /nfs/dbraw/zinc/25/80/96/948258096.db2.gz XOWSRLYIBFNSIX-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1cnn(C)c1 ZINC001573692448 948264387 /nfs/dbraw/zinc/26/43/87/948264387.db2.gz PSZXESGZJCZMLC-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1cnn(C)c1 ZINC001573692448 948264392 /nfs/dbraw/zinc/26/43/92/948264392.db2.gz PSZXESGZJCZMLC-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573441770 948276166 /nfs/dbraw/zinc/27/61/66/948276166.db2.gz AWRGETCAAOFSBR-WCQYABFASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573441770 948276173 /nfs/dbraw/zinc/27/61/73/948276173.db2.gz AWRGETCAAOFSBR-WCQYABFASA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573441967 948282349 /nfs/dbraw/zinc/28/23/49/948282349.db2.gz DIQUVQAPJSRJIB-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573441967 948282361 /nfs/dbraw/zinc/28/23/61/948282361.db2.gz DIQUVQAPJSRJIB-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573442268 948288999 /nfs/dbraw/zinc/28/89/99/948288999.db2.gz UWOFCCOKAAKALE-GFCCVEGCSA-N -1 1 392.489 0.951 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001573693878 948289757 /nfs/dbraw/zinc/28/97/57/948289757.db2.gz UYELNETVZOPXAK-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001573693878 948289768 /nfs/dbraw/zinc/28/97/68/948289768.db2.gz UYELNETVZOPXAK-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573694441 948293060 /nfs/dbraw/zinc/29/30/60/948293060.db2.gz VQBBXZOTSTWXOC-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(=O)N1CCC[C@H](n2cc(CNc3nc(C)cc(-c4nnn[n-]4)n3)nn2)C1 ZINC001573442651 948297279 /nfs/dbraw/zinc/29/72/79/948297279.db2.gz JMBIULZFZCENPS-ZDUSSCGKSA-N -1 1 383.420 0.352 20 0 GCADMM CC(=O)N1CCC[C@H](n2cc(CNc3nc(C)cc(-c4nn[n-]n4)n3)nn2)C1 ZINC001573442651 948297285 /nfs/dbraw/zinc/29/72/85/948297285.db2.gz JMBIULZFZCENPS-ZDUSSCGKSA-N -1 1 383.420 0.352 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573442943 948299630 /nfs/dbraw/zinc/29/96/30/948299630.db2.gz KMOBMXZQOMKGGB-BXKDBHETSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573695012 948300433 /nfs/dbraw/zinc/30/04/33/948300433.db2.gz WMGAJHHKSXDNME-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573695012 948300442 /nfs/dbraw/zinc/30/04/42/948300442.db2.gz WMGAJHHKSXDNME-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1cnn(C)c1 ZINC001573695533 948305176 /nfs/dbraw/zinc/30/51/76/948305176.db2.gz GQYIMRYJGSGARI-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1cnn(C)c1 ZINC001573695533 948305184 /nfs/dbraw/zinc/30/51/84/948305184.db2.gz GQYIMRYJGSGARI-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573696181 948318022 /nfs/dbraw/zinc/31/80/22/948318022.db2.gz LUWOPONWKPKRHM-PSLIRLAXSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573696181 948318029 /nfs/dbraw/zinc/31/80/29/948318029.db2.gz LUWOPONWKPKRHM-PSLIRLAXSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573444858 948319160 /nfs/dbraw/zinc/31/91/60/948319160.db2.gz WNFIGALKQJTIIL-YPMHNXCESA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573444858 948319163 /nfs/dbraw/zinc/31/91/63/948319163.db2.gz WNFIGALKQJTIIL-YPMHNXCESA-N -1 1 387.448 0.079 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573696208 948320776 /nfs/dbraw/zinc/32/07/76/948320776.db2.gz MCCMTTRXJLWPNU-APPDUMDISA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573696352 948323889 /nfs/dbraw/zinc/32/38/89/948323889.db2.gz OLWGYSFXHVRUGF-BJOHPYRUSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573696352 948323897 /nfs/dbraw/zinc/32/38/97/948323897.db2.gz OLWGYSFXHVRUGF-BJOHPYRUSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573446173 948324576 /nfs/dbraw/zinc/32/45/76/948324576.db2.gz ABJLCFBWDTVCHA-SMDDNHRTSA-N -1 1 387.448 0.235 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573446173 948324585 /nfs/dbraw/zinc/32/45/85/948324585.db2.gz ABJLCFBWDTVCHA-SMDDNHRTSA-N -1 1 387.448 0.235 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573696543 948327991 /nfs/dbraw/zinc/32/79/91/948327991.db2.gz RVVVMLPIGXZRBP-MNOVXSKESA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573696543 948328000 /nfs/dbraw/zinc/32/80/00/948328000.db2.gz RVVVMLPIGXZRBP-MNOVXSKESA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573696739 948331855 /nfs/dbraw/zinc/33/18/55/948331855.db2.gz WPIWXUYVAALCFN-VFZGTOFNSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573696739 948331859 /nfs/dbraw/zinc/33/18/59/948331859.db2.gz WPIWXUYVAALCFN-VFZGTOFNSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001573696735 948332836 /nfs/dbraw/zinc/33/28/36/948332836.db2.gz WOWBBEUPAXKFGT-XDQVBPFNSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573696829 948333660 /nfs/dbraw/zinc/33/36/60/948333660.db2.gz XPWFGQAGXQCQGT-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573446904 948338528 /nfs/dbraw/zinc/33/85/28/948338528.db2.gz RKWGAVCNDDGMTO-BXKDBHETSA-N -1 1 392.489 0.583 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573702546 948346741 /nfs/dbraw/zinc/34/67/41/948346741.db2.gz FCTDKXJMVZEZSO-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573702546 948346746 /nfs/dbraw/zinc/34/67/46/948346746.db2.gz FCTDKXJMVZEZSO-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573702545 948347190 /nfs/dbraw/zinc/34/71/90/948347190.db2.gz FCTDKXJMVZEZSO-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573702545 948347196 /nfs/dbraw/zinc/34/71/96/948347196.db2.gz FCTDKXJMVZEZSO-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573703419 948354673 /nfs/dbraw/zinc/35/46/73/948354673.db2.gz JYUJDTUEEOIDBS-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573703419 948354681 /nfs/dbraw/zinc/35/46/81/948354681.db2.gz JYUJDTUEEOIDBS-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573704108 948365651 /nfs/dbraw/zinc/36/56/51/948365651.db2.gz PASBZOCXOHXKGM-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573704108 948365658 /nfs/dbraw/zinc/36/56/58/948365658.db2.gz PASBZOCXOHXKGM-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573704175 948366738 /nfs/dbraw/zinc/36/67/38/948366738.db2.gz QBENVBHDINHHHD-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573704175 948366742 /nfs/dbraw/zinc/36/67/42/948366742.db2.gz QBENVBHDINHHHD-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573705025 948389756 /nfs/dbraw/zinc/38/97/56/948389756.db2.gz VEFFPATZVABKDY-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)c1ccco1 ZINC001573705535 948402950 /nfs/dbraw/zinc/40/29/50/948402950.db2.gz FWUQUKHJLGSWNG-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)c1ccco1 ZINC001573705535 948402956 /nfs/dbraw/zinc/40/29/56/948402956.db2.gz FWUQUKHJLGSWNG-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573705686 948405508 /nfs/dbraw/zinc/40/55/08/948405508.db2.gz IUBWMOHRTLAOMB-VXGBXAGGSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573705686 948405512 /nfs/dbraw/zinc/40/55/12/948405512.db2.gz IUBWMOHRTLAOMB-VXGBXAGGSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573706100 948412122 /nfs/dbraw/zinc/41/21/22/948412122.db2.gz JQTOYPCBBWJCTK-RYUDHWBXSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573706100 948412128 /nfs/dbraw/zinc/41/21/28/948412128.db2.gz JQTOYPCBBWJCTK-RYUDHWBXSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCCC1 ZINC001573706403 948418645 /nfs/dbraw/zinc/41/86/45/948418645.db2.gz IYHHAGLSSCAQTF-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573707087 948428631 /nfs/dbraw/zinc/42/86/31/948428631.db2.gz MGBNDJVLUOXATC-NSHDSACASA-N -1 1 383.420 0.208 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573707087 948428636 /nfs/dbraw/zinc/42/86/36/948428636.db2.gz MGBNDJVLUOXATC-NSHDSACASA-N -1 1 383.420 0.208 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(F)(F)F ZINC001573707464 948434231 /nfs/dbraw/zinc/43/42/31/948434231.db2.gz NUUYMQVRUVVGRO-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(F)(F)F ZINC001573707464 948434237 /nfs/dbraw/zinc/43/42/37/948434237.db2.gz NUUYMQVRUVVGRO-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573707749 948437676 /nfs/dbraw/zinc/43/76/76/948437676.db2.gz PJHGBYLQGALGOD-CYBMUJFWSA-N -1 1 381.444 0.840 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573707882 948438641 /nfs/dbraw/zinc/43/86/41/948438641.db2.gz QWZJVMMYLJBWBA-WFASDCNBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573707882 948438649 /nfs/dbraw/zinc/43/86/49/948438649.db2.gz QWZJVMMYLJBWBA-WFASDCNBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573707874 948439921 /nfs/dbraw/zinc/43/99/21/948439921.db2.gz QWZJVMMYLJBWBA-DOMZBBRYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573707874 948439922 /nfs/dbraw/zinc/43/99/22/948439922.db2.gz QWZJVMMYLJBWBA-DOMZBBRYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573708263 948447085 /nfs/dbraw/zinc/44/70/85/948447085.db2.gz SHMJWGNTJDYPID-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573708263 948447087 /nfs/dbraw/zinc/44/70/87/948447087.db2.gz SHMJWGNTJDYPID-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573708801 948459995 /nfs/dbraw/zinc/45/99/95/948459995.db2.gz XWORMZPDRATXCF-DOMZBBRYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573708801 948459999 /nfs/dbraw/zinc/45/99/99/948459999.db2.gz XWORMZPDRATXCF-DOMZBBRYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573720990 948536770 /nfs/dbraw/zinc/53/67/70/948536770.db2.gz UGTOPAXJUSGIOK-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573720990 948536775 /nfs/dbraw/zinc/53/67/75/948536775.db2.gz UGTOPAXJUSGIOK-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573721039 948537556 /nfs/dbraw/zinc/53/75/56/948537556.db2.gz VPGNYMHWWZXZPP-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)n1cccn1 ZINC001573721584 948541587 /nfs/dbraw/zinc/54/15/87/948541587.db2.gz YSYRRQOWAXOIKQ-QMMMGPOBSA-N -1 1 381.853 0.987 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)n1cccn1 ZINC001573721584 948541589 /nfs/dbraw/zinc/54/15/89/948541589.db2.gz YSYRRQOWAXOIKQ-QMMMGPOBSA-N -1 1 381.853 0.987 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccc1 ZINC001573726232 948547523 /nfs/dbraw/zinc/54/75/23/948547523.db2.gz GIVZSEBJZGLDSR-MGPQQGTHSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccc1 ZINC001573726232 948547524 /nfs/dbraw/zinc/54/75/24/948547524.db2.gz GIVZSEBJZGLDSR-MGPQQGTHSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccn1 ZINC001573726320 948550120 /nfs/dbraw/zinc/55/01/20/948550120.db2.gz IBIXLSIEXQDNFE-FRRDWIJNSA-N -1 1 382.432 0.303 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573728137 948559614 /nfs/dbraw/zinc/55/96/14/948559614.db2.gz PITISENWWHDIEH-GARJFASQSA-N -1 1 391.436 0.439 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573729852 948571910 /nfs/dbraw/zinc/57/19/10/948571910.db2.gz VKKSOTZWBKTPJT-GRYCIOLGSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573729852 948571916 /nfs/dbraw/zinc/57/19/16/948571916.db2.gz VKKSOTZWBKTPJT-GRYCIOLGSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)NCc1nc(Cc2ccccc2F)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001573731716 948594085 /nfs/dbraw/zinc/59/40/85/948594085.db2.gz XYOXOHHXEQMYAN-SECBINFHSA-N -1 1 398.362 0.449 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573736250 948613997 /nfs/dbraw/zinc/61/39/97/948613997.db2.gz KUCQFKBTMDAGDA-QJPTWQEYSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573736250 948614002 /nfs/dbraw/zinc/61/40/02/948614002.db2.gz KUCQFKBTMDAGDA-QJPTWQEYSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O)n1cnc(-c2nn[n-]n2)n1 ZINC001573739561 948620791 /nfs/dbraw/zinc/62/07/91/948620791.db2.gz FNYZUKNYIIBGMD-NMLBEHRDSA-N -1 1 390.429 0.470 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1ccsc1 ZINC001573740368 948632958 /nfs/dbraw/zinc/63/29/58/948632958.db2.gz JLZDFPUEGVOQLQ-OASPWFOLSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1ccsc1 ZINC001573740368 948632965 /nfs/dbraw/zinc/63/29/65/948632965.db2.gz JLZDFPUEGVOQLQ-OASPWFOLSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573740404 948634056 /nfs/dbraw/zinc/63/40/56/948634056.db2.gz OBXTVWXJFROJCU-RKDXNWHRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573740404 948634058 /nfs/dbraw/zinc/63/40/58/948634058.db2.gz OBXTVWXJFROJCU-RKDXNWHRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1cnn(C)c1 ZINC001573740541 948638396 /nfs/dbraw/zinc/63/83/96/948638396.db2.gz LHFSRGNFCUAOOM-JTNHKYCSSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1cnn(C)c1 ZINC001573740541 948638403 /nfs/dbraw/zinc/63/84/03/948638403.db2.gz LHFSRGNFCUAOOM-JTNHKYCSSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573740990 948647062 /nfs/dbraw/zinc/64/70/62/948647062.db2.gz VXOGYKBQXYPUQN-SFTQSGBHSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573740990 948647066 /nfs/dbraw/zinc/64/70/66/948647066.db2.gz VXOGYKBQXYPUQN-SFTQSGBHSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1cccs1 ZINC001573741146 948651488 /nfs/dbraw/zinc/65/14/88/948651488.db2.gz TVBJNDXTTAYJLX-MVWJERBFSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1cccs1 ZINC001573741146 948651493 /nfs/dbraw/zinc/65/14/93/948651493.db2.gz TVBJNDXTTAYJLX-MVWJERBFSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1cccnc1 ZINC001573745043 948667851 /nfs/dbraw/zinc/66/78/51/948667851.db2.gz AFHWAONEVSSYGQ-BZPMIXESSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1cccnc1 ZINC001573745043 948667857 /nfs/dbraw/zinc/66/78/57/948667857.db2.gz AFHWAONEVSSYGQ-BZPMIXESSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573743153 948667869 /nfs/dbraw/zinc/66/78/69/948667869.db2.gz ZEUFJISNJHWKFF-BDAKNGLRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573743153 948667873 /nfs/dbraw/zinc/66/78/73/948667873.db2.gz ZEUFJISNJHWKFF-BDAKNGLRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573745544 948672667 /nfs/dbraw/zinc/67/26/67/948672667.db2.gz DRZKYZNINQGLCD-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573745544 948672671 /nfs/dbraw/zinc/67/26/71/948672671.db2.gz DRZKYZNINQGLCD-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM CC(C)c1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001574416160 948745127 /nfs/dbraw/zinc/74/51/27/948745127.db2.gz PZUBLHAUFLRZBO-UHFFFAOYSA-N -1 1 379.428 0.972 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nnc2ccccc2n1 ZINC001574678458 948748474 /nfs/dbraw/zinc/74/84/74/948748474.db2.gz GAAPMWAUXNSXCY-SNVBAGLBSA-N -1 1 391.399 0.615 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nnc2ccccc2n1 ZINC001574678458 948748478 /nfs/dbraw/zinc/74/84/78/948748478.db2.gz GAAPMWAUXNSXCY-SNVBAGLBSA-N -1 1 391.399 0.615 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574678496 948751654 /nfs/dbraw/zinc/75/16/54/948751654.db2.gz GFHPMNCAPIYGJJ-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574678496 948751660 /nfs/dbraw/zinc/75/16/60/948751660.db2.gz GFHPMNCAPIYGJJ-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001574416603 948752513 /nfs/dbraw/zinc/75/25/13/948752513.db2.gz ZHLSSCVWYDRGKA-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001574416603 948752521 /nfs/dbraw/zinc/75/25/21/948752521.db2.gz ZHLSSCVWYDRGKA-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c(C2CC2)cnn1C ZINC001574678603 948753397 /nfs/dbraw/zinc/75/33/97/948753397.db2.gz HHRUVOKYMKNLTI-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c(C2CC2)cnn1C ZINC001574678603 948753408 /nfs/dbraw/zinc/75/34/08/948753408.db2.gz HHRUVOKYMKNLTI-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574416726 948758519 /nfs/dbraw/zinc/75/85/19/948758519.db2.gz FMIDMCXQEDFEFJ-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574416726 948758527 /nfs/dbraw/zinc/75/85/27/948758527.db2.gz FMIDMCXQEDFEFJ-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574679135 948765255 /nfs/dbraw/zinc/76/52/55/948765255.db2.gz OJWNFLUKMGARLB-WDEREUQCSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574679135 948765270 /nfs/dbraw/zinc/76/52/70/948765270.db2.gz OJWNFLUKMGARLB-WDEREUQCSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C(F)F)c1 ZINC001574679136 948766268 /nfs/dbraw/zinc/76/62/68/948766268.db2.gz OORQACVMHZFYPZ-MRVPVSSYSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C(F)F)c1 ZINC001574679136 948766275 /nfs/dbraw/zinc/76/62/75/948766275.db2.gz OORQACVMHZFYPZ-MRVPVSSYSA-N -1 1 378.347 0.869 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001574418182 948772409 /nfs/dbraw/zinc/77/24/09/948772409.db2.gz UZZDNEOGNMNYJZ-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001574418182 948772417 /nfs/dbraw/zinc/77/24/17/948772417.db2.gz UZZDNEOGNMNYJZ-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574679259 948774367 /nfs/dbraw/zinc/77/43/67/948774367.db2.gz RGMIXXZZNXOPFA-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574679259 948774371 /nfs/dbraw/zinc/77/43/71/948774371.db2.gz RGMIXXZZNXOPFA-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM C[C@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574915906 948774336 /nfs/dbraw/zinc/77/43/36/948774336.db2.gz YZWFLRFBQRFAKD-SNVBAGLBSA-N -1 1 388.382 0.906 20 0 GCADMM CC(C)c1cccc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001574418479 948777017 /nfs/dbraw/zinc/77/70/17/948777017.db2.gz WWVZTDLRLUMANK-UHFFFAOYSA-N -1 1 379.428 0.972 20 0 GCADMM CC(F)(F)CC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575224303 948780947 /nfs/dbraw/zinc/78/09/47/948780947.db2.gz MEJCWKAIWUAROK-NXEZZACHSA-N -1 1 378.387 0.963 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574679502 948784859 /nfs/dbraw/zinc/78/48/59/948784859.db2.gz WKXSSEIAJXURMT-GFCCVEGCSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574679502 948784866 /nfs/dbraw/zinc/78/48/66/948784866.db2.gz WKXSSEIAJXURMT-GFCCVEGCSA-N -1 1 384.448 0.984 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574679875 948793437 /nfs/dbraw/zinc/79/34/37/948793437.db2.gz AHFXXKYQVMGLGK-QJPTWQEYSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574679875 948793450 /nfs/dbraw/zinc/79/34/50/948793450.db2.gz AHFXXKYQVMGLGK-QJPTWQEYSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)Nc1ncc(F)cc1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573756138 948796943 /nfs/dbraw/zinc/79/69/43/948796943.db2.gz XTJWBYGJXDTPQG-RXMQYKEDSA-N -1 1 382.157 0.955 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575225179 948802640 /nfs/dbraw/zinc/80/26/40/948802640.db2.gz XNOODYYDXYADEC-JTQLQIEISA-N -1 1 382.375 0.153 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001575225382 948803549 /nfs/dbraw/zinc/80/35/49/948803549.db2.gz ZMROAFMFDAISOK-BMIGLBTASA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001575225382 948803567 /nfs/dbraw/zinc/80/35/67/948803567.db2.gz ZMROAFMFDAISOK-BMIGLBTASA-N -1 1 378.387 0.987 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn2c1CCCC2 ZINC001574680874 948809320 /nfs/dbraw/zinc/80/93/20/948809320.db2.gz JJTLKIAYGUGERH-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn2c1CCCC2 ZINC001574680874 948809342 /nfs/dbraw/zinc/80/93/42/948809342.db2.gz JJTLKIAYGUGERH-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001574680844 948809420 /nfs/dbraw/zinc/80/94/20/948809420.db2.gz ITRITIWQPBASDY-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001574680844 948809442 /nfs/dbraw/zinc/80/94/42/948809442.db2.gz ITRITIWQPBASDY-NWDGAFQWSA-N -1 1 382.432 0.423 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574421310 948812594 /nfs/dbraw/zinc/81/25/94/948812594.db2.gz IURZLYCLZTXUGX-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574421310 948812611 /nfs/dbraw/zinc/81/26/11/948812611.db2.gz IURZLYCLZTXUGX-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575226502 948818066 /nfs/dbraw/zinc/81/80/66/948818066.db2.gz MVJCPIBQHHCTPW-OAHLLOKOSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575226502 948818086 /nfs/dbraw/zinc/81/80/86/948818086.db2.gz MVJCPIBQHHCTPW-OAHLLOKOSA-N -1 1 382.375 0.467 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1noc2c1COCC2 ZINC001574681384 948819320 /nfs/dbraw/zinc/81/93/20/948819320.db2.gz MLLFZVCTQUQJNI-SECBINFHSA-N -1 1 385.388 0.338 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1noc2c1COCC2 ZINC001574681384 948819343 /nfs/dbraw/zinc/81/93/43/948819343.db2.gz MLLFZVCTQUQJNI-SECBINFHSA-N -1 1 385.388 0.338 20 0 GCADMM CC(C)c1ccoc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574421410 948820506 /nfs/dbraw/zinc/82/05/06/948820506.db2.gz KDFVKWIXYIPRGI-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM CC(C)c1ccoc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574421410 948820519 /nfs/dbraw/zinc/82/05/19/948820519.db2.gz KDFVKWIXYIPRGI-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C(N)=O)s1 ZINC001574681828 948821759 /nfs/dbraw/zinc/82/17/59/948821759.db2.gz OGWGXVYSOHGJJP-QMMMGPOBSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C(N)=O)s1 ZINC001574681828 948821774 /nfs/dbraw/zinc/82/17/74/948821774.db2.gz OGWGXVYSOHGJJP-QMMMGPOBSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574681728 948821957 /nfs/dbraw/zinc/82/19/57/948821957.db2.gz NIFLHWUDHYGURQ-AAEUAGOBSA-N -1 1 379.428 0.773 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574681728 948821974 /nfs/dbraw/zinc/82/19/74/948821974.db2.gz NIFLHWUDHYGURQ-AAEUAGOBSA-N -1 1 379.428 0.773 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574681821 948822153 /nfs/dbraw/zinc/82/21/53/948822153.db2.gz OGSARELZADRYTR-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574681821 948822169 /nfs/dbraw/zinc/82/21/69/948822169.db2.gz OGSARELZADRYTR-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574681731 948823698 /nfs/dbraw/zinc/82/36/98/948823698.db2.gz NIFLHWUDHYGURQ-YPMHNXCESA-N -1 1 379.428 0.773 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574681731 948823724 /nfs/dbraw/zinc/82/37/24/948823724.db2.gz NIFLHWUDHYGURQ-YPMHNXCESA-N -1 1 379.428 0.773 20 0 GCADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001574081322 948829024 /nfs/dbraw/zinc/82/90/24/948829024.db2.gz RZEOJRRPWCYXNM-GJMOJQLCSA-N -1 1 389.844 0.636 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575227703 948831653 /nfs/dbraw/zinc/83/16/53/948831653.db2.gz YLADZXPWXMFCFI-OAHLLOKOSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575227703 948831665 /nfs/dbraw/zinc/83/16/65/948831665.db2.gz YLADZXPWXMFCFI-OAHLLOKOSA-N -1 1 382.375 0.467 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1occ2c1CCOC2 ZINC001574683207 948842306 /nfs/dbraw/zinc/84/23/06/948842306.db2.gz VSVIXRKFTMEDLC-JTQLQIEISA-N -1 1 384.400 0.943 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1occ2c1CCOC2 ZINC001574683207 948842322 /nfs/dbraw/zinc/84/23/22/948842322.db2.gz VSVIXRKFTMEDLC-JTQLQIEISA-N -1 1 384.400 0.943 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1occ2c1CCOC2 ZINC001574683208 948842507 /nfs/dbraw/zinc/84/25/07/948842507.db2.gz VSVIXRKFTMEDLC-SNVBAGLBSA-N -1 1 384.400 0.943 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1occ2c1CCOC2 ZINC001574683208 948842521 /nfs/dbraw/zinc/84/25/21/948842521.db2.gz VSVIXRKFTMEDLC-SNVBAGLBSA-N -1 1 384.400 0.943 20 0 GCADMM CC(C)(C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573762041 948851002 /nfs/dbraw/zinc/85/10/02/948851002.db2.gz QCXJQVZAIMVXHR-UHFFFAOYSA-N -1 1 388.354 0.478 20 0 GCADMM CC(C)(C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573762041 948851020 /nfs/dbraw/zinc/85/10/20/948851020.db2.gz QCXJQVZAIMVXHR-UHFFFAOYSA-N -1 1 388.354 0.478 20 0 GCADMM CC(C)c1csc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001574424539 948852531 /nfs/dbraw/zinc/85/25/31/948852531.db2.gz PATWHQTWWWEBDC-UHFFFAOYSA-N -1 1 376.402 0.738 20 0 GCADMM CC(C)c1nc([C@H]2CCCCN2c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)no1 ZINC001574425319 948873748 /nfs/dbraw/zinc/87/37/48/948873748.db2.gz CPDAAFTXZRRVAM-SECBINFHSA-N -1 1 387.404 0.492 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1nnn(C)n1 ZINC001574684679 948881597 /nfs/dbraw/zinc/88/15/97/948881597.db2.gz KPEAVDMWZFMXMR-YFKPBYRVSA-N -1 1 383.829 0.121 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1nnn(C)n1 ZINC001574684679 948881616 /nfs/dbraw/zinc/88/16/16/948881616.db2.gz KPEAVDMWZFMXMR-YFKPBYRVSA-N -1 1 383.829 0.121 20 0 GCADMM CC(C)c1nc(CCNS(=O)(=O)c2cccnc2-c2nn[n-]n2)n(C)n1 ZINC001574426923 948894648 /nfs/dbraw/zinc/89/46/48/948894648.db2.gz WSRGFIGLHRQTNZ-UHFFFAOYSA-N -1 1 377.434 0.035 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575234228 948896111 /nfs/dbraw/zinc/89/61/11/948896111.db2.gz QBRVOTWBJOXQMR-RXMQYKEDSA-N -1 1 381.796 0.911 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)CC(F)(F)F ZINC001574920291 948897400 /nfs/dbraw/zinc/89/74/00/948897400.db2.gz HSTPQFMAPLNIHZ-ZETCQYMHSA-N -1 1 375.311 0.224 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC001574920423 948902104 /nfs/dbraw/zinc/90/21/04/948902104.db2.gz KVXWJOQZWKAJDS-SNVBAGLBSA-N -1 1 387.375 0.578 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574685235 948902428 /nfs/dbraw/zinc/90/24/28/948902428.db2.gz UBMCFLRMBUOTFP-WDSKDSINSA-N -1 1 386.825 0.392 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574685235 948902452 /nfs/dbraw/zinc/90/24/52/948902452.db2.gz UBMCFLRMBUOTFP-WDSKDSINSA-N -1 1 386.825 0.392 20 0 GCADMM CC(C)(C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573765356 948905484 /nfs/dbraw/zinc/90/54/84/948905484.db2.gz ZKXRGYPYVSSHHI-UHFFFAOYSA-N -1 1 386.460 0.280 20 0 GCADMM CC(C)(C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573765447 948907934 /nfs/dbraw/zinc/90/79/34/948907934.db2.gz GHZGKTGWCKBHMU-CYBMUJFWSA-N -1 1 386.460 0.544 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)s1 ZINC001574427624 948908599 /nfs/dbraw/zinc/90/85/99/948908599.db2.gz JWSVFLWFCQQVSU-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)s1 ZINC001574427624 948908612 /nfs/dbraw/zinc/90/86/12/948908612.db2.gz JWSVFLWFCQQVSU-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1cncn1 ZINC001574685446 948910904 /nfs/dbraw/zinc/91/09/04/948910904.db2.gz WNPKDQIFNHFVJS-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1cncn1 ZINC001574685446 948910918 /nfs/dbraw/zinc/91/09/18/948910918.db2.gz WNPKDQIFNHFVJS-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)c1ncncc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574431803 948925564 /nfs/dbraw/zinc/92/55/64/948925564.db2.gz BRPCFNCKAIQVDY-DGCLKSJQSA-N -1 1 394.443 0.565 20 0 GCADMM CC(C)c1ncncc1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574431802 948926195 /nfs/dbraw/zinc/92/61/95/948926195.db2.gz BQBDVSAJKHWQGL-UHFFFAOYSA-N -1 1 382.432 0.779 20 0 GCADMM CC(C)c1ncncc1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574431802 948926208 /nfs/dbraw/zinc/92/62/08/948926208.db2.gz BQBDVSAJKHWQGL-UHFFFAOYSA-N -1 1 382.432 0.779 20 0 GCADMM CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574431777 948926388 /nfs/dbraw/zinc/92/63/88/948926388.db2.gz BJOICPSYMFWWAC-LLVKDONJSA-N -1 1 382.432 0.565 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574431859 948927508 /nfs/dbraw/zinc/92/75/08/948927508.db2.gz CWLBCUSVEWLDMJ-LLVKDONJSA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574431859 948927513 /nfs/dbraw/zinc/92/75/13/948927513.db2.gz CWLBCUSVEWLDMJ-LLVKDONJSA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001574432280 948930605 /nfs/dbraw/zinc/93/06/05/948930605.db2.gz IKHPIWXMLIGOOR-UHFFFAOYSA-N -1 1 384.404 0.592 20 0 GCADMM CC(C)c1ncncc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001574432280 948930617 /nfs/dbraw/zinc/93/06/17/948930617.db2.gz IKHPIWXMLIGOOR-UHFFFAOYSA-N -1 1 384.404 0.592 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001575236845 948941469 /nfs/dbraw/zinc/94/14/69/948941469.db2.gz AGQYJBFZICQPLA-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001575236845 948941481 /nfs/dbraw/zinc/94/14/81/948941481.db2.gz AGQYJBFZICQPLA-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001575237316 948944889 /nfs/dbraw/zinc/94/48/89/948944889.db2.gz DTDFZMNKNKABBO-ONGXEEELSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001575237316 948944906 /nfs/dbraw/zinc/94/49/06/948944906.db2.gz DTDFZMNKNKABBO-ONGXEEELSA-N -1 1 382.375 0.148 20 0 GCADMM C[C@H](CNC(=O)CCn1ccnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923369 948945961 /nfs/dbraw/zinc/94/59/61/948945961.db2.gz KVUIWSHLTGRSMO-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@H](CNC(=O)CCn1ccnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923369 948945972 /nfs/dbraw/zinc/94/59/72/948945972.db2.gz KVUIWSHLTGRSMO-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1nccnc1-c1nnn[n-]1 ZINC001574923437 948949353 /nfs/dbraw/zinc/94/93/53/948949353.db2.gz MLWQYDGHUNCCDH-GFCCVEGCSA-N -1 1 383.416 0.073 20 0 GCADMM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1nccnc1-c1nn[n-]n1 ZINC001574923437 948949364 /nfs/dbraw/zinc/94/93/64/948949364.db2.gz MLWQYDGHUNCCDH-GFCCVEGCSA-N -1 1 383.416 0.073 20 0 GCADMM CC(C)c1ncncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001574433281 948950157 /nfs/dbraw/zinc/95/01/57/948950157.db2.gz RYIZJESSVFUNRC-RYUDHWBXSA-N -1 1 392.427 0.673 20 0 GCADMM CC(C)c1ncncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001574433281 948950167 /nfs/dbraw/zinc/95/01/67/948950167.db2.gz RYIZJESSVFUNRC-RYUDHWBXSA-N -1 1 392.427 0.673 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575238341 948950936 /nfs/dbraw/zinc/95/09/36/948950936.db2.gz KVVIUBYRRURJHX-GXSJLCMTSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575238341 948950951 /nfs/dbraw/zinc/95/09/51/948950951.db2.gz KVVIUBYRRURJHX-GXSJLCMTSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001575238375 948955751 /nfs/dbraw/zinc/95/57/51/948955751.db2.gz LQIBOIKGUBUWFH-UWVGGRQHSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001575238375 948955768 /nfs/dbraw/zinc/95/57/68/948955768.db2.gz LQIBOIKGUBUWFH-UWVGGRQHSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)[C@H]1C[C@@H](CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574089569 948961160 /nfs/dbraw/zinc/96/11/60/948961160.db2.gz FKSLUMMFCYKBFZ-WCQYABFASA-N -1 1 391.432 0.087 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433758 948963634 /nfs/dbraw/zinc/96/36/34/948963634.db2.gz PILIERLOPSJSCB-GHMZBOCLSA-N -1 1 384.448 0.554 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574433807 948963791 /nfs/dbraw/zinc/96/37/91/948963791.db2.gz RCVCZMLGHJBXFL-UHFFFAOYSA-N -1 1 384.448 0.722 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574433807 948963795 /nfs/dbraw/zinc/96/37/95/948963795.db2.gz RCVCZMLGHJBXFL-UHFFFAOYSA-N -1 1 384.448 0.722 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433760 948964490 /nfs/dbraw/zinc/96/44/90/948964490.db2.gz PILIERLOPSJSCB-QWRGUYRKSA-N -1 1 384.448 0.554 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1nccnc1-c1nnn[n-]1 ZINC001574924103 948966862 /nfs/dbraw/zinc/96/68/62/948966862.db2.gz VZONTOPTJDUKJY-SNVBAGLBSA-N -1 1 390.839 0.761 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1nccnc1-c1nn[n-]n1 ZINC001574924103 948966870 /nfs/dbraw/zinc/96/68/70/948966870.db2.gz VZONTOPTJDUKJY-SNVBAGLBSA-N -1 1 390.839 0.761 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433824 948966776 /nfs/dbraw/zinc/96/67/76/948966776.db2.gz RRBRRLXXBIIXFT-NSHDSACASA-N -1 1 384.448 0.556 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCC1=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574925508 948974903 /nfs/dbraw/zinc/97/49/03/948974903.db2.gz ARONIWRIJFGZHU-ZETCQYMHSA-N -1 1 384.853 0.516 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCC1=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574925508 948974913 /nfs/dbraw/zinc/97/49/13/948974913.db2.gz ARONIWRIJFGZHU-ZETCQYMHSA-N -1 1 384.853 0.516 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C(F)F ZINC001573773367 948983942 /nfs/dbraw/zinc/98/39/42/948983942.db2.gz LUEVRAYQGVMBGT-BDAKNGLRSA-N -1 1 382.375 0.004 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574689355 948985034 /nfs/dbraw/zinc/98/50/34/948985034.db2.gz GMPBGVGMGHMPLS-GHMZBOCLSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574689355 948985051 /nfs/dbraw/zinc/98/50/51/948985051.db2.gz GMPBGVGMGHMPLS-GHMZBOCLSA-N -1 1 382.432 0.807 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C(F)F ZINC001573773611 948985132 /nfs/dbraw/zinc/98/51/32/948985132.db2.gz NHSAVPUOMBOCLN-WCBMZHEXSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C(F)F ZINC001573773611 948985145 /nfs/dbraw/zinc/98/51/45/948985145.db2.gz NHSAVPUOMBOCLN-WCBMZHEXSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574090502 948986422 /nfs/dbraw/zinc/98/64/22/948986422.db2.gz KRFFXSKNWZSDPY-ZIAGYGMSSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574090502 948986432 /nfs/dbraw/zinc/98/64/32/948986432.db2.gz KRFFXSKNWZSDPY-ZIAGYGMSSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435289 948989639 /nfs/dbraw/zinc/98/96/39/948989639.db2.gz RQXIIYLRZCCDIS-NSHDSACASA-N -1 1 399.415 0.864 20 0 GCADMM CC(C)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435289 948989653 /nfs/dbraw/zinc/98/96/53/948989653.db2.gz RQXIIYLRZCCDIS-NSHDSACASA-N -1 1 399.415 0.864 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574926304 948993601 /nfs/dbraw/zinc/99/36/01/948993601.db2.gz NEXXJRKSAAPAPO-CYBMUJFWSA-N -1 1 381.444 0.734 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574689762 948994055 /nfs/dbraw/zinc/99/40/55/948994055.db2.gz LKTZJOFDGYDUCZ-YPMHNXCESA-N -1 1 379.428 0.773 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574689762 948994067 /nfs/dbraw/zinc/99/40/67/948994067.db2.gz LKTZJOFDGYDUCZ-YPMHNXCESA-N -1 1 379.428 0.773 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574689982 948997256 /nfs/dbraw/zinc/99/72/56/948997256.db2.gz MYUVMTHCFHEJHW-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574689982 948997271 /nfs/dbraw/zinc/99/72/71/948997271.db2.gz MYUVMTHCFHEJHW-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926392 948998805 /nfs/dbraw/zinc/99/88/05/948998805.db2.gz PHKQYJOGVQWMPE-CYBMUJFWSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926392 948998813 /nfs/dbraw/zinc/99/88/13/948998813.db2.gz PHKQYJOGVQWMPE-CYBMUJFWSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574926484 949000161 /nfs/dbraw/zinc/00/01/61/949000161.db2.gz SCBZUJQGROTJLI-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574926484 949000179 /nfs/dbraw/zinc/00/01/79/949000179.db2.gz SCBZUJQGROTJLI-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575501377 949010320 /nfs/dbraw/zinc/01/03/20/949010320.db2.gz HIJWLWCCKCFPJM-RYUDHWBXSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575501403 949011348 /nfs/dbraw/zinc/01/13/48/949011348.db2.gz HMDQOARYYSOWLX-VXGBXAGGSA-N -1 1 383.416 0.200 20 0 GCADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001575501935 949014983 /nfs/dbraw/zinc/01/49/83/949014983.db2.gz GULKGSPBCUQYPJ-SECBINFHSA-N -1 1 376.398 0.940 20 0 GCADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001575501935 949015044 /nfs/dbraw/zinc/01/50/44/949015044.db2.gz GULKGSPBCUQYPJ-SECBINFHSA-N -1 1 376.398 0.940 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574926667 949017662 /nfs/dbraw/zinc/01/76/62/949017662.db2.gz CHAHEPBGPMYAQE-LLVKDONJSA-N -1 1 381.400 0.003 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574926667 949017683 /nfs/dbraw/zinc/01/76/83/949017683.db2.gz CHAHEPBGPMYAQE-LLVKDONJSA-N -1 1 381.400 0.003 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001575502176 949018276 /nfs/dbraw/zinc/01/82/76/949018276.db2.gz IFRJROUGZYHJEY-UPJWGTAASA-N -1 1 395.427 0.603 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001575502176 949018284 /nfs/dbraw/zinc/01/82/84/949018284.db2.gz IFRJROUGZYHJEY-UPJWGTAASA-N -1 1 395.427 0.603 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926744 949020166 /nfs/dbraw/zinc/02/01/66/949020166.db2.gz WOMMFFHIAJBUEC-GFCCVEGCSA-N -1 1 387.448 0.224 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926744 949020184 /nfs/dbraw/zinc/02/01/84/949020184.db2.gz WOMMFFHIAJBUEC-GFCCVEGCSA-N -1 1 387.448 0.224 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574440079 949023893 /nfs/dbraw/zinc/02/38/93/949023893.db2.gz MODVAIRVAISOFF-VIFPVBQESA-N -1 1 386.445 0.640 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574440079 949023912 /nfs/dbraw/zinc/02/39/12/949023912.db2.gz MODVAIRVAISOFF-VIFPVBQESA-N -1 1 386.445 0.640 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573775052 949030796 /nfs/dbraw/zinc/03/07/96/949030796.db2.gz SQQSROLNEHBBTD-CYBMUJFWSA-N -1 1 388.476 0.574 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCCO1 ZINC001573775079 949031007 /nfs/dbraw/zinc/03/10/07/949031007.db2.gz YXLFRZICRLLVBS-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573775079 949031024 /nfs/dbraw/zinc/03/10/24/949031024.db2.gz YXLFRZICRLLVBS-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575502919 949031558 /nfs/dbraw/zinc/03/15/58/949031558.db2.gz LQMVFRQXPXWTFK-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575502919 949031579 /nfs/dbraw/zinc/03/15/79/949031579.db2.gz LQMVFRQXPXWTFK-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575245889 949031867 /nfs/dbraw/zinc/03/18/67/949031867.db2.gz FIYUWSUEEBFNMN-SNVBAGLBSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575245889 949031887 /nfs/dbraw/zinc/03/18/87/949031887.db2.gz FIYUWSUEEBFNMN-SNVBAGLBSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575502825 949035233 /nfs/dbraw/zinc/03/52/33/949035233.db2.gz KTWRBKGZHCVPOX-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575502825 949035252 /nfs/dbraw/zinc/03/52/52/949035252.db2.gz KTWRBKGZHCVPOX-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575246595 949041231 /nfs/dbraw/zinc/04/12/31/949041231.db2.gz HBPJIZIWRBWNDJ-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575246595 949041252 /nfs/dbraw/zinc/04/12/52/949041252.db2.gz HBPJIZIWRBWNDJ-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574927224 949041815 /nfs/dbraw/zinc/04/18/15/949041815.db2.gz HUBUILXZKVNVHD-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574927224 949041836 /nfs/dbraw/zinc/04/18/36/949041836.db2.gz HUBUILXZKVNVHD-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575246637 949041760 /nfs/dbraw/zinc/04/17/60/949041760.db2.gz HDZARDWLDXNVBO-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575246637 949041778 /nfs/dbraw/zinc/04/17/78/949041778.db2.gz HDZARDWLDXNVBO-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573775477 949042753 /nfs/dbraw/zinc/04/27/53/949042753.db2.gz XJSWWEQVILAUJD-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573775477 949042770 /nfs/dbraw/zinc/04/27/70/949042770.db2.gz XJSWWEQVILAUJD-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574440957 949045169 /nfs/dbraw/zinc/04/51/69/949045169.db2.gz ZPHJSOLQSATJSF-UHFFFAOYSA-N -1 1 386.420 0.666 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574440957 949045178 /nfs/dbraw/zinc/04/51/78/949045178.db2.gz ZPHJSOLQSATJSF-UHFFFAOYSA-N -1 1 386.420 0.666 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574927496 949046743 /nfs/dbraw/zinc/04/67/43/949046743.db2.gz JJXCGTDEEQBMNF-LLVKDONJSA-N -1 1 381.400 0.003 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574927496 949046759 /nfs/dbraw/zinc/04/67/59/949046759.db2.gz JJXCGTDEEQBMNF-LLVKDONJSA-N -1 1 381.400 0.003 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574692970 949047136 /nfs/dbraw/zinc/04/71/36/949047136.db2.gz FFCVZLCJLALCAX-OLZOCXBDSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575247559 949047178 /nfs/dbraw/zinc/04/71/78/949047178.db2.gz JQEQTVARXAQMTQ-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575247559 949047194 /nfs/dbraw/zinc/04/71/94/949047194.db2.gz JQEQTVARXAQMTQ-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1c[nH]cn1 ZINC001573778955 949047535 /nfs/dbraw/zinc/04/75/35/949047535.db2.gz AQNNGEQKDVDYOT-LLVKDONJSA-N -1 1 382.432 0.300 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1c[nH]cn1 ZINC001573778956 949048094 /nfs/dbraw/zinc/04/80/94/949048094.db2.gz AQNNGEQKDVDYOT-NSHDSACASA-N -1 1 382.432 0.300 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574693206 949048597 /nfs/dbraw/zinc/04/85/97/949048597.db2.gz CNMFXEFZROTSFE-JTQLQIEISA-N -1 1 382.432 0.879 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574693206 949048616 /nfs/dbraw/zinc/04/86/16/949048616.db2.gz CNMFXEFZROTSFE-JTQLQIEISA-N -1 1 382.432 0.879 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574927892 949048951 /nfs/dbraw/zinc/04/89/51/949048951.db2.gz MIGWITKLRYTDFE-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574927892 949048933 /nfs/dbraw/zinc/04/89/33/949048933.db2.gz MIGWITKLRYTDFE-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573778999 949049754 /nfs/dbraw/zinc/04/97/54/949049754.db2.gz BYLKGJLTPCZYGU-HNNXBMFYSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574092248 949057201 /nfs/dbraw/zinc/05/72/01/949057201.db2.gz MVYRYFDSSYLWSB-OLZOCXBDSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574092248 949057220 /nfs/dbraw/zinc/05/72/20/949057220.db2.gz MVYRYFDSSYLWSB-OLZOCXBDSA-N -1 1 386.460 0.714 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575503976 949059762 /nfs/dbraw/zinc/05/97/62/949059762.db2.gz QPVRMRLOEZOCJY-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575503976 949059784 /nfs/dbraw/zinc/05/97/84/949059784.db2.gz QPVRMRLOEZOCJY-NEPJUHHUSA-N -1 1 381.400 0.532 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574441454 949059857 /nfs/dbraw/zinc/05/98/57/949059857.db2.gz LCLURMQPPSYSDA-NSHDSACASA-N -1 1 386.416 0.340 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573779302 949060452 /nfs/dbraw/zinc/06/04/52/949060452.db2.gz GTQJIIAYHWQCEJ-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573779302 949060461 /nfs/dbraw/zinc/06/04/61/949060461.db2.gz GTQJIIAYHWQCEJ-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574928631 949060841 /nfs/dbraw/zinc/06/08/41/949060841.db2.gz PUACPFLFGBBMJI-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574928631 949060824 /nfs/dbraw/zinc/06/08/24/949060824.db2.gz PUACPFLFGBBMJI-NSHDSACASA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574928691 949062815 /nfs/dbraw/zinc/06/28/15/949062815.db2.gz QUOCBUBBHWOIKD-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574928691 949062834 /nfs/dbraw/zinc/06/28/34/949062834.db2.gz QUOCBUBBHWOIKD-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574928976 949066409 /nfs/dbraw/zinc/06/64/09/949066409.db2.gz UVHDTWPFYJCTNO-NSHDSACASA-N -1 1 381.400 0.003 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574928976 949066430 /nfs/dbraw/zinc/06/64/30/949066430.db2.gz UVHDTWPFYJCTNO-NSHDSACASA-N -1 1 381.400 0.003 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574441606 949067295 /nfs/dbraw/zinc/06/72/95/949067295.db2.gz OZOPXOPKVYTUGJ-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574441606 949067310 /nfs/dbraw/zinc/06/73/10/949067310.db2.gz OZOPXOPKVYTUGJ-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574694266 949068760 /nfs/dbraw/zinc/06/87/60/949068760.db2.gz MOHFZOXOSBNXGA-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574694266 949068788 /nfs/dbraw/zinc/06/87/88/949068788.db2.gz MOHFZOXOSBNXGA-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574092605 949069235 /nfs/dbraw/zinc/06/92/35/949069235.db2.gz OYAVFQWPGHNFHH-OLZOCXBDSA-N -1 1 386.460 0.448 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575504455 949072440 /nfs/dbraw/zinc/07/24/40/949072440.db2.gz UXKSNUGKMQOIGR-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575504455 949072462 /nfs/dbraw/zinc/07/24/62/949072462.db2.gz UXKSNUGKMQOIGR-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574929195 949081087 /nfs/dbraw/zinc/08/10/87/949081087.db2.gz ARACVGCZTVBGAD-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574929195 949081103 /nfs/dbraw/zinc/08/11/03/949081103.db2.gz ARACVGCZTVBGAD-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575504784 949087004 /nfs/dbraw/zinc/08/70/04/949087004.db2.gz XVTJIMHEBQLLRA-GFCCVEGCSA-N -1 1 383.416 0.202 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249263 949094523 /nfs/dbraw/zinc/09/45/23/949094523.db2.gz YOPJQXCEOTZIMU-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249263 949094543 /nfs/dbraw/zinc/09/45/43/949094543.db2.gz YOPJQXCEOTZIMU-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575249646 949103034 /nfs/dbraw/zinc/10/30/34/949103034.db2.gz ZSZNVXWQZQALTR-GHMZBOCLSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575249646 949103041 /nfs/dbraw/zinc/10/30/41/949103041.db2.gz ZSZNVXWQZQALTR-GHMZBOCLSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H](C)CC(N)=O ZINC001574695145 949103130 /nfs/dbraw/zinc/10/31/30/949103130.db2.gz CUDGMVSMKKSOJL-NKWVEPMBSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H](C)CC(N)=O ZINC001574695145 949103138 /nfs/dbraw/zinc/10/31/38/949103138.db2.gz CUDGMVSMKKSOJL-NKWVEPMBSA-N -1 1 386.869 0.795 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573781340 949104157 /nfs/dbraw/zinc/10/41/57/949104157.db2.gz FKXZMKIPBBTQPX-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573781340 949104165 /nfs/dbraw/zinc/10/41/65/949104165.db2.gz FKXZMKIPBBTQPX-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574443431 949107098 /nfs/dbraw/zinc/10/70/98/949107098.db2.gz YEZQHLBJRHTLPO-LLVKDONJSA-N -1 1 383.416 0.907 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574695391 949107519 /nfs/dbraw/zinc/10/75/19/949107519.db2.gz GVVQYSNSRHWKNU-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574695391 949107531 /nfs/dbraw/zinc/10/75/31/949107531.db2.gz GVVQYSNSRHWKNU-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(F)F ZINC001573781677 949110675 /nfs/dbraw/zinc/11/06/75/949110675.db2.gz MCGZSNGOWXKVCL-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(F)F ZINC001573781677 949110690 /nfs/dbraw/zinc/11/06/90/949110690.db2.gz MCGZSNGOWXKVCL-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574930740 949111307 /nfs/dbraw/zinc/11/13/07/949111307.db2.gz MFAIYLPWQHQWCV-VXGBXAGGSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574930740 949111317 /nfs/dbraw/zinc/11/13/17/949111317.db2.gz MFAIYLPWQHQWCV-VXGBXAGGSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574695396 949113439 /nfs/dbraw/zinc/11/34/39/949113439.db2.gz GZMYSNQHUXIHLJ-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574695396 949113452 /nfs/dbraw/zinc/11/34/52/949113452.db2.gz GZMYSNQHUXIHLJ-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575250696 949115315 /nfs/dbraw/zinc/11/53/15/949115315.db2.gz GKSYETSBNKRLTC-NEPJUHHUSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575250696 949115302 /nfs/dbraw/zinc/11/53/02/949115302.db2.gz GKSYETSBNKRLTC-NEPJUHHUSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575250699 949115691 /nfs/dbraw/zinc/11/56/91/949115691.db2.gz GKSYETSBNKRLTC-VXGBXAGGSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575250699 949115680 /nfs/dbraw/zinc/11/56/80/949115680.db2.gz GKSYETSBNKRLTC-VXGBXAGGSA-N -1 1 389.464 0.073 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C(F)F ZINC001573782319 949120230 /nfs/dbraw/zinc/12/02/30/949120230.db2.gz REPKJVMFPWIMAO-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C(F)F ZINC001573782319 949120239 /nfs/dbraw/zinc/12/02/39/949120239.db2.gz REPKJVMFPWIMAO-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574446259 949123430 /nfs/dbraw/zinc/12/34/30/949123430.db2.gz LSCXHLQIIFWMQM-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574446259 949123436 /nfs/dbraw/zinc/12/34/36/949123436.db2.gz LSCXHLQIIFWMQM-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574696229 949124365 /nfs/dbraw/zinc/12/43/65/949124365.db2.gz OBTSXWAAANSNSG-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cn1cc(Cl)cn1 ZINC001574696229 949124377 /nfs/dbraw/zinc/12/43/77/949124377.db2.gz OBTSXWAAANSNSG-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(F)F ZINC001573782702 949127150 /nfs/dbraw/zinc/12/71/50/949127150.db2.gz VHDHKDWJCQGMND-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(F)F ZINC001573782702 949127158 /nfs/dbraw/zinc/12/71/58/949127158.db2.gz VHDHKDWJCQGMND-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(F)F ZINC001573782703 949127458 /nfs/dbraw/zinc/12/74/58/949127458.db2.gz VHDHKDWJCQGMND-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(F)F ZINC001573782703 949127467 /nfs/dbraw/zinc/12/74/67/949127467.db2.gz VHDHKDWJCQGMND-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574094116 949127799 /nfs/dbraw/zinc/12/77/99/949127799.db2.gz XLZFATUVHHEERZ-CHWSQXEVSA-N -1 1 386.460 0.448 20 0 GCADMM CC(C)(C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573782785 949134201 /nfs/dbraw/zinc/13/42/01/949134201.db2.gz YKKXPSYCLKMYTP-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC(C)(C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001573782785 949134224 /nfs/dbraw/zinc/13/42/24/949134224.db2.gz YKKXPSYCLKMYTP-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573782869 949136129 /nfs/dbraw/zinc/13/61/29/949136129.db2.gz ZDJGKGQHMMLCFZ-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573782869 949136136 /nfs/dbraw/zinc/13/61/36/949136136.db2.gz ZDJGKGQHMMLCFZ-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573782940 949138506 /nfs/dbraw/zinc/13/85/06/949138506.db2.gz ZIGAOIVRJKSTAH-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1c[nH]cn1 ZINC001573783184 949146218 /nfs/dbraw/zinc/14/62/18/949146218.db2.gz WPNZMSFNRWYVRW-LLVKDONJSA-N -1 1 382.432 0.443 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574697171 949149423 /nfs/dbraw/zinc/14/94/23/949149423.db2.gz ZLCRWFXSGKPZJM-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574697171 949149436 /nfs/dbraw/zinc/14/94/36/949149436.db2.gz ZLCRWFXSGKPZJM-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(F)(F)F ZINC001573786814 949150430 /nfs/dbraw/zinc/15/04/30/949150430.db2.gz CZOYHVYGPZERQT-BRPSZJMVSA-N -1 1 382.350 0.796 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(F)(F)F ZINC001573786814 949150439 /nfs/dbraw/zinc/15/04/39/949150439.db2.gz CZOYHVYGPZERQT-BRPSZJMVSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574697560 949154132 /nfs/dbraw/zinc/15/41/32/949154132.db2.gz AYUKWEGOLMUDIZ-RQJHMYQMSA-N -1 1 386.869 0.747 20 0 GCADMM CC(C)c1ocnc1C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574447482 949162274 /nfs/dbraw/zinc/16/22/74/949162274.db2.gz PPXLRBQTHYOWFF-NSHDSACASA-N -1 1 383.416 0.811 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698058 949172332 /nfs/dbraw/zinc/17/23/32/949172332.db2.gz FQHSNYOMOKROTG-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698058 949172347 /nfs/dbraw/zinc/17/23/47/949172347.db2.gz FQHSNYOMOKROTG-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698060 949172692 /nfs/dbraw/zinc/17/26/92/949172692.db2.gz FQHSNYOMOKROTG-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698060 949172697 /nfs/dbraw/zinc/17/26/97/949172697.db2.gz FQHSNYOMOKROTG-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575253138 949177622 /nfs/dbraw/zinc/17/76/22/949177622.db2.gz SOYMOLMIVQADRZ-GARJFASQSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575253138 949177637 /nfs/dbraw/zinc/17/76/37/949177637.db2.gz SOYMOLMIVQADRZ-GARJFASQSA-N -1 1 387.448 0.267 20 0 GCADMM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574099507 949178985 /nfs/dbraw/zinc/17/89/85/949178985.db2.gz LNQONQLMYGSLQP-RISCZKNCSA-N -1 1 391.432 0.087 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698250 949183066 /nfs/dbraw/zinc/18/30/66/949183066.db2.gz HQQNRBYSPLTBNC-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698250 949183083 /nfs/dbraw/zinc/18/30/83/949183083.db2.gz HQQNRBYSPLTBNC-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934957 949187166 /nfs/dbraw/zinc/18/71/66/949187166.db2.gz VXVOOSSJZOWYBZ-SNVBAGLBSA-N -1 1 388.819 0.728 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698467 949194652 /nfs/dbraw/zinc/19/46/52/949194652.db2.gz LIXUUCBRDGAUNH-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698467 949194667 /nfs/dbraw/zinc/19/46/67/949194667.db2.gz LIXUUCBRDGAUNH-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2cnccc12)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574935326 949195118 /nfs/dbraw/zinc/19/51/18/949195118.db2.gz AHDKPOJNWJHNPP-NSHDSACASA-N -1 1 392.427 0.717 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2cnccc12)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574935326 949195134 /nfs/dbraw/zinc/19/51/34/949195134.db2.gz AHDKPOJNWJHNPP-NSHDSACASA-N -1 1 392.427 0.717 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574935608 949202841 /nfs/dbraw/zinc/20/28/41/949202841.db2.gz DJQOQEHROINIGI-JTQLQIEISA-N -1 1 383.416 0.929 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574935608 949202861 /nfs/dbraw/zinc/20/28/61/949202861.db2.gz DJQOQEHROINIGI-JTQLQIEISA-N -1 1 383.416 0.929 20 0 GCADMM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575254487 949207992 /nfs/dbraw/zinc/20/79/92/949207992.db2.gz WIWXIHIIBWNUIU-RYUDHWBXSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575254487 949208010 /nfs/dbraw/zinc/20/80/10/949208010.db2.gz WIWXIHIIBWNUIU-RYUDHWBXSA-N -1 1 389.464 0.073 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccccc2O)CC1 ZINC001575853255 949208815 /nfs/dbraw/zinc/20/88/15/949208815.db2.gz MRDYQXCTQMAUKL-UHFFFAOYSA-N -1 1 380.412 0.891 20 0 GCADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575254699 949211834 /nfs/dbraw/zinc/21/18/34/949211834.db2.gz ODJHBLMWFLMJLO-NWDGAFQWSA-N -1 1 379.428 0.511 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574102894 949213572 /nfs/dbraw/zinc/21/35/72/949213572.db2.gz FSUCTUXCPAVGGK-SCLBCKFNSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575254929 949215696 /nfs/dbraw/zinc/21/56/96/949215696.db2.gz ODJHBLMWFLMJLO-VXGBXAGGSA-N -1 1 379.428 0.511 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001575853391 949216820 /nfs/dbraw/zinc/21/68/20/949216820.db2.gz QZKJNGDEUUEWKE-UHFFFAOYSA-N -1 1 382.432 0.806 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001575853391 949216844 /nfs/dbraw/zinc/21/68/44/949216844.db2.gz QZKJNGDEUUEWKE-UHFFFAOYSA-N -1 1 382.432 0.806 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574451214 949219894 /nfs/dbraw/zinc/21/98/94/949219894.db2.gz HJZFIPZHZFTNFS-PJXYFTJBSA-N -1 1 381.400 0.633 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1nccnc1-c1nnn[n-]1 ZINC001574936857 949221440 /nfs/dbraw/zinc/22/14/40/949221440.db2.gz LQQPTAKDMFKNEP-JTQLQIEISA-N -1 1 383.416 0.929 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1nccnc1-c1nn[n-]n1 ZINC001574936857 949221461 /nfs/dbraw/zinc/22/14/61/949221461.db2.gz LQQPTAKDMFKNEP-JTQLQIEISA-N -1 1 383.416 0.929 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574451325 949226473 /nfs/dbraw/zinc/22/64/73/949226473.db2.gz MKMIFIHQMOYEQR-YABSGUDNSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574451325 949226492 /nfs/dbraw/zinc/22/64/92/949226492.db2.gz MKMIFIHQMOYEQR-YABSGUDNSA-N -1 1 381.400 0.633 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574937707 949230059 /nfs/dbraw/zinc/23/00/59/949230059.db2.gz PYFVRLJCQWAYMO-JTQLQIEISA-N -1 1 383.416 0.929 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574937707 949230075 /nfs/dbraw/zinc/23/00/75/949230075.db2.gz PYFVRLJCQWAYMO-JTQLQIEISA-N -1 1 383.416 0.929 20 0 GCADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574451522 949232659 /nfs/dbraw/zinc/23/26/59/949232659.db2.gz QUOVHMHIYQLZNU-LBPRGKRZSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576151903 949236777 /nfs/dbraw/zinc/23/67/77/949236777.db2.gz GRJCJCUGRHZMKB-AAVRWANBSA-N -1 1 386.460 0.733 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001575854660 949240334 /nfs/dbraw/zinc/24/03/34/949240334.db2.gz ZIHLXHANZCMCJE-UHFFFAOYSA-N -1 1 387.429 0.348 20 0 GCADMM C[C@H]1CCC[C@H](OCC(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576152300 949248629 /nfs/dbraw/zinc/24/86/29/949248629.db2.gz INDRYEYHZZIYJE-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCC[C@H](OCC(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576152300 949248650 /nfs/dbraw/zinc/24/86/50/949248650.db2.gz INDRYEYHZZIYJE-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1cc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574452455 949259555 /nfs/dbraw/zinc/25/95/55/949259555.db2.gz JQCWRUJAWIBSLK-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574452455 949259576 /nfs/dbraw/zinc/25/95/76/949259576.db2.gz JQCWRUJAWIBSLK-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452493 949265805 /nfs/dbraw/zinc/26/58/05/949265805.db2.gz LCDJNBLPCIPHME-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452493 949265828 /nfs/dbraw/zinc/26/58/28/949265828.db2.gz LCDJNBLPCIPHME-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001575857240 949267840 /nfs/dbraw/zinc/26/78/40/949267840.db2.gz QDDYQGGVAVXTGD-LLVKDONJSA-N -1 1 385.432 0.118 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001575857240 949267865 /nfs/dbraw/zinc/26/78/65/949267865.db2.gz QDDYQGGVAVXTGD-LLVKDONJSA-N -1 1 385.432 0.118 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)cn1 ZINC001574452865 949269170 /nfs/dbraw/zinc/26/91/70/949269170.db2.gz OXIYLKXWSWTDBL-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)cn1 ZINC001574452865 949269189 /nfs/dbraw/zinc/26/91/89/949269189.db2.gz OXIYLKXWSWTDBL-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)cn1 ZINC001574452838 949269851 /nfs/dbraw/zinc/26/98/51/949269851.db2.gz NUPWLSKQYKRRBC-STQMWFEESA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)cn1 ZINC001574452838 949269872 /nfs/dbraw/zinc/26/98/72/949269872.db2.gz NUPWLSKQYKRRBC-STQMWFEESA-N -1 1 380.416 0.537 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001575857776 949278894 /nfs/dbraw/zinc/27/88/94/949278894.db2.gz VSCUEFQZULWTDU-LLVKDONJSA-N -1 1 386.416 0.403 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001575857776 949278918 /nfs/dbraw/zinc/27/89/18/949278918.db2.gz VSCUEFQZULWTDU-LLVKDONJSA-N -1 1 386.416 0.403 20 0 GCADMM CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CC1 ZINC001575860229 949291420 /nfs/dbraw/zinc/29/14/20/949291420.db2.gz DQHNQYMFLHQGMX-VCBZYWHSSA-N -1 1 398.471 0.849 20 0 GCADMM CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CC1 ZINC001575860229 949291440 /nfs/dbraw/zinc/29/14/40/949291440.db2.gz DQHNQYMFLHQGMX-VCBZYWHSSA-N -1 1 398.471 0.849 20 0 GCADMM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574941199 949294472 /nfs/dbraw/zinc/29/44/72/949294472.db2.gz BPPBJRYLVXBWIL-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574455023 949299327 /nfs/dbraw/zinc/29/93/27/949299327.db2.gz LLRLCQGWOIHXOF-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574455023 949299343 /nfs/dbraw/zinc/29/93/43/949299343.db2.gz LLRLCQGWOIHXOF-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575258871 949314212 /nfs/dbraw/zinc/31/42/12/949314212.db2.gz LMDXDLSKMCSAJU-VXGBXAGGSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575258871 949314232 /nfs/dbraw/zinc/31/42/32/949314232.db2.gz LMDXDLSKMCSAJU-VXGBXAGGSA-N -1 1 386.416 0.266 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001574457257 949319405 /nfs/dbraw/zinc/31/94/05/949319405.db2.gz DWPQROLAVAJHLD-UHFFFAOYSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575259152 949320319 /nfs/dbraw/zinc/32/03/19/949320319.db2.gz MRKDAOUEVXCCKM-RYUDHWBXSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnon1 ZINC001576154198 949321817 /nfs/dbraw/zinc/32/18/17/949321817.db2.gz CJCAXRVBTYKFDO-QLJPJBMISA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnon1 ZINC001576154198 949321840 /nfs/dbraw/zinc/32/18/40/949321840.db2.gz CJCAXRVBTYKFDO-QLJPJBMISA-N -1 1 384.404 0.831 20 0 GCADMM CC(C)n1ccc(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)n1 ZINC001574457245 949322878 /nfs/dbraw/zinc/32/28/78/949322878.db2.gz DJSYVXNBBNVHEK-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)n1 ZINC001574457245 949322900 /nfs/dbraw/zinc/32/29/00/949322900.db2.gz DJSYVXNBBNVHEK-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575259514 949326712 /nfs/dbraw/zinc/32/67/12/949326712.db2.gz POARPORHLQEJBI-GXTWGEPZSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575259514 949326735 /nfs/dbraw/zinc/32/67/35/949326735.db2.gz POARPORHLQEJBI-GXTWGEPZSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575259517 949331510 /nfs/dbraw/zinc/33/15/10/949331510.db2.gz POARPORHLQEJBI-TZMCWYRMSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575259517 949331536 /nfs/dbraw/zinc/33/15/36/949331536.db2.gz POARPORHLQEJBI-TZMCWYRMSA-N -1 1 384.444 0.725 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001574457709 949333498 /nfs/dbraw/zinc/33/34/98/949333498.db2.gz NCRSAHNYXOCJNA-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001574457709 949333521 /nfs/dbraw/zinc/33/35/21/949333521.db2.gz NCRSAHNYXOCJNA-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574458156 949337923 /nfs/dbraw/zinc/33/79/23/949337923.db2.gz PWSSBVFYEICUCZ-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574458156 949337943 /nfs/dbraw/zinc/33/79/43/949337943.db2.gz PWSSBVFYEICUCZ-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574458105 949339062 /nfs/dbraw/zinc/33/90/62/949339062.db2.gz PDOFPPKKZQVKPC-LBPRGKRZSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458627 949340654 /nfs/dbraw/zinc/34/06/54/949340654.db2.gz UWDRFYVVDNUEKO-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458627 949340675 /nfs/dbraw/zinc/34/06/75/949340675.db2.gz UWDRFYVVDNUEKO-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458316 949342565 /nfs/dbraw/zinc/34/25/65/949342565.db2.gz SLTOPYMPCKTLRW-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458316 949342590 /nfs/dbraw/zinc/34/25/90/949342590.db2.gz SLTOPYMPCKTLRW-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cc1cc[nH]n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942281 949344174 /nfs/dbraw/zinc/34/41/74/949344174.db2.gz NAJPZVHVUOOPQM-SSDOTTSWSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@H](CNC(=O)Cc1cc[nH]n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942281 949344196 /nfs/dbraw/zinc/34/41/96/949344196.db2.gz NAJPZVHVUOOPQM-SSDOTTSWSA-N -1 1 381.853 0.883 20 0 GCADMM CC(C)CC(=O)N1CCOC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001574110166 949352674 /nfs/dbraw/zinc/35/26/74/949352674.db2.gz TVHFYFYMELVYJR-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574459548 949360164 /nfs/dbraw/zinc/36/01/64/949360164.db2.gz JBLYZYJSNQRQET-CYBMUJFWSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574459548 949360177 /nfs/dbraw/zinc/36/01/77/949360177.db2.gz JBLYZYJSNQRQET-CYBMUJFWSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260803 949362469 /nfs/dbraw/zinc/36/24/69/949362469.db2.gz XQRPXMGORHOFHR-TZMCWYRMSA-N -1 1 384.444 0.725 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574459837 949366557 /nfs/dbraw/zinc/36/65/57/949366557.db2.gz MAXDDBBCWJUFJR-BETUJISGSA-N -1 1 382.432 0.158 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnon1 ZINC001576154827 949367222 /nfs/dbraw/zinc/36/72/22/949367222.db2.gz FMVACIAFZGGPLB-QLJPJBMISA-N -1 1 384.404 0.252 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575260892 949367635 /nfs/dbraw/zinc/36/76/35/949367635.db2.gz YFRYVXIHXMAGGO-TZMCWYRMSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575260892 949367656 /nfs/dbraw/zinc/36/76/56/949367656.db2.gz YFRYVXIHXMAGGO-TZMCWYRMSA-N -1 1 384.444 0.725 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573799360 949368863 /nfs/dbraw/zinc/36/88/63/949368863.db2.gz LSNSWQGCBZKUGG-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573799360 949368884 /nfs/dbraw/zinc/36/88/84/949368884.db2.gz LSNSWQGCBZKUGG-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC1=NO[C@@H](CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001575865235 949369566 /nfs/dbraw/zinc/36/95/66/949369566.db2.gz KMLBJHAVOMIKKV-VXGBXAGGSA-N -1 1 386.420 0.042 20 0 GCADMM CC(C)n1ccc(CC(=O)NCCCN(C)c2nccnc2-c2nnn[n-]2)n1 ZINC001574459858 949369770 /nfs/dbraw/zinc/36/97/70/949369770.db2.gz MTPZQKJRXQCRDW-UHFFFAOYSA-N -1 1 384.448 0.619 20 0 GCADMM CC(C)n1ccc(CC(=O)NCCCN(C)c2nccnc2-c2nn[n-]n2)n1 ZINC001574459858 949369794 /nfs/dbraw/zinc/36/97/94/949369794.db2.gz MTPZQKJRXQCRDW-UHFFFAOYSA-N -1 1 384.448 0.619 20 0 GCADMM CC1=NO[C@@H](CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001575865235 949369588 /nfs/dbraw/zinc/36/95/88/949369588.db2.gz KMLBJHAVOMIKKV-VXGBXAGGSA-N -1 1 386.420 0.042 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573800006 949381857 /nfs/dbraw/zinc/38/18/57/949381857.db2.gz TZVNJHJAYGTSDV-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573800006 949381880 /nfs/dbraw/zinc/38/18/80/949381880.db2.gz TZVNJHJAYGTSDV-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccn(C)n1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574943875 949385845 /nfs/dbraw/zinc/38/58/45/949385845.db2.gz ZOCRXAZNWSMYND-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccn(C)n1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574943875 949385866 /nfs/dbraw/zinc/38/58/66/949385866.db2.gz ZOCRXAZNWSMYND-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574464135 949396065 /nfs/dbraw/zinc/39/60/65/949396065.db2.gz GPXYQQVNLMRHDW-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574464135 949396086 /nfs/dbraw/zinc/39/60/86/949396086.db2.gz GPXYQQVNLMRHDW-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001574464129 949399242 /nfs/dbraw/zinc/39/92/42/949399242.db2.gz GNOZQLFDYVLFIW-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001574464129 949399265 /nfs/dbraw/zinc/39/92/65/949399265.db2.gz GNOZQLFDYVLFIW-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573801864 949402882 /nfs/dbraw/zinc/40/28/82/949402882.db2.gz AJUNEONNLNBQOG-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573801864 949402896 /nfs/dbraw/zinc/40/28/96/949402896.db2.gz AJUNEONNLNBQOG-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001574464262 949407627 /nfs/dbraw/zinc/40/76/27/949407627.db2.gz IAEVWTHPUKJQFG-YPMHNXCESA-N -1 1 383.416 0.019 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001574464262 949407642 /nfs/dbraw/zinc/40/76/42/949407642.db2.gz IAEVWTHPUKJQFG-YPMHNXCESA-N -1 1 383.416 0.019 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574945098 949409144 /nfs/dbraw/zinc/40/91/44/949409144.db2.gz KPOFZEPHXAADTD-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574945098 949409156 /nfs/dbraw/zinc/40/91/56/949409156.db2.gz KPOFZEPHXAADTD-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574464362 949412204 /nfs/dbraw/zinc/41/22/04/949412204.db2.gz MCCBOOGGSISXFP-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574464362 949412218 /nfs/dbraw/zinc/41/22/18/949412218.db2.gz MCCBOOGGSISXFP-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573802162 949412658 /nfs/dbraw/zinc/41/26/58/949412658.db2.gz FIESTQWZGFWIFQ-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573802162 949412669 /nfs/dbraw/zinc/41/26/69/949412669.db2.gz FIESTQWZGFWIFQ-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464345 949413251 /nfs/dbraw/zinc/41/32/51/949413251.db2.gz LQQPHIQUQZIBGM-GFCCVEGCSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@@H](CNC(=O)Cc1ncc[nH]1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574945544 949414868 /nfs/dbraw/zinc/41/48/68/949414868.db2.gz LXSCFHWPKYAAPZ-ZETCQYMHSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@@H](CNC(=O)Cc1ncc[nH]1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574945544 949414881 /nfs/dbraw/zinc/41/48/81/949414881.db2.gz LXSCFHWPKYAAPZ-ZETCQYMHSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866878 949423691 /nfs/dbraw/zinc/42/36/91/949423691.db2.gz IJCPLXDIWSMWQG-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866878 949423707 /nfs/dbraw/zinc/42/37/07/949423707.db2.gz IJCPLXDIWSMWQG-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866876 949426286 /nfs/dbraw/zinc/42/62/86/949426286.db2.gz IJCPLXDIWSMWQG-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866876 949426298 /nfs/dbraw/zinc/42/62/98/949426298.db2.gz IJCPLXDIWSMWQG-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@]1(C(=O)N2CCC(CCNc3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575534593 949433681 /nfs/dbraw/zinc/43/36/81/949433681.db2.gz OQXABEJVGCSIBV-GOSISDBHSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1nccnc1-c1nnn[n-]1 ZINC001574705832 949437322 /nfs/dbraw/zinc/43/73/22/949437322.db2.gz JTIKUNSQEYSFCG-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1nccnc1-c1nn[n-]n1 ZINC001574705832 949437339 /nfs/dbraw/zinc/43/73/39/949437339.db2.gz JTIKUNSQEYSFCG-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573803502 949442360 /nfs/dbraw/zinc/44/23/60/949442360.db2.gz QLKLLMLPGSFGGD-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573803502 949442385 /nfs/dbraw/zinc/44/23/85/949442385.db2.gz QLKLLMLPGSFGGD-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574467942 949449747 /nfs/dbraw/zinc/44/97/47/949449747.db2.gz AAXJKOAQWHNODY-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574467942 949449768 /nfs/dbraw/zinc/44/97/68/949449768.db2.gz AAXJKOAQWHNODY-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574467979 949451474 /nfs/dbraw/zinc/45/14/74/949451474.db2.gz BXBPKAFHCITJSG-GFCCVEGCSA-N -1 1 382.432 0.430 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574468063 949456579 /nfs/dbraw/zinc/45/65/79/949456579.db2.gz GSWYIHZTWBPBSX-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573804005 949461242 /nfs/dbraw/zinc/46/12/42/949461242.db2.gz ZLVLURFGGUNZSH-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573804005 949461258 /nfs/dbraw/zinc/46/12/58/949461258.db2.gz ZLVLURFGGUNZSH-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574468564 949466016 /nfs/dbraw/zinc/46/60/16/949466016.db2.gz PUCNBKAHQFSTKK-HAQNSBGRSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001574468578 949467231 /nfs/dbraw/zinc/46/72/31/949467231.db2.gz QFJNRBUVMNXYCN-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001574468578 949467244 /nfs/dbraw/zinc/46/72/44/949467244.db2.gz QFJNRBUVMNXYCN-HBYGRHMLSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574468571 949467550 /nfs/dbraw/zinc/46/75/50/949467550.db2.gz QCSGJRTWKGELDT-BZPMIXESSA-N -1 1 394.443 0.974 20 0 GCADMM CC(C)n1ncc(C(=O)N[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)c1Cl ZINC001574468575 949468676 /nfs/dbraw/zinc/46/86/76/949468676.db2.gz QDUMHPLQPPPEKD-SECBINFHSA-N -1 1 390.839 0.740 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574948736 949472911 /nfs/dbraw/zinc/47/29/11/949472911.db2.gz MDZBVJDGBXAAHO-SECBINFHSA-N -1 1 392.374 0.655 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574948736 949472930 /nfs/dbraw/zinc/47/29/30/949472930.db2.gz MDZBVJDGBXAAHO-SECBINFHSA-N -1 1 392.374 0.655 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949031 949479978 /nfs/dbraw/zinc/47/99/78/949479978.db2.gz PTAPMUVZYFRJNS-ZETCQYMHSA-N -1 1 382.841 0.209 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949031 949479996 /nfs/dbraw/zinc/47/99/96/949479996.db2.gz PTAPMUVZYFRJNS-ZETCQYMHSA-N -1 1 382.841 0.209 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnon1 ZINC001576157346 949481140 /nfs/dbraw/zinc/48/11/40/949481140.db2.gz PWTNKURRMGIHHH-QFYYESIMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnon1 ZINC001576157346 949481151 /nfs/dbraw/zinc/48/11/51/949481151.db2.gz PWTNKURRMGIHHH-QFYYESIMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnco1 ZINC001576157393 949482308 /nfs/dbraw/zinc/48/23/08/949482308.db2.gz QCJWGMWKPZNYFR-GTNSWQLSSA-N -1 1 383.416 0.857 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575869936 949482866 /nfs/dbraw/zinc/48/28/66/949482866.db2.gz SRXLCWMPYNKWLY-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnco1 ZINC001576157396 949483336 /nfs/dbraw/zinc/48/33/36/949483336.db2.gz QCJWGMWKPZNYFR-PIGZYNQJSA-N -1 1 383.416 0.857 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574118276 949489430 /nfs/dbraw/zinc/48/94/30/949489430.db2.gz DCWFXIOYMBXWBL-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574118276 949489445 /nfs/dbraw/zinc/48/94/45/949489445.db2.gz DCWFXIOYMBXWBL-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574118953 949493557 /nfs/dbraw/zinc/49/35/57/949493557.db2.gz HBFUKWQMDUBHLV-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949401 949493830 /nfs/dbraw/zinc/49/38/30/949493830.db2.gz VRIPJGMUUVETOO-VIFPVBQESA-N -1 1 376.812 0.148 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574118933 949494101 /nfs/dbraw/zinc/49/41/01/949494101.db2.gz GTCAUQAAJIBVLF-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574118933 949494121 /nfs/dbraw/zinc/49/41/21/949494121.db2.gz GTCAUQAAJIBVLF-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC1(C(=O)N2CCC3(CC2)CN(c2nccnc2-c2nnn[n-]2)CCO3)CC1 ZINC001575537475 949494483 /nfs/dbraw/zinc/49/44/83/949494483.db2.gz VYPUCSLYNDJZMH-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CCC3(CC2)CN(c2nccnc2-c2nn[n-]n2)CCO3)CC1 ZINC001575537475 949494499 /nfs/dbraw/zinc/49/44/99/949494499.db2.gz VYPUCSLYNDJZMH-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574708600 949498456 /nfs/dbraw/zinc/49/84/56/949498456.db2.gz XAXOSLGVFONJDS-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574708600 949498468 /nfs/dbraw/zinc/49/84/68/949498468.db2.gz XAXOSLGVFONJDS-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574119784 949502482 /nfs/dbraw/zinc/50/24/82/949502482.db2.gz JFUPDMNCXQNRPN-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574119784 949502494 /nfs/dbraw/zinc/50/24/94/949502494.db2.gz JFUPDMNCXQNRPN-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574949640 949503172 /nfs/dbraw/zinc/50/31/72/949503172.db2.gz ZHHDQCMUPQGDJN-SECBINFHSA-N -1 1 392.374 0.432 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574949640 949503197 /nfs/dbraw/zinc/50/31/97/949503197.db2.gz ZHHDQCMUPQGDJN-SECBINFHSA-N -1 1 392.374 0.432 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574708873 949504158 /nfs/dbraw/zinc/50/41/58/949504158.db2.gz XZFBBRDWLTUBJU-GHMZBOCLSA-N -1 1 382.432 0.181 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574708879 949504242 /nfs/dbraw/zinc/50/42/42/949504242.db2.gz XZFBBRDWLTUBJU-WDEREUQCSA-N -1 1 382.432 0.181 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574121411 949513037 /nfs/dbraw/zinc/51/30/37/949513037.db2.gz QBUUWQPUFYKROH-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574121411 949513055 /nfs/dbraw/zinc/51/30/55/949513055.db2.gz QBUUWQPUFYKROH-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@]1(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CCOC1 ZINC001575538215 949517420 /nfs/dbraw/zinc/51/74/20/949517420.db2.gz FBSBWAZKDHNUED-ZWKOTPCHSA-N -1 1 384.444 0.512 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574470876 949519429 /nfs/dbraw/zinc/51/94/29/949519429.db2.gz WFGVVHVTSZJOER-VXGBXAGGSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574471064 949523307 /nfs/dbraw/zinc/52/33/07/949523307.db2.gz ZGDVEDOUSDKBAF-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574122427 949525210 /nfs/dbraw/zinc/52/52/10/949525210.db2.gz WDKXAPQXMYPISL-UHFFFAOYSA-N -1 1 391.501 0.781 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711466 949534984 /nfs/dbraw/zinc/53/49/84/949534984.db2.gz HNVTWCOGXVCWFR-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711466 949535012 /nfs/dbraw/zinc/53/50/12/949535012.db2.gz HNVTWCOGXVCWFR-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576163463 949536316 /nfs/dbraw/zinc/53/63/16/949536316.db2.gz BMWRRLSQJZGEMT-HIFRSBDPSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576163463 949536329 /nfs/dbraw/zinc/53/63/29/949536329.db2.gz BMWRRLSQJZGEMT-HIFRSBDPSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574123051 949537540 /nfs/dbraw/zinc/53/75/40/949537540.db2.gz CZIQZINHQJVIMC-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574123051 949537558 /nfs/dbraw/zinc/53/75/58/949537558.db2.gz CZIQZINHQJVIMC-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163849 949540374 /nfs/dbraw/zinc/54/03/74/949540374.db2.gz CWKFQLCOYSEVTF-RYUDHWBXSA-N -1 1 386.416 0.006 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163845 949540666 /nfs/dbraw/zinc/54/06/66/949540666.db2.gz CWKFQLCOYSEVTF-NEPJUHHUSA-N -1 1 386.416 0.006 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CCOC1 ZINC001575539259 949541896 /nfs/dbraw/zinc/54/18/96/949541896.db2.gz NHIUYBGHIOBPMD-QZTJIDSGSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CCOC1 ZINC001575539259 949541909 /nfs/dbraw/zinc/54/19/09/949541909.db2.gz NHIUYBGHIOBPMD-QZTJIDSGSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872345 949543430 /nfs/dbraw/zinc/54/34/30/949543430.db2.gz IFTKAJLJRYRTQB-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872345 949543445 /nfs/dbraw/zinc/54/34/45/949543445.db2.gz IFTKAJLJRYRTQB-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575269482 949551615 /nfs/dbraw/zinc/55/16/15/949551615.db2.gz VFIOEHWYXGRZTC-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575269482 949551629 /nfs/dbraw/zinc/55/16/29/949551629.db2.gz VFIOEHWYXGRZTC-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576165327 949568826 /nfs/dbraw/zinc/56/88/26/949568826.db2.gz JQDNGKOVYVVHSW-DZGCQCFKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576165327 949568848 /nfs/dbraw/zinc/56/88/48/949568848.db2.gz JQDNGKOVYVVHSW-DZGCQCFKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711994 949569409 /nfs/dbraw/zinc/56/94/09/949569409.db2.gz PDYFUTZHADJUFX-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711994 949569422 /nfs/dbraw/zinc/56/94/22/949569422.db2.gz PDYFUTZHADJUFX-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574712011 949569512 /nfs/dbraw/zinc/56/95/12/949569512.db2.gz POVXDGJLDXFZIU-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574712011 949569522 /nfs/dbraw/zinc/56/95/22/949569522.db2.gz POVXDGJLDXFZIU-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574712009 949571727 /nfs/dbraw/zinc/57/17/27/949571727.db2.gz POVXDGJLDXFZIU-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574712009 949571751 /nfs/dbraw/zinc/57/17/51/949571751.db2.gz POVXDGJLDXFZIU-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270175 949578017 /nfs/dbraw/zinc/57/80/17/949578017.db2.gz BQCWABSGRIVGOZ-CHWSQXEVSA-N -1 1 388.476 0.981 20 0 GCADMM CC(C)C[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574125242 949585125 /nfs/dbraw/zinc/58/51/25/949585125.db2.gz OTYFOLKJTOBTTM-CQSZACIVSA-N -1 1 384.448 0.693 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575544545 949586267 /nfs/dbraw/zinc/58/62/67/949586267.db2.gz FKFUCWBDMBNQRO-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575544545 949586292 /nfs/dbraw/zinc/58/62/92/949586292.db2.gz FKFUCWBDMBNQRO-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712744 949588098 /nfs/dbraw/zinc/58/80/98/949588098.db2.gz UCIJIAGQIQQGPD-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166677 949588750 /nfs/dbraw/zinc/58/87/50/949588750.db2.gz NISBLUXKQZNCBJ-TZMCWYRMSA-N -1 1 384.444 0.812 20 0 GCADMM CC(C)C[C@H](C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125559 949589282 /nfs/dbraw/zinc/58/92/82/949589282.db2.gz STVVWVRHLNOBJH-CHWSQXEVSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574712883 949590118 /nfs/dbraw/zinc/59/01/18/949590118.db2.gz UWEBEGHWKSIBNO-YUMQZZPRSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574712883 949590136 /nfs/dbraw/zinc/59/01/36/949590136.db2.gz UWEBEGHWKSIBNO-YUMQZZPRSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712913 949590776 /nfs/dbraw/zinc/59/07/76/949590776.db2.gz VEXKIKVHSGATLT-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125854 949595402 /nfs/dbraw/zinc/59/54/02/949595402.db2.gz UJRBTRIFDXZZFR-STQMWFEESA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873889 949596354 /nfs/dbraw/zinc/59/63/54/949596354.db2.gz QSBOUIAOVJWGGM-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873889 949596370 /nfs/dbraw/zinc/59/63/70/949596370.db2.gz QSBOUIAOVJWGGM-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574476327 949596515 /nfs/dbraw/zinc/59/65/15/949596515.db2.gz GNYMGRKNMLKCFQ-RYUDHWBXSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574476327 949596532 /nfs/dbraw/zinc/59/65/32/949596532.db2.gz GNYMGRKNMLKCFQ-RYUDHWBXSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574476299 949596933 /nfs/dbraw/zinc/59/69/33/949596933.db2.gz FZSPDGGTEAFGIJ-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574476299 949596949 /nfs/dbraw/zinc/59/69/49/949596949.db2.gz FZSPDGGTEAFGIJ-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575270731 949599428 /nfs/dbraw/zinc/59/94/28/949599428.db2.gz FTAGEUCTMUBRAQ-NEPJUHHUSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H]1CCCC[C@H]1CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576167283 949604176 /nfs/dbraw/zinc/60/41/76/949604176.db2.gz CAAFHJZFGIFVFX-MNOVXSKESA-N -1 1 376.421 0.255 20 0 GCADMM C[C@@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574476730 949614133 /nfs/dbraw/zinc/61/41/33/949614133.db2.gz JHYKSHNJUSXKPV-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874757 949618759 /nfs/dbraw/zinc/61/87/59/949618759.db2.gz GNZWIJPDHLORFP-DGCLKSJQSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874757 949618772 /nfs/dbraw/zinc/61/87/72/949618772.db2.gz GNZWIJPDHLORFP-DGCLKSJQSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574476754 949619091 /nfs/dbraw/zinc/61/90/91/949619091.db2.gz JMAFOTPFCZMHJV-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](C)NC(=O)CCNC(N)=O ZINC001575271536 949619490 /nfs/dbraw/zinc/61/94/90/949619490.db2.gz KMSLJPXEEPZFCR-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](C)NC(=O)CCNC(N)=O ZINC001575271536 949619499 /nfs/dbraw/zinc/61/94/99/949619499.db2.gz KMSLJPXEEPZFCR-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874789 949620231 /nfs/dbraw/zinc/62/02/31/949620231.db2.gz GYHCSLAXDWXRKC-DGCLKSJQSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874789 949620242 /nfs/dbraw/zinc/62/02/42/949620242.db2.gz GYHCSLAXDWXRKC-DGCLKSJQSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574476756 949621237 /nfs/dbraw/zinc/62/12/37/949621237.db2.gz JMAFOTPFCZMHJV-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@]1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575547222 949623695 /nfs/dbraw/zinc/62/36/95/949623695.db2.gz WDRWADVNHGSHLK-ACJLOTCBSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574476876 949625891 /nfs/dbraw/zinc/62/58/91/949625891.db2.gz LDMRJYDUIHQVIR-NWDGAFQWSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574476876 949625902 /nfs/dbraw/zinc/62/59/02/949625902.db2.gz LDMRJYDUIHQVIR-NWDGAFQWSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574714869 949638216 /nfs/dbraw/zinc/63/82/16/949638216.db2.gz HCDHVSNDMMOPIT-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574714869 949638222 /nfs/dbraw/zinc/63/82/22/949638222.db2.gz HCDHVSNDMMOPIT-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574129321 949639193 /nfs/dbraw/zinc/63/91/93/949639193.db2.gz TYDSKMWAVIEJRO-QWHCGFSZSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575547699 949640459 /nfs/dbraw/zinc/64/04/59/949640459.db2.gz DRNHICVLOMHEFQ-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575547699 949640472 /nfs/dbraw/zinc/64/04/72/949640472.db2.gz DRNHICVLOMHEFQ-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574957955 949642225 /nfs/dbraw/zinc/64/22/25/949642225.db2.gz JZFHVCXBRXXZKS-HXFLIBJXSA-N -1 1 383.865 0.810 20 0 GCADMM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574957955 949642231 /nfs/dbraw/zinc/64/22/31/949642231.db2.gz JZFHVCXBRXXZKS-HXFLIBJXSA-N -1 1 383.865 0.810 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573814763 949647241 /nfs/dbraw/zinc/64/72/41/949647241.db2.gz FNKJHLKXIGDPDQ-STQMWFEESA-N -1 1 388.476 0.981 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168878 949652780 /nfs/dbraw/zinc/65/27/80/949652780.db2.gz CVBYMXOZMBITFF-AAEUAGOBSA-N -1 1 383.416 0.348 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168882 949652974 /nfs/dbraw/zinc/65/29/74/949652974.db2.gz CVBYMXOZMBITFF-DGCLKSJQSA-N -1 1 383.416 0.348 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575272983 949654533 /nfs/dbraw/zinc/65/45/33/949654533.db2.gz UFJSVDNWULEPNH-OLZOCXBDSA-N -1 1 381.444 0.802 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273028 949658472 /nfs/dbraw/zinc/65/84/72/949658472.db2.gz UTGDXIKRQLMOQY-GHMZBOCLSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273028 949658480 /nfs/dbraw/zinc/65/84/80/949658480.db2.gz UTGDXIKRQLMOQY-GHMZBOCLSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575273029 949660655 /nfs/dbraw/zinc/66/06/55/949660655.db2.gz UTGDXIKRQLMOQY-MNOVXSKESA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575273029 949660668 /nfs/dbraw/zinc/66/06/68/949660668.db2.gz UTGDXIKRQLMOQY-MNOVXSKESA-N -1 1 375.437 0.220 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001573816131 949669677 /nfs/dbraw/zinc/66/96/77/949669677.db2.gz OOMMJQPIEOMCRK-STQMWFEESA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCCOC1 ZINC001575552138 949674889 /nfs/dbraw/zinc/67/48/89/949674889.db2.gz AEUGQEDANCVYKV-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001574477775 949676002 /nfs/dbraw/zinc/67/60/02/949676002.db2.gz RKKDCKLNBCSSNX-CHWSQXEVSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001574477775 949676017 /nfs/dbraw/zinc/67/60/17/949676017.db2.gz RKKDCKLNBCSSNX-CHWSQXEVSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878243 949675864 /nfs/dbraw/zinc/67/58/64/949675864.db2.gz ODRFQUCXAJISML-DGCLKSJQSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878243 949675872 /nfs/dbraw/zinc/67/58/72/949675872.db2.gz ODRFQUCXAJISML-DGCLKSJQSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574958469 949676095 /nfs/dbraw/zinc/67/60/95/949676095.db2.gz KGIMGVZLUVERCP-KGYLQXTDSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574958469 949676108 /nfs/dbraw/zinc/67/61/08/949676108.db2.gz KGIMGVZLUVERCP-KGYLQXTDSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)NC(=O)CCCC(N)=O ZINC001575273864 949677972 /nfs/dbraw/zinc/67/79/72/949677972.db2.gz YOLWTUJKMNQGPF-NKWVEPMBSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)NC(=O)CCCC(N)=O ZINC001575273864 949677981 /nfs/dbraw/zinc/67/79/81/949677981.db2.gz YOLWTUJKMNQGPF-NKWVEPMBSA-N -1 1 386.869 0.937 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574132119 949679695 /nfs/dbraw/zinc/67/96/95/949679695.db2.gz QOQDFNFTBFMMHK-SFHVURJKSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574132119 949679712 /nfs/dbraw/zinc/67/97/12/949679712.db2.gz QOQDFNFTBFMMHK-SFHVURJKSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1COCCO1 ZINC001573816379 949680519 /nfs/dbraw/zinc/68/05/19/949680519.db2.gz RQEGJFBJKUTXBV-VXGBXAGGSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1COCCO1 ZINC001573816379 949680529 /nfs/dbraw/zinc/68/05/29/949680529.db2.gz RQEGJFBJKUTXBV-VXGBXAGGSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](C)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576169524 949681511 /nfs/dbraw/zinc/68/15/11/949681511.db2.gz YNRYAMRDCIOAHG-NEPJUHHUSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](C)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576169524 949681523 /nfs/dbraw/zinc/68/15/23/949681523.db2.gz YNRYAMRDCIOAHG-NEPJUHHUSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573816726 949686262 /nfs/dbraw/zinc/68/62/62/949686262.db2.gz UYFMFEQZKQBLQU-KZULUSFZSA-N -1 1 388.476 0.573 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CCCOC1 ZINC001575552911 949689463 /nfs/dbraw/zinc/68/94/63/949689463.db2.gz KYESLHZPCJDPPP-JCGVRSQUSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CCCOC1 ZINC001575552911 949689478 /nfs/dbraw/zinc/68/94/78/949689478.db2.gz KYESLHZPCJDPPP-JCGVRSQUSA-N -1 1 384.444 0.368 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CN1CCCC1=O ZINC001573817159 949695634 /nfs/dbraw/zinc/69/56/34/949695634.db2.gz XUTZTMIXXZCAGM-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CN1CCCC1=O ZINC001573817159 949695644 /nfs/dbraw/zinc/69/56/44/949695644.db2.gz XUTZTMIXXZCAGM-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958957 949698078 /nfs/dbraw/zinc/69/80/78/949698078.db2.gz ORIVWCDJDBQLMS-FPMFFAJLSA-N -1 1 386.460 0.884 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958957 949698088 /nfs/dbraw/zinc/69/80/88/949698088.db2.gz ORIVWCDJDBQLMS-FPMFFAJLSA-N -1 1 386.460 0.884 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1ccnn1 ZINC001573817225 949700279 /nfs/dbraw/zinc/70/02/79/949700279.db2.gz YXDQYWLHSWSWIQ-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1ccnn1 ZINC001573817225 949700298 /nfs/dbraw/zinc/70/02/98/949700298.db2.gz YXDQYWLHSWSWIQ-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574959051 949702678 /nfs/dbraw/zinc/70/26/78/949702678.db2.gz PWFWEZWKCVCOQX-KGYLQXTDSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574959051 949702692 /nfs/dbraw/zinc/70/26/92/949702692.db2.gz PWFWEZWKCVCOQX-KGYLQXTDSA-N -1 1 382.432 0.135 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001573817709 949704456 /nfs/dbraw/zinc/70/44/56/949704456.db2.gz AJVRGRNZNWQMGB-SECBINFHSA-N -1 1 391.823 0.977 20 0 GCADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170048 949705730 /nfs/dbraw/zinc/70/57/30/949705730.db2.gz IWXUSKKNLZKTFI-CHWSQXEVSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170050 949706027 /nfs/dbraw/zinc/70/60/27/949706027.db2.gz IWXUSKKNLZKTFI-OLZOCXBDSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170252 949712914 /nfs/dbraw/zinc/71/29/14/949712914.db2.gz JQKOJSMVMGSDHE-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170252 949712926 /nfs/dbraw/zinc/71/29/26/949712926.db2.gz JQKOJSMVMGSDHE-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573818042 949713773 /nfs/dbraw/zinc/71/37/73/949713773.db2.gz FIBKNOOMKAUSMZ-ZYHUDNBSSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573818042 949713782 /nfs/dbraw/zinc/71/37/82/949713782.db2.gz FIBKNOOMKAUSMZ-ZYHUDNBSSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573818025 949714553 /nfs/dbraw/zinc/71/45/53/949714553.db2.gz FCYBJOUDTUIURT-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573818025 949714569 /nfs/dbraw/zinc/71/45/69/949714569.db2.gz FCYBJOUDTUIURT-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574959849 949718114 /nfs/dbraw/zinc/71/81/14/949718114.db2.gz VIBVTFJCANKUST-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574478844 949723116 /nfs/dbraw/zinc/72/31/16/949723116.db2.gz BJTFICZQMDUDCO-JSGCOSHPSA-N -1 1 386.460 0.687 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574134620 949723853 /nfs/dbraw/zinc/72/38/53/949723853.db2.gz HYUUARQPSWJTNS-UONOGXRCSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574134620 949723876 /nfs/dbraw/zinc/72/38/76/949723876.db2.gz HYUUARQPSWJTNS-UONOGXRCSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574960787 949727406 /nfs/dbraw/zinc/72/74/06/949727406.db2.gz XSZFMOOQHHDHQU-KGYLQXTDSA-N -1 1 382.432 0.135 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)C1CC1 ZINC001573818330 949732477 /nfs/dbraw/zinc/73/24/77/949732477.db2.gz LAXAXWCMBIUCGB-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)C1CC1 ZINC001573818330 949732497 /nfs/dbraw/zinc/73/24/97/949732497.db2.gz LAXAXWCMBIUCGB-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001575558020 949733188 /nfs/dbraw/zinc/73/31/88/949733188.db2.gz MRFPVJNYKVQNQU-LBPRGKRZSA-N -1 1 388.476 0.838 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573818515 949738013 /nfs/dbraw/zinc/73/80/13/949738013.db2.gz MZAKPUSDLUMKPW-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573818515 949738030 /nfs/dbraw/zinc/73/80/30/949738030.db2.gz MZAKPUSDLUMKPW-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575558769 949740898 /nfs/dbraw/zinc/74/08/98/949740898.db2.gz RVMFXMMOUZHIAV-SGTLLEGYSA-N -1 1 388.476 0.838 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573818737 949741130 /nfs/dbraw/zinc/74/11/30/949741130.db2.gz PAWLXVWRAYLSPL-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573818737 949741148 /nfs/dbraw/zinc/74/11/48/949741148.db2.gz PAWLXVWRAYLSPL-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574136341 949742029 /nfs/dbraw/zinc/74/20/29/949742029.db2.gz ONPZMHCEHXURSV-ZIAGYGMSSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574136341 949742046 /nfs/dbraw/zinc/74/20/46/949742046.db2.gz ONPZMHCEHXURSV-ZIAGYGMSSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCOC1 ZINC001575558889 949745846 /nfs/dbraw/zinc/74/58/46/949745846.db2.gz TUPQLQLUEVBISQ-VBHSOAQHSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCOC1 ZINC001575558889 949745855 /nfs/dbraw/zinc/74/58/55/949745855.db2.gz TUPQLQLUEVBISQ-VBHSOAQHSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574963361 949750149 /nfs/dbraw/zinc/75/01/49/949750149.db2.gz ITNRZPCHPPAZIL-NKWVEPMBSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882087 949753272 /nfs/dbraw/zinc/75/32/72/949753272.db2.gz GCEFGYUMMFCQIQ-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882087 949753291 /nfs/dbraw/zinc/75/32/91/949753291.db2.gz GCEFGYUMMFCQIQ-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574480446 949754209 /nfs/dbraw/zinc/75/42/09/949754209.db2.gz ILYRGNXNANQZRU-TZMCWYRMSA-N -1 1 379.428 0.680 20 0 GCADMM C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)CCOC1 ZINC001575559372 949755544 /nfs/dbraw/zinc/75/55/44/949755544.db2.gz BUJPEYWWLBDJMX-OBQNUFEDSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)CCOC1 ZINC001575559372 949755555 /nfs/dbraw/zinc/75/55/55/949755555.db2.gz BUJPEYWWLBDJMX-OBQNUFEDSA-N -1 1 384.444 0.923 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001573819845 949757821 /nfs/dbraw/zinc/75/78/21/949757821.db2.gz WLKQCWNBFFJCGP-WCQYABFASA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001573819845 949757836 /nfs/dbraw/zinc/75/78/36/949757836.db2.gz WLKQCWNBFFJCGP-WCQYABFASA-N -1 1 390.448 0.405 20 0 GCADMM CCCCN(C(=O)CNC(C)(C)C(=O)[O-])c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001589648094 949759865 /nfs/dbraw/zinc/75/98/65/949759865.db2.gz NGNGPCGGAYLUBQ-UHFFFAOYSA-N -1 1 397.476 0.773 20 0 GCADMM C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCOC1 ZINC001575559714 949763977 /nfs/dbraw/zinc/76/39/77/949763977.db2.gz DUPCMXYUOOXKDD-WCMHJXIUSA-N -1 1 384.444 0.699 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cncn1 ZINC001573820304 949764417 /nfs/dbraw/zinc/76/44/17/949764417.db2.gz XFTXCOPCMRMVNP-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cncn1 ZINC001573820304 949764436 /nfs/dbraw/zinc/76/44/36/949764436.db2.gz XFTXCOPCMRMVNP-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)CCOC1 ZINC001575559763 949766341 /nfs/dbraw/zinc/76/63/41/949766341.db2.gz GDMAXWSGCKYQPE-GUYCJALGSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)CCOC1 ZINC001575559763 949766368 /nfs/dbraw/zinc/76/63/68/949766368.db2.gz GDMAXWSGCKYQPE-GUYCJALGSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@H](CC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574481172 949766628 /nfs/dbraw/zinc/76/66/28/949766628.db2.gz NATJXVQZWUKFNL-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574481172 949766650 /nfs/dbraw/zinc/76/66/50/949766650.db2.gz NATJXVQZWUKFNL-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171574 949772068 /nfs/dbraw/zinc/77/20/68/949772068.db2.gz RTUMHGTVSYHXHQ-DGCLKSJQSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171574 949772081 /nfs/dbraw/zinc/77/20/81/949772081.db2.gz RTUMHGTVSYHXHQ-DGCLKSJQSA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574964321 949772245 /nfs/dbraw/zinc/77/22/45/949772245.db2.gz UADJQJYYFXXPPL-RNFRBKRXSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574964321 949772262 /nfs/dbraw/zinc/77/22/62/949772262.db2.gz UADJQJYYFXXPPL-RNFRBKRXSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574481371 949774692 /nfs/dbraw/zinc/77/46/92/949774692.db2.gz OXGNAKHROQBTFU-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574481371 949774701 /nfs/dbraw/zinc/77/47/01/949774701.db2.gz OXGNAKHROQBTFU-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576171808 949781790 /nfs/dbraw/zinc/78/17/90/949781790.db2.gz SRBRVRKJJBUJII-CMPLNLGQSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576171808 949781803 /nfs/dbraw/zinc/78/18/03/949781803.db2.gz SRBRVRKJJBUJII-CMPLNLGQSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171828 949782164 /nfs/dbraw/zinc/78/21/64/949782164.db2.gz SZKKXQYKACNNEH-QWHCGFSZSA-N -1 1 382.432 0.014 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171797 949783172 /nfs/dbraw/zinc/78/31/72/949783172.db2.gz SLINXXXZEACZLB-JSGCOSHPSA-N -1 1 382.428 0.953 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574138077 949783003 /nfs/dbraw/zinc/78/30/03/949783003.db2.gz ZVQMEINUVKABKU-QWHCGFSZSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574138077 949783028 /nfs/dbraw/zinc/78/30/28/949783028.db2.gz ZVQMEINUVKABKU-QWHCGFSZSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718559 949786396 /nfs/dbraw/zinc/78/63/96/949786396.db2.gz ZDGRBNRLRJPLJI-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718559 949786444 /nfs/dbraw/zinc/78/64/44/949786444.db2.gz ZDGRBNRLRJPLJI-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574138448 949790390 /nfs/dbraw/zinc/79/03/90/949790390.db2.gz CMKBKJWFDMQNOB-ACJLOTCBSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574138448 949790411 /nfs/dbraw/zinc/79/04/11/949790411.db2.gz CMKBKJWFDMQNOB-ACJLOTCBSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718591 949790698 /nfs/dbraw/zinc/79/06/98/949790698.db2.gz ZSTOGKDQZYCZQV-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718591 949790708 /nfs/dbraw/zinc/79/07/08/949790708.db2.gz ZSTOGKDQZYCZQV-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CN(C)C(=O)CCOC1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574720525 949791278 /nfs/dbraw/zinc/79/12/78/949791278.db2.gz BMZCOHXOSCGXSK-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CN(C)C(=O)CCOC1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574720525 949791306 /nfs/dbraw/zinc/79/13/06/949791306.db2.gz BMZCOHXOSCGXSK-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@]1(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nnn[n-]2)C3)CCOC1 ZINC001575560553 949794347 /nfs/dbraw/zinc/79/43/47/949794347.db2.gz ROIHLZATDVPOEY-BCFKKSPQSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@]1(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nn[n-]n2)C3)CCOC1 ZINC001575560553 949794358 /nfs/dbraw/zinc/79/43/58/949794358.db2.gz ROIHLZATDVPOEY-BCFKKSPQSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574965262 949794525 /nfs/dbraw/zinc/79/45/25/949794525.db2.gz DWOWCYKSKUXRPM-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574965262 949794537 /nfs/dbraw/zinc/79/45/37/949794537.db2.gz DWOWCYKSKUXRPM-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574720572 949795912 /nfs/dbraw/zinc/79/59/12/949795912.db2.gz CVWAXQJMXVLSRM-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)CCOC1 ZINC001575560817 949796544 /nfs/dbraw/zinc/79/65/44/949796544.db2.gz VCLAAWIWADZBQR-PXAZEXFGSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)CCOC1 ZINC001575560817 949796561 /nfs/dbraw/zinc/79/65/61/949796561.db2.gz VCLAAWIWADZBQR-PXAZEXFGSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001576172286 949796661 /nfs/dbraw/zinc/79/66/61/949796661.db2.gz WCADSYMYDMSHLZ-NSHDSACASA-N -1 1 379.446 0.189 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575281089 949797758 /nfs/dbraw/zinc/79/77/58/949797758.db2.gz CWFMKTHZROJNMQ-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575281089 949797780 /nfs/dbraw/zinc/79/77/80/949797780.db2.gz CWFMKTHZROJNMQ-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCNC1=O ZINC001573822619 949798129 /nfs/dbraw/zinc/79/81/29/949798129.db2.gz KSDIJRBQKYWNTB-QWRGUYRKSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573822619 949798156 /nfs/dbraw/zinc/79/81/56/949798156.db2.gz KSDIJRBQKYWNTB-QWRGUYRKSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC23CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)CCOC1 ZINC001575561069 949805379 /nfs/dbraw/zinc/80/53/79/949805379.db2.gz YXFOWUNIBDTJAE-SUMWQHHRSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CC23CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)CCOC1 ZINC001575561069 949805403 /nfs/dbraw/zinc/80/54/03/949805403.db2.gz YXFOWUNIBDTJAE-SUMWQHHRSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172402 949809059 /nfs/dbraw/zinc/80/90/59/949809059.db2.gz WRLHEOLVBIVFQD-WCQYABFASA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172402 949809083 /nfs/dbraw/zinc/80/90/83/949809083.db2.gz WRLHEOLVBIVFQD-WCQYABFASA-N -1 1 387.448 0.351 20 0 GCADMM C[C@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575281578 949811026 /nfs/dbraw/zinc/81/10/26/949811026.db2.gz HFFKIMQOCUNUIA-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575281578 949811047 /nfs/dbraw/zinc/81/10/47/949811047.db2.gz HFFKIMQOCUNUIA-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574481906 949811451 /nfs/dbraw/zinc/81/14/51/949811451.db2.gz XIQNZHZZUUMKLL-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574481906 949811472 /nfs/dbraw/zinc/81/14/72/949811472.db2.gz XIQNZHZZUUMKLL-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574721178 949811726 /nfs/dbraw/zinc/81/17/26/949811726.db2.gz JZWYFOHNTNZATR-ZDUSSCGKSA-N -1 1 381.444 0.755 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575281800 949815308 /nfs/dbraw/zinc/81/53/08/949815308.db2.gz HFFKIMQOCUNUIA-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575281800 949815325 /nfs/dbraw/zinc/81/53/25/949815325.db2.gz HFFKIMQOCUNUIA-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575561902 949816835 /nfs/dbraw/zinc/81/68/35/949816835.db2.gz DKJJBAJNRNLNFE-STQMWFEESA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883639 949823231 /nfs/dbraw/zinc/82/32/31/949823231.db2.gz RXAGUGHJAJXVNA-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883639 949823255 /nfs/dbraw/zinc/82/32/55/949823255.db2.gz RXAGUGHJAJXVNA-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574721856 949826767 /nfs/dbraw/zinc/82/67/67/949826767.db2.gz ONJREGLOMFKEJZ-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574721856 949826788 /nfs/dbraw/zinc/82/67/88/949826788.db2.gz ONJREGLOMFKEJZ-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574966022 949831276 /nfs/dbraw/zinc/83/12/76/949831276.db2.gz RSIIOWWGMCRXJI-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574966022 949831293 /nfs/dbraw/zinc/83/12/93/949831293.db2.gz RSIIOWWGMCRXJI-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575883983 949836408 /nfs/dbraw/zinc/83/64/08/949836408.db2.gz UBSMBUKPZKFCMB-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574966275 949840271 /nfs/dbraw/zinc/84/02/71/949840271.db2.gz VZLWREAOHCYAHF-IYQDAUBNSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574966275 949840296 /nfs/dbraw/zinc/84/02/96/949840296.db2.gz VZLWREAOHCYAHF-IYQDAUBNSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](CN(C)C(=O)CCOC1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722756 949847808 /nfs/dbraw/zinc/84/78/08/949847808.db2.gz WXLLYNNFDUGFKQ-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CN(C)C(=O)CCOC1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722756 949847833 /nfs/dbraw/zinc/84/78/33/949847833.db2.gz WXLLYNNFDUGFKQ-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574483961 949848123 /nfs/dbraw/zinc/84/81/23/949848123.db2.gz AONXUJZIRRPILP-QWHCGFSZSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575563936 949848445 /nfs/dbraw/zinc/84/84/45/949848445.db2.gz NDIUTNCRBGWREU-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575563936 949848464 /nfs/dbraw/zinc/84/84/64/949848464.db2.gz NDIUTNCRBGWREU-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575282962 949850565 /nfs/dbraw/zinc/85/05/65/949850565.db2.gz CXDFEFTZHLIWCH-OLZOCXBDSA-N -1 1 381.444 0.520 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574966486 949851545 /nfs/dbraw/zinc/85/15/45/949851545.db2.gz ZLTNTBZRWMVAIC-SSDOTTSWSA-N -1 1 378.318 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574966736 949854415 /nfs/dbraw/zinc/85/44/15/949854415.db2.gz BPCFDPUSGCWKKQ-SNVBAGLBSA-N -1 1 382.432 0.357 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574966736 949854434 /nfs/dbraw/zinc/85/44/34/949854434.db2.gz BPCFDPUSGCWKKQ-SNVBAGLBSA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576177677 949855330 /nfs/dbraw/zinc/85/53/30/949855330.db2.gz AIKNVDIGXMWKRG-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576177677 949855350 /nfs/dbraw/zinc/85/53/50/949855350.db2.gz AIKNVDIGXMWKRG-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576177675 949856451 /nfs/dbraw/zinc/85/64/51/949856451.db2.gz AIKNVDIGXMWKRG-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576177675 949856469 /nfs/dbraw/zinc/85/64/69/949856469.db2.gz AIKNVDIGXMWKRG-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177886 949864106 /nfs/dbraw/zinc/86/41/06/949864106.db2.gz CWWJTCLAPMCUFA-ONGXEEELSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1[O-] ZINC001575885628 949870445 /nfs/dbraw/zinc/87/04/45/949870445.db2.gz KKZMGUBSCSXHSL-GXSJLCMTSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576177986 949872652 /nfs/dbraw/zinc/87/26/52/949872652.db2.gz FIADZRQKIMIEOQ-WDEREUQCSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576177986 949872674 /nfs/dbraw/zinc/87/26/74/949872674.db2.gz FIADZRQKIMIEOQ-WDEREUQCSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574724702 949875599 /nfs/dbraw/zinc/87/55/99/949875599.db2.gz JOUPRXRZIDKMDX-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574724702 949875619 /nfs/dbraw/zinc/87/56/19/949875619.db2.gz JOUPRXRZIDKMDX-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283600 949876880 /nfs/dbraw/zinc/87/68/80/949876880.db2.gz QFUJUHQEFHZPPP-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283600 949876904 /nfs/dbraw/zinc/87/69/04/949876904.db2.gz QFUJUHQEFHZPPP-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575886575 949887788 /nfs/dbraw/zinc/88/77/88/949887788.db2.gz MYPXCADDFVEIGM-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178473 949887952 /nfs/dbraw/zinc/88/79/52/949887952.db2.gz BQCIGTOTCAQJMP-GWCFXTLKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178473 949887974 /nfs/dbraw/zinc/88/79/74/949887974.db2.gz BQCIGTOTCAQJMP-GWCFXTLKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001574484581 949890144 /nfs/dbraw/zinc/89/01/44/949890144.db2.gz KHBYKHWJVMSUPV-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001574484581 949890162 /nfs/dbraw/zinc/89/01/62/949890162.db2.gz KHBYKHWJVMSUPV-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573825703 949891290 /nfs/dbraw/zinc/89/12/90/949891290.db2.gz BGQYOPPESBITCZ-GXFFZTMASA-N -1 1 391.432 0.087 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574968335 949891996 /nfs/dbraw/zinc/89/19/96/949891996.db2.gz NWLZSUNTCPTATH-SNVBAGLBSA-N -1 1 382.432 0.134 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)n21 ZINC001576178744 949895047 /nfs/dbraw/zinc/89/50/47/949895047.db2.gz IOULPVIZSQWZNO-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)n21 ZINC001576178744 949895074 /nfs/dbraw/zinc/89/50/74/949895074.db2.gz IOULPVIZSQWZNO-LLVKDONJSA-N -1 1 382.432 0.617 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178801 949898056 /nfs/dbraw/zinc/89/80/56/949898056.db2.gz CVJCNQIDKTVHLV-KOLCDFICSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178801 949898073 /nfs/dbraw/zinc/89/80/73/949898073.db2.gz CVJCNQIDKTVHLV-KOLCDFICSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574968388 949898087 /nfs/dbraw/zinc/89/80/87/949898087.db2.gz OVSXBSGCTHCHQC-JTQLQIEISA-N -1 1 382.432 0.134 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574968388 949898106 /nfs/dbraw/zinc/89/81/06/949898106.db2.gz OVSXBSGCTHCHQC-JTQLQIEISA-N -1 1 382.432 0.134 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)CCOC1 ZINC001575568715 949898649 /nfs/dbraw/zinc/89/86/49/949898649.db2.gz BXPNHWGFQFAHFS-UGSOOPFHSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)CCOC1 ZINC001575568715 949898668 /nfs/dbraw/zinc/89/86/68/949898668.db2.gz BXPNHWGFQFAHFS-UGSOOPFHSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)CCOC1 ZINC001575568713 949900389 /nfs/dbraw/zinc/90/03/89/949900389.db2.gz BXPNHWGFQFAHFS-FZKQIMNGSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)CCOC1 ZINC001575568713 949900409 /nfs/dbraw/zinc/90/04/09/949900409.db2.gz BXPNHWGFQFAHFS-FZKQIMNGSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179093 949906416 /nfs/dbraw/zinc/90/64/16/949906416.db2.gz DOCIBFIGMQYVED-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179093 949906467 /nfs/dbraw/zinc/90/64/67/949906467.db2.gz DOCIBFIGMQYVED-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574968704 949907435 /nfs/dbraw/zinc/90/74/35/949907435.db2.gz RRFUSZIAXMGIRA-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284572 949911418 /nfs/dbraw/zinc/91/14/18/949911418.db2.gz JQLHJMHBSLEBDO-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284572 949911436 /nfs/dbraw/zinc/91/14/36/949911436.db2.gz JQLHJMHBSLEBDO-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574144520 949914005 /nfs/dbraw/zinc/91/40/05/949914005.db2.gz OIXKXBTXIAJTGO-ZIAGYGMSSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574725877 949913958 /nfs/dbraw/zinc/91/39/58/949913958.db2.gz CVYAERGFYVNUSN-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574725877 949913980 /nfs/dbraw/zinc/91/39/80/949913980.db2.gz CVYAERGFYVNUSN-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574968907 949916500 /nfs/dbraw/zinc/91/65/00/949916500.db2.gz VJFXFKPZSVCFER-JTQLQIEISA-N -1 1 382.432 0.134 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574968907 949916513 /nfs/dbraw/zinc/91/65/13/949916513.db2.gz VJFXFKPZSVCFER-JTQLQIEISA-N -1 1 382.432 0.134 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576179508 949916933 /nfs/dbraw/zinc/91/69/33/949916933.db2.gz AGBZAFMPYRWCEJ-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574969027 949925324 /nfs/dbraw/zinc/92/53/24/949925324.db2.gz YGVPTMUFIYXKPQ-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574969027 949925339 /nfs/dbraw/zinc/92/53/39/949925339.db2.gz YGVPTMUFIYXKPQ-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180042 949932640 /nfs/dbraw/zinc/93/26/40/949932640.db2.gz GTDMFPQHUPQRFQ-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180042 949932658 /nfs/dbraw/zinc/93/26/58/949932658.db2.gz GTDMFPQHUPQRFQ-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CCOC1 ZINC001575570191 949934259 /nfs/dbraw/zinc/93/42/59/949934259.db2.gz QDGIPLQKTUZMQG-SCLBCKFNSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CCOC1 ZINC001575570191 949934276 /nfs/dbraw/zinc/93/42/76/949934276.db2.gz QDGIPLQKTUZMQG-SCLBCKFNSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575889800 949937078 /nfs/dbraw/zinc/93/70/78/949937078.db2.gz TYPGLKIQQSHSGF-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575889800 949937094 /nfs/dbraw/zinc/93/70/94/949937094.db2.gz TYPGLKIQQSHSGF-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM CC(C)(C)/C=C\C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573828356 949937456 /nfs/dbraw/zinc/93/74/56/949937456.db2.gz RPQWXOFLHFXXHQ-XQRVVYSFSA-N -1 1 386.460 0.446 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575285298 949943222 /nfs/dbraw/zinc/94/32/22/949943222.db2.gz MMXMDOZGPXSDGT-NWDGAFQWSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575285298 949943240 /nfs/dbraw/zinc/94/32/40/949943240.db2.gz MMXMDOZGPXSDGT-NWDGAFQWSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726580 949945786 /nfs/dbraw/zinc/94/57/86/949945786.db2.gz KHTYTOCFZPZMMA-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726580 949945804 /nfs/dbraw/zinc/94/58/04/949945804.db2.gz KHTYTOCFZPZMMA-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)n21 ZINC001576180253 949950336 /nfs/dbraw/zinc/95/03/36/949950336.db2.gz OCFQUGQEZBUUEY-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)n21 ZINC001576180253 949950355 /nfs/dbraw/zinc/95/03/55/949950355.db2.gz OCFQUGQEZBUUEY-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180535 949958958 /nfs/dbraw/zinc/95/89/58/949958958.db2.gz FBBKCRQTGBXBTF-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180535 949958980 /nfs/dbraw/zinc/95/89/80/949958980.db2.gz FBBKCRQTGBXBTF-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180539 949962108 /nfs/dbraw/zinc/96/21/08/949962108.db2.gz FBBKCRQTGBXBTF-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180539 949962131 /nfs/dbraw/zinc/96/21/31/949962131.db2.gz FBBKCRQTGBXBTF-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574489343 949963597 /nfs/dbraw/zinc/96/35/97/949963597.db2.gz IVKPYCJTZQGQFX-SCZZXKLOSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180598 949964664 /nfs/dbraw/zinc/96/46/64/949964664.db2.gz PCVQOWWEYWLRDK-VXGBXAGGSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180598 949964681 /nfs/dbraw/zinc/96/46/81/949964681.db2.gz PCVQOWWEYWLRDK-VXGBXAGGSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285838 949965511 /nfs/dbraw/zinc/96/55/11/949965511.db2.gz RJIKGASIUTVSHJ-RYUDHWBXSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285838 949965532 /nfs/dbraw/zinc/96/55/32/949965532.db2.gz RJIKGASIUTVSHJ-RYUDHWBXSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574489724 949969833 /nfs/dbraw/zinc/96/98/33/949969833.db2.gz LLKNGKWDXIUVGM-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574489724 949969853 /nfs/dbraw/zinc/96/98/53/949969853.db2.gz LLKNGKWDXIUVGM-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180886 949975271 /nfs/dbraw/zinc/97/52/71/949975271.db2.gz KBJBJCLMXVQPJA-PWSUYJOCSA-N -1 1 384.404 0.205 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180906 949975634 /nfs/dbraw/zinc/97/56/34/949975634.db2.gz FYZQUUIBUOZQRT-OCCSQVGLSA-N -1 1 384.444 0.669 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180947 949980104 /nfs/dbraw/zinc/98/01/04/949980104.db2.gz KJUANXFSPRJGCY-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180947 949980125 /nfs/dbraw/zinc/98/01/25/949980125.db2.gz KJUANXFSPRJGCY-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574728493 949990019 /nfs/dbraw/zinc/99/00/19/949990019.db2.gz BKEQVQPQTNGXGJ-JTQLQIEISA-N -1 1 388.382 0.858 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574490397 949990601 /nfs/dbraw/zinc/99/06/01/949990601.db2.gz RBOQIWYQRNMVGE-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574490397 949990616 /nfs/dbraw/zinc/99/06/16/949990616.db2.gz RBOQIWYQRNMVGE-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574490411 949992099 /nfs/dbraw/zinc/99/20/99/949992099.db2.gz REYTYMRKVGZLEZ-HZSPNIEDSA-N -1 1 381.444 0.790 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575573301 949993546 /nfs/dbraw/zinc/99/35/46/949993546.db2.gz LNLPXZNRSNZVTI-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575573301 949993563 /nfs/dbraw/zinc/99/35/63/949993563.db2.gz LNLPXZNRSNZVTI-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)nc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891274 949994092 /nfs/dbraw/zinc/99/40/92/949994092.db2.gz HFFQSCFFOJKQAX-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001575289657 950000965 /nfs/dbraw/zinc/00/09/65/950000965.db2.gz BAEONCMOBBFRBZ-NWDGAFQWSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001575289657 950000985 /nfs/dbraw/zinc/00/09/85/950000985.db2.gz BAEONCMOBBFRBZ-NWDGAFQWSA-N -1 1 384.448 0.982 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574490644 950005674 /nfs/dbraw/zinc/00/56/74/950005674.db2.gz WPYWPHMODBRAPN-AVGNSLFASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574490644 950005691 /nfs/dbraw/zinc/00/56/91/950005691.db2.gz WPYWPHMODBRAPN-AVGNSLFASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181760 950020592 /nfs/dbraw/zinc/02/05/92/950020592.db2.gz MQEAGDCLLRCMLA-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181760 950020612 /nfs/dbraw/zinc/02/06/12/950020612.db2.gz MQEAGDCLLRCMLA-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@]1(C(=O)NC[C@H](CO)Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001575574526 950022496 /nfs/dbraw/zinc/02/24/96/950022496.db2.gz VVADLQQJOZXZFU-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575574582 950024972 /nfs/dbraw/zinc/02/49/72/950024972.db2.gz WZWANOHXLFRMKQ-UGSOOPFHSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575574582 950024992 /nfs/dbraw/zinc/02/49/92/950024992.db2.gz WZWANOHXLFRMKQ-UGSOOPFHSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181870 950025341 /nfs/dbraw/zinc/02/53/41/950025341.db2.gz NAHJABJIJIFDLC-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181870 950025363 /nfs/dbraw/zinc/02/53/63/950025363.db2.gz NAHJABJIJIFDLC-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccncc1 ZINC001574491278 950027281 /nfs/dbraw/zinc/02/72/81/950027281.db2.gz BSKNOQAPMDIAMH-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181945 950027594 /nfs/dbraw/zinc/02/75/94/950027594.db2.gz NFAXZTPJECHONI-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccncc1 ZINC001574491278 950027306 /nfs/dbraw/zinc/02/73/06/950027306.db2.gz BSKNOQAPMDIAMH-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181945 950027611 /nfs/dbraw/zinc/02/76/11/950027611.db2.gz NFAXZTPJECHONI-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001574491290 950028168 /nfs/dbraw/zinc/02/81/68/950028168.db2.gz BYAXDJMFTWFMAA-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574491290 950028187 /nfs/dbraw/zinc/02/81/87/950028187.db2.gz BYAXDJMFTWFMAA-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574730577 950032229 /nfs/dbraw/zinc/03/22/29/950032229.db2.gz AEZKCNOSFZRMLD-AAEUAGOBSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574730577 950032245 /nfs/dbraw/zinc/03/22/45/950032245.db2.gz AEZKCNOSFZRMLD-AAEUAGOBSA-N -1 1 387.448 0.315 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574491613 950039811 /nfs/dbraw/zinc/03/98/11/950039811.db2.gz DXMWAMKWCFLYQW-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892060 950051369 /nfs/dbraw/zinc/05/13/69/950051369.db2.gz RATFASBFOPUPCU-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892060 950051393 /nfs/dbraw/zinc/05/13/93/950051393.db2.gz RATFASBFOPUPCU-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576182406 950052096 /nfs/dbraw/zinc/05/20/96/950052096.db2.gz ZNLNXGKQFGDINU-WDEREUQCSA-N -1 1 382.432 0.403 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574491834 950053663 /nfs/dbraw/zinc/05/36/63/950053663.db2.gz GRSTUZFXLAYSKH-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575892116 950054035 /nfs/dbraw/zinc/05/40/35/950054035.db2.gz RPNIGLAIDSYVSJ-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575892116 950054056 /nfs/dbraw/zinc/05/40/56/950054056.db2.gz RPNIGLAIDSYVSJ-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182502 950054431 /nfs/dbraw/zinc/05/44/31/950054431.db2.gz MNABNYKWPPVKFY-NWDGAFQWSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182502 950054443 /nfs/dbraw/zinc/05/44/43/950054443.db2.gz MNABNYKWPPVKFY-NWDGAFQWSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574492025 950055611 /nfs/dbraw/zinc/05/56/11/950055611.db2.gz IHPHCTMAYCXWAP-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574492025 950055633 /nfs/dbraw/zinc/05/56/33/950055633.db2.gz IHPHCTMAYCXWAP-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182632 950058560 /nfs/dbraw/zinc/05/85/60/950058560.db2.gz OUAIHFDGUVRWQZ-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182632 950058582 /nfs/dbraw/zinc/05/85/82/950058582.db2.gz OUAIHFDGUVRWQZ-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892208 950059142 /nfs/dbraw/zinc/05/91/42/950059142.db2.gz UKADWKSLSJFDLI-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892208 950059159 /nfs/dbraw/zinc/05/91/59/950059159.db2.gz UKADWKSLSJFDLI-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182575 950061659 /nfs/dbraw/zinc/06/16/59/950061659.db2.gz ORNGIXPVPHDAJD-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182575 950061684 /nfs/dbraw/zinc/06/16/84/950061684.db2.gz ORNGIXPVPHDAJD-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182936 950068845 /nfs/dbraw/zinc/06/88/45/950068845.db2.gz QAJSUFIXKFKMNG-MWLCHTKSSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182936 950068868 /nfs/dbraw/zinc/06/88/68/950068868.db2.gz QAJSUFIXKFKMNG-MWLCHTKSSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cncn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732456 950070650 /nfs/dbraw/zinc/07/06/50/950070650.db2.gz IPHRVETUAKCWFL-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182930 950071132 /nfs/dbraw/zinc/07/11/32/950071132.db2.gz PZOKKMLKCQAHJU-ONGXEEELSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182924 950071901 /nfs/dbraw/zinc/07/19/01/950071901.db2.gz PZOKKMLKCQAHJU-GXSJLCMTSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575893614 950089560 /nfs/dbraw/zinc/08/95/60/950089560.db2.gz AXHBDNBYSLZDST-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575893614 950089582 /nfs/dbraw/zinc/08/95/82/950089582.db2.gz AXHBDNBYSLZDST-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733031 950092806 /nfs/dbraw/zinc/09/28/06/950092806.db2.gz QHDJZINSJXDYDB-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733031 950092831 /nfs/dbraw/zinc/09/28/31/950092831.db2.gz QHDJZINSJXDYDB-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183728 950101139 /nfs/dbraw/zinc/10/11/39/950101139.db2.gz TXTSRASLUFHKAR-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183728 950101148 /nfs/dbraw/zinc/10/11/48/950101148.db2.gz TXTSRASLUFHKAR-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573837375 950108410 /nfs/dbraw/zinc/10/84/10/950108410.db2.gz YRKLBPJCTKDBLL-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573837375 950108427 /nfs/dbraw/zinc/10/84/27/950108427.db2.gz YRKLBPJCTKDBLL-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574492992 950110998 /nfs/dbraw/zinc/11/09/98/950110998.db2.gz QDZORJVVWHUKLQ-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574492992 950111020 /nfs/dbraw/zinc/11/10/20/950111020.db2.gz QDZORJVVWHUKLQ-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184095 950112447 /nfs/dbraw/zinc/11/24/47/950112447.db2.gz TWLJLHABOXXNME-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184095 950112457 /nfs/dbraw/zinc/11/24/57/950112457.db2.gz TWLJLHABOXXNME-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H](CC(=O)NC1(CO)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574493000 950113176 /nfs/dbraw/zinc/11/31/76/950113176.db2.gz QFLKEFOECXAQGZ-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)NC1(CO)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574493000 950113201 /nfs/dbraw/zinc/11/32/01/950113201.db2.gz QFLKEFOECXAQGZ-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574493029 950115053 /nfs/dbraw/zinc/11/50/53/950115053.db2.gz QSGXTKHSTSOMNL-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184160 950119448 /nfs/dbraw/zinc/11/94/48/950119448.db2.gz USLZDAYURXCOQZ-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184160 950119461 /nfs/dbraw/zinc/11/94/61/950119461.db2.gz USLZDAYURXCOQZ-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184280 950119553 /nfs/dbraw/zinc/11/95/53/950119553.db2.gz VTJIRNLTCQTBHJ-GXFFZTMASA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184280 950119578 /nfs/dbraw/zinc/11/95/78/950119578.db2.gz VTJIRNLTCQTBHJ-GXFFZTMASA-N -1 1 383.420 0.138 20 0 GCADMM O=CNc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC001595295342 950119862 /nfs/dbraw/zinc/11/98/62/950119862.db2.gz FOPYTOSUZNFHHB-VXGBXAGGSA-N -1 1 387.314 0.991 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184364 950126920 /nfs/dbraw/zinc/12/69/20/950126920.db2.gz VEEDTIBRERLQCZ-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184364 950126934 /nfs/dbraw/zinc/12/69/34/950126934.db2.gz VEEDTIBRERLQCZ-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CC(F)(F)C1 ZINC001575582857 950128337 /nfs/dbraw/zinc/12/83/37/950128337.db2.gz HWVRCRFIXIKBSM-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184704 950140518 /nfs/dbraw/zinc/14/05/18/950140518.db2.gz WZYIZNFWBCICFE-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184704 950140527 /nfs/dbraw/zinc/14/05/27/950140527.db2.gz WZYIZNFWBCICFE-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001573842449 950143045 /nfs/dbraw/zinc/14/30/45/950143045.db2.gz DFNTYLZLGVPNLF-OLZOCXBDSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573842449 950143057 /nfs/dbraw/zinc/14/30/57/950143057.db2.gz DFNTYLZLGVPNLF-OLZOCXBDSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)CCNC(=O)C1 ZINC001575583148 950143745 /nfs/dbraw/zinc/14/37/45/950143745.db2.gz PBLDBZOYMMDHAL-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCC2)CCNC(=O)C1 ZINC001575583148 950143760 /nfs/dbraw/zinc/14/37/60/950143760.db2.gz PBLDBZOYMMDHAL-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574493922 950145197 /nfs/dbraw/zinc/14/51/97/950145197.db2.gz VJRBNMWBAGKHKI-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574493922 950145223 /nfs/dbraw/zinc/14/52/23/950145223.db2.gz VJRBNMWBAGKHKI-HIFPTAJRSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001574494026 950150012 /nfs/dbraw/zinc/15/00/12/950150012.db2.gz WULRCLLMOCJGAA-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001574494026 950150024 /nfs/dbraw/zinc/15/00/24/950150024.db2.gz WULRCLLMOCJGAA-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184990 950150719 /nfs/dbraw/zinc/15/07/19/950150719.db2.gz YAPPTNNYNXMSKX-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184990 950150730 /nfs/dbraw/zinc/15/07/30/950150730.db2.gz YAPPTNNYNXMSKX-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576185003 950152358 /nfs/dbraw/zinc/15/23/58/950152358.db2.gz YJERWWIAVFCVFF-AAEUAGOBSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576185006 950152579 /nfs/dbraw/zinc/15/25/79/950152579.db2.gz YJERWWIAVFCVFF-YPMHNXCESA-N -1 1 382.432 0.165 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190431 950162932 /nfs/dbraw/zinc/16/29/32/950162932.db2.gz BIMWFCSXXDULKF-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190431 950162946 /nfs/dbraw/zinc/16/29/46/950162946.db2.gz BIMWFCSXXDULKF-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574494479 950163597 /nfs/dbraw/zinc/16/35/97/950163597.db2.gz ZMFVOJBUDPRIQN-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574494479 950163610 /nfs/dbraw/zinc/16/36/10/950163610.db2.gz ZMFVOJBUDPRIQN-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001573843304 950169392 /nfs/dbraw/zinc/16/93/92/950169392.db2.gz UAXDJOUFRQPBLA-CHWSQXEVSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001573843304 950169404 /nfs/dbraw/zinc/16/94/04/950169404.db2.gz UAXDJOUFRQPBLA-CHWSQXEVSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574154969 950179858 /nfs/dbraw/zinc/17/98/58/950179858.db2.gz HHKKYWYBEYBYAP-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574154969 950179867 /nfs/dbraw/zinc/17/98/67/950179867.db2.gz HHKKYWYBEYBYAP-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001574155061 950183892 /nfs/dbraw/zinc/18/38/92/950183892.db2.gz JCOUFOMBOONWFO-ZDUSSCGKSA-N -1 1 384.448 0.377 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575585381 950189533 /nfs/dbraw/zinc/18/95/33/950189533.db2.gz YMMLPGUTAVEKOD-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575585381 950189543 /nfs/dbraw/zinc/18/95/43/950189543.db2.gz YMMLPGUTAVEKOD-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC001575585215 950189638 /nfs/dbraw/zinc/18/96/38/950189638.db2.gz XNCXZCPGBABGTI-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC001575585215 950189652 /nfs/dbraw/zinc/18/96/52/950189652.db2.gz XNCXZCPGBABGTI-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575585383 950189882 /nfs/dbraw/zinc/18/98/82/950189882.db2.gz YMMLPGUTAVEKOD-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575585383 950189890 /nfs/dbraw/zinc/18/98/90/950189890.db2.gz YMMLPGUTAVEKOD-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575585259 950190211 /nfs/dbraw/zinc/19/02/11/950190211.db2.gz XYVHDJVEZONELZ-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575585259 950190216 /nfs/dbraw/zinc/19/02/16/950190216.db2.gz XYVHDJVEZONELZ-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575585545 950197963 /nfs/dbraw/zinc/19/79/63/950197963.db2.gz AKRHYHSBOYJCQI-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575585545 950197980 /nfs/dbraw/zinc/19/79/80/950197980.db2.gz AKRHYHSBOYJCQI-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574155632 950201609 /nfs/dbraw/zinc/20/16/09/950201609.db2.gz PHISUOLRBQNZEH-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574155632 950201625 /nfs/dbraw/zinc/20/16/25/950201625.db2.gz PHISUOLRBQNZEH-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CN1CCCC1=O ZINC001574155638 950204361 /nfs/dbraw/zinc/20/43/61/950204361.db2.gz PJQBAQGBDADILO-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CN1CCCC1=O ZINC001574155638 950204384 /nfs/dbraw/zinc/20/43/84/950204384.db2.gz PJQBAQGBDADILO-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191768 950209768 /nfs/dbraw/zinc/20/97/68/950209768.db2.gz KBEPGIUBCQIBIH-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191768 950209790 /nfs/dbraw/zinc/20/97/90/950209790.db2.gz KBEPGIUBCQIBIH-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191766 950210601 /nfs/dbraw/zinc/21/06/01/950210601.db2.gz IIKNWJNEVKHXFX-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191766 950210610 /nfs/dbraw/zinc/21/06/10/950210610.db2.gz IIKNWJNEVKHXFX-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191769 950210751 /nfs/dbraw/zinc/21/07/51/950210751.db2.gz KBEPGIUBCQIBIH-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191769 950210772 /nfs/dbraw/zinc/21/07/72/950210772.db2.gz KBEPGIUBCQIBIH-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901015 950211579 /nfs/dbraw/zinc/21/15/79/950211579.db2.gz JXOFXIJWWVHZNH-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nn[nH]n1 ZINC001575901015 950211589 /nfs/dbraw/zinc/21/15/89/950211589.db2.gz JXOFXIJWWVHZNH-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901014 950211645 /nfs/dbraw/zinc/21/16/45/950211645.db2.gz JXOFXIJWWVHZNH-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nn[nH]n1 ZINC001575901014 950211658 /nfs/dbraw/zinc/21/16/58/950211658.db2.gz JXOFXIJWWVHZNH-GHMZBOCLSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574496107 950212029 /nfs/dbraw/zinc/21/20/29/950212029.db2.gz VPUVCEPLRKQFIL-TZMCWYRMSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192006 950218040 /nfs/dbraw/zinc/21/80/40/950218040.db2.gz JIPSJUFGEGWSDD-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192006 950218056 /nfs/dbraw/zinc/21/80/56/950218056.db2.gz JIPSJUFGEGWSDD-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192002 950219178 /nfs/dbraw/zinc/21/91/78/950219178.db2.gz JIPSJUFGEGWSDD-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192002 950219195 /nfs/dbraw/zinc/21/91/95/950219195.db2.gz JIPSJUFGEGWSDD-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574156094 950224970 /nfs/dbraw/zinc/22/49/70/950224970.db2.gz WPBMKPKHBVDCJU-SCLBCKFNSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574497324 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ZINC001576194231 950332697 /nfs/dbraw/zinc/33/26/97/950332697.db2.gz XXWKNNKNXHBZMI-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194231 950332721 /nfs/dbraw/zinc/33/27/21/950332721.db2.gz XXWKNNKNXHBZMI-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194201 950333080 /nfs/dbraw/zinc/33/30/80/950333080.db2.gz XNESJFWCULYEDT-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194201 950333097 /nfs/dbraw/zinc/33/30/97/950333097.db2.gz XNESJFWCULYEDT-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@]1(C(=O)NCCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)CCCOC1 ZINC001575594431 950334258 /nfs/dbraw/zinc/33/42/58/950334258.db2.gz TXRYTOLXPMLMNV-GOSISDBHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NCCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)CCCOC1 ZINC001575594431 950334278 /nfs/dbraw/zinc/33/42/78/950334278.db2.gz TXRYTOLXPMLMNV-GOSISDBHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C1CC1 ZINC001574501651 950337877 /nfs/dbraw/zinc/33/78/77/950337877.db2.gz FTKVLLYWHXNLCS-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C1CC1 ZINC001574501651 950337898 /nfs/dbraw/zinc/33/78/98/950337898.db2.gz FTKVLLYWHXNLCS-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575594535 950337942 /nfs/dbraw/zinc/33/79/42/950337942.db2.gz UULHXUCFSNKAAI-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575594535 950337963 /nfs/dbraw/zinc/33/79/63/950337963.db2.gz UULHXUCFSNKAAI-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574501902 950345826 /nfs/dbraw/zinc/34/58/26/950345826.db2.gz HEKVEFOMVNDRBF-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574501902 950345847 /nfs/dbraw/zinc/34/58/47/950345847.db2.gz HEKVEFOMVNDRBF-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576194497 950346537 /nfs/dbraw/zinc/34/65/37/950346537.db2.gz ZJOLNCWIWYFDGN-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576194497 950346541 /nfs/dbraw/zinc/34/65/41/950346541.db2.gz ZJOLNCWIWYFDGN-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194523 950349156 /nfs/dbraw/zinc/34/91/56/950349156.db2.gz ZQHRJKZXZDRHGL-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194523 950349177 /nfs/dbraw/zinc/34/91/77/950349177.db2.gz ZQHRJKZXZDRHGL-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)C1CC1 ZINC001574161272 950355204 /nfs/dbraw/zinc/35/52/04/950355204.db2.gz SFLUHGWWQPKAMB-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)C1CC1 ZINC001574161272 950355228 /nfs/dbraw/zinc/35/52/28/950355228.db2.gz SFLUHGWWQPKAMB-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001573855183 950355884 /nfs/dbraw/zinc/35/58/84/950355884.db2.gz KUOPNVSIYYJSTP-LBPRGKRZSA-N -1 1 379.446 0.330 20 0 GCADMM CC(C)(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001573855183 950355902 /nfs/dbraw/zinc/35/59/02/950355902.db2.gz KUOPNVSIYYJSTP-LBPRGKRZSA-N -1 1 379.446 0.330 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CC1 ZINC001574502210 950362655 /nfs/dbraw/zinc/36/26/55/950362655.db2.gz KNYCAIIZNPIYRF-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CC1 ZINC001574502210 950362679 /nfs/dbraw/zinc/36/26/79/950362679.db2.gz KNYCAIIZNPIYRF-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001574161530 950365458 /nfs/dbraw/zinc/36/54/58/950365458.db2.gz VSKHBFZLYRFEMW-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001574161530 950365482 /nfs/dbraw/zinc/36/54/82/950365482.db2.gz VSKHBFZLYRFEMW-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)CCOC1 ZINC001575596010 950369368 /nfs/dbraw/zinc/36/93/68/950369368.db2.gz RLHGVSYIXJGBLR-PXAZEXFGSA-N -1 1 392.485 0.672 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)CCOC1 ZINC001575596018 950370393 /nfs/dbraw/zinc/37/03/93/950370393.db2.gz RLHGVSYIXJGBLR-YVEFUNNKSA-N -1 1 392.485 0.672 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001573855395 950371260 /nfs/dbraw/zinc/37/12/60/950371260.db2.gz SNVMKVZJKFJOQV-UNJBNNCHSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573855395 950371276 /nfs/dbraw/zinc/37/12/76/950371276.db2.gz SNVMKVZJKFJOQV-UNJBNNCHSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cccn1 ZINC001574162111 950372277 /nfs/dbraw/zinc/37/22/77/950372277.db2.gz ZEJVWLCQKHRRJN-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cccn1 ZINC001574162111 950372291 /nfs/dbraw/zinc/37/22/91/950372291.db2.gz ZEJVWLCQKHRRJN-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001575596516 950377324 /nfs/dbraw/zinc/37/73/24/950377324.db2.gz TUBAGBXBWLQNHF-SJCJKPOMSA-N -1 1 392.485 0.672 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574162426 950378186 /nfs/dbraw/zinc/37/81/86/950378186.db2.gz ADYMGMQIZUXVMW-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574162426 950378209 /nfs/dbraw/zinc/37/82/09/950378209.db2.gz ADYMGMQIZUXVMW-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001575596518 950380370 /nfs/dbraw/zinc/38/03/70/950380370.db2.gz TUBAGBXBWLQNHF-SJKOYZFVSA-N -1 1 392.485 0.672 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575596901 950389154 /nfs/dbraw/zinc/38/91/54/950389154.db2.gz JCAHSGSLXDBFBC-JCGVRSQUSA-N -1 1 386.460 0.592 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001573856768 950393818 /nfs/dbraw/zinc/39/38/18/950393818.db2.gz IBWVDLPAYHRJRO-NXEZZACHSA-N -1 1 380.430 0.638 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574746806 950401362 /nfs/dbraw/zinc/40/13/62/950401362.db2.gz PKQFOTICZJNHJU-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574746806 950401373 /nfs/dbraw/zinc/40/13/73/950401373.db2.gz PKQFOTICZJNHJU-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CC1 ZINC001574503315 950403253 /nfs/dbraw/zinc/40/32/53/950403253.db2.gz UKNLGRCVZQGKQH-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CC1 ZINC001574503315 950403265 /nfs/dbraw/zinc/40/32/65/950403265.db2.gz UKNLGRCVZQGKQH-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc[nH]c1=O ZINC001574162865 950404515 /nfs/dbraw/zinc/40/45/15/950404515.db2.gz KOQCGUUGHIAEPF-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc[nH]c1=O ZINC001574162865 950404534 /nfs/dbraw/zinc/40/45/34/950404534.db2.gz KOQCGUUGHIAEPF-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C)c1N ZINC001574162925 950409504 /nfs/dbraw/zinc/40/95/04/950409504.db2.gz NFVXUKRUXOKUPL-JTQLQIEISA-N -1 1 385.436 0.229 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C)c1N ZINC001574162925 950409518 /nfs/dbraw/zinc/40/95/18/950409518.db2.gz NFVXUKRUXOKUPL-JTQLQIEISA-N -1 1 385.436 0.229 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574747659 950411843 /nfs/dbraw/zinc/41/18/43/950411843.db2.gz VBSUREKKKZMRLW-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574747659 950411850 /nfs/dbraw/zinc/41/18/50/950411850.db2.gz VBSUREKKKZMRLW-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574504008 950421734 /nfs/dbraw/zinc/42/17/34/950421734.db2.gz ZGIBOLYRXDVMFO-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574504036 950422553 /nfs/dbraw/zinc/42/25/53/950422553.db2.gz ZPKIXMXBGDRDMG-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001573860357 950422985 /nfs/dbraw/zinc/42/29/85/950422985.db2.gz HLCOKLWCCNCELA-WDEREUQCSA-N -1 1 391.436 0.268 20 0 GCADMM CC1(C(=O)NCc2nc(CNc3cncc(-c4nnn[n-]4)n3)cc(=O)[nH]2)CC1 ZINC001575599125 950427549 /nfs/dbraw/zinc/42/75/49/950427549.db2.gz DKCVADNDOVWGLY-UHFFFAOYSA-N -1 1 382.388 0.181 20 0 GCADMM CC1(C(=O)NCc2nc(CNc3cncc(-c4nn[n-]n4)n3)cc(=O)[nH]2)CC1 ZINC001575599125 950427562 /nfs/dbraw/zinc/42/75/62/950427562.db2.gz DKCVADNDOVWGLY-UHFFFAOYSA-N -1 1 382.388 0.181 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)n1cncn1 ZINC001574163606 950431023 /nfs/dbraw/zinc/43/10/23/950431023.db2.gz WSYOCLKKMKHESJ-VXGBXAGGSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)n1cncn1 ZINC001574163606 950431039 /nfs/dbraw/zinc/43/10/39/950431039.db2.gz WSYOCLKKMKHESJ-VXGBXAGGSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575911446 950442589 /nfs/dbraw/zinc/44/25/89/950442589.db2.gz DPWXXIIIEWQKSO-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575911446 950442607 /nfs/dbraw/zinc/44/26/07/950442607.db2.gz DPWXXIIIEWQKSO-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574750770 950444887 /nfs/dbraw/zinc/44/48/87/950444887.db2.gz HNKJJQVVXJPVRY-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574750770 950444901 /nfs/dbraw/zinc/44/49/01/950444901.db2.gz HNKJJQVVXJPVRY-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]2O)CCC1 ZINC001575604964 950448770 /nfs/dbraw/zinc/44/87/70/950448770.db2.gz IBQMQEQBMCYIQO-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]2O)CCC1 ZINC001575604964 950448784 /nfs/dbraw/zinc/44/87/84/950448784.db2.gz IBQMQEQBMCYIQO-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CCCCCC1 ZINC001575605335 950456877 /nfs/dbraw/zinc/45/68/77/950456877.db2.gz MIFNHDJDWOZLTI-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575911911 950457843 /nfs/dbraw/zinc/45/78/43/950457843.db2.gz FSLIAIBPLQADHK-ZWNOBZJWSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575911911 950457854 /nfs/dbraw/zinc/45/78/54/950457854.db2.gz FSLIAIBPLQADHK-ZWNOBZJWSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccnn1C ZINC001575912552 950464593 /nfs/dbraw/zinc/46/45/93/950464593.db2.gz HBCXWTDLQSIATL-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccnn1C ZINC001575912552 950464615 /nfs/dbraw/zinc/46/46/15/950464615.db2.gz HBCXWTDLQSIATL-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1nccn1C ZINC001575913157 950479394 /nfs/dbraw/zinc/47/93/94/950479394.db2.gz IWSLSFMWQKYVRD-RYUDHWBXSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1nccn1C ZINC001575913157 950479404 /nfs/dbraw/zinc/47/94/04/950479404.db2.gz IWSLSFMWQKYVRD-RYUDHWBXSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752632 950491685 /nfs/dbraw/zinc/49/16/85/950491685.db2.gz DQUQZZBRDUQYST-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752632 950491693 /nfs/dbraw/zinc/49/16/93/950491693.db2.gz DQUQZZBRDUQYST-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001574994864 950496107 /nfs/dbraw/zinc/49/61/07/950496107.db2.gz ASMMFFMHYBSUGJ-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574994864 950496127 /nfs/dbraw/zinc/49/61/27/950496127.db2.gz ASMMFFMHYBSUGJ-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866410 950500006 /nfs/dbraw/zinc/50/00/06/950500006.db2.gz BCOMXUNRXMUVLR-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866410 950500026 /nfs/dbraw/zinc/50/00/26/950500026.db2.gz BCOMXUNRXMUVLR-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573866461 950501017 /nfs/dbraw/zinc/50/10/17/950501017.db2.gz CXNBHZGGNQKNFV-KRWDZBQOSA-N -1 1 390.448 0.237 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573866461 950501037 /nfs/dbraw/zinc/50/10/37/950501037.db2.gz CXNBHZGGNQKNFV-KRWDZBQOSA-N -1 1 390.448 0.237 20 0 GCADMM C[C@H](CNC(=O)c1cc(-n2cccn2)ccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574995018 950501572 /nfs/dbraw/zinc/50/15/72/950501572.db2.gz CBIIJZODOSTGRE-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@H](CNC(=O)c1cc(-n2cccn2)ccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574995018 950501585 /nfs/dbraw/zinc/50/15/85/950501585.db2.gz CBIIJZODOSTGRE-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573866481 950501753 /nfs/dbraw/zinc/50/17/53/950501753.db2.gz DRJYTXMWENOSHB-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573866481 950501764 /nfs/dbraw/zinc/50/17/64/950501764.db2.gz DRJYTXMWENOSHB-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573866434 950501922 /nfs/dbraw/zinc/50/19/22/950501922.db2.gz BSCANRGRWXTSBB-UHFFFAOYSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574509508 950516367 /nfs/dbraw/zinc/51/63/67/950516367.db2.gz WFBRPPROYOZWKW-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574509508 950516389 /nfs/dbraw/zinc/51/63/89/950516389.db2.gz WFBRPPROYOZWKW-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574996006 950519536 /nfs/dbraw/zinc/51/95/36/950519536.db2.gz JOJSWFYVDMZGLI-ZCFIWIBFSA-N -1 1 382.310 0.051 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574509727 950526581 /nfs/dbraw/zinc/52/65/81/950526581.db2.gz WKHAGSNAQMFHQL-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574509769 950531579 /nfs/dbraw/zinc/53/15/79/950531579.db2.gz XWSLVHYFHVCMPH-BBBLOLIVSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574510054 950539033 /nfs/dbraw/zinc/53/90/33/950539033.db2.gz YWUUWPXTQLKBLQ-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574510054 950539048 /nfs/dbraw/zinc/53/90/48/950539048.db2.gz YWUUWPXTQLKBLQ-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)[C@@H]1CCCO1 ZINC001574510082 950545003 /nfs/dbraw/zinc/54/50/03/950545003.db2.gz ZWRYLEIEHQUIIU-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)[C@@H]1CCCO1 ZINC001574510082 950545026 /nfs/dbraw/zinc/54/50/26/950545026.db2.gz ZWRYLEIEHQUIIU-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)n(C)n1 ZINC001574997673 950549443 /nfs/dbraw/zinc/54/94/43/950549443.db2.gz VSRGIJPZZBZRJX-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)n(C)n1 ZINC001574997673 950549465 /nfs/dbraw/zinc/54/94/65/950549465.db2.gz VSRGIJPZZBZRJX-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)n1ccnc1 ZINC001574511371 950554435 /nfs/dbraw/zinc/55/44/35/950554435.db2.gz IYIJFFWCNUXILS-MBNYWOFBSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)n1ccnc1 ZINC001574511371 950554448 /nfs/dbraw/zinc/55/44/48/950554448.db2.gz IYIJFFWCNUXILS-MBNYWOFBSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574997871 950554563 /nfs/dbraw/zinc/55/45/63/950554563.db2.gz YVRQSASRIGSDEW-LURJTMIESA-N -1 1 383.294 0.316 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)CC(C)(C)C ZINC001574511355 950555338 /nfs/dbraw/zinc/55/53/38/950555338.db2.gz ISLFMAYZUUUMEV-BNOWGMLFSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)CC(C)(C)C ZINC001574511355 950555366 /nfs/dbraw/zinc/55/53/66/950555366.db2.gz ISLFMAYZUUUMEV-BNOWGMLFSA-N -1 1 388.476 0.785 20 0 GCADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575614958 950561624 /nfs/dbraw/zinc/56/16/24/950561624.db2.gz WVNAYYHFXAHUOM-DYEKYZERSA-N -1 1 384.444 0.699 20 0 GCADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575614958 950561637 /nfs/dbraw/zinc/56/16/37/950561637.db2.gz WVNAYYHFXAHUOM-DYEKYZERSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574754172 950562536 /nfs/dbraw/zinc/56/25/36/950562536.db2.gz ZCEFCGDVEKONJC-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574754172 950562552 /nfs/dbraw/zinc/56/25/52/950562552.db2.gz ZCEFCGDVEKONJC-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574754145 950563243 /nfs/dbraw/zinc/56/32/43/950563243.db2.gz YLEHNOYOLUXVHD-NSHDSACASA-N -1 1 380.412 0.586 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573869572 950569573 /nfs/dbraw/zinc/56/95/73/950569573.db2.gz QONOXKTWLBZLOH-AVGNSLFASA-N -1 1 386.460 0.945 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573869572 950569581 /nfs/dbraw/zinc/56/95/81/950569581.db2.gz QONOXKTWLBZLOH-AVGNSLFASA-N -1 1 386.460 0.945 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999426 950578592 /nfs/dbraw/zinc/57/85/92/950578592.db2.gz JOCVUIHJLHJXAZ-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574999426 950578609 /nfs/dbraw/zinc/57/86/09/950578609.db2.gz JOCVUIHJLHJXAZ-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574511963 950579977 /nfs/dbraw/zinc/57/99/77/950579977.db2.gz XYANMAFAHXYESB-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574511963 950580008 /nfs/dbraw/zinc/58/00/08/950580008.db2.gz XYANMAFAHXYESB-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575616116 950581130 /nfs/dbraw/zinc/58/11/30/950581130.db2.gz MGALXNBVTKCVEY-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575616116 950581147 /nfs/dbraw/zinc/58/11/47/950581147.db2.gz MGALXNBVTKCVEY-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999671 950582582 /nfs/dbraw/zinc/58/25/82/950582582.db2.gz LJTSBDCJXBJWEO-VIFPVBQESA-N -1 1 375.824 0.903 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnccn1 ZINC001575917559 950583082 /nfs/dbraw/zinc/58/30/82/950583082.db2.gz ZCDPATYLRXTHAO-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnccn1 ZINC001575917559 950583099 /nfs/dbraw/zinc/58/30/99/950583099.db2.gz ZCDPATYLRXTHAO-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001575616897 950588480 /nfs/dbraw/zinc/58/84/80/950588480.db2.gz SYPWZDNQBKMFST-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001575616897 950588491 /nfs/dbraw/zinc/58/84/91/950588491.db2.gz SYPWZDNQBKMFST-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001575918501 950595668 /nfs/dbraw/zinc/59/56/68/950595668.db2.gz CVHFYGURWDODBS-NEPJUHHUSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575918779 950600524 /nfs/dbraw/zinc/60/05/24/950600524.db2.gz FBSZAMSPJVIWCH-PSASIEDQSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575918779 950600538 /nfs/dbraw/zinc/60/05/38/950600538.db2.gz FBSZAMSPJVIWCH-PSASIEDQSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000548 950606761 /nfs/dbraw/zinc/60/67/61/950606761.db2.gz FIUDNPRFNRLKJK-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001573871071 950608369 /nfs/dbraw/zinc/60/83/69/950608369.db2.gz MVAJVFDSCXVDQP-QGZVFWFLSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001573871071 950608384 /nfs/dbraw/zinc/60/83/84/950608384.db2.gz MVAJVFDSCXVDQP-QGZVFWFLSA-N -1 1 390.448 0.183 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)n1cccn1 ZINC001574513372 950609485 /nfs/dbraw/zinc/60/94/85/950609485.db2.gz QBWGROIQEXOKFQ-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)n1cccn1 ZINC001574513372 950609511 /nfs/dbraw/zinc/60/95/11/950609511.db2.gz QBWGROIQEXOKFQ-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575919333 950609821 /nfs/dbraw/zinc/60/98/21/950609821.db2.gz GRARTDMKVYQHPR-GHMZBOCLSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575919333 950609848 /nfs/dbraw/zinc/60/98/48/950609848.db2.gz GRARTDMKVYQHPR-GHMZBOCLSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001575000554 950609885 /nfs/dbraw/zinc/60/98/85/950609885.db2.gz QIMZSNFYDJLKTF-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001575000554 950609892 /nfs/dbraw/zinc/60/98/92/950609892.db2.gz QIMZSNFYDJLKTF-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575919409 950614459 /nfs/dbraw/zinc/61/44/59/950614459.db2.gz HTYSHVCYMZGOFR-GXTWGEPZSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574513703 950615125 /nfs/dbraw/zinc/61/51/25/950615125.db2.gz VYYONNQOOZPUEP-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574515241 950625189 /nfs/dbraw/zinc/62/51/89/950625189.db2.gz CDMSLFMTPLXZAG-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574515241 950625204 /nfs/dbraw/zinc/62/52/04/950625204.db2.gz CDMSLFMTPLXZAG-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)C1(C)C ZINC001575619898 950625593 /nfs/dbraw/zinc/62/55/93/950625593.db2.gz TWDYPNLUOCOSGT-QWRGUYRKSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759055 950625831 /nfs/dbraw/zinc/62/58/31/950625831.db2.gz KDRDKHJGPGTZBK-SECBINFHSA-N -1 1 392.374 0.113 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575920600 950631544 /nfs/dbraw/zinc/63/15/44/950631544.db2.gz MRVRVKLOZAPZFX-GZMMTYOYSA-N -1 1 387.354 0.467 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575001465 950632920 /nfs/dbraw/zinc/63/29/20/950632920.db2.gz KXDLEEDVAQNOKK-VIFPVBQESA-N -1 1 381.400 0.476 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575001465 950632932 /nfs/dbraw/zinc/63/29/32/950632932.db2.gz KXDLEEDVAQNOKK-VIFPVBQESA-N -1 1 381.400 0.476 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759299 950634600 /nfs/dbraw/zinc/63/46/00/950634600.db2.gz BCYBRLAOAUWHGH-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759299 950634610 /nfs/dbraw/zinc/63/46/10/950634610.db2.gz BCYBRLAOAUWHGH-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575622291 950635450 /nfs/dbraw/zinc/63/54/50/950635450.db2.gz BUGLZVWTFJPNOX-NEPJUHHUSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575622291 950635461 /nfs/dbraw/zinc/63/54/61/950635461.db2.gz BUGLZVWTFJPNOX-NEPJUHHUSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574516427 950636570 /nfs/dbraw/zinc/63/65/70/950636570.db2.gz ITWAYTAOMXXCFF-DRZSPHRISA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574516427 950636584 /nfs/dbraw/zinc/63/65/84/950636584.db2.gz ITWAYTAOMXXCFF-DRZSPHRISA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575001522 950637373 /nfs/dbraw/zinc/63/73/73/950637373.db2.gz MGGPMFZPDXJDOT-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575001522 950637381 /nfs/dbraw/zinc/63/73/81/950637381.db2.gz MGGPMFZPDXJDOT-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1(C)C ZINC001573873517 950644623 /nfs/dbraw/zinc/64/46/23/950644623.db2.gz NUHNMXAGFFGXPM-WDEREUQCSA-N -1 1 391.432 0.227 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)CC2 ZINC001575623143 950647515 /nfs/dbraw/zinc/64/75/15/950647515.db2.gz ITYZEPZLDLOVJB-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)CC2 ZINC001575623143 950647525 /nfs/dbraw/zinc/64/75/25/950647525.db2.gz ITYZEPZLDLOVJB-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)n1ccnc1 ZINC001574518278 950649409 /nfs/dbraw/zinc/64/94/09/950649409.db2.gz NHCQMDZTBFTSAH-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)n1ccnc1 ZINC001574518278 950649425 /nfs/dbraw/zinc/64/94/25/950649425.db2.gz NHCQMDZTBFTSAH-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575923287 950654270 /nfs/dbraw/zinc/65/42/70/950654270.db2.gz QFAWABAVSFFVHQ-ZWNOBZJWSA-N -1 1 383.391 0.257 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575923219 950656430 /nfs/dbraw/zinc/65/64/30/950656430.db2.gz PTZUQLFVQDMTLE-CABZTGNLSA-N -1 1 380.416 0.394 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575922958 950656616 /nfs/dbraw/zinc/65/66/16/950656616.db2.gz BEQMKPNGTRVIBD-GXFFZTMASA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575922958 950656631 /nfs/dbraw/zinc/65/66/31/950656631.db2.gz BEQMKPNGTRVIBD-GXFFZTMASA-N -1 1 383.391 0.835 20 0 GCADMM CC(C)(C)Oc1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573876003 950657475 /nfs/dbraw/zinc/65/74/75/950657475.db2.gz BIZFLGHEXQRQFE-UHFFFAOYSA-N -1 1 385.384 0.945 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575002317 950658463 /nfs/dbraw/zinc/65/84/63/950658463.db2.gz RXYBOIIGTVCPAB-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575002317 950658490 /nfs/dbraw/zinc/65/84/90/950658490.db2.gz RXYBOIIGTVCPAB-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM CC(C)(C)SCCCC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573876207 950663908 /nfs/dbraw/zinc/66/39/08/950663908.db2.gz FDPTYCPTKACEBZ-UHFFFAOYSA-N -1 1 381.462 0.557 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001574518924 950663762 /nfs/dbraw/zinc/66/37/62/950663762.db2.gz RUQSKYBRRWSZGY-FOCJUVANSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@@H](CNC(=O)c1cc(F)c(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575002572 950664164 /nfs/dbraw/zinc/66/41/64/950664164.db2.gz VJTMALVMDLQSAL-ZETCQYMHSA-N -1 1 378.318 0.726 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575002780 950667556 /nfs/dbraw/zinc/66/75/56/950667556.db2.gz WSTYOJWPNJNHHT-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575002780 950667581 /nfs/dbraw/zinc/66/75/81/950667581.db2.gz WSTYOJWPNJNHHT-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575002779 950667766 /nfs/dbraw/zinc/66/77/66/950667766.db2.gz WSTYOJWPNJNHHT-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575002779 950667778 /nfs/dbraw/zinc/66/77/78/950667778.db2.gz WSTYOJWPNJNHHT-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575924058 950668813 /nfs/dbraw/zinc/66/88/13/950668813.db2.gz RNGTTZSACKUMJQ-MWLCHTKSSA-N -1 1 388.823 0.030 20 0 GCADMM CC(C)(C)Oc1ccncc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573876254 950668891 /nfs/dbraw/zinc/66/88/91/950668891.db2.gz HZTIIJSKDQLJKY-UHFFFAOYSA-N -1 1 386.372 0.340 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001575924366 950670426 /nfs/dbraw/zinc/67/04/26/950670426.db2.gz FFODHTJVMMGXSU-ONGXEEELSA-N -1 1 391.399 0.643 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924401 950670937 /nfs/dbraw/zinc/67/09/37/950670937.db2.gz FIFQCSLSEAYCMQ-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924401 950670948 /nfs/dbraw/zinc/67/09/48/950670948.db2.gz FIFQCSLSEAYCMQ-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575003108 950672206 /nfs/dbraw/zinc/67/22/06/950672206.db2.gz XZXZZDYBJDPYHC-SNVBAGLBSA-N -1 1 381.400 0.607 20 0 GCADMM C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575003108 950672219 /nfs/dbraw/zinc/67/22/19/950672219.db2.gz XZXZZDYBJDPYHC-SNVBAGLBSA-N -1 1 381.400 0.607 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760597 950672995 /nfs/dbraw/zinc/67/29/95/950672995.db2.gz JVMMYEQAPCOWNF-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760597 950673006 /nfs/dbraw/zinc/67/30/06/950673006.db2.gz JVMMYEQAPCOWNF-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1ccncc1 ZINC001574519263 950673864 /nfs/dbraw/zinc/67/38/64/950673864.db2.gz DHRWKFUQRKUWKK-NSHDSACASA-N -1 1 383.416 0.954 20 0 GCADMM C[C@@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1ccncc1 ZINC001574519263 950673876 /nfs/dbraw/zinc/67/38/76/950673876.db2.gz DHRWKFUQRKUWKK-NSHDSACASA-N -1 1 383.416 0.954 20 0 GCADMM C[C@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1ccncc1 ZINC001574519262 950674289 /nfs/dbraw/zinc/67/42/89/950674289.db2.gz DHRWKFUQRKUWKK-LLVKDONJSA-N -1 1 383.416 0.954 20 0 GCADMM C[C@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1ccncc1 ZINC001574519262 950674298 /nfs/dbraw/zinc/67/42/98/950674298.db2.gz DHRWKFUQRKUWKK-LLVKDONJSA-N -1 1 383.416 0.954 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925021 950674454 /nfs/dbraw/zinc/67/44/54/950674454.db2.gz GHAFOGKFYYZBSD-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925021 950674468 /nfs/dbraw/zinc/67/44/68/950674468.db2.gz GHAFOGKFYYZBSD-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](CO)Nc1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575624867 950675359 /nfs/dbraw/zinc/67/53/59/950675359.db2.gz PUIWXIHUZWWGHI-BJCXPLBRSA-N -1 1 386.460 0.184 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575924877 950675765 /nfs/dbraw/zinc/67/57/65/950675765.db2.gz FYJZKUUBFSVTLU-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575924877 950675778 /nfs/dbraw/zinc/67/57/78/950675778.db2.gz FYJZKUUBFSVTLU-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc2nccn21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760689 950675875 /nfs/dbraw/zinc/67/58/75/950675875.db2.gz XXHFKMGQCKLJDM-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc2nccn21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760689 950675890 /nfs/dbraw/zinc/67/58/90/950675890.db2.gz XXHFKMGQCKLJDM-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(F)(F)F ZINC001574519405 950678345 /nfs/dbraw/zinc/67/83/45/950678345.db2.gz UUNLYFARPKAJGM-NMSKTSORSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(F)(F)F ZINC001574519405 950678355 /nfs/dbraw/zinc/67/83/55/950678355.db2.gz UUNLYFARPKAJGM-NMSKTSORSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925027 950681759 /nfs/dbraw/zinc/68/17/59/950681759.db2.gz GHAFOGKFYYZBSD-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925027 950681776 /nfs/dbraw/zinc/68/17/76/950681776.db2.gz GHAFOGKFYYZBSD-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ncccc1F ZINC001575925568 950689023 /nfs/dbraw/zinc/68/90/23/950689023.db2.gz HNEBSAGKGVKITA-JQWIXIFHSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ncccc1F ZINC001575925568 950689035 /nfs/dbraw/zinc/68/90/35/950689035.db2.gz HNEBSAGKGVKITA-JQWIXIFHSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215258 950692837 /nfs/dbraw/zinc/69/28/37/950692837.db2.gz DXZCXDJNXDVYQT-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215258 950692850 /nfs/dbraw/zinc/69/28/50/950692850.db2.gz DXZCXDJNXDVYQT-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001573877799 950696136 /nfs/dbraw/zinc/69/61/36/950696136.db2.gz GRIGCYGHORYWMK-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574761174 950697536 /nfs/dbraw/zinc/69/75/36/950697536.db2.gz RWPXMWRZFDDJSK-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574761174 950697546 /nfs/dbraw/zinc/69/75/46/950697546.db2.gz RWPXMWRZFDDJSK-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926184 950700360 /nfs/dbraw/zinc/70/03/60/950700360.db2.gz VWJOJXLJEYVOFM-WCBMZHEXSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926183 950702499 /nfs/dbraw/zinc/70/24/99/950702499.db2.gz VWJOJXLJEYVOFM-SCZZXKLOSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574762192 950704007 /nfs/dbraw/zinc/70/40/07/950704007.db2.gz WZWPIJKNRJUVHA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574762192 950704026 /nfs/dbraw/zinc/70/40/26/950704026.db2.gz WZWPIJKNRJUVHA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573878340 950706859 /nfs/dbraw/zinc/70/68/59/950706859.db2.gz MYQDEKYJDRSGFU-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573878340 950706873 /nfs/dbraw/zinc/70/68/73/950706873.db2.gz MYQDEKYJDRSGFU-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575926319 950708516 /nfs/dbraw/zinc/70/85/16/950708516.db2.gz JHLXTECSRNMGAN-GXSJLCMTSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575926319 950708534 /nfs/dbraw/zinc/70/85/34/950708534.db2.gz JHLXTECSRNMGAN-GXSJLCMTSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575926321 950709189 /nfs/dbraw/zinc/70/91/89/950709189.db2.gz JHLXTECSRNMGAN-MWLCHTKSSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575926321 950709202 /nfs/dbraw/zinc/70/92/02/950709202.db2.gz JHLXTECSRNMGAN-MWLCHTKSSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001576215819 950709828 /nfs/dbraw/zinc/70/98/28/950709828.db2.gz BPWZZRPTPSRWIO-KPZWWZAWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001576215819 950709845 /nfs/dbraw/zinc/70/98/45/950709845.db2.gz BPWZZRPTPSRWIO-KPZWWZAWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@H]1CCCO1 ZINC001574520007 950709873 /nfs/dbraw/zinc/70/98/73/950709873.db2.gz ZMJVDWSVNCSLQC-MMWXERNNSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@H]1CCCO1 ZINC001574520007 950709885 /nfs/dbraw/zinc/70/98/85/950709885.db2.gz ZMJVDWSVNCSLQC-MMWXERNNSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926438 950711476 /nfs/dbraw/zinc/71/14/76/950711476.db2.gz KBALFHZZYWOZJG-RYUDHWBXSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926438 950711488 /nfs/dbraw/zinc/71/14/88/950711488.db2.gz KBALFHZZYWOZJG-RYUDHWBXSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCN(C)c3ccnc(-c4nn[n-]n4)n3)cn2C1 ZINC001576215835 950713854 /nfs/dbraw/zinc/71/38/54/950713854.db2.gz GNQABQHZIJKVMB-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccncc1 ZINC001574520169 950715074 /nfs/dbraw/zinc/71/50/74/950715074.db2.gz NCHRPVLWGXHEDM-XJQUKVTJSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccncc1 ZINC001574520169 950715096 /nfs/dbraw/zinc/71/50/96/950715096.db2.gz NCHRPVLWGXHEDM-XJQUKVTJSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575926552 950715448 /nfs/dbraw/zinc/71/54/48/950715448.db2.gz XOCJZNMSJGPUEK-UONOGXRCSA-N -1 1 381.444 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574763508 950716453 /nfs/dbraw/zinc/71/64/53/950716453.db2.gz CSPJSWCSFFMJIO-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574763508 950716461 /nfs/dbraw/zinc/71/64/61/950716461.db2.gz CSPJSWCSFFMJIO-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001576215912 950718855 /nfs/dbraw/zinc/71/88/55/950718855.db2.gz HDGIQJQQPSTGAP-RNCFNFMXSA-N -1 1 384.448 0.652 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575926813 950722903 /nfs/dbraw/zinc/72/29/03/950722903.db2.gz LZKKSGHEHAJPOK-BXKDBHETSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575926813 950722920 /nfs/dbraw/zinc/72/29/20/950722920.db2.gz LZKKSGHEHAJPOK-BXKDBHETSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001573879478 950722897 /nfs/dbraw/zinc/72/28/97/950722897.db2.gz CELPWYGCBUZUGK-SNVBAGLBSA-N -1 1 382.432 0.426 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)no1 ZINC001573879514 950724983 /nfs/dbraw/zinc/72/49/83/950724983.db2.gz DBZWSHWCWPCHNE-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)no1 ZINC001573879514 950724992 /nfs/dbraw/zinc/72/49/92/950724992.db2.gz DBZWSHWCWPCHNE-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763636 950725271 /nfs/dbraw/zinc/72/52/71/950725271.db2.gz HCUWTWFQFNLLJQ-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763636 950725285 /nfs/dbraw/zinc/72/52/85/950725285.db2.gz HCUWTWFQFNLLJQ-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763630 950726040 /nfs/dbraw/zinc/72/60/40/950726040.db2.gz GZTDOERZVIOMPU-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763630 950726050 /nfs/dbraw/zinc/72/60/50/950726050.db2.gz GZTDOERZVIOMPU-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763629 950727046 /nfs/dbraw/zinc/72/70/46/950727046.db2.gz GZTDOERZVIOMPU-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763629 950727058 /nfs/dbraw/zinc/72/70/58/950727058.db2.gz GZTDOERZVIOMPU-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575926901 950728062 /nfs/dbraw/zinc/72/80/62/950728062.db2.gz ZAFONMWUSYJUNB-PWSUYJOCSA-N -1 1 385.457 0.569 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)[nH]n1 ZINC001573879629 950729168 /nfs/dbraw/zinc/72/91/68/950729168.db2.gz HXWKTMMAMAKOIH-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001573879629 950729182 /nfs/dbraw/zinc/72/91/82/950729182.db2.gz HXWKTMMAMAKOIH-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576216299 950729459 /nfs/dbraw/zinc/72/94/59/950729459.db2.gz DGJLPSHNTFYFPS-VHSXEESVSA-N -1 1 380.403 0.876 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763758 950730655 /nfs/dbraw/zinc/73/06/55/950730655.db2.gz JUEHWWDOXDJCQQ-QMMMGPOBSA-N -1 1 392.374 0.322 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001576216393 950731681 /nfs/dbraw/zinc/73/16/81/950731681.db2.gz IWGLRDGOOILJQH-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001576216393 950731704 /nfs/dbraw/zinc/73/17/04/950731704.db2.gz IWGLRDGOOILJQH-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001573879756 950731949 /nfs/dbraw/zinc/73/19/49/950731949.db2.gz KWUHFQRVDVNBDX-JTQLQIEISA-N -1 1 383.416 0.691 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001576216394 950732698 /nfs/dbraw/zinc/73/26/98/950732698.db2.gz IWGLRDGOOILJQH-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001576216394 950732716 /nfs/dbraw/zinc/73/27/16/950732716.db2.gz IWGLRDGOOILJQH-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575927046 950732961 /nfs/dbraw/zinc/73/29/61/950732961.db2.gz ZUUPYLGVDRIXQC-GHMZBOCLSA-N -1 1 385.457 0.569 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763822 950733027 /nfs/dbraw/zinc/73/30/27/950733027.db2.gz LOLRYJUCFFSISP-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763822 950733036 /nfs/dbraw/zinc/73/30/36/950733036.db2.gz LOLRYJUCFFSISP-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)N(C)CCNc3ccnc(-c4nn[n-]n4)n3)c2C1 ZINC001576216437 950738548 /nfs/dbraw/zinc/73/85/48/950738548.db2.gz JHAPWWKNAHFUKX-NSHDSACASA-N -1 1 382.432 0.042 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2nccn2c1 ZINC001575927308 950741115 /nfs/dbraw/zinc/74/11/15/950741115.db2.gz OXXUAKYVFZDPPG-PWSUYJOCSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2nccn2c1 ZINC001575927308 950741126 /nfs/dbraw/zinc/74/11/26/950741126.db2.gz OXXUAKYVFZDPPG-PWSUYJOCSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764173 950745291 /nfs/dbraw/zinc/74/52/91/950745291.db2.gz QNCLQNSEAFPTHO-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764173 950745302 /nfs/dbraw/zinc/74/53/02/950745302.db2.gz QNCLQNSEAFPTHO-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM CC1(C)CC(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCOCC2)C1 ZINC001575629763 950750044 /nfs/dbraw/zinc/75/00/44/950750044.db2.gz SDEVCIZZSVRSKD-UHFFFAOYSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764454 950751946 /nfs/dbraw/zinc/75/19/46/950751946.db2.gz SZROHESLWKQBMF-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764454 950751964 /nfs/dbraw/zinc/75/19/64/950751964.db2.gz SZROHESLWKQBMF-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764510 950754025 /nfs/dbraw/zinc/75/40/25/950754025.db2.gz UQCFDRQWVIMJLH-LLVKDONJSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2ncccn2n1 ZINC001575927938 950764005 /nfs/dbraw/zinc/76/40/05/950764005.db2.gz WJTSHFWUCHENGP-MNOVXSKESA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2ncccn2n1 ZINC001575927938 950764014 /nfs/dbraw/zinc/76/40/14/950764014.db2.gz WJTSHFWUCHENGP-MNOVXSKESA-N -1 1 391.399 0.415 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCCO2)C1 ZINC001575630744 950765206 /nfs/dbraw/zinc/76/52/06/950765206.db2.gz GRHSHRONVGWBKV-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCCO2)C1 ZINC001575630744 950765225 /nfs/dbraw/zinc/76/52/25/950765225.db2.gz GRHSHRONVGWBKV-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575928126 950771408 /nfs/dbraw/zinc/77/14/08/950771408.db2.gz YYXMSYUSVLMPID-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575928126 950771422 /nfs/dbraw/zinc/77/14/22/950771422.db2.gz YYXMSYUSVLMPID-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765197 950777040 /nfs/dbraw/zinc/77/70/40/950777040.db2.gz AJQFPEJQDQHDCI-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765197 950777052 /nfs/dbraw/zinc/77/70/52/950777052.db2.gz AJQFPEJQDQHDCI-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCCNc3cnc(-c4nnn[n-]4)cn3)cn2C1 ZINC001576217944 950777983 /nfs/dbraw/zinc/77/79/83/950777983.db2.gz PLEBHGQZTQQTHC-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCCNc3cnc(-c4nn[n-]n4)cn3)cn2C1 ZINC001576217944 950777999 /nfs/dbraw/zinc/77/79/99/950777999.db2.gz PLEBHGQZTQQTHC-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576218054 950778979 /nfs/dbraw/zinc/77/89/79/950778979.db2.gz KOEGMQBULKLMTG-KPZWWZAWSA-N -1 1 386.460 0.899 20 0 GCADMM CC1(C)CC(C(=O)NCCN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001575631886 950782062 /nfs/dbraw/zinc/78/20/62/950782062.db2.gz VVINKERYMXLKFA-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC1(C)CC(C(=O)NCCN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001575631886 950782080 /nfs/dbraw/zinc/78/20/80/950782080.db2.gz VVINKERYMXLKFA-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575929309 950784639 /nfs/dbraw/zinc/78/46/39/950784639.db2.gz BPFHVUKTPADMJB-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575929309 950784657 /nfs/dbraw/zinc/78/46/57/950784657.db2.gz BPFHVUKTPADMJB-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573884147 950787467 /nfs/dbraw/zinc/78/74/67/950787467.db2.gz AGKGLOVADDIUJI-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573884147 950787493 /nfs/dbraw/zinc/78/74/93/950787493.db2.gz AGKGLOVADDIUJI-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)co1 ZINC001573884253 950790681 /nfs/dbraw/zinc/79/06/81/950790681.db2.gz BTZJJPXLZGZIQJ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)co1 ZINC001573884253 950790694 /nfs/dbraw/zinc/79/06/94/950790694.db2.gz BTZJJPXLZGZIQJ-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C)n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574765527 950792763 /nfs/dbraw/zinc/79/27/63/950792763.db2.gz DIYGKVRFLZTHDH-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)C1 ZINC001575632262 950793158 /nfs/dbraw/zinc/79/31/58/950793158.db2.gz FFTMOPRKDSKQNN-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)C1 ZINC001575632262 950793162 /nfs/dbraw/zinc/79/31/62/950793162.db2.gz FFTMOPRKDSKQNN-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576218802 950793796 /nfs/dbraw/zinc/79/37/96/950793796.db2.gz RQDNRZNNMFACSU-NXEZZACHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576218802 950793814 /nfs/dbraw/zinc/79/38/14/950793814.db2.gz RQDNRZNNMFACSU-NXEZZACHSA-N -1 1 382.432 0.735 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575632484 950799637 /nfs/dbraw/zinc/79/96/37/950799637.db2.gz JJQAQPYQAOYYEY-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575632484 950799654 /nfs/dbraw/zinc/79/96/54/950799654.db2.gz JJQAQPYQAOYYEY-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574185491 950802450 /nfs/dbraw/zinc/80/24/50/950802450.db2.gz ZDYURGCXJZVOLE-CYBMUJFWSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574185491 950802472 /nfs/dbraw/zinc/80/24/72/950802472.db2.gz ZDYURGCXJZVOLE-CYBMUJFWSA-N -1 1 376.465 0.739 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576219141 950804447 /nfs/dbraw/zinc/80/44/47/950804447.db2.gz SOQDAQDPHVDUIS-MEBBXXQBSA-N -1 1 382.432 0.298 20 0 GCADMM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574185514 950805209 /nfs/dbraw/zinc/80/52/09/950805209.db2.gz ZPWMTECTBBJGNF-WCQYABFASA-N -1 1 375.433 0.850 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575931478 950805160 /nfs/dbraw/zinc/80/51/60/950805160.db2.gz ICIHGWOXKANVFW-VXGBXAGGSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cncn1 ZINC001575931478 950805173 /nfs/dbraw/zinc/80/51/73/950805173.db2.gz ICIHGWOXKANVFW-VXGBXAGGSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576219662 950809550 /nfs/dbraw/zinc/80/95/50/950809550.db2.gz TUXBZQVSTMBBHD-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576219662 950809571 /nfs/dbraw/zinc/80/95/71/950809571.db2.gz TUXBZQVSTMBBHD-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574766693 950821873 /nfs/dbraw/zinc/82/18/73/950821873.db2.gz KJCLDGYMMUPQCV-YFKPBYRVSA-N -1 1 383.829 0.073 20 0 GCADMM CC(C)(C)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573885433 950822150 /nfs/dbraw/zinc/82/21/50/950822150.db2.gz RKRTXRQKLDDFJK-BETUJISGSA-N -1 1 386.416 0.959 20 0 GCADMM CC(C)(C)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573885433 950822176 /nfs/dbraw/zinc/82/21/76/950822176.db2.gz RKRTXRQKLDDFJK-BETUJISGSA-N -1 1 386.416 0.959 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575932749 950829390 /nfs/dbraw/zinc/82/93/90/950829390.db2.gz MMENSLMESQQTDR-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575932749 950829415 /nfs/dbraw/zinc/82/94/15/950829415.db2.gz MMENSLMESQQTDR-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575932685 950830330 /nfs/dbraw/zinc/83/03/30/950830330.db2.gz LRCYQQHMRJEXRQ-GXFFZTMASA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575932685 950830347 /nfs/dbraw/zinc/83/03/47/950830347.db2.gz LRCYQQHMRJEXRQ-GXFFZTMASA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767143 950836341 /nfs/dbraw/zinc/83/63/41/950836341.db2.gz MEYNTMUQAOYYBK-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767143 950836369 /nfs/dbraw/zinc/83/63/69/950836369.db2.gz MEYNTMUQAOYYBK-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767190 950841503 /nfs/dbraw/zinc/84/15/03/950841503.db2.gz MXYAHYQVFLACET-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767190 950841526 /nfs/dbraw/zinc/84/15/26/950841526.db2.gz MXYAHYQVFLACET-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575933746 950844276 /nfs/dbraw/zinc/84/42/76/950844276.db2.gz PMBXLZBGULDMLB-WDSKDSINSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574767493 950855711 /nfs/dbraw/zinc/85/57/11/950855711.db2.gz PCCIMNPJLKIHDH-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574767493 950855734 /nfs/dbraw/zinc/85/57/34/950855734.db2.gz PCCIMNPJLKIHDH-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)COc2ccc(C(N)=O)cc2)n1 ZINC001573887694 950857295 /nfs/dbraw/zinc/85/72/95/950857295.db2.gz JBVUQJYWLZSZAE-UHFFFAOYSA-N -1 1 384.400 0.935 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)COc2ccc(C(N)=O)cc2)n1 ZINC001573887694 950857309 /nfs/dbraw/zinc/85/73/09/950857309.db2.gz JBVUQJYWLZSZAE-UHFFFAOYSA-N -1 1 384.400 0.935 20 0 GCADMM CC(C)(C)c1nsc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001573887706 950857553 /nfs/dbraw/zinc/85/75/53/950857553.db2.gz JPWPJGNZHDOXSU-UHFFFAOYSA-N -1 1 391.417 0.307 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639557 950870076 /nfs/dbraw/zinc/87/00/76/950870076.db2.gz BYZWTDWWHUQKLV-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639557 950870084 /nfs/dbraw/zinc/87/00/84/950870084.db2.gz BYZWTDWWHUQKLV-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575639582 950873541 /nfs/dbraw/zinc/87/35/41/950873541.db2.gz CDNKCBSTJDAFDM-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575639582 950873561 /nfs/dbraw/zinc/87/35/61/950873561.db2.gz CDNKCBSTJDAFDM-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573888620 950874001 /nfs/dbraw/zinc/87/40/01/950874001.db2.gz XPPWXAXSELQKCQ-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573888620 950874018 /nfs/dbraw/zinc/87/40/18/950874018.db2.gz XPPWXAXSELQKCQ-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573888696 950876278 /nfs/dbraw/zinc/87/62/78/950876278.db2.gz YSZRPTQCLTXFKN-UHFFFAOYSA-N -1 1 383.416 0.739 20 0 GCADMM CC(C)(C)n1cnc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)n1 ZINC001573893649 950894745 /nfs/dbraw/zinc/89/47/45/950894745.db2.gz PKUPIHUMQBGGLA-UHFFFAOYSA-N -1 1 387.408 0.025 20 0 GCADMM CC(C)(C)n1cnc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)n1 ZINC001573893649 950894763 /nfs/dbraw/zinc/89/47/63/950894763.db2.gz PKUPIHUMQBGGLA-UHFFFAOYSA-N -1 1 387.408 0.025 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cnon2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575640835 950903778 /nfs/dbraw/zinc/90/37/78/950903778.db2.gz LGMQOVZAZYGMDR-SNVBAGLBSA-N -1 1 384.404 0.465 20 0 GCADMM C[C@@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574769069 950912674 /nfs/dbraw/zinc/91/26/74/950912674.db2.gz ZEDLMPYQIMCMHR-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574769069 950912686 /nfs/dbraw/zinc/91/26/86/950912686.db2.gz ZEDLMPYQIMCMHR-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001573893919 950914506 /nfs/dbraw/zinc/91/45/06/950914506.db2.gz CDLFACXGIOCQCA-TXEJJXNPSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001573893919 950914519 /nfs/dbraw/zinc/91/45/19/950914519.db2.gz CDLFACXGIOCQCA-TXEJJXNPSA-N -1 1 382.432 0.981 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@]23C[C@H]2COC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575641346 950915191 /nfs/dbraw/zinc/91/51/91/950915191.db2.gz OFHVDYOOEWKDES-JMERFSKESA-N -1 1 398.471 0.804 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001573894059 950916830 /nfs/dbraw/zinc/91/68/30/950916830.db2.gz KYQRKTKELUQYME-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001573894059 950916840 /nfs/dbraw/zinc/91/68/40/950916840.db2.gz KYQRKTKELUQYME-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM C[C@H]1CN(C(=O)C2(C)CC2)C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576227518 950917089 /nfs/dbraw/zinc/91/70/89/950917089.db2.gz DKWAJVVUEJGHEC-KPZWWZAWSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001573894047 950917682 /nfs/dbraw/zinc/91/76/82/950917682.db2.gz KAEGQIJOSQFOPT-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001573894047 950917695 /nfs/dbraw/zinc/91/76/95/950917695.db2.gz KAEGQIJOSQFOPT-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]n1 ZINC001575936517 950918167 /nfs/dbraw/zinc/91/81/67/950918167.db2.gz GBZDGHHTDMQEDR-NTSWFWBYSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575936617 950921291 /nfs/dbraw/zinc/92/12/91/950921291.db2.gz GSDJIZGBFXHPQR-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575936617 950921297 /nfs/dbraw/zinc/92/12/97/950921297.db2.gz GSDJIZGBFXHPQR-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001573894104 950923019 /nfs/dbraw/zinc/92/30/19/950923019.db2.gz MAFODXLRKJQUNO-PHIMTYICSA-N -1 1 382.432 0.403 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573894514 950926336 /nfs/dbraw/zinc/92/63/36/950926336.db2.gz UEBOPAZDAFFBQV-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573894514 950926351 /nfs/dbraw/zinc/92/63/51/950926351.db2.gz UEBOPAZDAFFBQV-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC001575936792 950926542 /nfs/dbraw/zinc/92/65/42/950926542.db2.gz IKUMEDCXABIIGR-NEPJUHHUSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC001575936792 950926554 /nfs/dbraw/zinc/92/65/54/950926554.db2.gz IKUMEDCXABIIGR-NEPJUHHUSA-N -1 1 383.420 0.130 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001573894443 950928564 /nfs/dbraw/zinc/92/85/64/950928564.db2.gz RSGGABMZTGSJIL-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001573894443 950928586 /nfs/dbraw/zinc/92/85/86/950928586.db2.gz RSGGABMZTGSJIL-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001573894684 950931168 /nfs/dbraw/zinc/93/11/68/950931168.db2.gz XSOPMZMTNYIQCW-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573894684 950931183 /nfs/dbraw/zinc/93/11/83/950931183.db2.gz XSOPMZMTNYIQCW-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575937269 950941724 /nfs/dbraw/zinc/94/17/24/950941724.db2.gz JRCHYJVHGRCXFE-ZYHUDNBSSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575937269 950941738 /nfs/dbraw/zinc/94/17/38/950941738.db2.gz JRCHYJVHGRCXFE-ZYHUDNBSSA-N -1 1 380.416 0.515 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)CC(F)F ZINC001573896140 950946851 /nfs/dbraw/zinc/94/68/51/950946851.db2.gz GJCOFWGVSZBMJO-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)CC(F)F ZINC001573896140 950946872 /nfs/dbraw/zinc/94/68/72/950946872.db2.gz GJCOFWGVSZBMJO-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC1(C)CC(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001575642730 950950401 /nfs/dbraw/zinc/95/04/01/950950401.db2.gz WGBBAQZKYDOXHB-UHFFFAOYSA-N -1 1 375.433 0.850 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C1CC1 ZINC001573897246 950954805 /nfs/dbraw/zinc/95/48/05/950954805.db2.gz NJCRKFPASVCURC-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C1CC1 ZINC001573897246 950954818 /nfs/dbraw/zinc/95/48/18/950954818.db2.gz NJCRKFPASVCURC-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)CC(F)F ZINC001573897793 950965761 /nfs/dbraw/zinc/96/57/61/950965761.db2.gz SPKJMQRWOMOXHG-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)CC(F)F ZINC001573897793 950965776 /nfs/dbraw/zinc/96/57/76/950965776.db2.gz SPKJMQRWOMOXHG-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573898056 950969593 /nfs/dbraw/zinc/96/95/93/950969593.db2.gz VZPBGSWWTGFQAO-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573898056 950969604 /nfs/dbraw/zinc/96/96/04/950969604.db2.gz VZPBGSWWTGFQAO-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573898326 950973582 /nfs/dbraw/zinc/97/35/82/950973582.db2.gz ZDEPZNRYWZHVKI-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573898326 950973601 /nfs/dbraw/zinc/97/36/01/950973601.db2.gz ZDEPZNRYWZHVKI-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573898331 950974249 /nfs/dbraw/zinc/97/42/49/950974249.db2.gz ZMIYWRZIKDSHJT-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573898331 950974267 /nfs/dbraw/zinc/97/42/67/950974267.db2.gz ZMIYWRZIKDSHJT-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575017176 950980338 /nfs/dbraw/zinc/98/03/38/950980338.db2.gz BLKCCQSGYIIMEO-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575017176 950980370 /nfs/dbraw/zinc/98/03/70/950980370.db2.gz BLKCCQSGYIIMEO-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576230010 950982416 /nfs/dbraw/zinc/98/24/16/950982416.db2.gz KXXYJWPJTXKTQV-NWDGAFQWSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576230010 950982435 /nfs/dbraw/zinc/98/24/35/950982435.db2.gz KXXYJWPJTXKTQV-NWDGAFQWSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H]1CC(=O)N(C)c2ccc(Nc3[nH]c(=O)n(C)c(=O)c3-c3nn[n-]n3)cc21 ZINC001575938552 950985925 /nfs/dbraw/zinc/98/59/25/950985925.db2.gz LNAMQCJOVYHEHB-QMMMGPOBSA-N -1 1 382.384 0.880 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573899832 950990721 /nfs/dbraw/zinc/99/07/21/950990721.db2.gz KVEBMHVKBFBCDC-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573899832 950990735 /nfs/dbraw/zinc/99/07/35/950990735.db2.gz KVEBMHVKBFBCDC-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC(N(CCO)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575644753 950991636 /nfs/dbraw/zinc/99/16/36/950991636.db2.gz WUXXOWBVTUWWFY-CYBMUJFWSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC(N(CCO)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575644753 950991649 /nfs/dbraw/zinc/99/16/49/950991649.db2.gz WUXXOWBVTUWWFY-CYBMUJFWSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575939024 951000921 /nfs/dbraw/zinc/00/09/21/951000921.db2.gz POBJOVDMFMKAGV-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575939024 951000943 /nfs/dbraw/zinc/00/09/43/951000943.db2.gz POBJOVDMFMKAGV-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574195612 951001654 /nfs/dbraw/zinc/00/16/54/951001654.db2.gz UWTPOWJAHQRMMG-KBPBESRZSA-N -1 1 388.476 0.929 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573900391 951005620 /nfs/dbraw/zinc/00/56/20/951005620.db2.gz ZNIAOOWCNBVSHP-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573900391 951005644 /nfs/dbraw/zinc/00/56/44/951005644.db2.gz ZNIAOOWCNBVSHP-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CCOC(=O)c1cc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])on1 ZINC001591091867 951057908 /nfs/dbraw/zinc/05/79/08/951057908.db2.gz IZYMRWWFFWCEII-ONGXEEELSA-N -1 1 393.318 0.947 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575023873 951084573 /nfs/dbraw/zinc/08/45/73/951084573.db2.gz RGFBDCOOVLKRIN-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575023873 951084585 /nfs/dbraw/zinc/08/45/85/951084585.db2.gz RGFBDCOOVLKRIN-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024419 951101868 /nfs/dbraw/zinc/10/18/68/951101868.db2.gz DGVQLSOYGCRBLO-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024419 951101876 /nfs/dbraw/zinc/10/18/76/951101876.db2.gz DGVQLSOYGCRBLO-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024552 951106976 /nfs/dbraw/zinc/10/69/76/951106976.db2.gz HEUCGXWLEWIQSP-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024552 951106983 /nfs/dbraw/zinc/10/69/83/951106983.db2.gz HEUCGXWLEWIQSP-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575024533 951107950 /nfs/dbraw/zinc/10/79/50/951107950.db2.gz GRADEQYKEWDWFU-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575024533 951107956 /nfs/dbraw/zinc/10/79/56/951107956.db2.gz GRADEQYKEWDWFU-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575024789 951115045 /nfs/dbraw/zinc/11/50/45/951115045.db2.gz MSKAOLKABCESLF-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575024789 951115048 /nfs/dbraw/zinc/11/50/48/951115048.db2.gz MSKAOLKABCESLF-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024901 951119774 /nfs/dbraw/zinc/11/97/74/951119774.db2.gz PMDJIAFIRZKFTN-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024901 951119787 /nfs/dbraw/zinc/11/97/87/951119787.db2.gz PMDJIAFIRZKFTN-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025309 951128527 /nfs/dbraw/zinc/12/85/27/951128527.db2.gz XRBISVQMICXEOI-LLVKDONJSA-N -1 1 380.412 0.942 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025309 951128532 /nfs/dbraw/zinc/12/85/32/951128532.db2.gz XRBISVQMICXEOI-LLVKDONJSA-N -1 1 380.412 0.942 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575025296 951128835 /nfs/dbraw/zinc/12/88/35/951128835.db2.gz XCKWUCLZNOJZRU-SNVBAGLBSA-N -1 1 385.407 0.514 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(-n2cccn2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575026973 951150503 /nfs/dbraw/zinc/15/05/03/951150503.db2.gz OPWGMRHZSRNAHS-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(-n2cccn2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575026973 951150510 /nfs/dbraw/zinc/15/05/10/951150510.db2.gz OPWGMRHZSRNAHS-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575027572 951161040 /nfs/dbraw/zinc/16/10/40/951161040.db2.gz GJMGKUSONPDGNN-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575027572 951161046 /nfs/dbraw/zinc/16/10/46/951161046.db2.gz GJMGKUSONPDGNN-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575027667 951162365 /nfs/dbraw/zinc/16/23/65/951162365.db2.gz HUBNQXMFBABZET-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575027667 951162372 /nfs/dbraw/zinc/16/23/72/951162372.db2.gz HUBNQXMFBABZET-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575028549 951174530 /nfs/dbraw/zinc/17/45/30/951174530.db2.gz OCNWFCALJLXNNF-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575028549 951174542 /nfs/dbraw/zinc/17/45/42/951174542.db2.gz OCNWFCALJLXNNF-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575028431 951174778 /nfs/dbraw/zinc/17/47/78/951174778.db2.gz XDUYSWCYTZEVIF-SNVBAGLBSA-N -1 1 391.399 0.672 20 0 GCADMM C[C@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575028431 951174784 /nfs/dbraw/zinc/17/47/84/951174784.db2.gz XDUYSWCYTZEVIF-SNVBAGLBSA-N -1 1 391.399 0.672 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575029291 951185673 /nfs/dbraw/zinc/18/56/73/951185673.db2.gz SIOUAKVOYNTDNC-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575029291 951185680 /nfs/dbraw/zinc/18/56/80/951185680.db2.gz SIOUAKVOYNTDNC-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029377 951186121 /nfs/dbraw/zinc/18/61/21/951186121.db2.gz TYCMNHMIVPPHAR-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029377 951186129 /nfs/dbraw/zinc/18/61/29/951186129.db2.gz TYCMNHMIVPPHAR-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575031740 951201841 /nfs/dbraw/zinc/20/18/41/951201841.db2.gz HXXWXQTYTZTGRV-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575031740 951201851 /nfs/dbraw/zinc/20/18/51/951201851.db2.gz HXXWXQTYTZTGRV-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575033841 951229721 /nfs/dbraw/zinc/22/97/21/951229721.db2.gz CKAFSICCRNSSLT-VIFPVBQESA-N -1 1 392.374 0.018 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575033973 951234562 /nfs/dbraw/zinc/23/45/62/951234562.db2.gz FSTWAUYLEWQYQZ-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575034990 951263538 /nfs/dbraw/zinc/26/35/38/951263538.db2.gz RSULCEUKBHFWAQ-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575034990 951263557 /nfs/dbraw/zinc/26/35/57/951263557.db2.gz RSULCEUKBHFWAQ-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575035226 951271497 /nfs/dbraw/zinc/27/14/97/951271497.db2.gz HZKAJSCUJXYUFU-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575035226 951271510 /nfs/dbraw/zinc/27/15/10/951271510.db2.gz HZKAJSCUJXYUFU-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575035227 951271699 /nfs/dbraw/zinc/27/16/99/951271699.db2.gz HZKAJSCUJXYUFU-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575035227 951271710 /nfs/dbraw/zinc/27/17/10/951271710.db2.gz HZKAJSCUJXYUFU-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575035340 951274865 /nfs/dbraw/zinc/27/48/65/951274865.db2.gz XDXIPDWUVFDBAC-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575035340 951274877 /nfs/dbraw/zinc/27/48/77/951274877.db2.gz XDXIPDWUVFDBAC-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575035992 951286721 /nfs/dbraw/zinc/28/67/21/951286721.db2.gz OGAITQUKRLYFNA-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575035992 951286734 /nfs/dbraw/zinc/28/67/34/951286734.db2.gz OGAITQUKRLYFNA-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C)n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575036638 951298573 /nfs/dbraw/zinc/29/85/73/951298573.db2.gz UTAIQNVMMMDRBD-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575042155 951354841 /nfs/dbraw/zinc/35/48/41/951354841.db2.gz GNPIPJBSYKLRCV-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575042155 951354851 /nfs/dbraw/zinc/35/48/51/951354851.db2.gz GNPIPJBSYKLRCV-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575042154 951355161 /nfs/dbraw/zinc/35/51/61/951355161.db2.gz GNPIPJBSYKLRCV-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575042154 951355171 /nfs/dbraw/zinc/35/51/71/951355171.db2.gz GNPIPJBSYKLRCV-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575042310 951357929 /nfs/dbraw/zinc/35/79/29/951357929.db2.gz ICYZUVNTQLNWGD-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575042310 951357943 /nfs/dbraw/zinc/35/79/43/951357943.db2.gz ICYZUVNTQLNWGD-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575042293 951358653 /nfs/dbraw/zinc/35/86/53/951358653.db2.gz IARISHGSQWIFGX-JTQLQIEISA-N -1 1 383.420 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575042293 951358664 /nfs/dbraw/zinc/35/86/64/951358664.db2.gz IARISHGSQWIFGX-JTQLQIEISA-N -1 1 383.420 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575042284 951360377 /nfs/dbraw/zinc/36/03/77/951360377.db2.gz HZEOSVFXZQMBFS-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575042284 951360392 /nfs/dbraw/zinc/36/03/92/951360392.db2.gz HZEOSVFXZQMBFS-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042631 951366537 /nfs/dbraw/zinc/36/65/37/951366537.db2.gz LJIQWNXJKYVGGK-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042631 951366556 /nfs/dbraw/zinc/36/65/56/951366556.db2.gz LJIQWNXJKYVGGK-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575042925 951376153 /nfs/dbraw/zinc/37/61/53/951376153.db2.gz NDNLJYJSRXRGCM-SNVBAGLBSA-N -1 1 382.432 0.168 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575042931 951376599 /nfs/dbraw/zinc/37/65/99/951376599.db2.gz DIQFAVHVJFOKQH-JTQLQIEISA-N -1 1 380.416 0.224 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2cnccc2c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575043002 951377686 /nfs/dbraw/zinc/37/76/86/951377686.db2.gz FJARJIZPTGEKMQ-LLVKDONJSA-N -1 1 390.411 0.500 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)cn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575043343 951388592 /nfs/dbraw/zinc/38/85/92/951388592.db2.gz QQSIUFXDENXPDC-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)cn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575043343 951388605 /nfs/dbraw/zinc/38/86/05/951388605.db2.gz QQSIUFXDENXPDC-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044206 951411510 /nfs/dbraw/zinc/41/15/10/951411510.db2.gz PTMOBSREIGRLKH-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044206 951411517 /nfs/dbraw/zinc/41/15/17/951411517.db2.gz PTMOBSREIGRLKH-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044287 951412885 /nfs/dbraw/zinc/41/28/85/951412885.db2.gz YRNJTKXMFYNXHB-JTQLQIEISA-N -1 1 383.420 0.451 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044287 951412890 /nfs/dbraw/zinc/41/28/90/951412890.db2.gz YRNJTKXMFYNXHB-JTQLQIEISA-N -1 1 383.420 0.451 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575044344 951413655 /nfs/dbraw/zinc/41/36/55/951413655.db2.gz ZCPMWXQOINLRJQ-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575044344 951413661 /nfs/dbraw/zinc/41/36/61/951413661.db2.gz ZCPMWXQOINLRJQ-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2cc[nH]c2c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575044299 951413989 /nfs/dbraw/zinc/41/39/89/951413989.db2.gz RBPZHCBNZROFMA-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2cc[nH]c2c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575044299 951413992 /nfs/dbraw/zinc/41/39/92/951413992.db2.gz RBPZHCBNZROFMA-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575044999 951422690 /nfs/dbraw/zinc/42/26/90/951422690.db2.gz YTHGOUVNFKQXAO-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575044999 951422701 /nfs/dbraw/zinc/42/27/01/951422701.db2.gz YTHGOUVNFKQXAO-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575045642 951430109 /nfs/dbraw/zinc/43/01/09/951430109.db2.gz FZDYEIVDKONHTC-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575045642 951430125 /nfs/dbraw/zinc/43/01/25/951430125.db2.gz FZDYEIVDKONHTC-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575047036 951453372 /nfs/dbraw/zinc/45/33/72/951453372.db2.gz XPMFQJYFNNPQNI-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575047036 951453377 /nfs/dbraw/zinc/45/33/77/951453377.db2.gz XPMFQJYFNNPQNI-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575052540 951469719 /nfs/dbraw/zinc/46/97/19/951469719.db2.gz LFTZDTVYTBYTKV-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575052540 951469728 /nfs/dbraw/zinc/46/97/28/951469728.db2.gz LFTZDTVYTBYTKV-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575053215 951476094 /nfs/dbraw/zinc/47/60/94/951476094.db2.gz RLXFFVOZECEAQG-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575053215 951476097 /nfs/dbraw/zinc/47/60/97/951476097.db2.gz RLXFFVOZECEAQG-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575053693 951480392 /nfs/dbraw/zinc/48/03/92/951480392.db2.gz UMXOFZPXDFNBAY-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575053693 951480402 /nfs/dbraw/zinc/48/04/02/951480402.db2.gz UMXOFZPXDFNBAY-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575053759 951482924 /nfs/dbraw/zinc/48/29/24/951482924.db2.gz DOWDZVUPHRVRDJ-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575053759 951482934 /nfs/dbraw/zinc/48/29/34/951482934.db2.gz DOWDZVUPHRVRDJ-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575053736 951483709 /nfs/dbraw/zinc/48/37/09/951483709.db2.gz UZVXGYBZGQGCJF-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575053736 951483715 /nfs/dbraw/zinc/48/37/15/951483715.db2.gz UZVXGYBZGQGCJF-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575054190 951488956 /nfs/dbraw/zinc/48/89/56/951488956.db2.gz XFEADLRWSAGKEJ-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575054190 951488964 /nfs/dbraw/zinc/48/89/64/951488964.db2.gz XFEADLRWSAGKEJ-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575054297 951490485 /nfs/dbraw/zinc/49/04/85/951490485.db2.gz IBWQAALIZGQSAL-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575054297 951490497 /nfs/dbraw/zinc/49/04/97/951490497.db2.gz IBWQAALIZGQSAL-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575054271 951490836 /nfs/dbraw/zinc/49/08/36/951490836.db2.gz HKBHUBOIBWHFQD-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575054271 951490844 /nfs/dbraw/zinc/49/08/44/951490844.db2.gz HKBHUBOIBWHFQD-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575055590 951508835 /nfs/dbraw/zinc/50/88/35/951508835.db2.gz XXZUVJLPXSUDED-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1conc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575056997 951524875 /nfs/dbraw/zinc/52/48/75/951524875.db2.gz NOYILEDJQYZJDZ-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1conc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575056997 951524883 /nfs/dbraw/zinc/52/48/83/951524883.db2.gz NOYILEDJQYZJDZ-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575057786 951530502 /nfs/dbraw/zinc/53/05/02/951530502.db2.gz QKJCXUHDOJPVFZ-JTQLQIEISA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575058845 951535917 /nfs/dbraw/zinc/53/59/17/951535917.db2.gz VULHSRUCIJTGKV-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575058845 951535928 /nfs/dbraw/zinc/53/59/28/951535928.db2.gz VULHSRUCIJTGKV-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575059330 951539695 /nfs/dbraw/zinc/53/96/95/951539695.db2.gz ZNMRJYXABPDSCA-JTQLQIEISA-N -1 1 383.416 0.852 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575059330 951539699 /nfs/dbraw/zinc/53/96/99/951539699.db2.gz ZNMRJYXABPDSCA-JTQLQIEISA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575060847 951550221 /nfs/dbraw/zinc/55/02/21/951550221.db2.gz ICFFAWVERLVWAJ-SNVBAGLBSA-N -1 1 382.432 0.301 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575061566 951557119 /nfs/dbraw/zinc/55/71/19/951557119.db2.gz NJWAZCCLQAJCFR-SNVBAGLBSA-N -1 1 382.432 0.513 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)N=c1cc[nH]c(-c2nn[n-]n2)n1 ZINC001575064756 951576567 /nfs/dbraw/zinc/57/65/67/951576567.db2.gz CVXLPQFTXUVJIE-VHSXEESVSA-N -1 1 385.388 0.149 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575064668 951577288 /nfs/dbraw/zinc/57/72/88/951577288.db2.gz CCVYDSGPKGZQAE-ONGXEEELSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575064668 951577300 /nfs/dbraw/zinc/57/73/00/951577300.db2.gz CCVYDSGPKGZQAE-ONGXEEELSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575064664 951577323 /nfs/dbraw/zinc/57/73/23/951577323.db2.gz CCVYDSGPKGZQAE-KOLCDFICSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575064664 951577334 /nfs/dbraw/zinc/57/73/34/951577334.db2.gz CCVYDSGPKGZQAE-KOLCDFICSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575064803 951578081 /nfs/dbraw/zinc/57/80/81/951578081.db2.gz DHOMLUBAZDBPSE-ZETCQYMHSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575064803 951578089 /nfs/dbraw/zinc/57/80/89/951578089.db2.gz DHOMLUBAZDBPSE-ZETCQYMHSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575064916 951578823 /nfs/dbraw/zinc/57/88/23/951578823.db2.gz FHDDKKOHJLPJNB-VIFPVBQESA-N -1 1 385.388 0.195 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575064916 951578836 /nfs/dbraw/zinc/57/88/36/951578836.db2.gz FHDDKKOHJLPJNB-VIFPVBQESA-N -1 1 385.388 0.195 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575064798 951579486 /nfs/dbraw/zinc/57/94/86/951579486.db2.gz DHOMLUBAZDBPSE-SSDOTTSWSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575064798 951579493 /nfs/dbraw/zinc/57/94/93/951579493.db2.gz DHOMLUBAZDBPSE-SSDOTTSWSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575066987 951601275 /nfs/dbraw/zinc/60/12/75/951601275.db2.gz OMIWOPVWXFCTGM-SNVBAGLBSA-N -1 1 383.416 0.423 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575066941 951601705 /nfs/dbraw/zinc/60/17/05/951601705.db2.gz NUKAZVZTQMEPSY-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575067497 951614028 /nfs/dbraw/zinc/61/40/28/951614028.db2.gz UFIJNCCFTYKRKF-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575067497 951614034 /nfs/dbraw/zinc/61/40/34/951614034.db2.gz UFIJNCCFTYKRKF-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575067555 951615943 /nfs/dbraw/zinc/61/59/43/951615943.db2.gz VFSAPFHZDSFOJZ-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575067555 951615958 /nfs/dbraw/zinc/61/59/58/951615958.db2.gz VFSAPFHZDSFOJZ-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001575067655 951618976 /nfs/dbraw/zinc/61/89/76/951618976.db2.gz WWAURPCAOOYLDK-UWVGGRQHSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001575067655 951618979 /nfs/dbraw/zinc/61/89/79/951618979.db2.gz WWAURPCAOOYLDK-UWVGGRQHSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575069679 951645614 /nfs/dbraw/zinc/64/56/14/951645614.db2.gz LPVJEEALDFDLTN-MRVPVSSYSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575069679 951645617 /nfs/dbraw/zinc/64/56/17/951645617.db2.gz LPVJEEALDFDLTN-MRVPVSSYSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575071295 951658304 /nfs/dbraw/zinc/65/83/04/951658304.db2.gz ZITLRGKDRDNILK-MRVPVSSYSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575071295 951658311 /nfs/dbraw/zinc/65/83/11/951658311.db2.gz ZITLRGKDRDNILK-MRVPVSSYSA-N -1 1 386.445 0.640 20 0 GCADMM O=C([O-])CN1CCC[C@H](C(=O)NCC2(CN3CCOCC3)CCCCC2)C1=O ZINC001595082892 951702869 /nfs/dbraw/zinc/70/28/69/951702869.db2.gz HJLYIMNOQJQARG-MRXNPFEDSA-N -1 1 395.500 0.709 20 0 GCADMM O=C([O-])CN1CCC[C@@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)C1=O ZINC001595087765 951750360 /nfs/dbraw/zinc/75/03/60/951750360.db2.gz XXMIIZPWRBQKQM-KRWDZBQOSA-N -1 1 395.500 0.661 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NC(=O)C2CCC(N3CCOCC3)CC2)C1=O ZINC001595089794 951761087 /nfs/dbraw/zinc/76/10/87/951761087.db2.gz ICALMZSBSPUTDN-UYSNPLJNSA-N -1 1 381.473 0.459 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)C1=O ZINC001595090811 951772150 /nfs/dbraw/zinc/77/21/50/951772150.db2.gz KGKLPNYVXOVWKT-HIFRSBDPSA-N -1 1 386.412 0.659 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)C1=O ZINC001595091289 951776873 /nfs/dbraw/zinc/77/68/73/951776873.db2.gz PCONAEVADRBPDA-HZSPNIEDSA-N -1 1 384.502 0.331 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2CCCN3CCSC[C@H]23)C1=O ZINC001595091291 951777579 /nfs/dbraw/zinc/77/75/79/951777579.db2.gz PCONAEVADRBPDA-MELADBBJSA-N -1 1 384.502 0.331 20 0 GCADMM O=C([O-])COCCOCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC001595113654 951927996 /nfs/dbraw/zinc/92/79/96/951927996.db2.gz FHDQYKNFWFZRPU-CYBMUJFWSA-N -1 1 381.433 0.689 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575129081 952076874 /nfs/dbraw/zinc/07/68/74/952076874.db2.gz QMFXLAPSPQEQKN-QGZVFWFLSA-N -1 1 382.432 0.709 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575129081 952076884 /nfs/dbraw/zinc/07/68/84/952076884.db2.gz QMFXLAPSPQEQKN-QGZVFWFLSA-N -1 1 382.432 0.709 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575129666 952082911 /nfs/dbraw/zinc/08/29/11/952082911.db2.gz YIASLHJJLJWDKO-BMLIUANNSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575129666 952082920 /nfs/dbraw/zinc/08/29/20/952082920.db2.gz YIASLHJJLJWDKO-BMLIUANNSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575129630 952082995 /nfs/dbraw/zinc/08/29/95/952082995.db2.gz XRNZVHZTCPMRAY-SJKOYZFVSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575129630 952083005 /nfs/dbraw/zinc/08/30/05/952083005.db2.gz XRNZVHZTCPMRAY-SJKOYZFVSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575131794 952088368 /nfs/dbraw/zinc/08/83/68/952088368.db2.gz BOCDZCACSOAXEG-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575131794 952088378 /nfs/dbraw/zinc/08/83/78/952088378.db2.gz BOCDZCACSOAXEG-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575131835 952088430 /nfs/dbraw/zinc/08/84/30/952088430.db2.gz BXKNGIURZJWNIJ-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575131833 952089313 /nfs/dbraw/zinc/08/93/13/952089313.db2.gz BXKNGIURZJWNIJ-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM O=C([O-])Cn1cc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)nn1 ZINC001595143250 952098877 /nfs/dbraw/zinc/09/88/77/952098877.db2.gz XACVNBQACHSQIU-UHFFFAOYSA-N -1 1 386.456 0.300 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575133285 952102426 /nfs/dbraw/zinc/10/24/26/952102426.db2.gz DFTFEDYNAJJSHE-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575133285 952102430 /nfs/dbraw/zinc/10/24/30/952102430.db2.gz DFTFEDYNAJJSHE-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575133292 952102799 /nfs/dbraw/zinc/10/27/99/952102799.db2.gz DIPCORZVTULUEG-UGSOOPFHSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575133389 952103563 /nfs/dbraw/zinc/10/35/63/952103563.db2.gz KJVVKIZKVBLVLN-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575133648 952105580 /nfs/dbraw/zinc/10/55/80/952105580.db2.gz FRLLBTHFINKRTQ-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575133648 952105587 /nfs/dbraw/zinc/10/55/87/952105587.db2.gz FRLLBTHFINKRTQ-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575133705 952105896 /nfs/dbraw/zinc/10/58/96/952105896.db2.gz GCNSBXKPTLKGBO-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575133705 952105902 /nfs/dbraw/zinc/10/59/02/952105902.db2.gz GCNSBXKPTLKGBO-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575133650 952106141 /nfs/dbraw/zinc/10/61/41/952106141.db2.gz FRLLBTHFINKRTQ-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575133650 952106148 /nfs/dbraw/zinc/10/61/48/952106148.db2.gz FRLLBTHFINKRTQ-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575134067 952106858 /nfs/dbraw/zinc/10/68/58/952106858.db2.gz LWALEPIDEWLXQG-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575134067 952106865 /nfs/dbraw/zinc/10/68/65/952106865.db2.gz LWALEPIDEWLXQG-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575134065 952106995 /nfs/dbraw/zinc/10/69/95/952106995.db2.gz LWALEPIDEWLXQG-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575134065 952106998 /nfs/dbraw/zinc/10/69/98/952106998.db2.gz LWALEPIDEWLXQG-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncc(F)cc1F ZINC001575134429 952111038 /nfs/dbraw/zinc/11/10/38/952111038.db2.gz IDDCUIKNKRDXKL-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncc(F)cc1F ZINC001575134429 952111045 /nfs/dbraw/zinc/11/10/45/952111045.db2.gz IDDCUIKNKRDXKL-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575135018 952114195 /nfs/dbraw/zinc/11/41/95/952114195.db2.gz JOYJWWFOTUZPSW-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575135018 952114200 /nfs/dbraw/zinc/11/42/00/952114200.db2.gz JOYJWWFOTUZPSW-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575136275 952124407 /nfs/dbraw/zinc/12/44/07/952124407.db2.gz OFSIUTZUTMAPPG-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575136275 952124414 /nfs/dbraw/zinc/12/44/14/952124414.db2.gz OFSIUTZUTMAPPG-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575136344 952124662 /nfs/dbraw/zinc/12/46/62/952124662.db2.gz OQDYMPPAJMCIMC-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575136344 952124665 /nfs/dbraw/zinc/12/46/65/952124665.db2.gz OQDYMPPAJMCIMC-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575136824 952129375 /nfs/dbraw/zinc/12/93/75/952129375.db2.gz XISKUNIUZGUAIC-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575136824 952129387 /nfs/dbraw/zinc/12/93/87/952129387.db2.gz XISKUNIUZGUAIC-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575137058 952133980 /nfs/dbraw/zinc/13/39/80/952133980.db2.gz SPWNYYLHVOCQIF-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575137058 952133986 /nfs/dbraw/zinc/13/39/86/952133986.db2.gz SPWNYYLHVOCQIF-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575137136 952134063 /nfs/dbraw/zinc/13/40/63/952134063.db2.gz UXMMDVWNVKIICP-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575137136 952134069 /nfs/dbraw/zinc/13/40/69/952134069.db2.gz UXMMDVWNVKIICP-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575137173 952135525 /nfs/dbraw/zinc/13/55/25/952135525.db2.gz VJYKRXMNIAYOEX-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575137173 952135531 /nfs/dbraw/zinc/13/55/31/952135531.db2.gz VJYKRXMNIAYOEX-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575137440 952138849 /nfs/dbraw/zinc/13/88/49/952138849.db2.gz ZFDOCBSZNXLFHA-XIKOKIGWSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575139713 952140399 /nfs/dbraw/zinc/14/03/99/952140399.db2.gz BDSVKAWKNUKTPE-KRWDZBQOSA-N -1 1 383.391 0.623 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575139784 952142496 /nfs/dbraw/zinc/14/24/96/952142496.db2.gz CAZGCPBCHMPVLB-OLZOCXBDSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575143379 952152467 /nfs/dbraw/zinc/15/24/67/952152467.db2.gz AAZSEQIEFAICNC-LLVKDONJSA-N -1 1 382.432 0.112 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575143412 952153627 /nfs/dbraw/zinc/15/36/27/952153627.db2.gz PJKLUUBIZAPDJF-LBPRGKRZSA-N -1 1 379.428 0.464 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575143688 952155790 /nfs/dbraw/zinc/15/57/90/952155790.db2.gz CCBRQGAGVANRRV-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575143814 952158113 /nfs/dbraw/zinc/15/81/13/952158113.db2.gz CSSTWKBSNUXRHN-SNVBAGLBSA-N -1 1 383.416 0.592 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575144044 952161184 /nfs/dbraw/zinc/16/11/84/952161184.db2.gz FSVMCSNVVJDLLF-SNVBAGLBSA-N -1 1 383.416 0.907 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575144797 952172581 /nfs/dbraw/zinc/17/25/81/952172581.db2.gz LSMDMZLEYLMHAS-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575144875 952173935 /nfs/dbraw/zinc/17/39/35/952173935.db2.gz MYXOFBWEXQIGKX-VIFPVBQESA-N -1 1 385.457 0.985 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575145128 952178719 /nfs/dbraw/zinc/17/87/19/952178719.db2.gz QTNRVIMCPYDGLA-NSHDSACASA-N -1 1 380.412 0.681 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575145225 952180056 /nfs/dbraw/zinc/18/00/56/952180056.db2.gz STWKUBBIMWGARE-JTQLQIEISA-N -1 1 385.432 0.937 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575145197 952180239 /nfs/dbraw/zinc/18/02/39/952180239.db2.gz SELDIHGZPZHJOE-SSDOTTSWSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575145310 952182010 /nfs/dbraw/zinc/18/20/10/952182010.db2.gz VODVLYZVNOYVOF-SNVBAGLBSA-N -1 1 383.416 0.518 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001575152986 952204623 /nfs/dbraw/zinc/20/46/23/952204623.db2.gz BSUXAUXLRCLZQE-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001575152986 952204625 /nfs/dbraw/zinc/20/46/25/952204625.db2.gz BSUXAUXLRCLZQE-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575153059 952204802 /nfs/dbraw/zinc/20/48/02/952204802.db2.gz CPKJIHFRFIKHRM-PXAZEXFGSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575153059 952204806 /nfs/dbraw/zinc/20/48/06/952204806.db2.gz CPKJIHFRFIKHRM-PXAZEXFGSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575153610 952211727 /nfs/dbraw/zinc/21/17/27/952211727.db2.gz IUSLZDPWAUMSFQ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575153610 952211732 /nfs/dbraw/zinc/21/17/32/952211732.db2.gz IUSLZDPWAUMSFQ-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1N(C)C ZINC001575154655 952228902 /nfs/dbraw/zinc/22/89/02/952228902.db2.gz HBMWCKSSNPNQEQ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1N(C)C ZINC001575154655 952228910 /nfs/dbraw/zinc/22/89/10/952228910.db2.gz HBMWCKSSNPNQEQ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575154738 952231270 /nfs/dbraw/zinc/23/12/70/952231270.db2.gz HPRMFGKJEDXMEX-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1noc2c1COCC2 ZINC001575155561 952242729 /nfs/dbraw/zinc/24/27/29/952242729.db2.gz NJDFOKUHWQLYNI-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1noc2c1COCC2 ZINC001575155561 952242734 /nfs/dbraw/zinc/24/27/34/952242734.db2.gz NJDFOKUHWQLYNI-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575155858 952244945 /nfs/dbraw/zinc/24/49/45/952244945.db2.gz PLKCZFSDMJDCTR-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575155858 952244955 /nfs/dbraw/zinc/24/49/55/952244955.db2.gz PLKCZFSDMJDCTR-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575155861 952246017 /nfs/dbraw/zinc/24/60/17/952246017.db2.gz PLKCZFSDMJDCTR-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575155861 952246019 /nfs/dbraw/zinc/24/60/19/952246019.db2.gz PLKCZFSDMJDCTR-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575155957 952246700 /nfs/dbraw/zinc/24/67/00/952246700.db2.gz BCXJHCWFTSHETJ-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575155957 952246705 /nfs/dbraw/zinc/24/67/05/952246705.db2.gz BCXJHCWFTSHETJ-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575155981 952247010 /nfs/dbraw/zinc/24/70/10/952247010.db2.gz BFCKCOWSFDGDDM-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575155981 952247013 /nfs/dbraw/zinc/24/70/13/952247013.db2.gz BFCKCOWSFDGDDM-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575156456 952252853 /nfs/dbraw/zinc/25/28/53/952252853.db2.gz FTFFTDFOMKJYKB-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575156456 952252856 /nfs/dbraw/zinc/25/28/56/952252856.db2.gz FTFFTDFOMKJYKB-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc2nccn2c1 ZINC001575156706 952256303 /nfs/dbraw/zinc/25/63/03/952256303.db2.gz HQOLTXYQWUVWEH-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2nccn2c1 ZINC001575156706 952256311 /nfs/dbraw/zinc/25/63/11/952256311.db2.gz HQOLTXYQWUVWEH-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncc(F)cc1F ZINC001575157242 952261007 /nfs/dbraw/zinc/26/10/07/952261007.db2.gz YILBVVZRAZBBOG-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncc(F)cc1F ZINC001575157242 952261015 /nfs/dbraw/zinc/26/10/15/952261015.db2.gz YILBVVZRAZBBOG-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccn2nccc12 ZINC001575157352 952262828 /nfs/dbraw/zinc/26/28/28/952262828.db2.gz LTEAEFRSBKUPLK-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccn2nccc12 ZINC001575157352 952262835 /nfs/dbraw/zinc/26/28/35/952262835.db2.gz LTEAEFRSBKUPLK-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575157389 952264145 /nfs/dbraw/zinc/26/41/45/952264145.db2.gz ZWBJAILQPVSZNT-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575157389 952264156 /nfs/dbraw/zinc/26/41/56/952264156.db2.gz ZWBJAILQPVSZNT-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575157372 952264677 /nfs/dbraw/zinc/26/46/77/952264677.db2.gz ZQWGIAMLAPCHAI-KRWDZBQOSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575157372 952264682 /nfs/dbraw/zinc/26/46/82/952264682.db2.gz ZQWGIAMLAPCHAI-KRWDZBQOSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575158064 952269416 /nfs/dbraw/zinc/26/94/16/952269416.db2.gz RRSYSOCVKWCISY-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575158064 952269422 /nfs/dbraw/zinc/26/94/22/952269422.db2.gz RRSYSOCVKWCISY-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575158066 952269764 /nfs/dbraw/zinc/26/97/64/952269764.db2.gz RRSYSOCVKWCISY-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575158066 952269770 /nfs/dbraw/zinc/26/97/70/952269770.db2.gz RRSYSOCVKWCISY-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575158055 952270198 /nfs/dbraw/zinc/27/01/98/952270198.db2.gz RNRGQGSZTOODRU-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575158055 952270205 /nfs/dbraw/zinc/27/02/05/952270205.db2.gz RNRGQGSZTOODRU-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575158319 952270262 /nfs/dbraw/zinc/27/02/62/952270262.db2.gz SXFSZMPJLLNUGU-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575158319 952270268 /nfs/dbraw/zinc/27/02/68/952270268.db2.gz SXFSZMPJLLNUGU-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c(F)cncc1F ZINC001575158008 952270396 /nfs/dbraw/zinc/27/03/96/952270396.db2.gz QWLSMUCOFHZFSE-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cncc1F ZINC001575158008 952270402 /nfs/dbraw/zinc/27/04/02/952270402.db2.gz QWLSMUCOFHZFSE-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575158413 952271982 /nfs/dbraw/zinc/27/19/82/952271982.db2.gz VBABAPAKWZPDBE-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575158413 952271988 /nfs/dbraw/zinc/27/19/88/952271988.db2.gz VBABAPAKWZPDBE-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1nccn2ccnc12 ZINC001575158461 952272100 /nfs/dbraw/zinc/27/21/00/952272100.db2.gz VQAKUKQIBUKYFW-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1nccn2ccnc12 ZINC001575158461 952272107 /nfs/dbraw/zinc/27/21/07/952272107.db2.gz VQAKUKQIBUKYFW-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575166474 952325532 /nfs/dbraw/zinc/32/55/32/952325532.db2.gz WLKZONLQTGHAII-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575166474 952325540 /nfs/dbraw/zinc/32/55/40/952325540.db2.gz WLKZONLQTGHAII-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575166784 952330706 /nfs/dbraw/zinc/33/07/06/952330706.db2.gz ZDEPPULRXACGDP-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575174093 952363163 /nfs/dbraw/zinc/36/31/63/952363163.db2.gz GZHURDAIAGFZKD-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575174093 952363169 /nfs/dbraw/zinc/36/31/69/952363169.db2.gz GZHURDAIAGFZKD-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575174346 952369408 /nfs/dbraw/zinc/36/94/08/952369408.db2.gz MPZLWYDIPTVGKU-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575174346 952369416 /nfs/dbraw/zinc/36/94/16/952369416.db2.gz MPZLWYDIPTVGKU-KRWDZBQOSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575174363 952371348 /nfs/dbraw/zinc/37/13/48/952371348.db2.gz MWYPTZPPSNQKFZ-JKSUJKDBSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575174363 952371356 /nfs/dbraw/zinc/37/13/56/952371356.db2.gz MWYPTZPPSNQKFZ-JKSUJKDBSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575174367 952371936 /nfs/dbraw/zinc/37/19/36/952371936.db2.gz NABJCSLTINEGFG-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575174367 952371943 /nfs/dbraw/zinc/37/19/43/952371943.db2.gz NABJCSLTINEGFG-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575174553 952374922 /nfs/dbraw/zinc/37/49/22/952374922.db2.gz QOANHMHCRIJJLB-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575174553 952374927 /nfs/dbraw/zinc/37/49/27/952374927.db2.gz QOANHMHCRIJJLB-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575174550 952375366 /nfs/dbraw/zinc/37/53/66/952375366.db2.gz QOANHMHCRIJJLB-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575174550 952375372 /nfs/dbraw/zinc/37/53/72/952375372.db2.gz QOANHMHCRIJJLB-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](COc1ccc(F)cc1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575176475 952393624 /nfs/dbraw/zinc/39/36/24/952393624.db2.gz HNBNOUPDSWJYKQ-SNVBAGLBSA-N -1 1 375.368 0.364 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)n1 ZINC001575176626 952396364 /nfs/dbraw/zinc/39/63/64/952396364.db2.gz FDWOBPNHGHCVDU-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)n1 ZINC001575176626 952396372 /nfs/dbraw/zinc/39/63/72/952396372.db2.gz FDWOBPNHGHCVDU-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575177701 952402846 /nfs/dbraw/zinc/40/28/46/952402846.db2.gz JBUYRIWIZSQBIH-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575177701 952402848 /nfs/dbraw/zinc/40/28/48/952402848.db2.gz JBUYRIWIZSQBIH-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575178151 952405575 /nfs/dbraw/zinc/40/55/75/952405575.db2.gz KXXQWXHISZTAOS-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575178151 952405577 /nfs/dbraw/zinc/40/55/77/952405577.db2.gz KXXQWXHISZTAOS-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575178273 952406926 /nfs/dbraw/zinc/40/69/26/952406926.db2.gz LSPKUTZZYCKBPG-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575178273 952406928 /nfs/dbraw/zinc/40/69/28/952406928.db2.gz LSPKUTZZYCKBPG-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](COc1ccccc1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575178448 952408035 /nfs/dbraw/zinc/40/80/35/952408035.db2.gz PUSGXDDCFGQCIO-LLVKDONJSA-N -1 1 385.384 0.103 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575178874 952409170 /nfs/dbraw/zinc/40/91/70/952409170.db2.gz OKVHFQKGDNITKR-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575178874 952409172 /nfs/dbraw/zinc/40/91/72/952409172.db2.gz OKVHFQKGDNITKR-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](COCC1CCCCC1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575179077 952410538 /nfs/dbraw/zinc/41/05/38/952410538.db2.gz SMTQNASHXUJCQZ-LBPRGKRZSA-N -1 1 377.453 0.743 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575179614 952413216 /nfs/dbraw/zinc/41/32/16/952413216.db2.gz QGUMFCWUXPIWCY-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575179614 952413219 /nfs/dbraw/zinc/41/32/19/952413219.db2.gz QGUMFCWUXPIWCY-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575180522 952418466 /nfs/dbraw/zinc/41/84/66/952418466.db2.gz VIYNLFJPBPRHCA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575180522 952418469 /nfs/dbraw/zinc/41/84/69/952418469.db2.gz VIYNLFJPBPRHCA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575180960 952421647 /nfs/dbraw/zinc/42/16/47/952421647.db2.gz YSXNDACDLPPJQY-PHDIDXHHSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575180960 952421650 /nfs/dbraw/zinc/42/16/50/952421650.db2.gz YSXNDACDLPPJQY-PHDIDXHHSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC001575184790 952423822 /nfs/dbraw/zinc/42/38/22/952423822.db2.gz CMDYCVNBQZJBJN-SNVBAGLBSA-N -1 1 386.503 0.157 20 0 GCADMM C[C@@H](CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CC1 ZINC001575185255 952430348 /nfs/dbraw/zinc/43/03/48/952430348.db2.gz OAKNFCOUGYQDFJ-RYUDHWBXSA-N -1 1 392.489 0.543 20 0 GCADMM C[C@@H](CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CC1 ZINC001575185255 952430351 /nfs/dbraw/zinc/43/03/51/952430351.db2.gz OAKNFCOUGYQDFJ-RYUDHWBXSA-N -1 1 392.489 0.543 20 0 GCADMM C[C@H](CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CC1 ZINC001575185256 952430626 /nfs/dbraw/zinc/43/06/26/952430626.db2.gz OAKNFCOUGYQDFJ-VXGBXAGGSA-N -1 1 392.489 0.543 20 0 GCADMM C[C@H](CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CC1 ZINC001575185256 952430630 /nfs/dbraw/zinc/43/06/30/952430630.db2.gz OAKNFCOUGYQDFJ-VXGBXAGGSA-N -1 1 392.489 0.543 20 0 GCADMM C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001575185456 952432537 /nfs/dbraw/zinc/43/25/37/952432537.db2.gz QUCBNGDBJXQBBX-LLVKDONJSA-N -1 1 383.416 0.069 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575187291 952440394 /nfs/dbraw/zinc/44/03/94/952440394.db2.gz BQPFOFXRSQQHIT-NEPJUHHUSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575187291 952440403 /nfs/dbraw/zinc/44/04/03/952440403.db2.gz BQPFOFXRSQQHIT-NEPJUHHUSA-N -1 1 386.416 0.360 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)n1 ZINC001571114178 952450233 /nfs/dbraw/zinc/45/02/33/952450233.db2.gz COPKJNWPFHMKJF-HNNXBMFYSA-N -1 1 375.393 0.343 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)n1 ZINC001571114178 952450238 /nfs/dbraw/zinc/45/02/38/952450238.db2.gz COPKJNWPFHMKJF-HNNXBMFYSA-N -1 1 375.393 0.343 20 0 GCADMM CC[C@@H](CC(F)(F)F)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571114506 952455739 /nfs/dbraw/zinc/45/57/39/952455739.db2.gz JKYDXOSHDWOVDN-ZETCQYMHSA-N -1 1 375.311 0.366 20 0 GCADMM Cc1nsc(NCC[C@H]2CCN(C(=O)c3cnon3)C2)c1-c1nn[n-]n1 ZINC001571116668 952476457 /nfs/dbraw/zinc/47/64/57/952476457.db2.gz BUXZPVPFGYCXNX-VIFPVBQESA-N -1 1 375.418 0.979 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575196666 952477169 /nfs/dbraw/zinc/47/71/69/952477169.db2.gz IHNAJRUJMLMOLK-QWHCGFSZSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197317 952481527 /nfs/dbraw/zinc/48/15/27/952481527.db2.gz SVPUVCPZLWTITK-RISCZKNCSA-N -1 1 382.428 0.857 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)c1-c1nn[n-]n1 ZINC001571117529 952482207 /nfs/dbraw/zinc/48/22/07/952482207.db2.gz MGPKFGUSZHVHQG-MRVPVSSYSA-N -1 1 375.418 0.695 20 0 GCADMM CN(C(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571117662 952482809 /nfs/dbraw/zinc/48/28/09/952482809.db2.gz OILGQMLGLVNSGP-JTQLQIEISA-N -1 1 375.458 0.240 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197624 952485496 /nfs/dbraw/zinc/48/54/96/952485496.db2.gz XSSJOVRLTUVMFQ-PNESKVBLSA-N -1 1 382.428 0.857 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197623 952485563 /nfs/dbraw/zinc/48/55/63/952485563.db2.gz XSSJOVRLTUVMFQ-JHJVBQTASA-N -1 1 382.428 0.857 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575199734 952489486 /nfs/dbraw/zinc/48/94/86/952489486.db2.gz FBVXCKMELAZNAT-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575199734 952489492 /nfs/dbraw/zinc/48/94/92/952489492.db2.gz FBVXCKMELAZNAT-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200209 952492470 /nfs/dbraw/zinc/49/24/70/952492470.db2.gz ALJSTBPXEUVYCN-JHJVBQTASA-N -1 1 382.428 0.857 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571119535 952492583 /nfs/dbraw/zinc/49/25/83/952492583.db2.gz CNSCTEQQRYWVJE-LLVKDONJSA-N -1 1 376.396 0.260 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571119535 952492586 /nfs/dbraw/zinc/49/25/86/952492586.db2.gz CNSCTEQQRYWVJE-LLVKDONJSA-N -1 1 376.396 0.260 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc(-c2nnn[n-]2)n1 ZINC001571119727 952493903 /nfs/dbraw/zinc/49/39/03/952493903.db2.gz FBDOEDMDAOSIKG-GHMZBOCLSA-N -1 1 376.421 0.611 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc(-c2nn[n-]n2)n1 ZINC001571119727 952493909 /nfs/dbraw/zinc/49/39/09/952493909.db2.gz FBDOEDMDAOSIKG-GHMZBOCLSA-N -1 1 376.421 0.611 20 0 GCADMM CC1(C)C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 ZINC001571119605 952493947 /nfs/dbraw/zinc/49/39/47/952493947.db2.gz DLTZQVLITGJBFG-JTQLQIEISA-N -1 1 376.421 0.570 20 0 GCADMM CC1(C)C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCO1 ZINC001571119605 952493952 /nfs/dbraw/zinc/49/39/52/952493952.db2.gz DLTZQVLITGJBFG-JTQLQIEISA-N -1 1 376.421 0.570 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C(F)F)c1 ZINC001571119846 952495155 /nfs/dbraw/zinc/49/51/55/952495155.db2.gz FTIHKLHLTXRLFZ-KYZUINATSA-N -1 1 376.331 0.621 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C(F)F)c1 ZINC001571119846 952495158 /nfs/dbraw/zinc/49/51/58/952495158.db2.gz FTIHKLHLTXRLFZ-KYZUINATSA-N -1 1 376.331 0.621 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575200655 952497527 /nfs/dbraw/zinc/49/75/27/952497527.db2.gz JZLXDOSAICVKCK-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575200655 952497530 /nfs/dbraw/zinc/49/75/30/952497530.db2.gz JZLXDOSAICVKCK-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1Cc2ccccc2C1 ZINC001571120205 952500450 /nfs/dbraw/zinc/50/04/50/952500450.db2.gz KYFSZJMGFLPGHJ-HNNXBMFYSA-N -1 1 376.424 0.767 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1Cc2ccccc2C1 ZINC001571120205 952500453 /nfs/dbraw/zinc/50/04/53/952500453.db2.gz KYFSZJMGFLPGHJ-HNNXBMFYSA-N -1 1 376.424 0.767 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001571120407 952503346 /nfs/dbraw/zinc/50/33/46/952503346.db2.gz MMXVGLDWIJAZGV-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)[C@@]1(F)CCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571120686 952506319 /nfs/dbraw/zinc/50/63/19/952506319.db2.gz PQCSZVQXPBTGQB-BDJLRTHQSA-N -1 1 376.396 0.213 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)[C@@]1(F)CCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571120686 952506322 /nfs/dbraw/zinc/50/63/22/952506322.db2.gz PQCSZVQXPBTGQB-BDJLRTHQSA-N -1 1 376.396 0.213 20 0 GCADMM C[C@H](Cc1cccs1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575201642 952506809 /nfs/dbraw/zinc/50/68/09/952506809.db2.gz JIDRQUQAJAHFKK-SECBINFHSA-N -1 1 375.414 0.280 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)[C@@]1(F)CCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571120689 952506910 /nfs/dbraw/zinc/50/69/10/952506910.db2.gz PQCSZVQXPBTGQB-MEDUHNTESA-N -1 1 376.396 0.213 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)[C@@]1(F)CCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571120689 952506917 /nfs/dbraw/zinc/50/69/17/952506917.db2.gz PQCSZVQXPBTGQB-MEDUHNTESA-N -1 1 376.396 0.213 20 0 GCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1COCCN1CC(F)(F)F ZINC001571120946 952511093 /nfs/dbraw/zinc/51/10/93/952511093.db2.gz SGBNDKVIGDBYNY-SECBINFHSA-N -1 1 376.364 0.808 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(Cl)no1 ZINC001571120949 952511593 /nfs/dbraw/zinc/51/15/93/952511593.db2.gz SGGUZMHIGACETQ-HTQZYQBOSA-N -1 1 375.780 0.435 20 0 GCADMM CC1(C)CCCC[C@@H]1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571120911 952512101 /nfs/dbraw/zinc/51/21/01/952512101.db2.gz TYTHXXRWCJGRNL-NSHDSACASA-N -1 1 376.421 0.397 20 0 GCADMM COc1cccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1OC ZINC001571121075 952514401 /nfs/dbraw/zinc/51/44/01/952514401.db2.gz VZPDQDKGOYUQCB-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM COc1cccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1OC ZINC001571121075 952514408 /nfs/dbraw/zinc/51/44/08/952514408.db2.gz VZPDQDKGOYUQCB-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575202583 952514702 /nfs/dbraw/zinc/51/47/02/952514702.db2.gz WCLJATBANVINLJ-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575202583 952514706 /nfs/dbraw/zinc/51/47/06/952514706.db2.gz WCLJATBANVINLJ-NEPJUHHUSA-N -1 1 384.448 0.528 20 0 GCADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CC(F)(F)C1 ZINC001571121091 952514987 /nfs/dbraw/zinc/51/49/87/952514987.db2.gz VTGDQXSYURYNPZ-JZYVYDRUSA-N -1 1 376.371 0.643 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575205682 952525131 /nfs/dbraw/zinc/52/51/31/952525131.db2.gz BWBHRVZMZIWITK-VXGBXAGGSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575205682 952525136 /nfs/dbraw/zinc/52/51/36/952525136.db2.gz BWBHRVZMZIWITK-VXGBXAGGSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575206376 952529252 /nfs/dbraw/zinc/52/92/52/952529252.db2.gz JDRJVJRBSFYZMU-WCFLWFBJSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575206376 952529258 /nfs/dbraw/zinc/52/92/58/952529258.db2.gz JDRJVJRBSFYZMU-WCFLWFBJSA-N -1 1 382.432 0.328 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)CN3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC001571123803 952531736 /nfs/dbraw/zinc/53/17/36/952531736.db2.gz WENJNWOUKARWJZ-SNVBAGLBSA-N -1 1 376.446 0.267 20 0 GCADMM Cc1oc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1S(=O)(=O)N(C)C ZINC001571124627 952541035 /nfs/dbraw/zinc/54/10/35/952541035.db2.gz PMLVDVSFSUWRNH-UHFFFAOYSA-N -1 1 377.386 0.666 20 0 GCADMM Cc1oc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1S(=O)(=O)N(C)C ZINC001571124627 952541041 /nfs/dbraw/zinc/54/10/41/952541041.db2.gz PMLVDVSFSUWRNH-UHFFFAOYSA-N -1 1 377.386 0.666 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2cccnc21 ZINC001571126972 952547399 /nfs/dbraw/zinc/54/73/99/952547399.db2.gz AYMDMMJEWMTGSL-OLZOCXBDSA-N -1 1 377.412 0.477 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2cccnc21 ZINC001571126972 952547410 /nfs/dbraw/zinc/54/74/10/952547410.db2.gz AYMDMMJEWMTGSL-OLZOCXBDSA-N -1 1 377.412 0.477 20 0 GCADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571127002 952549090 /nfs/dbraw/zinc/54/90/90/952549090.db2.gz BYCYVEMPAQWBQC-MELADBBJSA-N -1 1 377.412 0.290 20 0 GCADMM O=C(N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccn2)CC1 ZINC001571127029 952549110 /nfs/dbraw/zinc/54/91/10/952549110.db2.gz DBGPGQSUDUTBOP-GFCCVEGCSA-N -1 1 377.412 0.796 20 0 GCADMM O=C(N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccn2)CC1 ZINC001571127029 952549118 /nfs/dbraw/zinc/54/91/18/952549118.db2.gz DBGPGQSUDUTBOP-GFCCVEGCSA-N -1 1 377.412 0.796 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)c1cccnc1 ZINC001571127057 952549264 /nfs/dbraw/zinc/54/92/64/952549264.db2.gz DRVUCDFZZAPHGF-UBHSHLNASA-N -1 1 377.412 0.839 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccncc1 ZINC001571127115 952550384 /nfs/dbraw/zinc/55/03/84/952550384.db2.gz GLZFUBTURLRADH-KBXCAEBGSA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccncc1 ZINC001571127115 952550389 /nfs/dbraw/zinc/55/03/89/952550389.db2.gz GLZFUBTURLRADH-KBXCAEBGSA-N -1 1 377.412 0.983 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571127076 952550515 /nfs/dbraw/zinc/55/05/15/952550515.db2.gz FISQGBCVJQLBID-STQMWFEESA-N -1 1 377.412 0.480 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571127076 952550519 /nfs/dbraw/zinc/55/05/19/952550519.db2.gz FISQGBCVJQLBID-STQMWFEESA-N -1 1 377.412 0.480 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cc2c([nH]1)CCC2 ZINC001571127301 952552893 /nfs/dbraw/zinc/55/28/93/952552893.db2.gz IVHCBPDRVBAGJR-HBYGRHMLSA-N -1 1 377.412 0.338 20 0 GCADMM O=C(c1cccnc1)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571127835 952560793 /nfs/dbraw/zinc/56/07/93/952560793.db2.gz OPELJGBFIXCCJT-GOSISDBHSA-N -1 1 377.412 0.794 20 0 GCADMM O=C(c1cccnc1)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571127835 952560795 /nfs/dbraw/zinc/56/07/95/952560795.db2.gz OPELJGBFIXCCJT-GOSISDBHSA-N -1 1 377.412 0.794 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1csc(Cl)n1 ZINC001571128046 952562559 /nfs/dbraw/zinc/56/25/59/952562559.db2.gz OAIBQWKXPAWQTG-SSDOTTSWSA-N -1 1 377.821 0.775 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001575214423 952563468 /nfs/dbraw/zinc/56/34/68/952563468.db2.gz KQDRVUJLYIIPSV-MYJAWHEDSA-N -1 1 378.387 0.889 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001575214423 952563472 /nfs/dbraw/zinc/56/34/72/952563472.db2.gz KQDRVUJLYIIPSV-MYJAWHEDSA-N -1 1 378.387 0.889 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)c(C)c1 ZINC001571128175 952564721 /nfs/dbraw/zinc/56/47/21/952564721.db2.gz PUVFBZSGWHPMQS-STQMWFEESA-N -1 1 377.412 0.772 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)c(C)c1 ZINC001571128175 952564724 /nfs/dbraw/zinc/56/47/24/952564724.db2.gz PUVFBZSGWHPMQS-STQMWFEESA-N -1 1 377.412 0.772 20 0 GCADMM Cc1ccncc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571128169 952565225 /nfs/dbraw/zinc/56/52/25/952565225.db2.gz PQLCIDOCIUPEMI-BETUJISGSA-N -1 1 377.412 0.854 20 0 GCADMM O=C(N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1(c2cccnc2)CC1 ZINC001571128789 952570988 /nfs/dbraw/zinc/57/09/88/952570988.db2.gz WSOOKCIZDSWRCL-CYBMUJFWSA-N -1 1 377.412 0.796 20 0 GCADMM O=C(N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1(c2cccnc2)CC1 ZINC001571128789 952570990 /nfs/dbraw/zinc/57/09/90/952570990.db2.gz WSOOKCIZDSWRCL-CYBMUJFWSA-N -1 1 377.412 0.796 20 0 GCADMM C[C@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571129521 952575127 /nfs/dbraw/zinc/57/51/27/952575127.db2.gz FXWMXTBSIOHOBR-GXSJLCMTSA-N -1 1 378.387 0.773 20 0 GCADMM C[C@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571129524 952575589 /nfs/dbraw/zinc/57/55/89/952575589.db2.gz FXWMXTBSIOHOBR-ONGXEEELSA-N -1 1 378.387 0.773 20 0 GCADMM O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC(F)(F)C1 ZINC001571129736 952576620 /nfs/dbraw/zinc/57/66/20/952576620.db2.gz IFUMWHOIYCUTGJ-WDEREUQCSA-N -1 1 378.387 0.963 20 0 GCADMM CN(CC1CCN(C(=O)[C@@H]2CC2(F)F)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571130119 952578664 /nfs/dbraw/zinc/57/86/64/952578664.db2.gz ONCQDRZQAGRRGW-NSHDSACASA-N -1 1 378.387 0.987 20 0 GCADMM CN(CC1CCN(C(=O)[C@@H]2CC2(F)F)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571130119 952578670 /nfs/dbraw/zinc/57/86/70/952578670.db2.gz ONCQDRZQAGRRGW-NSHDSACASA-N -1 1 378.387 0.987 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@H]21)c1ncccc1[O-] ZINC001571130245 952579528 /nfs/dbraw/zinc/57/95/28/952579528.db2.gz QVHASKWKAMEKCJ-XYYAHUGASA-N -1 1 378.396 0.475 20 0 GCADMM O=C([C@H]1COc2ccccc21)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571130675 952580886 /nfs/dbraw/zinc/58/08/86/952580886.db2.gz UFKILJVOXXCVSA-ZDUSSCGKSA-N -1 1 378.396 0.482 20 0 GCADMM O=C([C@H]1CCC1(F)F)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571130684 952581869 /nfs/dbraw/zinc/58/18/69/952581869.db2.gz UJBZHCAAKJBXDK-WDEREUQCSA-N -1 1 378.387 0.917 20 0 GCADMM O=C(CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)NCc1ccccc1 ZINC001571135388 952603966 /nfs/dbraw/zinc/60/39/66/952603966.db2.gz VDBJPTQRUXCSOU-UHFFFAOYSA-N -1 1 378.439 0.523 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135686 952607095 /nfs/dbraw/zinc/60/70/95/952607095.db2.gz AZIFPFGIFYIWOT-CZUORRHYSA-N -1 1 378.412 0.416 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135686 952607097 /nfs/dbraw/zinc/60/70/97/952607097.db2.gz AZIFPFGIFYIWOT-CZUORRHYSA-N -1 1 378.412 0.416 20 0 GCADMM O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001571135713 952608181 /nfs/dbraw/zinc/60/81/81/952608181.db2.gz BNRGJGKWEMYCTJ-VIFPVBQESA-N -1 1 378.414 0.098 20 0 GCADMM CC(C)(F)C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135845 952609058 /nfs/dbraw/zinc/60/90/58/952609058.db2.gz GAOWFPMPSLZDJA-NSHDSACASA-N -1 1 378.412 0.195 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cncnc1C1CC1 ZINC001571135777 952609135 /nfs/dbraw/zinc/60/91/35/952609135.db2.gz DDWHGGVDALJVET-XYPYZODXSA-N -1 1 378.400 0.697 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cncnc1C1CC1 ZINC001571135777 952609137 /nfs/dbraw/zinc/60/91/37/952609137.db2.gz DDWHGGVDALJVET-XYPYZODXSA-N -1 1 378.400 0.697 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1COc2ccccc21 ZINC001571135891 952609856 /nfs/dbraw/zinc/60/98/56/952609856.db2.gz HGAYIMMCTDGMBK-AAEUAGOBSA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1COc2ccccc21 ZINC001571135891 952609861 /nfs/dbraw/zinc/60/98/61/952609861.db2.gz HGAYIMMCTDGMBK-AAEUAGOBSA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1COc2ccccc21 ZINC001571135904 952610016 /nfs/dbraw/zinc/61/00/16/952610016.db2.gz HMOMTUZYVOKMDS-GVXVVHGQSA-N -1 1 378.396 0.892 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1COc2ccccc21 ZINC001571135904 952610020 /nfs/dbraw/zinc/61/00/20/952610020.db2.gz HMOMTUZYVOKMDS-GVXVVHGQSA-N -1 1 378.396 0.892 20 0 GCADMM O=C(c1cccc2c1OCC2)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135911 952610075 /nfs/dbraw/zinc/61/00/75/952610075.db2.gz HSSJFCRWAVBEAT-LBPRGKRZSA-N -1 1 378.396 0.918 20 0 GCADMM O=C(c1cccc2c1OCC2)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135911 952610077 /nfs/dbraw/zinc/61/00/77/952610077.db2.gz HSSJFCRWAVBEAT-LBPRGKRZSA-N -1 1 378.396 0.918 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571135942 952611292 /nfs/dbraw/zinc/61/12/92/952611292.db2.gz IVHTZUJBKACKAS-WZRBSPASSA-N -1 1 378.400 0.295 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571135942 952611295 /nfs/dbraw/zinc/61/12/95/952611295.db2.gz IVHTZUJBKACKAS-WZRBSPASSA-N -1 1 378.400 0.295 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[nH]n1)c1ncccc1[O-] ZINC001571136062 952612146 /nfs/dbraw/zinc/61/21/46/952612146.db2.gz LPIPGTAHAIDBBU-RTXFEEFZSA-N -1 1 378.396 0.902 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571136414 952613719 /nfs/dbraw/zinc/61/37/19/952613719.db2.gz PTJLTOUXWQUJQE-SMDDNHRTSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571136414 952613720 /nfs/dbraw/zinc/61/37/20/952613720.db2.gz PTJLTOUXWQUJQE-SMDDNHRTSA-N -1 1 378.400 0.188 20 0 GCADMM CC[C@@H](F)C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136386 952613749 /nfs/dbraw/zinc/61/37/49/952613749.db2.gz OZBPDWFZDJBQJN-VXGBXAGGSA-N -1 1 378.412 0.195 20 0 GCADMM CC[C@@H](F)C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136386 952613750 /nfs/dbraw/zinc/61/37/50/952613750.db2.gz OZBPDWFZDJBQJN-VXGBXAGGSA-N -1 1 378.412 0.195 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571136791 952616379 /nfs/dbraw/zinc/61/63/79/952616379.db2.gz WARCBNDGTUJBRR-RYUDHWBXSA-N -1 1 378.412 0.680 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571136791 952616381 /nfs/dbraw/zinc/61/63/81/952616381.db2.gz WARCBNDGTUJBRR-RYUDHWBXSA-N -1 1 378.412 0.680 20 0 GCADMM O=C(c1ccnnc1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571136821 952617543 /nfs/dbraw/zinc/61/75/43/952617543.db2.gz XAXDUBJXDWPAIO-BETUJISGSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)c1cncnc1 ZINC001571137017 952618363 /nfs/dbraw/zinc/61/83/63/952618363.db2.gz ZRMLTGRGPGERTP-SJCJKPOMSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)c1cncnc1 ZINC001571137017 952618367 /nfs/dbraw/zinc/61/83/67/952618367.db2.gz ZRMLTGRGPGERTP-SJCJKPOMSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(c1ncccc1O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571139307 952620446 /nfs/dbraw/zinc/62/04/46/952620446.db2.gz FNSNVNZSHOMUPF-PHIMTYICSA-N -1 1 379.384 0.251 20 0 GCADMM O=C(c1ncccc1[O-])N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[nH]n2)n1 ZINC001571139307 952620448 /nfs/dbraw/zinc/62/04/48/952620448.db2.gz FNSNVNZSHOMUPF-PHIMTYICSA-N -1 1 379.384 0.251 20 0 GCADMM NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571141699 952636135 /nfs/dbraw/zinc/63/61/35/952636135.db2.gz ZKBCPQLXQPNWFD-TXEJJXNPSA-N -1 1 379.384 0.129 20 0 GCADMM NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571141699 952636141 /nfs/dbraw/zinc/63/61/41/952636141.db2.gz ZKBCPQLXQPNWFD-TXEJJXNPSA-N -1 1 379.384 0.129 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc2n(c1)CCCC2 ZINC001571147057 952656166 /nfs/dbraw/zinc/65/61/66/952656166.db2.gz RMHWTEZNYLREOA-ZDUSSCGKSA-N -1 1 379.428 0.803 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc2n(c1)CCCC2 ZINC001571147057 952656168 /nfs/dbraw/zinc/65/61/68/952656168.db2.gz RMHWTEZNYLREOA-ZDUSSCGKSA-N -1 1 379.428 0.803 20 0 GCADMM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)OC(C)(C)C ZINC001571147168 952657435 /nfs/dbraw/zinc/65/74/35/952657435.db2.gz HZDZWPWQTFHBGH-KXUCPTDWSA-N -1 1 379.425 0.437 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)c4ccc[nH]4)[C@@H]3C2)n1 ZINC001571147171 952657469 /nfs/dbraw/zinc/65/74/69/952657469.db2.gz IBDCCXSUSBHYQB-CNDDSTCGSA-N -1 1 379.428 0.659 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)c4ccc[nH]4)[C@@H]3C2)n1 ZINC001571147171 952657473 /nfs/dbraw/zinc/65/74/73/952657473.db2.gz IBDCCXSUSBHYQB-CNDDSTCGSA-N -1 1 379.428 0.659 20 0 GCADMM Cc1cnccc1CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571147248 952658727 /nfs/dbraw/zinc/65/87/27/952658727.db2.gz VIDJSXXIRDNBBA-UHFFFAOYSA-N -1 1 379.428 0.910 20 0 GCADMM Cc1cnccc1CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571147248 952658733 /nfs/dbraw/zinc/65/87/33/952658733.db2.gz VIDJSXXIRDNBBA-UHFFFAOYSA-N -1 1 379.428 0.910 20 0 GCADMM CCn1cccc1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571147824 952664471 /nfs/dbraw/zinc/66/44/71/952664471.db2.gz QQMRAFKRWILBJN-XYYAHUGASA-N -1 1 379.428 0.590 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccnc1 ZINC001571148234 952666412 /nfs/dbraw/zinc/66/64/12/952666412.db2.gz WISRBIWLPUYKBH-UHFFFAOYSA-N -1 1 379.428 0.678 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccnc1 ZINC001571148234 952666415 /nfs/dbraw/zinc/66/64/15/952666415.db2.gz WISRBIWLPUYKBH-UHFFFAOYSA-N -1 1 379.428 0.678 20 0 GCADMM CCOC(=O)C(CC)(CC)CNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001571148264 952666629 /nfs/dbraw/zinc/66/66/29/952666629.db2.gz XFNYOACQTYWEFW-UHFFFAOYSA-N -1 1 379.425 0.127 20 0 GCADMM Cc1nsc(N2CC[C@](C)(NC(=O)[C@@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571151767 952678321 /nfs/dbraw/zinc/67/83/21/952678321.db2.gz WYVZDVSJQDZPJX-BONVTDFDSA-N -1 1 379.446 0.132 20 0 GCADMM Cc1nsc(N2CC[C@@](C)(NC(=O)[C@@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571151769 952679058 /nfs/dbraw/zinc/67/90/58/952679058.db2.gz WYVZDVSJQDZPJX-ZUZCIYMTSA-N -1 1 379.446 0.132 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571152252 952682345 /nfs/dbraw/zinc/68/23/45/952682345.db2.gz GEFHVRBYCRVALU-VIFPVBQESA-N -1 1 380.359 0.077 20 0 GCADMM O=C([C@@H]1CC1(F)F)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571152252 952682347 /nfs/dbraw/zinc/68/23/47/952682347.db2.gz GEFHVRBYCRVALU-VIFPVBQESA-N -1 1 380.359 0.077 20 0 GCADMM O=C(NC[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cn[nH]c1 ZINC001571152890 952684357 /nfs/dbraw/zinc/68/43/57/952684357.db2.gz KIKPJCDYSPYLRB-ZETCQYMHSA-N -1 1 379.837 0.956 20 0 GCADMM COCc1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571154728 952689141 /nfs/dbraw/zinc/68/91/41/952689141.db2.gz AHENLOGAPOECGE-AWEZNQCLSA-N -1 1 380.412 0.812 20 0 GCADMM COCc1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571154728 952689145 /nfs/dbraw/zinc/68/91/45/952689145.db2.gz AHENLOGAPOECGE-AWEZNQCLSA-N -1 1 380.412 0.812 20 0 GCADMM C[C@H]1CN(C(=O)COc2ccccc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571155182 952694010 /nfs/dbraw/zinc/69/40/10/952694010.db2.gz JXJMXNOLSXDURT-SWLSCSKDSA-N -1 1 380.412 0.995 20 0 GCADMM C[C@H]1CN(C(=O)COc2ccccc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571155182 952694013 /nfs/dbraw/zinc/69/40/13/952694013.db2.gz JXJMXNOLSXDURT-SWLSCSKDSA-N -1 1 380.412 0.995 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2ccc(F)cc21 ZINC001571155254 952694466 /nfs/dbraw/zinc/69/44/66/952694466.db2.gz LXACADBOWHNNAO-MBNYWOFBSA-N -1 1 380.387 0.617 20 0 GCADMM Cc1cc(F)cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001571155355 952695539 /nfs/dbraw/zinc/69/55/39/952695539.db2.gz PARARXKINQBLGY-VIKVFOODSA-N -1 1 380.387 0.969 20 0 GCADMM Cc1cc(F)cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571155355 952695542 /nfs/dbraw/zinc/69/55/42/952695542.db2.gz PARARXKINQBLGY-VIKVFOODSA-N -1 1 380.387 0.969 20 0 GCADMM O=C([C@@H]1Cc2ccc(F)cc21)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571155410 952696473 /nfs/dbraw/zinc/69/64/73/952696473.db2.gz QWALUGDIYKHUDA-TZMCWYRMSA-N -1 1 380.387 0.570 20 0 GCADMM COCc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571155398 952696826 /nfs/dbraw/zinc/69/68/26/952696826.db2.gz QOBWILIGWZWMNV-CQSZACIVSA-N -1 1 380.412 0.812 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cc(C)n1 ZINC001571156018 952700639 /nfs/dbraw/zinc/70/06/39/952700639.db2.gz AWSMPZWMILRQJL-GXTWGEPZSA-N -1 1 379.428 0.806 20 0 GCADMM Cc1cncc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571156621 952702250 /nfs/dbraw/zinc/70/22/50/952702250.db2.gz FINZVZGVIIUMJO-SFHVURJKSA-N -1 1 379.428 0.746 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)cc(C)n1 ZINC001571156780 952704793 /nfs/dbraw/zinc/70/47/93/952704793.db2.gz JKWKNKWWHGEXOE-OCCSQVGLSA-N -1 1 379.428 0.806 20 0 GCADMM Cc1ccc(CC(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001571158095 952710479 /nfs/dbraw/zinc/71/04/79/952710479.db2.gz QTSQCGUMLKABTO-UHFFFAOYSA-N -1 1 379.428 0.642 20 0 GCADMM Cc1ccc(CC(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001571158095 952710483 /nfs/dbraw/zinc/71/04/83/952710483.db2.gz QTSQCGUMLKABTO-UHFFFAOYSA-N -1 1 379.428 0.642 20 0 GCADMM COc1ccccc1C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571158320 952711034 /nfs/dbraw/zinc/71/10/34/952711034.db2.gz HAXYGZSGRNZXGO-UHFFFAOYSA-N -1 1 380.412 0.708 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1C ZINC001571158983 952716146 /nfs/dbraw/zinc/71/61/46/952716146.db2.gz OQOQOSRYOJVXOO-CYBMUJFWSA-N -1 1 380.412 0.982 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1C ZINC001571158983 952716153 /nfs/dbraw/zinc/71/61/53/952716153.db2.gz OQOQOSRYOJVXOO-CYBMUJFWSA-N -1 1 380.412 0.982 20 0 GCADMM Cc1ccncc1C(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571159625 952721214 /nfs/dbraw/zinc/72/12/14/952721214.db2.gz VELSMILZCSQLDO-OLZOCXBDSA-N -1 1 379.428 0.793 20 0 GCADMM O=C(CCc1ccco1)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571160095 952724135 /nfs/dbraw/zinc/72/41/35/952724135.db2.gz DNCSHMPEBGUUAF-BETUJISGSA-N -1 1 380.412 0.777 20 0 GCADMM O=C(CCc1ccco1)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571160095 952724138 /nfs/dbraw/zinc/72/41/38/952724138.db2.gz DNCSHMPEBGUUAF-BETUJISGSA-N -1 1 380.412 0.777 20 0 GCADMM O=C(COc1ccccc1)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571160854 952728836 /nfs/dbraw/zinc/72/88/36/952728836.db2.gz NGMUVNRXDZDZQY-UHFFFAOYSA-N -1 1 380.412 0.774 20 0 GCADMM O=C(COc1ccccc1)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571160854 952728842 /nfs/dbraw/zinc/72/88/42/952728842.db2.gz NGMUVNRXDZDZQY-UHFFFAOYSA-N -1 1 380.412 0.774 20 0 GCADMM O=C(CCc1ccoc1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571161065 952730593 /nfs/dbraw/zinc/73/05/93/952730593.db2.gz PUHFLZYZMPTRAP-DZGCQCFKSA-N -1 1 380.412 0.920 20 0 GCADMM O=C(CCc1ccoc1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571161065 952730596 /nfs/dbraw/zinc/73/05/96/952730596.db2.gz PUHFLZYZMPTRAP-DZGCQCFKSA-N -1 1 380.412 0.920 20 0 GCADMM Cc1ccoc1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571161070 952731237 /nfs/dbraw/zinc/73/12/37/952731237.db2.gz PYMBKGZDFRETKK-GXTWGEPZSA-N -1 1 380.412 0.838 20 0 GCADMM Cc1ccoc1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571161070 952731241 /nfs/dbraw/zinc/73/12/41/952731241.db2.gz PYMBKGZDFRETKK-GXTWGEPZSA-N -1 1 380.412 0.838 20 0 GCADMM CN(C(=O)c1cncnc1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571161795 952733803 /nfs/dbraw/zinc/73/38/03/952733803.db2.gz AMSSKROKYDWBSS-UHFFFAOYSA-N -1 1 380.416 0.942 20 0 GCADMM CN(C(=O)c1cncnc1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571161795 952733808 /nfs/dbraw/zinc/73/38/08/952733808.db2.gz AMSSKROKYDWBSS-UHFFFAOYSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571161791 952734385 /nfs/dbraw/zinc/73/43/85/952734385.db2.gz AIVLNDKUSRHIDA-GWCFXTLKSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571161791 952734390 /nfs/dbraw/zinc/73/43/90/952734390.db2.gz AIVLNDKUSRHIDA-GWCFXTLKSA-N -1 1 380.416 0.372 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)n1 ZINC001571161798 952734575 /nfs/dbraw/zinc/73/45/75/952734575.db2.gz AUMKETJNXPUCRJ-SMDDNHRTSA-N -1 1 380.416 0.224 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001571161798 952734581 /nfs/dbraw/zinc/73/45/81/952734581.db2.gz AUMKETJNXPUCRJ-SMDDNHRTSA-N -1 1 380.416 0.224 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)[nH]n1 ZINC001571161812 952735053 /nfs/dbraw/zinc/73/50/53/952735053.db2.gz BDQMCLKPIQDAPN-STQMWFEESA-N -1 1 380.416 0.841 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)[nH]n1 ZINC001571161812 952735058 /nfs/dbraw/zinc/73/50/58/952735058.db2.gz BDQMCLKPIQDAPN-STQMWFEESA-N -1 1 380.416 0.841 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571161813 952735143 /nfs/dbraw/zinc/73/51/43/952735143.db2.gz BDTJGQAZQYTPCA-LLVKDONJSA-N -1 1 380.416 0.726 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571161813 952735148 /nfs/dbraw/zinc/73/51/48/952735148.db2.gz BDTJGQAZQYTPCA-LLVKDONJSA-N -1 1 380.416 0.726 20 0 GCADMM CN(CC1CCN(C(=O)c2cnccn2)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571161925 952736148 /nfs/dbraw/zinc/73/61/48/952736148.db2.gz FGTYGLWXLPCLQY-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM CN(CC1CCN(C(=O)c2cnccn2)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571161925 952736150 /nfs/dbraw/zinc/73/61/50/952736150.db2.gz FGTYGLWXLPCLQY-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM CCN(C(=O)c1cnnc(C)c1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571161922 952736203 /nfs/dbraw/zinc/73/62/03/952736203.db2.gz FCZGALOIYQECRM-ZDUSSCGKSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1cnnc(C)c1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571161922 952736205 /nfs/dbraw/zinc/73/62/05/952736205.db2.gz FCZGALOIYQECRM-ZDUSSCGKSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)nn1 ZINC001571161886 952736214 /nfs/dbraw/zinc/73/62/14/952736214.db2.gz DHXQFIPLOZTOTE-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)nn1 ZINC001571161886 952736215 /nfs/dbraw/zinc/73/62/15/952736215.db2.gz DHXQFIPLOZTOTE-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571161902 952736272 /nfs/dbraw/zinc/73/62/72/952736272.db2.gz DQLLZJXUHQQKHN-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571161902 952736274 /nfs/dbraw/zinc/73/62/74/952736274.db2.gz DQLLZJXUHQQKHN-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571161905 952736417 /nfs/dbraw/zinc/73/64/17/952736417.db2.gz DQONGWXESSRBPZ-LLVKDONJSA-N -1 1 380.416 0.148 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571161915 952736485 /nfs/dbraw/zinc/73/64/85/952736485.db2.gz DXESBALNKZRRNV-VXGBXAGGSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571161915 952736490 /nfs/dbraw/zinc/73/64/90/952736490.db2.gz DXESBALNKZRRNV-VXGBXAGGSA-N -1 1 380.416 0.800 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)nn1 ZINC001571161887 952736596 /nfs/dbraw/zinc/73/65/96/952736596.db2.gz DHXQFIPLOZTOTE-LBPRGKRZSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1ccc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)nn1 ZINC001571161887 952736600 /nfs/dbraw/zinc/73/66/00/952736600.db2.gz DHXQFIPLOZTOTE-LBPRGKRZSA-N -1 1 380.416 0.780 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571161895 952736691 /nfs/dbraw/zinc/73/66/91/952736691.db2.gz DOJQJHWCRWLMKH-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571161895 952736694 /nfs/dbraw/zinc/73/66/94/952736694.db2.gz DOJQJHWCRWLMKH-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571161976 952737538 /nfs/dbraw/zinc/73/75/38/952737538.db2.gz GRVFPOCFERUXCQ-STQMWFEESA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571161976 952737541 /nfs/dbraw/zinc/73/75/41/952737541.db2.gz GRVFPOCFERUXCQ-STQMWFEESA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)c(C)nn1 ZINC001571162019 952737627 /nfs/dbraw/zinc/73/76/27/952737627.db2.gz HXQGCLXCNFTJQO-QGZVFWFLSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)c(C)nn1 ZINC001571162019 952737630 /nfs/dbraw/zinc/73/76/30/952737630.db2.gz HXQGCLXCNFTJQO-QGZVFWFLSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571162071 952738285 /nfs/dbraw/zinc/73/82/85/952738285.db2.gz JGEVQMNJHNYJED-NWDGAFQWSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571162071 952738287 /nfs/dbraw/zinc/73/82/87/952738287.db2.gz JGEVQMNJHNYJED-NWDGAFQWSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)ncn1 ZINC001571162091 952738587 /nfs/dbraw/zinc/73/85/87/952738587.db2.gz JTIOHOWNYOJLMQ-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)ncn1 ZINC001571162091 952738594 /nfs/dbraw/zinc/73/85/94/952738594.db2.gz JTIOHOWNYOJLMQ-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3cnccn3)C[C@H]2C)n1 ZINC001571162197 952739374 /nfs/dbraw/zinc/73/93/74/952739374.db2.gz NOQUPVVGBGJVJN-PWSUYJOCSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3cnccn3)C[C@H]2C)n1 ZINC001571162197 952739378 /nfs/dbraw/zinc/73/93/78/952739378.db2.gz NOQUPVVGBGJVJN-PWSUYJOCSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571162165 952739523 /nfs/dbraw/zinc/73/95/23/952739523.db2.gz MLUAUOQNSBXVTP-HAQNSBGRSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571162165 952739527 /nfs/dbraw/zinc/73/95/27/952739527.db2.gz MLUAUOQNSBXVTP-HAQNSBGRSA-N -1 1 380.416 0.908 20 0 GCADMM CCn1ccnc1C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571162169 952739665 /nfs/dbraw/zinc/73/96/65/952739665.db2.gz MTEZUXYHXHBDHC-NWDGAFQWSA-N -1 1 380.416 0.224 20 0 GCADMM Cc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571162131 952739678 /nfs/dbraw/zinc/73/96/78/952739678.db2.gz LLXMZQQDSMSWQU-TXEJJXNPSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571162131 952739682 /nfs/dbraw/zinc/73/96/82/952739682.db2.gz LLXMZQQDSMSWQU-TXEJJXNPSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)c3cncnc3C)C2)n1 ZINC001571162132 952739742 /nfs/dbraw/zinc/73/97/42/952739742.db2.gz LPSAXVXDZGTBDE-TXEJJXNPSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)c3cncnc3C)C2)n1 ZINC001571162132 952739746 /nfs/dbraw/zinc/73/97/46/952739746.db2.gz LPSAXVXDZGTBDE-TXEJJXNPSA-N -1 1 380.416 0.684 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571162135 952739814 /nfs/dbraw/zinc/73/98/14/952739814.db2.gz LSCPEFJJRPQKAY-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571162135 952739817 /nfs/dbraw/zinc/73/98/17/952739817.db2.gz LSCPEFJJRPQKAY-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3ncccn3)[C@H]2C)n1 ZINC001571162193 952739951 /nfs/dbraw/zinc/73/99/51/952739951.db2.gz NKTOFZJXVMYWGV-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3ncccn3)[C@H]2C)n1 ZINC001571162193 952739953 /nfs/dbraw/zinc/73/99/53/952739953.db2.gz NKTOFZJXVMYWGV-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3ccnnc3)CC[C@H]2C)n1 ZINC001571162173 952739973 /nfs/dbraw/zinc/73/99/73/952739973.db2.gz MXCKWGODFJVVNS-DGCLKSJQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3ccnnc3)CC[C@H]2C)n1 ZINC001571162173 952739977 /nfs/dbraw/zinc/73/99/77/952739977.db2.gz MXCKWGODFJVVNS-DGCLKSJQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(C)nn1 ZINC001571162171 952740126 /nfs/dbraw/zinc/74/01/26/952740126.db2.gz MVXRQTVENLXMGR-UHFFFAOYSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(C)nn1 ZINC001571162171 952740130 /nfs/dbraw/zinc/74/01/30/952740130.db2.gz MVXRQTVENLXMGR-UHFFFAOYSA-N -1 1 380.416 0.462 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571162155 952740180 /nfs/dbraw/zinc/74/01/80/952740180.db2.gz MFQWIVPMXQIADY-FZMZJTMJSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571162155 952740186 /nfs/dbraw/zinc/74/01/86/952740186.db2.gz MFQWIVPMXQIADY-FZMZJTMJSA-N -1 1 380.416 0.338 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@@H]2NC(=O)c2ncccn2)n1 ZINC001571162249 952740677 /nfs/dbraw/zinc/74/06/77/952740677.db2.gz OQBUMWIUGRSLDY-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@@H]2NC(=O)c2ncccn2)n1 ZINC001571162249 952740682 /nfs/dbraw/zinc/74/06/82/952740682.db2.gz OQBUMWIUGRSLDY-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnccn1 ZINC001571162210 952740695 /nfs/dbraw/zinc/74/06/95/952740695.db2.gz NVMDBUSIAMKVCX-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnccn1 ZINC001571162210 952740699 /nfs/dbraw/zinc/74/06/99/952740699.db2.gz NVMDBUSIAMKVCX-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)c1C ZINC001571162228 952741275 /nfs/dbraw/zinc/74/12/75/952741275.db2.gz OEZDZXAJBIKDTJ-MDZLAQPJSA-N -1 1 380.416 0.536 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)c1C ZINC001571162228 952741278 /nfs/dbraw/zinc/74/12/78/952741278.db2.gz OEZDZXAJBIKDTJ-MDZLAQPJSA-N -1 1 380.416 0.536 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)c3cc(C)ncn3)CC2)n1 ZINC001571162355 952741707 /nfs/dbraw/zinc/74/17/07/952741707.db2.gz RHMOQAIDISUBSD-UHFFFAOYSA-N -1 1 380.416 0.280 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)c3cc(C)ncn3)CC2)n1 ZINC001571162355 952741711 /nfs/dbraw/zinc/74/17/11/952741711.db2.gz RHMOQAIDISUBSD-UHFFFAOYSA-N -1 1 380.416 0.280 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)n1 ZINC001571162324 952741788 /nfs/dbraw/zinc/74/17/88/952741788.db2.gz QJWDPSYYPBVRQR-PXAZEXFGSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)n1 ZINC001571162324 952741791 /nfs/dbraw/zinc/74/17/91/952741791.db2.gz QJWDPSYYPBVRQR-PXAZEXFGSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cnn1 ZINC001571162339 952741847 /nfs/dbraw/zinc/74/18/47/952741847.db2.gz QWQYRDAZUUOQOB-ZWNOBZJWSA-N -1 1 380.416 0.257 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cnn1 ZINC001571162339 952741849 /nfs/dbraw/zinc/74/18/49/952741849.db2.gz QWQYRDAZUUOQOB-ZWNOBZJWSA-N -1 1 380.416 0.257 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)c1ccnnc1 ZINC001571162467 952744631 /nfs/dbraw/zinc/74/46/31/952744631.db2.gz VBIXTHCOIAWVCC-BXUZGUMPSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)c1ccnnc1 ZINC001571162467 952744634 /nfs/dbraw/zinc/74/46/34/952744634.db2.gz VBIXTHCOIAWVCC-BXUZGUMPSA-N -1 1 380.416 0.942 20 0 GCADMM CN(C(=O)c1cn2c(n1)CCC2)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162650 952744972 /nfs/dbraw/zinc/74/49/72/952744972.db2.gz XHOZOLWUYSFVGW-LLVKDONJSA-N -1 1 380.416 0.150 20 0 GCADMM CN(C(=O)c1cn2c(n1)CCC2)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162650 952744974 /nfs/dbraw/zinc/74/49/74/952744974.db2.gz XHOZOLWUYSFVGW-LLVKDONJSA-N -1 1 380.416 0.150 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)[nH]1 ZINC001571165001 952745892 /nfs/dbraw/zinc/74/58/92/952745892.db2.gz AQNKPBJOZDBVAH-NEPJUHHUSA-N -1 1 380.416 0.263 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)[nH]1 ZINC001571165004 952746119 /nfs/dbraw/zinc/74/61/19/952746119.db2.gz AQNKPBJOZDBVAH-RYUDHWBXSA-N -1 1 380.416 0.263 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571165091 952746932 /nfs/dbraw/zinc/74/69/32/952746932.db2.gz BVZWLOZYKZPDGO-PWSUYJOCSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571165091 952746933 /nfs/dbraw/zinc/74/69/33/952746933.db2.gz BVZWLOZYKZPDGO-PWSUYJOCSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571165016 952747232 /nfs/dbraw/zinc/74/72/32/952747232.db2.gz AYCZXBTWRJUCMR-UHFFFAOYSA-N -1 1 380.416 0.974 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571165016 952747238 /nfs/dbraw/zinc/74/72/38/952747238.db2.gz AYCZXBTWRJUCMR-UHFFFAOYSA-N -1 1 380.416 0.974 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571165093 952747731 /nfs/dbraw/zinc/74/77/31/952747731.db2.gz BVZWLOZYKZPDGO-ZYHUDNBSSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571165093 952747733 /nfs/dbraw/zinc/74/77/33/952747733.db2.gz BVZWLOZYKZPDGO-ZYHUDNBSSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1n[nH]c2c1CCCC2 ZINC001571165035 952747751 /nfs/dbraw/zinc/74/77/51/952747751.db2.gz BJZWSSGJLDHTMD-JTQLQIEISA-N -1 1 380.416 0.267 20 0 GCADMM Cn1nc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1C1CC1 ZINC001571165171 952748257 /nfs/dbraw/zinc/74/82/57/952748257.db2.gz DWOONIIQWSRAFK-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM Cn1nc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1C1CC1 ZINC001571165171 952748263 /nfs/dbraw/zinc/74/82/63/952748263.db2.gz DWOONIIQWSRAFK-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571165208 952748486 /nfs/dbraw/zinc/74/84/86/952748486.db2.gz GCMPSTQWAMESNL-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571165208 952748493 /nfs/dbraw/zinc/74/84/93/952748493.db2.gz GCMPSTQWAMESNL-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)n1 ZINC001571165160 952748641 /nfs/dbraw/zinc/74/86/41/952748641.db2.gz DLOBDYOFOWTGFX-JQWIXIFHSA-N -1 1 380.416 0.282 20 0 GCADMM O=C(c1cnc2n1CCCC2)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165374 952749161 /nfs/dbraw/zinc/74/91/61/952749161.db2.gz CCWNTCHEOSEMEK-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cnc2n1CCCC2)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165374 952749166 /nfs/dbraw/zinc/74/91/66/952749166.db2.gz CCWNTCHEOSEMEK-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571165235 952749425 /nfs/dbraw/zinc/74/94/25/952749425.db2.gz GSPHQGZGTSCFIU-SMDDNHRTSA-N -1 1 380.416 0.050 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571165235 952749429 /nfs/dbraw/zinc/74/94/29/952749429.db2.gz GSPHQGZGTSCFIU-SMDDNHRTSA-N -1 1 380.416 0.050 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571165451 952750648 /nfs/dbraw/zinc/75/06/48/952750648.db2.gz HBLRDBZAAQYJRU-HAQNSBGRSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571165451 952750652 /nfs/dbraw/zinc/75/06/52/952750652.db2.gz HBLRDBZAAQYJRU-HAQNSBGRSA-N -1 1 380.416 0.908 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1)c1cccnn1 ZINC001571165461 952750739 /nfs/dbraw/zinc/75/07/39/952750739.db2.gz HGPAHOXSFOIJCP-HAQNSBGRSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1)c1cccnn1 ZINC001571165461 952750742 /nfs/dbraw/zinc/75/07/42/952750742.db2.gz HGPAHOXSFOIJCP-HAQNSBGRSA-N -1 1 380.416 0.847 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)n1 ZINC001571165447 952750765 /nfs/dbraw/zinc/75/07/65/952750765.db2.gz GZQHCDSVTULQLO-ZYHUDNBSSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)n1 ZINC001571165447 952750766 /nfs/dbraw/zinc/75/07/66/952750766.db2.gz GZQHCDSVTULQLO-ZYHUDNBSSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ncc(C(=O)N(C)C2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571165493 952751902 /nfs/dbraw/zinc/75/19/02/952751902.db2.gz IDMVFNGBVLCRGF-UHFFFAOYSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1ncc(C(=O)N(C)C2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571165493 952751908 /nfs/dbraw/zinc/75/19/08/952751908.db2.gz IDMVFNGBVLCRGF-UHFFFAOYSA-N -1 1 380.416 0.779 20 0 GCADMM Cn1nc(C2CC2)cc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165527 952752716 /nfs/dbraw/zinc/75/27/16/952752716.db2.gz IZIDXTGSLRCMQO-XYPYZODXSA-N -1 1 380.416 0.641 20 0 GCADMM Cn1nc(C2CC2)cc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165527 952752720 /nfs/dbraw/zinc/75/27/20/952752720.db2.gz IZIDXTGSLRCMQO-XYPYZODXSA-N -1 1 380.416 0.641 20 0 GCADMM Cc1nccc(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571165757 952754544 /nfs/dbraw/zinc/75/45/44/952754544.db2.gz JRMYWKOTJMCBFJ-UHFFFAOYSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nccc(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571165757 952754548 /nfs/dbraw/zinc/75/45/48/952754548.db2.gz JRMYWKOTJMCBFJ-UHFFFAOYSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nnccc1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165751 952754756 /nfs/dbraw/zinc/75/47/56/952754756.db2.gz JPNXCVMBRJJSDE-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1nnccc1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165751 952754762 /nfs/dbraw/zinc/75/47/62/952754762.db2.gz JPNXCVMBRJJSDE-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571165771 952755072 /nfs/dbraw/zinc/75/50/72/952755072.db2.gz KARRGMPNJBQHDA-KGLIPLIRSA-N -1 1 380.416 0.274 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571165771 952755076 /nfs/dbraw/zinc/75/50/76/952755076.db2.gz KARRGMPNJBQHDA-KGLIPLIRSA-N -1 1 380.416 0.274 20 0 GCADMM Cn1cnc(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)c1 ZINC001571165841 952756105 /nfs/dbraw/zinc/75/61/05/952756105.db2.gz LXTDJLSXRAFKAO-LBPRGKRZSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1cnc(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)c1 ZINC001571165841 952756110 /nfs/dbraw/zinc/75/61/10/952756110.db2.gz LXTDJLSXRAFKAO-LBPRGKRZSA-N -1 1 380.416 0.179 20 0 GCADMM O=C(c1cncnc1)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166058 952757383 /nfs/dbraw/zinc/75/73/83/952757383.db2.gz KFMJIEIIYSRVKF-ZDUSSCGKSA-N -1 1 380.416 0.944 20 0 GCADMM O=C(c1cncnc1)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166058 952757384 /nfs/dbraw/zinc/75/73/84/952757384.db2.gz KFMJIEIIYSRVKF-ZDUSSCGKSA-N -1 1 380.416 0.944 20 0 GCADMM Cc1nc(C(=O)N2CC[C@H]3[C@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571166142 952758706 /nfs/dbraw/zinc/75/87/06/952758706.db2.gz OQCQLULJHNTOIX-RISCZKNCSA-N -1 1 380.416 0.429 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1c[nH]nc1C1CC1 ZINC001571166130 952758775 /nfs/dbraw/zinc/75/87/75/952758775.db2.gz OKEIHLWITDCRKU-JGZJWPJOSA-N -1 1 380.416 0.878 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1c[nH]nc1C1CC1 ZINC001571166130 952758779 /nfs/dbraw/zinc/75/87/79/952758779.db2.gz OKEIHLWITDCRKU-JGZJWPJOSA-N -1 1 380.416 0.878 20 0 GCADMM Cn1nc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1C1CC1 ZINC001571166113 952758787 /nfs/dbraw/zinc/75/87/87/952758787.db2.gz NZXGWKMFWAMWJT-UHFFFAOYSA-N -1 1 380.416 0.230 20 0 GCADMM Cn1nc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1C1CC1 ZINC001571166113 952758790 /nfs/dbraw/zinc/75/87/90/952758790.db2.gz NZXGWKMFWAMWJT-UHFFFAOYSA-N -1 1 380.416 0.230 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c(C)n1 ZINC001571166260 952760142 /nfs/dbraw/zinc/76/01/42/952760142.db2.gz QKSOBNBITRTLKK-GWCFXTLKSA-N -1 1 380.416 0.201 20 0 GCADMM Cc1nc(C(=O)N2CCC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c[nH]1 ZINC001571166330 952760584 /nfs/dbraw/zinc/76/05/84/952760584.db2.gz QWFISHAWHQRNCA-SMDDNHRTSA-N -1 1 380.416 0.429 20 0 GCADMM Cn1nc2c(c1C(=O)N1CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C1)CCC2 ZINC001571166414 952760895 /nfs/dbraw/zinc/76/08/95/952760895.db2.gz RKNKGAZOQJNWPJ-JTQLQIEISA-N -1 1 380.416 0.206 20 0 GCADMM Cn1nc2c(c1C(=O)N1CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C1)CCC2 ZINC001571166414 952760899 /nfs/dbraw/zinc/76/08/99/952760899.db2.gz RKNKGAZOQJNWPJ-JTQLQIEISA-N -1 1 380.416 0.206 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166464 952761432 /nfs/dbraw/zinc/76/14/32/952761432.db2.gz RYRWOIBMPXAYGJ-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166464 952761434 /nfs/dbraw/zinc/76/14/34/952761434.db2.gz RYRWOIBMPXAYGJ-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM Cn1cncc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166431 952761765 /nfs/dbraw/zinc/76/17/65/952761765.db2.gz RMEXRNUEQRSNGB-SUMWQHHRSA-N -1 1 380.416 0.322 20 0 GCADMM Cn1cncc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166431 952761771 /nfs/dbraw/zinc/76/17/71/952761771.db2.gz RMEXRNUEQRSNGB-SUMWQHHRSA-N -1 1 380.416 0.322 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571166482 952761915 /nfs/dbraw/zinc/76/19/15/952761915.db2.gz SHWWPIJRZMECKX-WDEREUQCSA-N -1 1 380.416 0.195 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001571166457 952762157 /nfs/dbraw/zinc/76/21/57/952762157.db2.gz RXMVLMRZRXNSST-QWHCGFSZSA-N -1 1 380.416 0.393 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166457 952762159 /nfs/dbraw/zinc/76/21/59/952762159.db2.gz RXMVLMRZRXNSST-QWHCGFSZSA-N -1 1 380.416 0.393 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cn2c(n1)CCC2 ZINC001571166466 952762301 /nfs/dbraw/zinc/76/23/01/952762301.db2.gz RZUUDPZXQQVKBY-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cn2c(n1)CCC2 ZINC001571166466 952762305 /nfs/dbraw/zinc/76/23/05/952762305.db2.gz RZUUDPZXQQVKBY-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571166581 952762741 /nfs/dbraw/zinc/76/27/41/952762741.db2.gz TZBIUFKTHPAVJA-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571166581 952762747 /nfs/dbraw/zinc/76/27/47/952762747.db2.gz TZBIUFKTHPAVJA-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cn1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1C1CC1 ZINC001571166623 952762988 /nfs/dbraw/zinc/76/29/88/952762988.db2.gz UHMIZEVWKHDNKZ-NSHDSACASA-N -1 1 380.416 0.276 20 0 GCADMM Cn1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1C1CC1 ZINC001571166623 952762991 /nfs/dbraw/zinc/76/29/91/952762991.db2.gz UHMIZEVWKHDNKZ-NSHDSACASA-N -1 1 380.416 0.276 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnc2n1CCCC2 ZINC001571166649 952763400 /nfs/dbraw/zinc/76/34/00/952763400.db2.gz UKQSNZYOVIJQNX-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnc2n1CCCC2 ZINC001571166649 952763404 /nfs/dbraw/zinc/76/34/04/952763404.db2.gz UKQSNZYOVIJQNX-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1ccncn1 ZINC001571166781 952765196 /nfs/dbraw/zinc/76/51/96/952765196.db2.gz VVWATZGXQBABMC-NEPJUHHUSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1ccncn1 ZINC001571166781 952765202 /nfs/dbraw/zinc/76/52/02/952765202.db2.gz VVWATZGXQBABMC-NEPJUHHUSA-N -1 1 380.416 0.847 20 0 GCADMM Cn1ccc(C(=O)N[C@]23CCC[C@@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571166842 952766536 /nfs/dbraw/zinc/76/65/36/952766536.db2.gz XRBAVUJRWNWDCC-GUYCJALGSA-N -1 1 380.416 0.322 20 0 GCADMM Cn1ccc(C(=O)N[C@]23CCC[C@@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571166842 952766540 /nfs/dbraw/zinc/76/65/40/952766540.db2.gz XRBAVUJRWNWDCC-GUYCJALGSA-N -1 1 380.416 0.322 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571166982 952767344 /nfs/dbraw/zinc/76/73/44/952767344.db2.gz ZUUNAZMHAGAZJK-WOPDTQHZSA-N -1 1 380.416 0.238 20 0 GCADMM O=C([C@H]1CCc2nccn2C1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166951 952767403 /nfs/dbraw/zinc/76/74/03/952767403.db2.gz ZDPMGSBBFPEWFB-NWDGAFQWSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@H]1CCc2nccn2C1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166951 952767406 /nfs/dbraw/zinc/76/74/06/952767406.db2.gz ZDPMGSBBFPEWFB-NWDGAFQWSA-N -1 1 380.416 0.129 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC001571166955 952767876 /nfs/dbraw/zinc/76/78/76/952767876.db2.gz ZEHMGGGIOBGMTN-YUSALJHKSA-N -1 1 380.416 0.244 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC001571166955 952767882 /nfs/dbraw/zinc/76/78/82/952767882.db2.gz ZEHMGGGIOBGMTN-YUSALJHKSA-N -1 1 380.416 0.244 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@H](C)C2)cn1 ZINC001571166970 952767922 /nfs/dbraw/zinc/76/79/22/952767922.db2.gz ZQNOEPLAMXNXGK-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@H](C)C2)cn1 ZINC001571166970 952767924 /nfs/dbraw/zinc/76/79/24/952767924.db2.gz ZQNOEPLAMXNXGK-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)n1 ZINC001571166986 952767969 /nfs/dbraw/zinc/76/79/69/952767969.db2.gz ZYUSHRAETZVKGQ-QGZVFWFLSA-N -1 1 380.416 0.133 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)n1 ZINC001571166986 952767975 /nfs/dbraw/zinc/76/79/75/952767975.db2.gz ZYUSHRAETZVKGQ-QGZVFWFLSA-N -1 1 380.416 0.133 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571169948 952780259 /nfs/dbraw/zinc/78/02/59/952780259.db2.gz AHGMSVLSBHJNFB-CMPLNLGQSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571169948 952780265 /nfs/dbraw/zinc/78/02/65/952780265.db2.gz AHGMSVLSBHJNFB-CMPLNLGQSA-N -1 1 381.400 0.720 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571169977 952781908 /nfs/dbraw/zinc/78/19/08/952781908.db2.gz BIENMULSIHSTJK-SNVBAGLBSA-N -1 1 381.400 0.646 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571169977 952781913 /nfs/dbraw/zinc/78/19/13/952781913.db2.gz BIENMULSIHSTJK-SNVBAGLBSA-N -1 1 381.400 0.646 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cc(-c2nn[nH]n2)n1 ZINC001571170091 952782761 /nfs/dbraw/zinc/78/27/61/952782761.db2.gz CVXRGYRXECWWTC-SNVBAGLBSA-N -1 1 381.400 0.646 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)no1 ZINC001571170205 952784941 /nfs/dbraw/zinc/78/49/41/952784941.db2.gz GAMBPUIORAMVFG-XWIASGKRSA-N -1 1 381.400 0.747 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)no1 ZINC001571170205 952784945 /nfs/dbraw/zinc/78/49/45/952784945.db2.gz GAMBPUIORAMVFG-XWIASGKRSA-N -1 1 381.400 0.747 20 0 GCADMM CCc1noc(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571170701 952788725 /nfs/dbraw/zinc/78/87/25/952788725.db2.gz KQWKZIJNLOYOKP-QWRGUYRKSA-N -1 1 381.400 0.619 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001571170814 952789526 /nfs/dbraw/zinc/78/95/26/952789526.db2.gz LTEIVXQIZKRCHH-FZMZJTMJSA-N -1 1 381.400 0.393 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001571170814 952789529 /nfs/dbraw/zinc/78/95/29/952789529.db2.gz LTEIVXQIZKRCHH-FZMZJTMJSA-N -1 1 381.400 0.393 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001571170813 952790009 /nfs/dbraw/zinc/79/00/09/952790009.db2.gz LTEIVXQIZKRCHH-BXUZGUMPSA-N -1 1 381.400 0.393 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001571170813 952790016 /nfs/dbraw/zinc/79/00/16/952790016.db2.gz LTEIVXQIZKRCHH-BXUZGUMPSA-N -1 1 381.400 0.393 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001571171067 952790803 /nfs/dbraw/zinc/79/08/03/952790803.db2.gz NGDJIIVDJPTKFK-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001571171067 952790806 /nfs/dbraw/zinc/79/08/06/952790806.db2.gz NGDJIIVDJPTKFK-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM CCc1ocnc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571171109 952791826 /nfs/dbraw/zinc/79/18/26/952791826.db2.gz OXTBTQNRHDCITD-PHIMTYICSA-N -1 1 381.400 0.416 20 0 GCADMM CCc1ncoc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571171436 952792532 /nfs/dbraw/zinc/79/25/32/952792532.db2.gz SQVIPIBYGRBDSM-PHIMTYICSA-N -1 1 381.400 0.701 20 0 GCADMM CCc1ncoc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571171436 952792533 /nfs/dbraw/zinc/79/25/33/952792533.db2.gz SQVIPIBYGRBDSM-PHIMTYICSA-N -1 1 381.400 0.701 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571171520 952793840 /nfs/dbraw/zinc/79/38/40/952793840.db2.gz BJGKMCRZTOZFAO-LURJTMIESA-N -1 1 380.825 0.412 20 0 GCADMM CCc1nc(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)co1 ZINC001571171645 952796288 /nfs/dbraw/zinc/79/62/88/952796288.db2.gz USFSJPWMIUNSSG-PHIMTYICSA-N -1 1 381.400 0.416 20 0 GCADMM CCc1nc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)co1 ZINC001571171645 952796290 /nfs/dbraw/zinc/79/62/90/952796290.db2.gz USFSJPWMIUNSSG-PHIMTYICSA-N -1 1 381.400 0.416 20 0 GCADMM C[C@@H]1CN(C(=O)c2ncccc2O)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171835 952797709 /nfs/dbraw/zinc/79/77/09/952797709.db2.gz XYVLCRWPGZMSDD-MNOVXSKESA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nccnc1-c1nn[nH]n1 ZINC001571171835 952797710 /nfs/dbraw/zinc/79/77/10/952797710.db2.gz XYVLCRWPGZMSDD-MNOVXSKESA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1CN(C(=O)c2ncccc2O)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171840 952797863 /nfs/dbraw/zinc/79/78/63/952797863.db2.gz XYVLCRWPGZMSDD-WDEREUQCSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1nccnc1-c1nn[nH]n1 ZINC001571171840 952797867 /nfs/dbraw/zinc/79/78/67/952797867.db2.gz XYVLCRWPGZMSDD-WDEREUQCSA-N -1 1 381.400 0.720 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1ccc(F)cn1 ZINC001571171886 952798849 /nfs/dbraw/zinc/79/88/49/952798849.db2.gz YTSIXASTRDQRPO-RTXFEEFZSA-N -1 1 381.375 0.731 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1ccc(F)cn1 ZINC001571171886 952798853 /nfs/dbraw/zinc/79/88/53/952798853.db2.gz YTSIXASTRDQRPO-RTXFEEFZSA-N -1 1 381.375 0.731 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001571172001 952800263 /nfs/dbraw/zinc/80/02/63/952800263.db2.gz ZZZKCPAJHPDKII-GXSJLCMTSA-N -1 1 381.400 0.659 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172149 952803248 /nfs/dbraw/zinc/80/32/48/952803248.db2.gz NZNKPFIPJDIIGJ-MRVPVSSYSA-N -1 1 380.821 0.902 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571172149 952803254 /nfs/dbraw/zinc/80/32/54/952803254.db2.gz NZNKPFIPJDIIGJ-MRVPVSSYSA-N -1 1 380.821 0.902 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571172518 952807202 /nfs/dbraw/zinc/80/72/02/952807202.db2.gz WAJXPPLSOHEKEA-QMMMGPOBSA-N -1 1 380.821 0.902 20 0 GCADMM Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001571174573 952809958 /nfs/dbraw/zinc/80/99/58/952809958.db2.gz AVMHLFSMQLXJGN-UHFFFAOYSA-N -1 1 381.400 0.465 20 0 GCADMM C[C@@]12CN(C(=O)c3cocn3)C[C@]1(C)CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571174624 952812052 /nfs/dbraw/zinc/81/20/52/952812052.db2.gz CCSIJTZLAMXHOU-CALCHBBNSA-N -1 1 381.400 0.633 20 0 GCADMM C[C@@]12CN(C(=O)c3cocn3)C[C@]1(C)CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571174624 952812055 /nfs/dbraw/zinc/81/20/55/952812055.db2.gz CCSIJTZLAMXHOU-CALCHBBNSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccnc1C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571174684 952812268 /nfs/dbraw/zinc/81/22/68/952812268.db2.gz FEPLNXBQNJWCCI-UHFFFAOYSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccnc1C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571174684 952812275 /nfs/dbraw/zinc/81/22/75/952812275.db2.gz FEPLNXBQNJWCCI-UHFFFAOYSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571174709 952812743 /nfs/dbraw/zinc/81/27/43/952812743.db2.gz FYIUAYYIIVHRSI-LBPRGKRZSA-N -1 1 381.400 0.377 20 0 GCADMM COc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571174709 952812749 /nfs/dbraw/zinc/81/27/49/952812749.db2.gz FYIUAYYIIVHRSI-LBPRGKRZSA-N -1 1 381.400 0.377 20 0 GCADMM COc1cccnc1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571174663 952812967 /nfs/dbraw/zinc/81/29/67/952812967.db2.gz DOPAIYIFOJOXPD-NSHDSACASA-N -1 1 381.400 0.316 20 0 GCADMM COc1cccnc1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571174663 952812973 /nfs/dbraw/zinc/81/29/73/952812973.db2.gz DOPAIYIFOJOXPD-NSHDSACASA-N -1 1 381.400 0.316 20 0 GCADMM Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001571174795 952814189 /nfs/dbraw/zinc/81/41/89/952814189.db2.gz IITGWGRKIOIHHU-NSHDSACASA-N -1 1 381.400 0.322 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)n1 ZINC001571174842 952815206 /nfs/dbraw/zinc/81/52/06/952815206.db2.gz JXLWFMYWWZIXKX-QWRGUYRKSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)n1 ZINC001571174842 952815212 /nfs/dbraw/zinc/81/52/12/952815212.db2.gz JXLWFMYWWZIXKX-QWRGUYRKSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571174852 952815314 /nfs/dbraw/zinc/81/53/14/952815314.db2.gz KGKYRQLBBGFELS-NSHDSACASA-N -1 1 381.400 0.635 20 0 GCADMM COc1cccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571174852 952815319 /nfs/dbraw/zinc/81/53/19/952815319.db2.gz KGKYRQLBBGFELS-NSHDSACASA-N -1 1 381.400 0.635 20 0 GCADMM COc1ccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571174822 952815464 /nfs/dbraw/zinc/81/54/64/952815464.db2.gz JHIYLWMNOHHSLE-KRWDZBQOSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571174822 952815471 /nfs/dbraw/zinc/81/54/71/952815471.db2.gz JHIYLWMNOHHSLE-KRWDZBQOSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)ccn1 ZINC001571175124 952818266 /nfs/dbraw/zinc/81/82/66/952818266.db2.gz PYXLVILJOOWLNG-ZWNOBZJWSA-N -1 1 381.400 0.315 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)ccn1 ZINC001571175124 952818271 /nfs/dbraw/zinc/81/82/71/952818271.db2.gz PYXLVILJOOWLNG-ZWNOBZJWSA-N -1 1 381.400 0.315 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571175092 952818282 /nfs/dbraw/zinc/81/82/82/952818282.db2.gz PDKXXZRBFQQZGA-PWSUYJOCSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571175092 952818286 /nfs/dbraw/zinc/81/82/86/952818286.db2.gz PDKXXZRBFQQZGA-PWSUYJOCSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)n1 ZINC001571175109 952818577 /nfs/dbraw/zinc/81/85/77/952818577.db2.gz PPSPMFQNSWXLMP-GHMZBOCLSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)n1 ZINC001571175109 952818585 /nfs/dbraw/zinc/81/85/85/952818585.db2.gz PPSPMFQNSWXLMP-GHMZBOCLSA-N -1 1 381.400 0.775 20 0 GCADMM Cc1cc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)no1 ZINC001571175273 952819382 /nfs/dbraw/zinc/81/93/82/952819382.db2.gz RKPYQRABAJXVQB-STQMWFEESA-N -1 1 381.400 0.375 20 0 GCADMM Cc1cc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)no1 ZINC001571175273 952819388 /nfs/dbraw/zinc/81/93/88/952819388.db2.gz RKPYQRABAJXVQB-STQMWFEESA-N -1 1 381.400 0.375 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1ccon1 ZINC001571175350 952820451 /nfs/dbraw/zinc/82/04/51/952820451.db2.gz BDFGDHWHGXGNPS-IJLUTSLNSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(=O)[nH]1 ZINC001571175395 952820511 /nfs/dbraw/zinc/82/05/11/952820511.db2.gz BZVHYXIYJGKRDA-GHMZBOCLSA-N -1 1 381.400 0.190 20 0 GCADMM Cc1cccnc1C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571175344 952820661 /nfs/dbraw/zinc/82/06/61/952820661.db2.gz UCEWNQDXRCPUFW-GFCCVEGCSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1cccnc1C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571175344 952820665 /nfs/dbraw/zinc/82/06/65/952820665.db2.gz UCEWNQDXRCPUFW-GFCCVEGCSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)c[nH]1 ZINC001571175347 952821414 /nfs/dbraw/zinc/82/14/14/952821414.db2.gz UCQCAVGLCPHSDA-GHMZBOCLSA-N -1 1 381.400 0.369 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)c[nH]1 ZINC001571175347 952821421 /nfs/dbraw/zinc/82/14/21/952821421.db2.gz UCQCAVGLCPHSDA-GHMZBOCLSA-N -1 1 381.400 0.369 20 0 GCADMM COc1cccc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571175578 952822066 /nfs/dbraw/zinc/82/20/66/952822066.db2.gz VPLSNJUNEUONAY-UHFFFAOYSA-N -1 1 381.400 0.103 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571175552 952822578 /nfs/dbraw/zinc/82/25/78/952822578.db2.gz UTSXOFMHFALKKE-ZYHUDNBSSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571175552 952822582 /nfs/dbraw/zinc/82/25/82/952822582.db2.gz UTSXOFMHFALKKE-ZYHUDNBSSA-N -1 1 381.400 0.633 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3ccncc3)CCO2)n1 ZINC001571175729 952824785 /nfs/dbraw/zinc/82/47/85/952824785.db2.gz YHWHTIRHAFCPMY-CYBMUJFWSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3ccncc3)CCO2)n1 ZINC001571175729 952824791 /nfs/dbraw/zinc/82/47/91/952824791.db2.gz YHWHTIRHAFCPMY-CYBMUJFWSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1conc1C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571175913 952826426 /nfs/dbraw/zinc/82/64/26/952826426.db2.gz HXKXQTMHSWHLAW-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1conc1C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571175913 952826433 /nfs/dbraw/zinc/82/64/33/952826433.db2.gz HXKXQTMHSWHLAW-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1nocc1C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571175903 952826545 /nfs/dbraw/zinc/82/65/45/952826545.db2.gz HJQOISPPCVGXKF-SJCJKPOMSA-N -1 1 381.400 0.885 20 0 GCADMM COc1cccnc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571175781 952827111 /nfs/dbraw/zinc/82/71/11/952827111.db2.gz ZRBBJAABJISZTN-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM Cc1noc(C)c1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571176161 952828963 /nfs/dbraw/zinc/82/89/63/952828963.db2.gz MVHODINTIWWXAV-TXEJJXNPSA-N -1 1 381.400 0.470 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571176295 952829223 /nfs/dbraw/zinc/82/92/23/952829223.db2.gz OHTNPUPNNOWJCA-JYAVWHMHSA-N -1 1 381.400 0.055 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571176171 952829490 /nfs/dbraw/zinc/82/94/90/952829490.db2.gz NKKDJWNPDOKFKM-WCQYABFASA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571176171 952829495 /nfs/dbraw/zinc/82/94/95/952829495.db2.gz NKKDJWNPDOKFKM-WCQYABFASA-N -1 1 381.400 0.694 20 0 GCADMM Cc1ccncc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571176160 952829916 /nfs/dbraw/zinc/82/99/16/952829916.db2.gz MVGHPMREYOMXKZ-LBPRGKRZSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1ccncc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571176160 952829920 /nfs/dbraw/zinc/82/99/20/952829920.db2.gz MVGHPMREYOMXKZ-LBPRGKRZSA-N -1 1 381.400 0.313 20 0 GCADMM O=C(Cc1ccon1)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571176350 952830438 /nfs/dbraw/zinc/83/04/38/952830438.db2.gz QDKDAUBYDRBWHI-SUMWQHHRSA-N -1 1 381.400 0.505 20 0 GCADMM O=C(Cc1ccon1)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571176350 952830442 /nfs/dbraw/zinc/83/04/42/952830442.db2.gz QDKDAUBYDRBWHI-SUMWQHHRSA-N -1 1 381.400 0.505 20 0 GCADMM O=C(Cc1cnoc1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571176491 952832066 /nfs/dbraw/zinc/83/20/66/952832066.db2.gz RUMCHCHRHWBPLE-KGLIPLIRSA-N -1 1 381.400 0.457 20 0 GCADMM O=C(Cc1cnoc1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571176491 952832072 /nfs/dbraw/zinc/83/20/72/952832072.db2.gz RUMCHCHRHWBPLE-KGLIPLIRSA-N -1 1 381.400 0.457 20 0 GCADMM Cc1conc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571176584 952833000 /nfs/dbraw/zinc/83/30/00/952833000.db2.gz VGYXUMRPGOUIIU-VXGBXAGGSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571176601 952833191 /nfs/dbraw/zinc/83/31/91/952833191.db2.gz VRZHKDZTMGITES-CHWSQXEVSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571176601 952833192 /nfs/dbraw/zinc/83/31/92/952833192.db2.gz VRZHKDZTMGITES-CHWSQXEVSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cnoc1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571176703 952834988 /nfs/dbraw/zinc/83/49/88/952834988.db2.gz XPYUKZJGXDIBNM-PXAZEXFGSA-N -1 1 381.400 0.885 20 0 GCADMM Cc1cnoc1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571176703 952834993 /nfs/dbraw/zinc/83/49/93/952834993.db2.gz XPYUKZJGXDIBNM-PXAZEXFGSA-N -1 1 381.400 0.885 20 0 GCADMM Cc1noc(C)c1C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571176630 952835085 /nfs/dbraw/zinc/83/50/85/952835085.db2.gz WLXDNJPMEPHVNW-WCQYABFASA-N -1 1 381.400 0.612 20 0 GCADMM Cc1noc(C)c1C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571176630 952835088 /nfs/dbraw/zinc/83/50/88/952835088.db2.gz WLXDNJPMEPHVNW-WCQYABFASA-N -1 1 381.400 0.612 20 0 GCADMM Cc1ncoc1C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571176928 952835414 /nfs/dbraw/zinc/83/54/14/952835414.db2.gz ZSXVZONXAOAQMA-GTNSWQLSSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1ncoc1C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571176928 952835420 /nfs/dbraw/zinc/83/54/20/952835420.db2.gz ZSXVZONXAOAQMA-GTNSWQLSSA-N -1 1 381.400 0.742 20 0 GCADMM O=C(CCc1ccon1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571176911 952835509 /nfs/dbraw/zinc/83/55/09/952835509.db2.gz ZKUOSRHZSBJFKS-SMDDNHRTSA-N -1 1 381.400 0.315 20 0 GCADMM O=C(CCc1ccon1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571176911 952835515 /nfs/dbraw/zinc/83/55/15/952835515.db2.gz ZKUOSRHZSBJFKS-SMDDNHRTSA-N -1 1 381.400 0.315 20 0 GCADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ncoc1C1CC1 ZINC001571176921 952836031 /nfs/dbraw/zinc/83/60/31/952836031.db2.gz ZSNPYEBALAXQBG-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(CCc1ccc(=O)[nH]c1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571176920 952836204 /nfs/dbraw/zinc/83/62/04/952836204.db2.gz ZSFNJEHPBSOWPO-LBPRGKRZSA-N -1 1 381.400 0.403 20 0 GCADMM O=C(CCc1ccc(=O)[nH]c1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571176920 952836212 /nfs/dbraw/zinc/83/62/12/952836212.db2.gz ZSFNJEHPBSOWPO-LBPRGKRZSA-N -1 1 381.400 0.403 20 0 GCADMM O=C(c1ccon1)N1C[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001571178287 952837517 /nfs/dbraw/zinc/83/75/17/952837517.db2.gz FIELRGRWPMBQON-QJPTWQEYSA-N -1 1 381.400 0.419 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571178297 952839122 /nfs/dbraw/zinc/83/91/22/952839122.db2.gz FNEJEQPYVKNKPX-LBPRGKRZSA-N -1 1 381.400 0.864 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571178297 952839131 /nfs/dbraw/zinc/83/91/31/952839131.db2.gz FNEJEQPYVKNKPX-LBPRGKRZSA-N -1 1 381.400 0.864 20 0 GCADMM O=C(c1cocn1)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571178445 952840301 /nfs/dbraw/zinc/84/03/01/952840301.db2.gz IYXKOBXOIQMZBW-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(c1cocn1)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571178445 952840306 /nfs/dbraw/zinc/84/03/06/952840306.db2.gz IYXKOBXOIQMZBW-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(c1ncccc1[O-])N1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571178460 952841833 /nfs/dbraw/zinc/84/18/33/952841833.db2.gz JJDPETYGUMZVNX-NSHDSACASA-N -1 1 381.400 0.722 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cn(C2CCC2)nn1 ZINC001571178911 952849122 /nfs/dbraw/zinc/84/91/22/952849122.db2.gz XTMVUEKMRNOLPT-MGCOHNPYSA-N -1 1 381.404 0.346 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cn(C2CCC2)nn1 ZINC001571178911 952849129 /nfs/dbraw/zinc/84/91/29/952849129.db2.gz XTMVUEKMRNOLPT-MGCOHNPYSA-N -1 1 381.404 0.346 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)n1cccc1 ZINC001571179424 952853924 /nfs/dbraw/zinc/85/39/24/952853924.db2.gz DNSXKEMUVDQBDB-HZSPNIEDSA-N -1 1 381.444 0.648 20 0 GCADMM CCCc1[nH]ccc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571183732 952882616 /nfs/dbraw/zinc/88/26/16/952882616.db2.gz IHEHYVHNYWXFPI-HAQNSBGRSA-N -1 1 381.444 0.980 20 0 GCADMM CCc1c(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571183919 952885692 /nfs/dbraw/zinc/88/56/92/952885692.db2.gz MUNHEFRGTKBLKX-GFCCVEGCSA-N -1 1 381.444 0.909 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3ccn(C)c3C)C2)n1 ZINC001571184055 952886734 /nfs/dbraw/zinc/88/67/34/952886734.db2.gz PGDPJSWHDBUJQD-LBPRGKRZSA-N -1 1 381.444 0.875 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3ccn(C)c3C)C2)n1 ZINC001571184055 952886738 /nfs/dbraw/zinc/88/67/38/952886738.db2.gz PGDPJSWHDBUJQD-LBPRGKRZSA-N -1 1 381.444 0.875 20 0 GCADMM CCc1c(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)ccn1C ZINC001571184226 952889369 /nfs/dbraw/zinc/88/93/69/952889369.db2.gz UFTVGYAVOVVSHL-GFCCVEGCSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1c(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)ccn1C ZINC001571184226 952889371 /nfs/dbraw/zinc/88/93/71/952889371.db2.gz UFTVGYAVOVVSHL-GFCCVEGCSA-N -1 1 381.444 0.956 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CNC(=O)c3ccn(C)c3)C2)n1 ZINC001571185121 952899619 /nfs/dbraw/zinc/89/96/19/952899619.db2.gz ITNXCSRIECVYSJ-ZDUSSCGKSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CNC(=O)c3ccn(C)c3)C2)n1 ZINC001571185121 952899626 /nfs/dbraw/zinc/89/96/26/952899626.db2.gz ITNXCSRIECVYSJ-ZDUSSCGKSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1c(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)ccn1C ZINC001571185298 952901296 /nfs/dbraw/zinc/90/12/96/952901296.db2.gz KKSCGEZLDWTKQH-CQSZACIVSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1c(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)ccn1C ZINC001571185298 952901300 /nfs/dbraw/zinc/90/13/00/952901300.db2.gz KKSCGEZLDWTKQH-CQSZACIVSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c(C)[nH]1 ZINC001571185484 952901873 /nfs/dbraw/zinc/90/18/73/952901873.db2.gz MGPVKNVYYARKGC-GXFFZTMASA-N -1 1 381.444 0.844 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c(C)[nH]1 ZINC001571185469 952901885 /nfs/dbraw/zinc/90/18/85/952901885.db2.gz MGPVKNVYYARKGC-GWCFXTLKSA-N -1 1 381.444 0.844 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cccn2C)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571185491 952902384 /nfs/dbraw/zinc/90/23/84/952902384.db2.gz MHPXORJJINOLBU-ZDUSSCGKSA-N -1 1 381.444 0.984 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cccn2C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571185491 952902386 /nfs/dbraw/zinc/90/23/86/952902386.db2.gz MHPXORJJINOLBU-ZDUSSCGKSA-N -1 1 381.444 0.984 20 0 GCADMM Cc1ccn(C)c1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571188201 952912445 /nfs/dbraw/zinc/91/24/45/952912445.db2.gz ICDDAIJMGLNXDH-UHFFFAOYSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1ccn(C)c1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571188201 952912449 /nfs/dbraw/zinc/91/24/49/952912449.db2.gz ICDDAIJMGLNXDH-UHFFFAOYSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)n1C ZINC001571188567 952917680 /nfs/dbraw/zinc/91/76/80/952917680.db2.gz LFKQFECHGNGPIH-ZDUSSCGKSA-N -1 1 381.444 0.690 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)n1C ZINC001571188868 952921771 /nfs/dbraw/zinc/92/17/71/952921771.db2.gz OLPBUDISUFNMQZ-BETUJISGSA-N -1 1 381.444 0.654 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001571193775 952952423 /nfs/dbraw/zinc/95/24/23/952952423.db2.gz CCUCDLMYDGESRA-VHSXEESVSA-N -1 1 382.388 0.163 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccc(=O)[nH]n1 ZINC001571193775 952952426 /nfs/dbraw/zinc/95/24/26/952952426.db2.gz CCUCDLMYDGESRA-VHSXEESVSA-N -1 1 382.388 0.163 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnc[nH]c1=O ZINC001571193854 952953209 /nfs/dbraw/zinc/95/32/09/952953209.db2.gz FNIIQHRXNPRUCJ-VHSXEESVSA-N -1 1 382.388 0.163 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnc[nH]c1=O ZINC001571193854 952953211 /nfs/dbraw/zinc/95/32/11/952953211.db2.gz FNIIQHRXNPRUCJ-VHSXEESVSA-N -1 1 382.388 0.163 20 0 GCADMM COc1nccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571194066 952956731 /nfs/dbraw/zinc/95/67/31/952956731.db2.gz IIOADQVEDWYSOH-BXKDBHETSA-N -1 1 382.388 0.028 20 0 GCADMM COc1nccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571194066 952956735 /nfs/dbraw/zinc/95/67/35/952956735.db2.gz IIOADQVEDWYSOH-BXKDBHETSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cnc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)nc1 ZINC001571194050 952956769 /nfs/dbraw/zinc/95/67/69/952956769.db2.gz HWJMYXJSPWUXRU-MGCOHNPYSA-N -1 1 382.388 0.137 20 0 GCADMM COc1cnc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571194050 952956772 /nfs/dbraw/zinc/95/67/72/952956772.db2.gz HWJMYXJSPWUXRU-MGCOHNPYSA-N -1 1 382.388 0.137 20 0 GCADMM COc1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)ncn1 ZINC001571194115 952958046 /nfs/dbraw/zinc/95/80/46/952958046.db2.gz ITIBXXMUFRMAGO-ONGXEEELSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)ncn1 ZINC001571194115 952958056 /nfs/dbraw/zinc/95/80/56/952958056.db2.gz ITIBXXMUFRMAGO-ONGXEEELSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cc(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)ncn1 ZINC001571194317 952961042 /nfs/dbraw/zinc/96/10/42/952961042.db2.gz LUNSTUWJBNKKGM-UHFFFAOYSA-N -1 1 382.388 0.076 20 0 GCADMM COc1cc(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)ncn1 ZINC001571194317 952961046 /nfs/dbraw/zinc/96/10/46/952961046.db2.gz LUNSTUWJBNKKGM-UHFFFAOYSA-N -1 1 382.388 0.076 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C1 ZINC001571194365 952961691 /nfs/dbraw/zinc/96/16/91/952961691.db2.gz MSWQCLVRLDNQQU-AXFHLTTASA-N -1 1 382.388 0.393 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001571194365 952961693 /nfs/dbraw/zinc/96/16/93/952961693.db2.gz MSWQCLVRLDNQQU-AXFHLTTASA-N -1 1 382.388 0.393 20 0 GCADMM CN(C)c1noc(C[N-]S(=O)(=O)Cc2ccc(F)cc2-c2nn[nH]n2)n1 ZINC001571194420 952963055 /nfs/dbraw/zinc/96/30/55/952963055.db2.gz LXNGFYJHOBPXCE-UHFFFAOYSA-N -1 1 382.381 0.074 20 0 GCADMM O=C(c1cnon1)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@H]21 ZINC001571194559 952964432 /nfs/dbraw/zinc/96/44/32/952964432.db2.gz OLUPHWGYOITTSJ-GXFFZTMASA-N -1 1 382.388 0.171 20 0 GCADMM O=C(c1cnon1)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571194559 952964434 /nfs/dbraw/zinc/96/44/34/952964434.db2.gz OLUPHWGYOITTSJ-GXFFZTMASA-N -1 1 382.388 0.171 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001571194722 952966766 /nfs/dbraw/zinc/96/67/66/952966766.db2.gz QOKLSBLKQVAEFM-UHFFFAOYSA-N -1 1 382.388 0.259 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001571194722 952966769 /nfs/dbraw/zinc/96/67/69/952966769.db2.gz QOKLSBLKQVAEFM-UHFFFAOYSA-N -1 1 382.388 0.259 20 0 GCADMM CC1(C)CN(C(=O)c2cnc[nH]c2=O)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571194718 952967428 /nfs/dbraw/zinc/96/74/28/952967428.db2.gz RNEHQMGWUFBCQI-SNVBAGLBSA-N -1 1 382.388 0.115 20 0 GCADMM CC1(C)CN(C(=O)c2cnc[nH]c2=O)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571194718 952967434 /nfs/dbraw/zinc/96/74/34/952967434.db2.gz RNEHQMGWUFBCQI-SNVBAGLBSA-N -1 1 382.388 0.115 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001571194849 952969466 /nfs/dbraw/zinc/96/94/66/952969466.db2.gz SXNQTQDPRVLHGD-NXEZZACHSA-N -1 1 382.384 0.328 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1occ2c1CCOC2 ZINC001571195041 952972617 /nfs/dbraw/zinc/97/26/17/952972617.db2.gz WSOCNIZLPSQBKZ-NSHDSACASA-N -1 1 382.384 0.331 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1occ2c1CCOC2 ZINC001571195041 952972619 /nfs/dbraw/zinc/97/26/19/952972619.db2.gz WSOCNIZLPSQBKZ-NSHDSACASA-N -1 1 382.384 0.331 20 0 GCADMM Cn1c(=O)[nH]c(NCCc2cc(C(F)(F)F)ccn2)c(-c2nn[n-]n2)c1=O ZINC001571195097 952973202 /nfs/dbraw/zinc/97/32/02/952973202.db2.gz YJALEBMEWCJTIU-UHFFFAOYSA-N -1 1 382.306 0.734 20 0 GCADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001571195136 952973538 /nfs/dbraw/zinc/97/35/38/952973538.db2.gz ZWMXHBWPFUEGNT-INIZCTEOSA-N -1 1 382.388 0.117 20 0 GCADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001571195136 952973542 /nfs/dbraw/zinc/97/35/42/952973542.db2.gz ZWMXHBWPFUEGNT-INIZCTEOSA-N -1 1 382.388 0.117 20 0 GCADMM O=C(CCc1ccccc1F)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571196946 952986252 /nfs/dbraw/zinc/98/62/52/952986252.db2.gz QPUWOCDCWXWFJM-CYBMUJFWSA-N -1 1 382.403 0.863 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)n1 ZINC001571201762 953019916 /nfs/dbraw/zinc/01/99/16/953019916.db2.gz NVJAFXZCOBEOCJ-MIBAYGRRSA-N -1 1 382.428 0.037 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)n1 ZINC001571201762 953019921 /nfs/dbraw/zinc/01/99/21/953019921.db2.gz NVJAFXZCOBEOCJ-MIBAYGRRSA-N -1 1 382.428 0.037 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ccco2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571202516 953026802 /nfs/dbraw/zinc/02/68/02/953026802.db2.gz ZSJSVYFKKBBNJS-OLZOCXBDSA-N -1 1 382.428 0.811 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)cn2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571204542 953029793 /nfs/dbraw/zinc/02/97/93/953029793.db2.gz ASICNQTYCDFNKE-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)cn2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571204542 953029798 /nfs/dbraw/zinc/02/97/98/953029798.db2.gz ASICNQTYCDFNKE-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM CCc1c[nH]c(CC(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571204591 953030331 /nfs/dbraw/zinc/03/03/31/953030331.db2.gz BJSNYJITJIHBCZ-GFCCVEGCSA-N -1 1 382.432 0.270 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571204530 953030356 /nfs/dbraw/zinc/03/03/56/953030356.db2.gz AHKOLXMVERXXEZ-CMPLNLGQSA-N -1 1 382.432 0.586 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn(C)c2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571204546 953030368 /nfs/dbraw/zinc/03/03/68/953030368.db2.gz ASPUCLWWAAFWDD-NWDGAFQWSA-N -1 1 382.432 0.022 20 0 GCADMM CCCn1nccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571204563 953030492 /nfs/dbraw/zinc/03/04/92/953030492.db2.gz BEYLDOFRUGCCBJ-GFCCVEGCSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)[nH]n1 ZINC001571204613 953030890 /nfs/dbraw/zinc/03/08/90/953030890.db2.gz BMYUQNYWAIRHNQ-ZYHUDNBSSA-N -1 1 382.432 0.730 20 0 GCADMM O=C([C@H]1C[C@]12CCOC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571204633 953031187 /nfs/dbraw/zinc/03/11/87/953031187.db2.gz ATDNQYUOXZSMEF-WLHTULFXSA-N -1 1 382.428 0.263 20 0 GCADMM O=C([C@H]1C[C@]12CCOC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571204633 953031190 /nfs/dbraw/zinc/03/11/90/953031190.db2.gz ATDNQYUOXZSMEF-WLHTULFXSA-N -1 1 382.428 0.263 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571204826 953032327 /nfs/dbraw/zinc/03/23/27/953032327.db2.gz CEPLVWXBEMRCMJ-GFCCVEGCSA-N -1 1 382.432 0.532 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571204826 953032332 /nfs/dbraw/zinc/03/23/32/953032332.db2.gz CEPLVWXBEMRCMJ-GFCCVEGCSA-N -1 1 382.432 0.532 20 0 GCADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2nc(C)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001571204882 953033271 /nfs/dbraw/zinc/03/32/71/953033271.db2.gz DSRIIPOHCNHGAR-LLVKDONJSA-N -1 1 382.432 0.967 20 0 GCADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2nc(C)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001571204882 953033274 /nfs/dbraw/zinc/03/32/74/953033274.db2.gz DSRIIPOHCNHGAR-LLVKDONJSA-N -1 1 382.432 0.967 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001571204875 953033726 /nfs/dbraw/zinc/03/37/26/953033726.db2.gz DOHIXEHYVVPUEG-FZMZJTMJSA-N -1 1 382.432 0.886 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001571204875 953033729 /nfs/dbraw/zinc/03/37/29/953033729.db2.gz DOHIXEHYVVPUEG-FZMZJTMJSA-N -1 1 382.432 0.886 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571204959 953035347 /nfs/dbraw/zinc/03/53/47/953035347.db2.gz DYJGKILIHURPCL-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571204959 953035349 /nfs/dbraw/zinc/03/53/49/953035349.db2.gz DYJGKILIHURPCL-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)c3ccnn3C)C2)n1 ZINC001571205161 953035961 /nfs/dbraw/zinc/03/59/61/953035961.db2.gz GTTNMALTVKKGSB-NSHDSACASA-N -1 1 382.432 0.351 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)c3ccnn3C)C2)n1 ZINC001571205161 953035966 /nfs/dbraw/zinc/03/59/66/953035966.db2.gz GTTNMALTVKKGSB-NSHDSACASA-N -1 1 382.432 0.351 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571205222 953037047 /nfs/dbraw/zinc/03/70/47/953037047.db2.gz HZRMYOPEYCRQIL-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571205222 953037050 /nfs/dbraw/zinc/03/70/50/953037050.db2.gz HZRMYOPEYCRQIL-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571205437 953037920 /nfs/dbraw/zinc/03/79/20/953037920.db2.gz IMKYJBVMFZXLCL-LLVKDONJSA-N -1 1 382.432 0.588 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571205437 953037925 /nfs/dbraw/zinc/03/79/25/953037925.db2.gz IMKYJBVMFZXLCL-LLVKDONJSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001571205428 953038005 /nfs/dbraw/zinc/03/80/05/953038005.db2.gz IBXQQHKJBFDNMQ-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001571205428 953038008 /nfs/dbraw/zinc/03/80/08/953038008.db2.gz IBXQQHKJBFDNMQ-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3c(C)cnn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571205435 953038464 /nfs/dbraw/zinc/03/84/64/953038464.db2.gz IGEXCKYZXLJKTA-PHIMTYICSA-N -1 1 382.432 0.634 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3c(C)cnn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571205435 953038465 /nfs/dbraw/zinc/03/84/65/953038465.db2.gz IGEXCKYZXLJKTA-PHIMTYICSA-N -1 1 382.432 0.634 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205514 953038667 /nfs/dbraw/zinc/03/86/67/953038667.db2.gz KYTRLNAPHFNJMF-KRWDZBQOSA-N -1 1 382.432 0.328 20 0 GCADMM CCc1c(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571205478 953038872 /nfs/dbraw/zinc/03/88/72/953038872.db2.gz JQCSKGIWPASCCZ-ZWNOBZJWSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1c(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571205478 953038878 /nfs/dbraw/zinc/03/88/78/953038878.db2.gz JQCSKGIWPASCCZ-ZWNOBZJWSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1cc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n(C)n1 ZINC001571205479 953039385 /nfs/dbraw/zinc/03/93/85/953039385.db2.gz JRAUFKQWDUWGEV-GFCCVEGCSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1cc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001571205479 953039388 /nfs/dbraw/zinc/03/93/88/953039388.db2.gz JRAUFKQWDUWGEV-GFCCVEGCSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)[nH]n1 ZINC001571205475 953039469 /nfs/dbraw/zinc/03/94/69/953039469.db2.gz JOZXRQBYBPELQM-CYBMUJFWSA-N -1 1 382.432 0.905 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571205720 953041701 /nfs/dbraw/zinc/04/17/01/953041701.db2.gz KYQRKTKELUQYME-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571205720 953041708 /nfs/dbraw/zinc/04/17/08/953041708.db2.gz KYQRKTKELUQYME-LBPRGKRZSA-N -1 1 382.432 0.617 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC[C@H]2C)n1 ZINC001571205819 953042041 /nfs/dbraw/zinc/04/20/41/953042041.db2.gz BMUZPXSBLYDGEX-YPMHNXCESA-N -1 1 382.432 0.404 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC[C@H]2C)n1 ZINC001571205819 953042045 /nfs/dbraw/zinc/04/20/45/953042045.db2.gz BMUZPXSBLYDGEX-YPMHNXCESA-N -1 1 382.432 0.404 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001571205804 953042240 /nfs/dbraw/zinc/04/22/40/953042240.db2.gz MFVHVOSBDZRVBC-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001571205804 953042245 /nfs/dbraw/zinc/04/22/45/953042245.db2.gz MFVHVOSBDZRVBC-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM CCc1n[nH]cc1C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001571205887 953043742 /nfs/dbraw/zinc/04/37/42/953043742.db2.gz NLOKPDBVDLEXQG-LLVKDONJSA-N -1 1 382.432 0.731 20 0 GCADMM CCc1n[nH]cc1C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001571205887 953043744 /nfs/dbraw/zinc/04/37/44/953043744.db2.gz NLOKPDBVDLEXQG-LLVKDONJSA-N -1 1 382.432 0.731 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571205882 953044080 /nfs/dbraw/zinc/04/40/80/953044080.db2.gz NIZCLMKCCTVZNV-MNOVXSKESA-N -1 1 382.432 0.966 20 0 GCADMM CCc1nc(NC[C@@H]2CCCN2C(=O)c2cnn(C)c2)cc(-c2nnn[n-]2)n1 ZINC001571205935 953044773 /nfs/dbraw/zinc/04/47/73/953044773.db2.gz OOZIVLPXSLPHKK-LBPRGKRZSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nc(NC[C@@H]2CCCN2C(=O)c2cnn(C)c2)cc(-c2nn[n-]n2)n1 ZINC001571205935 953044775 /nfs/dbraw/zinc/04/47/75/953044775.db2.gz OOZIVLPXSLPHKK-LBPRGKRZSA-N -1 1 382.432 0.669 20 0 GCADMM CCn1cc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)c(C)n1 ZINC001571205936 953044822 /nfs/dbraw/zinc/04/48/22/953044822.db2.gz OQICTBUVBRWQTN-UHFFFAOYSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1cc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)c(C)n1 ZINC001571205936 953044825 /nfs/dbraw/zinc/04/48/25/953044825.db2.gz OQICTBUVBRWQTN-UHFFFAOYSA-N -1 1 382.432 0.898 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206010 953045655 /nfs/dbraw/zinc/04/56/55/953045655.db2.gz QSNBEFIMDACFJO-QWRGUYRKSA-N -1 1 382.432 0.517 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)nn1C ZINC001571206071 953046264 /nfs/dbraw/zinc/04/62/64/953046264.db2.gz RKZFVAXSSCFVBS-LBPRGKRZSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)nn1C ZINC001571206071 953046267 /nfs/dbraw/zinc/04/62/67/953046267.db2.gz RKZFVAXSSCFVBS-LBPRGKRZSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nn(C)cc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571206062 953046456 /nfs/dbraw/zinc/04/64/56/953046456.db2.gz RIHAYTXIATYOKA-LLVKDONJSA-N -1 1 382.432 0.209 20 0 GCADMM CCc1nn(C)cc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571206062 953046459 /nfs/dbraw/zinc/04/64/59/953046459.db2.gz RIHAYTXIATYOKA-LLVKDONJSA-N -1 1 382.432 0.209 20 0 GCADMM CCn1cnc(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571206099 953046798 /nfs/dbraw/zinc/04/67/98/953046798.db2.gz DCKQOJCJTHSDCM-GFCCVEGCSA-N -1 1 382.432 0.980 20 0 GCADMM CCn1cnc(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571206099 953046803 /nfs/dbraw/zinc/04/68/03/953046803.db2.gz DCKQOJCJTHSDCM-GFCCVEGCSA-N -1 1 382.432 0.980 20 0 GCADMM CC(C)c1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n(C)n1 ZINC001571206117 953047121 /nfs/dbraw/zinc/04/71/21/953047121.db2.gz MLWCHZKUHJNHLA-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n(C)n1 ZINC001571206117 953047125 /nfs/dbraw/zinc/04/71/25/953047125.db2.gz MLWCHZKUHJNHLA-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CCCn1nccc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571206091 953047245 /nfs/dbraw/zinc/04/72/45/953047245.db2.gz RRHHZHNPAIHGJK-QGZVFWFLSA-N -1 1 382.432 0.662 20 0 GCADMM CCCn1nccc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571206091 953047249 /nfs/dbraw/zinc/04/72/49/953047249.db2.gz RRHHZHNPAIHGJK-QGZVFWFLSA-N -1 1 382.432 0.662 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2C)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571206096 953047422 /nfs/dbraw/zinc/04/74/22/953047422.db2.gz RTQKCSFVZQLCNP-QWHCGFSZSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3cnn(C)c3)CC[C@@H]2C)n1 ZINC001571206176 953048244 /nfs/dbraw/zinc/04/82/44/953048244.db2.gz DTBOBCBPEBWFLT-AAEUAGOBSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3cnn(C)c3)CC[C@@H]2C)n1 ZINC001571206176 953048245 /nfs/dbraw/zinc/04/82/45/953048245.db2.gz DTBOBCBPEBWFLT-AAEUAGOBSA-N -1 1 382.432 0.486 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571206229 953048297 /nfs/dbraw/zinc/04/82/97/953048297.db2.gz SLTWAXCHBPBLKJ-LLVKDONJSA-N -1 1 382.432 0.506 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n(C)n1 ZINC001571206227 953048401 /nfs/dbraw/zinc/04/84/01/953048401.db2.gz SGPZCLXSOJUXLZ-ZWNOBZJWSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001571206227 953048403 /nfs/dbraw/zinc/04/84/03/953048403.db2.gz SGPZCLXSOJUXLZ-ZWNOBZJWSA-N -1 1 382.432 0.525 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571206318 953050040 /nfs/dbraw/zinc/05/00/40/953050040.db2.gz FMNSMUDTAOMETJ-YGRLFVJLSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206318 953050042 /nfs/dbraw/zinc/05/00/42/953050042.db2.gz FMNSMUDTAOMETJ-YGRLFVJLSA-N -1 1 382.432 0.754 20 0 GCADMM CCCc1n[nH]cc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206362 953050436 /nfs/dbraw/zinc/05/04/36/953050436.db2.gz UHOOLADDBOARSU-XYPYZODXSA-N -1 1 382.432 0.953 20 0 GCADMM CCCc1n[nH]cc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206362 953050437 /nfs/dbraw/zinc/05/04/37/953050437.db2.gz UHOOLADDBOARSU-XYPYZODXSA-N -1 1 382.432 0.953 20 0 GCADMM C[C@@H](NC(=O)c1ccn(C)n1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571206423 953050814 /nfs/dbraw/zinc/05/08/14/953050814.db2.gz GUHUVVIWVYPPIW-LLVKDONJSA-N -1 1 382.432 0.425 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206489 953051789 /nfs/dbraw/zinc/05/17/89/953051789.db2.gz HGSJANOTPMKOGR-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206489 953051793 /nfs/dbraw/zinc/05/17/93/953051793.db2.gz HGSJANOTPMKOGR-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)n1 ZINC001571206480 953052213 /nfs/dbraw/zinc/05/22/13/953052213.db2.gz HFCRCDNYTHPILY-GFCCVEGCSA-N -1 1 382.432 0.581 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)n1 ZINC001571206480 953052216 /nfs/dbraw/zinc/05/22/16/953052216.db2.gz HFCRCDNYTHPILY-GFCCVEGCSA-N -1 1 382.432 0.581 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@H](NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206546 953052220 /nfs/dbraw/zinc/05/22/20/953052220.db2.gz ICDMVXMEIVMEPH-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@H](NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206546 953052224 /nfs/dbraw/zinc/05/22/24/953052224.db2.gz ICDMVXMEIVMEPH-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)CCn3cccn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571206488 953052271 /nfs/dbraw/zinc/05/22/71/953052271.db2.gz UYJRRXVDJHXHCI-GFCCVEGCSA-N -1 1 382.432 0.519 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)CCn3cccn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571206488 953052274 /nfs/dbraw/zinc/05/22/74/953052274.db2.gz UYJRRXVDJHXHCI-GFCCVEGCSA-N -1 1 382.432 0.519 20 0 GCADMM CCCn1cc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571206594 953053051 /nfs/dbraw/zinc/05/30/51/953053051.db2.gz VPQFRXZLWJCYET-CYBMUJFWSA-N -1 1 382.432 0.614 20 0 GCADMM CCCn1cc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571206594 953053054 /nfs/dbraw/zinc/05/30/54/953053054.db2.gz VPQFRXZLWJCYET-CYBMUJFWSA-N -1 1 382.432 0.614 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccn(C)n2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571206649 953053563 /nfs/dbraw/zinc/05/35/63/953053563.db2.gz VVRIFNNUHWJUML-RYUDHWBXSA-N -1 1 382.432 0.743 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccn(C)n2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571206649 953053564 /nfs/dbraw/zinc/05/35/64/953053564.db2.gz VVRIFNNUHWJUML-RYUDHWBXSA-N -1 1 382.432 0.743 20 0 GCADMM CCN(C(=O)c1ccn(CC)n1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206670 953053755 /nfs/dbraw/zinc/05/37/55/953053755.db2.gz VYUNXEPMPQPZRA-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCN(C(=O)c1ccn(CC)n1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206670 953053758 /nfs/dbraw/zinc/05/37/58/953053758.db2.gz VYUNXEPMPQPZRA-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cn(C)cn2)CC1 ZINC001571206709 953053811 /nfs/dbraw/zinc/05/38/11/953053811.db2.gz WPLRYMWUDQWHNZ-UHFFFAOYSA-N -1 1 382.432 0.887 20 0 GCADMM CCC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cn(C)cn2)CC1 ZINC001571206709 953053815 /nfs/dbraw/zinc/05/38/15/953053815.db2.gz WPLRYMWUDQWHNZ-UHFFFAOYSA-N -1 1 382.432 0.887 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccn(C)n2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571206650 953054067 /nfs/dbraw/zinc/05/40/67/953054067.db2.gz VVRIFNNUHWJUML-VXGBXAGGSA-N -1 1 382.432 0.743 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccn(C)n2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571206650 953054070 /nfs/dbraw/zinc/05/40/70/953054070.db2.gz VVRIFNNUHWJUML-VXGBXAGGSA-N -1 1 382.432 0.743 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)c1C ZINC001571206708 953054099 /nfs/dbraw/zinc/05/40/99/953054099.db2.gz JPYVQTUQSAABGH-SKDRFNHKSA-N -1 1 382.432 0.784 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206886 953056837 /nfs/dbraw/zinc/05/68/37/953056837.db2.gz YONJCRUWXJKPCU-WDEREUQCSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206886 953056840 /nfs/dbraw/zinc/05/68/40/953056840.db2.gz YONJCRUWXJKPCU-WDEREUQCSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206882 953056923 /nfs/dbraw/zinc/05/69/23/953056923.db2.gz YONJCRUWXJKPCU-MNOVXSKESA-N -1 1 382.432 0.762 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206882 953056925 /nfs/dbraw/zinc/05/69/25/953056925.db2.gz YONJCRUWXJKPCU-MNOVXSKESA-N -1 1 382.432 0.762 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571206898 953057282 /nfs/dbraw/zinc/05/72/82/953057282.db2.gz SPQPJBYFBWFVRZ-HAQNSBGRSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571206898 953057286 /nfs/dbraw/zinc/05/72/86/953057286.db2.gz SPQPJBYFBWFVRZ-HAQNSBGRSA-N -1 1 382.432 0.981 20 0 GCADMM CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206998 953058512 /nfs/dbraw/zinc/05/85/12/953058512.db2.gz ZBUVFBAMDGKEFJ-ZWNOBZJWSA-N -1 1 382.432 0.444 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207111 953058884 /nfs/dbraw/zinc/05/88/84/953058884.db2.gz NGNMIWDLSPYNLN-LBPRGKRZSA-N -1 1 382.432 0.499 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207111 953058887 /nfs/dbraw/zinc/05/88/87/953058887.db2.gz NGNMIWDLSPYNLN-LBPRGKRZSA-N -1 1 382.432 0.499 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C)n1 ZINC001571207101 953058924 /nfs/dbraw/zinc/05/89/24/953058924.db2.gz NAICHXJTKMJXDL-QMTHXVAHSA-N -1 1 382.432 0.436 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C)n1 ZINC001571207101 953058927 /nfs/dbraw/zinc/05/89/27/953058927.db2.gz NAICHXJTKMJXDL-QMTHXVAHSA-N -1 1 382.432 0.436 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@H]2C)n1 ZINC001571207130 953059674 /nfs/dbraw/zinc/05/96/74/953059674.db2.gz NLVCPYAEAGRVIM-QMTHXVAHSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@H]2C)n1 ZINC001571207130 953059676 /nfs/dbraw/zinc/05/96/76/953059676.db2.gz NLVCPYAEAGRVIM-QMTHXVAHSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ccc(C(=O)N(C)C2CC(Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207177 953059928 /nfs/dbraw/zinc/05/99/28/953059928.db2.gz OKSCUTOCMYNUMD-UHFFFAOYSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1ccc(C(=O)N(C)C2CC(Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207177 953059932 /nfs/dbraw/zinc/05/99/32/953059932.db2.gz OKSCUTOCMYNUMD-UHFFFAOYSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1cc(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001571207144 953060234 /nfs/dbraw/zinc/06/02/34/953060234.db2.gz NTBVJPWMRFPSSL-CYBMUJFWSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1cc(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001571207144 953060236 /nfs/dbraw/zinc/06/02/36/953060236.db2.gz NTBVJPWMRFPSSL-CYBMUJFWSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1C ZINC001571207271 953060668 /nfs/dbraw/zinc/06/06/68/953060668.db2.gz PIWZUAOYOWZVJH-PWSUYJOCSA-N -1 1 382.432 0.319 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)c1C ZINC001571207269 953060733 /nfs/dbraw/zinc/06/07/33/953060733.db2.gz PIWZUAOYOWZVJH-CMPLNLGQSA-N -1 1 382.432 0.319 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571207206 953060961 /nfs/dbraw/zinc/06/09/61/953060961.db2.gz XCGCVQLRMPPKEV-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571207206 953060964 /nfs/dbraw/zinc/06/09/64/953060964.db2.gz XCGCVQLRMPPKEV-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571207236 953061032 /nfs/dbraw/zinc/06/10/32/953061032.db2.gz OUHSBNZFIRMBSO-RYUDHWBXSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1ccnc1C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207248 953061092 /nfs/dbraw/zinc/06/10/92/953061092.db2.gz OZSIDJPOSJXZRA-GFCCVEGCSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1ccnc1C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207248 953061094 /nfs/dbraw/zinc/06/10/94/953061094.db2.gz OZSIDJPOSJXZRA-GFCCVEGCSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1nccc1C(=O)NC1CC(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207231 953061106 /nfs/dbraw/zinc/06/11/06/953061106.db2.gz OSXSPPQZWWRQPO-UHFFFAOYSA-N -1 1 382.432 0.802 20 0 GCADMM CCn1nccc1C(=O)NC1CC(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207231 953061109 /nfs/dbraw/zinc/06/11/09/953061109.db2.gz OSXSPPQZWWRQPO-UHFFFAOYSA-N -1 1 382.432 0.802 20 0 GCADMM Cc1c[nH]nc1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571207256 953061118 /nfs/dbraw/zinc/06/11/18/953061118.db2.gz PBWWYKVVTKSVMT-GFCCVEGCSA-N -1 1 382.432 0.867 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001571207203 953061136 /nfs/dbraw/zinc/06/11/36/953061136.db2.gz WZGMBYIRDXUNNA-NWDGAFQWSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001571207203 953061141 /nfs/dbraw/zinc/06/11/41/953061141.db2.gz WZGMBYIRDXUNNA-NWDGAFQWSA-N -1 1 382.432 0.454 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1C ZINC001571207230 953061151 /nfs/dbraw/zinc/06/11/51/953061151.db2.gz OSVPFOPAJZUKDW-LBPRGKRZSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c1C ZINC001571207230 953061155 /nfs/dbraw/zinc/06/11/55/953061155.db2.gz OSVPFOPAJZUKDW-LBPRGKRZSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571207289 953061865 /nfs/dbraw/zinc/06/18/65/953061865.db2.gz PNTJWQYHOOOHDF-ZWNOBZJWSA-N -1 1 382.432 0.463 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571207358 953062799 /nfs/dbraw/zinc/06/27/99/953062799.db2.gz YLALVTOFRPFHBG-MZUWNQQASA-N -1 1 382.428 0.023 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571207358 953062802 /nfs/dbraw/zinc/06/28/02/953062802.db2.gz YLALVTOFRPFHBG-MZUWNQQASA-N -1 1 382.428 0.023 20 0 GCADMM O=C(C1=CCCC1)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571207363 953062833 /nfs/dbraw/zinc/06/28/33/953062833.db2.gz YQLJQWDLINZUJT-GOSISDBHSA-N -1 1 382.428 0.575 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571207416 953062960 /nfs/dbraw/zinc/06/29/60/953062960.db2.gz RFIFFSIPLIRTDJ-GFCCVEGCSA-N -1 1 382.432 0.376 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571207416 953062963 /nfs/dbraw/zinc/06/29/63/953062963.db2.gz RFIFFSIPLIRTDJ-GFCCVEGCSA-N -1 1 382.432 0.376 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571207493 953063967 /nfs/dbraw/zinc/06/39/67/953063967.db2.gz UNBUBPJYNAPXQJ-CABZTGNLSA-N -1 1 382.432 0.817 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207493 953063969 /nfs/dbraw/zinc/06/39/69/953063969.db2.gz UNBUBPJYNAPXQJ-CABZTGNLSA-N -1 1 382.432 0.817 20 0 GCADMM Cc1ncc(C(=O)N2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)n1C ZINC001571207538 953064505 /nfs/dbraw/zinc/06/45/05/953064505.db2.gz VYTBWNWXFIDBQN-UHFFFAOYSA-N -1 1 382.432 0.360 20 0 GCADMM Cc1ncc(C(=O)N2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)n1C ZINC001571207538 953064507 /nfs/dbraw/zinc/06/45/07/953064507.db2.gz VYTBWNWXFIDBQN-UHFFFAOYSA-N -1 1 382.432 0.360 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(NC(=O)c3ccn(C)n3)CC2)n1 ZINC001571207543 953064684 /nfs/dbraw/zinc/06/46/84/953064684.db2.gz WASKIIYBTWJDMS-UHFFFAOYSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(NC(=O)c3ccn(C)n3)CC2)n1 ZINC001571207543 953064686 /nfs/dbraw/zinc/06/46/86/953064686.db2.gz WASKIIYBTWJDMS-UHFFFAOYSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)c1C ZINC001571207667 953065022 /nfs/dbraw/zinc/06/50/22/953065022.db2.gz ZLBBWZUUUMLYPC-RYUDHWBXSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)c1C ZINC001571207667 953065025 /nfs/dbraw/zinc/06/50/25/953065025.db2.gz ZLBBWZUUUMLYPC-RYUDHWBXSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1C ZINC001571207668 953065213 /nfs/dbraw/zinc/06/52/13/953065213.db2.gz ZLBBWZUUUMLYPC-VXGBXAGGSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1C ZINC001571207668 953065216 /nfs/dbraw/zinc/06/52/16/953065216.db2.gz ZLBBWZUUUMLYPC-VXGBXAGGSA-N -1 1 382.432 0.784 20 0 GCADMM CCn1nc(C)c(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207607 953065409 /nfs/dbraw/zinc/06/54/09/953065409.db2.gz XUOZBLILNTWMGZ-LBPRGKRZSA-N -1 1 382.432 0.499 20 0 GCADMM CN(C[C@H]1CCN(C(=O)CCn2cccn2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571207680 953066219 /nfs/dbraw/zinc/06/62/19/953066219.db2.gz ZSCKXNZTSMDIBG-CYBMUJFWSA-N -1 1 382.432 0.228 20 0 GCADMM CN(C[C@H]1CCN(C(=O)CCn2cccn2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571207680 953066222 /nfs/dbraw/zinc/06/62/22/953066222.db2.gz ZSCKXNZTSMDIBG-CYBMUJFWSA-N -1 1 382.432 0.228 20 0 GCADMM Cn1nccc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571209910 953068915 /nfs/dbraw/zinc/06/89/15/953068915.db2.gz ILDDAWTXHRTEJE-HAQNSBGRSA-N -1 1 382.432 0.791 20 0 GCADMM Cn1nccc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571209910 953068920 /nfs/dbraw/zinc/06/89/20/953068920.db2.gz ILDDAWTXHRTEJE-HAQNSBGRSA-N -1 1 382.432 0.791 20 0 GCADMM O=C(Cc1ccsc1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571210031 953070771 /nfs/dbraw/zinc/07/07/71/953070771.db2.gz MBCFICKYQCFNEQ-GXTWGEPZSA-N -1 1 382.453 0.998 20 0 GCADMM O=C(Cc1ccsc1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571210031 953070775 /nfs/dbraw/zinc/07/07/75/953070775.db2.gz MBCFICKYQCFNEQ-GXTWGEPZSA-N -1 1 382.453 0.998 20 0 GCADMM Cn1cncc1C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571211406 953076768 /nfs/dbraw/zinc/07/67/68/953076768.db2.gz AADIWVUDHXXMRS-GFCCVEGCSA-N -1 1 382.432 0.887 20 0 GCADMM Cn1cncc1C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571211406 953076773 /nfs/dbraw/zinc/07/67/73/953076773.db2.gz AADIWVUDHXXMRS-GFCCVEGCSA-N -1 1 382.432 0.887 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@@](C)(CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571211429 953076783 /nfs/dbraw/zinc/07/67/83/953076783.db2.gz ALPXBMGZBAEXGQ-KRWDZBQOSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571211429 953076790 /nfs/dbraw/zinc/07/67/90/953076790.db2.gz ALPXBMGZBAEXGQ-KRWDZBQOSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211476 953077240 /nfs/dbraw/zinc/07/72/40/953077240.db2.gz BKLJESSMLJUSDS-LBPRGKRZSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211476 953077244 /nfs/dbraw/zinc/07/72/44/953077244.db2.gz BKLJESSMLJUSDS-LBPRGKRZSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1ncn(C)c1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571211620 953078472 /nfs/dbraw/zinc/07/84/72/953078472.db2.gz CTPDJBAJRSJATP-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1ncn(C)c1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571211620 953078476 /nfs/dbraw/zinc/07/84/76/953078476.db2.gz CTPDJBAJRSJATP-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cn1cncc1CC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211626 953078610 /nfs/dbraw/zinc/07/86/10/953078610.db2.gz CXMQRLBZEDTXBA-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1cc(C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n(C)n1 ZINC001571211614 953078830 /nfs/dbraw/zinc/07/88/30/953078830.db2.gz CORYKRMTPJPZOT-UHFFFAOYSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cc(C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n(C)n1 ZINC001571211614 953078834 /nfs/dbraw/zinc/07/88/34/953078834.db2.gz CORYKRMTPJPZOT-UHFFFAOYSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H](C)C2)n(C)n1 ZINC001571211667 953079273 /nfs/dbraw/zinc/07/92/73/953079273.db2.gz FDWVSSJDTJGUCH-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H](C)C2)n(C)n1 ZINC001571211667 953079278 /nfs/dbraw/zinc/07/92/78/953079278.db2.gz FDWVSSJDTJGUCH-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571211653 953079353 /nfs/dbraw/zinc/07/93/53/953079353.db2.gz DWWWQCYXRRXTFR-LBPRGKRZSA-N -1 1 382.432 0.500 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571211653 953079362 /nfs/dbraw/zinc/07/93/62/953079362.db2.gz DWWWQCYXRRXTFR-LBPRGKRZSA-N -1 1 382.432 0.500 20 0 GCADMM Cc1cn(C)nc1C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211831 953081175 /nfs/dbraw/zinc/08/11/75/953081175.db2.gz GSNBVXXJZIVOAH-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cn(C)nc1C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211831 953081178 /nfs/dbraw/zinc/08/11/78/953081178.db2.gz GSNBVXXJZIVOAH-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571212115 953083359 /nfs/dbraw/zinc/08/33/59/953083359.db2.gz JCVGGEACEYRLIU-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571212165 953084650 /nfs/dbraw/zinc/08/46/50/953084650.db2.gz KHSOWBXZBRXZCQ-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571212165 953084653 /nfs/dbraw/zinc/08/46/53/953084653.db2.gz KHSOWBXZBRXZCQ-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212142 953084767 /nfs/dbraw/zinc/08/47/67/953084767.db2.gz JROQYDOFCVIBMP-UHFFFAOYSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212142 953084772 /nfs/dbraw/zinc/08/47/72/953084772.db2.gz JROQYDOFCVIBMP-UHFFFAOYSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212341 953086656 /nfs/dbraw/zinc/08/66/56/953086656.db2.gz MBDMBYYUPXHRLE-IINYFYTJSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212341 953086660 /nfs/dbraw/zinc/08/66/60/953086660.db2.gz MBDMBYYUPXHRLE-IINYFYTJSA-N -1 1 382.432 0.200 20 0 GCADMM Cn1cncc1CC(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571212368 953087073 /nfs/dbraw/zinc/08/70/73/953087073.db2.gz MTINQMSYSKWAQE-RYUDHWBXSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1cncc1CC(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571212368 953087075 /nfs/dbraw/zinc/08/70/75/953087075.db2.gz MTINQMSYSKWAQE-RYUDHWBXSA-N -1 1 382.432 0.472 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1C(C)C ZINC001571212319 953087273 /nfs/dbraw/zinc/08/72/73/953087273.db2.gz LLZKZDZSCGJOPR-GFCCVEGCSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1C(C)C ZINC001571212319 953087277 /nfs/dbraw/zinc/08/72/77/953087277.db2.gz LLZKZDZSCGJOPR-GFCCVEGCSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)n1C ZINC001571212819 953090734 /nfs/dbraw/zinc/09/07/34/953090734.db2.gz PJMJPQSBGXWSFE-ZYHUDNBSSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)n1C ZINC001571212819 953090736 /nfs/dbraw/zinc/09/07/36/953090736.db2.gz PJMJPQSBGXWSFE-ZYHUDNBSSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(CC(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571212789 953090844 /nfs/dbraw/zinc/09/08/44/953090844.db2.gz PCOBZFFSBTYWHP-QWHCGFSZSA-N -1 1 382.432 0.368 20 0 GCADMM Cc1cnn(CC(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571212789 953090847 /nfs/dbraw/zinc/09/08/47/953090847.db2.gz PCOBZFFSBTYWHP-QWHCGFSZSA-N -1 1 382.432 0.368 20 0 GCADMM Cn1cc(CCC(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571212802 953090879 /nfs/dbraw/zinc/09/08/79/953090879.db2.gz PFBVJQNPMBYNKP-ZDUSSCGKSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1cc(CCC(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571212802 953090882 /nfs/dbraw/zinc/09/08/82/953090882.db2.gz PFBVJQNPMBYNKP-ZDUSSCGKSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1cc(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571213187 953093730 /nfs/dbraw/zinc/09/37/30/953093730.db2.gz RRTFLUQAQMUXFZ-CYBMUJFWSA-N -1 1 382.432 0.309 20 0 GCADMM Cn1cnc(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001571213409 953094005 /nfs/dbraw/zinc/09/40/05/953094005.db2.gz SCXLRSGOQRCZTL-GFCCVEGCSA-N -1 1 382.432 0.569 20 0 GCADMM Cn1cnc(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001571213409 953094009 /nfs/dbraw/zinc/09/40/09/953094009.db2.gz SCXLRSGOQRCZTL-GFCCVEGCSA-N -1 1 382.432 0.569 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)n1C ZINC001571213415 953094154 /nfs/dbraw/zinc/09/41/54/953094154.db2.gz SGIGMSHLCNGHAX-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)n1C ZINC001571213415 953094157 /nfs/dbraw/zinc/09/41/57/953094157.db2.gz SGIGMSHLCNGHAX-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)n1C ZINC001571213413 953094175 /nfs/dbraw/zinc/09/41/75/953094175.db2.gz SGIGMSHLCNGHAX-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)n1C ZINC001571213413 953094177 /nfs/dbraw/zinc/09/41/77/953094177.db2.gz SGIGMSHLCNGHAX-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cn1cncc1CC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571213502 953094919 /nfs/dbraw/zinc/09/49/19/953094919.db2.gz VDWNXULSDCUKGL-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1cncc1CC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571213502 953094923 /nfs/dbraw/zinc/09/49/23/953094923.db2.gz VDWNXULSDCUKGL-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571213448 953095040 /nfs/dbraw/zinc/09/50/40/953095040.db2.gz TYTBNQLPWRSYNP-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571213448 953095045 /nfs/dbraw/zinc/09/50/45/953095045.db2.gz TYTBNQLPWRSYNP-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1ncc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)n1C ZINC001571213450 953095289 /nfs/dbraw/zinc/09/52/89/953095289.db2.gz TZJKQQIFRKUSNZ-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1ncc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)n1C ZINC001571213450 953095293 /nfs/dbraw/zinc/09/52/93/953095293.db2.gz TZJKQQIFRKUSNZ-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571213456 953095619 /nfs/dbraw/zinc/09/56/19/953095619.db2.gz UHZBIQJTBFVVPT-LLVKDONJSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571213456 953095623 /nfs/dbraw/zinc/09/56/23/953095623.db2.gz UHZBIQJTBFVVPT-LLVKDONJSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571213433 953095656 /nfs/dbraw/zinc/09/56/56/953095656.db2.gz SWBZRIIIPZKHKN-CMPLNLGQSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571213433 953095659 /nfs/dbraw/zinc/09/56/59/953095659.db2.gz SWBZRIIIPZKHKN-CMPLNLGQSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(C)c1C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571213453 953095865 /nfs/dbraw/zinc/09/58/65/953095865.db2.gz UCZBRLGJIJIHQV-GFCCVEGCSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1cnn(C)c1C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571213453 953095868 /nfs/dbraw/zinc/09/58/68/953095868.db2.gz UCZBRLGJIJIHQV-GFCCVEGCSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571213769 953097764 /nfs/dbraw/zinc/09/77/64/953097764.db2.gz VMCBJKBGLWFBQA-RYUDHWBXSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571213769 953097767 /nfs/dbraw/zinc/09/77/67/953097767.db2.gz VMCBJKBGLWFBQA-RYUDHWBXSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571214107 953099229 /nfs/dbraw/zinc/09/92/29/953099229.db2.gz YGEAYJFTESAKEU-HAQNSBGRSA-N -1 1 382.432 0.309 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571214107 953099233 /nfs/dbraw/zinc/09/92/33/953099233.db2.gz YGEAYJFTESAKEU-HAQNSBGRSA-N -1 1 382.432 0.309 20 0 GCADMM Cc1ccnn1CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571214130 953099794 /nfs/dbraw/zinc/09/97/94/953099794.db2.gz YJMRMKVSAUMSTP-GFCCVEGCSA-N -1 1 382.432 0.193 20 0 GCADMM C[C@H]1C[C@H](NC(=O)c2ncccc2F)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571217417 953108057 /nfs/dbraw/zinc/10/80/57/953108057.db2.gz LHDZZEXUAYUGJI-WDEREUQCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1C[C@H](NC(=O)c2ncccc2F)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571217417 953108061 /nfs/dbraw/zinc/10/80/61/953108061.db2.gz LHDZZEXUAYUGJI-WDEREUQCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)c2cncc(F)c2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571217601 953109386 /nfs/dbraw/zinc/10/93/86/953109386.db2.gz OKGOPHFUKDWMCX-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)c2cncc(F)c2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571217601 953109388 /nfs/dbraw/zinc/10/93/88/953109388.db2.gz OKGOPHFUKDWMCX-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)co1 ZINC001571217572 953109555 /nfs/dbraw/zinc/10/95/55/953109555.db2.gz NXDWSEZMRILVOW-JTQLQIEISA-N -1 1 383.372 0.065 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)co1 ZINC001571217572 953109561 /nfs/dbraw/zinc/10/95/61/953109561.db2.gz NXDWSEZMRILVOW-JTQLQIEISA-N -1 1 383.372 0.065 20 0 GCADMM CCOC(=O)[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H](O)c1ccncc1 ZINC001571217634 953109861 /nfs/dbraw/zinc/10/98/61/953109861.db2.gz GOLQEUDJOWTKHQ-KGLIPLIRSA-N -1 1 383.368 0.052 20 0 GCADMM CCOC(=O)[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H](O)c1ccncc1 ZINC001571217634 953109864 /nfs/dbraw/zinc/10/98/64/953109864.db2.gz GOLQEUDJOWTKHQ-KGLIPLIRSA-N -1 1 383.368 0.052 20 0 GCADMM C[C@@H](C(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001571217640 953109985 /nfs/dbraw/zinc/10/99/85/953109985.db2.gz GQPSZRUKIOYSPL-FVMDXXJSSA-N -1 1 383.372 0.613 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H](O)c1ccncc1 ZINC001571217633 953110003 /nfs/dbraw/zinc/11/00/03/953110003.db2.gz GOLQEUDJOWTKHQ-KBPBESRZSA-N -1 1 383.368 0.052 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H](O)c1ccncc1 ZINC001571217633 953110006 /nfs/dbraw/zinc/11/00/06/953110006.db2.gz GOLQEUDJOWTKHQ-KBPBESRZSA-N -1 1 383.368 0.052 20 0 GCADMM CN(C(=O)Cc1ccc(F)cn1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571217848 953111195 /nfs/dbraw/zinc/11/11/95/953111195.db2.gz QFXJOIGVSBNWAO-ZDUSSCGKSA-N -1 1 383.391 0.471 20 0 GCADMM CN(C(=O)Cc1ccc(F)cn1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571217848 953111196 /nfs/dbraw/zinc/11/11/96/953111196.db2.gz QFXJOIGVSBNWAO-ZDUSSCGKSA-N -1 1 383.391 0.471 20 0 GCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571218546 953116186 /nfs/dbraw/zinc/11/61/86/953116186.db2.gz AXFCZAIIUIDGPD-XWIASGKRSA-N -1 1 383.405 0.396 20 0 GCADMM O=C([C@@H]1CCC(=O)N1)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571218785 953118729 /nfs/dbraw/zinc/11/87/29/953118729.db2.gz RDWFQLSMJKDGRO-BQBZGAKWSA-N -1 1 382.837 0.268 20 0 GCADMM O=C([C@@H]1CCC(=O)N1)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571218785 953118731 /nfs/dbraw/zinc/11/87/31/953118731.db2.gz RDWFQLSMJKDGRO-BQBZGAKWSA-N -1 1 382.837 0.268 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571218933 953120978 /nfs/dbraw/zinc/12/09/78/953120978.db2.gz HKCHQWBJVLEVAX-QGZVFWFLSA-N -1 1 383.391 0.867 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1coc(C(N)=O)c1 ZINC001571219333 953125216 /nfs/dbraw/zinc/12/52/16/953125216.db2.gz XOFQGWQHTIGXBL-SCZZXKLOSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1coc(C(N)=O)c1 ZINC001571219333 953125221 /nfs/dbraw/zinc/12/52/21/953125221.db2.gz XOFQGWQHTIGXBL-SCZZXKLOSA-N -1 1 383.372 0.064 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cncc(F)c3)[C@H]2C)n1 ZINC001571219464 953125571 /nfs/dbraw/zinc/12/55/71/953125571.db2.gz OUDNHCISWNQZJN-MFKMUULPSA-N -1 1 383.391 0.896 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cncc(F)c3)[C@H]2C)n1 ZINC001571219464 953125574 /nfs/dbraw/zinc/12/55/74/953125574.db2.gz OUDNHCISWNQZJN-MFKMUULPSA-N -1 1 383.391 0.896 20 0 GCADMM O=C(Cc1ncccc1F)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571219494 953125916 /nfs/dbraw/zinc/12/59/16/953125916.db2.gz PDNBNXGNWFONCP-NSHDSACASA-N -1 1 383.391 0.836 20 0 GCADMM O=C(Cc1ncccc1F)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571219494 953125919 /nfs/dbraw/zinc/12/59/19/953125919.db2.gz PDNBNXGNWFONCP-NSHDSACASA-N -1 1 383.391 0.836 20 0 GCADMM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571220003 953128115 /nfs/dbraw/zinc/12/81/15/953128115.db2.gz WURPFJSNDRRBJE-SECBINFHSA-N -1 1 383.409 0.088 20 0 GCADMM CCCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001571222094 953130551 /nfs/dbraw/zinc/13/05/51/953130551.db2.gz CCLRRYHWMLBQAY-ZWNOBZJWSA-N -1 1 383.416 0.592 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001571222072 953130929 /nfs/dbraw/zinc/13/09/29/953130929.db2.gz BEJZHYBSEDOPQL-WCQYABFASA-N -1 1 383.416 0.348 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571222111 953131175 /nfs/dbraw/zinc/13/11/75/953131175.db2.gz CLZLQUKTRVHSOG-WCQYABFASA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571222111 953131177 /nfs/dbraw/zinc/13/11/77/953131177.db2.gz CLZLQUKTRVHSOG-WCQYABFASA-N -1 1 383.416 0.784 20 0 GCADMM CCc1nc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571222115 953131658 /nfs/dbraw/zinc/13/16/58/953131658.db2.gz CNQUUGDYEBXKLW-LLVKDONJSA-N -1 1 383.416 0.866 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2CNC(=O)c2cc[nH]c2)n1 ZINC001571222150 953131751 /nfs/dbraw/zinc/13/17/51/953131751.db2.gz DDLOTDLNNNULSW-LBPRGKRZSA-N -1 1 383.416 0.182 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2CNC(=O)c2cc[nH]c2)n1 ZINC001571222150 953131752 /nfs/dbraw/zinc/13/17/52/953131752.db2.gz DDLOTDLNNNULSW-LBPRGKRZSA-N -1 1 383.416 0.182 20 0 GCADMM CCc1nc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571222116 953131815 /nfs/dbraw/zinc/13/18/15/953131815.db2.gz CNQUUGDYEBXKLW-NSHDSACASA-N -1 1 383.416 0.866 20 0 GCADMM CCCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571222370 953134103 /nfs/dbraw/zinc/13/41/03/953134103.db2.gz GXJPPJSKDUOTIK-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571222370 953134106 /nfs/dbraw/zinc/13/41/06/953134106.db2.gz GXJPPJSKDUOTIK-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ncoc1C(=O)N(CC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222490 953134763 /nfs/dbraw/zinc/13/47/63/953134763.db2.gz GNWVKJROEIZABT-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1ncoc1C(=O)N(CC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222490 953134766 /nfs/dbraw/zinc/13/47/66/953134766.db2.gz GNWVKJROEIZABT-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222707 953137989 /nfs/dbraw/zinc/13/79/89/953137989.db2.gz JSCZDAHFADOTIN-KRWDZBQOSA-N -1 1 383.416 0.593 20 0 GCADMM CCc1nc(C(=O)N(CC)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571222889 953139449 /nfs/dbraw/zinc/13/94/49/953139449.db2.gz MUBWAGYDKKDWRQ-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N(CC)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571222889 953139450 /nfs/dbraw/zinc/13/94/50/953139450.db2.gz MUBWAGYDKKDWRQ-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571222902 953139514 /nfs/dbraw/zinc/13/95/14/953139514.db2.gz NBKZTCZQNMALEM-WDEREUQCSA-N -1 1 383.416 0.449 20 0 GCADMM CCc1ocnc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571222868 953139705 /nfs/dbraw/zinc/13/97/05/953139705.db2.gz NDOMSHUUWPBYBT-LLVKDONJSA-N -1 1 383.416 0.592 20 0 GCADMM CCc1nc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571222900 953139977 /nfs/dbraw/zinc/13/99/77/953139977.db2.gz NBKZTCZQNMALEM-MNOVXSKESA-N -1 1 383.416 0.449 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222956 953140389 /nfs/dbraw/zinc/14/03/89/953140389.db2.gz OFJRVSGVJWPHGS-NSHDSACASA-N -1 1 383.416 0.593 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)CCc1ccon1)c1cncc(-c2nnn[n-]2)n1 ZINC001571222919 953140415 /nfs/dbraw/zinc/14/04/15/953140415.db2.gz NLSROSSPMYCUKL-ZDUSSCGKSA-N -1 1 383.416 0.705 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)CCc1ccon1)c1cncc(-c2nn[n-]n2)n1 ZINC001571222919 953140416 /nfs/dbraw/zinc/14/04/16/953140416.db2.gz NLSROSSPMYCUKL-ZDUSSCGKSA-N -1 1 383.416 0.705 20 0 GCADMM CCc1ncoc1C(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571223050 953141201 /nfs/dbraw/zinc/14/12/01/953141201.db2.gz PNSSWHIHCMEILY-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM CCc1ncoc1C(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571223050 953141202 /nfs/dbraw/zinc/14/12/02/953141202.db2.gz PNSSWHIHCMEILY-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccon2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571223368 953143410 /nfs/dbraw/zinc/14/34/10/953143410.db2.gz QEWZENSYAGYMJL-AAEUAGOBSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccon2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571223368 953143414 /nfs/dbraw/zinc/14/34/14/953143414.db2.gz QEWZENSYAGYMJL-AAEUAGOBSA-N -1 1 383.416 0.926 20 0 GCADMM CCc1oncc1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571223265 953143479 /nfs/dbraw/zinc/14/34/79/953143479.db2.gz RYDOZIOAIAIJBV-UHFFFAOYSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1oncc1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571223265 953143481 /nfs/dbraw/zinc/14/34/81/953143481.db2.gz RYDOZIOAIAIJBV-UHFFFAOYSA-N -1 1 383.416 0.996 20 0 GCADMM Cc1cccc([C@H](C)CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001571223403 953144539 /nfs/dbraw/zinc/14/45/39/953144539.db2.gz QTOYNPTWDRZWFF-GFCCVEGCSA-N -1 1 383.412 0.747 20 0 GCADMM CC[C@H](C)NC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001571223432 953144626 /nfs/dbraw/zinc/14/46/26/953144626.db2.gz RBVHWYBHHDFORI-NSHDSACASA-N -1 1 383.416 0.303 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cc3cnoc3)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571223532 953145429 /nfs/dbraw/zinc/14/54/29/953145429.db2.gz UIXIJHREPALKOB-ZYHUDNBSSA-N -1 1 383.416 0.851 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cc3cnoc3)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571223532 953145431 /nfs/dbraw/zinc/14/54/31/953145431.db2.gz UIXIJHREPALKOB-ZYHUDNBSSA-N -1 1 383.416 0.851 20 0 GCADMM CCc1nc(C)c(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571223819 953146722 /nfs/dbraw/zinc/14/67/22/953146722.db2.gz XUFYQUBCXMCKJX-NSHDSACASA-N -1 1 383.416 0.654 20 0 GCADMM CCc1oncc1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571223842 953146766 /nfs/dbraw/zinc/14/67/66/953146766.db2.gz YGRXQKGDDXQCMQ-UHFFFAOYSA-N -1 1 383.416 0.736 20 0 GCADMM CCc1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)co1 ZINC001571223794 953146781 /nfs/dbraw/zinc/14/67/81/953146781.db2.gz VQLVUTTUUOMVKR-QWRGUYRKSA-N -1 1 383.416 0.734 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571223776 953147152 /nfs/dbraw/zinc/14/71/52/953147152.db2.gz VGTCEUKLRYMQIC-MNOVXSKESA-N -1 1 383.416 0.782 20 0 GCADMM CCc1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)co1 ZINC001571223795 953147218 /nfs/dbraw/zinc/14/72/18/953147218.db2.gz VQLVUTTUUOMVKR-WDEREUQCSA-N -1 1 383.416 0.734 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571223884 953147868 /nfs/dbraw/zinc/14/78/68/953147868.db2.gz ZIKZNSYTUMXCJK-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571223884 953147870 /nfs/dbraw/zinc/14/78/70/953147870.db2.gz ZIKZNSYTUMXCJK-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM Cc1ncc(CC(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571224727 953150679 /nfs/dbraw/zinc/15/06/79/953150679.db2.gz FBGCQFIGXFALQY-LBPRGKRZSA-N -1 1 383.416 0.541 20 0 GCADMM Cc1ncc(CC(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571224727 953150681 /nfs/dbraw/zinc/15/06/81/953150681.db2.gz FBGCQFIGXFALQY-LBPRGKRZSA-N -1 1 383.416 0.541 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571225183 953152270 /nfs/dbraw/zinc/15/22/70/953152270.db2.gz IGTNSBGDOXMHQY-CABZTGNLSA-N -1 1 383.416 0.906 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571225183 953152271 /nfs/dbraw/zinc/15/22/71/953152271.db2.gz IGTNSBGDOXMHQY-CABZTGNLSA-N -1 1 383.416 0.906 20 0 GCADMM Cc1conc1C(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571225148 953152294 /nfs/dbraw/zinc/15/22/94/953152294.db2.gz HVKXAXCSHLPUFQ-RYUDHWBXSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1conc1C(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571225148 953152295 /nfs/dbraw/zinc/15/22/95/953152295.db2.gz HVKXAXCSHLPUFQ-RYUDHWBXSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(C)c(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)[nH]1 ZINC001571225273 953152962 /nfs/dbraw/zinc/15/29/62/953152962.db2.gz IZGSSMNFQKFEES-LBPRGKRZSA-N -1 1 383.416 0.237 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H]([C@@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571225653 953153420 /nfs/dbraw/zinc/15/34/20/953153420.db2.gz MMXYASSJDDEANV-NEPJUHHUSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H]([C@@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571225653 953153424 /nfs/dbraw/zinc/15/34/24/953153424.db2.gz MMXYASSJDDEANV-NEPJUHHUSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001571225914 953154166 /nfs/dbraw/zinc/15/41/66/953154166.db2.gz OEYOBCRTRYRNBK-GFCCVEGCSA-N -1 1 383.416 0.268 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)no1 ZINC001571225944 953154248 /nfs/dbraw/zinc/15/42/48/953154248.db2.gz OXEGDXVHELEGQO-MFKMUULPSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)no1 ZINC001571225944 953154251 /nfs/dbraw/zinc/15/42/51/953154251.db2.gz OXEGDXVHELEGQO-MFKMUULPSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1nc(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571225674 953154477 /nfs/dbraw/zinc/15/44/77/953154477.db2.gz NGMNHWHYIZQMOS-JOYOIKCWSA-N -1 1 383.416 0.504 20 0 GCADMM Cc1ncc(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)o1 ZINC001571226400 953155468 /nfs/dbraw/zinc/15/54/68/953155468.db2.gz PVLVZJCPLPWCAZ-CYBMUJFWSA-N -1 1 383.416 0.527 20 0 GCADMM Cc1ncc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)o1 ZINC001571226400 953155469 /nfs/dbraw/zinc/15/54/69/953155469.db2.gz PVLVZJCPLPWCAZ-CYBMUJFWSA-N -1 1 383.416 0.527 20 0 GCADMM Cc1noc(C)c1CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571226482 953155848 /nfs/dbraw/zinc/15/58/48/953155848.db2.gz SAHFRCWVFNUNTF-UHFFFAOYSA-N -1 1 383.416 0.543 20 0 GCADMM Cc1noc(C)c1CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571226482 953155850 /nfs/dbraw/zinc/15/58/50/953155850.db2.gz SAHFRCWVFNUNTF-UHFFFAOYSA-N -1 1 383.416 0.543 20 0 GCADMM Cc1cc(CCC(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571226493 953156152 /nfs/dbraw/zinc/15/61/52/953156152.db2.gz SFEZFMIFQZWUDE-ZDUSSCGKSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1cc(CCC(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571226493 953156156 /nfs/dbraw/zinc/15/61/56/953156156.db2.gz SFEZFMIFQZWUDE-ZDUSSCGKSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1ncc(CC(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571226979 953157530 /nfs/dbraw/zinc/15/75/30/953157530.db2.gz YGJFXTBPOWYYJQ-NEPJUHHUSA-N -1 1 383.416 0.457 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571226968 953157551 /nfs/dbraw/zinc/15/75/51/953157551.db2.gz YBOWCQHJPFMDLX-NOZJJQNGSA-N -1 1 383.416 0.763 20 0 GCADMM Cc1noc(C)c1CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571226968 953157554 /nfs/dbraw/zinc/15/75/54/953157554.db2.gz YBOWCQHJPFMDLX-NOZJJQNGSA-N -1 1 383.416 0.763 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571227111 953158103 /nfs/dbraw/zinc/15/81/03/953158103.db2.gz YYDTWKRPPDUQBP-LBPRGKRZSA-N -1 1 383.416 0.481 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571227111 953158105 /nfs/dbraw/zinc/15/81/05/953158105.db2.gz YYDTWKRPPDUQBP-LBPRGKRZSA-N -1 1 383.416 0.481 20 0 GCADMM Cc1nc(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c(C)o1 ZINC001571227146 953158172 /nfs/dbraw/zinc/15/81/72/953158172.db2.gz ZRCRYNWZLYEVQA-UHFFFAOYSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1nc(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c(C)o1 ZINC001571227146 953158175 /nfs/dbraw/zinc/15/81/75/953158175.db2.gz ZRCRYNWZLYEVQA-UHFFFAOYSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1cnoc1C(=O)N[C@@H](C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571227103 953158279 /nfs/dbraw/zinc/15/82/79/953158279.db2.gz YPKLOYGLPWQGMC-RYUDHWBXSA-N -1 1 383.416 0.988 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001571227740 953159263 /nfs/dbraw/zinc/15/92/63/953159263.db2.gz AZCVFMZANZFMPX-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001571227740 953159265 /nfs/dbraw/zinc/15/92/65/953159265.db2.gz AZCVFMZANZFMPX-NWDGAFQWSA-N -1 1 383.420 0.160 20 0 GCADMM CCn1nc(C)c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571227826 953159637 /nfs/dbraw/zinc/15/96/37/953159637.db2.gz CPSSJTMGLFBGMO-XYPYZODXSA-N -1 1 383.420 0.197 20 0 GCADMM CCn1nc(C)c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571227826 953159641 /nfs/dbraw/zinc/15/96/41/953159641.db2.gz CPSSJTMGLFBGMO-XYPYZODXSA-N -1 1 383.420 0.197 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)nn1 ZINC001571228028 953160483 /nfs/dbraw/zinc/16/04/83/953160483.db2.gz GPVOMYLHACOOHJ-NSHDSACASA-N -1 1 383.420 0.231 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)nn1 ZINC001571228028 953160486 /nfs/dbraw/zinc/16/04/86/953160486.db2.gz GPVOMYLHACOOHJ-NSHDSACASA-N -1 1 383.420 0.231 20 0 GCADMM CCCn1cc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571227980 953160511 /nfs/dbraw/zinc/16/05/11/953160511.db2.gz FRIUNGLSTXDCTK-UHFFFAOYSA-N -1 1 383.420 0.279 20 0 GCADMM CCCn1cc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571227980 953160515 /nfs/dbraw/zinc/16/05/15/953160515.db2.gz FRIUNGLSTXDCTK-UHFFFAOYSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)nn1 ZINC001571228171 953162316 /nfs/dbraw/zinc/16/23/16/953162316.db2.gz JXQLLXGFMDONCJ-WDEREUQCSA-N -1 1 383.420 0.231 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)nn1 ZINC001571228171 953162320 /nfs/dbraw/zinc/16/23/20/953162320.db2.gz JXQLLXGFMDONCJ-WDEREUQCSA-N -1 1 383.420 0.231 20 0 GCADMM CCN(C(=O)c1cnnn1CC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228231 953162968 /nfs/dbraw/zinc/16/29/68/953162968.db2.gz LKSYOKQOZRODPS-LLVKDONJSA-N -1 1 383.420 0.009 20 0 GCADMM CCN(C(=O)c1cnnn1CC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228231 953162970 /nfs/dbraw/zinc/16/29/70/953162970.db2.gz LKSYOKQOZRODPS-LLVKDONJSA-N -1 1 383.420 0.009 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001571228221 953163179 /nfs/dbraw/zinc/16/31/79/953163179.db2.gz LCILAVROQMESFE-NWDGAFQWSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001571228221 953163180 /nfs/dbraw/zinc/16/31/80/953163180.db2.gz LCILAVROQMESFE-NWDGAFQWSA-N -1 1 383.420 0.302 20 0 GCADMM Cc1ocnc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571228328 953164031 /nfs/dbraw/zinc/16/40/31/953164031.db2.gz NATAZWHEAYXUQZ-LBPRGKRZSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ocnc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571228328 953164034 /nfs/dbraw/zinc/16/40/34/953164034.db2.gz NATAZWHEAYXUQZ-LBPRGKRZSA-N -1 1 383.416 0.988 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571228548 953165045 /nfs/dbraw/zinc/16/50/45/953165045.db2.gz RFIZLQWBDSLOHY-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228548 953165048 /nfs/dbraw/zinc/16/50/48/953165048.db2.gz RFIZLQWBDSLOHY-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001571228618 953165829 /nfs/dbraw/zinc/16/58/29/953165829.db2.gz UFUZUKDSLBODOZ-MNOVXSKESA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571228631 953166244 /nfs/dbraw/zinc/16/62/44/953166244.db2.gz UJTMLQCOIIHKGN-MNOVXSKESA-N -1 1 383.420 0.279 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571228631 953166247 /nfs/dbraw/zinc/16/62/47/953166247.db2.gz UJTMLQCOIIHKGN-MNOVXSKESA-N -1 1 383.420 0.279 20 0 GCADMM CCn1cc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001571228793 953166761 /nfs/dbraw/zinc/16/67/61/953166761.db2.gz VOSQRFUJANRTOG-LLVKDONJSA-N -1 1 383.420 0.375 20 0 GCADMM CCn1cc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001571228793 953166767 /nfs/dbraw/zinc/16/67/67/953166767.db2.gz VOSQRFUJANRTOG-LLVKDONJSA-N -1 1 383.420 0.375 20 0 GCADMM CN(CCC1CCN(C(=O)c2cn[nH]n2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571228821 953166814 /nfs/dbraw/zinc/16/68/14/953166814.db2.gz VZENOVSNSAVWHK-UHFFFAOYSA-N -1 1 383.420 0.154 20 0 GCADMM CCn1nc(C)c(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571228831 953167106 /nfs/dbraw/zinc/16/71/06/953167106.db2.gz WFPUTAWHWGIMHX-LLVKDONJSA-N -1 1 383.420 0.293 20 0 GCADMM CCn1nc(C)c(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571228831 953167107 /nfs/dbraw/zinc/16/71/07/953167107.db2.gz WFPUTAWHWGIMHX-LLVKDONJSA-N -1 1 383.420 0.293 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001571229018 953167765 /nfs/dbraw/zinc/16/77/65/953167765.db2.gz YHQWHNBCFLPWKF-ZBEGNZNMSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001571229018 953167768 /nfs/dbraw/zinc/16/77/68/953167768.db2.gz YHQWHNBCFLPWKF-ZBEGNZNMSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571229069 953167773 /nfs/dbraw/zinc/16/77/73/953167773.db2.gz ZGIFMNHRJSOLRY-MNOVXSKESA-N -1 1 383.420 0.057 20 0 GCADMM CCn1ncc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571228875 953168027 /nfs/dbraw/zinc/16/80/27/953168027.db2.gz XIOCCHQVAWGZTO-WDEREUQCSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1ncc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571228875 953168029 /nfs/dbraw/zinc/16/80/29/953168029.db2.gz XIOCCHQVAWGZTO-WDEREUQCSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571229095 953168267 /nfs/dbraw/zinc/16/82/67/953168267.db2.gz ZYCRKKKMFKHXIR-QWRGUYRKSA-N -1 1 383.420 0.088 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571229095 953168269 /nfs/dbraw/zinc/16/82/69/953168269.db2.gz ZYCRKKKMFKHXIR-QWRGUYRKSA-N -1 1 383.420 0.088 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)c2cnn(C)n2)n1 ZINC001571229380 953169243 /nfs/dbraw/zinc/16/92/43/953169243.db2.gz DDCKWQNYPNTRRW-LLVKDONJSA-N -1 1 383.420 0.200 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)c2cnn(C)n2)n1 ZINC001571229380 953169245 /nfs/dbraw/zinc/16/92/45/953169245.db2.gz DDCKWQNYPNTRRW-LLVKDONJSA-N -1 1 383.420 0.200 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571229745 953171697 /nfs/dbraw/zinc/17/16/97/953171697.db2.gz LYEXHJXYCNRPBW-VIFPVBQESA-N -1 1 383.420 0.118 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571229745 953171699 /nfs/dbraw/zinc/17/16/99/953171699.db2.gz LYEXHJXYCNRPBW-VIFPVBQESA-N -1 1 383.420 0.118 20 0 GCADMM Cc1n[nH]nc1C(=O)N(C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571229774 953172404 /nfs/dbraw/zinc/17/24/04/953172404.db2.gz MTOSBEOVUHXWIW-UHFFFAOYSA-N -1 1 383.420 0.579 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(C)(Nc3nccnc3-c3nnn[n-]3)CC2)[nH]1 ZINC001571229987 953173093 /nfs/dbraw/zinc/17/30/93/953173093.db2.gz QHICUXNKHKCOPK-UHFFFAOYSA-N -1 1 383.420 0.119 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(C)(Nc3nccnc3-c3nn[n-]n3)CC2)[nH]1 ZINC001571229987 953173095 /nfs/dbraw/zinc/17/30/95/953173095.db2.gz QHICUXNKHKCOPK-UHFFFAOYSA-N -1 1 383.420 0.119 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@@H]2NC(=O)c2cnnn2C)n1 ZINC001571230172 953174579 /nfs/dbraw/zinc/17/45/79/953174579.db2.gz SYWUVJFWMBJSNE-QWRGUYRKSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@@H]2NC(=O)c2cnnn2C)n1 ZINC001571230172 953174581 /nfs/dbraw/zinc/17/45/81/953174581.db2.gz SYWUVJFWMBJSNE-QWRGUYRKSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3cnnn3C)CC2(C)C)n1 ZINC001571230342 953176100 /nfs/dbraw/zinc/17/61/00/953176100.db2.gz VUFXTGQMPKNKLH-GFCCVEGCSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3cnnn3C)CC2(C)C)n1 ZINC001571230342 953176102 /nfs/dbraw/zinc/17/61/02/953176102.db2.gz VUFXTGQMPKNKLH-GFCCVEGCSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1nc(CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)cs1 ZINC001571230463 953177605 /nfs/dbraw/zinc/17/76/05/953177605.db2.gz DPCQVUOKGDJTTP-YABSGUDNSA-N -1 1 383.441 0.215 20 0 GCADMM O=C(c1scnc1C1CC1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571230632 953178683 /nfs/dbraw/zinc/17/86/83/953178683.db2.gz HPKVPDOSWSHVCE-UHFFFAOYSA-N -1 1 383.441 0.953 20 0 GCADMM O=C(c1scnc1C1CC1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571230632 953178686 /nfs/dbraw/zinc/17/86/86/953178686.db2.gz HPKVPDOSWSHVCE-UHFFFAOYSA-N -1 1 383.441 0.953 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571230630 953178739 /nfs/dbraw/zinc/17/87/39/953178739.db2.gz YZFLRHQLEGZHGS-NSHDSACASA-N -1 1 383.420 0.181 20 0 GCADMM O=C(c1cscn1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571230855 953181019 /nfs/dbraw/zinc/18/10/19/953181019.db2.gz LYJGHZKNZQJMJV-CHWSQXEVSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1cscn1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571230855 953181020 /nfs/dbraw/zinc/18/10/20/953181020.db2.gz LYJGHZKNZQJMJV-CHWSQXEVSA-N -1 1 383.441 0.997 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cscn2)n1 ZINC001571231239 953184168 /nfs/dbraw/zinc/18/41/68/953184168.db2.gz VYGCZAZLBSREKL-QRJZZWFUSA-N -1 1 383.441 0.540 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cscn2)n1 ZINC001571231239 953184169 /nfs/dbraw/zinc/18/41/69/953184169.db2.gz VYGCZAZLBSREKL-QRJZZWFUSA-N -1 1 383.441 0.540 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001571234776 953205325 /nfs/dbraw/zinc/20/53/25/953205325.db2.gz INARRFZGPQNCPV-XPTSAGLGSA-N -1 1 384.366 0.928 20 0 GCADMM NC(=O)[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC001571235368 953212440 /nfs/dbraw/zinc/21/24/40/953212440.db2.gz BLMSFLVTMBELPL-NSHDSACASA-N -1 1 384.375 0.867 20 0 GCADMM NC(=O)[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC001571235368 953212446 /nfs/dbraw/zinc/21/24/46/953212446.db2.gz BLMSFLVTMBELPL-NSHDSACASA-N -1 1 384.375 0.867 20 0 GCADMM COCc1ccc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571235480 953213230 /nfs/dbraw/zinc/21/32/30/953213230.db2.gz GEXQILUHVYWWRW-NSHDSACASA-N -1 1 384.400 0.652 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571235833 953215453 /nfs/dbraw/zinc/21/54/53/953215453.db2.gz PVCHHOYIIHMQNQ-VXGBXAGGSA-N -1 1 384.379 0.402 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571235833 953215454 /nfs/dbraw/zinc/21/54/54/953215454.db2.gz PVCHHOYIIHMQNQ-VXGBXAGGSA-N -1 1 384.379 0.402 20 0 GCADMM O=C(COc1ccc(F)cc1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571236416 953218223 /nfs/dbraw/zinc/21/82/23/953218223.db2.gz ZJIOWROMARRMSY-GFCCVEGCSA-N -1 1 384.375 0.888 20 0 GCADMM O=C(COc1ccc(F)cc1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571236416 953218225 /nfs/dbraw/zinc/21/82/25/953218225.db2.gz ZJIOWROMARRMSY-GFCCVEGCSA-N -1 1 384.375 0.888 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571237025 953219591 /nfs/dbraw/zinc/21/95/91/953219591.db2.gz FKPWVZFOPHVZSH-SKDRFNHKSA-N -1 1 384.404 0.351 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571237025 953219594 /nfs/dbraw/zinc/21/95/94/953219594.db2.gz FKPWVZFOPHVZSH-SKDRFNHKSA-N -1 1 384.404 0.351 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)[nH]n1 ZINC001571237023 953219908 /nfs/dbraw/zinc/21/99/08/953219908.db2.gz FKPWVZFOPHVZSH-CABZTGNLSA-N -1 1 384.404 0.351 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)[nH]n1 ZINC001571237023 953219912 /nfs/dbraw/zinc/21/99/12/953219912.db2.gz FKPWVZFOPHVZSH-CABZTGNLSA-N -1 1 384.404 0.351 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)C1=COCCO1 ZINC001571237661 953221861 /nfs/dbraw/zinc/22/18/61/953221861.db2.gz KZZHMDKNANYMGT-TUAOUCFPSA-N -1 1 384.400 0.018 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)C1=COCCO1 ZINC001571237661 953221864 /nfs/dbraw/zinc/22/18/64/953221864.db2.gz KZZHMDKNANYMGT-TUAOUCFPSA-N -1 1 384.400 0.018 20 0 GCADMM Cc1ccc([C@@H](C)C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)o1 ZINC001571237648 953222509 /nfs/dbraw/zinc/22/25/09/953222509.db2.gz KQHQJFSFFKAMPO-RTXFEEFZSA-N -1 1 384.400 0.028 20 0 GCADMM Cc1ccc([C@@H](C)C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)o1 ZINC001571237648 953222513 /nfs/dbraw/zinc/22/25/13/953222513.db2.gz KQHQJFSFFKAMPO-RTXFEEFZSA-N -1 1 384.400 0.028 20 0 GCADMM COc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571237696 953223192 /nfs/dbraw/zinc/22/31/92/953223192.db2.gz MAAIQQSLZJJPDD-MNOVXSKESA-N -1 1 384.400 0.691 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001571238102 953225850 /nfs/dbraw/zinc/22/58/50/953225850.db2.gz UDUGXTIYDLBSTE-SRVKXCTJSA-N -1 1 384.404 0.316 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)[nH]n1 ZINC001571238241 953227525 /nfs/dbraw/zinc/22/75/25/953227525.db2.gz XWDDJFKHMMMFJC-UWVGGRQHSA-N -1 1 384.404 0.494 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)[nH]n1 ZINC001571238241 953227526 /nfs/dbraw/zinc/22/75/26/953227526.db2.gz XWDDJFKHMMMFJC-UWVGGRQHSA-N -1 1 384.404 0.494 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1=COCCO1 ZINC001571238340 953227993 /nfs/dbraw/zinc/22/79/93/953227993.db2.gz ZYZWKRNTEGACMB-GFCCVEGCSA-N -1 1 384.400 0.020 20 0 GCADMM Cc1nonc1CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238540 953230111 /nfs/dbraw/zinc/23/01/11/953230111.db2.gz GKUCGGUFLIWMKY-NSHDSACASA-N -1 1 384.404 0.384 20 0 GCADMM Cc1nonc1CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238540 953230115 /nfs/dbraw/zinc/23/01/15/953230115.db2.gz GKUCGGUFLIWMKY-NSHDSACASA-N -1 1 384.404 0.384 20 0 GCADMM Cn1c(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)c[nH]c1=O ZINC001571238656 953231499 /nfs/dbraw/zinc/23/14/99/953231499.db2.gz JNLFLZMEVNWCGC-MGCOHNPYSA-N -1 1 384.404 0.249 20 0 GCADMM Cn1c(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)c[nH]c1=O ZINC001571238656 953231500 /nfs/dbraw/zinc/23/15/00/953231500.db2.gz JNLFLZMEVNWCGC-MGCOHNPYSA-N -1 1 384.404 0.249 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571238721 953232380 /nfs/dbraw/zinc/23/23/80/953232380.db2.gz LDSXIYJWLFZJKC-UHFFFAOYSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571238721 953232382 /nfs/dbraw/zinc/23/23/82/953232382.db2.gz LDSXIYJWLFZJKC-UHFFFAOYSA-N -1 1 384.404 0.241 20 0 GCADMM Cn1c(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]c1=O ZINC001571239011 953234768 /nfs/dbraw/zinc/23/47/68/953234768.db2.gz PBJLSWPZLVKXMY-VHSXEESVSA-N -1 1 384.404 0.106 20 0 GCADMM Cn1c(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]c1=O ZINC001571239011 953234770 /nfs/dbraw/zinc/23/47/70/953234770.db2.gz PBJLSWPZLVKXMY-VHSXEESVSA-N -1 1 384.404 0.106 20 0 GCADMM Cc1nonc1C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571239465 953239601 /nfs/dbraw/zinc/23/96/01/953239601.db2.gz USAVKVWTSTUHKP-SECBINFHSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1nonc1C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571239465 953239604 /nfs/dbraw/zinc/23/96/04/953239604.db2.gz USAVKVWTSTUHKP-SECBINFHSA-N -1 1 384.404 0.701 20 0 GCADMM Cn1c(C(=O)NC2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)c[nH]c1=O ZINC001571239822 953242630 /nfs/dbraw/zinc/24/26/30/953242630.db2.gz YYWMBFZTZKNROR-UHFFFAOYSA-N -1 1 384.404 0.249 20 0 GCADMM Cn1c(C(=O)NC2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)c[nH]c1=O ZINC001571239822 953242633 /nfs/dbraw/zinc/24/26/33/953242633.db2.gz YYWMBFZTZKNROR-UHFFFAOYSA-N -1 1 384.404 0.249 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)[nH]c1=O ZINC001571239849 953243324 /nfs/dbraw/zinc/24/33/24/953243324.db2.gz ZNHCZNJHENDACF-ZJUUUORDSA-N -1 1 384.404 0.106 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1snnc1C1CC1 ZINC001571241485 953246562 /nfs/dbraw/zinc/24/65/62/953246562.db2.gz ASFXOIOIWABCPK-SECBINFHSA-N -1 1 384.429 0.394 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1snnc1C1CC1 ZINC001571241485 953246564 /nfs/dbraw/zinc/24/65/64/953246564.db2.gz ASFXOIOIWABCPK-SECBINFHSA-N -1 1 384.429 0.394 20 0 GCADMM O=C(c1cnns1)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571241599 953248083 /nfs/dbraw/zinc/24/80/83/953248083.db2.gz FWIJARSVSWZTED-ZJUUUORDSA-N -1 1 384.429 0.107 20 0 GCADMM O=C(c1cnns1)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571241599 953248087 /nfs/dbraw/zinc/24/80/87/953248087.db2.gz FWIJARSVSWZTED-ZJUUUORDSA-N -1 1 384.429 0.107 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)c1csnn1 ZINC001571241677 953248662 /nfs/dbraw/zinc/24/86/62/953248662.db2.gz HXBXOTKFFKQJAO-ZJUUUORDSA-N -1 1 384.429 0.083 20 0 GCADMM Cc1nnsc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571241845 953250647 /nfs/dbraw/zinc/25/06/47/953250647.db2.gz NAXXDIJQCBAOPL-AOOOYVTPSA-N -1 1 384.429 0.025 20 0 GCADMM CC[C@](NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1)(C(N)=O)C(C)C ZINC001571242112 953253014 /nfs/dbraw/zinc/25/30/14/953253014.db2.gz UXITYTIZCRMIMR-OAHLLOKOSA-N -1 1 384.437 0.883 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)C3=CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571242306 953255317 /nfs/dbraw/zinc/25/53/17/953255317.db2.gz CWSAHEVNDORSBK-ZDUSSCGKSA-N -1 1 384.444 0.969 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)C3=CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571242306 953255324 /nfs/dbraw/zinc/25/53/24/953255324.db2.gz CWSAHEVNDORSBK-ZDUSSCGKSA-N -1 1 384.444 0.969 20 0 GCADMM CC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571242450 953256375 /nfs/dbraw/zinc/25/63/75/953256375.db2.gz GQKJWXBWMGXPFP-CQUYNDQOSA-N -1 1 384.444 0.588 20 0 GCADMM CC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571242450 953256376 /nfs/dbraw/zinc/25/63/76/953256376.db2.gz GQKJWXBWMGXPFP-CQUYNDQOSA-N -1 1 384.444 0.588 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCOCC2)n1 ZINC001571242400 953256387 /nfs/dbraw/zinc/25/63/87/953256387.db2.gz FOQKBYRFJBLWEO-CXTNEJHOSA-N -1 1 384.444 0.333 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCOCC2)n1 ZINC001571242400 953256389 /nfs/dbraw/zinc/25/63/89/953256389.db2.gz FOQKBYRFJBLWEO-CXTNEJHOSA-N -1 1 384.444 0.333 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)[C@]12C[C@H]1COC2)c1nccnc1-c1nnn[n-]1 ZINC001571242491 953256692 /nfs/dbraw/zinc/25/66/92/953256692.db2.gz HSOYNCCXDRCMOX-LXIYXOSZSA-N -1 1 384.444 0.511 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)[C@]12C[C@H]1COC2)c1nccnc1-c1nn[n-]n1 ZINC001571242491 953256693 /nfs/dbraw/zinc/25/66/93/953256693.db2.gz HSOYNCCXDRCMOX-LXIYXOSZSA-N -1 1 384.444 0.511 20 0 GCADMM CO[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC001571242582 953257520 /nfs/dbraw/zinc/25/75/20/953257520.db2.gz JJZKJPNERXFWHL-XWXWGSFUSA-N -1 1 384.444 0.475 20 0 GCADMM CO[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC001571242582 953257523 /nfs/dbraw/zinc/25/75/23/953257523.db2.gz JJZKJPNERXFWHL-XWXWGSFUSA-N -1 1 384.444 0.475 20 0 GCADMM CC[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCO1 ZINC001571242594 953258161 /nfs/dbraw/zinc/25/81/61/953258161.db2.gz JTQQMABJTVRQCH-VGBQHSPPSA-N -1 1 384.444 0.413 20 0 GCADMM CC[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCO1 ZINC001571242594 953258165 /nfs/dbraw/zinc/25/81/65/953258165.db2.gz JTQQMABJTVRQCH-VGBQHSPPSA-N -1 1 384.444 0.413 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571242832 953260046 /nfs/dbraw/zinc/26/00/46/953260046.db2.gz OWZCKHSMBGIEGR-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571242832 953260055 /nfs/dbraw/zinc/26/00/55/953260055.db2.gz OWZCKHSMBGIEGR-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCCOC1 ZINC001571242801 953260429 /nfs/dbraw/zinc/26/04/29/953260429.db2.gz OJPRJJCIXULMDE-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCCOC1 ZINC001571242801 953260434 /nfs/dbraw/zinc/26/04/34/953260434.db2.gz OJPRJJCIXULMDE-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571243069 953262880 /nfs/dbraw/zinc/26/28/80/953262880.db2.gz VCTPBBWIPYXBGA-COMQUAJESA-N -1 1 384.444 0.651 20 0 GCADMM CCO[C@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571243069 953262883 /nfs/dbraw/zinc/26/28/83/953262883.db2.gz VCTPBBWIPYXBGA-COMQUAJESA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571243101 953263566 /nfs/dbraw/zinc/26/35/66/953263566.db2.gz WFTJMBFXOOPYMP-YNKQFZHNSA-N -1 1 384.444 0.414 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)O1 ZINC001571243176 953264127 /nfs/dbraw/zinc/26/41/27/953264127.db2.gz XZNLMLFTBDIQJH-XIKOKIGWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)O1 ZINC001571243176 953264128 /nfs/dbraw/zinc/26/41/28/953264128.db2.gz XZNLMLFTBDIQJH-XIKOKIGWSA-N -1 1 384.444 0.653 20 0 GCADMM CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571245287 953272212 /nfs/dbraw/zinc/27/22/12/953272212.db2.gz FSZMKWIYLHADSD-QMTHXVAHSA-N -1 1 384.448 0.365 20 0 GCADMM O=C([C@H]1CCOC1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571247673 953284630 /nfs/dbraw/zinc/28/46/30/953284630.db2.gz BHMFXWBRHMGXFQ-UGSOOPFHSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1CCOC1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571247673 953284633 /nfs/dbraw/zinc/28/46/33/953284633.db2.gz BHMFXWBRHMGXFQ-UGSOOPFHSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1C[C@]12CCOC2)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571247716 953285147 /nfs/dbraw/zinc/28/51/47/953285147.db2.gz CCOFQVBVLMWCDK-ACJLOTCBSA-N -1 1 384.444 0.156 20 0 GCADMM O=C([C@@H]1C[C@]12CCOC2)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571248019 953288863 /nfs/dbraw/zinc/28/88/63/953288863.db2.gz CCOFQVBVLMWCDK-UGSOOPFHSA-N -1 1 384.444 0.156 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)[C@H]1CCCOC1 ZINC001571248086 953289612 /nfs/dbraw/zinc/28/96/12/953289612.db2.gz DOWRURGLFWLPIW-CKNZGFSTSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)[C@H]1CCCOC1 ZINC001571248086 953289617 /nfs/dbraw/zinc/28/96/17/953289617.db2.gz DOWRURGLFWLPIW-CKNZGFSTSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571248522 953294270 /nfs/dbraw/zinc/29/42/70/953294270.db2.gz FIDLNXMYJCPLLT-JSGCOSHPSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571248522 953294272 /nfs/dbraw/zinc/29/42/72/953294272.db2.gz FIDLNXMYJCPLLT-JSGCOSHPSA-N -1 1 384.444 0.701 20 0 GCADMM O=C([C@H]1CCCOCC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571248565 953295519 /nfs/dbraw/zinc/29/55/19/953295519.db2.gz GPGZEUZJZJRLIG-MELADBBJSA-N -1 1 384.444 0.653 20 0 GCADMM O=C([C@H]1CCCOCC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571248565 953295522 /nfs/dbraw/zinc/29/55/22/953295522.db2.gz GPGZEUZJZJRLIG-MELADBBJSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1=CCOCC1 ZINC001571248785 953296943 /nfs/dbraw/zinc/29/69/43/953296943.db2.gz IIJGCBSJLPBUPA-KBPBESRZSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(CC1CCC1)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571248909 953298611 /nfs/dbraw/zinc/29/86/11/953298611.db2.gz LPSOQXPTGXBOHA-GOSISDBHSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(CC1CCC1)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571248909 953298613 /nfs/dbraw/zinc/29/86/13/953298613.db2.gz LPSOQXPTGXBOHA-GOSISDBHSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(CC[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571248885 953298642 /nfs/dbraw/zinc/29/86/42/953298642.db2.gz LDIYMFIFPASRQV-MJBXVCDLSA-N -1 1 384.444 0.796 20 0 GCADMM O=C(CC[C@@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571248885 953298645 /nfs/dbraw/zinc/29/86/45/953298645.db2.gz LDIYMFIFPASRQV-MJBXVCDLSA-N -1 1 384.444 0.796 20 0 GCADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571248982 953299442 /nfs/dbraw/zinc/29/94/42/953299442.db2.gz NHEWTPQDLWHGNZ-BHPKHCPMSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571248982 953299445 /nfs/dbraw/zinc/29/94/45/953299445.db2.gz NHEWTPQDLWHGNZ-BHPKHCPMSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(C1CCOCC1)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571249319 953303344 /nfs/dbraw/zinc/30/33/44/953303344.db2.gz OKAQBDURRIAFFX-UONOGXRCSA-N -1 1 384.444 0.653 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249413 953304461 /nfs/dbraw/zinc/30/44/61/953304461.db2.gz PLVADJMRVPITNP-KSSFIOAISA-N -1 1 384.444 0.655 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249413 953304465 /nfs/dbraw/zinc/30/44/65/953304465.db2.gz PLVADJMRVPITNP-KSSFIOAISA-N -1 1 384.444 0.655 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@@H]1CCCOC1 ZINC001571250330 953310314 /nfs/dbraw/zinc/31/03/14/953310314.db2.gz QTFLRUSGEAWXAW-TZMCWYRMSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@@H]1CCCOC1 ZINC001571250330 953310321 /nfs/dbraw/zinc/31/03/21/953310321.db2.gz QTFLRUSGEAWXAW-TZMCWYRMSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)[C@H]1CCCC2(CC2)C1 ZINC001571250400 953310941 /nfs/dbraw/zinc/31/09/41/953310941.db2.gz RFYHJAQZBMDWEF-YNEHKIRRSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)[C@H]1CCCC2(CC2)C1 ZINC001571250400 953310945 /nfs/dbraw/zinc/31/09/45/953310945.db2.gz RFYHJAQZBMDWEF-YNEHKIRRSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)[C@@H]1C[C@@]12CCOC2 ZINC001571251707 953318213 /nfs/dbraw/zinc/31/82/13/953318213.db2.gz UTFARYZSIRJVPG-PAKFGRKTSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)[C@@H]1C[C@@]12CCOC2 ZINC001571251707 953318219 /nfs/dbraw/zinc/31/82/19/953318219.db2.gz UTFARYZSIRJVPG-PAKFGRKTSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571252215 953324787 /nfs/dbraw/zinc/32/47/87/953324787.db2.gz ZCFSGYGNYVBODJ-UGSOOPFHSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571252215 953324791 /nfs/dbraw/zinc/32/47/91/953324791.db2.gz ZCFSGYGNYVBODJ-UGSOOPFHSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@@H]1COC(=O)N1 ZINC001571252516 953329291 /nfs/dbraw/zinc/32/92/91/953329291.db2.gz ODSYUTZDTCOCSI-JKUQZMGJSA-N -1 1 384.809 0.144 20 0 GCADMM Cc1cc(OCC(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571254748 953341710 /nfs/dbraw/zinc/34/17/10/953341710.db2.gz COVDVMGQPYYIAI-NSHDSACASA-N -1 1 385.388 0.435 20 0 GCADMM Cc1cc(OCC(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571254748 953341717 /nfs/dbraw/zinc/34/17/17/953341717.db2.gz COVDVMGQPYYIAI-NSHDSACASA-N -1 1 385.388 0.435 20 0 GCADMM CCOc1nc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)co1 ZINC001571254749 953342456 /nfs/dbraw/zinc/34/24/56/953342456.db2.gz CPAXFORQYYEZMF-NXEZZACHSA-N -1 1 385.388 0.759 20 0 GCADMM CCOc1nc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)co1 ZINC001571254749 953342460 /nfs/dbraw/zinc/34/24/60/953342460.db2.gz CPAXFORQYYEZMF-NXEZZACHSA-N -1 1 385.388 0.759 20 0 GCADMM CCOc1nc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)co1 ZINC001571255747 953353777 /nfs/dbraw/zinc/35/37/77/953353777.db2.gz MHOZQGVGOVWNSC-UHFFFAOYSA-N -1 1 385.388 0.442 20 0 GCADMM CCOc1nc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)co1 ZINC001571255747 953353785 /nfs/dbraw/zinc/35/37/85/953353785.db2.gz MHOZQGVGOVWNSC-UHFFFAOYSA-N -1 1 385.388 0.442 20 0 GCADMM COc1nc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)co1 ZINC001571255699 953353802 /nfs/dbraw/zinc/35/38/02/953353802.db2.gz LMEIPQAEKWUXSS-JTQLQIEISA-N -1 1 385.388 0.678 20 0 GCADMM COc1nc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)co1 ZINC001571255699 953353810 /nfs/dbraw/zinc/35/38/10/953353810.db2.gz LMEIPQAEKWUXSS-JTQLQIEISA-N -1 1 385.388 0.678 20 0 GCADMM Cc1ocnc1C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571255949 953359571 /nfs/dbraw/zinc/35/95/71/953359571.db2.gz MXEXHSCKXLVLTL-NSHDSACASA-N -1 1 385.388 0.215 20 0 GCADMM Cc1ocnc1C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571255949 953359578 /nfs/dbraw/zinc/35/95/78/953359578.db2.gz MXEXHSCKXLVLTL-NSHDSACASA-N -1 1 385.388 0.215 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)on1 ZINC001571255987 953359782 /nfs/dbraw/zinc/35/97/82/953359782.db2.gz NPPCJOFUSOIESG-UWVGGRQHSA-N -1 1 385.388 0.038 20 0 GCADMM Cc1cc(OCC(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571256284 953367353 /nfs/dbraw/zinc/36/73/53/953367353.db2.gz RUKJGPREAPDHAF-NSHDSACASA-N -1 1 385.388 0.069 20 0 GCADMM Cc1cc(OCC(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571256284 953367359 /nfs/dbraw/zinc/36/73/59/953367359.db2.gz RUKJGPREAPDHAF-NSHDSACASA-N -1 1 385.388 0.069 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571256308 953368869 /nfs/dbraw/zinc/36/88/69/953368869.db2.gz SPQHCAWWZJWBKF-SNVBAGLBSA-N -1 1 385.388 0.252 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571256308 953368875 /nfs/dbraw/zinc/36/88/75/953368875.db2.gz SPQHCAWWZJWBKF-SNVBAGLBSA-N -1 1 385.388 0.252 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000566234737 953621845 /nfs/dbraw/zinc/62/18/45/953621845.db2.gz MQFNOQFMMBKPIM-HTRCEHHLSA-N -1 1 387.322 0.895 20 0 GCADMM CN(C)CCN(CC(=O)[O-])C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC001593698994 954092192 /nfs/dbraw/zinc/09/21/92/954092192.db2.gz BTPGAIXYKRKCST-SANMLTNESA-N -1 1 384.454 0.430 20 0 GCADMM CN(Cc1ccccc1)C1CN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001593760077 954477008 /nfs/dbraw/zinc/47/70/08/954477008.db2.gz QPAXXJLELOSFBZ-QGZVFWFLSA-N -1 1 388.468 0.978 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc2n(n1)CCO2 ZINC001594888419 954486776 /nfs/dbraw/zinc/48/67/76/954486776.db2.gz CZBLNLLQFUZBEM-XCBNKYQSSA-N -1 1 376.291 0.012 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001594888730 954492935 /nfs/dbraw/zinc/49/29/35/954492935.db2.gz GWDSAARECOUPOG-NGZCFLSTSA-N -1 1 398.359 0.058 20 0 GCADMM 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NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432181751 531120619 /nfs/dbraw/zinc/12/06/19/531120619.db2.gz FSNCBNDCBINMHD-UHFFFAOYSA-N -1 1 379.419 0.976 20 0 GCADMM COC(=O)C1([N-]S(=O)(=O)CC23CCC(CC2)CC3)CCS(=O)(=O)CC1 ZINC000432204967 531121561 /nfs/dbraw/zinc/12/15/61/531121561.db2.gz WBQDYHLLAOSIRY-UHFFFAOYSA-N -1 1 393.527 0.997 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(CCO)CC2)c(F)c1 ZINC000676846711 531140737 /nfs/dbraw/zinc/14/07/37/531140737.db2.gz NQBTYIZYQUBWSC-UHFFFAOYSA-N -1 1 380.463 0.980 20 0 GCADMM CNS(=O)(=O)c1cc(C(=O)[N-]c2nnc(CCC(=O)OC)s2)c(C)o1 ZINC000434268256 531134691 /nfs/dbraw/zinc/13/46/91/531134691.db2.gz CAEUAFYIGRBTTM-UHFFFAOYSA-N -1 1 388.427 0.706 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)co1 ZINC000552707496 531145586 /nfs/dbraw/zinc/14/55/86/531145586.db2.gz FCZNQDJWORBFCI-UHFFFAOYSA-N -1 1 388.423 0.852 20 0 GCADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000436781209 531146750 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CN(C)S(=O)(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000554710103 531164427 /nfs/dbraw/zinc/16/44/27/531164427.db2.gz XVLANHHUPUGLHB-LLVKDONJSA-N -1 1 397.469 0.904 20 0 GCADMM COCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000629330769 531166011 /nfs/dbraw/zinc/16/60/11/531166011.db2.gz CVEAEBMNMIPQIQ-ZDUSSCGKSA-N -1 1 378.472 0.532 20 0 GCADMM COCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000629331137 531166058 /nfs/dbraw/zinc/16/60/58/531166058.db2.gz JGKVTXMMNLUDAF-UHFFFAOYSA-N -1 1 392.499 0.780 20 0 GCADMM CC1(C)C[S@@](=O)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000440071362 531168549 /nfs/dbraw/zinc/16/85/49/531168549.db2.gz AUURBAURNQJZJW-QFIPXVFZSA-N -1 1 398.503 0.729 20 0 GCADMM Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C)c(C(F)(F)F)n1 ZINC000555286352 531168561 /nfs/dbraw/zinc/16/85/61/531168561.db2.gz MUFMFBRHJXHAOW-UHFFFAOYSA-N -1 1 392.425 0.435 20 0 GCADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CC[S@](=O)C1 ZINC000564487708 531174730 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O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@]1(CCO)CCOC1 ZINC000566281962 531195765 /nfs/dbraw/zinc/19/57/65/531195765.db2.gz HRIIEVGZHCKVFO-CQSZACIVSA-N -1 1 397.280 0.929 20 0 GCADMM O=S(=O)([N-]CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000443050368 531196121 /nfs/dbraw/zinc/19/61/21/531196121.db2.gz ZGVOVVHXJNAXAS-KGLIPLIRSA-N -1 1 381.420 0.856 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)o1 ZINC000359926260 206271026 /nfs/dbraw/zinc/27/10/26/206271026.db2.gz GHJUCTJDCWZIGW-NSHDSACASA-N -1 1 387.483 0.368 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@](C)(c3ccccc3)C2)n(C)c1=O ZINC000737596376 598830213 /nfs/dbraw/zinc/83/02/13/598830213.db2.gz MSEZTIAVOLGEGL-LJQANCHMSA-N -1 1 381.440 0.822 20 0 GCADMM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736655335 598836186 /nfs/dbraw/zinc/83/61/86/598836186.db2.gz BUCJTUSIBACTBZ-VIFPVBQESA-N -1 1 391.450 0.450 20 0 GCADMM Cn1cnnc1C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737618700 598845874 /nfs/dbraw/zinc/84/58/74/598845874.db2.gz JYKFDKGHFWUOOV-UHFFFAOYSA-N -1 1 392.420 0.703 20 0 GCADMM Cn1cnnc1C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737618700 598845876 /nfs/dbraw/zinc/84/58/76/598845876.db2.gz JYKFDKGHFWUOOV-UHFFFAOYSA-N -1 1 392.420 0.703 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(O[C@H]3CCOC3)cc2)n(C)c1=O ZINC000737594834 598857194 /nfs/dbraw/zinc/85/71/94/598857194.db2.gz BKAMUWRPIAQCOZ-LBPRGKRZSA-N -1 1 385.384 0.175 20 0 GCADMM COCCN(CCOC)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736994109 598873321 /nfs/dbraw/zinc/87/33/21/598873321.db2.gz FBSUNMAEIFXQDP-UHFFFAOYSA-N -1 1 375.838 0.804 20 0 GCADMM COCCN(CCOC)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736994109 598873322 /nfs/dbraw/zinc/87/33/22/598873322.db2.gz FBSUNMAEIFXQDP-UHFFFAOYSA-N -1 1 375.838 0.804 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]1Cn1cncn1 ZINC000738355887 598876361 /nfs/dbraw/zinc/87/63/61/598876361.db2.gz UITGXUNLCJWLER-SNVBAGLBSA-N -1 1 394.848 0.965 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cncn1 ZINC000738355887 598876362 /nfs/dbraw/zinc/87/63/62/598876362.db2.gz UITGXUNLCJWLER-SNVBAGLBSA-N -1 1 394.848 0.965 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]1Cn1cncn1 ZINC000738355886 598876367 /nfs/dbraw/zinc/87/63/67/598876367.db2.gz UITGXUNLCJWLER-JTQLQIEISA-N -1 1 394.848 0.965 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]1Cn1cncn1 ZINC000738355886 598876368 /nfs/dbraw/zinc/87/63/68/598876368.db2.gz UITGXUNLCJWLER-JTQLQIEISA-N -1 1 394.848 0.965 20 0 GCADMM COCCN(CC(=O)OC)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736990241 598892311 /nfs/dbraw/zinc/89/23/11/598892311.db2.gz LHWPRDGEJMXFNA-UHFFFAOYSA-N -1 1 392.416 0.165 20 0 GCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000737486541 598913098 /nfs/dbraw/zinc/91/30/98/598913098.db2.gz COKIFIWHIKJKNA-UHFFFAOYSA-N -1 1 394.395 0.927 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)COCc2ccccc2)c1 ZINC000736941776 598918663 /nfs/dbraw/zinc/91/86/63/598918663.db2.gz UYIZDXINUJCSBD-CQSZACIVSA-N -1 1 385.380 0.393 20 0 GCADMM C[C@H](C(=O)NC1CC1)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735538739 598934543 /nfs/dbraw/zinc/93/45/43/598934543.db2.gz YMMORJLAPHCQKV-GFCCVEGCSA-N -1 1 393.455 0.599 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H](C)C[C@H](C)O ZINC000737488864 598952081 /nfs/dbraw/zinc/95/20/81/598952081.db2.gz YUXORMALZFIENE-MNOVXSKESA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H](C)C[C@H](C)O ZINC000737488864 598952083 /nfs/dbraw/zinc/95/20/83/598952083.db2.gz YUXORMALZFIENE-MNOVXSKESA-N -1 1 386.460 0.982 20 0 GCADMM O=C(COC(=O)C1=COCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737909784 598964756 /nfs/dbraw/zinc/96/47/56/598964756.db2.gz WQCYMPNJBXHFMW-UHFFFAOYSA-N -1 1 381.352 0.838 20 0 GCADMM O=C(COC(=O)C1=COCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737909784 598964757 /nfs/dbraw/zinc/96/47/57/598964757.db2.gz WQCYMPNJBXHFMW-UHFFFAOYSA-N -1 1 381.352 0.838 20 0 GCADMM CCn1cc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)cn1 ZINC000736723399 598970409 /nfs/dbraw/zinc/97/04/09/598970409.db2.gz UHOCAYQOGHJJIL-UHFFFAOYSA-N -1 1 394.443 0.992 20 0 GCADMM CCn1cc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)cn1 ZINC000736723399 598970411 /nfs/dbraw/zinc/97/04/11/598970411.db2.gz UHOCAYQOGHJJIL-UHFFFAOYSA-N -1 1 394.443 0.992 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)c2ccccc2Cl)n(C)c1=O ZINC000737597049 598974036 /nfs/dbraw/zinc/97/40/36/598974036.db2.gz PHQXGQRMJHOGPK-SNVBAGLBSA-N -1 1 377.792 0.063 20 0 GCADMM CCO[C@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCC2 ZINC000736610427 598977334 /nfs/dbraw/zinc/97/73/34/598977334.db2.gz HJKYNHBWBRFNKN-NEPJUHHUSA-N -1 1 389.460 0.438 20 0 GCADMM C[C@]1(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)NC(=O)NC1=O ZINC000736225574 598993474 /nfs/dbraw/zinc/99/34/74/598993474.db2.gz ZRGLJNGJZDBRCL-QGZVFWFLSA-N -1 1 378.352 0.569 20 0 GCADMM C[C@]1(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)NC(=O)NC1=O ZINC000736225574 598993475 /nfs/dbraw/zinc/99/34/75/598993475.db2.gz ZRGLJNGJZDBRCL-QGZVFWFLSA-N -1 1 378.352 0.569 20 0 GCADMM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738150396 598994644 /nfs/dbraw/zinc/99/46/44/598994644.db2.gz KOWNMZCHYHFOOV-UHFFFAOYSA-N -1 1 379.380 0.986 20 0 GCADMM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738150396 598994645 /nfs/dbraw/zinc/99/46/45/598994645.db2.gz KOWNMZCHYHFOOV-UHFFFAOYSA-N -1 1 379.380 0.986 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737776700 599014424 /nfs/dbraw/zinc/01/44/24/599014424.db2.gz QAUFYSSAOQEBNT-UHFFFAOYSA-N -1 1 383.340 0.525 20 0 GCADMM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000736770306 599018673 /nfs/dbraw/zinc/01/86/73/599018673.db2.gz IVONIMPZJUJIMW-UHFFFAOYSA-N -1 1 399.436 0.715 20 0 GCADMM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000736770306 599018674 /nfs/dbraw/zinc/01/86/74/599018674.db2.gz IVONIMPZJUJIMW-UHFFFAOYSA-N -1 1 399.436 0.715 20 0 GCADMM O=C(NC1CC1)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738021758 599021155 /nfs/dbraw/zinc/02/11/55/599021155.db2.gz PZWOFDSRCPVGSW-UHFFFAOYSA-N -1 1 398.383 0.042 20 0 GCADMM NS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000737764647 599024259 /nfs/dbraw/zinc/02/42/59/599024259.db2.gz JXJWLKWGNMKJLY-UHFFFAOYSA-N -1 1 386.397 0.080 20 0 GCADMM NS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000737764647 599024261 /nfs/dbraw/zinc/02/42/61/599024261.db2.gz JXJWLKWGNMKJLY-UHFFFAOYSA-N -1 1 386.397 0.080 20 0 GCADMM CCOc1ccnc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000736655629 599029400 /nfs/dbraw/zinc/02/94/00/599029400.db2.gz VJSPIMBOSCRZMG-UHFFFAOYSA-N -1 1 381.400 0.413 20 0 GCADMM CCOc1ccnc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000736655629 599029403 /nfs/dbraw/zinc/02/94/03/599029403.db2.gz VJSPIMBOSCRZMG-UHFFFAOYSA-N -1 1 381.400 0.413 20 0 GCADMM Cc1ccccc1[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000822350330 599036169 /nfs/dbraw/zinc/03/61/69/599036169.db2.gz CBZRFSMVEFJXAE-ZDUSSCGKSA-N -1 1 383.412 0.150 20 0 GCADMM COCCNC(=O)Cn1cc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000821691094 599039221 /nfs/dbraw/zinc/03/92/21/599039221.db2.gz IFRFMHLYJSUJMX-UHFFFAOYSA-N -1 1 394.399 0.513 20 0 GCADMM COCCNC(=O)Cn1cc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cn1 ZINC000821691094 599039224 /nfs/dbraw/zinc/03/92/24/599039224.db2.gz IFRFMHLYJSUJMX-UHFFFAOYSA-N -1 1 394.399 0.513 20 0 GCADMM COc1ccc2c(c1)OCC[C@@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821854184 599043650 /nfs/dbraw/zinc/04/36/50/599043650.db2.gz HMTXROLBUVDGQZ-NSHDSACASA-N -1 1 385.384 0.208 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](Cn2cccn2)c2ccccc2)n(C)c1=O ZINC000737594862 599044920 /nfs/dbraw/zinc/04/49/20/599044920.db2.gz CKVFULNOUKGYEL-ZDUSSCGKSA-N -1 1 393.411 0.314 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)c2c(F)cccc2Cl)n(C)c1=O ZINC000737597813 599045276 /nfs/dbraw/zinc/04/52/76/599045276.db2.gz VCQPWZAFPYYYSL-SECBINFHSA-N -1 1 395.782 0.202 20 0 GCADMM CCOC(=O)[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000821321138 599050768 /nfs/dbraw/zinc/05/07/68/599050768.db2.gz UOYFBOQZKQGMHV-GFCCVEGCSA-N -1 1 399.411 0.023 20 0 GCADMM Cn1ccnc1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737615377 599053497 /nfs/dbraw/zinc/05/34/97/599053497.db2.gz HZUNXWGQIACAQU-UHFFFAOYSA-N -1 1 395.383 0.811 20 0 GCADMM CN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000736841650 599063283 /nfs/dbraw/zinc/06/32/83/599063283.db2.gz GVERNCNSJZMUGK-CQSZACIVSA-N -1 1 396.455 0.369 20 0 GCADMM C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccccc1Cl ZINC000820276163 599064359 /nfs/dbraw/zinc/06/43/59/599064359.db2.gz SZOZZBBAUOXDNI-SECBINFHSA-N -1 1 391.819 0.797 20 0 GCADMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc2c(c1)OCCO2 ZINC000820925059 599095246 /nfs/dbraw/zinc/09/52/46/599095246.db2.gz COYILTANKVFFHM-LLVKDONJSA-N -1 1 399.411 0.599 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCc3nn(C)c(=O)cc3C2)c(-c2nn[n-]n2)c1C ZINC000822542190 599103597 /nfs/dbraw/zinc/10/35/97/599103597.db2.gz UUWQREZHCVZFMU-JTQLQIEISA-N -1 1 398.427 0.556 20 0 GCADMM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000736583172 599108099 /nfs/dbraw/zinc/10/80/99/599108099.db2.gz RNMYGCNHFGYYBD-UHFFFAOYSA-N -1 1 399.436 0.763 20 0 GCADMM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000736583172 599108101 /nfs/dbraw/zinc/10/81/01/599108101.db2.gz RNMYGCNHFGYYBD-UHFFFAOYSA-N -1 1 399.436 0.763 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)c3cccc(O)c3)CC2)o1 ZINC000737467025 599134557 /nfs/dbraw/zinc/13/45/57/599134557.db2.gz JXPPSVNVKDOYSG-UHFFFAOYSA-N -1 1 398.427 0.654 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCCOc1ccc(F)cc1 ZINC000737907241 599134940 /nfs/dbraw/zinc/13/49/40/599134940.db2.gz ADSHATQUYASMQB-UHFFFAOYSA-N -1 1 386.343 0.753 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCCOc1ccc(F)cc1 ZINC000737907241 599134943 /nfs/dbraw/zinc/13/49/43/599134943.db2.gz ADSHATQUYASMQB-UHFFFAOYSA-N -1 1 386.343 0.753 20 0 GCADMM CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736770982 599134990 /nfs/dbraw/zinc/13/49/90/599134990.db2.gz VUWUTTCRLIAPHJ-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736770982 599134991 /nfs/dbraw/zinc/13/49/91/599134991.db2.gz VUWUTTCRLIAPHJ-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)NCc1ccccc1 ZINC000736159073 599135914 /nfs/dbraw/zinc/13/59/14/599135914.db2.gz UGGCEGNHCTUFSX-LLVKDONJSA-N -1 1 395.379 0.833 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)NCc1ccccc1 ZINC000736159073 599135915 /nfs/dbraw/zinc/13/59/15/599135915.db2.gz UGGCEGNHCTUFSX-LLVKDONJSA-N -1 1 395.379 0.833 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000736158457 599140682 /nfs/dbraw/zinc/14/06/82/599140682.db2.gz QFWAOSWZBRHBTD-SSDOTTSWSA-N -1 1 380.328 0.112 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000736158457 599140683 /nfs/dbraw/zinc/14/06/83/599140683.db2.gz QFWAOSWZBRHBTD-SSDOTTSWSA-N -1 1 380.328 0.112 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737549506 599209535 /nfs/dbraw/zinc/20/95/35/599209535.db2.gz WCICWPCOZIDVLN-KOLCDFICSA-N -1 1 397.461 0.027 20 0 GCADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000817803123 596921113 /nfs/dbraw/zinc/92/11/13/596921113.db2.gz MEPUWMANOOZFKZ-AWEZNQCLSA-N -1 1 384.477 0.108 20 0 GCADMM CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN(C)CCC(=O)[O-] ZINC000818457322 597000218 /nfs/dbraw/zinc/00/02/18/597000218.db2.gz YTMPILZVJPKDNE-UHFFFAOYSA-N -1 1 383.470 0.623 20 0 GCADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000460824212 599234759 /nfs/dbraw/zinc/23/47/59/599234759.db2.gz VCWQOXKCIQBFNK-UHFFFAOYSA-N -1 1 383.397 0.858 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000822005921 607266249 /nfs/dbraw/zinc/26/62/49/607266249.db2.gz VNKUAKJLNNPBHB-JSGCOSHPSA-N -1 1 389.460 0.352 20 0 GCADMM CC(=O)N1CCCc2ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc21 ZINC000534048210 597041923 /nfs/dbraw/zinc/04/19/23/597041923.db2.gz FRQYJYCNCBOMRX-UHFFFAOYSA-N -1 1 383.470 0.623 20 0 GCADMM O=C([O-])CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000740483005 597047961 /nfs/dbraw/zinc/04/79/61/597047961.db2.gz LSRORMNGZWWRJR-UHFFFAOYSA-N -1 1 376.413 0.640 20 0 GCADMM COc1ccccc1-n1cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cn1 ZINC000534049073 597130178 /nfs/dbraw/zinc/13/01/78/597130178.db2.gz ZSHVGRSMPXURGS-UHFFFAOYSA-N -1 1 382.442 0.518 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCNC(=O)C[C@@H]1C ZINC000737488781 599243615 /nfs/dbraw/zinc/24/36/15/599243615.db2.gz XDKCIDWAFWQMRX-JTQLQIEISA-N -1 1 397.443 0.196 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCNC(=O)C[C@@H]1C ZINC000737488781 599243618 /nfs/dbraw/zinc/24/36/18/599243618.db2.gz XDKCIDWAFWQMRX-JTQLQIEISA-N -1 1 397.443 0.196 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000822458862 607297590 /nfs/dbraw/zinc/29/75/90/607297590.db2.gz IFSNVDFRJGOCSK-CABCVRRESA-N -1 1 384.444 0.879 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000822458862 607297591 /nfs/dbraw/zinc/29/75/91/607297591.db2.gz IFSNVDFRJGOCSK-CABCVRRESA-N -1 1 384.444 0.879 20 0 GCADMM O=S1(=O)CC[C@@H](N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)C1 ZINC000823614395 607304297 /nfs/dbraw/zinc/30/42/97/607304297.db2.gz PKJZMFGABHTAGI-MRVPVSSYSA-N -1 1 389.894 0.286 20 0 GCADMM O=S1(=O)CC[C@@H](N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)C1 ZINC000823614395 607304298 /nfs/dbraw/zinc/30/42/98/607304298.db2.gz PKJZMFGABHTAGI-MRVPVSSYSA-N -1 1 389.894 0.286 20 0 GCADMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000818520350 597535872 /nfs/dbraw/zinc/53/58/72/597535872.db2.gz NJNZZSUAWOKSHZ-CMPLNLGQSA-N -1 1 378.381 0.993 20 0 GCADMM CC(=O)NCCN(C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)[C@H](C)C(=O)[O-] ZINC000819758160 597701068 /nfs/dbraw/zinc/70/10/68/597701068.db2.gz MGSPFIVZOGQVOR-MRVPVSSYSA-N -1 1 378.410 0.676 20 0 GCADMM O=C([O-])[C@H]1CC(C(=O)Nc2nc(SCCO)n[nH]2)=NN1c1ccccc1 ZINC000821479297 598053413 /nfs/dbraw/zinc/05/34/13/598053413.db2.gz WBJZBOBWOQJGSG-LLVKDONJSA-N -1 1 376.398 0.547 20 0 GCADMM CN(CC(=O)Nc1ccc(Br)cn1)c1nccnc1-c1nnn[n-]1 ZINC000821593955 607329210 /nfs/dbraw/zinc/32/92/10/607329210.db2.gz RMODUSJDFNLERU-UHFFFAOYSA-N -1 1 390.205 0.889 20 0 GCADMM CN(CC(=O)Nc1ccc(Br)cn1)c1nccnc1-c1nn[n-]n1 ZINC000821593955 607329211 /nfs/dbraw/zinc/32/92/11/607329211.db2.gz RMODUSJDFNLERU-UHFFFAOYSA-N -1 1 390.205 0.889 20 0 GCADMM CCc1cccc2c1OCC[C@@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736696527 598248077 /nfs/dbraw/zinc/24/80/77/598248077.db2.gz YHPMLNYTHMFJBE-LBPRGKRZSA-N -1 1 383.412 0.762 20 0 GCADMM COc1cccc2c1OCC[C@@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737142965 598248295 /nfs/dbraw/zinc/24/82/95/598248295.db2.gz NWNJJPYPLSBBPA-JTQLQIEISA-N -1 1 385.384 0.208 20 0 GCADMM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccccc2)C1 ZINC000736868189 598260416 /nfs/dbraw/zinc/26/04/16/598260416.db2.gz QRPRNXHRMVIWDK-INIZCTEOSA-N -1 1 385.453 0.939 20 0 GCADMM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccccc2)C1 ZINC000736868189 598260418 /nfs/dbraw/zinc/26/04/18/598260418.db2.gz QRPRNXHRMVIWDK-INIZCTEOSA-N -1 1 385.453 0.939 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(F)c(F)c1 ZINC000737894619 598261347 /nfs/dbraw/zinc/26/13/47/598261347.db2.gz IFZFCSJMWKTVOU-UHFFFAOYSA-N -1 1 395.351 0.457 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(F)c(F)c1 ZINC000737894619 598261348 /nfs/dbraw/zinc/26/13/48/598261348.db2.gz IFZFCSJMWKTVOU-UHFFFAOYSA-N -1 1 395.351 0.457 20 0 GCADMM COC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCCC1 ZINC000736909458 598261784 /nfs/dbraw/zinc/26/17/84/598261784.db2.gz PHRZICOHMABYEE-UHFFFAOYSA-N -1 1 380.430 0.806 20 0 GCADMM COC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCCC1 ZINC000736909458 598261786 /nfs/dbraw/zinc/26/17/86/598261786.db2.gz PHRZICOHMABYEE-UHFFFAOYSA-N -1 1 380.430 0.806 20 0 GCADMM O=S(=O)(NCc1nc(-c2ccncc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345937 598262944 /nfs/dbraw/zinc/26/29/44/598262944.db2.gz SJUSYRCYIKIRLQ-UHFFFAOYSA-N -1 1 385.369 0.185 20 0 GCADMM O=S(=O)(NCc1nc(-c2ccncc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345937 598262945 /nfs/dbraw/zinc/26/29/45/598262945.db2.gz SJUSYRCYIKIRLQ-UHFFFAOYSA-N -1 1 385.369 0.185 20 0 GCADMM O=S(=O)(NCc1ccnc(N2CCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345976 598263097 /nfs/dbraw/zinc/26/30/97/598263097.db2.gz UJISZYXSZPQQKZ-UHFFFAOYSA-N -1 1 386.441 0.735 20 0 GCADMM O=S(=O)(NCc1ccnc(N2CCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345976 598263099 /nfs/dbraw/zinc/26/30/99/598263099.db2.gz UJISZYXSZPQQKZ-UHFFFAOYSA-N -1 1 386.441 0.735 20 0 GCADMM CC(C)CS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735850547 598263648 /nfs/dbraw/zinc/26/36/48/598263648.db2.gz SKCLPWCUGTYFTQ-UHFFFAOYSA-N -1 1 381.462 0.840 20 0 GCADMM CCC(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736336677 598263722 /nfs/dbraw/zinc/26/37/22/598263722.db2.gz GBWSTZPMZJJWEK-UHFFFAOYSA-N -1 1 393.473 0.531 20 0 GCADMM CCC(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736336677 598263723 /nfs/dbraw/zinc/26/37/23/598263723.db2.gz GBWSTZPMZJJWEK-UHFFFAOYSA-N -1 1 393.473 0.531 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000738352788 598264820 /nfs/dbraw/zinc/26/48/20/598264820.db2.gz AOKWSXAOBAZZHQ-VXGBXAGGSA-N -1 1 396.498 0.937 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000738352788 598264822 /nfs/dbraw/zinc/26/48/22/598264822.db2.gz AOKWSXAOBAZZHQ-VXGBXAGGSA-N -1 1 396.498 0.937 20 0 GCADMM CCCC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736411413 598265782 /nfs/dbraw/zinc/26/57/82/598265782.db2.gz JDPWHICSDZDBMG-UHFFFAOYSA-N -1 1 379.446 0.331 20 0 GCADMM CCCC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736411413 598265784 /nfs/dbraw/zinc/26/57/84/598265784.db2.gz JDPWHICSDZDBMG-UHFFFAOYSA-N -1 1 379.446 0.331 20 0 GCADMM COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736923259 598267721 /nfs/dbraw/zinc/26/77/21/598267721.db2.gz PEOJSLHOAGIGJM-UHFFFAOYSA-N -1 1 388.409 0.626 20 0 GCADMM COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736923259 598267723 /nfs/dbraw/zinc/26/77/23/598267723.db2.gz PEOJSLHOAGIGJM-UHFFFAOYSA-N -1 1 388.409 0.626 20 0 GCADMM O=S(=O)(NCCN1CCc2sccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340088 598267741 /nfs/dbraw/zinc/26/77/41/598267741.db2.gz WAJFZMKMAMKLHL-UHFFFAOYSA-N -1 1 391.482 0.660 20 0 GCADMM O=S(=O)(NCCN1CCc2sccc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340088 598267743 /nfs/dbraw/zinc/26/77/43/598267743.db2.gz WAJFZMKMAMKLHL-UHFFFAOYSA-N -1 1 391.482 0.660 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NC1CCCCC1 ZINC000737847204 598268002 /nfs/dbraw/zinc/26/80/02/598268002.db2.gz HPFXUNSZYIPUFA-UHFFFAOYSA-N -1 1 379.446 0.379 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NC1CCCCC1 ZINC000737847204 598268004 /nfs/dbraw/zinc/26/80/04/598268004.db2.gz HPFXUNSZYIPUFA-UHFFFAOYSA-N -1 1 379.446 0.379 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc2n1CCCCC2 ZINC000737194541 598269073 /nfs/dbraw/zinc/26/90/73/598269073.db2.gz OBCHKSIHLMUBKG-SNVBAGLBSA-N -1 1 389.445 0.619 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc2n1CCCCC2 ZINC000737194541 598269075 /nfs/dbraw/zinc/26/90/75/598269075.db2.gz OBCHKSIHLMUBKG-SNVBAGLBSA-N -1 1 389.445 0.619 20 0 GCADMM O=S(=O)(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000738329863 598269411 /nfs/dbraw/zinc/26/94/11/598269411.db2.gz LVQSIAJQSGIMPA-UHFFFAOYSA-N -1 1 394.438 0.014 20 0 GCADMM O=S(=O)(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000738329863 598269412 /nfs/dbraw/zinc/26/94/12/598269412.db2.gz LVQSIAJQSGIMPA-UHFFFAOYSA-N -1 1 394.438 0.014 20 0 GCADMM COc1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737090484 598270718 /nfs/dbraw/zinc/27/07/18/598270718.db2.gz PQSMROVTOCLDDG-UHFFFAOYSA-N -1 1 390.425 0.800 20 0 GCADMM COc1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737090484 598270721 /nfs/dbraw/zinc/27/07/21/598270721.db2.gz PQSMROVTOCLDDG-UHFFFAOYSA-N -1 1 390.425 0.800 20 0 GCADMM C[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NC(=O)OC(C)(C)C ZINC000735987114 598271168 /nfs/dbraw/zinc/27/11/68/598271168.db2.gz RWHPASFJDMLRMK-JTQLQIEISA-N -1 1 397.461 0.843 20 0 GCADMM C[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NC(=O)OC(C)(C)C ZINC000735987114 598271169 /nfs/dbraw/zinc/27/11/69/598271169.db2.gz RWHPASFJDMLRMK-JTQLQIEISA-N -1 1 397.461 0.843 20 0 GCADMM COCCNC(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737006610 598297495 /nfs/dbraw/zinc/29/74/95/598297495.db2.gz KVRBYFCMMCPNMX-LLVKDONJSA-N -1 1 388.384 0.867 20 0 GCADMM COCCNC(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737006610 598297497 /nfs/dbraw/zinc/29/74/97/598297497.db2.gz KVRBYFCMMCPNMX-LLVKDONJSA-N -1 1 388.384 0.867 20 0 GCADMM CCCNC(=O)[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736481408 598307485 /nfs/dbraw/zinc/30/74/85/598307485.db2.gz PZRFZIPLICPTDL-NSHDSACASA-N -1 1 376.417 0.975 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)[C@@H]2CCCO2)n(C)c1=O ZINC000737596404 598312702 /nfs/dbraw/zinc/31/27/02/598312702.db2.gz NEFUSUZQNIZVNP-JSGCOSHPSA-N -1 1 383.412 0.596 20 0 GCADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000735563308 598345238 /nfs/dbraw/zinc/34/52/38/598345238.db2.gz SSAIDHLXEKSOHR-GFCCVEGCSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000735563308 598345240 /nfs/dbraw/zinc/34/52/40/598345240.db2.gz SSAIDHLXEKSOHR-GFCCVEGCSA-N -1 1 397.418 0.945 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c(-c2nn[n-]n2)c1C ZINC000737552411 598353744 /nfs/dbraw/zinc/35/37/44/598353744.db2.gz PIJCIKDDHNMPEU-CYBMUJFWSA-N -1 1 386.416 0.613 20 0 GCADMM CCCNC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC000736480279 598356005 /nfs/dbraw/zinc/35/60/05/598356005.db2.gz JKJWLGFQJHUSCQ-UHFFFAOYSA-N -1 1 393.473 0.769 20 0 GCADMM CCCNC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC000736480279 598356007 /nfs/dbraw/zinc/35/60/07/598356007.db2.gz JKJWLGFQJHUSCQ-UHFFFAOYSA-N -1 1 393.473 0.769 20 0 GCADMM COc1ccc(CN2C[C@H](C(=O)n3ncc(-c4nn[n-]n4)c3N)CC2=O)cc1 ZINC000737090035 598358413 /nfs/dbraw/zinc/35/84/13/598358413.db2.gz ACPRBKOTDDXNAY-LLVKDONJSA-N -1 1 382.384 0.343 20 0 GCADMM O=C(N[C@H]1CCCOC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738022426 598374874 /nfs/dbraw/zinc/37/48/74/598374874.db2.gz FPVNKCYSXBJYRW-LBPRGKRZSA-N -1 1 388.432 0.743 20 0 GCADMM CCc1ccccc1NC(=O)CN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000736701695 598383967 /nfs/dbraw/zinc/38/39/67/598383967.db2.gz HBDWKBRHXWWUIN-UHFFFAOYSA-N -1 1 393.455 0.980 20 0 GCADMM CCc1ccccc1NC(=O)CN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000736701695 598383969 /nfs/dbraw/zinc/38/39/69/598383969.db2.gz HBDWKBRHXWWUIN-UHFFFAOYSA-N -1 1 393.455 0.980 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736226123 598385349 /nfs/dbraw/zinc/38/53/49/598385349.db2.gz VNVWQGQJBQQBIU-OKILXGFUSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736226123 598385352 /nfs/dbraw/zinc/38/53/52/598385352.db2.gz VNVWQGQJBQQBIU-OKILXGFUSA-N -1 1 385.476 0.283 20 0 GCADMM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000735467298 598409392 /nfs/dbraw/zinc/40/93/92/598409392.db2.gz MAWMDBPAQKGRKK-SNVBAGLBSA-N -1 1 394.413 0.480 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(-n3ccnn3)cc2)c1-c1nnn[n-]1 ZINC000737777457 598413653 /nfs/dbraw/zinc/41/36/53/598413653.db2.gz YOXQPWRRVMMKOW-UHFFFAOYSA-N -1 1 394.403 0.507 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(-n3ccnn3)cc2)c1-c1nn[n-]n1 ZINC000737777457 598413655 /nfs/dbraw/zinc/41/36/55/598413655.db2.gz YOXQPWRRVMMKOW-UHFFFAOYSA-N -1 1 394.403 0.507 20 0 GCADMM COCc1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1F ZINC000737015360 598469116 /nfs/dbraw/zinc/46/91/16/598469116.db2.gz BXGBSPACPVPLRV-UHFFFAOYSA-N -1 1 375.364 0.162 20 0 GCADMM CC(=O)N[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1c(F)cccc1F ZINC000735473961 598470660 /nfs/dbraw/zinc/47/06/60/598470660.db2.gz DGPRYPFJTVNFEA-NSHDSACASA-N -1 1 376.327 0.831 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CC(Oc3ccncc3)C2)cc1-c1nn[n-]n1 ZINC000737188025 598474099 /nfs/dbraw/zinc/47/40/99/598474099.db2.gz WFRCVIKGZCLMJK-UHFFFAOYSA-N -1 1 385.409 0.988 20 0 GCADMM O=C(COC(=O)[C@@H](O)C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737901780 598475746 /nfs/dbraw/zinc/47/57/46/598475746.db2.gz ZDLCWQGVGXOCBY-AWEZNQCLSA-N -1 1 383.368 0.305 20 0 GCADMM O=C(COC(=O)[C@@H](O)C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737901780 598475747 /nfs/dbraw/zinc/47/57/47/598475747.db2.gz ZDLCWQGVGXOCBY-AWEZNQCLSA-N -1 1 383.368 0.305 20 0 GCADMM CCS(=O)(=O)CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736659476 598499746 /nfs/dbraw/zinc/49/97/46/598499746.db2.gz SEZFRXKKBVKJMJ-UHFFFAOYSA-N -1 1 382.446 0.068 20 0 GCADMM COCCN(Cc1cccnc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737006394 598541018 /nfs/dbraw/zinc/54/10/18/598541018.db2.gz HUDZRARZJADMOZ-UHFFFAOYSA-N -1 1 375.414 0.494 20 0 GCADMM COCCN(Cc1cccnc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737006394 598541020 /nfs/dbraw/zinc/54/10/20/598541020.db2.gz HUDZRARZJADMOZ-UHFFFAOYSA-N -1 1 375.414 0.494 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCNC(=O)[C@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000737188048 598542310 /nfs/dbraw/zinc/54/23/10/598542310.db2.gz WVLWKWUQZYBHNM-SNVBAGLBSA-N -1 1 377.430 0.286 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCC(=O)NC(C)(C)C ZINC000737199835 598550051 /nfs/dbraw/zinc/55/00/51/598550051.db2.gz JQQSZMVMUITRGE-UHFFFAOYSA-N -1 1 389.460 0.938 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCOC[C@H]1CCOC1 ZINC000737201532 598590912 /nfs/dbraw/zinc/59/09/12/598590912.db2.gz UDZOWADTSIJBSL-ZDUSSCGKSA-N -1 1 390.444 0.686 20 0 GCADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000737769438 598593896 /nfs/dbraw/zinc/59/38/96/598593896.db2.gz JYELYUQZIAUVTK-UHFFFAOYSA-N -1 1 398.401 0.454 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCN1CCOC1=O ZINC000737199625 598611477 /nfs/dbraw/zinc/61/14/77/598611477.db2.gz IPEVKQIZSWQXQO-UHFFFAOYSA-N -1 1 389.416 0.475 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n([C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000736941073 598613907 /nfs/dbraw/zinc/61/39/07/598613907.db2.gz NYNBAZKCPOWBBZ-SECBINFHSA-N -1 1 386.290 0.151 20 0 GCADMM COc1cccc2c1OC[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000737141836 598616286 /nfs/dbraw/zinc/61/62/86/598616286.db2.gz DMXSIGCVPRWNOJ-LLVKDONJSA-N -1 1 388.409 0.552 20 0 GCADMM COc1cccc2c1OC[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000737141836 598616287 /nfs/dbraw/zinc/61/62/87/598616287.db2.gz DMXSIGCVPRWNOJ-LLVKDONJSA-N -1 1 388.409 0.552 20 0 GCADMM CCc1nn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705526 598640198 /nfs/dbraw/zinc/64/01/98/598640198.db2.gz JTZOZLKJDWPCMP-GHMZBOCLSA-N -1 1 375.433 0.184 20 0 GCADMM CCc1nn(CN2C(=O)c3ccccc3C2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705929 598642185 /nfs/dbraw/zinc/64/21/85/598642185.db2.gz CSMBNSBJPMOAEL-UHFFFAOYSA-N -1 1 379.380 0.802 20 0 GCADMM CCc1nn(Cc2nc3ccccc3c(=O)n2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707835 598642430 /nfs/dbraw/zinc/64/24/30/598642430.db2.gz UUAXIOCMBONSCU-UHFFFAOYSA-N -1 1 392.423 0.843 20 0 GCADMM CCc1nn(Cc2cc(=O)n3cccc(C)c3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708419 598643923 /nfs/dbraw/zinc/64/39/23/598643923.db2.gz WPFVGFMZZGVQLK-UHFFFAOYSA-N -1 1 392.423 0.913 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1nccn1C ZINC000737488198 598670701 /nfs/dbraw/zinc/67/07/01/598670701.db2.gz QWUKEYBLVCDCRI-UHFFFAOYSA-N -1 1 380.416 0.509 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1nccn1C ZINC000737488198 598670702 /nfs/dbraw/zinc/67/07/02/598670702.db2.gz QWUKEYBLVCDCRI-UHFFFAOYSA-N -1 1 380.416 0.509 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000737986286 598676258 /nfs/dbraw/zinc/67/62/58/598676258.db2.gz HEJGMPBPARCXHX-UHFFFAOYSA-N -1 1 381.396 0.504 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000737987312 598676556 /nfs/dbraw/zinc/67/65/56/598676556.db2.gz VAIJDDZQIVXVNJ-UHFFFAOYSA-N -1 1 376.279 0.989 20 0 GCADMM CCc1cccc2c(CCNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)c[nH]c21 ZINC000736694743 598678731 /nfs/dbraw/zinc/67/87/31/598678731.db2.gz BEJJAPANYUPZKQ-UHFFFAOYSA-N -1 1 394.439 0.962 20 0 GCADMM Cn1cnnc1C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737619048 598690871 /nfs/dbraw/zinc/69/08/71/598690871.db2.gz PUMFNVDZFNYRLD-UHFFFAOYSA-N -1 1 392.420 0.703 20 0 GCADMM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735474364 598692735 /nfs/dbraw/zinc/69/27/35/598692735.db2.gz IOYXDKBQNDHBSH-NSHDSACASA-N -1 1 382.421 0.543 20 0 GCADMM NC(=O)Cc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737760229 598693814 /nfs/dbraw/zinc/69/38/14/598693814.db2.gz XWHDXWLXSVJNCV-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@H]1C1OCCO1 ZINC000738356232 598694472 /nfs/dbraw/zinc/69/44/72/598694472.db2.gz ZNSHFHWDYIVEOK-ZDUSSCGKSA-N -1 1 383.405 0.922 20 0 GCADMM CNC(=O)[C@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000736871940 598694910 /nfs/dbraw/zinc/69/49/10/598694910.db2.gz USKGWJMJSLESQZ-LBPRGKRZSA-N -1 1 387.444 0.501 20 0 GCADMM CCCN(CC(=O)OC)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736469174 598701887 /nfs/dbraw/zinc/70/18/87/598701887.db2.gz HRYFPMOMGMKDOK-UHFFFAOYSA-N -1 1 376.417 0.928 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735626355 598710666 /nfs/dbraw/zinc/71/06/66/598710666.db2.gz IPKUTTPSDQVUSZ-SNVBAGLBSA-N -1 1 395.445 0.549 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735626355 598710667 /nfs/dbraw/zinc/71/06/67/598710667.db2.gz IPKUTTPSDQVUSZ-SNVBAGLBSA-N -1 1 395.445 0.549 20 0 GCADMM CC[C@@H](C)[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)C(=O)OC ZINC000736328862 598719391 /nfs/dbraw/zinc/71/93/91/598719391.db2.gz IJAYYGKKKGAOHN-BZNIZROVSA-N -1 1 398.423 0.886 20 0 GCADMM COC[C@@H](C)NC(=O)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736969061 598719474 /nfs/dbraw/zinc/71/94/74/598719474.db2.gz JVDHFEMZZNKXHM-SNVBAGLBSA-N -1 1 385.384 0.042 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)cc2C(=O)OC)c1 ZINC000736938772 598733261 /nfs/dbraw/zinc/73/32/61/598733261.db2.gz BUAUVIXHEAFAHT-UHFFFAOYSA-N -1 1 387.327 0.789 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCN(C)CC(F)(F)F)cc1-c1nn[n-]n1 ZINC000737186565 598759437 /nfs/dbraw/zinc/75/94/37/598759437.db2.gz JRJZHLKSRXSPFM-UHFFFAOYSA-N -1 1 391.379 0.913 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(CCO)Cc1cccnc1 ZINC000822004215 607366278 /nfs/dbraw/zinc/36/62/78/607366278.db2.gz COYORHJHMPWDME-UHFFFAOYSA-N -1 1 397.439 0.933 20 0 GCADMM CC(=O)Nc1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735485335 598767813 /nfs/dbraw/zinc/76/78/13/598767813.db2.gz TYPNTZKUXWLGEX-UHFFFAOYSA-N -1 1 387.425 0.741 20 0 GCADMM CC(=O)Nc1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735485335 598767814 /nfs/dbraw/zinc/76/78/14/598767814.db2.gz TYPNTZKUXWLGEX-UHFFFAOYSA-N -1 1 387.425 0.741 20 0 GCADMM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NCCN1CCSCC1 ZINC000737202283 598767832 /nfs/dbraw/zinc/76/78/32/598767832.db2.gz ZRXGHOJJWZXAJY-UHFFFAOYSA-N -1 1 391.501 0.682 20 0 GCADMM COC(=O)CCc1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000736919348 598797460 /nfs/dbraw/zinc/79/74/60/598797460.db2.gz PAIMRNVSZFTWCL-UHFFFAOYSA-N -1 1 385.384 0.113 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCNC(=O)OCC(F)(F)F)c1 ZINC000736941294 598803601 /nfs/dbraw/zinc/80/36/01/598803601.db2.gz RRHOWTSTITZJDX-UHFFFAOYSA-N -1 1 390.278 0.104 20 0 GCADMM CNC(=O)CCCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736870198 598812179 /nfs/dbraw/zinc/81/21/79/598812179.db2.gz FTZPFHFDYVBSLP-UHFFFAOYSA-N -1 1 385.432 0.101 20 0 GCADMM CNC(=O)CCCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736870198 598812181 /nfs/dbraw/zinc/81/21/81/598812181.db2.gz FTZPFHFDYVBSLP-UHFFFAOYSA-N -1 1 385.432 0.101 20 0 GCADMM C[C@H](c1ccc(F)c(F)c1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736197869 598814398 /nfs/dbraw/zinc/81/43/98/598814398.db2.gz CMCVVFFELRJMCC-MRVPVSSYSA-N -1 1 377.355 0.740 20 0 GCADMM CC(=O)N[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc(F)cc1F ZINC000819802455 599315789 /nfs/dbraw/zinc/31/57/89/599315789.db2.gz BYKHPEBDITWPRI-GFCCVEGCSA-N -1 1 376.327 0.831 20 0 GCADMM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000822207256 599316206 /nfs/dbraw/zinc/31/62/06/599316206.db2.gz PPYAXGJKZKAMQF-UHFFFAOYSA-N -1 1 388.413 0.182 20 0 GCADMM CNC(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821635377 599335934 /nfs/dbraw/zinc/33/59/34/599335934.db2.gz ZGOSKLJNUPVAGL-UHFFFAOYSA-N -1 1 390.400 0.844 20 0 GCADMM CNC(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821635377 599335936 /nfs/dbraw/zinc/33/59/36/599335936.db2.gz ZGOSKLJNUPVAGL-UHFFFAOYSA-N -1 1 390.400 0.844 20 0 GCADMM CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCN1CCOC ZINC000820995874 599344926 /nfs/dbraw/zinc/34/49/26/599344926.db2.gz ZHBHUULFPKKXED-LBPRGKRZSA-N -1 1 398.464 0.737 20 0 GCADMM CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCN1CCOC ZINC000820995874 599344928 /nfs/dbraw/zinc/34/49/28/599344928.db2.gz ZHBHUULFPKKXED-LBPRGKRZSA-N -1 1 398.464 0.737 20 0 GCADMM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000821641241 599359510 /nfs/dbraw/zinc/35/95/10/599359510.db2.gz YWIKDRGOKMUIFM-ZDUSSCGKSA-N -1 1 388.409 0.497 20 0 GCADMM COC(=O)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000821641241 599359513 /nfs/dbraw/zinc/35/95/13/599359513.db2.gz YWIKDRGOKMUIFM-ZDUSSCGKSA-N -1 1 388.409 0.497 20 0 GCADMM O=S(=O)(NC[C@H]1OCCc2sccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573584 599367716 /nfs/dbraw/zinc/36/77/16/599367716.db2.gz XFFSSURVINFUDN-GFCCVEGCSA-N -1 1 378.439 0.916 20 0 GCADMM O=S(=O)(NC[C@H]1OCCc2sccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573584 599367718 /nfs/dbraw/zinc/36/77/18/599367718.db2.gz XFFSSURVINFUDN-GFCCVEGCSA-N -1 1 378.439 0.916 20 0 GCADMM O=C1NCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1cccs1 ZINC000823547840 599373502 /nfs/dbraw/zinc/37/35/02/599373502.db2.gz PLVJTWJJCBSAFJ-LBPRGKRZSA-N -1 1 391.438 0.185 20 0 GCADMM O=C1NCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1cccs1 ZINC000823547840 599373504 /nfs/dbraw/zinc/37/35/04/599373504.db2.gz PLVJTWJJCBSAFJ-LBPRGKRZSA-N -1 1 391.438 0.185 20 0 GCADMM O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737792420 599395080 /nfs/dbraw/zinc/39/50/80/599395080.db2.gz OIGONJVETSCEHW-INIZCTEOSA-N -1 1 393.407 0.750 20 0 GCADMM O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737792420 599395084 /nfs/dbraw/zinc/39/50/84/599395084.db2.gz OIGONJVETSCEHW-INIZCTEOSA-N -1 1 393.407 0.750 20 0 GCADMM Cc1oc(NC(=O)CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000737551850 599448271 /nfs/dbraw/zinc/44/82/71/599448271.db2.gz JZDXXLUHZHZHTB-GXSJLCMTSA-N -1 1 382.446 0.522 20 0 GCADMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736224801 599451548 /nfs/dbraw/zinc/45/15/48/599451548.db2.gz NPRAKZLDCHKWBF-BDAKNGLRSA-N -1 1 389.434 0.202 20 0 GCADMM C[C@H](Cc1ccc(Cl)cc1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736055209 599471974 /nfs/dbraw/zinc/47/19/74/599471974.db2.gz CRWJOLUOWLKBCN-SNVBAGLBSA-N -1 1 389.847 0.985 20 0 GCADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736237510 599473947 /nfs/dbraw/zinc/47/39/47/599473947.db2.gz WXPWOIJPPJDIAP-PWSUYJOCSA-N -1 1 385.403 0.786 20 0 GCADMM Cc1nn(CCOc2cccc(S(C)(=O)=O)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737516472 599521260 /nfs/dbraw/zinc/52/12/60/599521260.db2.gz FBPRTEKJJRDKIU-UHFFFAOYSA-N -1 1 390.425 0.523 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nn1 ZINC000737068087 599565644 /nfs/dbraw/zinc/56/56/44/599565644.db2.gz ZUKNBRMEUBKKLL-UHFFFAOYSA-N -1 1 397.399 0.493 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000737549736 599572614 /nfs/dbraw/zinc/57/26/14/599572614.db2.gz YCMZYRWWDFCFBF-SNVBAGLBSA-N -1 1 390.425 0.818 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000737549736 599572616 /nfs/dbraw/zinc/57/26/16/599572616.db2.gz YCMZYRWWDFCFBF-SNVBAGLBSA-N -1 1 390.425 0.818 20 0 GCADMM CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736747644 599593669 /nfs/dbraw/zinc/59/36/69/599593669.db2.gz UDHTYOVUNXUEAF-UHFFFAOYSA-N -1 1 392.363 0.594 20 0 GCADMM O=S(=O)(NCc1n[nH]cc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338979 599594324 /nfs/dbraw/zinc/59/43/24/599594324.db2.gz PZIZNXKOIHUJPO-UHFFFAOYSA-N -1 1 385.207 0.226 20 0 GCADMM O=S(=O)(NCc1n[nH]cc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338979 599594325 /nfs/dbraw/zinc/59/43/25/599594325.db2.gz PZIZNXKOIHUJPO-UHFFFAOYSA-N -1 1 385.207 0.226 20 0 GCADMM CC[C@H](COC)NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736350802 599602079 /nfs/dbraw/zinc/60/20/79/599602079.db2.gz BWJNMHLDRHTTMZ-GFCCVEGCSA-N -1 1 390.448 0.989 20 0 GCADMM Cc1cn2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2n1 ZINC000737445978 599612073 /nfs/dbraw/zinc/61/20/73/599612073.db2.gz MRTYJPOZPXGBFF-UHFFFAOYSA-N -1 1 381.404 0.882 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)CC3CCC3)CC2)o1 ZINC000822423118 599670267 /nfs/dbraw/zinc/67/02/67/599670267.db2.gz HUHDLXDDRSPOAS-UHFFFAOYSA-N -1 1 389.416 0.545 20 0 GCADMM Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnc[nH]3)CC2)c1C(=O)[O-] ZINC000738966317 599739755 /nfs/dbraw/zinc/73/97/55/599739755.db2.gz RNGFGGQVQBMHIZ-UHFFFAOYSA-N -1 1 382.398 0.464 20 0 GCADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)cnc21 ZINC000068321579 599752583 /nfs/dbraw/zinc/75/25/83/599752583.db2.gz UYSRWJPHAUWBRD-UHFFFAOYSA-N -1 1 376.350 0.121 20 0 GCADMM CN(C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCO1)c1cccnn1 ZINC000821597769 607395404 /nfs/dbraw/zinc/39/54/04/607395404.db2.gz GTHLYOUEXOOZMN-NSHDSACASA-N -1 1 386.441 0.696 20 0 GCADMM CN(C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCO1)c1cccnn1 ZINC000821597769 607395406 /nfs/dbraw/zinc/39/54/06/607395406.db2.gz GTHLYOUEXOOZMN-NSHDSACASA-N -1 1 386.441 0.696 20 0 GCADMM CC(C)(O)CN1CCN(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000736341386 599836657 /nfs/dbraw/zinc/83/66/57/599836657.db2.gz YYLQBDGIJWPYHY-UHFFFAOYSA-N -1 1 392.456 0.812 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2sc(Br)cc2C1 ZINC000823127175 607407885 /nfs/dbraw/zinc/40/78/85/607407885.db2.gz VXCYKHCVUZPHGE-UHFFFAOYSA-N -1 1 395.246 0.867 20 0 GCADMM Cc1nc(CN2CCC[C@@H](N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)no1 ZINC000738856759 599962925 /nfs/dbraw/zinc/96/29/25/599962925.db2.gz GLZVYAGOYCTGFD-HUUCEWRRSA-N -1 1 381.477 0.890 20 0 GCADMM Cc1nc(CN2CCC[C@H](N(C)[C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2)no1 ZINC000738349390 599962995 /nfs/dbraw/zinc/96/29/95/599962995.db2.gz QEYBZUJHWOCKTH-CJNGLKHVSA-N -1 1 393.488 0.986 20 0 GCADMM CN1CCN(C[C@@H]2CN(CC(=O)Nc3ccsc3C(=O)[O-])CCO2)CC1 ZINC000737526918 599970678 /nfs/dbraw/zinc/97/06/78/599970678.db2.gz ZHTVBCUNWBTVPA-CYBMUJFWSA-N -1 1 382.486 0.333 20 0 GCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000738530557 599971652 /nfs/dbraw/zinc/97/16/52/599971652.db2.gz FIPAUVXPQVSCGE-QGZVFWFLSA-N -1 1 390.484 0.580 20 0 GCADMM C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736761285 600030569 /nfs/dbraw/zinc/03/05/69/600030569.db2.gz GOIDSWSXSOHAKD-IIYDPXPESA-N -1 1 386.452 0.866 20 0 GCADMM CN(C1CCN(CCn2cccn2)CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737388365 600084112 /nfs/dbraw/zinc/08/41/12/600084112.db2.gz YJJGBBNLKUCBSX-UHFFFAOYSA-N -1 1 399.517 0.321 20 0 GCADMM O=C([O-])CCNC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000739734428 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C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000828516619 601940702 /nfs/dbraw/zinc/94/07/02/601940702.db2.gz PDZWBQHDZLWJOO-GTNSWQLSSA-N -1 1 381.454 0.408 20 0 GCADMM CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000829069891 601940808 /nfs/dbraw/zinc/94/08/08/601940808.db2.gz VGANOGNEOMSPCO-RBUKOAKNSA-N -1 1 388.424 0.672 20 0 GCADMM Cc1ccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC000832943516 601945142 /nfs/dbraw/zinc/94/51/42/601945142.db2.gz DHWLXARWAVQFCY-QGZVFWFLSA-N -1 1 383.470 0.980 20 0 GCADMM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1OC ZINC000831886744 601977133 /nfs/dbraw/zinc/97/71/33/601977133.db2.gz GPBWWTQTOBHPCZ-IINYFYTJSA-N -1 1 391.424 0.939 20 0 GCADMM COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1OC ZINC000831886745 601977336 /nfs/dbraw/zinc/97/73/36/601977336.db2.gz GPBWWTQTOBHPCZ-QMTHXVAHSA-N -1 1 391.424 0.939 20 0 GCADMM C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844043 607538769 /nfs/dbraw/zinc/53/87/69/607538769.db2.gz NNCXFJXUEOBXSU-GOSISDBHSA-N -1 1 393.363 0.958 20 0 GCADMM C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844043 607538772 /nfs/dbraw/zinc/53/87/72/607538772.db2.gz NNCXFJXUEOBXSU-GOSISDBHSA-N -1 1 393.363 0.958 20 0 GCADMM C[C@@]1(C(=O)[O-])CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)C1 ZINC000827995551 602067565 /nfs/dbraw/zinc/06/75/65/602067565.db2.gz AKSCHODEEMOGQX-LJQANCHMSA-N -1 1 390.488 0.885 20 0 GCADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000829955696 602072792 /nfs/dbraw/zinc/07/27/92/602072792.db2.gz ROWWVBADEOHGAT-CQSZACIVSA-N -1 1 375.381 0.206 20 0 GCADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O ZINC000829955197 602073048 /nfs/dbraw/zinc/07/30/48/602073048.db2.gz MYWBTENZSWPWKR-GFCCVEGCSA-N -1 1 375.385 0.438 20 0 GCADMM CN(C)C(=O)CCN1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000830547395 602238804 /nfs/dbraw/zinc/23/88/04/602238804.db2.gz OJOWRPBXGARPTD-MRXNPFEDSA-N -1 1 379.457 0.220 20 0 GCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(CCC(=O)N(C)C)CC1 ZINC000832915464 602239848 /nfs/dbraw/zinc/23/98/48/602239848.db2.gz JOHGEDHWFHDLCH-UHFFFAOYSA-N -1 1 376.457 0.728 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC000825000218 607570219 /nfs/dbraw/zinc/57/02/19/607570219.db2.gz OGIHAHIBVVTIOH-CHWSQXEVSA-N -1 1 394.443 0.153 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC000825000218 607570221 /nfs/dbraw/zinc/57/02/21/607570221.db2.gz OGIHAHIBVVTIOH-CHWSQXEVSA-N -1 1 394.443 0.153 20 0 GCADMM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825394429 607576868 /nfs/dbraw/zinc/57/68/68/607576868.db2.gz CLZRSGNITAKTHD-SNVBAGLBSA-N -1 1 389.434 0.204 20 0 GCADMM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826393558 607579329 /nfs/dbraw/zinc/57/93/29/607579329.db2.gz YCSIDRDVRUUHDH-UHFFFAOYSA-N -1 1 376.373 0.583 20 0 GCADMM CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824304590 607579553 /nfs/dbraw/zinc/57/95/53/607579553.db2.gz BYRAKCXUCYXESZ-UHFFFAOYSA-N -1 1 392.363 0.688 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)NCc1ccco1 ZINC000826413235 607581064 /nfs/dbraw/zinc/58/10/64/607581064.db2.gz XDCXTLWZIZGOBG-UHFFFAOYSA-N -1 1 380.361 0.194 20 0 GCADMM CC(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCOCC1 ZINC000824191079 607581573 /nfs/dbraw/zinc/58/15/73/607581573.db2.gz CPFKWDMSCYYCAL-CYBMUJFWSA-N -1 1 398.464 0.641 20 0 GCADMM CC(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)N1CCOCC1 ZINC000824191079 607581575 /nfs/dbraw/zinc/58/15/75/607581575.db2.gz CPFKWDMSCYYCAL-CYBMUJFWSA-N -1 1 398.464 0.641 20 0 GCADMM NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826388736 607582341 /nfs/dbraw/zinc/58/23/41/607582341.db2.gz ICFZLJPFSCODHA-ZDUSSCGKSA-N -1 1 376.373 0.511 20 0 GCADMM CNC(=O)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826073240 607583481 /nfs/dbraw/zinc/58/34/81/607583481.db2.gz LDDRNTISWZXZQT-UHFFFAOYSA-N -1 1 390.400 0.844 20 0 GCADMM CNC(=O)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826073240 607583482 /nfs/dbraw/zinc/58/34/82/607583482.db2.gz LDDRNTISWZXZQT-UHFFFAOYSA-N -1 1 390.400 0.844 20 0 GCADMM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826429083 607583842 /nfs/dbraw/zinc/58/38/42/607583842.db2.gz UDIXILWVXYFNKY-LLVKDONJSA-N -1 1 380.405 0.438 20 0 GCADMM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826429083 607583843 /nfs/dbraw/zinc/58/38/43/607583843.db2.gz UDIXILWVXYFNKY-LLVKDONJSA-N -1 1 380.405 0.438 20 0 GCADMM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824909759 607592295 /nfs/dbraw/zinc/59/22/95/607592295.db2.gz UNXDBHDUZOMACZ-BDAKNGLRSA-N -1 1 384.849 0.795 20 0 GCADMM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824909759 607592296 /nfs/dbraw/zinc/59/22/96/607592296.db2.gz UNXDBHDUZOMACZ-BDAKNGLRSA-N -1 1 384.849 0.795 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)c2ccccc2C1=O ZINC000824052781 607593112 /nfs/dbraw/zinc/59/31/12/607593112.db2.gz RKWHBHIWUYMMFD-JTQLQIEISA-N -1 1 378.348 0.990 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)c2ccccc2C1=O ZINC000824052781 607593113 /nfs/dbraw/zinc/59/31/13/607593113.db2.gz RKWHBHIWUYMMFD-JTQLQIEISA-N -1 1 378.348 0.990 20 0 GCADMM CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823967082 607598303 /nfs/dbraw/zinc/59/83/03/607598303.db2.gz ILGRPLWBSWSOIB-UHFFFAOYSA-N -1 1 382.421 0.637 20 0 GCADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc(S(N)(=O)=O)c1C ZINC000826261550 607599846 /nfs/dbraw/zinc/59/98/46/607599846.db2.gz JMHOMVBSEQUDNM-UHFFFAOYSA-N -1 1 388.409 0.883 20 0 GCADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc(S(N)(=O)=O)c1C ZINC000826261550 607599848 /nfs/dbraw/zinc/59/98/48/607599848.db2.gz JMHOMVBSEQUDNM-UHFFFAOYSA-N -1 1 388.409 0.883 20 0 GCADMM C[C@@](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)(C(N)=O)c1ccccc1 ZINC000824640356 607601895 /nfs/dbraw/zinc/60/18/95/607601895.db2.gz HBJFLZNFRIYLIE-INIZCTEOSA-N -1 1 390.400 0.685 20 0 GCADMM C[C@@](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)(C(N)=O)c1ccccc1 ZINC000824640356 607601896 /nfs/dbraw/zinc/60/18/96/607601896.db2.gz HBJFLZNFRIYLIE-INIZCTEOSA-N -1 1 390.400 0.685 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Nc1cccnc1 ZINC000826412958 607603618 /nfs/dbraw/zinc/60/36/18/607603618.db2.gz KVSGBYDOKVLXIS-UHFFFAOYSA-N -1 1 377.361 0.318 20 0 GCADMM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825841269 607604894 /nfs/dbraw/zinc/60/48/94/607604894.db2.gz UNUBPWDUOIJDQC-VIFPVBQESA-N -1 1 386.434 0.158 20 0 GCADMM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825841269 607604895 /nfs/dbraw/zinc/60/48/95/607604895.db2.gz UNUBPWDUOIJDQC-VIFPVBQESA-N -1 1 386.434 0.158 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Nc1cccnc1 ZINC000826408018 607605441 /nfs/dbraw/zinc/60/54/41/607605441.db2.gz MPZJVMLEWWZIDQ-UHFFFAOYSA-N -1 1 391.388 0.708 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](C2OCCO2)C1 ZINC000826495235 607606176 /nfs/dbraw/zinc/60/61/76/607606176.db2.gz HYANRUBRMSBNOL-SNVBAGLBSA-N -1 1 383.405 0.779 20 0 GCADMM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826157563 607609672 /nfs/dbraw/zinc/60/96/72/607609672.db2.gz ATGSTGIJIDBPHD-MRVPVSSYSA-N -1 1 388.837 0.031 20 0 GCADMM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826157563 607609673 /nfs/dbraw/zinc/60/96/73/607609673.db2.gz ATGSTGIJIDBPHD-MRVPVSSYSA-N -1 1 388.837 0.031 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H](C)N1CCOCC1 ZINC000824640209 607609922 /nfs/dbraw/zinc/60/99/22/607609922.db2.gz CWSLKGFCQRAENX-MNOVXSKESA-N -1 1 384.437 0.393 20 0 GCADMM O=C1CCCCN1CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826479640 607610332 /nfs/dbraw/zinc/61/03/32/607610332.db2.gz DNXSUDIGBZBJIQ-UHFFFAOYSA-N -1 1 382.421 0.687 20 0 GCADMM O=C1CCCCN1CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826479640 607610334 /nfs/dbraw/zinc/61/03/34/607610334.db2.gz DNXSUDIGBZBJIQ-UHFFFAOYSA-N -1 1 382.421 0.687 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nnc2n1CCC2 ZINC000824640623 607611101 /nfs/dbraw/zinc/61/11/01/607611101.db2.gz MMDPDKNNBNFVFR-QMMMGPOBSA-N -1 1 378.393 0.583 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nnc2n1CCC2 ZINC000824640623 607611103 /nfs/dbraw/zinc/61/11/03/607611103.db2.gz MMDPDKNNBNFVFR-QMMMGPOBSA-N -1 1 378.393 0.583 20 0 GCADMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)sc1S(N)(=O)=O ZINC000826177344 607611458 /nfs/dbraw/zinc/61/14/58/607611458.db2.gz DYEFPMCAXSZYMP-UHFFFAOYSA-N -1 1 396.410 0.336 20 0 GCADMM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489035 607616057 /nfs/dbraw/zinc/61/60/57/607616057.db2.gz GIHOZPPDJLRHIN-MRVPVSSYSA-N -1 1 380.821 0.405 20 0 GCADMM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489035 607616058 /nfs/dbraw/zinc/61/60/58/607616058.db2.gz GIHOZPPDJLRHIN-MRVPVSSYSA-N -1 1 380.821 0.405 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCS1(=O)=O ZINC000824991687 607619706 /nfs/dbraw/zinc/61/97/06/607619706.db2.gz FDTKFJOJBKVWOX-QMMMGPOBSA-N -1 1 391.862 0.328 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCS1(=O)=O ZINC000824991687 607619708 /nfs/dbraw/zinc/61/97/08/607619708.db2.gz FDTKFJOJBKVWOX-QMMMGPOBSA-N -1 1 391.862 0.328 20 0 GCADMM CCc1ncc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000825749304 607619809 /nfs/dbraw/zinc/61/98/09/607619809.db2.gz BNJFNQBDPNATFW-LLVKDONJSA-N -1 1 395.431 0.752 20 0 GCADMM CCc1ncc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000825749304 607619811 /nfs/dbraw/zinc/61/98/11/607619811.db2.gz BNJFNQBDPNATFW-LLVKDONJSA-N -1 1 395.431 0.752 20 0 GCADMM CN1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737530793 603312907 /nfs/dbraw/zinc/31/29/07/603312907.db2.gz WXILRSGVPFXBKW-AWEZNQCLSA-N -1 1 389.456 0.636 20 0 GCADMM COc1cc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1O ZINC000826179428 607622593 /nfs/dbraw/zinc/62/25/93/607622593.db2.gz NZCPOLGWYNYUCU-UHFFFAOYSA-N -1 1 376.398 0.797 20 0 GCADMM COc1cc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1O ZINC000826179428 607622595 /nfs/dbraw/zinc/62/25/95/607622595.db2.gz NZCPOLGWYNYUCU-UHFFFAOYSA-N -1 1 376.398 0.797 20 0 GCADMM COc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826188962 607626126 /nfs/dbraw/zinc/62/61/26/607626126.db2.gz KMOGVVGTTLKICN-AWEZNQCLSA-N -1 1 376.398 0.282 20 0 GCADMM COc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826188962 607626127 /nfs/dbraw/zinc/62/61/27/607626127.db2.gz KMOGVVGTTLKICN-AWEZNQCLSA-N -1 1 376.398 0.282 20 0 GCADMM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489065 607627242 /nfs/dbraw/zinc/62/72/42/607627242.db2.gz GXZMODWHUZHYQQ-LBPRGKRZSA-N -1 1 393.400 0.724 20 0 GCADMM CC(C)(O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824172371 607630151 /nfs/dbraw/zinc/63/01/51/607630151.db2.gz LZNPIFNYUBWINT-UHFFFAOYSA-N -1 1 384.437 0.083 20 0 GCADMM CC(C)(O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824172371 607630153 /nfs/dbraw/zinc/63/01/53/607630153.db2.gz LZNPIFNYUBWINT-UHFFFAOYSA-N -1 1 384.437 0.083 20 0 GCADMM COc1cccc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826215109 607630897 /nfs/dbraw/zinc/63/08/97/607630897.db2.gz HDGAFFGBRNIQSH-AWEZNQCLSA-N -1 1 376.398 0.282 20 0 GCADMM COc1cccc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826215109 607630898 /nfs/dbraw/zinc/63/08/98/607630898.db2.gz HDGAFFGBRNIQSH-AWEZNQCLSA-N -1 1 376.398 0.282 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000826494900 607638855 /nfs/dbraw/zinc/63/88/55/607638855.db2.gz UKSCRENAWDVWJR-MRXNPFEDSA-N -1 1 386.437 0.932 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000826494900 607638857 /nfs/dbraw/zinc/63/88/57/607638857.db2.gz UKSCRENAWDVWJR-MRXNPFEDSA-N -1 1 386.437 0.932 20 0 GCADMM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826218557 607639881 /nfs/dbraw/zinc/63/98/81/607639881.db2.gz GGSKSSSPSWVKEU-CYBMUJFWSA-N -1 1 376.398 0.282 20 0 GCADMM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826218557 607639882 /nfs/dbraw/zinc/63/98/82/607639882.db2.gz GGSKSSSPSWVKEU-CYBMUJFWSA-N -1 1 376.398 0.282 20 0 GCADMM NC(=O)COc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826391207 607640371 /nfs/dbraw/zinc/64/03/71/607640371.db2.gz AQUOLKPEIZCJHE-UHFFFAOYSA-N -1 1 375.366 0.499 20 0 GCADMM O=S(=O)(NCC1(O)Cc2ccccc2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490338 607640388 /nfs/dbraw/zinc/64/03/88/607640388.db2.gz RNEQNFOTONACDB-UHFFFAOYSA-N -1 1 389.412 0.814 20 0 GCADMM O=S(=O)(NCC1(O)Cc2ccccc2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490338 607640390 /nfs/dbraw/zinc/64/03/90/607640390.db2.gz RNEQNFOTONACDB-UHFFFAOYSA-N -1 1 389.412 0.814 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOC[C@H]1C(F)(F)F ZINC000826495458 607641034 /nfs/dbraw/zinc/64/10/34/607641034.db2.gz PNWMXKVUOIRRGY-JTQLQIEISA-N -1 1 381.311 0.958 20 0 GCADMM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000825399125 607641596 /nfs/dbraw/zinc/64/15/96/607641596.db2.gz JSHNUCNWCCPBFN-NSHDSACASA-N -1 1 382.446 0.524 20 0 GCADMM C[C@H](Oc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1)C(N)=O ZINC000824738739 607646104 /nfs/dbraw/zinc/64/61/04/607646104.db2.gz QYFFNVBXXZKGHO-JTQLQIEISA-N -1 1 389.393 0.887 20 0 GCADMM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1=O ZINC000824900974 607653500 /nfs/dbraw/zinc/65/35/00/607653500.db2.gz XBAAANGYSLJUGA-KKZNHRDASA-N -1 1 396.860 0.808 20 0 GCADMM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1=O ZINC000824900974 607653501 /nfs/dbraw/zinc/65/35/01/607653501.db2.gz XBAAANGYSLJUGA-KKZNHRDASA-N -1 1 396.860 0.808 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1CN1CCOCC1 ZINC000826495628 607651469 /nfs/dbraw/zinc/65/14/69/607651469.db2.gz VHNFDUCDDLREED-CYBMUJFWSA-N -1 1 396.448 0.491 20 0 GCADMM O=C1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CN1C1CC1 ZINC000826479291 607661430 /nfs/dbraw/zinc/66/14/30/607661430.db2.gz VMZYELBKFDTMQC-QMMMGPOBSA-N -1 1 382.833 0.562 20 0 GCADMM O=C1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CN1C1CC1 ZINC000826479291 607661432 /nfs/dbraw/zinc/66/14/32/607661432.db2.gz VMZYELBKFDTMQC-QMMMGPOBSA-N -1 1 382.833 0.562 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](O)c1cccc(F)c1 ZINC000824641636 607661850 /nfs/dbraw/zinc/66/18/50/607661850.db2.gz XXMCBWNDXHSJAW-YMTOWFKASA-N -1 1 378.389 0.801 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](O)c1cccc(F)c1 ZINC000824641636 607661852 /nfs/dbraw/zinc/66/18/52/607661852.db2.gz XXMCBWNDXHSJAW-YMTOWFKASA-N -1 1 378.389 0.801 20 0 GCADMM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826149011 607663234 /nfs/dbraw/zinc/66/32/34/607663234.db2.gz XEYIJDSLVLEEKK-CQSZACIVSA-N -1 1 387.393 0.252 20 0 GCADMM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826149011 607663236 /nfs/dbraw/zinc/66/32/36/607663236.db2.gz XEYIJDSLVLEEKK-CQSZACIVSA-N -1 1 387.393 0.252 20 0 GCADMM Cc1nc2n(n1)CCN(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C2 ZINC000826328888 607664790 /nfs/dbraw/zinc/66/47/90/607664790.db2.gz IRAIWTOGKZWLOU-UHFFFAOYSA-N -1 1 380.821 0.625 20 0 GCADMM Cc1nc2n(n1)CCN(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C2 ZINC000826328888 607664792 /nfs/dbraw/zinc/66/47/92/607664792.db2.gz IRAIWTOGKZWLOU-UHFFFAOYSA-N -1 1 380.821 0.625 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000824991554 607665105 /nfs/dbraw/zinc/66/51/05/607665105.db2.gz CGLICCSJVMTVRL-SMDDNHRTSA-N -1 1 396.448 0.347 20 0 GCADMM NC(=O)[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826389998 607671256 /nfs/dbraw/zinc/67/12/56/607671256.db2.gz NKNUCRQVCMGKKC-ZYHUDNBSSA-N -1 1 382.421 0.718 20 0 GCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000827379679 604297138 /nfs/dbraw/zinc/29/71/38/604297138.db2.gz JOFWAHQYHOJUNQ-CWTRNNRKSA-N -1 1 388.424 0.362 20 0 GCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000827379677 604297229 /nfs/dbraw/zinc/29/72/29/604297229.db2.gz JOFWAHQYHOJUNQ-BUXKBTBVSA-N -1 1 388.424 0.362 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)c2ccccc2Br)c1=O ZINC000826356563 607687852 /nfs/dbraw/zinc/68/78/52/607687852.db2.gz WKIIKQBEBFLBGG-NSHDSACASA-N -1 1 393.201 0.223 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1nc(-c2nc[nH]n2)no1 ZINC000833472588 604459998 /nfs/dbraw/zinc/45/99/98/604459998.db2.gz ZXKLBCPNFLZHIM-VIFPVBQESA-N -1 1 382.358 0.822 20 0 GCADMM COC(=O)c1cc(NC(=O)CN(C)C[C@@H]2CCN(C(C)=O)C2)cc(C(=O)[O-])c1 ZINC000833712550 604520221 /nfs/dbraw/zinc/52/02/21/604520221.db2.gz FVKNCBYFBGVQOW-ZDUSSCGKSA-N -1 1 391.424 0.910 20 0 GCADMM C[C@H](CN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000828232145 604740169 /nfs/dbraw/zinc/74/01/69/604740169.db2.gz BJTCHKFUWBKOIG-BJCXPLBRSA-N -1 1 380.445 0.703 20 0 GCADMM C[C@H](Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N)C(=O)NCC(=O)[O-] ZINC000827922775 604757069 /nfs/dbraw/zinc/75/70/69/604757069.db2.gz YKJOWTHABXTEID-VIFPVBQESA-N -1 1 387.425 0.730 20 0 GCADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000832700017 604835944 /nfs/dbraw/zinc/83/59/44/604835944.db2.gz ZHLPNHGDIIULKC-UHFFFAOYSA-N -1 1 386.361 0.273 20 0 GCADMM CS(=O)(=O)Nc1cc(F)ccc1C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000832699985 604837302 /nfs/dbraw/zinc/83/73/02/604837302.db2.gz XCZUQJAXKWSDGS-UHFFFAOYSA-N -1 1 386.361 0.273 20 0 GCADMM CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2cnccc2C(=O)[O-])C1 ZINC000826885619 604875208 /nfs/dbraw/zinc/87/52/08/604875208.db2.gz FALDINLNCCIQBM-CYBMUJFWSA-N -1 1 379.413 0.410 20 0 GCADMM C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833404910 604983273 /nfs/dbraw/zinc/98/32/73/604983273.db2.gz VPZUIJLZYUFBMK-CZUORRHYSA-N -1 1 393.440 0.110 20 0 GCADMM COc1cc2c(cc1OC)CN(C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1)CC2 ZINC000833729880 604984334 /nfs/dbraw/zinc/98/43/34/604984334.db2.gz HFYBBRDPMJXNJD-LJQANCHMSA-N -1 1 392.452 0.746 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000833632687 605028917 /nfs/dbraw/zinc/02/89/17/605028917.db2.gz XPPXIFICODSUAM-MAUKXSAKSA-N -1 1 395.525 0.960 20 0 GCADMM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)CN2CCCCC2)cc(F)c1F ZINC000833779414 605031135 /nfs/dbraw/zinc/03/11/35/605031135.db2.gz FIMYBECEBQEYAC-JTQLQIEISA-N -1 1 378.397 0.788 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000833627389 605051975 /nfs/dbraw/zinc/05/19/75/605051975.db2.gz XBLRBOCUPDGMBV-GFCCVEGCSA-N -1 1 398.410 0.885 20 0 GCADMM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833438085 605058341 /nfs/dbraw/zinc/05/83/41/605058341.db2.gz LPRDOMQOZYVHAR-SNVBAGLBSA-N -1 1 391.384 0.968 20 0 GCADMM CC(C)CN1CCO[C@H](CNC(=O)COC(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000833487287 605071616 /nfs/dbraw/zinc/07/16/16/605071616.db2.gz IEMFEGSGVNQDEM-UYSNPLJNSA-N -1 1 384.473 0.894 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000833437778 605073004 /nfs/dbraw/zinc/07/30/04/605073004.db2.gz XEQLRZVNJPFZBW-KGLIPLIRSA-N -1 1 396.444 0.938 20 0 GCADMM CC(C)c1nnc(NC(=O)CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000833512190 605076681 /nfs/dbraw/zinc/07/66/81/605076681.db2.gz OPGLMGAOVNSDNE-JTQLQIEISA-N -1 1 380.430 0.915 20 0 GCADMM CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833489656 605080363 /nfs/dbraw/zinc/08/03/63/605080363.db2.gz QKNQFXLMUUMKPQ-HNNXBMFYSA-N -1 1 394.453 0.770 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000833618528 605114316 /nfs/dbraw/zinc/11/43/16/605114316.db2.gz CCSISAPMBONFRJ-RDJZCZTQSA-N -1 1 388.468 0.941 20 0 GCADMM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000833741686 605127529 /nfs/dbraw/zinc/12/75/29/605127529.db2.gz UKWSXIRJBKQZDT-UHFFFAOYSA-N -1 1 396.406 0.903 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1OCC(=O)N(C)C ZINC000833625193 605155789 /nfs/dbraw/zinc/15/57/89/605155789.db2.gz KBRYNIYOLIKIPB-CQSZACIVSA-N -1 1 377.441 0.775 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000833627264 605159752 /nfs/dbraw/zinc/15/97/52/605159752.db2.gz VUZAWBLPMYKHSB-CYBMUJFWSA-N -1 1 384.436 0.964 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000833627265 605160164 /nfs/dbraw/zinc/16/01/64/605160164.db2.gz VUZAWBLPMYKHSB-ZDUSSCGKSA-N -1 1 384.436 0.964 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000833628731 605200509 /nfs/dbraw/zinc/20/05/09/605200509.db2.gz OSRZYIZZQCRECQ-LBPRGKRZSA-N -1 1 391.407 0.221 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833523884 605203233 /nfs/dbraw/zinc/20/32/33/605203233.db2.gz ZULCAGIDXOXCGR-NWDGAFQWSA-N -1 1 389.499 0.422 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000833625290 605205908 /nfs/dbraw/zinc/20/59/08/605205908.db2.gz KRBSKLRJZFKBFV-BUXKBTBVSA-N -1 1 388.424 0.362 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000833634154 605209243 /nfs/dbraw/zinc/20/92/43/605209243.db2.gz KPGXUNKVZYDYFI-KGLIPLIRSA-N -1 1 387.440 0.332 20 0 GCADMM CC(C)CN1CCO[C@@H](CNC(=O)CN2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000833489229 605245467 /nfs/dbraw/zinc/24/54/67/605245467.db2.gz YEWZZFZNWGWJAE-YJBOKZPZSA-N -1 1 391.468 0.812 20 0 GCADMM CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC000833504867 605250769 /nfs/dbraw/zinc/25/07/69/605250769.db2.gz QXFKZAZUTMGROQ-AWEZNQCLSA-N -1 1 397.497 0.994 20 0 GCADMM C[C@H]1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CCN1CCC(=O)[O-] ZINC000833620870 605253980 /nfs/dbraw/zinc/25/39/80/605253980.db2.gz YHPNLZNQSVHTLJ-WMZOPIPTSA-N -1 1 375.469 0.895 20 0 GCADMM C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCN1CCC(=O)[O-] ZINC000833618663 605254370 /nfs/dbraw/zinc/25/43/70/605254370.db2.gz QJMFLJJMFTXCRW-CJNGLKHVSA-N -1 1 387.440 0.114 20 0 GCADMM Cc1sc2ncc(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)c(=O)n2c1C ZINC000833758617 605268265 /nfs/dbraw/zinc/26/82/65/605268265.db2.gz HTSDUDRBMUUGGT-JTQLQIEISA-N -1 1 378.454 0.994 20 0 GCADMM C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CCN1CCC(=O)[O-] ZINC000833632947 605279949 /nfs/dbraw/zinc/27/99/49/605279949.db2.gz BAIMBFHBUBUARY-ZIAGYGMSSA-N -1 1 387.440 0.332 20 0 GCADMM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823972794 607746052 /nfs/dbraw/zinc/74/60/52/607746052.db2.gz GZEMYPNRUCMMPU-TVQRCGJNSA-N -1 1 382.421 0.541 20 0 GCADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3ccc(C(=O)[O-])nc3)CC2)C1 ZINC000604961805 605306040 /nfs/dbraw/zinc/30/60/40/605306040.db2.gz ILXCJEKNFVGMHX-INIZCTEOSA-N -1 1 376.457 0.647 20 0 GCADMM C[C@@H]1CN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CCN1CCC(=O)[O-] ZINC000833618223 605528739 /nfs/dbraw/zinc/52/87/39/605528739.db2.gz MEXLFVMOGQZYHO-RLCCDNCMSA-N -1 1 393.465 0.698 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000833618905 605532926 /nfs/dbraw/zinc/53/29/26/605532926.db2.gz GJORKFBNULNVSY-XFBWCDHKSA-N -1 1 393.465 0.698 20 0 GCADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000833724988 605919454 /nfs/dbraw/zinc/91/94/54/605919454.db2.gz WJNPLCBOVFBVPH-LBPRGKRZSA-N -1 1 379.413 0.559 20 0 GCADMM Cn1c(CCCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)nc2ccccc21 ZINC000822599300 606063175 /nfs/dbraw/zinc/06/31/75/606063175.db2.gz CIWFMDHLSDBBHO-UHFFFAOYSA-N -1 1 395.427 0.196 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000822542458 606066502 /nfs/dbraw/zinc/06/65/02/606066502.db2.gz XUOAWOYBUGEQLO-ONGXEEELSA-N -1 1 397.461 0.156 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000822458635 606066835 /nfs/dbraw/zinc/06/68/35/606066835.db2.gz GQAMPNKRMNKBMO-CQSZACIVSA-N -1 1 399.459 0.475 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000822458635 606066839 /nfs/dbraw/zinc/06/68/39/606066839.db2.gz GQAMPNKRMNKBMO-CQSZACIVSA-N -1 1 399.459 0.475 20 0 GCADMM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)c1cnn(C)c1 ZINC000821594047 606083444 /nfs/dbraw/zinc/08/34/44/606083444.db2.gz WQMOFDFREIFIGA-UHFFFAOYSA-N -1 1 378.400 0.861 20 0 GCADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)c1cnn(C)c1 ZINC000821594047 606083448 /nfs/dbraw/zinc/08/34/48/606083448.db2.gz WQMOFDFREIFIGA-UHFFFAOYSA-N -1 1 378.400 0.861 20 0 GCADMM CN(CCO)S(=O)(=O)c1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000821602615 606124849 /nfs/dbraw/zinc/12/48/49/606124849.db2.gz KUJUJSDFZRJDKV-UHFFFAOYSA-N -1 1 389.441 0.487 20 0 GCADMM CN(CCO)S(=O)(=O)c1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000821602615 606124851 /nfs/dbraw/zinc/12/48/51/606124851.db2.gz KUJUJSDFZRJDKV-UHFFFAOYSA-N -1 1 389.441 0.487 20 0 GCADMM COCCCS(=O)(=O)NCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821688673 606132192 /nfs/dbraw/zinc/13/21/92/606132192.db2.gz UWJRYULZMLGXKQ-UHFFFAOYSA-N -1 1 375.432 0.041 20 0 GCADMM COCCCS(=O)(=O)NCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821688673 606132194 /nfs/dbraw/zinc/13/21/94/606132194.db2.gz UWJRYULZMLGXKQ-UHFFFAOYSA-N -1 1 375.432 0.041 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(=O)NCC(F)(F)F ZINC000820513042 606135197 /nfs/dbraw/zinc/13/51/97/606135197.db2.gz SQTLYUUUMFKSDQ-RXMQYKEDSA-N -1 1 392.319 0.862 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(=O)NCC(F)(F)F ZINC000820513042 606135198 /nfs/dbraw/zinc/13/51/98/606135198.db2.gz SQTLYUUUMFKSDQ-RXMQYKEDSA-N -1 1 392.319 0.862 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000820508085 606135541 /nfs/dbraw/zinc/13/55/41/606135541.db2.gz MDKDTLYNDYQBIH-IUCAKERBSA-N -1 1 399.454 0.119 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000820508085 606135542 /nfs/dbraw/zinc/13/55/42/606135542.db2.gz MDKDTLYNDYQBIH-IUCAKERBSA-N -1 1 399.454 0.119 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NC(=O)NCc1ccco1 ZINC000823026961 606136724 /nfs/dbraw/zinc/13/67/24/606136724.db2.gz KFQKQGVKHKXYLP-UHFFFAOYSA-N -1 1 376.354 0.704 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NC(=O)NCc1ccco1 ZINC000823026961 606136725 /nfs/dbraw/zinc/13/67/25/606136725.db2.gz KFQKQGVKHKXYLP-UHFFFAOYSA-N -1 1 376.354 0.704 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCC(C(N)=O)CC1 ZINC000820507792 606136964 /nfs/dbraw/zinc/13/69/64/606136964.db2.gz KNFMSIPWRMBTFG-QMMMGPOBSA-N -1 1 378.414 0.197 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCC(C(N)=O)CC1 ZINC000820507792 606136966 /nfs/dbraw/zinc/13/69/66/606136966.db2.gz KNFMSIPWRMBTFG-QMMMGPOBSA-N -1 1 378.414 0.197 20 0 GCADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820641618 606138990 /nfs/dbraw/zinc/13/89/90/606138990.db2.gz DMTRDTRCXNRQTD-OCCSQVGLSA-N -1 1 381.440 0.722 20 0 GCADMM Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)cn1 ZINC000822674660 606145443 /nfs/dbraw/zinc/14/54/43/606145443.db2.gz YTFRUOZUPSWRFI-NSHDSACASA-N -1 1 391.432 0.993 20 0 GCADMM Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)cn1 ZINC000822674660 606145445 /nfs/dbraw/zinc/14/54/45/606145445.db2.gz YTFRUOZUPSWRFI-NSHDSACASA-N -1 1 391.432 0.993 20 0 GCADMM Cn1cc(C[C@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)cn1 ZINC000822674659 606145539 /nfs/dbraw/zinc/14/55/39/606145539.db2.gz YTFRUOZUPSWRFI-LLVKDONJSA-N -1 1 391.432 0.993 20 0 GCADMM Cn1cc(C[C@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)cn1 ZINC000822674659 606145540 /nfs/dbraw/zinc/14/55/40/606145540.db2.gz YTFRUOZUPSWRFI-LLVKDONJSA-N -1 1 391.432 0.993 20 0 GCADMM CC[C@H](C)[C@@H](O)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820859691 606147376 /nfs/dbraw/zinc/14/73/76/606147376.db2.gz GONNVGGLQCHGCG-XHDPSFHLSA-N -1 1 399.411 0.941 20 0 GCADMM CC[C@H](C)[C@@H](O)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820859691 606147378 /nfs/dbraw/zinc/14/73/78/606147378.db2.gz GONNVGGLQCHGCG-XHDPSFHLSA-N -1 1 399.411 0.941 20 0 GCADMM CCC1(C(=O)OCC(=O)N2CCN(c3oc(C)nc3-c3nn[n-]n3)CC2)CC1 ZINC000820944168 606148765 /nfs/dbraw/zinc/14/87/65/606148765.db2.gz IZFLQFUXFRPHMQ-UHFFFAOYSA-N -1 1 389.416 0.545 20 0 GCADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820270094 606154860 /nfs/dbraw/zinc/15/48/60/606154860.db2.gz UYYZLPBGFBIWRY-SECBINFHSA-N -1 1 379.425 0.977 20 0 GCADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820270094 606154861 /nfs/dbraw/zinc/15/48/61/606154861.db2.gz UYYZLPBGFBIWRY-SECBINFHSA-N -1 1 379.425 0.977 20 0 GCADMM Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)n1 ZINC000822198793 606161252 /nfs/dbraw/zinc/16/12/52/606161252.db2.gz KNLRNEDUEYLKIB-LBPRGKRZSA-N -1 1 386.420 0.346 20 0 GCADMM Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)n1 ZINC000822198793 606161254 /nfs/dbraw/zinc/16/12/54/606161254.db2.gz KNLRNEDUEYLKIB-LBPRGKRZSA-N -1 1 386.420 0.346 20 0 GCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC000820380786 606162251 /nfs/dbraw/zinc/16/22/51/606162251.db2.gz ZYECYQVVXGRSIB-SECBINFHSA-N -1 1 390.429 0.886 20 0 GCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(S(C)(=O)=O)cc1 ZINC000820380786 606162252 /nfs/dbraw/zinc/16/22/52/606162252.db2.gz ZYECYQVVXGRSIB-SECBINFHSA-N -1 1 390.429 0.886 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)n1 ZINC000822609379 606162910 /nfs/dbraw/zinc/16/29/10/606162910.db2.gz NBOYEYPYFHFXGH-UHFFFAOYSA-N -1 1 397.399 0.296 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(C(=O)NC3CC3)c2)n1 ZINC000822620634 606163429 /nfs/dbraw/zinc/16/34/29/606163429.db2.gz ZSCQQXNHOQVMQI-UHFFFAOYSA-N -1 1 381.400 0.814 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(C(=O)NC3CC3)c2)n1 ZINC000822620634 606163431 /nfs/dbraw/zinc/16/34/31/606163431.db2.gz ZSCQQXNHOQVMQI-UHFFFAOYSA-N -1 1 381.400 0.814 20 0 GCADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)n1 ZINC000821712803 606163450 /nfs/dbraw/zinc/16/34/50/606163450.db2.gz MGVKBGNPQPROBM-UHFFFAOYSA-N -1 1 396.820 0.933 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)COc2cccc(F)c2)n1 ZINC000822614762 606164482 /nfs/dbraw/zinc/16/44/82/606164482.db2.gz RIXBQGKADSFBLO-SNVBAGLBSA-N -1 1 376.352 0.301 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)COc2cccc(F)c2)n1 ZINC000822614762 606164485 /nfs/dbraw/zinc/16/44/85/606164485.db2.gz RIXBQGKADSFBLO-SNVBAGLBSA-N -1 1 376.352 0.301 20 0 GCADMM Cc1noc([C@@H](C)N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000822520346 606167138 /nfs/dbraw/zinc/16/71/38/606167138.db2.gz YNYMGZKXVAQKLV-SECBINFHSA-N -1 1 387.408 0.202 20 0 GCADMM Cc1noc([C@@H](C)N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000822520346 606167139 /nfs/dbraw/zinc/16/71/39/606167139.db2.gz YNYMGZKXVAQKLV-SECBINFHSA-N -1 1 387.408 0.202 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000822613310 606167367 /nfs/dbraw/zinc/16/73/67/606167367.db2.gz DFRPJILGSCGNEF-UHFFFAOYSA-N -1 1 375.437 0.759 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000822613310 606167369 /nfs/dbraw/zinc/16/73/69/606167369.db2.gz DFRPJILGSCGNEF-UHFFFAOYSA-N -1 1 375.437 0.759 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCNC(=O)c2ccc(F)cc2)n1 ZINC000822613987 606170415 /nfs/dbraw/zinc/17/04/15/606170415.db2.gz HLAFWOQMRTUAQP-UHFFFAOYSA-N -1 1 387.379 0.681 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCNC(=O)c2ccc(F)cc2)n1 ZINC000822613987 606170416 /nfs/dbraw/zinc/17/04/16/606170416.db2.gz HLAFWOQMRTUAQP-UHFFFAOYSA-N -1 1 387.379 0.681 20 0 GCADMM COCC(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821680414 606171237 /nfs/dbraw/zinc/17/12/37/606171237.db2.gz IGZHDMJKSOGZID-UHFFFAOYSA-N -1 1 385.388 0.507 20 0 GCADMM COCC(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821680414 606171238 /nfs/dbraw/zinc/17/12/38/606171238.db2.gz IGZHDMJKSOGZID-UHFFFAOYSA-N -1 1 385.388 0.507 20 0 GCADMM CN(CCCNC(=O)OC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821599463 606171285 /nfs/dbraw/zinc/17/12/85/606171285.db2.gz VTSYNNNLUCOUOM-UHFFFAOYSA-N -1 1 379.425 0.979 20 0 GCADMM CN(CCCNC(=O)OC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821599463 606171286 /nfs/dbraw/zinc/17/12/86/606171286.db2.gz VTSYNNNLUCOUOM-UHFFFAOYSA-N -1 1 379.425 0.979 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000822613276 606173399 /nfs/dbraw/zinc/17/33/99/606173399.db2.gz CNRJIJHKHBGGOR-SECBINFHSA-N -1 1 377.409 0.731 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000822613276 606173401 /nfs/dbraw/zinc/17/34/01/606173401.db2.gz CNRJIJHKHBGGOR-SECBINFHSA-N -1 1 377.409 0.731 20 0 GCADMM CCOC(=O)c1cnn(CCOC(=O)c2ccc(-c3nnn[n-]3)s2)c1N ZINC000821342539 606178789 /nfs/dbraw/zinc/17/87/89/606178789.db2.gz FDGWPPJOPRLWAB-UHFFFAOYSA-N -1 1 377.386 0.741 20 0 GCADMM CCOC(=O)c1cnn(CCOC(=O)c2ccc(-c3nn[n-]n3)s2)c1N ZINC000821342539 606178790 /nfs/dbraw/zinc/17/87/90/606178790.db2.gz FDGWPPJOPRLWAB-UHFFFAOYSA-N -1 1 377.386 0.741 20 0 GCADMM CO[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000821675889 606202442 /nfs/dbraw/zinc/20/24/42/606202442.db2.gz VUQJMHJPUONNCM-MRVPVSSYSA-N -1 1 397.392 0.917 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(Cc3ccccc3C)no2)c1=O ZINC000821565521 606203883 /nfs/dbraw/zinc/20/38/83/606203883.db2.gz WSHZHIFARAJICP-UHFFFAOYSA-N -1 1 394.395 0.541 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCc3c2cnn3C(C)(C)C)n(C)c1=O ZINC000822601409 606225143 /nfs/dbraw/zinc/22/51/43/606225143.db2.gz ZDSYHKPASDRFGQ-NSHDSACASA-N -1 1 399.459 0.705 20 0 GCADMM CCN(C[C@@H](O)c1ccc(C)cc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821170565 606241327 /nfs/dbraw/zinc/24/13/27/606241327.db2.gz SOKYRFYKOJSRMP-CYBMUJFWSA-N -1 1 385.428 0.132 20 0 GCADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822458570 606275955 /nfs/dbraw/zinc/27/59/55/606275955.db2.gz DRYGUQBEMIJYOF-UHFFFAOYSA-N -1 1 379.384 0.796 20 0 GCADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822458570 606275956 /nfs/dbraw/zinc/27/59/56/606275956.db2.gz DRYGUQBEMIJYOF-UHFFFAOYSA-N -1 1 379.384 0.796 20 0 GCADMM Cn1cc(Br)cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1=O ZINC000822665207 606278730 /nfs/dbraw/zinc/27/87/30/606278730.db2.gz KQYIWCNEDBESEG-UHFFFAOYSA-N -1 1 376.174 0.975 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000821970147 606286117 /nfs/dbraw/zinc/28/61/17/606286117.db2.gz IZDNRPRRHPJLTL-UWVGGRQHSA-N -1 1 393.473 0.216 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000822899362 606292640 /nfs/dbraw/zinc/29/26/40/606292640.db2.gz HHVDJDSZHOPDQK-UHFFFAOYSA-N -1 1 389.807 0.513 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000822899362 606292642 /nfs/dbraw/zinc/29/26/42/606292642.db2.gz HHVDJDSZHOPDQK-UHFFFAOYSA-N -1 1 389.807 0.513 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccnc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822968885 606296626 /nfs/dbraw/zinc/29/66/26/606296626.db2.gz DKSUFGYACLSZBL-UHFFFAOYSA-N -1 1 389.397 0.274 20 0 GCADMM CC[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccccc1F 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C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820768258 606472435 /nfs/dbraw/zinc/47/24/35/606472435.db2.gz LZMYNWCYSKARAZ-ZYHUDNBSSA-N -1 1 388.457 0.892 20 0 GCADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820768258 606472436 /nfs/dbraw/zinc/47/24/36/606472436.db2.gz LZMYNWCYSKARAZ-ZYHUDNBSSA-N -1 1 388.457 0.892 20 0 GCADMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820768254 606472527 /nfs/dbraw/zinc/47/25/27/606472527.db2.gz LZMYNWCYSKARAZ-JQWIXIFHSA-N -1 1 388.457 0.892 20 0 GCADMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820768254 606472529 /nfs/dbraw/zinc/47/25/29/606472529.db2.gz LZMYNWCYSKARAZ-JQWIXIFHSA-N -1 1 388.457 0.892 20 0 GCADMM CCO[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(CC)CC ZINC000821358674 606477289 /nfs/dbraw/zinc/47/72/89/606477289.db2.gz JYNNCVSSABSKLC-MNOVXSKESA-N -1 1 377.449 0.660 20 0 GCADMM C[C@@H](N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)C(F)(F)F 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Cc1cc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n2ncnc2n1 ZINC000822206815 606524861 /nfs/dbraw/zinc/52/48/61/606524861.db2.gz ADBZPYLFXIRPKQ-UHFFFAOYSA-N -1 1 396.440 0.637 20 0 GCADMM Cc1cc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n2ncnc2n1 ZINC000822206815 606524862 /nfs/dbraw/zinc/52/48/62/606524862.db2.gz ADBZPYLFXIRPKQ-UHFFFAOYSA-N -1 1 396.440 0.637 20 0 GCADMM COc1ccc(C2N=NC(=S)N2CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000821732682 606532344 /nfs/dbraw/zinc/53/23/44/606532344.db2.gz RWFJZKYCVQNLMM-UHFFFAOYSA-N -1 1 398.412 0.784 20 0 GCADMM COc1ccc(C2N=NC(=S)N2CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000821732682 606532345 /nfs/dbraw/zinc/53/23/45/606532345.db2.gz RWFJZKYCVQNLMM-UHFFFAOYSA-N -1 1 398.412 0.784 20 0 GCADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821690908 606534943 /nfs/dbraw/zinc/53/49/43/606534943.db2.gz AYPYNDOXAWCEDG-MNOVXSKESA-N -1 1 378.458 0.932 20 0 GCADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821690908 606534945 /nfs/dbraw/zinc/53/49/45/606534945.db2.gz AYPYNDOXAWCEDG-MNOVXSKESA-N -1 1 378.458 0.932 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000823484395 606567425 /nfs/dbraw/zinc/56/74/25/606567425.db2.gz XBEZVDFILFMNJW-UHFFFAOYSA-N -1 1 382.413 0.328 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000823484395 606567426 /nfs/dbraw/zinc/56/74/26/606567426.db2.gz XBEZVDFILFMNJW-UHFFFAOYSA-N -1 1 382.413 0.328 20 0 GCADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1)N1CCOCC1 ZINC000823375848 606571621 /nfs/dbraw/zinc/57/16/21/606571621.db2.gz MJSFOCUJSUKJNJ-UHFFFAOYSA-N -1 1 388.413 0.236 20 0 GCADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1)N1CCOCC1 ZINC000823375848 606571623 /nfs/dbraw/zinc/57/16/23/606571623.db2.gz MJSFOCUJSUKJNJ-UHFFFAOYSA-N -1 1 388.413 0.236 20 0 GCADMM CC[C@@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(=O)OC ZINC000820913713 606582195 /nfs/dbraw/zinc/58/21/95/606582195.db2.gz JUPIJCXDBGFWBR-CYBMUJFWSA-N -1 1 386.416 0.527 20 0 GCADMM CC[C@@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(=O)OC ZINC000820913713 606582197 /nfs/dbraw/zinc/58/21/97/606582197.db2.gz JUPIJCXDBGFWBR-CYBMUJFWSA-N -1 1 386.416 0.527 20 0 GCADMM COc1cc(OC)cc(N2C[C@@H](C(=O)n3ncc(-c4nn[n-]n4)c3N)CC2=O)c1 ZINC000821724061 606584124 /nfs/dbraw/zinc/58/41/24/606584124.db2.gz OTJOBVXDQFUGCM-VIFPVBQESA-N -1 1 398.383 0.356 20 0 GCADMM CC(C)CC(=O)N1CCC(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820051910 606595654 /nfs/dbraw/zinc/59/56/54/606595654.db2.gz XPANVKGCMHEAHQ-UHFFFAOYSA-N -1 1 375.437 0.759 20 0 GCADMM CC(C)CC(=O)N1CCC(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820051910 606595655 /nfs/dbraw/zinc/59/56/55/606595655.db2.gz XPANVKGCMHEAHQ-UHFFFAOYSA-N -1 1 375.437 0.759 20 0 GCADMM Cc1cc(C(=O)N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c(C)o1 ZINC000822168861 606596282 /nfs/dbraw/zinc/59/62/82/606596282.db2.gz UBEAWZYXERHIBM-UHFFFAOYSA-N -1 1 399.415 0.800 20 0 GCADMM Cc1cc(C(=O)N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c(C)o1 ZINC000822168861 606596283 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GCADMM O=c1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2[nH]1 ZINC000823665246 606639859 /nfs/dbraw/zinc/63/98/59/606639859.db2.gz FUJPGOKRURVOOP-UHFFFAOYSA-N -1 1 383.393 0.994 20 0 GCADMM O=c1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2[nH]1 ZINC000823665246 606639860 /nfs/dbraw/zinc/63/98/60/606639860.db2.gz FUJPGOKRURVOOP-UHFFFAOYSA-N -1 1 383.393 0.994 20 0 GCADMM CN1C(=O)N(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C(=O)C12CCCCC2 ZINC000821620623 606650320 /nfs/dbraw/zinc/65/03/20/606650320.db2.gz QLCNSHIGKLUZQZ-UHFFFAOYSA-N -1 1 399.411 0.902 20 0 GCADMM CN1C(=O)N(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C(=O)C12CCCCC2 ZINC000821620623 606650321 /nfs/dbraw/zinc/65/03/21/606650321.db2.gz QLCNSHIGKLUZQZ-UHFFFAOYSA-N -1 1 399.411 0.902 20 0 GCADMM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821588411 606651867 /nfs/dbraw/zinc/65/18/67/606651867.db2.gz QYSRYLOBVSEBFS-UHFFFAOYSA-N -1 1 377.386 0.197 20 0 GCADMM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821588411 606651868 /nfs/dbraw/zinc/65/18/68/606651868.db2.gz QYSRYLOBVSEBFS-UHFFFAOYSA-N -1 1 377.386 0.197 20 0 GCADMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964372 606653034 /nfs/dbraw/zinc/65/30/34/606653034.db2.gz HIOZGACWWCYNJC-STQMWFEESA-N -1 1 384.396 0.870 20 0 GCADMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964372 606653035 /nfs/dbraw/zinc/65/30/35/606653035.db2.gz HIOZGACWWCYNJC-STQMWFEESA-N -1 1 384.396 0.870 20 0 GCADMM CN(C)S(=O)(=O)c1ccsc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821588265 606653424 /nfs/dbraw/zinc/65/34/24/606653424.db2.gz JXQHNVLZNUYUHD-UHFFFAOYSA-N -1 1 394.438 0.931 20 0 GCADMM CN(C)S(=O)(=O)c1ccsc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821588265 606653425 /nfs/dbraw/zinc/65/34/25/606653425.db2.gz JXQHNVLZNUYUHD-UHFFFAOYSA-N -1 1 394.438 0.931 20 0 GCADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820295095 606683848 /nfs/dbraw/zinc/68/38/48/606683848.db2.gz XZOYBSBPUQOILJ-VIFPVBQESA-N -1 1 393.404 0.788 20 0 GCADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820295095 606683849 /nfs/dbraw/zinc/68/38/49/606683849.db2.gz XZOYBSBPUQOILJ-VIFPVBQESA-N -1 1 393.404 0.788 20 0 GCADMM CC[C@@H](CCO)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820903849 606718223 /nfs/dbraw/zinc/71/82/23/606718223.db2.gz YQMJRMFIHXQEBA-ZDUSSCGKSA-N -1 1 386.460 0.984 20 0 GCADMM CC[C@@H](CCO)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820903849 606718224 /nfs/dbraw/zinc/71/82/24/606718224.db2.gz YQMJRMFIHXQEBA-ZDUSSCGKSA-N -1 1 386.460 0.984 20 0 GCADMM COc1coc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1=O ZINC000821911598 606752226 /nfs/dbraw/zinc/75/22/26/606752226.db2.gz ZUFQEAZAZIFWQN-NSHDSACASA-N -1 1 384.400 0.329 20 0 GCADMM COc1coc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1=O ZINC000821911598 606752227 /nfs/dbraw/zinc/75/22/27/606752227.db2.gz ZUFQEAZAZIFWQN-NSHDSACASA-N -1 1 384.400 0.329 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccncc1 ZINC000820788296 606762559 /nfs/dbraw/zinc/76/25/59/606762559.db2.gz CJZDYYZZPNYMME-LBPRGKRZSA-N -1 1 380.416 0.472 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccncc1 ZINC000820788296 606762561 /nfs/dbraw/zinc/76/25/61/606762561.db2.gz CJZDYYZZPNYMME-LBPRGKRZSA-N -1 1 380.416 0.472 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCn1ccnc1 ZINC000820788691 606762613 /nfs/dbraw/zinc/76/26/13/606762613.db2.gz MKSRKMZWCBARPA-CYBMUJFWSA-N -1 1 397.447 0.164 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCn1ccnc1 ZINC000820788691 606762615 /nfs/dbraw/zinc/76/26/15/606762615.db2.gz MKSRKMZWCBARPA-CYBMUJFWSA-N -1 1 397.447 0.164 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccccn1 ZINC000820788683 606762623 /nfs/dbraw/zinc/76/26/23/606762623.db2.gz MFDFDCZERMKZGP-GFCCVEGCSA-N -1 1 380.416 0.472 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccccn1 ZINC000820788683 606762624 /nfs/dbraw/zinc/76/26/24/606762624.db2.gz MFDFDCZERMKZGP-GFCCVEGCSA-N -1 1 380.416 0.472 20 0 GCADMM CNS(=O)(=O)c1csc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821637542 606762725 /nfs/dbraw/zinc/76/27/25/606762725.db2.gz KKMYNLDEYAFMJP-UHFFFAOYSA-N -1 1 380.411 0.588 20 0 GCADMM CNS(=O)(=O)c1csc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821637542 606762727 /nfs/dbraw/zinc/76/27/27/606762727.db2.gz KKMYNLDEYAFMJP-UHFFFAOYSA-N -1 1 380.411 0.588 20 0 GCADMM CS(=O)(=O)NCc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000821937352 606762926 /nfs/dbraw/zinc/76/29/26/606762926.db2.gz LSEWPBCOLUTDOP-UHFFFAOYSA-N -1 1 378.370 0.261 20 0 GCADMM CS(=O)(=O)NCc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC000821937352 606762928 /nfs/dbraw/zinc/76/29/28/606762928.db2.gz LSEWPBCOLUTDOP-UHFFFAOYSA-N -1 1 378.370 0.261 20 0 GCADMM CCOCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821383930 606764985 /nfs/dbraw/zinc/76/49/85/606764985.db2.gz LYWXFPMKRZKNHN-NSHDSACASA-N -1 1 377.478 0.078 20 0 GCADMM CCOCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821383930 606764987 /nfs/dbraw/zinc/76/49/87/606764987.db2.gz LYWXFPMKRZKNHN-NSHDSACASA-N -1 1 377.478 0.078 20 0 GCADMM CCn1cc(NC(=S)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000821566730 606765216 /nfs/dbraw/zinc/76/52/16/606765216.db2.gz RGCBCEYGLLZSPI-NSHDSACASA-N -1 1 399.488 0.781 20 0 GCADMM CCn1cc(NC(=S)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000821566730 606765217 /nfs/dbraw/zinc/76/52/17/606765217.db2.gz RGCBCEYGLLZSPI-NSHDSACASA-N -1 1 399.488 0.781 20 0 GCADMM COC[C@@H](C)NC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821683024 606765361 /nfs/dbraw/zinc/76/53/61/606765361.db2.gz TZJWSZAWKWDVRW-GHMZBOCLSA-N -1 1 377.478 0.077 20 0 GCADMM COC[C@@H](C)NC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821683024 606765363 /nfs/dbraw/zinc/76/53/63/606765363.db2.gz TZJWSZAWKWDVRW-GHMZBOCLSA-N -1 1 377.478 0.077 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000820803606 606768847 /nfs/dbraw/zinc/76/88/47/606768847.db2.gz DBXNRUMIDSQKQB-ILXRZTDVSA-N -1 1 397.487 0.916 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000820803606 606768849 /nfs/dbraw/zinc/76/88/49/606768849.db2.gz DBXNRUMIDSQKQB-ILXRZTDVSA-N -1 1 397.487 0.916 20 0 GCADMM CC(C)[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820038078 606768906 /nfs/dbraw/zinc/76/89/06/606768906.db2.gz KFFGMQFLJQIQSZ-ZIAGYGMSSA-N -1 1 385.476 0.629 20 0 GCADMM CC(C)[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820038078 606768908 /nfs/dbraw/zinc/76/89/08/606768908.db2.gz KFFGMQFLJQIQSZ-ZIAGYGMSSA-N -1 1 385.476 0.629 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1c2ccccc2oc1=O ZINC000820804283 606769176 /nfs/dbraw/zinc/76/91/76/606769176.db2.gz PMXUVVAQBRTKLB-LBPRGKRZSA-N -1 1 393.411 0.733 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1c2ccccc2oc1=O ZINC000820804283 606769177 /nfs/dbraw/zinc/76/91/77/606769177.db2.gz PMXUVVAQBRTKLB-LBPRGKRZSA-N -1 1 393.411 0.733 20 0 GCADMM C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820705681 606777643 /nfs/dbraw/zinc/77/76/43/606777643.db2.gz WGWHGMKRMMPSTE-QLFBSQMISA-N -1 1 399.503 0.862 20 0 GCADMM C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820705681 606777645 /nfs/dbraw/zinc/77/76/45/606777645.db2.gz WGWHGMKRMMPSTE-QLFBSQMISA-N -1 1 399.503 0.862 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1nccs1 ZINC000820788207 606778056 /nfs/dbraw/zinc/77/80/56/606778056.db2.gz APQWVXFBMKBADD-JTQLQIEISA-N -1 1 386.445 0.262 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1nccs1 ZINC000820788207 606778057 /nfs/dbraw/zinc/77/80/57/606778057.db2.gz APQWVXFBMKBADD-JTQLQIEISA-N -1 1 386.445 0.262 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1ccccc1 ZINC000820788596 606779857 /nfs/dbraw/zinc/77/98/57/606779857.db2.gz KCVSVUWPUSYRAI-CQSZACIVSA-N -1 1 393.455 0.484 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1ccccc1 ZINC000820788596 606779859 /nfs/dbraw/zinc/77/98/59/606779859.db2.gz KCVSVUWPUSYRAI-CQSZACIVSA-N -1 1 393.455 0.484 20 0 GCADMM C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820788731 606779963 /nfs/dbraw/zinc/77/99/63/606779963.db2.gz NDYSWOBMQQARAM-QLFBSQMISA-N -1 1 399.503 0.957 20 0 GCADMM C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820788731 606779965 /nfs/dbraw/zinc/77/99/65/606779965.db2.gz NDYSWOBMQQARAM-QLFBSQMISA-N -1 1 399.503 0.957 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cn2cccnc2n1 ZINC000820804593 606780573 /nfs/dbraw/zinc/78/05/73/606780573.db2.gz VOAMICZGOAMDBI-GFCCVEGCSA-N -1 1 377.416 0.410 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cn2cccnc2n1 ZINC000820804593 606780574 /nfs/dbraw/zinc/78/05/74/606780574.db2.gz VOAMICZGOAMDBI-GFCCVEGCSA-N -1 1 377.416 0.410 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC1CCCCC1 ZINC000820788918 606782255 /nfs/dbraw/zinc/78/22/55/606782255.db2.gz RIKGVKHFNOJWOC-ZDUSSCGKSA-N -1 1 385.476 0.616 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC1CCCCC1 ZINC000820788918 606782257 /nfs/dbraw/zinc/78/22/57/606782257.db2.gz RIKGVKHFNOJWOC-ZDUSSCGKSA-N -1 1 385.476 0.616 20 0 GCADMM CCCCn1nnnc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821083027 606782813 /nfs/dbraw/zinc/78/28/13/606782813.db2.gz RTCPWBPTFGLJPS-LBPRGKRZSA-N -1 1 384.452 0.154 20 0 GCADMM CCCCn1nnnc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821083027 606782815 /nfs/dbraw/zinc/78/28/15/606782815.db2.gz RTCPWBPTFGLJPS-LBPRGKRZSA-N -1 1 384.452 0.154 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1nccs1 ZINC000820788383 606788763 /nfs/dbraw/zinc/78/87/63/606788763.db2.gz FXLJRJMKRHVXKQ-JTQLQIEISA-N -1 1 386.445 0.534 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1nccs1 ZINC000820788383 606788766 /nfs/dbraw/zinc/78/87/66/606788766.db2.gz FXLJRJMKRHVXKQ-JTQLQIEISA-N -1 1 386.445 0.534 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCOC(C)(C)C ZINC000820788727 606790724 /nfs/dbraw/zinc/79/07/24/606790724.db2.gz NBOCOKNDSGYNEP-GFCCVEGCSA-N -1 1 389.464 0.692 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCOC(C)(C)C ZINC000820788727 606790726 /nfs/dbraw/zinc/79/07/26/606790726.db2.gz NBOCOKNDSGYNEP-GFCCVEGCSA-N -1 1 389.464 0.692 20 0 GCADMM CC[C@@H](COC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820909115 606792259 /nfs/dbraw/zinc/79/22/59/606792259.db2.gz UABZCRJFKRCVCL-RYUDHWBXSA-N -1 1 375.437 0.302 20 0 GCADMM CC[C@@H](COC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820909115 606792260 /nfs/dbraw/zinc/79/22/60/606792260.db2.gz UABZCRJFKRCVCL-RYUDHWBXSA-N -1 1 375.437 0.302 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCOCC1CC1 ZINC000820788875 606792367 /nfs/dbraw/zinc/79/23/67/606792367.db2.gz QDUDUGRRNAXCEG-GFCCVEGCSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCOCC1CC1 ZINC000820788875 606792369 /nfs/dbraw/zinc/79/23/69/606792369.db2.gz QDUDUGRRNAXCEG-GFCCVEGCSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cnn(C)c1 ZINC000820350736 606793292 /nfs/dbraw/zinc/79/32/92/606793292.db2.gz LLADQMRQCZILLF-NWDGAFQWSA-N -1 1 397.447 0.372 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cnn(C)c1 ZINC000820350736 606793293 /nfs/dbraw/zinc/79/32/93/606793293.db2.gz LLADQMRQCZILLF-NWDGAFQWSA-N -1 1 397.447 0.372 20 0 GCADMM Cc1cnn(CCNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822403871 606793822 /nfs/dbraw/zinc/79/38/22/606793822.db2.gz YKQQDDDOIQVKGV-CYBMUJFWSA-N -1 1 397.447 0.082 20 0 GCADMM Cc1cnn(CCNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822403871 606793824 /nfs/dbraw/zinc/79/38/24/606793824.db2.gz YKQQDDDOIQVKGV-CYBMUJFWSA-N -1 1 397.447 0.082 20 0 GCADMM COC[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000821682413 606794681 /nfs/dbraw/zinc/79/46/81/606794681.db2.gz DXRAFZCLZDJQJV-CHWSQXEVSA-N -1 1 389.464 0.548 20 0 GCADMM COC[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000821682413 606794683 /nfs/dbraw/zinc/79/46/83/606794683.db2.gz DXRAFZCLZDJQJV-CHWSQXEVSA-N -1 1 389.464 0.548 20 0 GCADMM COC(C)(C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821672231 606794917 /nfs/dbraw/zinc/79/49/17/606794917.db2.gz DBSRRDAXZNENMZ-NSHDSACASA-N -1 1 375.437 0.302 20 0 GCADMM COC(C)(C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821672231 606794919 /nfs/dbraw/zinc/79/49/19/606794919.db2.gz DBSRRDAXZNENMZ-NSHDSACASA-N -1 1 375.437 0.302 20 0 GCADMM O=c1c(-c2nn[n-]n2)cn(CC2(CO)COC2)c2ccc(Br)cc12 ZINC000823658059 606795513 /nfs/dbraw/zinc/79/55/13/606795513.db2.gz ZMGALLLGMAAZBJ-UHFFFAOYSA-N -1 1 392.213 0.953 20 0 GCADMM Cc1noc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822520188 606796565 /nfs/dbraw/zinc/79/65/65/606796565.db2.gz SIERCYVJFNGJED-NXEZZACHSA-N -1 1 399.419 0.329 20 0 GCADMM Cc1noc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822520188 606796568 /nfs/dbraw/zinc/79/65/68/606796568.db2.gz SIERCYVJFNGJED-NXEZZACHSA-N -1 1 399.419 0.329 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000822006170 606805132 /nfs/dbraw/zinc/80/51/32/606805132.db2.gz YLASTZPOQLTBCG-VIFPVBQESA-N -1 1 396.473 0.456 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2c1CN(C)CC2 ZINC000820803635 606806657 /nfs/dbraw/zinc/80/66/57/606806657.db2.gz DLSQDXAONMMIQI-GFCCVEGCSA-N -1 1 393.459 0.150 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2c1CN(C)CC2 ZINC000820803635 606806658 /nfs/dbraw/zinc/80/66/58/606806658.db2.gz DLSQDXAONMMIQI-GFCCVEGCSA-N -1 1 393.459 0.150 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2c1cnn2C ZINC000820803912 606806932 /nfs/dbraw/zinc/80/69/32/606806932.db2.gz JPSPNZOHNWPALL-SNVBAGLBSA-N -1 1 378.404 0.049 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2c1cnn2C ZINC000820803912 606806934 /nfs/dbraw/zinc/80/69/34/606806934.db2.gz JPSPNZOHNWPALL-SNVBAGLBSA-N -1 1 378.404 0.049 20 0 GCADMM Cc1cn2nc(N3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C)sc2n1 ZINC000822389445 606807785 /nfs/dbraw/zinc/80/77/85/606807785.db2.gz WNAUOZKJAQWZMG-SNVBAGLBSA-N -1 1 383.445 0.784 20 0 GCADMM Cc1cn2nc(N3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C)sc2n1 ZINC000822389445 606807787 /nfs/dbraw/zinc/80/77/87/606807787.db2.gz WNAUOZKJAQWZMG-SNVBAGLBSA-N -1 1 383.445 0.784 20 0 GCADMM COC[C@](C)(NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(=O)OC ZINC000821680172 606814512 /nfs/dbraw/zinc/81/45/12/606814512.db2.gz BFBMAMHILJKJKP-KRWDZBQOSA-N -1 1 392.416 0.211 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822197624 606819206 /nfs/dbraw/zinc/81/92/06/606819206.db2.gz IOTMWTTXYYTBHK-ZDUSSCGKSA-N -1 1 382.432 0.207 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822197624 606819208 /nfs/dbraw/zinc/81/92/08/606819208.db2.gz IOTMWTTXYYTBHK-ZDUSSCGKSA-N -1 1 382.432 0.207 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CSc1ccncc1 ZINC000820774785 606819694 /nfs/dbraw/zinc/81/96/94/606819694.db2.gz GARYFMGXNODBCY-GFCCVEGCSA-N -1 1 397.468 0.881 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CSc1ccncc1 ZINC000820774785 606819696 /nfs/dbraw/zinc/81/96/96/606819696.db2.gz GARYFMGXNODBCY-GFCCVEGCSA-N -1 1 397.468 0.881 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2csc(N(C)C3CC3)n2)c1 ZINC000821667194 606820272 /nfs/dbraw/zinc/82/02/72/606820272.db2.gz ZDCSRLCDIDESFT-UHFFFAOYSA-N -1 1 387.425 0.918 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn2ccccc2n1 ZINC000820789233 606820271 /nfs/dbraw/zinc/82/02/71/606820271.db2.gz YLZMJBOTHKALEC-GFCCVEGCSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn2ccccc2n1 ZINC000820789233 606820273 /nfs/dbraw/zinc/82/02/73/606820273.db2.gz YLZMJBOTHKALEC-GFCCVEGCSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1ccsc1 ZINC000820775904 606821403 /nfs/dbraw/zinc/82/14/03/606821403.db2.gz JTIIGWNPGRXNNE-SNVBAGLBSA-N -1 1 399.440 0.394 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1ccsc1 ZINC000820775904 606821405 /nfs/dbraw/zinc/82/14/05/606821405.db2.gz JTIIGWNPGRXNNE-SNVBAGLBSA-N -1 1 399.440 0.394 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccn1 ZINC000820775908 606825024 /nfs/dbraw/zinc/82/50/24/606825024.db2.gz JUZQKSXTLXETKX-ZDUSSCGKSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccn1 ZINC000820775908 606825025 /nfs/dbraw/zinc/82/50/25/606825025.db2.gz JUZQKSXTLXETKX-ZDUSSCGKSA-N -1 1 382.432 0.371 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000821859084 606825267 /nfs/dbraw/zinc/82/52/67/606825267.db2.gz KXPSDNUFYHXJNL-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000821859084 606825268 /nfs/dbraw/zinc/82/52/68/606825268.db2.gz KXPSDNUFYHXJNL-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM Cc1cc(OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000822210553 606825601 /nfs/dbraw/zinc/82/56/01/606825601.db2.gz HEZPQNTXEYCDTD-SNVBAGLBSA-N -1 1 385.388 0.069 20 0 GCADMM Cc1cc(OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000822210553 606825602 /nfs/dbraw/zinc/82/56/02/606825602.db2.gz HEZPQNTXEYCDTD-SNVBAGLBSA-N -1 1 385.388 0.069 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2c1OCO2 ZINC000820789183 606829589 /nfs/dbraw/zinc/82/95/89/606829589.db2.gz XCVJIONBJJTYAB-LLVKDONJSA-N -1 1 394.395 0.736 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2c1OCO2 ZINC000820789183 606829591 /nfs/dbraw/zinc/82/95/91/606829591.db2.gz XCVJIONBJJTYAB-LLVKDONJSA-N -1 1 394.395 0.736 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)s1 ZINC000820788330 606829817 /nfs/dbraw/zinc/82/98/17/606829817.db2.gz DNQXUHIFDFXXNG-VIFPVBQESA-N -1 1 399.440 0.168 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)s1 ZINC000820788330 606829818 /nfs/dbraw/zinc/82/98/18/606829818.db2.gz DNQXUHIFDFXXNG-VIFPVBQESA-N -1 1 399.440 0.168 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821568395 606830569 /nfs/dbraw/zinc/83/05/69/606830569.db2.gz SFSAFWBALNPPPW-GFCCVEGCSA-N -1 1 382.432 0.532 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821568395 606830570 /nfs/dbraw/zinc/83/05/70/606830570.db2.gz SFSAFWBALNPPPW-GFCCVEGCSA-N -1 1 382.432 0.532 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822414608 606830583 /nfs/dbraw/zinc/83/05/83/606830583.db2.gz NGBJPWMJYFTRGJ-NSHDSACASA-N -1 1 396.459 0.667 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822414608 606830584 /nfs/dbraw/zinc/83/05/84/606830584.db2.gz NGBJPWMJYFTRGJ-NSHDSACASA-N -1 1 396.459 0.667 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccncc1 ZINC000820776730 606831728 /nfs/dbraw/zinc/83/17/28/606831728.db2.gz NBXQDSDEZOFMCV-ZDUSSCGKSA-N -1 1 379.428 0.722 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccncc1 ZINC000820776730 606831730 /nfs/dbraw/zinc/83/17/30/606831730.db2.gz NBXQDSDEZOFMCV-ZDUSSCGKSA-N -1 1 379.428 0.722 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)Nc1ccccc1 ZINC000820776696 606831779 /nfs/dbraw/zinc/83/17/79/606831779.db2.gz MNVSZXJMTOQJKM-LBPRGKRZSA-N -1 1 393.411 0.333 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)Nc1ccccc1 ZINC000820776696 606831780 /nfs/dbraw/zinc/83/17/80/606831780.db2.gz MNVSZXJMTOQJKM-LBPRGKRZSA-N -1 1 393.411 0.333 20 0 GCADMM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820010769 606840580 /nfs/dbraw/zinc/84/05/80/606840580.db2.gz DNYCAGCWRXZKJC-UHFFFAOYSA-N -1 1 382.421 0.495 20 0 GCADMM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820295173 606843493 /nfs/dbraw/zinc/84/34/93/606843493.db2.gz ZVJTVCXFNWWERV-QMMMGPOBSA-N -1 1 377.423 0.059 20 0 GCADMM O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823530455 606844639 /nfs/dbraw/zinc/84/46/39/606844639.db2.gz KKZFBRZGLCTJIA-UHFFFAOYSA-N -1 1 394.432 0.781 20 0 GCADMM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000823530118 606844683 /nfs/dbraw/zinc/84/46/83/606844683.db2.gz DGBVMDQJJUFXEF-LBPRGKRZSA-N -1 1 394.432 0.781 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](N2CCOCC2)C1 ZINC000823601179 606845995 /nfs/dbraw/zinc/84/59/95/606845995.db2.gz VBYBXLLZNDBBEZ-LBPRGKRZSA-N -1 1 382.421 0.101 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823606262 606847515 /nfs/dbraw/zinc/84/75/15/606847515.db2.gz HSTMNBZZVVAGMI-STQMWFEESA-N -1 1 383.405 0.574 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCCO[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000821979284 606853584 /nfs/dbraw/zinc/85/35/84/606853584.db2.gz QPOADVWMCFDILJ-SECBINFHSA-N -1 1 380.430 0.615 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(O)c1 ZINC000821769440 606855473 /nfs/dbraw/zinc/85/54/73/606855473.db2.gz HNLNHQSOIGDUHS-NSHDSACASA-N -1 1 396.411 0.722 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(O)c1 ZINC000821769440 606855474 /nfs/dbraw/zinc/85/54/74/606855474.db2.gz HNLNHQSOIGDUHS-NSHDSACASA-N -1 1 396.411 0.722 20 0 GCADMM CCn1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1C ZINC000821566597 606855667 /nfs/dbraw/zinc/85/56/67/606855667.db2.gz LGFVIHQBTGBQLS-LLVKDONJSA-N -1 1 396.459 0.841 20 0 GCADMM CCn1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1C ZINC000821566597 606855669 /nfs/dbraw/zinc/85/56/69/606855669.db2.gz LGFVIHQBTGBQLS-LLVKDONJSA-N -1 1 396.459 0.841 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC000821979762 606914860 /nfs/dbraw/zinc/91/48/60/606914860.db2.gz WGYYLYZYRKFPAG-LDYMZIIASA-N -1 1 391.457 0.853 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NCCC(=O)NC(N)=O)c1-c1nn[n-]n1 ZINC000821988782 606953869 /nfs/dbraw/zinc/95/38/69/606953869.db2.gz GZWVXKWQEWXVPB-UHFFFAOYSA-N -1 1 390.429 0.176 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000822609856 606956192 /nfs/dbraw/zinc/95/61/92/606956192.db2.gz XGEOOMRQUCMDFA-UKRRQHHQSA-N -1 1 398.427 0.957 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000822609856 606956193 /nfs/dbraw/zinc/95/61/93/606956193.db2.gz XGEOOMRQUCMDFA-UKRRQHHQSA-N -1 1 398.427 0.957 20 0 GCADMM O=C(Nc1cccnn1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823373244 606956637 /nfs/dbraw/zinc/95/66/37/606956637.db2.gz ULZKQGONUVTJKL-UHFFFAOYSA-N -1 1 382.388 0.876 20 0 GCADMM COCCc1noc(CN(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)n1 ZINC000821694463 606983836 /nfs/dbraw/zinc/98/38/36/606983836.db2.gz OBZDYDOXSXGXAF-UHFFFAOYSA-N -1 1 390.404 0.719 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000822004447 606985699 /nfs/dbraw/zinc/98/56/99/606985699.db2.gz HMHVTRNQBBGHRS-LBPRGKRZSA-N -1 1 382.428 0.914 20 0 GCADMM O=C(C[C@H]1COC(=O)C1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823519889 606996014 /nfs/dbraw/zinc/99/60/14/606996014.db2.gz JNXNMXSZCVWGEH-SNVBAGLBSA-N -1 1 387.400 0.334 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](Cc2ccccc2)C(F)(F)F)n(C)c1=O ZINC000822600098 607029690 /nfs/dbraw/zinc/02/96/90/607029690.db2.gz JPCIVSOIROEHQJ-JTQLQIEISA-N -1 1 395.345 0.850 20 0 GCADMM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820994878 607063559 /nfs/dbraw/zinc/06/35/59/607063559.db2.gz LKDODPNKMYFHBZ-ZJUUUORDSA-N -1 1 384.487 0.718 20 0 GCADMM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820994878 607063560 /nfs/dbraw/zinc/06/35/60/607063560.db2.gz LKDODPNKMYFHBZ-ZJUUUORDSA-N -1 1 384.487 0.718 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccc(F)nc1 ZINC000820788292 607078353 /nfs/dbraw/zinc/07/83/53/607078353.db2.gz CGGLAYRMKSKJPD-SNVBAGLBSA-N -1 1 384.379 0.933 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccc(F)nc1 ZINC000820788292 607078355 /nfs/dbraw/zinc/07/83/55/607078355.db2.gz CGGLAYRMKSKJPD-SNVBAGLBSA-N -1 1 384.379 0.933 20 0 GCADMM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820384625 607103968 /nfs/dbraw/zinc/10/39/68/607103968.db2.gz JHODTDAPDSISBP-SSDOTTSWSA-N -1 1 383.397 0.957 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccs1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822969627 607110087 /nfs/dbraw/zinc/11/00/87/607110087.db2.gz UMKZRBWUUDIMCH-UHFFFAOYSA-N -1 1 385.456 0.692 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccs1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822969627 607110088 /nfs/dbraw/zinc/11/00/88/607110088.db2.gz UMKZRBWUUDIMCH-UHFFFAOYSA-N -1 1 385.456 0.692 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2nnc(-c3ccccc3)s2)n(C)c1=O ZINC000822599988 607118174 /nfs/dbraw/zinc/11/81/74/607118174.db2.gz IEHKPLOPCRECOC-UHFFFAOYSA-N -1 1 397.424 0.395 20 0 GCADMM CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)o1 ZINC000821496100 607125432 /nfs/dbraw/zinc/12/54/32/607125432.db2.gz CEFRRZMZLBHRFD-LBPRGKRZSA-N -1 1 383.416 0.835 20 0 GCADMM CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)o1 ZINC000821496100 607125434 /nfs/dbraw/zinc/12/54/34/607125434.db2.gz CEFRRZMZLBHRFD-LBPRGKRZSA-N -1 1 383.416 0.835 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCNC(=O)OC(C)(C)C ZINC000820788817 607127515 /nfs/dbraw/zinc/12/75/15/607127515.db2.gz OZJJTUKSWONJBA-GFCCVEGCSA-N -1 1 389.464 0.692 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCNC(=O)OC(C)(C)C ZINC000820788817 607127516 /nfs/dbraw/zinc/12/75/16/607127516.db2.gz OZJJTUKSWONJBA-GFCCVEGCSA-N -1 1 389.464 0.692 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCS[C@H]2COCC[C@H]21 ZINC000823605803 607146315 /nfs/dbraw/zinc/14/63/15/607146315.db2.gz BIGBSUMQUPXIBG-NEPJUHHUSA-N -1 1 385.446 0.901 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819933570 607146479 /nfs/dbraw/zinc/14/64/79/607146479.db2.gz WQSSPSLRFQIDER-JTQLQIEISA-N -1 1 392.420 0.702 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)COc2cccc3[nH]ccc32)c1=O ZINC000821565486 607150789 /nfs/dbraw/zinc/15/07/89/607150789.db2.gz VBRGQCNKUZAPLJ-LLVKDONJSA-N -1 1 397.395 0.131 20 0 GCADMM Cc1nnnn1-c1ccc(F)c(NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000822519432 607159119 /nfs/dbraw/zinc/15/91/19/607159119.db2.gz GYWFSUZAISLPMN-UHFFFAOYSA-N -1 1 396.346 0.090 20 0 GCADMM C[C@@H](O)CCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000736142169 607183786 /nfs/dbraw/zinc/18/37/86/607183786.db2.gz DKOUHQCKCQQHLT-LLVKDONJSA-N -1 1 397.395 0.880 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1ncnn1C ZINC000822457836 607185331 /nfs/dbraw/zinc/18/53/31/607185331.db2.gz AKTAAQFXFSCERQ-UHFFFAOYSA-N -1 1 382.388 0.331 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1ncnn1C ZINC000822457836 607185332 /nfs/dbraw/zinc/18/53/32/607185332.db2.gz AKTAAQFXFSCERQ-UHFFFAOYSA-N -1 1 382.388 0.331 20 0 GCADMM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)n1ncc(-c3nn[n-]n3)c1N)C2=O ZINC000820595384 607194201 /nfs/dbraw/zinc/19/42/01/607194201.db2.gz HZIWZKWJBBIANS-INIZCTEOSA-N -1 1 387.404 0.176 20 0 GCADMM Cc1cnc(CN(C)[C@@H]2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)o1 ZINC000822389533 607194868 /nfs/dbraw/zinc/19/48/68/607194868.db2.gz ZRKCDGXRMBQZKG-LLVKDONJSA-N -1 1 386.420 0.635 20 0 GCADMM Cc1cnc(CN(C)[C@@H]2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)o1 ZINC000822389533 607194869 /nfs/dbraw/zinc/19/48/69/607194869.db2.gz ZRKCDGXRMBQZKG-LLVKDONJSA-N -1 1 386.420 0.635 20 0 GCADMM Cc1cnc(CN(C)[C@H]2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)o1 ZINC000822389534 607194871 /nfs/dbraw/zinc/19/48/71/607194871.db2.gz ZRKCDGXRMBQZKG-NSHDSACASA-N -1 1 386.420 0.635 20 0 GCADMM Cc1cnc(CN(C)[C@H]2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)o1 ZINC000822389534 607194872 /nfs/dbraw/zinc/19/48/72/607194872.db2.gz ZRKCDGXRMBQZKG-NSHDSACASA-N -1 1 386.420 0.635 20 0 GCADMM CN(C)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC000821580013 607205875 /nfs/dbraw/zinc/20/58/75/607205875.db2.gz WIVIBCCDBCQNQO-LBPRGKRZSA-N -1 1 375.824 0.531 20 0 GCADMM Cn1ccnc1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC000822693417 607206164 /nfs/dbraw/zinc/20/61/64/607206164.db2.gz CROJCIBJWFOJND-ZDUSSCGKSA-N -1 1 382.363 0.237 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000823136209 607206437 /nfs/dbraw/zinc/20/64/37/607206437.db2.gz ONHBMNBBBAYHMI-NSHDSACASA-N -1 1 397.399 0.006 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000823136208 607206506 /nfs/dbraw/zinc/20/65/06/607206506.db2.gz ONHBMNBBBAYHMI-LLVKDONJSA-N -1 1 397.399 0.006 20 0 GCADMM CN(C)C(=O)c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1Cl ZINC000821577940 607207467 /nfs/dbraw/zinc/20/74/67/607207467.db2.gz FNPODVBZHFVQIZ-UHFFFAOYSA-N -1 1 375.780 0.452 20 0 GCADMM CCN(CC)C(=O)COc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821175418 607207550 /nfs/dbraw/zinc/20/75/50/607207550.db2.gz MOVHQPZLUVSVLD-UHFFFAOYSA-N -1 1 399.415 0.344 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000823149674 607207688 /nfs/dbraw/zinc/20/76/88/607207688.db2.gz GFJZNQKEPXYGHO-UHFFFAOYSA-N -1 1 399.390 0.018 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000823136183 607207843 /nfs/dbraw/zinc/20/78/43/607207843.db2.gz NOZHPPXQJQLZOZ-UHFFFAOYSA-N -1 1 397.399 0.098 20 0 GCADMM CC1CCN(c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)CC1 ZINC000820727660 607207990 /nfs/dbraw/zinc/20/79/90/607207990.db2.gz NMHDISVDLQSCPO-UHFFFAOYSA-N -1 1 382.432 0.406 20 0 GCADMM CCOCCCNC(=O)c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821378105 607208014 /nfs/dbraw/zinc/20/80/14/607208014.db2.gz ISRUYXGUPCSIBI-UHFFFAOYSA-N -1 1 399.415 0.253 20 0 GCADMM Cc1ccc(NC(=O)C2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)nc1 ZINC000822242227 607209056 /nfs/dbraw/zinc/20/90/56/607209056.db2.gz FGJRQMLPLUFYNX-UHFFFAOYSA-N -1 1 396.415 0.039 20 0 GCADMM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)n1 ZINC000822323707 607209062 /nfs/dbraw/zinc/20/90/62/607209062.db2.gz NOYZPZCAJKJZNZ-GFCCVEGCSA-N -1 1 396.415 0.039 20 0 GCADMM Cc1ccccc1C1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCOCC1 ZINC000822352155 607210381 /nfs/dbraw/zinc/21/03/81/607210381.db2.gz VKGGVCDLMDNHSF-UHFFFAOYSA-N -1 1 382.428 0.631 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000823149381 607211891 /nfs/dbraw/zinc/21/18/91/607211891.db2.gz ACEQQVFPVNPEIJ-UHFFFAOYSA-N -1 1 387.448 0.146 20 0 GCADMM CC(C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2ccncc2)no1 ZINC000820028243 607212249 /nfs/dbraw/zinc/21/22/49/607212249.db2.gz XIRZQJXGIDVAQE-LBPRGKRZSA-N -1 1 395.387 0.417 20 0 GCADMM CC(C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2cccnc2)no1 ZINC000820027421 607212437 /nfs/dbraw/zinc/21/24/37/607212437.db2.gz RVFKSTJGFMOXGT-GFCCVEGCSA-N -1 1 395.387 0.417 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000823127122 607212924 /nfs/dbraw/zinc/21/29/24/607212924.db2.gz UDASLAWACFQAPO-WDEREUQCSA-N -1 1 389.217 0.893 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccnc(OC2CCCCC2)c1 ZINC000823131947 607212995 /nfs/dbraw/zinc/21/29/95/607212995.db2.gz RUWKXSNCKQXSCH-UHFFFAOYSA-N -1 1 383.416 0.881 20 0 GCADMM Cc1ccc(C(=O)N2CCC(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000822226124 607213435 /nfs/dbraw/zinc/21/34/35/607213435.db2.gz DOCFBABFOMEJSQ-UHFFFAOYSA-N -1 1 395.427 0.188 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000823126000 607213819 /nfs/dbraw/zinc/21/38/19/607213819.db2.gz FAGSGJPIVQXXSD-LBPRGKRZSA-N -1 1 382.384 0.593 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000823125999 607213840 /nfs/dbraw/zinc/21/38/40/607213840.db2.gz FAGSGJPIVQXXSD-GFCCVEGCSA-N -1 1 382.384 0.593 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000823123442 607216215 /nfs/dbraw/zinc/21/62/15/607216215.db2.gz ZXPQNTMCPSHTTD-UHFFFAOYSA-N -1 1 393.455 0.760 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Br)cc1F ZINC000823132029 607216311 /nfs/dbraw/zinc/21/63/11/607216311.db2.gz WBZZMVMOQIZNCJ-UHFFFAOYSA-N -1 1 381.169 0.676 20 0 GCADMM C[S@@](=O)Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1Cl ZINC000821941120 607217485 /nfs/dbraw/zinc/21/74/85/607217485.db2.gz CJWLHINJXICWCH-RUZDIDTESA-N -1 1 380.821 0.629 20 0 GCADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1OC1CCOCC1 ZINC000822208315 607219164 /nfs/dbraw/zinc/21/91/64/607219164.db2.gz LZLOUUJWBSWNLH-UHFFFAOYSA-N -1 1 384.400 0.963 20 0 GCADMM Cc1ccc(NC(=O)N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000822248722 607219521 /nfs/dbraw/zinc/21/95/21/607219521.db2.gz KPFBHEXALYIXGX-UHFFFAOYSA-N -1 1 396.415 0.143 20 0 GCADMM Cc1cccc(C2(O)CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1C ZINC000822299511 607219527 /nfs/dbraw/zinc/21/95/27/607219527.db2.gz LGRJQLHKRVKOIS-UHFFFAOYSA-N -1 1 382.428 0.585 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2cccc(F)c2)no1 ZINC000820335125 607220043 /nfs/dbraw/zinc/22/00/43/607220043.db2.gz TXESQOGDIGIJCY-QMMMGPOBSA-N -1 1 384.335 0.525 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000823176583 607221167 /nfs/dbraw/zinc/22/11/67/607221167.db2.gz VRRZKSOFSHKITK-CQSZACIVSA-N -1 1 395.427 0.269 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000823127132 607221720 /nfs/dbraw/zinc/22/17/20/607221720.db2.gz UJPFECWWSDZUCY-NSHDSACASA-N -1 1 387.791 0.033 20 0 GCADMM Cc1ccnc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000822379758 607222346 /nfs/dbraw/zinc/22/23/46/607222346.db2.gz UADPQPXKTCWJAA-UHFFFAOYSA-N -1 1 378.356 0.988 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000823126327 607222664 /nfs/dbraw/zinc/22/26/64/607222664.db2.gz HZMGHKBSVNKLHY-SECBINFHSA-N -1 1 375.343 0.132 20 0 GCADMM CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821043874 607223004 /nfs/dbraw/zinc/22/30/04/607223004.db2.gz UTTJVVRUYIMKHI-NSHDSACASA-N -1 1 393.452 0.658 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572862 607231016 /nfs/dbraw/zinc/23/10/16/607231016.db2.gz OCMJKBNAWVMAMI-HZMBPMFUSA-N -1 1 382.471 0.595 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572862 607231017 /nfs/dbraw/zinc/23/10/17/607231017.db2.gz OCMJKBNAWVMAMI-HZMBPMFUSA-N -1 1 382.471 0.595 20 0 GCADMM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826174601 607792371 /nfs/dbraw/zinc/79/23/71/607792371.db2.gz CMDGAGJYBCFZDW-LLVKDONJSA-N -1 1 385.388 0.173 20 0 GCADMM O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488585 607812243 /nfs/dbraw/zinc/81/22/43/607812243.db2.gz UDTBFXLZWMSEPF-LLVKDONJSA-N -1 1 389.416 0.958 20 0 GCADMM O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488585 607812244 /nfs/dbraw/zinc/81/22/44/607812244.db2.gz UDTBFXLZWMSEPF-LLVKDONJSA-N -1 1 389.416 0.958 20 0 GCADMM O=S(=O)(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487064 607818982 /nfs/dbraw/zinc/81/89/82/607818982.db2.gz BYPQYJWUHSGXNF-IUODEOHRSA-N -1 1 390.425 0.025 20 0 GCADMM O=S(=O)(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487064 607818983 /nfs/dbraw/zinc/81/89/83/607818983.db2.gz BYPQYJWUHSGXNF-IUODEOHRSA-N -1 1 390.425 0.025 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](C)S(C)(=O)=O ZINC000826340846 607826049 /nfs/dbraw/zinc/82/60/49/607826049.db2.gz MTOBDNKMNAHDOJ-VIFPVBQESA-N -1 1 378.414 0.722 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](C)S(C)(=O)=O ZINC000826340846 607826050 /nfs/dbraw/zinc/82/60/50/607826050.db2.gz MTOBDNKMNAHDOJ-VIFPVBQESA-N -1 1 378.414 0.722 20 0 GCADMM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825938391 607835001 /nfs/dbraw/zinc/83/50/01/607835001.db2.gz RGTKFQGMYLAECD-UHFFFAOYSA-N -1 1 395.383 0.360 20 0 GCADMM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825938391 607835002 /nfs/dbraw/zinc/83/50/02/607835002.db2.gz RGTKFQGMYLAECD-UHFFFAOYSA-N -1 1 395.383 0.360 20 0 GCADMM O=c1cc(Cn2nc(C(F)(F)F)ccc2=O)[nH]c2c(-c3nn[n-]n3)cnn21 ZINC000826502233 607846646 /nfs/dbraw/zinc/84/66/46/607846646.db2.gz ZRDYVEYQWYTRKX-UHFFFAOYSA-N -1 1 379.262 0.239 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)[C@H]2C1 ZINC000826145535 607852745 /nfs/dbraw/zinc/85/27/45/607852745.db2.gz IKTJJHDRZYMJKM-KWCYVHTRSA-N -1 1 397.432 0.963 20 0 GCADMM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000823972589 607852816 /nfs/dbraw/zinc/85/28/16/607852816.db2.gz CSPURZRTFHLESX-NSHDSACASA-N -1 1 382.421 0.495 20 0 GCADMM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000823972589 607852817 /nfs/dbraw/zinc/85/28/17/607852817.db2.gz CSPURZRTFHLESX-NSHDSACASA-N -1 1 382.421 0.495 20 0 GCADMM CCc1nn(C)c(CC)c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825759656 607852822 /nfs/dbraw/zinc/85/28/22/607852822.db2.gz MKAREVOZDPUBRI-UHFFFAOYSA-N -1 1 376.446 0.599 20 0 GCADMM CCc1nn(C)c(CC)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825759656 607852823 /nfs/dbraw/zinc/85/28/23/607852823.db2.gz MKAREVOZDPUBRI-UHFFFAOYSA-N -1 1 376.446 0.599 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)[C@@H]2C1 ZINC000826145853 607852880 /nfs/dbraw/zinc/85/28/80/607852880.db2.gz MYGSTARSUGNHOH-HONMWMINSA-N -1 1 380.430 0.219 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)[C@@H]2C1 ZINC000826145853 607852881 /nfs/dbraw/zinc/85/28/81/607852881.db2.gz MYGSTARSUGNHOH-HONMWMINSA-N -1 1 380.430 0.219 20 0 GCADMM CNC(=O)[C@H](NC(=O)COc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826053164 607866172 /nfs/dbraw/zinc/86/61/72/607866172.db2.gz UQUUABJHGNYCLD-MRXNPFEDSA-N -1 1 384.371 0.988 20 0 GCADMM CNC(=O)[C@H](NC(=O)COc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826053164 607866173 /nfs/dbraw/zinc/86/61/73/607866173.db2.gz UQUUABJHGNYCLD-MRXNPFEDSA-N -1 1 384.371 0.988 20 0 GCADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1cccc(F)c1-c1nn[nH]n1 ZINC000825564738 607867480 /nfs/dbraw/zinc/86/74/80/607867480.db2.gz DUWSGZQANQENTQ-UHFFFAOYSA-N -1 1 382.333 0.673 20 0 GCADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1cccc(F)c1-c1nn[nH]n1 ZINC000825553354 607867500 /nfs/dbraw/zinc/86/75/00/607867500.db2.gz PAXLWRPXHXZYQC-UHFFFAOYSA-N -1 1 396.360 0.982 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826090980 607881894 /nfs/dbraw/zinc/88/18/94/607881894.db2.gz TXCBWKIYUHEUPW-UHFFFAOYSA-N -1 1 376.398 0.640 20 0 GCADMM Cc1nnc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c(C(N)=O)c1C ZINC000826335795 607899229 /nfs/dbraw/zinc/89/92/29/607899229.db2.gz BSPQRMXIDSSIJU-UHFFFAOYSA-N -1 1 380.416 0.094 20 0 GCADMM Cc1nnc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c(C(N)=O)c1C ZINC000826335795 607899230 /nfs/dbraw/zinc/89/92/30/607899230.db2.gz BSPQRMXIDSSIJU-UHFFFAOYSA-N -1 1 380.416 0.094 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CCOCC1 ZINC000824040425 607905936 /nfs/dbraw/zinc/90/59/36/607905936.db2.gz POTJMBBYOUSFFV-QWHCGFSZSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CCOCC1 ZINC000824040425 607905937 /nfs/dbraw/zinc/90/59/37/607905937.db2.gz POTJMBBYOUSFFV-QWHCGFSZSA-N -1 1 386.460 0.757 20 0 GCADMM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489576 607906497 /nfs/dbraw/zinc/90/64/97/607906497.db2.gz UOWGBEFYTCGHKT-JTQLQIEISA-N -1 1 381.389 0.728 20 0 GCADMM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489576 607906498 /nfs/dbraw/zinc/90/64/98/607906498.db2.gz UOWGBEFYTCGHKT-JTQLQIEISA-N -1 1 381.389 0.728 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825213162 607906971 /nfs/dbraw/zinc/90/69/71/607906971.db2.gz VZVAMJOQEMDCSV-BXUZGUMPSA-N -1 1 396.448 0.931 20 0 GCADMM CC(C)C(=O)NCCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824177737 607907445 /nfs/dbraw/zinc/90/74/45/607907445.db2.gz JTKGLQSAZZXSLD-UHFFFAOYSA-N -1 1 386.865 0.961 20 0 GCADMM CC(C)C(=O)NCCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824177737 607907446 /nfs/dbraw/zinc/90/74/46/607907446.db2.gz JTKGLQSAZZXSLD-UHFFFAOYSA-N -1 1 386.865 0.961 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)co1 ZINC000826090382 607909202 /nfs/dbraw/zinc/90/92/02/607909202.db2.gz GTRPUVGEQPPAOB-UHFFFAOYSA-N -1 1 388.409 0.787 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)n1 ZINC000826356876 607920173 /nfs/dbraw/zinc/92/01/73/607920173.db2.gz JKUCCIURVUTBMV-GFCCVEGCSA-N -1 1 390.429 0.508 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)n1 ZINC000826356876 607920174 /nfs/dbraw/zinc/92/01/74/607920174.db2.gz JKUCCIURVUTBMV-GFCCVEGCSA-N -1 1 390.429 0.508 20 0 GCADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826067085 607929288 /nfs/dbraw/zinc/92/92/88/607929288.db2.gz AKEKGARWERGYOH-JTQLQIEISA-N -1 1 379.446 0.580 20 0 GCADMM CC(C)(C)c1cc(NC(=O)c2cn(CC(N)=O)nn2)c(-c2nnn[n-]2)s1 ZINC000824130931 607930082 /nfs/dbraw/zinc/93/00/82/607930082.db2.gz SLPGMOVKZHETMP-UHFFFAOYSA-N -1 1 375.418 0.555 20 0 GCADMM CC(C)(C)c1cc(NC(=O)c2cn(CC(N)=O)nn2)c(-c2nn[n-]n2)s1 ZINC000824130931 607930083 /nfs/dbraw/zinc/93/00/83/607930083.db2.gz SLPGMOVKZHETMP-UHFFFAOYSA-N -1 1 375.418 0.555 20 0 GCADMM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825659682 607937484 /nfs/dbraw/zinc/93/74/84/607937484.db2.gz YZUFTAYJCMWUMS-QMMMGPOBSA-N -1 1 377.423 0.107 20 0 GCADMM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825659682 607937485 /nfs/dbraw/zinc/93/74/85/607937485.db2.gz YZUFTAYJCMWUMS-QMMMGPOBSA-N -1 1 377.423 0.107 20 0 GCADMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCSC1 ZINC000826123803 607973263 /nfs/dbraw/zinc/97/32/63/607973263.db2.gz KWRVGKAVSLDFIQ-CQSZACIVSA-N -1 1 383.455 0.335 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824108054 607976163 /nfs/dbraw/zinc/97/61/63/607976163.db2.gz AXBHFRMJUSDRAR-NSHDSACASA-N -1 1 391.388 0.074 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824108054 607976164 /nfs/dbraw/zinc/97/61/64/607976164.db2.gz AXBHFRMJUSDRAR-NSHDSACASA-N -1 1 391.388 0.074 20 0 GCADMM C[C@@H](CO)CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000824436838 607994759 /nfs/dbraw/zinc/99/47/59/607994759.db2.gz WCHPDNFMGDQTQN-OLZOCXBDSA-N -1 1 389.464 0.285 20 0 GCADMM C[C@@H](CO)CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000824436838 607994760 /nfs/dbraw/zinc/99/47/60/607994760.db2.gz WCHPDNFMGDQTQN-OLZOCXBDSA-N -1 1 389.464 0.285 20 0 GCADMM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826227938 608000846 /nfs/dbraw/zinc/00/08/46/608000846.db2.gz ZSNVKQMJSSXVOZ-VXNVDRBHSA-N -1 1 377.879 0.911 20 0 GCADMM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826227938 608000847 /nfs/dbraw/zinc/00/08/47/608000847.db2.gz ZSNVKQMJSSXVOZ-VXNVDRBHSA-N -1 1 377.879 0.911 20 0 GCADMM CC(=O)c1ccc(N2CCN(C(=O)Cn3ccnc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000824024421 608012461 /nfs/dbraw/zinc/01/24/61/608012461.db2.gz DJPXJUARJJTZNZ-UHFFFAOYSA-N -1 1 398.402 0.754 20 0 GCADMM CC(=O)c1ccc(N2CCN(C(=O)Cn3ccnc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000824024421 608012462 /nfs/dbraw/zinc/01/24/62/608012462.db2.gz DJPXJUARJJTZNZ-UHFFFAOYSA-N -1 1 398.402 0.754 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000826425001 608013134 /nfs/dbraw/zinc/01/31/34/608013134.db2.gz LVOPYGBXIRWWNN-UHFFFAOYSA-N -1 1 383.340 0.698 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000826425001 608013135 /nfs/dbraw/zinc/01/31/35/608013135.db2.gz LVOPYGBXIRWWNN-UHFFFAOYSA-N -1 1 383.340 0.698 20 0 GCADMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000826256828 608013476 /nfs/dbraw/zinc/01/34/76/608013476.db2.gz BPANSSKINDJFGP-GFCCVEGCSA-N -1 1 389.441 0.724 20 0 GCADMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000826256828 608013477 /nfs/dbraw/zinc/01/34/77/608013477.db2.gz BPANSSKINDJFGP-GFCCVEGCSA-N -1 1 389.441 0.724 20 0 GCADMM CS(=O)(=O)NCCc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)s1 ZINC000826223713 608014364 /nfs/dbraw/zinc/01/43/64/608014364.db2.gz XDPVNOTVZZPEOG-UHFFFAOYSA-N -1 1 381.443 0.099 20 0 GCADMM CS(=O)(=O)NCCc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)s1 ZINC000826223713 608014365 /nfs/dbraw/zinc/01/43/65/608014365.db2.gz XDPVNOTVZZPEOG-UHFFFAOYSA-N -1 1 381.443 0.099 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000826425128 608014750 /nfs/dbraw/zinc/01/47/50/608014750.db2.gz QRXVYZQSXAJJJS-UHFFFAOYSA-N -1 1 383.340 0.698 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000826425128 608014751 /nfs/dbraw/zinc/01/47/51/608014751.db2.gz QRXVYZQSXAJJJS-UHFFFAOYSA-N -1 1 383.340 0.698 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccc[nH]1 ZINC000824490481 608024326 /nfs/dbraw/zinc/02/43/26/608024326.db2.gz QBZFBEGUONXCPQ-NWDGAFQWSA-N -1 1 382.432 0.966 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccc[nH]1 ZINC000824490481 608024327 /nfs/dbraw/zinc/02/43/27/608024327.db2.gz QBZFBEGUONXCPQ-NWDGAFQWSA-N -1 1 382.432 0.966 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1nnnn1Cc1ccccc1 ZINC000825938316 608036229 /nfs/dbraw/zinc/03/62/29/608036229.db2.gz PJTJHQBPTUXWFX-UHFFFAOYSA-N -1 1 394.447 0.271 20 0 GCADMM Cc1nn(CC(=O)NC(=O)NCc2cccs2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334353 608079498 /nfs/dbraw/zinc/07/94/98/608079498.db2.gz RNHNVUOLWHEKAP-UHFFFAOYSA-N -1 1 388.413 0.128 20 0 GCADMM COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826187708 608087797 /nfs/dbraw/zinc/08/77/97/608087797.db2.gz BZLJIUGWHDJCGR-KDOFPFPSSA-N -1 1 398.427 0.366 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O ZINC000826357102 608096290 /nfs/dbraw/zinc/09/62/90/608096290.db2.gz RANKZDMWEXWFER-UHFFFAOYSA-N -1 1 384.396 0.731 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(OCC(F)(F)F)cc2)c1=O ZINC000826357272 608096318 /nfs/dbraw/zinc/09/63/18/608096318.db2.gz YHXAHPPKKOZBGV-UHFFFAOYSA-N -1 1 382.302 0.717 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Br)c(F)c2)c1=O ZINC000826357173 608096747 /nfs/dbraw/zinc/09/67/47/608096747.db2.gz UIGYPVQPMRJQIK-UHFFFAOYSA-N -1 1 381.165 0.677 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)c2ccc(Cl)c(F)c2)n(C)c1=O ZINC000826355651 608099870 /nfs/dbraw/zinc/09/98/70/608099870.db2.gz IKWYVTBFEYFVEK-SNVBAGLBSA-N -1 1 395.782 0.202 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](O)c2ccc(Cl)c(F)c2)n(C)c1=O ZINC000826355650 608099966 /nfs/dbraw/zinc/09/99/66/608099966.db2.gz IKWYVTBFEYFVEK-JTQLQIEISA-N -1 1 395.782 0.202 20 0 GCADMM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCN12 ZINC000826483390 608111942 /nfs/dbraw/zinc/11/19/42/608111942.db2.gz LUKRKLHUKOXTMT-JTQLQIEISA-N -1 1 382.377 0.221 20 0 GCADMM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824465743 608118650 /nfs/dbraw/zinc/11/86/50/608118650.db2.gz RSZWAHDOEJMAOJ-SNVBAGLBSA-N -1 1 394.399 0.520 20 0 GCADMM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824465743 608118651 /nfs/dbraw/zinc/11/86/51/608118651.db2.gz RSZWAHDOEJMAOJ-SNVBAGLBSA-N -1 1 394.399 0.520 20 0 GCADMM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000826482856 608125368 /nfs/dbraw/zinc/12/53/68/608125368.db2.gz SMZYDQXBNWEMMJ-UHFFFAOYSA-N -1 1 398.832 0.783 20 0 GCADMM CC1([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)OCCO1 ZINC000824816485 608127083 /nfs/dbraw/zinc/12/70/83/608127083.db2.gz FFGLDEQNNYRKMV-LLVKDONJSA-N -1 1 380.430 0.425 20 0 GCADMM CC1([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)OCCO1 ZINC000824816485 608127084 /nfs/dbraw/zinc/12/70/84/608127084.db2.gz FFGLDEQNNYRKMV-LLVKDONJSA-N -1 1 380.430 0.425 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCOCC2(CCOCC2)C1 ZINC000826494562 608128909 /nfs/dbraw/zinc/12/89/09/608128909.db2.gz HZORZYBIOQQVNI-UHFFFAOYSA-N -1 1 380.430 0.079 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCOCC2(CCOCC2)C1 ZINC000826494562 608128910 /nfs/dbraw/zinc/12/89/10/608128910.db2.gz HZORZYBIOQQVNI-UHFFFAOYSA-N -1 1 380.430 0.079 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000826425167 608149179 /nfs/dbraw/zinc/14/91/79/608149179.db2.gz SAQBQWHTLOLLNN-UHFFFAOYSA-N -1 1 380.412 0.616 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000826425167 608149181 /nfs/dbraw/zinc/14/91/81/608149181.db2.gz SAQBQWHTLOLLNN-UHFFFAOYSA-N -1 1 380.412 0.616 20 0 GCADMM Cc1ocnc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826342645 608164232 /nfs/dbraw/zinc/16/42/32/608164232.db2.gz UETWCLRGMSQBNX-SNVBAGLBSA-N -1 1 384.404 0.373 20 0 GCADMM Cc1ocnc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826342645 608164234 /nfs/dbraw/zinc/16/42/34/608164234.db2.gz UETWCLRGMSQBNX-SNVBAGLBSA-N -1 1 384.404 0.373 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H]1CC(=O)N(C)C1 ZINC000826328294 608187872 /nfs/dbraw/zinc/18/78/72/608187872.db2.gz MKZAYEIOIUNSCF-NSHDSACASA-N -1 1 384.400 0.233 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H]1CC(=O)N(C)C1 ZINC000826328294 608187873 /nfs/dbraw/zinc/18/78/73/608187873.db2.gz MKZAYEIOIUNSCF-NSHDSACASA-N -1 1 384.400 0.233 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824472827 608210933 /nfs/dbraw/zinc/21/09/33/608210933.db2.gz XDDPGLSLXLLVFO-VIFPVBQESA-N -1 1 377.453 0.114 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824472827 608210935 /nfs/dbraw/zinc/21/09/35/608210935.db2.gz XDDPGLSLXLLVFO-VIFPVBQESA-N -1 1 377.453 0.114 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824243190 608212216 /nfs/dbraw/zinc/21/22/16/608212216.db2.gz DXKPMHHSZJMUEU-UHFFFAOYSA-N -1 1 377.453 0.115 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824243190 608212218 /nfs/dbraw/zinc/21/22/18/608212218.db2.gz DXKPMHHSZJMUEU-UHFFFAOYSA-N -1 1 377.453 0.115 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOC[C@@H]1CCO ZINC000826232635 608213079 /nfs/dbraw/zinc/21/30/79/608213079.db2.gz BDKXDTVIZYYGCW-LBPRGKRZSA-N -1 1 376.417 0.127 20 0 GCADMM CCc1nn(CC(=O)N2CCOC[C@H]2C2CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763110 608230179 /nfs/dbraw/zinc/23/01/79/608230179.db2.gz OIRXIWREIBFHNH-AWEZNQCLSA-N -1 1 387.444 0.186 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCOC[C@@H]1C1CC1 ZINC000826424361 608231611 /nfs/dbraw/zinc/23/16/11/608231611.db2.gz IXOZPBNUYZQQJZ-MRXNPFEDSA-N -1 1 380.408 0.819 20 0 GCADMM COC[C@@H](O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826151565 608239036 /nfs/dbraw/zinc/23/90/36/608239036.db2.gz DPDHMDFREXMMTH-VIFPVBQESA-N -1 1 395.363 0.561 20 0 GCADMM O=S(=O)(N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487101 608247963 /nfs/dbraw/zinc/24/79/63/608247963.db2.gz CXCJWBZECMHIHK-ZDUSSCGKSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487101 608247966 /nfs/dbraw/zinc/24/79/66/608247966.db2.gz CXCJWBZECMHIHK-ZDUSSCGKSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487100 608248144 /nfs/dbraw/zinc/24/81/44/608248144.db2.gz CXCJWBZECMHIHK-CYBMUJFWSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487100 608248145 /nfs/dbraw/zinc/24/81/45/608248145.db2.gz CXCJWBZECMHIHK-CYBMUJFWSA-N -1 1 380.817 0.927 20 0 GCADMM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826060280 608253958 /nfs/dbraw/zinc/25/39/58/608253958.db2.gz JRXQSCNAHNCMAZ-XVKPBYJWSA-N -1 1 377.430 0.334 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nn1 ZINC000825357072 608309325 /nfs/dbraw/zinc/30/93/25/608309325.db2.gz XEKXVQYDMAOILY-NSHDSACASA-N -1 1 383.420 0.009 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nn1 ZINC000825357072 608309327 /nfs/dbraw/zinc/30/93/27/608309327.db2.gz XEKXVQYDMAOILY-NSHDSACASA-N -1 1 383.420 0.009 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCOc2ccccc2)n1 ZINC000824147691 608339449 /nfs/dbraw/zinc/33/94/49/608339449.db2.gz GZHNRIONJNTQAC-UHFFFAOYSA-N -1 1 398.427 0.952 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCOc2ccccc2)n1 ZINC000824147691 608339450 /nfs/dbraw/zinc/33/94/50/608339450.db2.gz GZHNRIONJNTQAC-UHFFFAOYSA-N -1 1 398.427 0.952 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2ccc(O)cc2)n1 ZINC000824148190 608340487 /nfs/dbraw/zinc/34/04/87/608340487.db2.gz OPDCBUSKMQSION-UHFFFAOYSA-N -1 1 384.400 0.779 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2ccc(O)cc2)n1 ZINC000824148190 608340489 /nfs/dbraw/zinc/34/04/89/608340489.db2.gz OPDCBUSKMQSION-UHFFFAOYSA-N -1 1 384.400 0.779 20 0 GCADMM C[C@@](O)(C[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(F)(F)F ZINC000824670611 608341858 /nfs/dbraw/zinc/34/18/58/608341858.db2.gz SIDJFGPDCDQXSF-LLVKDONJSA-N -1 1 383.327 0.739 20 0 GCADMM CCOCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825590200 608342520 /nfs/dbraw/zinc/34/25/20/608342520.db2.gz PNHXRKKYLHBBHR-UHFFFAOYSA-N -1 1 378.437 0.690 20 0 GCADMM CCOCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825590200 608342522 /nfs/dbraw/zinc/34/25/22/608342522.db2.gz PNHXRKKYLHBBHR-UHFFFAOYSA-N -1 1 378.437 0.690 20 0 GCADMM COCCN(CC(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826158081 608342752 /nfs/dbraw/zinc/34/27/52/608342752.db2.gz ZCNMMVJCAMUQGN-UHFFFAOYSA-N -1 1 392.464 0.888 20 0 GCADMM COCCN(CC(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826158081 608342754 /nfs/dbraw/zinc/34/27/54/608342754.db2.gz ZCNMMVJCAMUQGN-UHFFFAOYSA-N -1 1 392.464 0.888 20 0 GCADMM O=C1NCCCc2cc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC000826482459 608343486 /nfs/dbraw/zinc/34/34/86/608343486.db2.gz FMYFBSPNQLMFMM-UHFFFAOYSA-N -1 1 386.393 0.705 20 0 GCADMM O=C1NCCCc2cc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC000826482459 608343487 /nfs/dbraw/zinc/34/34/87/608343487.db2.gz FMYFBSPNQLMFMM-UHFFFAOYSA-N -1 1 386.393 0.705 20 0 GCADMM O=S(=O)(N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487069 608345249 /nfs/dbraw/zinc/34/52/49/608345249.db2.gz CEGOGZNQVLHAEF-GFCCVEGCSA-N -1 1 378.389 0.283 20 0 GCADMM O=S(=O)(N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487069 608345250 /nfs/dbraw/zinc/34/52/50/608345250.db2.gz CEGOGZNQVLHAEF-GFCCVEGCSA-N -1 1 378.389 0.283 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2nccs2)n1 ZINC000824148482 608351063 /nfs/dbraw/zinc/35/10/63/608351063.db2.gz WPMGIZDSVTWUKK-UHFFFAOYSA-N -1 1 389.445 0.572 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2nccs2)n1 ZINC000824148482 608351065 /nfs/dbraw/zinc/35/10/65/608351065.db2.gz WPMGIZDSVTWUKK-UHFFFAOYSA-N -1 1 389.445 0.572 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2CCOCC2)n1 ZINC000824147943 608351170 /nfs/dbraw/zinc/35/11/70/608351170.db2.gz JAFVNLBHXBRGSO-UHFFFAOYSA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2CCOCC2)n1 ZINC000824147943 608351172 /nfs/dbraw/zinc/35/11/72/608351172.db2.gz JAFVNLBHXBRGSO-UHFFFAOYSA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2ccccc2CO)n1 ZINC000824148100 608351192 /nfs/dbraw/zinc/35/11/92/608351192.db2.gz MNGYCNDAHNKUOY-UHFFFAOYSA-N -1 1 398.427 0.565 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2ccccc2CO)n1 ZINC000824148100 608351194 /nfs/dbraw/zinc/35/11/94/608351194.db2.gz MNGYCNDAHNKUOY-UHFFFAOYSA-N -1 1 398.427 0.565 20 0 GCADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCCO1 ZINC000824969024 608351532 /nfs/dbraw/zinc/35/15/32/608351532.db2.gz SFEZDUCIJYDUNM-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCCO1 ZINC000824969024 608351534 /nfs/dbraw/zinc/35/15/34/608351534.db2.gz SFEZDUCIJYDUNM-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM O=S(=O)(NCc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492328 608352447 /nfs/dbraw/zinc/35/24/47/608352447.db2.gz DVGDECAECSQJHQ-UHFFFAOYSA-N -1 1 388.335 0.499 20 0 GCADMM O=S(=O)(NCc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492328 608352449 /nfs/dbraw/zinc/35/24/49/608352449.db2.gz DVGDECAECSQJHQ-UHFFFAOYSA-N -1 1 388.335 0.499 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCOCC2CC2)n1 ZINC000824148352 608352954 /nfs/dbraw/zinc/35/29/54/608352954.db2.gz RIQDHSGAFROKND-UHFFFAOYSA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCOCC2CC2)n1 ZINC000824148352 608352956 /nfs/dbraw/zinc/35/29/56/608352956.db2.gz RIQDHSGAFROKND-UHFFFAOYSA-N -1 1 376.421 0.300 20 0 GCADMM C[C@H](O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000824691272 608352999 /nfs/dbraw/zinc/35/29/99/608352999.db2.gz YPEHFKWIJXCQHL-JTQLQIEISA-N -1 1 390.448 0.376 20 0 GCADMM C[C@H](O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000824691272 608353001 /nfs/dbraw/zinc/35/30/01/608353001.db2.gz YPEHFKWIJXCQHL-JTQLQIEISA-N -1 1 390.448 0.376 20 0 GCADMM CC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000825205927 608353442 /nfs/dbraw/zinc/35/34/42/608353442.db2.gz XWSSTRKVJGVSGT-WDEREUQCSA-N -1 1 390.448 0.783 20 0 GCADMM CC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000825205927 608353444 /nfs/dbraw/zinc/35/34/44/608353444.db2.gz XWSSTRKVJGVSGT-WDEREUQCSA-N -1 1 390.448 0.783 20 0 GCADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000825205925 608353547 /nfs/dbraw/zinc/35/35/47/608353547.db2.gz XWSSTRKVJGVSGT-QWRGUYRKSA-N -1 1 390.448 0.783 20 0 GCADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000825205925 608353549 /nfs/dbraw/zinc/35/35/49/608353549.db2.gz XWSSTRKVJGVSGT-QWRGUYRKSA-N -1 1 390.448 0.783 20 0 GCADMM CC[C@H]1COCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825221061 608353707 /nfs/dbraw/zinc/35/37/07/608353707.db2.gz XQUNRSKZRUIWRJ-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM CC[C@H]1COCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825221061 608353709 /nfs/dbraw/zinc/35/37/09/608353709.db2.gz XQUNRSKZRUIWRJ-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)n1 ZINC000824669974 608354030 /nfs/dbraw/zinc/35/40/30/608354030.db2.gz JOMCWHKDFJJBOQ-MRXNPFEDSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)n1 ZINC000824669974 608354031 /nfs/dbraw/zinc/35/40/31/608354031.db2.gz JOMCWHKDFJJBOQ-MRXNPFEDSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)n1 ZINC000824148233 608354069 /nfs/dbraw/zinc/35/40/69/608354069.db2.gz POYXXNGUPOSDIC-CMPLNLGQSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)n1 ZINC000824148233 608354070 /nfs/dbraw/zinc/35/40/70/608354070.db2.gz POYXXNGUPOSDIC-CMPLNLGQSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824192222 608354149 /nfs/dbraw/zinc/35/41/49/608354149.db2.gz IUWNWDUBICKWLL-LLVKDONJSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824192222 608354151 /nfs/dbraw/zinc/35/41/51/608354151.db2.gz IUWNWDUBICKWLL-LLVKDONJSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H](CCO)C2CC2)n1 ZINC000824142437 608354401 /nfs/dbraw/zinc/35/44/01/608354401.db2.gz SRXMWRDMLLRNAQ-LLVKDONJSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H](CCO)C2CC2)n1 ZINC000824142437 608354403 /nfs/dbraw/zinc/35/44/03/608354403.db2.gz SRXMWRDMLLRNAQ-LLVKDONJSA-N -1 1 376.421 0.034 20 0 GCADMM C[C@H](Cc1ccncc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824457247 608355809 /nfs/dbraw/zinc/35/58/09/608355809.db2.gz ICNYHPSFDQDBAS-LLVKDONJSA-N -1 1 397.443 0.899 20 0 GCADMM C[C@H](Cc1ccncc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824457247 608355811 /nfs/dbraw/zinc/35/58/11/608355811.db2.gz ICNYHPSFDQDBAS-LLVKDONJSA-N -1 1 397.443 0.899 20 0 GCADMM CC[C@H](C[C@H](C)CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825081992 608356872 /nfs/dbraw/zinc/35/68/72/608356872.db2.gz OUSZOUDXBOSOSP-WDEREUQCSA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@H](C[C@H](C)CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825081992 608356874 /nfs/dbraw/zinc/35/68/74/608356874.db2.gz OUSZOUDXBOSOSP-WDEREUQCSA-N -1 1 392.464 0.670 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824882560 608357610 /nfs/dbraw/zinc/35/76/10/608357610.db2.gz BTMOQTALGYWWPK-NXEZZACHSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824882560 608357612 /nfs/dbraw/zinc/35/76/12/608357612.db2.gz BTMOQTALGYWWPK-NXEZZACHSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824882561 608357652 /nfs/dbraw/zinc/35/76/52/608357652.db2.gz BTMOQTALGYWWPK-UWVGGRQHSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824882561 608357654 /nfs/dbraw/zinc/35/76/54/608357654.db2.gz BTMOQTALGYWWPK-UWVGGRQHSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@@H]1CC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824885068 608357782 /nfs/dbraw/zinc/35/77/82/608357782.db2.gz RBAUTSYDLDGYTQ-NXEZZACHSA-N -1 1 390.448 0.829 20 0 GCADMM C[C@@H]1CC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824885068 608357784 /nfs/dbraw/zinc/35/77/84/608357784.db2.gz RBAUTSYDLDGYTQ-NXEZZACHSA-N -1 1 390.448 0.829 20 0 GCADMM CC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825134442 608358532 /nfs/dbraw/zinc/35/85/32/608358532.db2.gz UMAXSQMHDFGHJJ-RYUDHWBXSA-N -1 1 390.448 0.831 20 0 GCADMM CC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825134442 608358534 /nfs/dbraw/zinc/35/85/34/608358534.db2.gz UMAXSQMHDFGHJJ-RYUDHWBXSA-N -1 1 390.448 0.831 20 0 GCADMM CN(Cc1cccn1C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825985936 608358563 /nfs/dbraw/zinc/35/85/63/608358563.db2.gz GXXARLZOVOALTF-UHFFFAOYSA-N -1 1 385.432 0.754 20 0 GCADMM CN(Cc1cccn1C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825985936 608358565 /nfs/dbraw/zinc/35/85/65/608358565.db2.gz GXXARLZOVOALTF-UHFFFAOYSA-N -1 1 385.432 0.754 20 0 GCADMM CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824109937 608382595 /nfs/dbraw/zinc/38/25/95/608382595.db2.gz ZWJBYWCNZBPJHD-UHFFFAOYSA-N -1 1 391.388 0.152 20 0 GCADMM O=S(=O)(c1ccc(Sc2ccc(-c3nnn[n-]3)nn2)nc1)N1CCCC1 ZINC000826495637 608393020 /nfs/dbraw/zinc/39/30/20/608393020.db2.gz VKLSXGHGVQRFNC-UHFFFAOYSA-N -1 1 390.454 0.987 20 0 GCADMM O=S(=O)(c1ccc(Sc2ccc(-c3nn[n-]n3)nn2)nc1)N1CCCC1 ZINC000826495637 608393022 /nfs/dbraw/zinc/39/30/22/608393022.db2.gz VKLSXGHGVQRFNC-UHFFFAOYSA-N -1 1 390.454 0.987 20 0 GCADMM Cc1cc2nc(C)cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)n2n1 ZINC000826256825 608408481 /nfs/dbraw/zinc/40/84/81/608408481.db2.gz BMJGQECKDHNTSW-UHFFFAOYSA-N -1 1 395.431 0.536 20 0 GCADMM Cc1cc2nc(C)cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)n2n1 ZINC000826256825 608408483 /nfs/dbraw/zinc/40/84/83/608408483.db2.gz BMJGQECKDHNTSW-UHFFFAOYSA-N -1 1 395.431 0.536 20 0 GCADMM CN(CCCOc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825923653 608408822 /nfs/dbraw/zinc/40/88/22/608408822.db2.gz QBIUMJXUWVWAOZ-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM CN(CCCOc1cccc(S(C)(=O)=O)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923653 608408823 /nfs/dbraw/zinc/40/88/23/608408823.db2.gz QBIUMJXUWVWAOZ-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM c1cc2c(cc1-n1nnnc1Sc1ccc(-c3nnn[n-]3)nn1)OCCO2 ZINC000826518748 608420393 /nfs/dbraw/zinc/42/03/93/608420393.db2.gz WOQZFKALUZGYCO-UHFFFAOYSA-N -1 1 382.369 0.555 20 0 GCADMM c1cc2c(cc1-n1nnnc1Sc1ccc(-c3nn[n-]n3)nn1)OCCO2 ZINC000826518748 608420394 /nfs/dbraw/zinc/42/03/94/608420394.db2.gz WOQZFKALUZGYCO-UHFFFAOYSA-N -1 1 382.369 0.555 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000823982281 608423123 /nfs/dbraw/zinc/42/31/23/608423123.db2.gz YSQGUPRLURVAFK-UHFFFAOYSA-N -1 1 382.421 0.637 20 0 GCADMM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826365515 608446686 /nfs/dbraw/zinc/44/66/86/608446686.db2.gz QYMFNPAFALQNSV-LBPRGKRZSA-N -1 1 378.393 0.660 20 0 GCADMM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825394829 608498150 /nfs/dbraw/zinc/49/81/50/608498150.db2.gz IACOGDAEDFONLP-JTQLQIEISA-N -1 1 384.487 0.053 20 0 GCADMM Cc1ccc(C(N)=O)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826284196 608549722 /nfs/dbraw/zinc/54/97/22/608549722.db2.gz MTKPESIRTLWRBB-UHFFFAOYSA-N -1 1 398.431 0.676 20 0 GCADMM Cc1ccc(C(N)=O)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826284196 608549723 /nfs/dbraw/zinc/54/97/23/608549723.db2.gz MTKPESIRTLWRBB-UHFFFAOYSA-N -1 1 398.431 0.676 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnn(C)c1C(F)F ZINC000825933879 608556580 /nfs/dbraw/zinc/55/65/80/608556580.db2.gz HXTJXRQXPTWEJE-UHFFFAOYSA-N -1 1 380.363 0.548 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnn(C)c1C(F)F ZINC000825933879 608556582 /nfs/dbraw/zinc/55/65/82/608556582.db2.gz HXTJXRQXPTWEJE-UHFFFAOYSA-N -1 1 380.363 0.548 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSCc1cscn1 ZINC000825930689 608556991 /nfs/dbraw/zinc/55/69/91/608556991.db2.gz WNDXKEJNAKNABM-UHFFFAOYSA-N -1 1 393.502 0.953 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSCc1cscn1 ZINC000825930689 608556992 /nfs/dbraw/zinc/55/69/92/608556992.db2.gz WNDXKEJNAKNABM-UHFFFAOYSA-N -1 1 393.502 0.953 20 0 GCADMM CCC(=O)N1CCC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825034395 608557911 /nfs/dbraw/zinc/55/79/11/608557911.db2.gz JMPINYHFGQSJOM-NSHDSACASA-N -1 1 389.464 0.212 20 0 GCADMM CCC(=O)N1CCC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825034395 608557913 /nfs/dbraw/zinc/55/79/13/608557913.db2.gz JMPINYHFGQSJOM-NSHDSACASA-N -1 1 389.464 0.212 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824470242 608558400 /nfs/dbraw/zinc/55/84/00/608558400.db2.gz GTAYGBAJCQLEBN-SNVBAGLBSA-N -1 1 389.464 0.258 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824470242 608558402 /nfs/dbraw/zinc/55/84/02/608558402.db2.gz GTAYGBAJCQLEBN-SNVBAGLBSA-N -1 1 389.464 0.258 20 0 GCADMM Cc1ccn2ncc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)c2n1 ZINC000826308664 608558706 /nfs/dbraw/zinc/55/87/06/608558706.db2.gz KEJSGZYBXNUQQZ-UHFFFAOYSA-N -1 1 381.404 0.228 20 0 GCADMM Cc1ccn2ncc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c2n1 ZINC000826308664 608558708 /nfs/dbraw/zinc/55/87/08/608558708.db2.gz KEJSGZYBXNUQQZ-UHFFFAOYSA-N -1 1 381.404 0.228 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCOc1ccc(C=O)cc1 ZINC000825923550 608560492 /nfs/dbraw/zinc/56/04/92/608560492.db2.gz LXPCHJNUILPQDM-UHFFFAOYSA-N -1 1 398.427 0.845 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCOc1ccc(C=O)cc1 ZINC000825923550 608560494 /nfs/dbraw/zinc/56/04/94/608560494.db2.gz LXPCHJNUILPQDM-UHFFFAOYSA-N -1 1 398.427 0.845 20 0 GCADMM COC(=O)[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826133577 608588991 /nfs/dbraw/zinc/58/89/91/608588991.db2.gz NNILMLXADOPALW-ABAIWWIYSA-N -1 1 380.430 0.662 20 0 GCADMM COC(=O)[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826133577 608588992 /nfs/dbraw/zinc/58/89/92/608588992.db2.gz NNILMLXADOPALW-ABAIWWIYSA-N -1 1 380.430 0.662 20 0 GCADMM COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826133579 608589208 /nfs/dbraw/zinc/58/92/08/608589208.db2.gz NNILMLXADOPALW-IAQYHMDHSA-N -1 1 380.430 0.662 20 0 GCADMM COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826133579 608589210 /nfs/dbraw/zinc/58/92/10/608589210.db2.gz NNILMLXADOPALW-IAQYHMDHSA-N -1 1 380.430 0.662 20 0 GCADMM O=S1(=O)N=C(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c2ccccc21 ZINC000826496622 608591472 /nfs/dbraw/zinc/59/14/72/608591472.db2.gz BWIUWHQXNFCYTL-UHFFFAOYSA-N -1 1 399.436 0.726 20 0 GCADMM O=S1(=O)N=C(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c2ccccc21 ZINC000826496622 608591473 /nfs/dbraw/zinc/59/14/73/608591473.db2.gz BWIUWHQXNFCYTL-UHFFFAOYSA-N -1 1 399.436 0.726 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@H](O)COC(C)C ZINC000826233230 608630674 /nfs/dbraw/zinc/63/06/74/608630674.db2.gz YXGSBCQZWHVBSM-GFCCVEGCSA-N -1 1 379.417 0.846 20 0 GCADMM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826487634 608732758 /nfs/dbraw/zinc/73/27/58/608732758.db2.gz VAGDCCNIFAPPKY-UHFFFAOYSA-N -1 1 379.402 0.095 20 0 GCADMM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826487634 608732762 /nfs/dbraw/zinc/73/27/62/608732762.db2.gz VAGDCCNIFAPPKY-UHFFFAOYSA-N -1 1 379.402 0.095 20 0 GCADMM COC[C@@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826164409 608762563 /nfs/dbraw/zinc/76/25/63/608762563.db2.gz XWKBAOPTDMVBLH-SNVBAGLBSA-N -1 1 376.421 0.599 20 0 GCADMM O=C(COC(=O)C1CC(=O)C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826479253 608768375 /nfs/dbraw/zinc/76/83/75/608768375.db2.gz USPCGDXLESPPKV-UHFFFAOYSA-N -1 1 381.352 0.513 20 0 GCADMM O=C(COC(=O)C1CC(=O)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826479253 608768378 /nfs/dbraw/zinc/76/83/78/608768378.db2.gz USPCGDXLESPPKV-UHFFFAOYSA-N -1 1 381.352 0.513 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(n2ccnn2)CC1 ZINC000826495093 608806681 /nfs/dbraw/zinc/80/66/81/608806681.db2.gz CEHOSKLQLXKZSN-UHFFFAOYSA-N -1 1 378.393 0.623 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)ccc1O ZINC000824999997 608808219 /nfs/dbraw/zinc/80/82/19/608808219.db2.gz MBPZFPVWICMWNU-JTQLQIEISA-N -1 1 384.375 0.852 20 0 GCADMM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826482308 608824320 /nfs/dbraw/zinc/82/43/20/608824320.db2.gz ZOHTXGKDKIQTEO-SNVBAGLBSA-N -1 1 383.393 0.931 20 0 GCADMM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826482308 608824322 /nfs/dbraw/zinc/82/43/22/608824322.db2.gz ZOHTXGKDKIQTEO-SNVBAGLBSA-N -1 1 383.393 0.931 20 0 GCADMM COC(=O)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)(C(=O)OC)CC1 ZINC000826133951 608826573 /nfs/dbraw/zinc/82/65/73/608826573.db2.gz QRXZRLXURHWYAT-UHFFFAOYSA-N -1 1 393.425 0.933 20 0 GCADMM COC(=O)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)(C(=O)OC)CC1 ZINC000826133951 608826574 /nfs/dbraw/zinc/82/65/74/608826574.db2.gz QRXZRLXURHWYAT-UHFFFAOYSA-N -1 1 393.425 0.933 20 0 GCADMM COCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826157261 608847685 /nfs/dbraw/zinc/84/76/85/608847685.db2.gz NKDGRJDTBSXDRO-UHFFFAOYSA-N -1 1 386.503 0.412 20 0 GCADMM COC(=O)C1=C(Cn2ccnc2-c2nnn[n-]2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000826128639 608889326 /nfs/dbraw/zinc/88/93/26/608889326.db2.gz FQJMTSVAKWJMNN-CQSZACIVSA-N -1 1 394.395 0.887 20 0 GCADMM COC(=O)C1=C(Cn2ccnc2-c2nn[n-]n2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000826128639 608889327 /nfs/dbraw/zinc/88/93/27/608889327.db2.gz FQJMTSVAKWJMNN-CQSZACIVSA-N -1 1 394.395 0.887 20 0 GCADMM Cc1cc(N2CCN(C(=O)Cn3ccnc3-c3nn[n-]n3)CC2)nc(C(C)C)n1 ZINC000826269269 608892962 /nfs/dbraw/zinc/89/29/62/608892962.db2.gz GVMNJLWUUAYAMK-UHFFFAOYSA-N -1 1 396.459 0.634 20 0 GCADMM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490972 609183022 /nfs/dbraw/zinc/18/30/22/609183022.db2.gz OTYKOOQXMLOLCC-JTQLQIEISA-N -1 1 399.404 0.206 20 0 GCADMM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490972 609183024 /nfs/dbraw/zinc/18/30/24/609183024.db2.gz OTYKOOQXMLOLCC-JTQLQIEISA-N -1 1 399.404 0.206 20 0 GCADMM Cc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)n1 ZINC000826329911 609235904 /nfs/dbraw/zinc/23/59/04/609235904.db2.gz XRUWLHJPEBWRTF-JTQLQIEISA-N -1 1 380.416 0.414 20 0 GCADMM Cc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)n1 ZINC000826329911 609235906 /nfs/dbraw/zinc/23/59/06/609235906.db2.gz XRUWLHJPEBWRTF-JTQLQIEISA-N -1 1 380.416 0.414 20 0 GCADMM COCc1noc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000826165896 609237456 /nfs/dbraw/zinc/23/74/56/609237456.db2.gz NGOBCBFIUIMZMY-UHFFFAOYSA-N -1 1 389.372 0.790 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc(=O)[nH]1 ZINC000826258338 609260106 /nfs/dbraw/zinc/26/01/06/609260106.db2.gz HTBYRTHRWSBFEU-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc(=O)[nH]1 ZINC000826258338 609260107 /nfs/dbraw/zinc/26/01/07/609260107.db2.gz HTBYRTHRWSBFEU-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C=Cc2ccccc2-c2nn[nH]n2)c1 ZINC000826394817 609262896 /nfs/dbraw/zinc/26/28/96/609262896.db2.gz ACYBSTSVDRSUSH-YVMONPNESA-N -1 1 386.393 0.872 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826425639 609267225 /nfs/dbraw/zinc/26/72/25/609267225.db2.gz MFYJNVKBNYQJRD-CYBMUJFWSA-N -1 1 382.432 0.964 20 0 GCADMM Cc1cc(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)[nH]1 ZINC000826257044 609270945 /nfs/dbraw/zinc/27/09/45/609270945.db2.gz LJIQEAFKKPFLOJ-LBPRGKRZSA-N -1 1 381.444 0.995 20 0 GCADMM Cc1cc(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)[nH]1 ZINC000826257044 609270946 /nfs/dbraw/zinc/27/09/46/609270946.db2.gz LJIQEAFKKPFLOJ-LBPRGKRZSA-N -1 1 381.444 0.995 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C[C@H](O)C(F)(F)F ZINC000826232648 609285696 /nfs/dbraw/zinc/28/56/96/609285696.db2.gz BNBGMLRRBLEEPO-JTQLQIEISA-N -1 1 388.350 0.898 20 0 GCADMM CC(=O)NCCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000823994554 609296502 /nfs/dbraw/zinc/29/65/02/609296502.db2.gz LKZGTJFLXSYMAB-GFCCVEGCSA-N -1 1 389.460 0.930 20 0 GCADMM CC(=O)NCCN(Cc1ccnc(-c2nn[n-]n2)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000823994554 609296503 /nfs/dbraw/zinc/29/65/03/609296503.db2.gz LKZGTJFLXSYMAB-GFCCVEGCSA-N -1 1 389.460 0.930 20 0 GCADMM CC(=O)NCCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000823994555 609296819 /nfs/dbraw/zinc/29/68/19/609296819.db2.gz LKZGTJFLXSYMAB-LBPRGKRZSA-N -1 1 389.460 0.930 20 0 GCADMM CC(=O)NCCN(Cc1ccnc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000823994555 609296820 /nfs/dbraw/zinc/29/68/20/609296820.db2.gz LKZGTJFLXSYMAB-LBPRGKRZSA-N -1 1 389.460 0.930 20 0 GCADMM CC[C@@H](C)NC(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825067057 609299971 /nfs/dbraw/zinc/29/99/71/609299971.db2.gz GUWWVXRDZFFJQX-SNVBAGLBSA-N -1 1 392.468 0.051 20 0 GCADMM CC[C@@H](C)NC(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825067057 609299973 /nfs/dbraw/zinc/29/99/73/609299973.db2.gz GUWWVXRDZFFJQX-SNVBAGLBSA-N -1 1 392.468 0.051 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC000826229618 609301501 /nfs/dbraw/zinc/30/15/01/609301501.db2.gz KYAHRSBWHPXOSU-OIBJUYFYSA-N -1 1 377.430 0.463 20 0 GCADMM C[C@H](O)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824707391 609301996 /nfs/dbraw/zinc/30/19/96/609301996.db2.gz RJMCWPKTYQMDTR-NSHDSACASA-N -1 1 399.459 1.000 20 0 GCADMM C[C@H](O)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824707391 609301997 /nfs/dbraw/zinc/30/19/97/609301997.db2.gz RJMCWPKTYQMDTR-NSHDSACASA-N -1 1 399.459 1.000 20 0 GCADMM CCOC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000825492789 609302089 /nfs/dbraw/zinc/30/20/89/609302089.db2.gz HNXSMPXKCFRWGB-QMTHXVAHSA-N -1 1 378.389 0.180 20 0 GCADMM CCOC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000825492789 609302091 /nfs/dbraw/zinc/30/20/91/609302091.db2.gz HNXSMPXKCFRWGB-QMTHXVAHSA-N -1 1 378.389 0.180 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1ccc(O)cc1 ZINC000825930021 609302554 /nfs/dbraw/zinc/30/25/54/609302554.db2.gz OFUWKJGSKHSWNL-UHFFFAOYSA-N -1 1 385.432 0.694 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1ccc(O)cc1 ZINC000825930021 609302556 /nfs/dbraw/zinc/30/25/56/609302556.db2.gz OFUWKJGSKHSWNL-UHFFFAOYSA-N -1 1 385.432 0.694 20 0 GCADMM Cc1cnc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826318687 609304335 /nfs/dbraw/zinc/30/43/35/609304335.db2.gz VFPIFTLHIWTPAP-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM Cc1cnc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826318687 609304336 /nfs/dbraw/zinc/30/43/36/609304336.db2.gz VFPIFTLHIWTPAP-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM C[C@@H]1CC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824893832 609309038 /nfs/dbraw/zinc/30/90/38/609309038.db2.gz VJHCWFKDBKFHQZ-NXEZZACHSA-N -1 1 377.453 0.702 20 0 GCADMM C[C@@H]1CC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824893832 609309040 /nfs/dbraw/zinc/30/90/40/609309040.db2.gz VJHCWFKDBKFHQZ-NXEZZACHSA-N -1 1 377.453 0.702 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000825930186 609309825 /nfs/dbraw/zinc/30/98/25/609309825.db2.gz RKJUKXNZQOKIAE-NSHDSACASA-N -1 1 385.436 0.547 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@]1(O)CCSC1 ZINC000826458381 609312437 /nfs/dbraw/zinc/31/24/37/609312437.db2.gz NMUKUWXOQFPDQV-HNNXBMFYSA-N -1 1 375.389 0.998 20 0 GCADMM NC(=O)c1c[nH]c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826392880 609313691 /nfs/dbraw/zinc/31/36/91/609313691.db2.gz QZCKJYYFKZJFRB-UHFFFAOYSA-N -1 1 381.331 0.871 20 0 GCADMM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826128319 609328775 /nfs/dbraw/zinc/32/87/75/609328775.db2.gz CGKHGFIJFZLHJU-ZANVPECISA-N -1 1 399.404 0.347 20 0 GCADMM CC(C)NC(=O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824300093 609355253 /nfs/dbraw/zinc/35/52/53/609355253.db2.gz CFNMFSMASNPQIF-UHFFFAOYSA-N -1 1 387.379 0.838 20 0 GCADMM CC(=O)N1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000823980530 609356892 /nfs/dbraw/zinc/35/68/92/609356892.db2.gz FBCSLQSOAHZLDU-UHFFFAOYSA-N -1 1 399.390 0.888 20 0 GCADMM Cn1cnnc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826366013 609357042 /nfs/dbraw/zinc/35/70/42/609357042.db2.gz OMZUESWECUGOJB-UHFFFAOYSA-N -1 1 383.351 0.642 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CCCNC1=O ZINC000826458599 609359643 /nfs/dbraw/zinc/35/96/43/609359643.db2.gz XHNPZLMUSDRKHZ-SNVBAGLBSA-N -1 1 385.363 0.592 20 0 GCADMM CCNC(=O)C1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825465811 609361373 /nfs/dbraw/zinc/36/13/73/609361373.db2.gz RBYMMYJSXADBJF-UHFFFAOYSA-N -1 1 399.390 0.791 20 0 GCADMM COCCN(CCO)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826158517 609363850 /nfs/dbraw/zinc/36/38/50/609363850.db2.gz SDLLTKYTWUBMQF-UHFFFAOYSA-N -1 1 390.379 0.664 20 0 GCADMM COC[C@@](C)(O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826148308 609363870 /nfs/dbraw/zinc/36/38/70/609363870.db2.gz FLZXGDIWRIZQLM-INIZCTEOSA-N -1 1 390.379 0.710 20 0 GCADMM CS(=O)(=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826222586 609364423 /nfs/dbraw/zinc/36/44/23/609364423.db2.gz CXAHYJYOWIAYDO-UHFFFAOYSA-N -1 1 394.392 0.358 20 0 GCADMM O=C(NCC1(CO)COC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826433593 609364621 /nfs/dbraw/zinc/36/46/21/609364621.db2.gz LOEJPFSMVDIHMT-UHFFFAOYSA-N -1 1 388.363 0.322 20 0 GCADMM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826233687 609383676 /nfs/dbraw/zinc/38/36/76/609383676.db2.gz RRJSATRUIPAIHP-UHFFFAOYSA-N -1 1 383.416 0.162 20 0 GCADMM NC(=O)c1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826393303 609422509 /nfs/dbraw/zinc/42/25/09/609422509.db2.gz MEWZCNAGSHDILW-UHFFFAOYSA-N -1 1 393.342 0.938 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NN2Cc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000826229333 609427326 /nfs/dbraw/zinc/42/73/26/609427326.db2.gz ALCWEHBHVWAZQT-UHFFFAOYSA-N -1 1 383.393 0.990 20 0 GCADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)[C@]1(CO)CCOC1 ZINC000825892363 609442149 /nfs/dbraw/zinc/44/21/49/609442149.db2.gz LVYMMOVEJVBJDC-SFHVURJKSA-N -1 1 398.427 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IWSSAICABDSAOY-UHFFFAOYSA-N -1 1 393.403 0.795 20 0 GCADMM O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[C@H](c2nn[n-]n2)C1 ZINC001175563916 1205739279 /nfs/dbraw/zinc/73/92/79/1205739279.db2.gz WZTRJPWRGUVJMX-ZETCQYMHSA-N -1 1 393.201 0.923 20 0 GCADMM Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(Cc2nn[n-]n2)CC(C)C)c1 ZINC001176594324 1205749111 /nfs/dbraw/zinc/74/91/11/1205749111.db2.gz PKNCNCRJWDJUKZ-UHFFFAOYSA-N -1 1 380.474 0.780 20 0 GCADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC001176604771 1205751282 /nfs/dbraw/zinc/75/12/82/1205751282.db2.gz WHTHAZWGAGAAIT-UHFFFAOYSA-N -1 1 390.469 0.859 20 0 GCADMM O=C(CNC(=O)c1ccc(Br)s1)NC1(c2nn[n-]n2)CCC1 ZINC001176725679 1205752195 /nfs/dbraw/zinc/75/21/95/1205752195.db2.gz MRTGGQAICVIFMT-UHFFFAOYSA-N -1 1 385.247 0.949 20 0 GCADMM Cc1nc(CN2CC[C@]3(CCCN(C(=O)Cc4nn[n-]n4)C3)C2=O)cs1 ZINC001176839777 1205755954 /nfs/dbraw/zinc/75/59/54/1205755954.db2.gz CBEKLCMDUMGLPI-INIZCTEOSA-N -1 1 375.458 0.548 20 0 GCADMM O=C(Cc1nn[n-]n1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001176839672 1205756310 /nfs/dbraw/zinc/75/63/10/1205756310.db2.gz BHBCWBSDPPVXFY-JTQLQIEISA-N -1 1 392.217 0.753 20 0 GCADMM CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1nn[n-]n1 ZINC001176842621 1205756376 /nfs/dbraw/zinc/75/63/76/1205756376.db2.gz OAXOUHXEYGEBFE-CYBMUJFWSA-N -1 1 389.412 0.839 20 0 GCADMM COc1cc2ncnc(N3CCN(C(=O)Cc4nn[n-]n4)CC3)c2cc1OC ZINC001176840721 1205756402 /nfs/dbraw/zinc/75/64/02/1205756402.db2.gz MTHLNRFUJVKLAT-UHFFFAOYSA-N -1 1 384.400 0.051 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3nn[n-]n3)cc2)C[C@H](C)O1 ZINC001176842875 1205756426 /nfs/dbraw/zinc/75/64/26/1205756426.db2.gz UHXGGVBWSYRDDZ-PHIMTYICSA-N -1 1 380.430 0.179 20 0 GCADMM CCOC(=O)c1cn2nc([C@H]3CCCN(C(=O)Cc4nn[n-]n4)C3)sc2n1 ZINC001176842523 1205756613 /nfs/dbraw/zinc/75/66/13/1205756613.db2.gz LRJRPVGSOMPHCJ-VIFPVBQESA-N -1 1 390.429 0.429 20 0 GCADMM Cc1cccc(Cn2c(=O)ccc3c2CC[C@H](NC(=O)Cc2nn[n-]n2)C3)n1 ZINC001176845672 1205757638 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/nfs/dbraw/zinc/03/22/32/1206032232.db2.gz PWIJGPIGNUTTPZ-SNVBAGLBSA-N -1 1 389.817 0.160 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)[n-]n1 ZINC001190382554 1206033335 /nfs/dbraw/zinc/03/33/35/1206033335.db2.gz ICDPHWQVLTUBQU-WDEREUQCSA-N -1 1 392.437 0.841 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n[n-]1 ZINC001190382554 1206033338 /nfs/dbraw/zinc/03/33/38/1206033338.db2.gz ICDPHWQVLTUBQU-WDEREUQCSA-N -1 1 392.437 0.841 20 0 GCADMM CCOC(=O)CC[C@H](NC(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O)C(=O)OCC ZINC001190441833 1206035015 /nfs/dbraw/zinc/03/50/15/1206035015.db2.gz BNSCRTNTZJAWGG-ZETCQYMHSA-N -1 1 385.333 0.682 20 0 GCADMM O=C(CN1CCN(C(=O)c2cnc(-c3ccccn3)[n-]c2=O)CC1)N1CCCC1 ZINC001190620479 1206039180 /nfs/dbraw/zinc/03/91/80/1206039180.db2.gz VXJXDLCZQBOVAB-UHFFFAOYSA-N -1 1 396.451 0.624 20 0 GCADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC001190603853 1206040241 /nfs/dbraw/zinc/04/02/41/1206040241.db2.gz PMKOGCVWUXQFMU-NSHDSACASA-N -1 1 380.513 0.900 20 0 GCADMM O=C([O-])[C@@]1(NC(=O)NCCCN2CCN(c3ccccc3)CC2)CCOC1 ZINC000908821335 939329346 /nfs/dbraw/zinc/32/93/46/939329346.db2.gz IAKCXKANRUHYND-LJQANCHMSA-N -1 1 376.457 0.742 20 0 GCADMM O=C([O-])[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)[C@H]1CCCOC1 ZINC001119580350 939813639 /nfs/dbraw/zinc/81/36/39/939813639.db2.gz LXJMDUZCYWOIFM-MAUKXSAKSA-N -1 1 376.457 0.590 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1csc(=O)[nH]1 ZINC001571258574 945357881 /nfs/dbraw/zinc/35/78/81/945357881.db2.gz WMSXNOUYEKLTEU-FYBVGQRMSA-N -1 1 385.413 0.359 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1csc(=O)[nH]1 ZINC001571258574 945357891 /nfs/dbraw/zinc/35/78/91/945357891.db2.gz WMSXNOUYEKLTEU-FYBVGQRMSA-N -1 1 385.413 0.359 20 0 GCADMM O=C([C@@H]1CCC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571259198 945380041 /nfs/dbraw/zinc/38/00/41/945380041.db2.gz DJBXRTGURYKLPX-YPMHNXCESA-N -1 1 385.432 0.118 20 0 GCADMM O=C([C@@H]1CCC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571259198 945380046 /nfs/dbraw/zinc/38/00/46/945380046.db2.gz DJBXRTGURYKLPX-YPMHNXCESA-N -1 1 385.432 0.118 20 0 GCADMM O=C(C[C@@H]1CCNC1=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571259292 945384498 /nfs/dbraw/zinc/38/44/98/945384498.db2.gz FEWLMXNVLZBVJS-QJPTWQEYSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(C[C@@H]1CCNC1=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571259292 945384507 /nfs/dbraw/zinc/38/45/07/945384507.db2.gz FEWLMXNVLZBVJS-QJPTWQEYSA-N -1 1 385.432 0.022 20 0 GCADMM NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571260367 945414360 /nfs/dbraw/zinc/41/43/60/945414360.db2.gz QQSUSYJTZUZFHU-KXNHARMFSA-N -1 1 385.432 0.008 20 0 GCADMM NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571260367 945414363 /nfs/dbraw/zinc/41/43/63/945414363.db2.gz QQSUSYJTZUZFHU-KXNHARMFSA-N -1 1 385.432 0.008 20 0 GCADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CCCCC1 ZINC000820329747 945416890 /nfs/dbraw/zinc/41/68/90/945416890.db2.gz ZKERCLRHCAPKEC-JTQLQIEISA-N -1 1 392.441 0.602 20 0 GCADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CCCCC1 ZINC000820329747 945416895 /nfs/dbraw/zinc/41/68/95/945416895.db2.gz ZKERCLRHCAPKEC-JTQLQIEISA-N -1 1 392.441 0.602 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)c3ccsn3)C2)n1 ZINC001571261279 945425630 /nfs/dbraw/zinc/42/56/30/945425630.db2.gz CPCQXTCDAGUBSB-SNVBAGLBSA-N -1 1 385.457 0.932 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)c3ccsn3)C2)n1 ZINC001571261279 945425639 /nfs/dbraw/zinc/42/56/39/945425639.db2.gz CPCQXTCDAGUBSB-SNVBAGLBSA-N -1 1 385.457 0.932 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)CCc2cncs2)C1 ZINC001571261573 945429191 /nfs/dbraw/zinc/42/91/91/945429191.db2.gz GREYKFJXEMGHOR-NSHDSACASA-N -1 1 385.457 0.783 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)CCc2cncs2)C1 ZINC001571261573 945429196 /nfs/dbraw/zinc/42/91/96/945429196.db2.gz GREYKFJXEMGHOR-NSHDSACASA-N -1 1 385.457 0.783 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CCc2nccs2)C1 ZINC001571261612 945429758 /nfs/dbraw/zinc/42/97/58/945429758.db2.gz HGJKQXDHTZWNDO-NSHDSACASA-N -1 1 385.457 0.783 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CCc2nccs2)C1 ZINC001571261612 945429760 /nfs/dbraw/zinc/42/97/60/945429760.db2.gz HGJKQXDHTZWNDO-NSHDSACASA-N -1 1 385.457 0.783 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262876 945443355 /nfs/dbraw/zinc/44/33/55/945443355.db2.gz AZDHBVWIQFWTFG-NSHDSACASA-N -1 1 385.457 0.869 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571262940 945446127 /nfs/dbraw/zinc/44/61/27/945446127.db2.gz CSPFPVNQFIIIFT-NSHDSACASA-N -1 1 385.457 0.726 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)sc1C ZINC001571263021 945447480 /nfs/dbraw/zinc/44/74/80/945447480.db2.gz FWBHMAGFYSDXEE-PRHODGIISA-N -1 1 385.457 0.985 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)sc1C ZINC001571263021 945447486 /nfs/dbraw/zinc/44/74/86/945447486.db2.gz FWBHMAGFYSDXEE-PRHODGIISA-N -1 1 385.457 0.985 20 0 GCADMM Cc1nc(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)cs1 ZINC001571263119 945450142 /nfs/dbraw/zinc/45/01/42/945450142.db2.gz HWQMJPQINLWMNV-ZANVPECISA-N -1 1 385.457 0.923 20 0 GCADMM Cc1nc(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)cs1 ZINC001571263119 945450150 /nfs/dbraw/zinc/45/01/50/945450150.db2.gz HWQMJPQINLWMNV-ZANVPECISA-N -1 1 385.457 0.923 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ns1 ZINC001571263226 945453708 /nfs/dbraw/zinc/45/37/08/945453708.db2.gz KLFKGPMLERTKLY-MNOVXSKESA-N -1 1 385.457 0.997 20 0 GCADMM Cc1nscc1C(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263354 945455187 /nfs/dbraw/zinc/45/51/87/945455187.db2.gz NNAGPMRXMVWQTR-GHMZBOCLSA-N -1 1 385.457 0.854 20 0 GCADMM Cc1nscc1C(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263355 945456441 /nfs/dbraw/zinc/45/64/41/945456441.db2.gz NNAGPMRXMVWQTR-MNOVXSKESA-N -1 1 385.457 0.854 20 0 GCADMM Cc1nscc1C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263434 945458260 /nfs/dbraw/zinc/45/82/60/945458260.db2.gz PWNRFJDDKLLCRN-NSHDSACASA-N -1 1 385.457 0.808 20 0 GCADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571263519 945459456 /nfs/dbraw/zinc/45/94/56/945459456.db2.gz SFPOBDXJFRDSMW-MWLCHTKSSA-N -1 1 385.457 0.806 20 0 GCADMM Cc1ncc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)s1 ZINC001571263490 945459622 /nfs/dbraw/zinc/45/96/22/945459622.db2.gz RINZOEMNADYXQA-NSHDSACASA-N -1 1 385.457 0.806 20 0 GCADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571263520 945461240 /nfs/dbraw/zinc/46/12/40/945461240.db2.gz SFPOBDXJFRDSMW-ONGXEEELSA-N -1 1 385.457 0.806 20 0 GCADMM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)C1=O ZINC000820636247 945504927 /nfs/dbraw/zinc/50/49/27/945504927.db2.gz QSYUUQMMTUGOEY-MRXNPFEDSA-N -1 1 398.408 0.729 20 0 GCADMM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)C1=O ZINC000820636247 945504931 /nfs/dbraw/zinc/50/49/31/945504931.db2.gz QSYUUQMMTUGOEY-MRXNPFEDSA-N -1 1 398.408 0.729 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC001571266724 945551473 /nfs/dbraw/zinc/55/14/73/945551473.db2.gz XYMWNUZBWHTWNH-RKDXNWHRSA-N -1 1 385.475 0.078 20 0 GCADMM COC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)Oc1ccccc1 ZINC001571267449 945571344 /nfs/dbraw/zinc/57/13/44/945571344.db2.gz VNZMPPBRLQRHLW-CYBMUJFWSA-N -1 1 386.368 0.442 20 0 GCADMM COC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)Oc1ccccc1 ZINC001571267449 945571353 /nfs/dbraw/zinc/57/13/53/945571353.db2.gz VNZMPPBRLQRHLW-CYBMUJFWSA-N -1 1 386.368 0.442 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267622 945574409 /nfs/dbraw/zinc/57/44/09/945574409.db2.gz AMVWMKPYHZTWCN-DDHJBXDOSA-N -1 1 386.416 0.305 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267622 945574422 /nfs/dbraw/zinc/57/44/22/945574422.db2.gz AMVWMKPYHZTWCN-DDHJBXDOSA-N -1 1 386.416 0.305 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCc3nc[nH]c(=O)c3C2)cc1-c1nn[n-]n1 ZINC001571267672 945574857 /nfs/dbraw/zinc/57/48/57/945574857.db2.gz BMPHFIMATCOYLA-UHFFFAOYSA-N -1 1 386.397 0.383 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267687 945577187 /nfs/dbraw/zinc/57/71/87/945577187.db2.gz BRAATAJBGMBJOB-ZJUUUORDSA-N -1 1 386.395 0.838 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267685 945577961 /nfs/dbraw/zinc/57/79/61/945577961.db2.gz BRAATAJBGMBJOB-UWVGGRQHSA-N -1 1 386.395 0.838 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001571267857 945580729 /nfs/dbraw/zinc/58/07/29/945580729.db2.gz GUCYVYMRTNADFC-BXUZGUMPSA-N -1 1 386.416 0.031 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001571267857 945580735 /nfs/dbraw/zinc/58/07/35/945580735.db2.gz GUCYVYMRTNADFC-BXUZGUMPSA-N -1 1 386.416 0.031 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1n[nH]cc1F ZINC001571267935 945582947 /nfs/dbraw/zinc/58/29/47/945582947.db2.gz JIZBGDBONAXEKL-MWLCHTKSSA-N -1 1 386.395 0.920 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1n[nH]cc1F ZINC001571267935 945582957 /nfs/dbraw/zinc/58/29/57/945582957.db2.gz JIZBGDBONAXEKL-MWLCHTKSSA-N -1 1 386.395 0.920 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1n[nH]cc1F ZINC001571267934 945583462 /nfs/dbraw/zinc/58/34/62/945583462.db2.gz JIZBGDBONAXEKL-KOLCDFICSA-N -1 1 386.395 0.920 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1n[nH]cc1F ZINC001571267934 945583475 /nfs/dbraw/zinc/58/34/75/945583475.db2.gz JIZBGDBONAXEKL-KOLCDFICSA-N -1 1 386.395 0.920 20 0 GCADMM COC(=O)C1(C2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)CCC1 ZINC001571268105 945587093 /nfs/dbraw/zinc/58/70/93/945587093.db2.gz NYQKRMKEKSQAPK-UHFFFAOYSA-N -1 1 386.412 0.572 20 0 GCADMM COC(=O)C1(C2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)CCC1 ZINC001571268105 945587105 /nfs/dbraw/zinc/58/71/05/945587105.db2.gz NYQKRMKEKSQAPK-UHFFFAOYSA-N -1 1 386.412 0.572 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571268310 945591429 /nfs/dbraw/zinc/59/14/29/945591429.db2.gz RDJVTBDQIFTART-SNVBAGLBSA-N -1 1 386.395 0.189 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571268424 945596258 /nfs/dbraw/zinc/59/62/58/945596258.db2.gz ROIFLJIIHXNKNM-WDEREUQCSA-N -1 1 386.416 0.259 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571268424 945596266 /nfs/dbraw/zinc/59/62/66/945596266.db2.gz ROIFLJIIHXNKNM-WDEREUQCSA-N -1 1 386.416 0.259 20 0 GCADMM O=C(C[C@@H]1COC(=O)C1)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571268572 945600307 /nfs/dbraw/zinc/60/03/07/945600307.db2.gz HMONNADCWDJFJP-SRVKXCTJSA-N -1 1 386.416 0.449 20 0 GCADMM O=C(C[C@@H]1COC(=O)C1)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571268572 945600310 /nfs/dbraw/zinc/60/03/10/945600310.db2.gz HMONNADCWDJFJP-SRVKXCTJSA-N -1 1 386.416 0.449 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571268684 945602567 /nfs/dbraw/zinc/60/25/67/945602567.db2.gz WMFORYDQYZWJNJ-YPMHNXCESA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571268684 945602569 /nfs/dbraw/zinc/60/25/69/945602569.db2.gz WMFORYDQYZWJNJ-YPMHNXCESA-N -1 1 386.416 0.584 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@@H](O)COCc2ccccc2)n1 ZINC001571268784 945603594 /nfs/dbraw/zinc/60/35/94/945603594.db2.gz KIXMIFHXUIMHMS-CYBMUJFWSA-N -1 1 386.416 0.690 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@@H](O)COCc2ccccc2)n1 ZINC001571268784 945603601 /nfs/dbraw/zinc/60/36/01/945603601.db2.gz KIXMIFHXUIMHMS-CYBMUJFWSA-N -1 1 386.416 0.690 20 0 GCADMM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001571268752 945604073 /nfs/dbraw/zinc/60/40/73/945604073.db2.gz JNNSPBNDVGOARC-CABZTGNLSA-N -1 1 386.420 0.049 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1=COCCO1 ZINC001571269238 945615769 /nfs/dbraw/zinc/61/57/69/945615769.db2.gz STYWNSRSIUUZRG-VXGBXAGGSA-N -1 1 386.416 0.054 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3csnn3)C(C)(C)C2)n1 ZINC001571269615 945620894 /nfs/dbraw/zinc/62/08/94/945620894.db2.gz AIGOVVKAGFDOJO-LLVKDONJSA-N -1 1 386.445 0.461 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3csnn3)C(C)(C)C2)n1 ZINC001571269615 945620898 /nfs/dbraw/zinc/62/08/98/945620898.db2.gz AIGOVVKAGFDOJO-LLVKDONJSA-N -1 1 386.445 0.461 20 0 GCADMM O=C(C1=COCCO1)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571269475 945620963 /nfs/dbraw/zinc/62/09/63/945620963.db2.gz ZKUQUWVXDPFGND-UHFFFAOYSA-N -1 1 386.416 0.586 20 0 GCADMM O=C(C1=COCCO1)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571269475 945620969 /nfs/dbraw/zinc/62/09/69/945620969.db2.gz ZKUQUWVXDPFGND-UHFFFAOYSA-N -1 1 386.416 0.586 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571269461 945621752 /nfs/dbraw/zinc/62/17/52/945621752.db2.gz YVLDIRWRDWVZSY-RYUDHWBXSA-N -1 1 386.416 0.693 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571269461 945621757 /nfs/dbraw/zinc/62/17/57/945621757.db2.gz YVLDIRWRDWVZSY-RYUDHWBXSA-N -1 1 386.416 0.693 20 0 GCADMM Cc1sccc1C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269682 945623562 /nfs/dbraw/zinc/62/35/62/945623562.db2.gz CBJJACKDLOZARY-LLVKDONJSA-N -1 1 386.441 0.980 20 0 GCADMM Cc1sccc1C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269682 945623568 /nfs/dbraw/zinc/62/35/68/945623568.db2.gz CBJJACKDLOZARY-LLVKDONJSA-N -1 1 386.441 0.980 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cnsn2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571269871 945624670 /nfs/dbraw/zinc/62/46/70/945624670.db2.gz FTYLJNVGOCEIKZ-SNVBAGLBSA-N -1 1 386.445 0.497 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cnsn2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571269871 945624674 /nfs/dbraw/zinc/62/46/74/945624674.db2.gz FTYLJNVGOCEIKZ-SNVBAGLBSA-N -1 1 386.445 0.497 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)c1-c1nn[n-]n1 ZINC001571270248 945632856 /nfs/dbraw/zinc/63/28/56/945632856.db2.gz OCPIBADQJYHMOS-LLVKDONJSA-N -1 1 386.441 0.339 20 0 GCADMM O=C(c1cccs1)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571270288 945633012 /nfs/dbraw/zinc/63/30/12/945633012.db2.gz PGCMUYBLHOEMKX-UHFFFAOYSA-N -1 1 386.441 0.797 20 0 GCADMM O=C(c1cccs1)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571270288 945633016 /nfs/dbraw/zinc/63/30/16/945633016.db2.gz PGCMUYBLHOEMKX-UHFFFAOYSA-N -1 1 386.441 0.797 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)c1-c1nn[n-]n1 ZINC001571270252 945633058 /nfs/dbraw/zinc/63/30/58/945633058.db2.gz OFSFLDSCNOPWRX-LLVKDONJSA-N -1 1 386.441 0.506 20 0 GCADMM C[C@@H](NC(=O)c1csnn1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571270235 945633788 /nfs/dbraw/zinc/63/37/88/945633788.db2.gz NZUZXTGPIFRWJA-SECBINFHSA-N -1 1 386.445 0.543 20 0 GCADMM CCc1nnsc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571270353 945634921 /nfs/dbraw/zinc/63/49/21/945634921.db2.gz RAPKGBRBQBCLES-LDYMZIIASA-N -1 1 386.445 0.325 20 0 GCADMM CCc1nnsc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571270353 945634926 /nfs/dbraw/zinc/63/49/26/945634926.db2.gz RAPKGBRBQBCLES-LDYMZIIASA-N -1 1 386.445 0.325 20 0 GCADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3cnns3)C2)cc(-c2nnn[n-]2)n1 ZINC001571270633 945639077 /nfs/dbraw/zinc/63/90/77/945639077.db2.gz XEUISVARNXEKJH-DTWKUNHWSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3cnns3)C2)cc(-c2nn[n-]n2)n1 ZINC001571270633 945639092 /nfs/dbraw/zinc/63/90/92/945639092.db2.gz XEUISVARNXEKJH-DTWKUNHWSA-N -1 1 386.445 0.786 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1cnsn1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571270658 945640257 /nfs/dbraw/zinc/64/02/57/945640257.db2.gz YCUUQQNFMRNYLD-SNVBAGLBSA-N -1 1 386.445 0.639 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1cnsn1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571270658 945640263 /nfs/dbraw/zinc/64/02/63/945640263.db2.gz YCUUQQNFMRNYLD-SNVBAGLBSA-N -1 1 386.445 0.639 20 0 GCADMM C[C@H]1CN(C(=O)c2cnns2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270666 945640880 /nfs/dbraw/zinc/64/08/80/945640880.db2.gz YFQRLSQFWXCHPQ-UWVGGRQHSA-N -1 1 386.445 0.140 20 0 GCADMM Cc1nnsc1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270702 945641532 /nfs/dbraw/zinc/64/15/32/945641532.db2.gz ZECUBQCDQNTDIM-JTQLQIEISA-N -1 1 386.445 0.463 20 0 GCADMM Cc1nnsc1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270702 945641541 /nfs/dbraw/zinc/64/15/41/945641541.db2.gz ZECUBQCDQNTDIM-JTQLQIEISA-N -1 1 386.445 0.463 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001571272434 945661589 /nfs/dbraw/zinc/66/15/89/945661589.db2.gz DRJDDLKQKVMUFW-BLLLJJGKSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001571272434 945661593 /nfs/dbraw/zinc/66/15/93/945661593.db2.gz DRJDDLKQKVMUFW-BLLLJJGKSA-N -1 1 386.460 0.757 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCOC[C@@H]3C)C2)n1 ZINC001571272462 945663941 /nfs/dbraw/zinc/66/39/41/945663941.db2.gz FIKDJSDEMLTWKD-DOERSZECSA-N -1 1 386.460 0.944 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCOC[C@@H]3C)C2)n1 ZINC001571272462 945663944 /nfs/dbraw/zinc/66/39/44/945663944.db2.gz FIKDJSDEMLTWKD-DOERSZECSA-N -1 1 386.460 0.944 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)CC2CCOCC2)C1 ZINC001571272625 945666952 /nfs/dbraw/zinc/66/69/52/945666952.db2.gz GHBDAHWMAXCPPV-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)CC2CCOCC2)C1 ZINC001571272625 945666956 /nfs/dbraw/zinc/66/69/56/945666956.db2.gz GHBDAHWMAXCPPV-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCOCC1 ZINC001571272637 945667113 /nfs/dbraw/zinc/66/71/13/945667113.db2.gz GRMYRGBKEIUMBS-CQSZACIVSA-N -1 1 386.460 0.806 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@@H]3CCC3(C)C)[C@@H](O)C2)n1 ZINC001571272679 945669162 /nfs/dbraw/zinc/66/91/62/945669162.db2.gz HPQGFRLMALZJHE-UHTWSYAYSA-N -1 1 386.460 0.321 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@@H]3CCC3(C)C)[C@@H](O)C2)n1 ZINC001571272679 945669166 /nfs/dbraw/zinc/66/91/66/945669166.db2.gz HPQGFRLMALZJHE-UHTWSYAYSA-N -1 1 386.460 0.321 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2CCN(C(=O)[C@@H]3CCOC3)CC2)n1 ZINC001571272789 945671977 /nfs/dbraw/zinc/67/19/77/945671977.db2.gz IHPSITKKDXVVCL-CQSZACIVSA-N -1 1 386.460 0.676 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2CCN(C(=O)[C@@H]3CCOC3)CC2)n1 ZINC001571272789 945671983 /nfs/dbraw/zinc/67/19/83/945671983.db2.gz IHPSITKKDXVVCL-CQSZACIVSA-N -1 1 386.460 0.676 20 0 GCADMM O=C(CC[C@H]1CCCO1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571272881 945672967 /nfs/dbraw/zinc/67/29/67/945672967.db2.gz JZCOYPVTQPNCDZ-UONOGXRCSA-N -1 1 386.460 0.831 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)C[C@H]1CCOC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571272889 945673169 /nfs/dbraw/zinc/67/31/69/945673169.db2.gz KDLMBNYBPMNFSX-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)C[C@H]1CCOC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571272889 945673178 /nfs/dbraw/zinc/67/31/78/945673178.db2.gz KDLMBNYBPMNFSX-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CCCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272869 945674128 /nfs/dbraw/zinc/67/41/28/945674128.db2.gz JSJVBHGNQZREGV-CHWSQXEVSA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CCCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272869 945674132 /nfs/dbraw/zinc/67/41/32/945674132.db2.gz JSJVBHGNQZREGV-CHWSQXEVSA-N -1 1 386.460 0.906 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)C[C@H]3CCOC3)CC2)n1 ZINC001571272919 945675640 /nfs/dbraw/zinc/67/56/40/945675640.db2.gz KYKIVOOWUCOIPE-ZIAGYGMSSA-N -1 1 386.460 0.867 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)C[C@H]3CCOC3)CC2)n1 ZINC001571272919 945675646 /nfs/dbraw/zinc/67/56/46/945675646.db2.gz KYKIVOOWUCOIPE-ZIAGYGMSSA-N -1 1 386.460 0.867 20 0 GCADMM C[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571273042 945677812 /nfs/dbraw/zinc/67/78/12/945677812.db2.gz NTXIAEWFDJISSX-HZSPNIEDSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571273042 945677817 /nfs/dbraw/zinc/67/78/17/945677817.db2.gz NTXIAEWFDJISSX-HZSPNIEDSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571273043 945678168 /nfs/dbraw/zinc/67/81/68/945678168.db2.gz NTXIAEWFDJISSX-MGPQQGTHSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571273043 945678170 /nfs/dbraw/zinc/67/81/70/945678170.db2.gz NTXIAEWFDJISSX-MGPQQGTHSA-N -1 1 386.460 0.980 20 0 GCADMM CN(C(=O)C[C@@H]1CC(C)(C)CO1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273157 945679962 /nfs/dbraw/zinc/67/99/62/945679962.db2.gz QTCJZJYFXLDVOG-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273109 945680083 /nfs/dbraw/zinc/68/00/83/945680083.db2.gz PLNBICUASHLRIW-ZIAGYGMSSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273109 945680090 /nfs/dbraw/zinc/68/00/90/945680090.db2.gz PLNBICUASHLRIW-ZIAGYGMSSA-N -1 1 386.460 0.758 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571273122 945680106 /nfs/dbraw/zinc/68/01/06/945680106.db2.gz PRATUUGEZOSTQA-BVRBVLIYSA-N -1 1 386.460 0.905 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571273122 945680113 /nfs/dbraw/zinc/68/01/13/945680113.db2.gz PRATUUGEZOSTQA-BVRBVLIYSA-N -1 1 386.460 0.905 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)C[C@H]3CC(C)(C)CO3)CC2)n1 ZINC001571273176 945681498 /nfs/dbraw/zinc/68/14/98/945681498.db2.gz RTUURVZNOAJWRW-ZDUSSCGKSA-N -1 1 386.460 0.819 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)C[C@H]3CC(C)(C)CO3)CC2)n1 ZINC001571273176 945681506 /nfs/dbraw/zinc/68/15/06/945681506.db2.gz RTUURVZNOAJWRW-ZDUSSCGKSA-N -1 1 386.460 0.819 20 0 GCADMM CN(C(=O)C[C@H]1CC(C)(C)CO1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273158 945682177 /nfs/dbraw/zinc/68/21/77/945682177.db2.gz QTCJZJYFXLDVOG-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCOCC1 ZINC001571273397 945686395 /nfs/dbraw/zinc/68/63/95/945686395.db2.gz WYGSBBZCKCTPFY-UONOGXRCSA-N -1 1 386.460 0.806 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCOCC1 ZINC001571273397 945686406 /nfs/dbraw/zinc/68/64/06/945686406.db2.gz WYGSBBZCKCTPFY-UONOGXRCSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001571273448 945688200 /nfs/dbraw/zinc/68/82/00/945688200.db2.gz XORZWKXOQXBFIE-YRGRVCCFSA-N -1 1 386.460 0.803 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001571273448 945688206 /nfs/dbraw/zinc/68/82/06/945688206.db2.gz XORZWKXOQXBFIE-YRGRVCCFSA-N -1 1 386.460 0.803 20 0 GCADMM C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571273514 945689670 /nfs/dbraw/zinc/68/96/70/945689670.db2.gz YVXFXNYQOUXYDR-MCIONIFRSA-N -1 1 386.460 0.544 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001571273556 945690304 /nfs/dbraw/zinc/69/03/04/945690304.db2.gz ZTYAWZCZKNCJAE-CZUORRHYSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001571273556 945690313 /nfs/dbraw/zinc/69/03/13/945690313.db2.gz ZTYAWZCZKNCJAE-CZUORRHYSA-N -1 1 386.460 0.899 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2c(F)cncc2F)C1 ZINC001571274389 945697387 /nfs/dbraw/zinc/69/73/87/945697387.db2.gz GJUJWJXUUQBGMN-VIFPVBQESA-N -1 1 387.354 0.681 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2c(F)cncc2F)C1 ZINC001571274389 945697391 /nfs/dbraw/zinc/69/73/91/945697391.db2.gz GJUJWJXUUQBGMN-VIFPVBQESA-N -1 1 387.354 0.681 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ncc(F)cc1F ZINC001571275513 945706356 /nfs/dbraw/zinc/70/63/56/945706356.db2.gz VJDXHWZFVMKPOY-JTQLQIEISA-N -1 1 387.354 0.729 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ncc(F)cc1F ZINC001571275513 945706361 /nfs/dbraw/zinc/70/63/61/945706361.db2.gz VJDXHWZFVMKPOY-JTQLQIEISA-N -1 1 387.354 0.729 20 0 GCADMM CC(C)(CC(N)=O)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001571275499 945707499 /nfs/dbraw/zinc/70/74/99/945707499.db2.gz UZTHXAOWXBSORN-UHFFFAOYSA-N -1 1 387.379 0.967 20 0 GCADMM Cc1ccc(F)c(CCNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001571275604 945709026 /nfs/dbraw/zinc/70/90/26/945709026.db2.gz YMTRADCLKGTUTD-UHFFFAOYSA-N -1 1 387.375 0.326 20 0 GCADMM C[C@H]1CN(C(=O)CC2CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571275692 945711613 /nfs/dbraw/zinc/71/16/13/945711613.db2.gz ATPVUCVPWZSPDT-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CN(C(=O)CC2CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571275692 945711623 /nfs/dbraw/zinc/71/16/23/945711623.db2.gz ATPVUCVPWZSPDT-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001571275731 945713545 /nfs/dbraw/zinc/71/35/45/945713545.db2.gz BNEPFNGUSSRVDJ-OCCSQVGLSA-N -1 1 386.460 0.544 20 0 GCADMM CC(C)(O)CC(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571275797 945715587 /nfs/dbraw/zinc/71/55/87/945715587.db2.gz CNVTWQOLNSOWAC-SFHVURJKSA-N -1 1 386.460 0.637 20 0 GCADMM CC(C)(O)CC(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571275797 945715598 /nfs/dbraw/zinc/71/55/98/945715598.db2.gz CNVTWQOLNSOWAC-SFHVURJKSA-N -1 1 386.460 0.637 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571275821 945716040 /nfs/dbraw/zinc/71/60/40/945716040.db2.gz CZFHZDJQLWOLTR-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571275821 945716047 /nfs/dbraw/zinc/71/60/47/945716047.db2.gz CZFHZDJQLWOLTR-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571275791 945716087 /nfs/dbraw/zinc/71/60/87/945716087.db2.gz CLRRGWVPGGNHDK-BNOWGMLFSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571275791 945716092 /nfs/dbraw/zinc/71/60/92/945716092.db2.gz CLRRGWVPGGNHDK-BNOWGMLFSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC[C@@H](C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571275801 945716254 /nfs/dbraw/zinc/71/62/54/945716254.db2.gz CRCWIZFRIBNYRB-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC[C@@H](C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571275801 945716257 /nfs/dbraw/zinc/71/62/57/945716257.db2.gz CRCWIZFRIBNYRB-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571275851 945716476 /nfs/dbraw/zinc/71/64/76/945716476.db2.gz DFUGRXAJKSLFBZ-ZDUSSCGKSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@](O)(CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001571275859 945717926 /nfs/dbraw/zinc/71/79/26/945717926.db2.gz DJDOHDAESGMTMH-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@](O)(CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001571275859 945717939 /nfs/dbraw/zinc/71/79/39/945717939.db2.gz DJDOHDAESGMTMH-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM CCN(C(=O)[C@H]1CCCOCC1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571276070 945722488 /nfs/dbraw/zinc/72/24/88/945722488.db2.gz GVSOADYJDDELBN-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CCN(C(=O)[C@H]1CCCOCC1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571276070 945722498 /nfs/dbraw/zinc/72/24/98/945722498.db2.gz GVSOADYJDDELBN-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CCC1(C(=O)N2CCC[C@H](N(CCO)c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571277576 945743102 /nfs/dbraw/zinc/74/31/02/945743102.db2.gz LUICKIGRNZBSBQ-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@]1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001571277522 945743253 /nfs/dbraw/zinc/74/32/53/945743253.db2.gz LFDBXCXCNRRLMQ-UGSOOPFHSA-N -1 1 386.460 0.546 20 0 GCADMM CC1CCC(OCC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571277641 945744708 /nfs/dbraw/zinc/74/47/08/945744708.db2.gz MRPKHFSIISYBHT-MOKVOYLWSA-N -1 1 386.460 0.687 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571278490 945752987 /nfs/dbraw/zinc/75/29/87/945752987.db2.gz OFEQOUGWZANJHL-JHJVBQTASA-N -1 1 386.460 0.400 20 0 GCADMM CC1(C)CC[C@H](CNC(=O)[C@H]2CCOC2)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571278515 945755187 /nfs/dbraw/zinc/75/51/87/945755187.db2.gz OSYWAYIWEGHYOX-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC[C@H](CNC(=O)[C@H]2CCOC2)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571278515 945755195 /nfs/dbraw/zinc/75/51/95/945755195.db2.gz OSYWAYIWEGHYOX-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571278528 945755538 /nfs/dbraw/zinc/75/55/38/945755538.db2.gz PASUNOCWPMSDHW-AGIUHOORSA-N -1 1 386.460 0.543 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC001571278535 945756585 /nfs/dbraw/zinc/75/65/85/945756585.db2.gz PBLOUMLSHTVYJZ-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC001571278535 945756593 /nfs/dbraw/zinc/75/65/93/945756593.db2.gz PBLOUMLSHTVYJZ-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278701 945758860 /nfs/dbraw/zinc/75/88/60/945758860.db2.gz RAHVUGKJMHGZOT-ZFWWWQNUSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278701 945758865 /nfs/dbraw/zinc/75/88/65/945758865.db2.gz RAHVUGKJMHGZOT-ZFWWWQNUSA-N -1 1 386.460 0.757 20 0 GCADMM COCc1ncsc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571278717 945758997 /nfs/dbraw/zinc/75/89/97/945758997.db2.gz ASQBJJWMCSJLTC-SECBINFHSA-N -1 1 387.429 0.008 20 0 GCADMM O=C(c1csc(=O)[nH]1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571278836 945763107 /nfs/dbraw/zinc/76/31/07/945763107.db2.gz DHGHABAIOKOGCR-SECBINFHSA-N -1 1 387.429 0.926 20 0 GCADMM O=C(c1csc(=O)[nH]1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571278836 945763114 /nfs/dbraw/zinc/76/31/14/945763114.db2.gz DHGHABAIOKOGCR-SECBINFHSA-N -1 1 387.429 0.926 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)CCCCC1 ZINC001571278974 945766874 /nfs/dbraw/zinc/76/68/74/945766874.db2.gz TXNUFZYHDHCUJQ-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001571279061 945769183 /nfs/dbraw/zinc/76/91/83/945769183.db2.gz HRCKRZLRTKNNNS-SECBINFHSA-N -1 1 387.429 0.560 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001571279061 945769188 /nfs/dbraw/zinc/76/91/88/945769188.db2.gz HRCKRZLRTKNNNS-SECBINFHSA-N -1 1 387.429 0.560 20 0 GCADMM O=C(c1nccs1)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571279203 945772158 /nfs/dbraw/zinc/77/21/58/945772158.db2.gz KYSXRCGRXOMCGD-SNVBAGLBSA-N -1 1 387.429 0.456 20 0 GCADMM O=C(c1nccs1)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571279203 945772167 /nfs/dbraw/zinc/77/21/67/945772167.db2.gz KYSXRCGRXOMCGD-SNVBAGLBSA-N -1 1 387.429 0.456 20 0 GCADMM COCc1ncsc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571279279 945773993 /nfs/dbraw/zinc/77/39/93/945773993.db2.gz MYFRKVNWPYOXQD-DTORHVGOSA-N -1 1 387.429 0.633 20 0 GCADMM COCc1ncsc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571279279 945773998 /nfs/dbraw/zinc/77/39/98/945773998.db2.gz MYFRKVNWPYOXQD-DTORHVGOSA-N -1 1 387.429 0.633 20 0 GCADMM CCC(C)(C)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571279313 945775274 /nfs/dbraw/zinc/77/52/74/945775274.db2.gz UQOZJGAVDUGTPX-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CCC(C)(C)C(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571279313 945775276 /nfs/dbraw/zinc/77/52/76/945775276.db2.gz UQOZJGAVDUGTPX-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571279343 945775846 /nfs/dbraw/zinc/77/58/46/945775846.db2.gz VHZQVPGYXVCIHE-JSGCOSHPSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)CC2CCOCC2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571279662 945783521 /nfs/dbraw/zinc/78/35/21/945783521.db2.gz XSZBNQUJSWKZLB-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)CC2CCOCC2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571279662 945783524 /nfs/dbraw/zinc/78/35/24/945783524.db2.gz XSZBNQUJSWKZLB-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)sn1 ZINC001571279771 945787155 /nfs/dbraw/zinc/78/71/55/945787155.db2.gz VGVKZVRWHCUOOJ-SECBINFHSA-N -1 1 387.429 0.473 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)sn1 ZINC001571279771 945787160 /nfs/dbraw/zinc/78/71/60/945787160.db2.gz VGVKZVRWHCUOOJ-SECBINFHSA-N -1 1 387.429 0.473 20 0 GCADMM COc1cc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)sn1 ZINC001571279819 945789339 /nfs/dbraw/zinc/78/93/39/945789339.db2.gz XCKXMVDPEAFLLF-KYZUINATSA-N -1 1 387.429 0.742 20 0 GCADMM COc1cc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)sn1 ZINC001571279819 945789346 /nfs/dbraw/zinc/78/93/46/945789346.db2.gz XCKXMVDPEAFLLF-KYZUINATSA-N -1 1 387.429 0.742 20 0 GCADMM Cc1nscc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571279860 945790213 /nfs/dbraw/zinc/79/02/13/945790213.db2.gz YBAMKSMSCOMSLU-JTQLQIEISA-N -1 1 387.429 0.375 20 0 GCADMM Cc1nscc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571279860 945790218 /nfs/dbraw/zinc/79/02/18/945790218.db2.gz YBAMKSMSCOMSLU-JTQLQIEISA-N -1 1 387.429 0.375 20 0 GCADMM Cc1nsc(N[C@@H]2CCCN(C(=O)c3cn[nH]c(=O)c3)C2)c1-c1nn[n-]n1 ZINC001571279915 945791470 /nfs/dbraw/zinc/79/14/70/945791470.db2.gz ZICBXXLLCYAWOF-SNVBAGLBSA-N -1 1 387.429 0.844 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571280019 945795902 /nfs/dbraw/zinc/79/59/02/945795902.db2.gz ZQNUHYVKSBMZKB-BZPMIXESSA-N -1 1 386.460 0.543 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573447476 945801838 /nfs/dbraw/zinc/80/18/38/945801838.db2.gz ZCXLDFCQHGNKIL-QWHCGFSZSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573447476 945801843 /nfs/dbraw/zinc/80/18/43/945801843.db2.gz ZCXLDFCQHGNKIL-QWHCGFSZSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001573447818 945804163 /nfs/dbraw/zinc/80/41/63/945804163.db2.gz DCFJEWWZRUDCGL-CYBMUJFWSA-N -1 1 381.400 0.456 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573449064 945812131 /nfs/dbraw/zinc/81/21/31/945812131.db2.gz QQVHVCFRUGCFRL-GRYCIOLGSA-N -1 1 390.473 0.702 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573452066 945842443 /nfs/dbraw/zinc/84/24/43/945842443.db2.gz AGGWNBDJECDIRN-GTNSWQLSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573452064 945843020 /nfs/dbraw/zinc/84/30/20/945843020.db2.gz AGGWNBDJECDIRN-APPDUMDISA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573452072 945844529 /nfs/dbraw/zinc/84/45/29/945844529.db2.gz AKMQZZXLYCEJSG-SJCJKPOMSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573452072 945844548 /nfs/dbraw/zinc/84/45/48/945844548.db2.gz AKMQZZXLYCEJSG-SJCJKPOMSA-N -1 1 387.448 0.220 20 0 GCADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001571282540 945851957 /nfs/dbraw/zinc/85/19/57/945851957.db2.gz JTXXERUJIKEDMA-JHJVBQTASA-N -1 1 387.444 0.852 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453516 945860575 /nfs/dbraw/zinc/86/05/75/945860575.db2.gz LKSKUWCCXNFSOX-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453516 945860584 /nfs/dbraw/zinc/86/05/84/945860584.db2.gz LKSKUWCCXNFSOX-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453525 945863066 /nfs/dbraw/zinc/86/30/66/945863066.db2.gz LMVQOHATNOZHQE-DIFFPNOSSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453525 945863082 /nfs/dbraw/zinc/86/30/82/945863082.db2.gz LMVQOHATNOZHQE-DIFFPNOSSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453805 945865841 /nfs/dbraw/zinc/86/58/41/945865841.db2.gz QQYSPEWHQVCUMI-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453805 945865858 /nfs/dbraw/zinc/86/58/58/945865858.db2.gz QQYSPEWHQVCUMI-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453789 945866319 /nfs/dbraw/zinc/86/63/19/945866319.db2.gz QFYYJDMRUIMCBL-PIGZYNQJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453789 945866332 /nfs/dbraw/zinc/86/63/32/945866332.db2.gz QFYYJDMRUIMCBL-PIGZYNQJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453788 945867426 /nfs/dbraw/zinc/86/74/26/945867426.db2.gz QFYYJDMRUIMCBL-GTNSWQLSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453788 945867440 /nfs/dbraw/zinc/86/74/40/945867440.db2.gz QFYYJDMRUIMCBL-GTNSWQLSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573454005 945871217 /nfs/dbraw/zinc/87/12/17/945871217.db2.gz SXPHONGYLJOWFP-PIGZYNQJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573454005 945871227 /nfs/dbraw/zinc/87/12/27/945871227.db2.gz SXPHONGYLJOWFP-PIGZYNQJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573455311 945880980 /nfs/dbraw/zinc/88/09/80/945880980.db2.gz CKDBJZSMLZQPRL-APPDUMDISA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573455311 945880994 /nfs/dbraw/zinc/88/09/94/945880994.db2.gz CKDBJZSMLZQPRL-APPDUMDISA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573455551 945882215 /nfs/dbraw/zinc/88/22/15/945882215.db2.gz DVQHUPORYJGGDQ-QLJPJBMISA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573455551 945882227 /nfs/dbraw/zinc/88/22/27/945882227.db2.gz DVQHUPORYJGGDQ-QLJPJBMISA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573456308 945887518 /nfs/dbraw/zinc/88/75/18/945887518.db2.gz IPFVCFUMEARIGF-LLVKDONJSA-N -1 1 392.489 0.807 20 0 GCADMM COc1cccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c1 ZINC000821871624 945889585 /nfs/dbraw/zinc/88/95/85/945889585.db2.gz BPKFYXQMPWEUGB-UHFFFAOYSA-N -1 1 383.416 0.963 20 0 GCADMM COc1cccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c1 ZINC000821871624 945889600 /nfs/dbraw/zinc/88/96/00/945889600.db2.gz BPKFYXQMPWEUGB-UHFFFAOYSA-N -1 1 383.416 0.963 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573456560 945893711 /nfs/dbraw/zinc/89/37/11/945893711.db2.gz LQDDSYKLDNBWKI-RNCFNFMXSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573456560 945893730 /nfs/dbraw/zinc/89/37/30/945893730.db2.gz LQDDSYKLDNBWKI-RNCFNFMXSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573456636 945898220 /nfs/dbraw/zinc/89/82/20/945898220.db2.gz NSSDQFQFINTUHB-ZYHUDNBSSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573456636 945898233 /nfs/dbraw/zinc/89/82/33/945898233.db2.gz NSSDQFQFINTUHB-ZYHUDNBSSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573456990 945900528 /nfs/dbraw/zinc/90/05/28/945900528.db2.gz RHOWBOULHLXYMK-DIFFPNOSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573456990 945900537 /nfs/dbraw/zinc/90/05/37/945900537.db2.gz RHOWBOULHLXYMK-DIFFPNOSSA-N -1 1 389.464 0.514 20 0 GCADMM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821897940 945901811 /nfs/dbraw/zinc/90/18/11/945901811.db2.gz LJDXLWSOKFYDKH-AWEZNQCLSA-N -1 1 398.427 0.675 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573457334 945905316 /nfs/dbraw/zinc/90/53/16/945905316.db2.gz VVCHNCOHPSTSHA-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573457334 945905320 /nfs/dbraw/zinc/90/53/20/945905320.db2.gz VVCHNCOHPSTSHA-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573457252 945905801 /nfs/dbraw/zinc/90/58/01/945905801.db2.gz VAABANBDTJJRDL-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573457252 945905808 /nfs/dbraw/zinc/90/58/08/945905808.db2.gz VAABANBDTJJRDL-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573457257 945905952 /nfs/dbraw/zinc/90/59/52/945905952.db2.gz VABLKMDCGMHZSY-QMMMGPOBSA-N -1 1 380.478 0.805 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573459588 945913227 /nfs/dbraw/zinc/91/32/27/945913227.db2.gz GQPYCCWYEODSSU-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573459588 945913238 /nfs/dbraw/zinc/91/32/38/945913238.db2.gz GQPYCCWYEODSSU-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573460432 945917355 /nfs/dbraw/zinc/91/73/55/945917355.db2.gz LGGFCDZCISRBBH-GFCCVEGCSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573460432 945917361 /nfs/dbraw/zinc/91/73/61/945917361.db2.gz LGGFCDZCISRBBH-GFCCVEGCSA-N -1 1 387.448 0.364 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CC[S@](C)=O ZINC000822005133 945917582 /nfs/dbraw/zinc/91/75/82/945917582.db2.gz OXFUWSWKSJLVCQ-MGGBDBEPSA-N -1 1 380.474 0.790 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573461903 945925135 /nfs/dbraw/zinc/92/51/35/945925135.db2.gz TTWQVDKJUQFJGZ-LBPRGKRZSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573461903 945925137 /nfs/dbraw/zinc/92/51/37/945925137.db2.gz TTWQVDKJUQFJGZ-LBPRGKRZSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573462019 945926814 /nfs/dbraw/zinc/92/68/14/945926814.db2.gz WDHFNMAOKMMHHO-UHFFFAOYSA-N -1 1 388.432 0.034 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573462019 945926822 /nfs/dbraw/zinc/92/68/22/945926822.db2.gz WDHFNMAOKMMHHO-UHFFFAOYSA-N -1 1 388.432 0.034 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573462211 945935062 /nfs/dbraw/zinc/93/50/62/945935062.db2.gz CKVNHGWSJOSHLU-LLVKDONJSA-N -1 1 392.489 0.853 20 0 GCADMM O=C(N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)[C@@]1(F)CCOC1 ZINC001571286243 945942701 /nfs/dbraw/zinc/94/27/01/945942701.db2.gz BWVKMICGNFOZTJ-DLBZAZTESA-N -1 1 388.407 0.214 20 0 GCADMM O=C(N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)[C@@]1(F)CCOC1 ZINC001571286243 945942711 /nfs/dbraw/zinc/94/27/11/945942711.db2.gz BWVKMICGNFOZTJ-DLBZAZTESA-N -1 1 388.407 0.214 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573462485 945942734 /nfs/dbraw/zinc/94/27/34/945942734.db2.gz KHGDDRVAIDZXLY-LBPRGKRZSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573462485 945942746 /nfs/dbraw/zinc/94/27/46/945942746.db2.gz KHGDDRVAIDZXLY-LBPRGKRZSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573462482 945942968 /nfs/dbraw/zinc/94/29/68/945942968.db2.gz 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ZINC001573464513 945966572 /nfs/dbraw/zinc/96/65/72/945966572.db2.gz LKKQEIZEJKESNJ-AOOOYVTPSA-N -1 1 378.462 0.605 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573467253 945974367 /nfs/dbraw/zinc/97/43/67/945974367.db2.gz ADPFMIUTPDHUFS-NKWVEPMBSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573467253 945974376 /nfs/dbraw/zinc/97/43/76/945974376.db2.gz ADPFMIUTPDHUFS-NKWVEPMBSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573467612 945984479 /nfs/dbraw/zinc/98/44/79/945984479.db2.gz GJEGFIGRDXVAOS-PKSQDBQZSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573467612 945984485 /nfs/dbraw/zinc/98/44/85/945984485.db2.gz GJEGFIGRDXVAOS-PKSQDBQZSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573468052 945988593 /nfs/dbraw/zinc/98/85/93/945988593.db2.gz KKXNEIUQSABMJE-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573468052 945988601 /nfs/dbraw/zinc/98/86/01/945988601.db2.gz KKXNEIUQSABMJE-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573468160 945991196 /nfs/dbraw/zinc/99/11/96/945991196.db2.gz LHYYLXSSXQFUKR-JTQLQIEISA-N -1 1 392.489 0.583 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573468168 945991660 /nfs/dbraw/zinc/99/16/60/945991660.db2.gz LKKQEIZEJKESNJ-MGCOHNPYSA-N -1 1 378.462 0.605 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573468531 945996048 /nfs/dbraw/zinc/99/60/48/945996048.db2.gz ONOZIYIFEQGCRK-NKWVEPMBSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573468391 945996312 /nfs/dbraw/zinc/99/63/12/945996312.db2.gz NPCVMCUROGSLTN-PKSQDBQZSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573468391 945996320 /nfs/dbraw/zinc/99/63/20/945996320.db2.gz NPCVMCUROGSLTN-PKSQDBQZSA-N -1 1 387.448 0.363 20 0 GCADMM Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571289472 946007260 /nfs/dbraw/zinc/00/72/60/946007260.db2.gz FOYSGQFUOCLQCP-LBPRGKRZSA-N -1 1 388.457 0.231 20 0 GCADMM CC[C@H](C)C(=O)N1CCC(N(CCO)c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571289762 946017473 /nfs/dbraw/zinc/01/74/73/946017473.db2.gz LXVRCGBZIXJZME-LBPRGKRZSA-N -1 1 388.476 0.801 20 0 GCADMM CC[C@H](C)C(=O)N1CCC(N(CCO)c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571289762 946017479 /nfs/dbraw/zinc/01/74/79/946017479.db2.gz LXVRCGBZIXJZME-LBPRGKRZSA-N -1 1 388.476 0.801 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@H](C)n3cncn3)C2)c1-c1nn[n-]n1 ZINC001571289756 946017550 /nfs/dbraw/zinc/01/75/50/946017550.db2.gz LWTKMPKVNKCRHM-QWRGUYRKSA-N -1 1 388.461 0.569 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)c3ncn(C)n3)CC2)c1-c1nn[n-]n1 ZINC001571289793 946017709 /nfs/dbraw/zinc/01/77/09/946017709.db2.gz MOSATLVCKVERQI-JTQLQIEISA-N -1 1 388.461 0.549 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573470258 946019016 /nfs/dbraw/zinc/01/90/16/946019016.db2.gz BONQCJHNVRVOBP-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573470258 946019022 /nfs/dbraw/zinc/01/90/22/946019022.db2.gz BONQCJHNVRVOBP-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)c2cn(C)nn2)c1-c1nn[n-]n1 ZINC001571289849 946021307 /nfs/dbraw/zinc/02/13/07/946021307.db2.gz NWYZUTSOFQOUPW-JTQLQIEISA-N -1 1 388.461 0.501 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(Nc3snc(C)c3-c3nn[n-]n3)CC2)[nH]1 ZINC001571289972 946023075 /nfs/dbraw/zinc/02/30/75/946023075.db2.gz RGGYGDZRNSEULE-UHFFFAOYSA-N -1 1 388.461 0.704 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573470455 946024686 /nfs/dbraw/zinc/02/46/86/946024686.db2.gz FJUYQSACXQSHET-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573470455 946024699 /nfs/dbraw/zinc/02/46/99/946024699.db2.gz FJUYQSACXQSHET-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573470457 946024832 /nfs/dbraw/zinc/02/48/32/946024832.db2.gz FJUYQSACXQSHET-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573470457 946024841 /nfs/dbraw/zinc/02/48/41/946024841.db2.gz FJUYQSACXQSHET-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)c3nnn(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571290269 946034037 /nfs/dbraw/zinc/03/40/37/946034037.db2.gz YXUSJMHWTOVYQD-AOOOYVTPSA-N -1 1 388.461 0.689 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573470894 946035613 /nfs/dbraw/zinc/03/56/13/946035613.db2.gz KNVMSXVKPCHXEK-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573470894 946035624 /nfs/dbraw/zinc/03/56/24/946035624.db2.gz KNVMSXVKPCHXEK-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573470923 946039158 /nfs/dbraw/zinc/03/91/58/946039158.db2.gz LCKXBOUVKXVHSZ-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573470923 946039173 /nfs/dbraw/zinc/03/91/73/946039173.db2.gz LCKXBOUVKXVHSZ-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM CCc1[nH]nc(Cl)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571290534 946049024 /nfs/dbraw/zinc/04/90/24/946049024.db2.gz IEXRZRXAXLKSNG-UHFFFAOYSA-N -1 1 388.823 0.558 20 0 GCADMM CCc1[nH]nc(Cl)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571290534 946049035 /nfs/dbraw/zinc/04/90/35/946049035.db2.gz IEXRZRXAXLKSNG-UHFFFAOYSA-N -1 1 388.823 0.558 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)Cn3cc(Cl)cn3)C2)n1 ZINC001571290791 946055445 /nfs/dbraw/zinc/05/54/45/946055445.db2.gz PEIPUJOOFUSSFB-NSHDSACASA-N -1 1 388.823 0.210 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)Cn3cc(Cl)cn3)C2)n1 ZINC001571290791 946055455 /nfs/dbraw/zinc/05/54/55/946055455.db2.gz PEIPUJOOFUSSFB-NSHDSACASA-N -1 1 388.823 0.210 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001571290775 946058232 /nfs/dbraw/zinc/05/82/32/946058232.db2.gz OLFWQIXIFAISKD-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001571290775 946058242 /nfs/dbraw/zinc/05/82/42/946058242.db2.gz OLFWQIXIFAISKD-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM CN(C(=O)c1c(Cl)cnn1C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571290917 946060158 /nfs/dbraw/zinc/06/01/58/946060158.db2.gz UNXUOUJWLYYLCL-SECBINFHSA-N -1 1 388.823 0.395 20 0 GCADMM CN(C(=O)c1c(Cl)cnn1C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571290917 946060170 /nfs/dbraw/zinc/06/01/70/946060170.db2.gz UNXUOUJWLYYLCL-SECBINFHSA-N -1 1 388.823 0.395 20 0 GCADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1cnn(C)c1Cl ZINC001571291010 946061989 /nfs/dbraw/zinc/06/19/89/946061989.db2.gz XXSSNZKSOWQPAE-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1cnn(C)c1Cl ZINC001571291010 946061998 /nfs/dbraw/zinc/06/19/98/946061998.db2.gz XXSSNZKSOWQPAE-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM Cn1cc(Cl)c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571290980 946064041 /nfs/dbraw/zinc/06/40/41/946064041.db2.gz WPVYYKWUACJRAH-SECBINFHSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1cc(Cl)c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571290980 946064056 /nfs/dbraw/zinc/06/40/56/946064056.db2.gz WPVYYKWUACJRAH-SECBINFHSA-N -1 1 388.823 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573472363 946065727 /nfs/dbraw/zinc/06/57/27/946065727.db2.gz VTHUKRDKODESPH-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573472363 946065749 /nfs/dbraw/zinc/06/57/49/946065749.db2.gz VTHUKRDKODESPH-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 ZINC001571291049 946066250 /nfs/dbraw/zinc/06/62/50/946066250.db2.gz ZJGCNRWYUSRQKV-NSHDSACASA-N -1 1 388.823 0.244 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571291041 946066492 /nfs/dbraw/zinc/06/64/92/946066492.db2.gz ZBJRSRQKXLRVQA-KYZUINATSA-N -1 1 388.823 0.384 20 0 GCADMM Cn1c(Cl)ncc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571291029 946067037 /nfs/dbraw/zinc/06/70/37/946067037.db2.gz YKNZJJAJLPTYKN-SECBINFHSA-N -1 1 388.823 0.182 20 0 GCADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c1 ZINC001571291188 946073084 /nfs/dbraw/zinc/07/30/84/946073084.db2.gz FSWPJROEDQZOGF-ZDUSSCGKSA-N -1 1 389.393 0.692 20 0 GCADMM Cc1ccn2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)nc2c1 ZINC000822374287 946074213 /nfs/dbraw/zinc/07/42/13/946074213.db2.gz PNDOMQRDAKAZJX-UHFFFAOYSA-N -1 1 380.416 0.833 20 0 GCADMM Cc1ccn2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)nc2c1 ZINC000822374287 946074220 /nfs/dbraw/zinc/07/42/20/946074220.db2.gz PNDOMQRDAKAZJX-UHFFFAOYSA-N -1 1 380.416 0.833 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573473489 946079698 /nfs/dbraw/zinc/07/96/98/946079698.db2.gz DMRFFLXAQXVOKO-CMPLNLGQSA-N -1 1 392.489 0.949 20 0 GCADMM CNS(=O)(=O)c1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1 ZINC001571291650 946081927 /nfs/dbraw/zinc/08/19/27/946081927.db2.gz NVLCZENQMLNESF-UHFFFAOYSA-N -1 1 389.397 0.436 20 0 GCADMM O=C(N[C@@H]1COC[C@@H]1O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001571292057 946089280 /nfs/dbraw/zinc/08/92/80/946089280.db2.gz UBYNOBFUBHQKRH-QUINOFQRSA-N -1 1 389.416 0.011 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571293250 946098219 /nfs/dbraw/zinc/09/82/19/946098219.db2.gz CFOFVPUHIWCPOH-IHRRRGAJSA-N -1 1 389.423 0.256 20 0 GCADMM O=C([C@H]1Cc2cccnc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571293250 946098230 /nfs/dbraw/zinc/09/82/30/946098230.db2.gz CFOFVPUHIWCPOH-IHRRRGAJSA-N -1 1 389.423 0.256 20 0 GCADMM Cc1nnc(CC(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)[C@H]2C)o1 ZINC001571293220 946099382 /nfs/dbraw/zinc/09/93/82/946099382.db2.gz BOGXZSKTBCUASS-PSASIEDQSA-N -1 1 389.445 0.967 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573475227 946101279 /nfs/dbraw/zinc/10/12/79/946101279.db2.gz RRAKDYFEASDYCK-MDZLAQPJSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573475227 946101283 /nfs/dbraw/zinc/10/12/83/946101283.db2.gz RRAKDYFEASDYCK-MDZLAQPJSA-N -1 1 387.448 0.220 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@H]1Cc2cccnc2C1 ZINC001571293465 946106415 /nfs/dbraw/zinc/10/64/15/946106415.db2.gz JAXPNOXVTAYCRO-APNQJHFZSA-N -1 1 389.423 0.018 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@H]1Cc2cccnc2C1 ZINC001571293465 946106425 /nfs/dbraw/zinc/10/64/25/946106425.db2.gz JAXPNOXVTAYCRO-APNQJHFZSA-N -1 1 389.423 0.018 20 0 GCADMM C[C@H](Cc1ccsc1)N(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571293639 946110309 /nfs/dbraw/zinc/11/03/09/946110309.db2.gz NUKHUMHWVHDNIH-SNVBAGLBSA-N -1 1 389.441 0.670 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573476215 946115730 /nfs/dbraw/zinc/11/57/30/946115730.db2.gz DVLKIKCNMZSGQI-RNFRBKRXSA-N -1 1 386.869 0.442 20 0 GCADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571293787 946116006 /nfs/dbraw/zinc/11/60/06/946116006.db2.gz RQJMTOZVCFYJQD-ZQDZILKHSA-N -1 1 389.423 0.645 20 0 GCADMM Cc1nsc(N(C)C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1-c1nnn[n-]1 ZINC000822530648 946116530 /nfs/dbraw/zinc/11/65/30/946116530.db2.gz KUUFCHRUANEXCK-UWVGGRQHSA-N -1 1 389.441 0.770 20 0 GCADMM Cc1nsc(N(C)C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1-c1nn[n-]n1 ZINC000822530648 946116539 /nfs/dbraw/zinc/11/65/39/946116539.db2.gz KUUFCHRUANEXCK-UWVGGRQHSA-N -1 1 389.441 0.770 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573476374 946119560 /nfs/dbraw/zinc/11/95/60/946119560.db2.gz GBIQVRSWMQDBKW-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573476572 946120525 /nfs/dbraw/zinc/12/05/25/946120525.db2.gz HZTWIGUKTGHGJW-SVRRBLITSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573476572 946120531 /nfs/dbraw/zinc/12/05/31/946120531.db2.gz HZTWIGUKTGHGJW-SVRRBLITSA-N -1 1 384.853 0.196 20 0 GCADMM CCCc1cc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)sc1C ZINC001571293998 946123158 /nfs/dbraw/zinc/12/31/58/946123158.db2.gz XRYLDUNGFCZPTH-UHFFFAOYSA-N -1 1 389.441 0.881 20 0 GCADMM Cc1nnc(CC(=O)N2CCCN(c3snc(C)c3-c3nn[n-]n3)CC2)o1 ZINC001571294052 946123663 /nfs/dbraw/zinc/12/36/63/946123663.db2.gz YYYLIHXQAMHPAG-UHFFFAOYSA-N -1 1 389.445 0.604 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573476860 946126515 /nfs/dbraw/zinc/12/65/15/946126515.db2.gz KACZXBXMCQGNNB-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573476860 946126520 /nfs/dbraw/zinc/12/65/20/946126520.db2.gz KACZXBXMCQGNNB-NKWVEPMBSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573476904 946127516 /nfs/dbraw/zinc/12/75/16/946127516.db2.gz KUQDDXDVGGYVMG-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573476904 946127523 /nfs/dbraw/zinc/12/75/23/946127523.db2.gz KUQDDXDVGGYVMG-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3ccn(C(F)F)n3)C2)n1 ZINC001571294232 946130022 /nfs/dbraw/zinc/13/00/22/946130022.db2.gz BPCCDJJFDHXBPO-KYZUINATSA-N -1 1 390.358 0.930 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3ccn(C(F)F)n3)C2)n1 ZINC001571294232 946130027 /nfs/dbraw/zinc/13/00/27/946130027.db2.gz BPCCDJJFDHXBPO-KYZUINATSA-N -1 1 390.358 0.930 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573477464 946136858 /nfs/dbraw/zinc/13/68/58/946136858.db2.gz RAVZIBHPYHQUQB-NSHDSACASA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573477464 946136859 /nfs/dbraw/zinc/13/68/59/946136859.db2.gz RAVZIBHPYHQUQB-NSHDSACASA-N -1 1 387.448 0.331 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)n1 ZINC000822609818 946138034 /nfs/dbraw/zinc/13/80/34/946138034.db2.gz VZMPRXRYUZAJAE-LBPRGKRZSA-N -1 1 385.388 0.506 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)n1 ZINC000822609818 946138041 /nfs/dbraw/zinc/13/80/41/946138041.db2.gz VZMPRXRYUZAJAE-LBPRGKRZSA-N -1 1 385.388 0.506 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000822610019 946138456 /nfs/dbraw/zinc/13/84/56/946138456.db2.gz ZEARYQAFLRDXCH-UHFFFAOYSA-N -1 1 395.427 0.519 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000822610019 946138461 /nfs/dbraw/zinc/13/84/61/946138461.db2.gz ZEARYQAFLRDXCH-UHFFFAOYSA-N -1 1 395.427 0.519 20 0 GCADMM CN(C(=O)c1ccn(C(F)F)n1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571294659 946140855 /nfs/dbraw/zinc/14/08/55/946140855.db2.gz KWRBNMBLEJVXOG-VIFPVBQESA-N -1 1 390.358 0.599 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573477619 946140844 /nfs/dbraw/zinc/14/08/44/946140844.db2.gz SWTGSKPPPWTEIH-BQBZGAKWSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573477619 946140848 /nfs/dbraw/zinc/14/08/48/946140848.db2.gz SWTGSKPPPWTEIH-BQBZGAKWSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573477788 946141755 /nfs/dbraw/zinc/14/17/55/946141755.db2.gz UDHMLDOCKDVLTF-BXKDBHETSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573477788 946141757 /nfs/dbraw/zinc/14/17/57/946141757.db2.gz UDHMLDOCKDVLTF-BXKDBHETSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@]1(NC(=O)c2cc(C(F)F)n[nH]2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294923 946147330 /nfs/dbraw/zinc/14/73/30/946147330.db2.gz PWSKZPLHFIGJBK-HNNXBMFYSA-N -1 1 390.358 0.716 20 0 GCADMM C[C@]1(NC(=O)c2cc(C(F)F)n[nH]2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294923 946147337 /nfs/dbraw/zinc/14/73/37/946147337.db2.gz PWSKZPLHFIGJBK-HNNXBMFYSA-N -1 1 390.358 0.716 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC001571294909 946147389 /nfs/dbraw/zinc/14/73/89/946147389.db2.gz MKFBNOYKTDPLEZ-YPMHNXCESA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC001571294909 946147395 /nfs/dbraw/zinc/14/73/95/946147395.db2.gz MKFBNOYKTDPLEZ-YPMHNXCESA-N -1 1 389.464 0.704 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1cc(C(F)F)n[nH]1 ZINC001571294902 946147424 /nfs/dbraw/zinc/14/74/24/946147424.db2.gz PPTCQNDGCGMBJW-RDDDGLTNSA-N -1 1 390.358 0.572 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1cc(C(F)F)n[nH]1 ZINC001571294902 946147430 /nfs/dbraw/zinc/14/74/30/946147430.db2.gz PPTCQNDGCGMBJW-RDDDGLTNSA-N -1 1 390.358 0.572 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573478770 946150878 /nfs/dbraw/zinc/15/08/78/946150878.db2.gz YJAHJUAEAHBHFV-RQJHMYQMSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573478770 946150882 /nfs/dbraw/zinc/15/08/82/946150882.db2.gz YJAHJUAEAHBHFV-RQJHMYQMSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573478819 946151851 /nfs/dbraw/zinc/15/18/51/946151851.db2.gz YWAWKAJKYMRNBP-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573478819 946151854 /nfs/dbraw/zinc/15/18/54/946151854.db2.gz YWAWKAJKYMRNBP-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573478944 946152363 /nfs/dbraw/zinc/15/23/63/946152363.db2.gz ZHIMJYVWTBDEPU-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573478944 946152371 /nfs/dbraw/zinc/15/23/71/946152371.db2.gz ZHIMJYVWTBDEPU-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573478814 946152868 /nfs/dbraw/zinc/15/28/68/946152868.db2.gz YWAWKAJKYMRNBP-BQBZGAKWSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573478814 946152876 /nfs/dbraw/zinc/15/28/76/946152876.db2.gz YWAWKAJKYMRNBP-BQBZGAKWSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573479251 946156620 /nfs/dbraw/zinc/15/66/20/946156620.db2.gz BCRKHIRBGJPMRV-LURJTMIESA-N -1 1 384.853 0.562 20 0 GCADMM O=C(c1ncccn1)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571295338 946161927 /nfs/dbraw/zinc/16/19/27/946161927.db2.gz YERKWMAAWKPQGJ-YUMQZZPRSA-N -1 1 389.832 0.870 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573479503 946162061 /nfs/dbraw/zinc/16/20/61/946162061.db2.gz DQMJIVFAVJCDDU-NSHDSACASA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573479503 946162069 /nfs/dbraw/zinc/16/20/69/946162069.db2.gz DQMJIVFAVJCDDU-NSHDSACASA-N -1 1 387.448 0.331 20 0 GCADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3cn[nH]n3)CCCO2)c1-c1nn[n-]n1 ZINC001571295636 946168297 /nfs/dbraw/zinc/16/82/97/946168297.db2.gz AAWOAXWFSMMELV-SECBINFHSA-N -1 1 390.433 0.093 20 0 GCADMM C[C@@H]1CCCC[C@H]1CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571295877 946176013 /nfs/dbraw/zinc/17/60/13/946176013.db2.gz IKXIPUMZGIALKZ-NEPJUHHUSA-N -1 1 390.448 0.645 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC001571295832 946176813 /nfs/dbraw/zinc/17/68/13/946176813.db2.gz HCTLUQOMTZBBIM-QGZVFWFLSA-N -1 1 390.400 0.506 20 0 GCADMM O=C(Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)c1ccc(-c2nnn[n-]2)s1 ZINC001571295817 946176845 /nfs/dbraw/zinc/17/68/45/946176845.db2.gz GONZJCJBALEGCX-UHFFFAOYSA-N -1 1 390.406 0.906 20 0 GCADMM O=C(Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)c1ccc(-c2nn[n-]n2)s1 ZINC001571295817 946176850 /nfs/dbraw/zinc/17/68/50/946176850.db2.gz GONZJCJBALEGCX-UHFFFAOYSA-N -1 1 390.406 0.906 20 0 GCADMM C[C@H]1CCCC[C@@H]1CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571295878 946177265 /nfs/dbraw/zinc/17/72/65/946177265.db2.gz IKXIPUMZGIALKZ-NWDGAFQWSA-N -1 1 390.448 0.645 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573480689 946177718 /nfs/dbraw/zinc/17/77/18/946177718.db2.gz LXIHLCSVPYUTDX-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573480689 946177725 /nfs/dbraw/zinc/17/77/25/946177725.db2.gz LXIHLCSVPYUTDX-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571295913 946180159 /nfs/dbraw/zinc/18/01/59/946180159.db2.gz JCVXQRUQOAYHME-ILMHXZGMSA-N -1 1 390.423 0.289 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571295913 946180169 /nfs/dbraw/zinc/18/01/69/946180169.db2.gz JCVXQRUQOAYHME-ILMHXZGMSA-N -1 1 390.423 0.289 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573481058 946180883 /nfs/dbraw/zinc/18/08/83/946180883.db2.gz NQOJHVITWFISBO-YPMHNXCESA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573481058 946180887 /nfs/dbraw/zinc/18/08/87/946180887.db2.gz NQOJHVITWFISBO-YPMHNXCESA-N -1 1 387.448 0.047 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571296067 946184659 /nfs/dbraw/zinc/18/46/59/946184659.db2.gz MQZDCWXCYVTKLO-PXAZEXFGSA-N -1 1 390.423 0.460 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571296067 946184665 /nfs/dbraw/zinc/18/46/65/946184665.db2.gz MQZDCWXCYVTKLO-PXAZEXFGSA-N -1 1 390.423 0.460 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573481857 946187635 /nfs/dbraw/zinc/18/76/35/946187635.db2.gz SDSCADLXJMZGKU-GXSJLCMTSA-N -1 1 378.462 0.099 20 0 GCADMM O=C(N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)[C@]1(F)CCOC1 ZINC001571296154 946187908 /nfs/dbraw/zinc/18/79/08/946187908.db2.gz PFMDRSACNDKVDB-PXAZEXFGSA-N -1 1 390.423 0.826 20 0 GCADMM O=C(N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)[C@]1(F)CCOC1 ZINC001571296154 946187920 /nfs/dbraw/zinc/18/79/20/946187920.db2.gz PFMDRSACNDKVDB-PXAZEXFGSA-N -1 1 390.423 0.826 20 0 GCADMM O=C(N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCOCC1 ZINC001571296203 946188191 /nfs/dbraw/zinc/18/81/91/946188191.db2.gz QKKQKLKIRQKVJR-GFCCVEGCSA-N -1 1 390.423 0.248 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccc(F)s1 ZINC001571296342 946191432 /nfs/dbraw/zinc/19/14/32/946191432.db2.gz VGGPWRUMSILRST-RKDXNWHRSA-N -1 1 390.404 0.227 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571296464 946196210 /nfs/dbraw/zinc/19/62/10/946196210.db2.gz YQLIQSQLPLXDSE-SJORKVTESA-N -1 1 390.423 0.744 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571296464 946196215 /nfs/dbraw/zinc/19/62/15/946196215.db2.gz YQLIQSQLPLXDSE-SJORKVTESA-N -1 1 390.423 0.744 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571296463 946197570 /nfs/dbraw/zinc/19/75/70/946197570.db2.gz YQLIQSQLPLXDSE-IRXDYDNUSA-N -1 1 390.423 0.744 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571296463 946197582 /nfs/dbraw/zinc/19/75/82/946197582.db2.gz YQLIQSQLPLXDSE-IRXDYDNUSA-N -1 1 390.423 0.744 20 0 GCADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)[C@H]3CCCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571297885 946198582 /nfs/dbraw/zinc/19/85/82/946198582.db2.gz CBEAWFKGVRLKPV-GHMZBOCLSA-N -1 1 390.473 0.337 20 0 GCADMM CS[C@@H](C)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571297996 946204205 /nfs/dbraw/zinc/20/42/05/946204205.db2.gz GOHDQWZMDHTEOJ-MEDUHNTESA-N -1 1 390.473 0.216 20 0 GCADMM CS[C@@H](C)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571297996 946204212 /nfs/dbraw/zinc/20/42/12/946204212.db2.gz GOHDQWZMDHTEOJ-MEDUHNTESA-N -1 1 390.473 0.216 20 0 GCADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[C@H]3CCNC3=O)C2)c1-c1nn[n-]n1 ZINC001571298105 946206858 /nfs/dbraw/zinc/20/68/58/946206858.db2.gz JPYFKMHFOYKNNR-FBIMIBRVSA-N -1 1 390.473 0.099 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571298103 946207210 /nfs/dbraw/zinc/20/72/10/946207210.db2.gz JOJNFGIADARQHE-VWYCJHECSA-N -1 1 390.473 0.384 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)C[C@@H]3CCCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571298252 946210926 /nfs/dbraw/zinc/21/09/26/946210926.db2.gz LGRDPSNYNGQWSL-WDEREUQCSA-N -1 1 390.473 0.385 20 0 GCADMM O=C([C@@H]1CCOC1)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571298419 946217268 /nfs/dbraw/zinc/21/72/68/946217268.db2.gz NLNBGUONTAUZIK-GFCCVEGCSA-N -1 1 390.469 0.378 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nn[n-]n1 ZINC001573484476 946217525 /nfs/dbraw/zinc/21/75/25/946217525.db2.gz MEMZQBWQUDBOTB-GMNPVEAJSA-N -1 1 390.473 0.382 20 0 GCADMM O=C(NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)o1 ZINC001571298513 946219129 /nfs/dbraw/zinc/21/91/29/946219129.db2.gz AAHUSNQCRDMDCY-VIFPVBQESA-N -1 1 390.791 0.538 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573485397 946224249 /nfs/dbraw/zinc/22/42/49/946224249.db2.gz SAHUHLJMNTXFCP-RAIGVLPGSA-N -1 1 387.448 0.329 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573485397 946224265 /nfs/dbraw/zinc/22/42/65/946224265.db2.gz SAHUHLJMNTXFCP-RAIGVLPGSA-N -1 1 387.448 0.329 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1occc1Cl ZINC001571298801 946229077 /nfs/dbraw/zinc/22/90/77/946229077.db2.gz DREVYFPUKITMJK-GXSJLCMTSA-N -1 1 390.791 0.273 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1occc1Cl ZINC001571298801 946229081 /nfs/dbraw/zinc/22/90/81/946229081.db2.gz DREVYFPUKITMJK-GXSJLCMTSA-N -1 1 390.791 0.273 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001571298878 946233060 /nfs/dbraw/zinc/23/30/60/946233060.db2.gz LKTAXLQYSVRVMC-CXAGYDPISA-N -1 1 390.448 0.093 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001571298878 946233071 /nfs/dbraw/zinc/23/30/71/946233071.db2.gz LKTAXLQYSVRVMC-CXAGYDPISA-N -1 1 390.448 0.093 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001571299066 946237520 /nfs/dbraw/zinc/23/75/20/946237520.db2.gz UEOTVBQBTRGXLW-GXFFZTMASA-N -1 1 390.469 0.676 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573486378 946241200 /nfs/dbraw/zinc/24/12/00/946241200.db2.gz DXKDACXYPSGONH-RISCZKNCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573486378 946241206 /nfs/dbraw/zinc/24/12/06/946241206.db2.gz DXKDACXYPSGONH-RISCZKNCSA-N -1 1 389.464 0.514 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)c1-c1nn[n-]n1 ZINC001571299172 946241433 /nfs/dbraw/zinc/24/14/33/946241433.db2.gz URXDCQULWXRRMM-MNOVXSKESA-N -1 1 390.473 0.655 20 0 GCADMM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1=COCCC1 ZINC001571299259 946243324 /nfs/dbraw/zinc/24/33/24/946243324.db2.gz VHUWMQKKSJMIMT-ZDUSSCGKSA-N -1 1 390.469 0.940 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573487684 946255657 /nfs/dbraw/zinc/25/56/57/946255657.db2.gz RLCBICQCHVXZRY-DLOVCJGASA-N -1 1 392.489 0.996 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001573487760 946259350 /nfs/dbraw/zinc/25/93/50/946259350.db2.gz SSGROFGYLXNXAO-ZDUSSCGKSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001573487760 946259362 /nfs/dbraw/zinc/25/93/62/946259362.db2.gz SSGROFGYLXNXAO-ZDUSSCGKSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573487951 946260710 /nfs/dbraw/zinc/26/07/10/946260710.db2.gz VQQZJWGPWTVKAH-ZDUSSCGKSA-N -1 1 389.464 0.468 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573487951 946260721 /nfs/dbraw/zinc/26/07/21/946260721.db2.gz VQQZJWGPWTVKAH-ZDUSSCGKSA-N -1 1 389.464 0.468 20 0 GCADMM CO[C@@H](C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001571299816 946261379 /nfs/dbraw/zinc/26/13/79/946261379.db2.gz VMHKCVLCXJPMNF-IUODEOHRSA-N -1 1 390.448 0.357 20 0 GCADMM CO[C@@H](C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001571299816 946261387 /nfs/dbraw/zinc/26/13/87/946261387.db2.gz VMHKCVLCXJPMNF-IUODEOHRSA-N -1 1 390.448 0.357 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573488121 946264943 /nfs/dbraw/zinc/26/49/43/946264943.db2.gz YMRHRGYAIMQZLY-RAIGVLPGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573488121 946264952 /nfs/dbraw/zinc/26/49/52/946264952.db2.gz YMRHRGYAIMQZLY-RAIGVLPGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488692 946271896 /nfs/dbraw/zinc/27/18/96/946271896.db2.gz ITGVXBQBWUELFL-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488692 946271906 /nfs/dbraw/zinc/27/19/06/946271906.db2.gz ITGVXBQBWUELFL-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488666 946272485 /nfs/dbraw/zinc/27/24/85/946272485.db2.gz HZEMYBVFAOBCPT-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1occc1Cl ZINC001571300117 946273088 /nfs/dbraw/zinc/27/30/88/946273088.db2.gz VJDSNFRFMBKMIG-SECBINFHSA-N -1 1 390.791 0.538 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1occc1Cl ZINC001571300117 946273098 /nfs/dbraw/zinc/27/30/98/946273098.db2.gz VJDSNFRFMBKMIG-SECBINFHSA-N -1 1 390.791 0.538 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001573488751 946274715 /nfs/dbraw/zinc/27/47/15/946274715.db2.gz LEPCMPYWYZDYKR-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001573488751 946274720 /nfs/dbraw/zinc/27/47/20/946274720.db2.gz LEPCMPYWYZDYKR-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001573488761 946275129 /nfs/dbraw/zinc/27/51/29/946275129.db2.gz LKZBEADCAZPAGR-TXEJJXNPSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001573488761 946275140 /nfs/dbraw/zinc/27/51/40/946275140.db2.gz LKZBEADCAZPAGR-TXEJJXNPSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001573488760 946275641 /nfs/dbraw/zinc/27/56/41/946275641.db2.gz LKZBEADCAZPAGR-HAQNSBGRSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001573488760 946275649 /nfs/dbraw/zinc/27/56/49/946275649.db2.gz LKZBEADCAZPAGR-HAQNSBGRSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573488717 946275825 /nfs/dbraw/zinc/27/58/25/946275825.db2.gz KEMQIFAABXGMNW-VIFPVBQESA-N -1 1 392.489 0.997 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001573488919 946280009 /nfs/dbraw/zinc/28/00/09/946280009.db2.gz PWQBVBDJLKDZGU-TXEJJXNPSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573488919 946280020 /nfs/dbraw/zinc/28/00/20/946280020.db2.gz PWQBVBDJLKDZGU-TXEJJXNPSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488862 946280094 /nfs/dbraw/zinc/28/00/94/946280094.db2.gz OJCRFPKXPKAFFM-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488862 946280105 /nfs/dbraw/zinc/28/01/05/946280105.db2.gz OJCRFPKXPKAFFM-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573489084 946285040 /nfs/dbraw/zinc/28/50/40/946285040.db2.gz XCKSASHAMZHVBJ-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573489084 946285047 /nfs/dbraw/zinc/28/50/47/946285047.db2.gz XCKSASHAMZHVBJ-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573489058 946285125 /nfs/dbraw/zinc/28/51/25/946285125.db2.gz VYMBJTFGZGIHKP-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573489058 946285134 /nfs/dbraw/zinc/28/51/34/946285134.db2.gz VYMBJTFGZGIHKP-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CCc2nc[nH]c(=O)c2C1 ZINC001571302316 946300715 /nfs/dbraw/zinc/30/07/15/946300715.db2.gz UQYMDMFNAQMCAM-UHFFFAOYSA-N -1 1 391.388 0.557 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCc2cccnc21 ZINC001571302622 946309273 /nfs/dbraw/zinc/30/92/73/946309273.db2.gz CWXXLIIKZOTBAC-KGLIPLIRSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCc2cccnc21 ZINC001571302622 946309284 /nfs/dbraw/zinc/30/92/84/946309284.db2.gz CWXXLIIKZOTBAC-KGLIPLIRSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCc2cccnc21 ZINC001571302652 946311563 /nfs/dbraw/zinc/31/15/63/946311563.db2.gz DOYRPBRDRJWFTR-KGLIPLIRSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2cccnc21 ZINC001571302652 946311576 /nfs/dbraw/zinc/31/15/76/946311576.db2.gz DOYRPBRDRJWFTR-KGLIPLIRSA-N -1 1 391.439 0.867 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571302718 946311947 /nfs/dbraw/zinc/31/19/47/946311947.db2.gz GNCDZCICTBCSJI-GASCZTMLSA-N -1 1 391.439 0.782 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571302718 946311958 /nfs/dbraw/zinc/31/19/58/946311958.db2.gz GNCDZCICTBCSJI-GASCZTMLSA-N -1 1 391.439 0.782 20 0 GCADMM O=C(Cc1cccnc1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571302875 946318891 /nfs/dbraw/zinc/31/88/91/946318891.db2.gz IDOFTERUIQFXDQ-CABCVRRESA-N -1 1 391.439 0.579 20 0 GCADMM O=C(Cc1cccnc1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571302875 946318903 /nfs/dbraw/zinc/31/89/03/946318903.db2.gz IDOFTERUIQFXDQ-CABCVRRESA-N -1 1 391.439 0.579 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571303113 946327236 /nfs/dbraw/zinc/32/72/36/946327236.db2.gz MABXHKJHXDLEFO-IBGZPJMESA-N -1 1 391.439 0.723 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571303113 946327246 /nfs/dbraw/zinc/32/72/46/946327246.db2.gz MABXHKJHXDLEFO-IBGZPJMESA-N -1 1 391.439 0.723 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cc2c([nH]1)CCCC2 ZINC001571303537 946338699 /nfs/dbraw/zinc/33/86/99/946338699.db2.gz SHRYWTFURXBMBB-PBKGOJFUSA-N -1 1 391.439 0.728 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cc2c([nH]1)CCCC2 ZINC001571303537 946338709 /nfs/dbraw/zinc/33/87/09/946338709.db2.gz SHRYWTFURXBMBB-PBKGOJFUSA-N -1 1 391.439 0.728 20 0 GCADMM Cc1cnccc1CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571303599 946341915 /nfs/dbraw/zinc/34/19/15/946341915.db2.gz UCYFSKUNNAMNPZ-GASCZTMLSA-N -1 1 391.439 0.497 20 0 GCADMM Cc1cnccc1CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571303599 946341926 /nfs/dbraw/zinc/34/19/26/946341926.db2.gz UCYFSKUNNAMNPZ-GASCZTMLSA-N -1 1 391.439 0.497 20 0 GCADMM O=C(c1cccnc1)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303765 946347499 /nfs/dbraw/zinc/34/74/99/946347499.db2.gz XIYBAXCKGGYWPB-LIRRHRJNSA-N -1 1 391.439 0.828 20 0 GCADMM CCc1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)nc1 ZINC001571303893 946349980 /nfs/dbraw/zinc/34/99/80/946349980.db2.gz SDGFQCUQFSPYPU-GJZGRUSLSA-N -1 1 391.439 0.646 20 0 GCADMM CCc1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)nc1 ZINC001571303893 946349981 /nfs/dbraw/zinc/34/99/81/946349981.db2.gz SDGFQCUQFSPYPU-GJZGRUSLSA-N -1 1 391.439 0.646 20 0 GCADMM O=C([C@H]1CCc2cccnc21)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571303942 946353427 /nfs/dbraw/zinc/35/34/27/946353427.db2.gz ZXZSPJKIDCNDQG-AWEZNQCLSA-N -1 1 391.439 0.820 20 0 GCADMM O=C([C@H]1CCc2cccnc21)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571303942 946353440 /nfs/dbraw/zinc/35/34/40/946353440.db2.gz ZXZSPJKIDCNDQG-AWEZNQCLSA-N -1 1 391.439 0.820 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001571305806 946374706 /nfs/dbraw/zinc/37/47/06/946374706.db2.gz KLCGBWBCELMQEZ-MBTKJCJQSA-N -1 1 391.848 0.424 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CSC[C@H]1C(=O)N(C)C(C)C ZINC001571305907 946377758 /nfs/dbraw/zinc/37/77/58/946377758.db2.gz DANCROVNMAGRKD-NSHDSACASA-N -1 1 391.457 0.658 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573501478 946379221 /nfs/dbraw/zinc/37/92/21/946379221.db2.gz PEBBCRUCYPIUPT-SVRRBLITSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573501478 946379236 /nfs/dbraw/zinc/37/92/36/946379236.db2.gz PEBBCRUCYPIUPT-SVRRBLITSA-N -1 1 384.853 0.372 20 0 GCADMM Cc1nc(Cl)sc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571306239 946395152 /nfs/dbraw/zinc/39/51/52/946395152.db2.gz QZRIRKBZFYVLGV-OCAPTIKFSA-N -1 1 391.848 0.870 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503843 946397919 /nfs/dbraw/zinc/39/79/19/946397919.db2.gz CIMGTQAMJHXHIM-KCJUWKMLSA-N -1 1 378.462 0.417 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503841 946398701 /nfs/dbraw/zinc/39/87/01/946398701.db2.gz CIMGTQAMJHXHIM-GZMMTYOYSA-N -1 1 378.462 0.417 20 0 GCADMM Cc1nsc(N2C[C@@H]3CCN(C(=O)[C@H]4COCCO4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571306997 946414882 /nfs/dbraw/zinc/41/48/82/946414882.db2.gz SSYFCXWXXVNORO-QJPTWQEYSA-N -1 1 391.457 0.084 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1snc(C)c1-c1nn[n-]n1 ZINC001573506769 946436685 /nfs/dbraw/zinc/43/66/85/946436685.db2.gz TUGBHWUGPDHVOV-TXEJJXNPSA-N -1 1 390.473 0.337 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000823478931 946436841 /nfs/dbraw/zinc/43/68/41/946436841.db2.gz XENVUXCFCULWBE-UHFFFAOYSA-N -1 1 376.442 0.835 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000823478931 946436848 /nfs/dbraw/zinc/43/68/48/946436848.db2.gz XENVUXCFCULWBE-UHFFFAOYSA-N -1 1 376.442 0.835 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCc2ccccc2O1 ZINC001571309719 946451265 /nfs/dbraw/zinc/45/12/65/946451265.db2.gz INOCOAKLMKZEBA-CZUORRHYSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2ccccc2O1 ZINC001571309719 946451274 /nfs/dbraw/zinc/45/12/74/946451274.db2.gz INOCOAKLMKZEBA-CZUORRHYSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@H]1Cc2ccccc2O1 ZINC001571309877 946455639 /nfs/dbraw/zinc/45/56/39/946455639.db2.gz NUQINITZUCZENI-UKRRQHHQSA-N -1 1 392.423 0.745 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573508965 946456435 /nfs/dbraw/zinc/45/64/35/946456435.db2.gz CSTDJZVETSBREV-SMDDNHRTSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573508965 946456443 /nfs/dbraw/zinc/45/64/43/946456443.db2.gz CSTDJZVETSBREV-SMDDNHRTSA-N -1 1 387.448 0.283 20 0 GCADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc2c(c1)CCO2 ZINC001571309940 946457103 /nfs/dbraw/zinc/45/71/03/946457103.db2.gz PXWWOPCIZZVENR-GFCCVEGCSA-N -1 1 392.423 0.848 20 0 GCADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc2c(c1)CCO2 ZINC001571309940 946457110 /nfs/dbraw/zinc/45/71/10/946457110.db2.gz PXWWOPCIZZVENR-GFCCVEGCSA-N -1 1 392.423 0.848 20 0 GCADMM O=C([C@H]1Cc2ccccc21)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310215 946465844 /nfs/dbraw/zinc/46/58/44/946465844.db2.gz YPLJXKQPEZBGGB-HIFRSBDPSA-N -1 1 392.423 0.636 20 0 GCADMM O=C([C@H]1Cc2ccccc21)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310215 946465853 /nfs/dbraw/zinc/46/58/53/946465853.db2.gz YPLJXKQPEZBGGB-HIFRSBDPSA-N -1 1 392.423 0.636 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573509894 946466685 /nfs/dbraw/zinc/46/66/85/946466685.db2.gz UIWKOHCESFQRHW-CYBMUJFWSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573509894 946466691 /nfs/dbraw/zinc/46/66/91/946466691.db2.gz UIWKOHCESFQRHW-CYBMUJFWSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)NCC(=O)N1CCCCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573510018 946468821 /nfs/dbraw/zinc/46/88/21/946468821.db2.gz WDAUGSNKOAZABI-CYBMUJFWSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)NCC(=O)N1CCCCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573510018 946468838 /nfs/dbraw/zinc/46/88/38/946468838.db2.gz WDAUGSNKOAZABI-CYBMUJFWSA-N -1 1 387.448 0.284 20 0 GCADMM O=C(c1ncccn1)N1CCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571310338 946469245 /nfs/dbraw/zinc/46/92/45/946469245.db2.gz BXNGHRPEIWKYEM-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ncccn1)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310374 946470436 /nfs/dbraw/zinc/47/04/36/946470436.db2.gz DHZGJJNLXNRHOV-SGTLLEGYSA-N -1 1 392.427 0.801 20 0 GCADMM O=C(c1ncccn1)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310374 946470445 /nfs/dbraw/zinc/47/04/45/946470445.db2.gz DHZGJJNLXNRHOV-SGTLLEGYSA-N -1 1 392.427 0.801 20 0 GCADMM Cc1nsc(N2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571310523 946475353 /nfs/dbraw/zinc/47/53/53/946475353.db2.gz IOVDVGWELGZRDX-ZJUUUORDSA-N -1 1 392.445 0.215 20 0 GCADMM Cc1nsc(N2CCC(C)(NC(=O)[C@H]3COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571310790 946478976 /nfs/dbraw/zinc/47/89/76/946478976.db2.gz NCPLRRLEZSMLBM-SECBINFHSA-N -1 1 392.445 0.215 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571310862 946479026 /nfs/dbraw/zinc/47/90/26/946479026.db2.gz OMJKTYDSEVLMQH-GXTWGEPZSA-N -1 1 392.439 0.441 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573510775 946482252 /nfs/dbraw/zinc/48/22/52/946482252.db2.gz KVLQAKJWBNPDTR-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573510775 946482257 /nfs/dbraw/zinc/48/22/57/946482257.db2.gz KVLQAKJWBNPDTR-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1snc(C)c1-c1nn[n-]n1)C1CCCC1 ZINC001573511136 946483628 /nfs/dbraw/zinc/48/36/28/946483628.db2.gz NDLSGTFJPCTJQC-LBPRGKRZSA-N -1 1 392.489 0.855 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571311275 946485684 /nfs/dbraw/zinc/48/56/84/946485684.db2.gz VFFNYYGANUWDJR-QWRGUYRKSA-N -1 1 392.427 0.362 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571311275 946485691 /nfs/dbraw/zinc/48/56/91/946485691.db2.gz VFFNYYGANUWDJR-QWRGUYRKSA-N -1 1 392.427 0.362 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)ncn1 ZINC001571312404 946491319 /nfs/dbraw/zinc/49/13/19/946491319.db2.gz BXIYSUFLSBMJOQ-OLZOCXBDSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571312474 946493738 /nfs/dbraw/zinc/49/37/38/946493738.db2.gz FDLPSNXNQYWJCQ-HUUCEWRRSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571312474 946493748 /nfs/dbraw/zinc/49/37/48/946493748.db2.gz FDLPSNXNQYWJCQ-HUUCEWRRSA-N -1 1 392.427 0.639 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573512187 946495098 /nfs/dbraw/zinc/49/50/98/946495098.db2.gz VNYGRAFQTLCVAV-GFCCVEGCSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573512187 946495103 /nfs/dbraw/zinc/49/51/03/946495103.db2.gz VNYGRAFQTLCVAV-GFCCVEGCSA-N -1 1 375.437 0.044 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571312546 946496002 /nfs/dbraw/zinc/49/60/02/946496002.db2.gz HGCFPYKSCAKQLO-KBPBESRZSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571312546 946496010 /nfs/dbraw/zinc/49/60/10/946496010.db2.gz HGCFPYKSCAKQLO-KBPBESRZSA-N -1 1 392.427 0.908 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573512173 946496751 /nfs/dbraw/zinc/49/67/51/946496751.db2.gz VGOCTWWLFAUSQP-NKWVEPMBSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573512173 946496762 /nfs/dbraw/zinc/49/67/62/946496762.db2.gz VGOCTWWLFAUSQP-NKWVEPMBSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1snc(C)c1-c1nn[n-]n1)C2 ZINC001573512756 946502419 /nfs/dbraw/zinc/50/24/19/946502419.db2.gz HKJVTCBPUZLFSF-TUAOUCFPSA-N -1 1 390.473 0.241 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001573512669 946503417 /nfs/dbraw/zinc/50/34/17/946503417.db2.gz ZIIUTAVRRBJOAG-CQSZACIVSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001573512669 946503431 /nfs/dbraw/zinc/50/34/31/946503431.db2.gz ZIIUTAVRRBJOAG-CQSZACIVSA-N -1 1 387.448 0.270 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571312909 946505366 /nfs/dbraw/zinc/50/53/66/946505366.db2.gz LXRAKODNWMBMAF-IUODEOHRSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571312909 946505372 /nfs/dbraw/zinc/50/53/72/946505372.db2.gz LXRAKODNWMBMAF-IUODEOHRSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(NC(=O)c4ccnnc4)CCC[C@@H]23)n1 ZINC001571313092 946510337 /nfs/dbraw/zinc/51/03/37/946510337.db2.gz NLPXNILKWXVGCK-KDOFPFPSSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(NC(=O)c4ccnnc4)CCC[C@@H]23)n1 ZINC001571313092 946510349 /nfs/dbraw/zinc/51/03/49/946510349.db2.gz NLPXNILKWXVGCK-KDOFPFPSSA-N -1 1 392.427 0.687 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573513354 946510757 /nfs/dbraw/zinc/51/07/57/946510757.db2.gz MVCJLGSHUXHCNK-GHMZBOCLSA-N -1 1 378.462 0.465 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)cnn1 ZINC001571313335 946517336 /nfs/dbraw/zinc/51/73/36/946517336.db2.gz PYPDEEOUWXDYHP-CQSZACIVSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)cnn1 ZINC001571313335 946517339 /nfs/dbraw/zinc/51/73/39/946517339.db2.gz PYPDEEOUWXDYHP-CQSZACIVSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)ncn1 ZINC001571313325 946518506 /nfs/dbraw/zinc/51/85/06/946518506.db2.gz PVGFZSSROYMKQB-BETUJISGSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)ncn1 ZINC001571313325 946518510 /nfs/dbraw/zinc/51/85/10/946518510.db2.gz PVGFZSSROYMKQB-BETUJISGSA-N -1 1 392.427 0.639 20 0 GCADMM CC(=O)NCC(=O)NC1(CNc2snc(C)c2-c2nn[n-]n2)CCCCC1 ZINC001573514387 946527932 /nfs/dbraw/zinc/52/79/32/946527932.db2.gz YEDWMCAAHQZHTI-UHFFFAOYSA-N -1 1 392.489 0.999 20 0 GCADMM O=C(c1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571313691 946530354 /nfs/dbraw/zinc/53/03/54/946530354.db2.gz VMEYJNGDKQOEMW-IBGZPJMESA-N -1 1 392.423 0.778 20 0 GCADMM O=C(c1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571313691 946530359 /nfs/dbraw/zinc/53/03/59/946530359.db2.gz VMEYJNGDKQOEMW-IBGZPJMESA-N -1 1 392.423 0.778 20 0 GCADMM CC(=O)NCC(=O)NC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573514783 946532643 /nfs/dbraw/zinc/53/26/43/946532643.db2.gz DBBQNPLCMKZQFD-UHFFFAOYSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573514783 946532652 /nfs/dbraw/zinc/53/26/52/946532652.db2.gz DBBQNPLCMKZQFD-UHFFFAOYSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NC1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573514981 946538173 /nfs/dbraw/zinc/53/81/73/946538173.db2.gz GEUQMWIIVQPOQW-UHFFFAOYSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)C ZINC001573517333 946569261 /nfs/dbraw/zinc/56/92/61/946569261.db2.gz HMPLRCOVKBVODB-QMMMGPOBSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573517372 946571014 /nfs/dbraw/zinc/57/10/14/946571014.db2.gz ISSLLVOYDDJTIW-LBPRGKRZSA-N -1 1 392.489 0.633 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)C ZINC001573517577 946576879 /nfs/dbraw/zinc/57/68/79/946576879.db2.gz NPZYBJDNXZWXHO-MRVPVSSYSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)C ZINC001573517577 946576889 /nfs/dbraw/zinc/57/68/89/946576889.db2.gz NPZYBJDNXZWXHO-MRVPVSSYSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573518037 946584580 /nfs/dbraw/zinc/58/45/80/946584580.db2.gz WNFPIFFKDDPPMW-MRVPVSSYSA-N -1 1 384.853 0.055 20 0 GCADMM CS[C@H](C)C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001571317408 946609629 /nfs/dbraw/zinc/60/96/29/946609629.db2.gz GWNLNPTVIWFDHS-VXGBXAGGSA-N -1 1 392.489 0.198 20 0 GCADMM CS[C@H](C)C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001571317408 946609634 /nfs/dbraw/zinc/60/96/34/946609634.db2.gz GWNLNPTVIWFDHS-VXGBXAGGSA-N -1 1 392.489 0.198 20 0 GCADMM CC(=O)NCC(=O)NCc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001573521953 946617874 /nfs/dbraw/zinc/61/78/74/946617874.db2.gz QGLBLGGUAAABCB-UHFFFAOYSA-N -1 1 381.400 0.021 20 0 GCADMM CC(=O)NCC(=O)NCc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001573521953 946617888 /nfs/dbraw/zinc/61/78/88/946617888.db2.gz QGLBLGGUAAABCB-UHFFFAOYSA-N -1 1 381.400 0.021 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001573522131 946623128 /nfs/dbraw/zinc/62/31/28/946623128.db2.gz BGJRJDJFRIVGIA-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001573522131 946623133 /nfs/dbraw/zinc/62/31/33/946623133.db2.gz BGJRJDJFRIVGIA-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCOC1 ZINC001571317946 946623253 /nfs/dbraw/zinc/62/32/53/946623253.db2.gz ZTUSNWMUKZZNEI-OLZOCXBDSA-N -1 1 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387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCCOCC1 ZINC000825000802 947037045 /nfs/dbraw/zinc/03/70/45/947037045.db2.gz VINZIYRHJBWTHU-QWHCGFSZSA-N -1 1 387.448 0.446 20 0 GCADMM CCC(CC)C(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825094809 947074875 /nfs/dbraw/zinc/07/48/75/947074875.db2.gz CSUJKXAIWHYFCC-UHFFFAOYSA-N -1 1 375.433 0.813 20 0 GCADMM CCC(CC)C(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825094809 947074887 /nfs/dbraw/zinc/07/48/87/947074887.db2.gz CSUJKXAIWHYFCC-UHFFFAOYSA-N -1 1 375.433 0.813 20 0 GCADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825205974 947117062 /nfs/dbraw/zinc/11/70/62/947117062.db2.gz YGEMWQVXWPHWAK-DGCLKSJQSA-N -1 1 387.444 0.859 20 0 GCADMM CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825205974 947117075 /nfs/dbraw/zinc/11/70/75/947117075.db2.gz YGEMWQVXWPHWAK-DGCLKSJQSA-N -1 1 387.444 0.859 20 0 GCADMM CCCCNC(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825285215 947142877 /nfs/dbraw/zinc/14/28/77/947142877.db2.gz MWMNBOVAVHNLRV-UHFFFAOYSA-N -1 1 375.433 0.861 20 0 GCADMM CCCCNC(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825285215 947142881 /nfs/dbraw/zinc/14/28/81/947142881.db2.gz MWMNBOVAVHNLRV-UHFFFAOYSA-N -1 1 375.433 0.861 20 0 GCADMM CCCCNC(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825284976 947144163 /nfs/dbraw/zinc/14/41/63/947144163.db2.gz FSBPAHGIQKGJAP-NSHDSACASA-N -1 1 379.446 0.523 20 0 GCADMM CCCCNC(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825284976 947144170 /nfs/dbraw/zinc/14/41/70/947144170.db2.gz FSBPAHGIQKGJAP-NSHDSACASA-N -1 1 379.446 0.523 20 0 GCADMM CCCS(=O)(=O)N1CCC(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825341859 947158650 /nfs/dbraw/zinc/15/86/50/947158650.db2.gz LQAWZNAWIOCICR-UHFFFAOYSA-N -1 1 397.461 0.026 20 0 GCADMM CCCS(=O)(=O)N1CCC(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825341859 947158655 /nfs/dbraw/zinc/15/86/55/947158655.db2.gz LQAWZNAWIOCICR-UHFFFAOYSA-N -1 1 397.461 0.026 20 0 GCADMM CCN1CCN(C2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)C1=O ZINC000825458409 947196028 /nfs/dbraw/zinc/19/60/28/947196028.db2.gz CXRRZGTVYHTPFM-UHFFFAOYSA-N -1 1 388.432 0.454 20 0 GCADMM CCN1CCN(C2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)C1=O ZINC000825458409 947196038 /nfs/dbraw/zinc/19/60/38/947196038.db2.gz CXRRZGTVYHTPFM-UHFFFAOYSA-N -1 1 388.432 0.454 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N(C)Cc2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000825564598 947221938 /nfs/dbraw/zinc/22/19/38/947221938.db2.gz AVUZZEOXEIDYAG-UHFFFAOYSA-N -1 1 399.411 0.907 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)c2ccc3c(c2)NC(=O)CO3)c1-c1nn[n-]n1 ZINC000825571242 947233807 /nfs/dbraw/zinc/23/38/07/947233807.db2.gz WEZHFWSHFFIRRC-UHFFFAOYSA-N -1 1 397.351 0.454 20 0 GCADMM CCc1cc(N2CCC(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)ncn1 ZINC000825700425 947291925 /nfs/dbraw/zinc/29/19/25/947291925.db2.gz FHEDENYCZVVIMK-UHFFFAOYSA-N -1 1 397.443 0.843 20 0 GCADMM CCc1cc(N2CCC(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)ncn1 ZINC000825700425 947291931 /nfs/dbraw/zinc/29/19/31/947291931.db2.gz FHEDENYCZVVIMK-UHFFFAOYSA-N -1 1 397.443 0.843 20 0 GCADMM CCc1cc(N2CCC[C@@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)ncn1 ZINC000825700508 947292414 /nfs/dbraw/zinc/29/24/14/947292414.db2.gz IIKZQBAXZTYADH-CYBMUJFWSA-N -1 1 397.443 0.843 20 0 GCADMM CCc1cc(N2CCC[C@@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)ncn1 ZINC000825700508 947292424 /nfs/dbraw/zinc/29/24/24/947292424.db2.gz IIKZQBAXZTYADH-CYBMUJFWSA-N -1 1 397.443 0.843 20 0 GCADMM C=C/C(C)=C\CC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573317398 947297890 /nfs/dbraw/zinc/29/78/90/947297890.db2.gz OBYYDCPHFIRXDX-PQMHYQBVSA-N -1 1 384.444 0.627 20 0 GCADMM C=C/C(C)=C\CC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573317398 947297900 /nfs/dbraw/zinc/29/79/00/947297900.db2.gz OBYYDCPHFIRXDX-PQMHYQBVSA-N -1 1 384.444 0.627 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573591410 947308982 /nfs/dbraw/zinc/30/89/82/947308982.db2.gz BMMOHNKYOFBBRI-IUODEOHRSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573591410 947308996 /nfs/dbraw/zinc/30/89/96/947308996.db2.gz BMMOHNKYOFBBRI-IUODEOHRSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573591681 947317428 /nfs/dbraw/zinc/31/74/28/947317428.db2.gz DHLUMWLNOVQONO-NEPJUHHUSA-N -1 1 386.416 0.309 20 0 GCADMM C=C/C(C)=C\CC(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@@H]1O ZINC001573319124 947324046 /nfs/dbraw/zinc/32/40/46/947324046.db2.gz USNQWNNKFINJAQ-FGHOCRGKSA-N -1 1 384.444 0.407 20 0 GCADMM C=C/C(C)=C\CC(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@@H]1O ZINC001573319124 947324061 /nfs/dbraw/zinc/32/40/61/947324061.db2.gz USNQWNNKFINJAQ-FGHOCRGKSA-N -1 1 384.444 0.407 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573592065 947326391 /nfs/dbraw/zinc/32/63/91/947326391.db2.gz IKARBYGFOJIJAU-JSGCOSHPSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573592065 947326403 /nfs/dbraw/zinc/32/64/03/947326403.db2.gz IKARBYGFOJIJAU-JSGCOSHPSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573592613 947341131 /nfs/dbraw/zinc/34/11/31/947341131.db2.gz LESSSSBRBYNZJC-UWVGGRQHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573592613 947341146 /nfs/dbraw/zinc/34/11/46/947341146.db2.gz LESSSSBRBYNZJC-UWVGGRQHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573592634 947343192 /nfs/dbraw/zinc/34/31/92/947343192.db2.gz LJIRYEYOANJQSL-OCCSQVGLSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573592634 947343196 /nfs/dbraw/zinc/34/31/96/947343196.db2.gz LJIRYEYOANJQSL-OCCSQVGLSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573593506 947370162 /nfs/dbraw/zinc/37/01/62/947370162.db2.gz UINLEIPBASBGFN-NEPJUHHUSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573593991 947383128 /nfs/dbraw/zinc/38/31/28/947383128.db2.gz WMDLMIOKBTXYSC-VXGBXAGGSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573593991 947383138 /nfs/dbraw/zinc/38/31/38/947383138.db2.gz WMDLMIOKBTXYSC-VXGBXAGGSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573594574 947401524 /nfs/dbraw/zinc/40/15/24/947401524.db2.gz QRVCGUOBZWGRRI-MFKMUULPSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573594574 947401529 /nfs/dbraw/zinc/40/15/29/947401529.db2.gz QRVCGUOBZWGRRI-MFKMUULPSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573595052 947414964 /nfs/dbraw/zinc/41/49/64/947414964.db2.gz FHGZZIXDIYMHDS-OCCSQVGLSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573595052 947414968 /nfs/dbraw/zinc/41/49/68/947414968.db2.gz FHGZZIXDIYMHDS-OCCSQVGLSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573595192 947417428 /nfs/dbraw/zinc/41/74/28/947417428.db2.gz GEDVSFPAHLUDSK-ZJUUUORDSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573595192 947417432 /nfs/dbraw/zinc/41/74/32/947417432.db2.gz GEDVSFPAHLUDSK-ZJUUUORDSA-N -1 1 384.391 0.204 20 0 GCADMM COC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000826103452 947427977 /nfs/dbraw/zinc/42/79/77/947427977.db2.gz HFIIUKMPBASQOB-HNNXBMFYSA-N -1 1 386.368 0.745 20 0 GCADMM COC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000826103452 947427983 /nfs/dbraw/zinc/42/79/83/947427983.db2.gz HFIIUKMPBASQOB-HNNXBMFYSA-N -1 1 386.368 0.745 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573597425 947436466 /nfs/dbraw/zinc/43/64/66/947436466.db2.gz OGTFIURUGFDJHW-YPMHNXCESA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573597425 947436473 /nfs/dbraw/zinc/43/64/73/947436473.db2.gz OGTFIURUGFDJHW-YPMHNXCESA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573597429 947437322 /nfs/dbraw/zinc/43/73/22/947437322.db2.gz OHDJPIUSOLPCNF-JQWIXIFHSA-N -1 1 388.457 0.175 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573597427 947437745 /nfs/dbraw/zinc/43/77/45/947437745.db2.gz OHDJPIUSOLPCNF-CMPLNLGQSA-N -1 1 388.457 0.175 20 0 GCADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573598435 947442248 /nfs/dbraw/zinc/44/22/48/947442248.db2.gz QWMUGTHTEGJTDA-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573598435 947442250 /nfs/dbraw/zinc/44/22/50/947442250.db2.gz QWMUGTHTEGJTDA-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM COC(=O)[C@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)c2ccccc2O1 ZINC000826132649 947445859 /nfs/dbraw/zinc/44/58/59/947445859.db2.gz FTKRDLOFVRGCOP-CYBMUJFWSA-N -1 1 384.352 0.673 20 0 GCADMM COC(=O)[C@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)c2ccccc2O1 ZINC000826132649 947445869 /nfs/dbraw/zinc/44/58/69/947445869.db2.gz FTKRDLOFVRGCOP-CYBMUJFWSA-N -1 1 384.352 0.673 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573599183 947449068 /nfs/dbraw/zinc/44/90/68/947449068.db2.gz VICOOXPUGBRJCO-PWSUYJOCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573599183 947449075 /nfs/dbraw/zinc/44/90/75/947449075.db2.gz VICOOXPUGBRJCO-PWSUYJOCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573599209 947452822 /nfs/dbraw/zinc/45/28/22/947452822.db2.gz VUWUEUSXBBFDNI-AAEUAGOBSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573599209 947452828 /nfs/dbraw/zinc/45/28/28/947452828.db2.gz VUWUEUSXBBFDNI-AAEUAGOBSA-N -1 1 383.416 0.087 20 0 GCADMM CO[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000826145165 947462101 /nfs/dbraw/zinc/46/21/01/947462101.db2.gz ATADEHNBJVUOKM-LLVKDONJSA-N -1 1 390.448 0.784 20 0 GCADMM CO[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000826145165 947462106 /nfs/dbraw/zinc/46/21/06/947462106.db2.gz ATADEHNBJVUOKM-LLVKDONJSA-N -1 1 390.448 0.784 20 0 GCADMM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826160551 947505569 /nfs/dbraw/zinc/50/55/69/947505569.db2.gz WNXZNIFJURMXKR-INIZCTEOSA-N -1 1 395.423 0.365 20 0 GCADMM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826160551 947505580 /nfs/dbraw/zinc/50/55/80/947505580.db2.gz WNXZNIFJURMXKR-INIZCTEOSA-N -1 1 395.423 0.365 20 0 GCADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573604087 947506196 /nfs/dbraw/zinc/50/61/96/947506196.db2.gz RRUADDVMAPQURY-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573604087 947506204 /nfs/dbraw/zinc/50/62/04/947506204.db2.gz RRUADDVMAPQURY-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)N(C)CC(F)(F)F ZINC001573604722 947515200 /nfs/dbraw/zinc/51/52/00/947515200.db2.gz QIPOOJXSFQZIAO-VIFPVBQESA-N -1 1 387.370 0.410 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)N(C)CC(F)(F)F ZINC001573604722 947515208 /nfs/dbraw/zinc/51/52/08/947515208.db2.gz QIPOOJXSFQZIAO-VIFPVBQESA-N -1 1 387.370 0.410 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573605072 947522852 /nfs/dbraw/zinc/52/28/52/947522852.db2.gz USRMHGFNWFOSMQ-GFCCVEGCSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573605072 947522865 /nfs/dbraw/zinc/52/28/65/947522865.db2.gz USRMHGFNWFOSMQ-GFCCVEGCSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573607394 947546907 /nfs/dbraw/zinc/54/69/07/947546907.db2.gz MQBMLWRIJJNNKR-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573607394 947546916 /nfs/dbraw/zinc/54/69/16/947546916.db2.gz MQBMLWRIJJNNKR-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM COc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ncn1 ZINC000826180540 947558988 /nfs/dbraw/zinc/55/89/88/947558988.db2.gz LZBOXHSRYAGWLY-SNVBAGLBSA-N -1 1 397.403 0.198 20 0 GCADMM COc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ncn1 ZINC000826180540 947558996 /nfs/dbraw/zinc/55/89/96/947558996.db2.gz LZBOXHSRYAGWLY-SNVBAGLBSA-N -1 1 397.403 0.198 20 0 GCADMM COc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ncn1 ZINC000826180539 947559141 /nfs/dbraw/zinc/55/91/41/947559141.db2.gz LZBOXHSRYAGWLY-JTQLQIEISA-N -1 1 397.403 0.198 20 0 GCADMM COc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ncn1 ZINC000826180539 947559148 /nfs/dbraw/zinc/55/91/48/947559148.db2.gz LZBOXHSRYAGWLY-JTQLQIEISA-N -1 1 397.403 0.198 20 0 GCADMM COc1ccc(C(=O)NCCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826187307 947570079 /nfs/dbraw/zinc/57/00/79/947570079.db2.gz KOLUQPVEGNUIRZ-UHFFFAOYSA-N -1 1 385.384 0.260 20 0 GCADMM COc1ccc(C(=O)NCCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826187307 947570088 /nfs/dbraw/zinc/57/00/88/947570088.db2.gz KOLUQPVEGNUIRZ-UHFFFAOYSA-N -1 1 385.384 0.260 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001573613853 947573207 /nfs/dbraw/zinc/57/32/07/947573207.db2.gz JRFVKDWBPBIKLE-CXTNEJHOSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001573613853 947573215 /nfs/dbraw/zinc/57/32/15/947573215.db2.gz JRFVKDWBPBIKLE-CXTNEJHOSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573614155 947577793 /nfs/dbraw/zinc/57/77/93/947577793.db2.gz CKSYAXARYBUNQR-NWDGAFQWSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573614155 947577799 /nfs/dbraw/zinc/57/77/99/947577799.db2.gz CKSYAXARYBUNQR-NWDGAFQWSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573615002 947597488 /nfs/dbraw/zinc/59/74/88/947597488.db2.gz PAXDHGHEOYKQSP-JTQLQIEISA-N -1 1 389.420 0.099 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573350770 947604016 /nfs/dbraw/zinc/60/40/16/947604016.db2.gz GGMJRILGYSNYEQ-CQSZACIVSA-N -1 1 380.412 0.267 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573350769 947604060 /nfs/dbraw/zinc/60/40/60/947604060.db2.gz GGMJRILGYSNYEQ-AWEZNQCLSA-N -1 1 380.412 0.267 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573615279 947604295 /nfs/dbraw/zinc/60/42/95/947604295.db2.gz CXYZXDZJFDDKSG-IUODEOHRSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573615279 947604302 /nfs/dbraw/zinc/60/43/02/947604302.db2.gz CXYZXDZJFDDKSG-IUODEOHRSA-N -1 1 386.460 0.899 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573351352 947613233 /nfs/dbraw/zinc/61/32/33/947613233.db2.gz LUHVEFYKPYDXLF-AWEZNQCLSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573351352 947613240 /nfs/dbraw/zinc/61/32/40/947613240.db2.gz LUHVEFYKPYDXLF-AWEZNQCLSA-N -1 1 380.412 0.845 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573616749 947627281 /nfs/dbraw/zinc/62/72/81/947627281.db2.gz NGRCTPBBKJWCRX-NSHDSACASA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573616749 947627287 /nfs/dbraw/zinc/62/72/87/947627287.db2.gz NGRCTPBBKJWCRX-NSHDSACASA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573617497 947636865 /nfs/dbraw/zinc/63/68/65/947636865.db2.gz LUDWVZNWSFXNBE-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573617497 947636871 /nfs/dbraw/zinc/63/68/71/947636871.db2.gz LUDWVZNWSFXNBE-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573355461 947643546 /nfs/dbraw/zinc/64/35/46/947643546.db2.gz PLTFVHZBGPTGTR-IBGZPJMESA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355461 947643552 /nfs/dbraw/zinc/64/35/52/947643552.db2.gz PLTFVHZBGPTGTR-IBGZPJMESA-N -1 1 392.423 0.671 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573617992 947646360 /nfs/dbraw/zinc/64/63/60/947646360.db2.gz OHCPWISBQGVHGC-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573617992 947646363 /nfs/dbraw/zinc/64/63/63/947646363.db2.gz OHCPWISBQGVHGC-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)cc1 ZINC001573356277 947647290 /nfs/dbraw/zinc/64/72/90/947647290.db2.gz WEYCUXRTKVQRHY-GDBMZVCRSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)cc1 ZINC001573356277 947647296 /nfs/dbraw/zinc/64/72/96/947647296.db2.gz WEYCUXRTKVQRHY-GDBMZVCRSA-N -1 1 392.423 0.669 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573618841 947656132 /nfs/dbraw/zinc/65/61/32/947656132.db2.gz SRZXNWMNCRZIIJ-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(CCO)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573619277 947662769 /nfs/dbraw/zinc/66/27/69/947662769.db2.gz VIOQOIOGNAQAKU-GFCCVEGCSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(CCO)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573619277 947662775 /nfs/dbraw/zinc/66/27/75/947662775.db2.gz VIOQOIOGNAQAKU-GFCCVEGCSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573619879 947672172 /nfs/dbraw/zinc/67/21/72/947672172.db2.gz XEOWPUDCDWLHPN-SJKOYZFVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573619879 947672179 /nfs/dbraw/zinc/67/21/79/947672179.db2.gz XEOWPUDCDWLHPN-SJKOYZFVSA-N -1 1 382.432 0.765 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)cc1 ZINC001573359703 947689389 /nfs/dbraw/zinc/68/93/89/947689389.db2.gz YWMUYMRFVGCCNR-CABCVRRESA-N -1 1 378.396 0.279 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1 ZINC001573359703 947689394 /nfs/dbraw/zinc/68/93/94/947689394.db2.gz YWMUYMRFVGCCNR-CABCVRRESA-N -1 1 378.396 0.279 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573627366 947721749 /nfs/dbraw/zinc/72/17/49/947721749.db2.gz AJKYUBYNKSOHHX-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573627366 947721750 /nfs/dbraw/zinc/72/17/50/947721750.db2.gz AJKYUBYNKSOHHX-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573629659 947781463 /nfs/dbraw/zinc/78/14/63/947781463.db2.gz OWNNCOQGJGUOOQ-GXTWGEPZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573629659 947781471 /nfs/dbraw/zinc/78/14/71/947781471.db2.gz OWNNCOQGJGUOOQ-GXTWGEPZSA-N -1 1 386.460 0.493 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573372783 947781606 /nfs/dbraw/zinc/78/16/06/947781606.db2.gz CIXNVBIPCGRCQT-CABCVRRESA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573372783 947781612 /nfs/dbraw/zinc/78/16/12/947781612.db2.gz CIXNVBIPCGRCQT-CABCVRRESA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573372664 947782727 /nfs/dbraw/zinc/78/27/27/947782727.db2.gz BLQVTKRJFWUVBT-KRWDZBQOSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573372664 947782735 /nfs/dbraw/zinc/78/27/35/947782735.db2.gz BLQVTKRJFWUVBT-KRWDZBQOSA-N -1 1 388.432 0.181 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573630011 947786302 /nfs/dbraw/zinc/78/63/02/947786302.db2.gz PZWDUHWWLFZKFF-UWVGGRQHSA-N -1 1 384.366 0.928 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573373336 947790412 /nfs/dbraw/zinc/79/04/12/947790412.db2.gz IBWVXHFZCNLLFA-CABCVRRESA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573373336 947790426 /nfs/dbraw/zinc/79/04/26/947790426.db2.gz IBWVXHFZCNLLFA-CABCVRRESA-N -1 1 384.444 0.986 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573630690 947794709 /nfs/dbraw/zinc/79/47/09/947794709.db2.gz RQBWAKIFKMDIAF-OCCSQVGLSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573630692 947795224 /nfs/dbraw/zinc/79/52/24/947795224.db2.gz RQBWAKIFKMDIAF-TZMCWYRMSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573631796 947803858 /nfs/dbraw/zinc/80/38/58/947803858.db2.gz WXUAPVDXPSGVFP-JSGCOSHPSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573631796 947803865 /nfs/dbraw/zinc/80/38/65/947803865.db2.gz WXUAPVDXPSGVFP-JSGCOSHPSA-N -1 1 386.460 0.493 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573374735 947813369 /nfs/dbraw/zinc/81/33/69/947813369.db2.gz PNWCVZFNCCVGIU-KRWDZBQOSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573374735 947813376 /nfs/dbraw/zinc/81/33/76/947813376.db2.gz PNWCVZFNCCVGIU-KRWDZBQOSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573374737 947813667 /nfs/dbraw/zinc/81/36/67/947813667.db2.gz PNWCVZFNCCVGIU-QGZVFWFLSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573374737 947813672 /nfs/dbraw/zinc/81/36/72/947813672.db2.gz PNWCVZFNCCVGIU-QGZVFWFLSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573375844 947824991 /nfs/dbraw/zinc/82/49/91/947824991.db2.gz QPFDAWFPRGZXHL-CHWSQXEVSA-N -1 1 384.444 0.677 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375721 947826861 /nfs/dbraw/zinc/82/68/61/947826861.db2.gz UOCUWTJWOJIIJW-DZGCQCFKSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375721 947826871 /nfs/dbraw/zinc/82/68/71/947826871.db2.gz UOCUWTJWOJIIJW-DZGCQCFKSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376085 947830010 /nfs/dbraw/zinc/83/00/10/947830010.db2.gz WILPSTLCESOOHW-KGLIPLIRSA-N -1 1 386.460 0.877 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)c1-c1nnn[n-]1 ZINC000826289869 947842270 /nfs/dbraw/zinc/84/22/70/947842270.db2.gz PWPLQBHVHUMKCW-LBPRGKRZSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)c1-c1nn[n-]n1 ZINC000826289869 947842283 /nfs/dbraw/zinc/84/22/83/947842283.db2.gz PWPLQBHVHUMKCW-LBPRGKRZSA-N -1 1 383.416 0.589 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573639745 947847923 /nfs/dbraw/zinc/84/79/23/947847923.db2.gz CBWSXDXQDRSNDG-UWVGGRQHSA-N -1 1 382.375 0.009 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573377620 947849954 /nfs/dbraw/zinc/84/99/54/947849954.db2.gz PFAXENVUHWWWJG-JSGCOSHPSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573377620 947849960 /nfs/dbraw/zinc/84/99/60/947849960.db2.gz PFAXENVUHWWWJG-JSGCOSHPSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573377711 947850586 /nfs/dbraw/zinc/85/05/86/947850586.db2.gz QZMKMUHQZMFCMY-JSGCOSHPSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573377711 947850594 /nfs/dbraw/zinc/85/05/94/947850594.db2.gz QZMKMUHQZMFCMY-JSGCOSHPSA-N -1 1 388.432 0.444 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccn1 ZINC001573640882 947855323 /nfs/dbraw/zinc/85/53/23/947855323.db2.gz JPXDNDJELBRMGN-QWHCGFSZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccn1 ZINC001573640882 947855331 /nfs/dbraw/zinc/85/53/31/947855331.db2.gz JPXDNDJELBRMGN-QWHCGFSZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573642311 947861656 /nfs/dbraw/zinc/86/16/56/947861656.db2.gz PWZBQFWVXFHRHY-OLZOCXBDSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573642311 947861661 /nfs/dbraw/zinc/86/16/61/947861661.db2.gz PWZBQFWVXFHRHY-OLZOCXBDSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573643518 947865287 /nfs/dbraw/zinc/86/52/87/947865287.db2.gz URNHEWDULBHKIQ-RKDXNWHRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573643518 947865290 /nfs/dbraw/zinc/86/52/90/947865290.db2.gz URNHEWDULBHKIQ-RKDXNWHRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573643719 947867976 /nfs/dbraw/zinc/86/79/76/947867976.db2.gz WVSLZJPAQBGDCW-OLZOCXBDSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573643719 947867983 /nfs/dbraw/zinc/86/79/83/947867983.db2.gz WVSLZJPAQBGDCW-OLZOCXBDSA-N -1 1 383.416 0.359 20 0 GCADMM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573381204 947870959 /nfs/dbraw/zinc/87/09/59/947870959.db2.gz QLUADTVSQTVEIM-QGZVFWFLSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573381204 947870964 /nfs/dbraw/zinc/87/09/64/947870964.db2.gz QLUADTVSQTVEIM-QGZVFWFLSA-N -1 1 388.432 0.128 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccc1 ZINC001573646180 947871287 /nfs/dbraw/zinc/87/12/87/947871287.db2.gz GCRNWBFALZXCLC-VNHYZAJKSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccc1 ZINC001573646180 947871296 /nfs/dbraw/zinc/87/12/96/947871296.db2.gz GCRNWBFALZXCLC-VNHYZAJKSA-N -1 1 379.428 0.757 20 0 GCADMM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573381926 947878773 /nfs/dbraw/zinc/87/87/73/947878773.db2.gz ZSGRWOWMNLRNCB-QGZVFWFLSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573381926 947878778 /nfs/dbraw/zinc/87/87/78/947878778.db2.gz ZSGRWOWMNLRNCB-QGZVFWFLSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573383443 947891186 /nfs/dbraw/zinc/89/11/86/947891186.db2.gz QQSZIHBJQYNOPD-CYBMUJFWSA-N -1 1 388.432 0.046 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573383443 947891191 /nfs/dbraw/zinc/89/11/91/947891191.db2.gz QQSZIHBJQYNOPD-CYBMUJFWSA-N -1 1 388.432 0.046 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573647603 947900503 /nfs/dbraw/zinc/90/05/03/947900503.db2.gz PXMTZNLWGUUYPI-JHJVBQTASA-N -1 1 397.447 0.406 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573647603 947900512 /nfs/dbraw/zinc/90/05/12/947900512.db2.gz PXMTZNLWGUUYPI-JHJVBQTASA-N -1 1 397.447 0.406 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573387869 947912287 /nfs/dbraw/zinc/91/22/87/947912287.db2.gz FOJDLNLNICYCFS-UHFFFAOYSA-N -1 1 375.437 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573387869 947912294 /nfs/dbraw/zinc/91/22/94/947912294.db2.gz FOJDLNLNICYCFS-UHFFFAOYSA-N -1 1 375.437 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573387828 947912417 /nfs/dbraw/zinc/91/24/17/947912417.db2.gz DTXUAXFEDIWBTM-LDYMZIIASA-N -1 1 378.462 0.511 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573387827 947913106 /nfs/dbraw/zinc/91/31/06/947913106.db2.gz DTXUAXFEDIWBTM-KWQFWETISA-N -1 1 378.462 0.511 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)c1ccco1 ZINC001573650914 947915903 /nfs/dbraw/zinc/91/59/03/947915903.db2.gz GAPGVVUKURRKNV-UPJWGTAASA-N -1 1 380.412 0.948 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)c1ccco1 ZINC001573650914 947915906 /nfs/dbraw/zinc/91/59/06/947915906.db2.gz GAPGVVUKURRKNV-UPJWGTAASA-N -1 1 380.412 0.948 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)c1ccco1 ZINC001573650912 947916208 /nfs/dbraw/zinc/91/62/08/947916208.db2.gz GAPGVVUKURRKNV-RWMBFGLXSA-N -1 1 380.412 0.948 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)c1ccco1 ZINC001573650912 947916212 /nfs/dbraw/zinc/91/62/12/947916212.db2.gz GAPGVVUKURRKNV-RWMBFGLXSA-N -1 1 380.412 0.948 20 0 GCADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573650929 947916323 /nfs/dbraw/zinc/91/63/23/947916323.db2.gz GEYKUJWBZAFPBK-UBHSHLNASA-N -1 1 377.412 0.645 20 0 GCADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573650929 947916328 /nfs/dbraw/zinc/91/63/28/947916328.db2.gz GEYKUJWBZAFPBK-UBHSHLNASA-N -1 1 377.412 0.645 20 0 GCADMM C[C@@H](C(=O)N=[S@](C)(=O)c1ccc(N(C)C)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651157 947916908 /nfs/dbraw/zinc/91/69/08/947916908.db2.gz JALNZDUTEJNHJK-FLESLCNUSA-N -1 1 389.445 0.769 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573388702 947920432 /nfs/dbraw/zinc/92/04/32/947920432.db2.gz NWRUWEHYNNIPHO-CABZTGNLSA-N -1 1 392.489 0.616 20 0 GCADMM Cc1cn2c(n1)CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)CC2 ZINC000826317231 947925590 /nfs/dbraw/zinc/92/55/90/947925590.db2.gz UECUMBOPOUEGFX-UHFFFAOYSA-N -1 1 398.431 0.304 20 0 GCADMM Cc1cn2c(n1)CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)CC2 ZINC000826317231 947925592 /nfs/dbraw/zinc/92/55/92/947925592.db2.gz UECUMBOPOUEGFX-UHFFFAOYSA-N -1 1 398.431 0.304 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)n1cccc1 ZINC001573651992 947927335 /nfs/dbraw/zinc/92/73/35/947927335.db2.gz TWPWRXSRJMUAKG-MELADBBJSA-N -1 1 379.428 0.614 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)n1cccc1 ZINC001573651992 947927343 /nfs/dbraw/zinc/92/73/43/947927343.db2.gz TWPWRXSRJMUAKG-MELADBBJSA-N -1 1 379.428 0.614 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573391418 947934588 /nfs/dbraw/zinc/93/45/88/947934588.db2.gz HJAUIZQNPNQFTP-QMMMGPOBSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573391418 947934593 /nfs/dbraw/zinc/93/45/93/947934593.db2.gz HJAUIZQNPNQFTP-QMMMGPOBSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573391740 947936622 /nfs/dbraw/zinc/93/66/22/947936622.db2.gz IXQATEXRLDLTSO-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573391740 947936631 /nfs/dbraw/zinc/93/66/31/947936631.db2.gz IXQATEXRLDLTSO-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573391976 947939738 /nfs/dbraw/zinc/93/97/38/947939738.db2.gz NNUJJFHNKPVKBU-AAEUAGOBSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573391976 947939744 /nfs/dbraw/zinc/93/97/44/947939744.db2.gz NNUJJFHNKPVKBU-AAEUAGOBSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573652575 947942294 /nfs/dbraw/zinc/94/22/94/947942294.db2.gz DUMZCLBUAZENMA-KZULUSFZSA-N -1 1 381.444 0.838 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573392225 947943982 /nfs/dbraw/zinc/94/39/82/947943982.db2.gz XRTITYBIUULEGW-GFCCVEGCSA-N -1 1 392.489 0.537 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573392221 947944087 /nfs/dbraw/zinc/94/40/87/947944087.db2.gz XGWNBTJZMRTVAU-LLVKDONJSA-N -1 1 378.462 0.513 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573392397 947946530 /nfs/dbraw/zinc/94/65/30/947946530.db2.gz AMXOHJJFRAQLJX-BXUZGUMPSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573392397 947946538 /nfs/dbraw/zinc/94/65/38/947946538.db2.gz AMXOHJJFRAQLJX-BXUZGUMPSA-N -1 1 387.448 0.174 20 0 GCADMM Cc1nc(CN2CCCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)no1 ZINC000826325770 947949949 /nfs/dbraw/zinc/94/99/49/947949949.db2.gz LFHSQFSUCFPWLT-UHFFFAOYSA-N -1 1 387.404 0.132 20 0 GCADMM Cc1nc(CN2CCCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)no1 ZINC000826325770 947949959 /nfs/dbraw/zinc/94/99/59/947949959.db2.gz LFHSQFSUCFPWLT-UHFFFAOYSA-N -1 1 387.404 0.132 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573393370 947956783 /nfs/dbraw/zinc/95/67/83/947956783.db2.gz KSHGDZBPYSFEFA-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573393370 947956788 /nfs/dbraw/zinc/95/67/88/947956788.db2.gz KSHGDZBPYSFEFA-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573393435 947959044 /nfs/dbraw/zinc/95/90/44/947959044.db2.gz MNHXTDHFBMITKL-QMMMGPOBSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573393435 947959049 /nfs/dbraw/zinc/95/90/49/947959049.db2.gz MNHXTDHFBMITKL-QMMMGPOBSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393750 947961048 /nfs/dbraw/zinc/96/10/48/947961048.db2.gz PTRUMLLZPXHLOR-GFCCVEGCSA-N -1 1 392.489 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573394065 947962628 /nfs/dbraw/zinc/96/26/28/947962628.db2.gz SIONIHBYBJECST-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573394065 947962633 /nfs/dbraw/zinc/96/26/33/947962633.db2.gz SIONIHBYBJECST-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573394695 947966755 /nfs/dbraw/zinc/96/67/55/947966755.db2.gz VBFVNCASVLXWLC-YPMHNXCESA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573394695 947966760 /nfs/dbraw/zinc/96/67/60/947966760.db2.gz VBFVNCASVLXWLC-YPMHNXCESA-N -1 1 387.448 0.092 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)n1cncn1 ZINC001573654649 947967819 /nfs/dbraw/zinc/96/78/19/947967819.db2.gz SDLBRQHHHZXJOE-CMPLNLGQSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)n1cncn1 ZINC001573654649 947967826 /nfs/dbraw/zinc/96/78/26/947967826.db2.gz SDLBRQHHHZXJOE-CMPLNLGQSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573395633 947971005 /nfs/dbraw/zinc/97/10/05/947971005.db2.gz ZMXYOLDJOFPOII-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573395633 947971013 /nfs/dbraw/zinc/97/10/13/947971013.db2.gz ZMXYOLDJOFPOII-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573395575 947971093 /nfs/dbraw/zinc/97/10/93/947971093.db2.gz ZEWSRNLNLKCXRP-ZWNOBZJWSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573395575 947971097 /nfs/dbraw/zinc/97/10/97/947971097.db2.gz ZEWSRNLNLKCXRP-ZWNOBZJWSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573397793 947974275 /nfs/dbraw/zinc/97/42/75/947974275.db2.gz DGPDCMMENGTWQU-NKWVEPMBSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573397793 947974282 /nfs/dbraw/zinc/97/42/82/947974282.db2.gz DGPDCMMENGTWQU-NKWVEPMBSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573397882 947977085 /nfs/dbraw/zinc/97/70/85/947977085.db2.gz FSMKDQLSGNYNJC-ZETCQYMHSA-N -1 1 386.869 0.762 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(=O)N1CCOCC1 ZINC000826340567 947977105 /nfs/dbraw/zinc/97/71/05/947977105.db2.gz CTFCKUILUVUSCA-UHFFFAOYSA-N -1 1 385.384 0.147 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(=O)N1CCOCC1 ZINC000826340567 947977107 /nfs/dbraw/zinc/97/71/07/947977107.db2.gz CTFCKUILUVUSCA-UHFFFAOYSA-N -1 1 385.384 0.147 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573397882 947977090 /nfs/dbraw/zinc/97/70/90/947977090.db2.gz FSMKDQLSGNYNJC-ZETCQYMHSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)CC(C)C ZINC001573398302 947980475 /nfs/dbraw/zinc/98/04/75/947980475.db2.gz JBBWATAZUWDBNR-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)CC(C)C ZINC001573398302 947980477 /nfs/dbraw/zinc/98/04/77/947980477.db2.gz JBBWATAZUWDBNR-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573655960 947983790 /nfs/dbraw/zinc/98/37/90/947983790.db2.gz AIIBNHLITIBYAP-XIKOKIGWSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@](C)(CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573398761 947985964 /nfs/dbraw/zinc/98/59/64/947985964.db2.gz PANBXXSBZADEKE-KRWDZBQOSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@](C)(CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573398761 947985967 /nfs/dbraw/zinc/98/59/67/947985967.db2.gz PANBXXSBZADEKE-KRWDZBQOSA-N -1 1 387.448 0.140 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826343076 947985994 /nfs/dbraw/zinc/98/59/94/947985994.db2.gz LHZHBKQXGBTMRD-CQSZACIVSA-N -1 1 381.396 0.970 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826343076 947986002 /nfs/dbraw/zinc/98/60/02/947986002.db2.gz LHZHBKQXGBTMRD-CQSZACIVSA-N -1 1 381.396 0.970 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573398911 947987587 /nfs/dbraw/zinc/98/75/87/947987587.db2.gz QNQUVMDABSOVFO-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573656343 947988640 /nfs/dbraw/zinc/98/86/40/947988640.db2.gz DWAOBJJWGAEIDH-APPDUMDISA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573656343 947988651 /nfs/dbraw/zinc/98/86/51/947988651.db2.gz DWAOBJJWGAEIDH-APPDUMDISA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1-c1nnn[n-]1 ZINC000826343171 947989362 /nfs/dbraw/zinc/98/93/62/947989362.db2.gz PGPOJCJCUHXITM-LBPRGKRZSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1-c1nn[n-]n1 ZINC000826343171 947989366 /nfs/dbraw/zinc/98/93/66/947989366.db2.gz PGPOJCJCUHXITM-LBPRGKRZSA-N -1 1 383.416 0.623 20 0 GCADMM CC(=O)N(C)CC(=O)NC1CC(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573399846 947996775 /nfs/dbraw/zinc/99/67/75/947996775.db2.gz ZNFFDRSWLYWTIA-UHFFFAOYSA-N -1 1 378.462 0.417 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573402359 948002256 /nfs/dbraw/zinc/00/22/56/948002256.db2.gz GDRNUSQJGGNSPH-BXKDBHETSA-N -1 1 392.489 0.583 20 0 GCADMM Cc1onc(CC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826344538 948008523 /nfs/dbraw/zinc/00/85/23/948008523.db2.gz KOFQLABTIKAINI-NSHDSACASA-N -1 1 397.461 0.026 20 0 GCADMM Cc1onc(CC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826344538 948008536 /nfs/dbraw/zinc/00/85/36/948008536.db2.gz KOFQLABTIKAINI-NSHDSACASA-N -1 1 397.461 0.026 20 0 GCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826344537 948008950 /nfs/dbraw/zinc/00/89/50/948008950.db2.gz KOFQLABTIKAINI-LLVKDONJSA-N -1 1 397.461 0.026 20 0 GCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826344537 948008954 /nfs/dbraw/zinc/00/89/54/948008954.db2.gz KOFQLABTIKAINI-LLVKDONJSA-N -1 1 397.461 0.026 20 0 GCADMM Cc1onc(CC(=O)N2CCCN(Cc3nccn3C)CC2)c1-c1nnn[n-]1 ZINC000826344591 948009539 /nfs/dbraw/zinc/00/95/39/948009539.db2.gz LZZMEXOUYRLYBM-UHFFFAOYSA-N -1 1 385.432 0.174 20 0 GCADMM Cc1onc(CC(=O)N2CCCN(Cc3nccn3C)CC2)c1-c1nn[n-]n1 ZINC000826344591 948009549 /nfs/dbraw/zinc/00/95/49/948009549.db2.gz LZZMEXOUYRLYBM-UHFFFAOYSA-N -1 1 385.432 0.174 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573658641 948010111 /nfs/dbraw/zinc/01/01/11/948010111.db2.gz SPIKWNWABKIQMD-DIFFPNOSSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573658641 948010119 /nfs/dbraw/zinc/01/01/19/948010119.db2.gz SPIKWNWABKIQMD-DIFFPNOSSA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H](C3N=NC(=S)N3C)C2)c1-c1nnn[n-]1 ZINC000826344815 948013672 /nfs/dbraw/zinc/01/36/72/948013672.db2.gz SUMLWOGUCDAIAF-SECBINFHSA-N -1 1 389.445 0.529 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H](C3N=NC(=S)N3C)C2)c1-c1nn[n-]n1 ZINC000826344815 948013680 /nfs/dbraw/zinc/01/36/80/948013680.db2.gz SUMLWOGUCDAIAF-SECBINFHSA-N -1 1 389.445 0.529 20 0 GCADMM CC(=O)N(C)CC(=O)NC1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573404071 948014950 /nfs/dbraw/zinc/01/49/50/948014950.db2.gz PHHLAJIZUWHBBT-UHFFFAOYSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)NC1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573404071 948014956 /nfs/dbraw/zinc/01/49/56/948014956.db2.gz PHHLAJIZUWHBBT-UHFFFAOYSA-N -1 1 387.448 0.283 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)c1-c1nnn[n-]1 ZINC000826345113 948018201 /nfs/dbraw/zinc/01/82/01/948018201.db2.gz CFOONKYEWNCMDO-NSHDSACASA-N -1 1 377.430 0.228 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)c1-c1nn[n-]n1 ZINC000826345113 948018209 /nfs/dbraw/zinc/01/82/09/948018209.db2.gz CFOONKYEWNCMDO-NSHDSACASA-N -1 1 377.430 0.228 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573660288 948020837 /nfs/dbraw/zinc/02/08/37/948020837.db2.gz ZDNOTGLWGTUWCG-XIKOKIGWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573660288 948020847 /nfs/dbraw/zinc/02/08/47/948020847.db2.gz ZDNOTGLWGTUWCG-XIKOKIGWSA-N -1 1 379.428 0.940 20 0 GCADMM Cc1onc(CC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345230 948020807 /nfs/dbraw/zinc/02/08/07/948020807.db2.gz GVWRVHNKBJBEAY-CYBMUJFWSA-N -1 1 390.425 0.608 20 0 GCADMM Cc1onc(CC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345230 948020816 /nfs/dbraw/zinc/02/08/16/948020816.db2.gz GVWRVHNKBJBEAY-CYBMUJFWSA-N -1 1 390.425 0.608 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1-c1nnn[n-]1 ZINC000826345429 948023720 /nfs/dbraw/zinc/02/37/20/948023720.db2.gz KSLJSRQYWVPHKM-WCQYABFASA-N -1 1 388.384 0.650 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1-c1nn[n-]n1 ZINC000826345429 948023729 /nfs/dbraw/zinc/02/37/29/948023729.db2.gz KSLJSRQYWVPHKM-WCQYABFASA-N -1 1 388.384 0.650 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404407 948024877 /nfs/dbraw/zinc/02/48/77/948024877.db2.gz CVUCDIAGBNCERQ-NSHDSACASA-N -1 1 378.462 0.052 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404533 948025671 /nfs/dbraw/zinc/02/56/71/948025671.db2.gz UGSNLGHFINMYFM-VXGBXAGGSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cncn1 ZINC001573662984 948029083 /nfs/dbraw/zinc/02/90/83/948029083.db2.gz HWMHOPFDXNBJOA-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cncn1 ZINC001573662984 948029094 /nfs/dbraw/zinc/02/90/94/948029094.db2.gz HWMHOPFDXNBJOA-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1-c1nn[n-]n1 ZINC000826345664 948029343 /nfs/dbraw/zinc/02/93/43/948029343.db2.gz QPKUKYOBMIGHHE-LLVKDONJSA-N -1 1 399.375 0.387 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573404655 948031036 /nfs/dbraw/zinc/03/10/36/948031036.db2.gz INDNPKVEFBUYLQ-UHFFFAOYSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573404655 948031044 /nfs/dbraw/zinc/03/10/44/948031044.db2.gz INDNPKVEFBUYLQ-UHFFFAOYSA-N -1 1 387.448 0.284 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573663069 948032660 /nfs/dbraw/zinc/03/26/60/948032660.db2.gz IQNLQUIMSUXOKX-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573663069 948032667 /nfs/dbraw/zinc/03/26/67/948032667.db2.gz IQNLQUIMSUXOKX-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573404887 948033512 /nfs/dbraw/zinc/03/35/12/948033512.db2.gz XKPGDGSLIKJVIH-QWHCGFSZSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573404887 948033516 /nfs/dbraw/zinc/03/35/16/948033516.db2.gz XKPGDGSLIKJVIH-QWHCGFSZSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573404888 948033689 /nfs/dbraw/zinc/03/36/89/948033689.db2.gz XKPGDGSLIKJVIH-STQMWFEESA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573404888 948033696 /nfs/dbraw/zinc/03/36/96/948033696.db2.gz XKPGDGSLIKJVIH-STQMWFEESA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573404967 948036006 /nfs/dbraw/zinc/03/60/06/948036006.db2.gz MICUFDSJUWVVTO-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573404967 948036011 /nfs/dbraw/zinc/03/60/11/948036011.db2.gz MICUFDSJUWVVTO-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](O)COc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826346212 948036614 /nfs/dbraw/zinc/03/66/14/948036614.db2.gz GRDMKVSZYQETLX-LLVKDONJSA-N -1 1 376.348 0.401 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](O)COc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826346212 948036621 /nfs/dbraw/zinc/03/66/21/948036621.db2.gz GRDMKVSZYQETLX-LLVKDONJSA-N -1 1 376.348 0.401 20 0 GCADMM C[C@@H](C(=O)NC1(Cc2ccccc2)CCOCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573663516 948037557 /nfs/dbraw/zinc/03/75/57/948037557.db2.gz NJOUKHNILSNDOV-ZDUSSCGKSA-N -1 1 382.428 0.927 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)N2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826346649 948042956 /nfs/dbraw/zinc/04/29/56/948042956.db2.gz RTLWRMSAWJLLRD-UHFFFAOYSA-N -1 1 381.396 0.407 20 0 GCADMM Cc1onc(CC(=O)NCC(=O)N2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826346649 948042968 /nfs/dbraw/zinc/04/29/68/948042968.db2.gz RTLWRMSAWJLLRD-UHFFFAOYSA-N -1 1 381.396 0.407 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573663832 948044290 /nfs/dbraw/zinc/04/42/90/948044290.db2.gz ARVVSESOQPFPEO-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573663832 948044299 /nfs/dbraw/zinc/04/42/99/948044299.db2.gz ARVVSESOQPFPEO-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573405955 948049680 /nfs/dbraw/zinc/04/96/80/948049680.db2.gz ZHWHRGMDECLHIY-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573405955 948049686 /nfs/dbraw/zinc/04/96/86/948049686.db2.gz ZHWHRGMDECLHIY-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573406564 948056080 /nfs/dbraw/zinc/05/60/80/948056080.db2.gz KWBSOZLSWOMVOK-XYPYZODXSA-N -1 1 378.462 0.417 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)c2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826347682 948058329 /nfs/dbraw/zinc/05/83/29/948058329.db2.gz ZWSFUQSDCYGATK-UHFFFAOYSA-N -1 1 389.803 0.905 20 0 GCADMM Cc1onc(CC(=O)NCCNC(=O)c2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826347682 948058337 /nfs/dbraw/zinc/05/83/37/948058337.db2.gz ZWSFUQSDCYGATK-UHFFFAOYSA-N -1 1 389.803 0.905 20 0 GCADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)n1cccn1 ZINC001573665010 948064001 /nfs/dbraw/zinc/06/40/01/948064001.db2.gz ZSRGHOQCYXUMPT-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)n1cccn1 ZINC001573665010 948064010 /nfs/dbraw/zinc/06/40/10/948064010.db2.gz ZSRGHOQCYXUMPT-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573664981 948065859 /nfs/dbraw/zinc/06/58/59/948065859.db2.gz ZGCQJMDDEJBWBI-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573664981 948065865 /nfs/dbraw/zinc/06/58/65/948065865.db2.gz ZGCQJMDDEJBWBI-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826348390 948072088 /nfs/dbraw/zinc/07/20/88/948072088.db2.gz JYOYJNHPHMPYLY-UHFFFAOYSA-N -1 1 390.425 0.931 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826348390 948072099 /nfs/dbraw/zinc/07/20/99/948072099.db2.gz JYOYJNHPHMPYLY-UHFFFAOYSA-N -1 1 390.425 0.931 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573666038 948079524 /nfs/dbraw/zinc/07/95/24/948079524.db2.gz PDUDLVUFVLBUJD-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573666038 948079530 /nfs/dbraw/zinc/07/95/30/948079530.db2.gz PDUDLVUFVLBUJD-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826348690 948080797 /nfs/dbraw/zinc/08/07/97/948080797.db2.gz ZFPHBFJZHMWOAQ-UHFFFAOYSA-N -1 1 391.413 0.394 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826348690 948080801 /nfs/dbraw/zinc/08/08/01/948080801.db2.gz ZFPHBFJZHMWOAQ-UHFFFAOYSA-N -1 1 391.413 0.394 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573666852 948091518 /nfs/dbraw/zinc/09/15/18/948091518.db2.gz WVBJROBKHGVROV-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573666852 948091524 /nfs/dbraw/zinc/09/15/24/948091524.db2.gz WVBJROBKHGVROV-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573667139 948094285 /nfs/dbraw/zinc/09/42/85/948094285.db2.gz YEJVVBDPYDSLGB-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CC(C)(C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573414685 948098286 /nfs/dbraw/zinc/09/82/86/948098286.db2.gz NOGIESJYUBGBRL-UHFFFAOYSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CC(C)(C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573414685 948098292 /nfs/dbraw/zinc/09/82/92/948098292.db2.gz NOGIESJYUBGBRL-UHFFFAOYSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573414847 948098797 /nfs/dbraw/zinc/09/87/97/948098797.db2.gz QUOKCPWVJQSGBM-LBPRGKRZSA-N -1 1 390.473 0.513 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccnc1 ZINC001573670671 948103853 /nfs/dbraw/zinc/10/38/53/948103853.db2.gz CUJVZQADVBHTKI-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC001573670671 948103861 /nfs/dbraw/zinc/10/38/61/948103861.db2.gz CUJVZQADVBHTKI-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(N3CCOC3=O)cc2)n1 ZINC000826356698 948111553 /nfs/dbraw/zinc/11/15/53/948111553.db2.gz BNYDPPYTYPDMQD-UHFFFAOYSA-N -1 1 383.372 0.879 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(N3CCOC3=O)cc2)n1 ZINC000826356698 948111560 /nfs/dbraw/zinc/11/15/60/948111560.db2.gz BNYDPPYTYPDMQD-UHFFFAOYSA-N -1 1 383.372 0.879 20 0 GCADMM CC(=O)N1CC(C(=O)NC2CC(CNc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573418173 948115559 /nfs/dbraw/zinc/11/55/59/948115559.db2.gz DWWPKOQAYIVBCI-UHFFFAOYSA-N -1 1 390.473 0.417 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573419631 948125116 /nfs/dbraw/zinc/12/51/16/948125116.db2.gz NWIUPYQYFKCHJR-IUCAKERBSA-N -1 1 392.489 0.805 20 0 GCADMM CC(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)=C1CCCC1 ZINC001573676194 948125271 /nfs/dbraw/zinc/12/52/71/948125271.db2.gz SKMYEUKMGFIYCO-HIFRSBDPSA-N -1 1 384.444 0.603 20 0 GCADMM CC(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)=C1CCCC1 ZINC001573676194 948125278 /nfs/dbraw/zinc/12/52/78/948125278.db2.gz SKMYEUKMGFIYCO-HIFRSBDPSA-N -1 1 384.444 0.603 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cccn1 ZINC001573677000 948130984 /nfs/dbraw/zinc/13/09/84/948130984.db2.gz BPNNBVZSTIHNNF-AAEUAGOBSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cccn1 ZINC001573677000 948130990 /nfs/dbraw/zinc/13/09/90/948130990.db2.gz BPNNBVZSTIHNNF-AAEUAGOBSA-N -1 1 382.432 0.445 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)C)C1 ZINC001573422348 948142014 /nfs/dbraw/zinc/14/20/14/948142014.db2.gz JYOSCEDMUFDRRN-LBPRGKRZSA-N -1 1 392.489 0.663 20 0 GCADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cccn1 ZINC001573678690 948152879 /nfs/dbraw/zinc/15/28/79/948152879.db2.gz HUGDVJWDLDFQSR-YPMHNXCESA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cccn1 ZINC001573678690 948152885 /nfs/dbraw/zinc/15/28/85/948152885.db2.gz HUGDVJWDLDFQSR-YPMHNXCESA-N -1 1 382.432 0.445 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573428990 948168074 /nfs/dbraw/zinc/16/80/74/948168074.db2.gz FPPUIDLYPBFCDH-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573428990 948168082 /nfs/dbraw/zinc/16/80/82/948168082.db2.gz FPPUIDLYPBFCDH-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573679982 948169177 /nfs/dbraw/zinc/16/91/77/948169177.db2.gz KQAQWSGCUMUDQH-OCCSQVGLSA-N -1 1 381.444 0.830 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573429436 948171788 /nfs/dbraw/zinc/17/17/88/948171788.db2.gz JMSWTMDRAKKZJV-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573429436 948171793 /nfs/dbraw/zinc/17/17/93/948171793.db2.gz JMSWTMDRAKKZJV-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573430525 948175694 /nfs/dbraw/zinc/17/56/94/948175694.db2.gz PRBCBOTZHMUHNL-VIFPVBQESA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573430116 948176114 /nfs/dbraw/zinc/17/61/14/948176114.db2.gz OCJLEPUXAFXKCE-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573430116 948176118 /nfs/dbraw/zinc/17/61/18/948176118.db2.gz OCJLEPUXAFXKCE-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573431738 948182292 /nfs/dbraw/zinc/18/22/92/948182292.db2.gz ZXXGMHVAEVBOSL-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573431738 948182301 /nfs/dbraw/zinc/18/23/01/948182301.db2.gz ZXXGMHVAEVBOSL-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573432080 948185766 /nfs/dbraw/zinc/18/57/66/948185766.db2.gz CUJUXFTXEWIERH-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573432080 948185771 /nfs/dbraw/zinc/18/57/71/948185771.db2.gz CUJUXFTXEWIERH-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cnn(C)c1 ZINC001573680802 948187257 /nfs/dbraw/zinc/18/72/57/948187257.db2.gz PYLKQALHXDKKQU-MFKMUULPSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573680802 948187265 /nfs/dbraw/zinc/18/72/65/948187265.db2.gz PYLKQALHXDKKQU-MFKMUULPSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573680840 948189528 /nfs/dbraw/zinc/18/95/28/948189528.db2.gz QQXOJGLVEOQDQA-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573680840 948189534 /nfs/dbraw/zinc/18/95/34/948189534.db2.gz QQXOJGLVEOQDQA-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573432908 948195915 /nfs/dbraw/zinc/19/59/15/948195915.db2.gz IKDDJRQAXOHPJF-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573432908 948195922 /nfs/dbraw/zinc/19/59/22/948195922.db2.gz IKDDJRQAXOHPJF-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573681266 948199459 /nfs/dbraw/zinc/19/94/59/948199459.db2.gz UDCGUILFCFQBRH-AAEUAGOBSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573681266 948199469 /nfs/dbraw/zinc/19/94/69/948199469.db2.gz UDCGUILFCFQBRH-AAEUAGOBSA-N -1 1 384.448 0.747 20 0 GCADMM C[C@H](C(=O)NCC(=O)c1ccc(F)cc1Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001573681358 948200808 /nfs/dbraw/zinc/20/08/08/948200808.db2.gz WKVUJBBFSUMOMO-SSDOTTSWSA-N -1 1 378.755 0.811 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573434139 948209084 /nfs/dbraw/zinc/20/90/84/948209084.db2.gz OERCALNPHXXJMM-APPDUMDISA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573434139 948209093 /nfs/dbraw/zinc/20/90/93/948209093.db2.gz OERCALNPHXXJMM-APPDUMDISA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434217 948210529 /nfs/dbraw/zinc/21/05/29/948210529.db2.gz OXVNJWIYBGPVMQ-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434217 948210534 /nfs/dbraw/zinc/21/05/34/948210534.db2.gz OXVNJWIYBGPVMQ-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCC1 ZINC001573689923 948221366 /nfs/dbraw/zinc/22/13/66/948221366.db2.gz AMNVHNSCUYVEND-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCC1 ZINC001573689923 948221376 /nfs/dbraw/zinc/22/13/76/948221376.db2.gz AMNVHNSCUYVEND-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573690734 948226969 /nfs/dbraw/zinc/22/69/69/948226969.db2.gz AMJNTJAWJKPYCK-GHMZBOCLSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573690734 948226979 /nfs/dbraw/zinc/22/69/79/948226979.db2.gz AMJNTJAWJKPYCK-GHMZBOCLSA-N -1 1 385.432 0.022 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573435479 948230524 /nfs/dbraw/zinc/23/05/24/948230524.db2.gz XITNKRHRNGVPKG-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573435479 948230531 /nfs/dbraw/zinc/23/05/31/948230531.db2.gz XITNKRHRNGVPKG-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573439257 948243785 /nfs/dbraw/zinc/24/37/85/948243785.db2.gz KGKOJVKLIJJDCS-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573439257 948243792 /nfs/dbraw/zinc/24/37/92/948243792.db2.gz KGKOJVKLIJJDCS-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573439679 948248947 /nfs/dbraw/zinc/24/89/47/948248947.db2.gz OUFQVPPWFXUVTO-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573439679 948248952 /nfs/dbraw/zinc/24/89/52/948248952.db2.gz OUFQVPPWFXUVTO-WCQYABFASA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573439677 948249089 /nfs/dbraw/zinc/24/90/89/948249089.db2.gz OUFQVPPWFXUVTO-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573439677 948249097 /nfs/dbraw/zinc/24/90/97/948249097.db2.gz OUFQVPPWFXUVTO-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cncn1 ZINC001573692256 948258105 /nfs/dbraw/zinc/25/81/05/948258105.db2.gz NPCRFPUOSBPAES-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cncn1 ZINC001573692256 948258114 /nfs/dbraw/zinc/25/81/14/948258114.db2.gz NPCRFPUOSBPAES-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439974 948259622 /nfs/dbraw/zinc/25/96/22/948259622.db2.gz XOWSRLYIBFNSIX-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439974 948259631 /nfs/dbraw/zinc/25/96/31/948259631.db2.gz XOWSRLYIBFNSIX-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573692958 948275613 /nfs/dbraw/zinc/27/56/13/948275613.db2.gz RCTFJUUUCJMLBW-WDEREUQCSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573692958 948275617 /nfs/dbraw/zinc/27/56/17/948275617.db2.gz RCTFJUUUCJMLBW-WDEREUQCSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573692981 948276084 /nfs/dbraw/zinc/27/60/84/948276084.db2.gz RFXCGFPRVPNMRK-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573692981 948276093 /nfs/dbraw/zinc/27/60/93/948276093.db2.gz RFXCGFPRVPNMRK-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573441897 948279501 /nfs/dbraw/zinc/27/95/01/948279501.db2.gz PECZXTROZZTYMK-ZDUSSCGKSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573441897 948279509 /nfs/dbraw/zinc/27/95/09/948279509.db2.gz PECZXTROZZTYMK-ZDUSSCGKSA-N -1 1 387.448 0.284 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(F)(F)F ZINC001573693650 948284290 /nfs/dbraw/zinc/28/42/90/948284290.db2.gz AMDYCSARYUKBRR-KYXWUPHJSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(F)(F)F ZINC001573693650 948284298 /nfs/dbraw/zinc/28/42/98/948284298.db2.gz AMDYCSARYUKBRR-KYXWUPHJSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cccnc1 ZINC001573694664 948296133 /nfs/dbraw/zinc/29/61/33/948296133.db2.gz CVBLYYWXPKMJJX-CYUUQNCZSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cccnc1 ZINC001573694664 948296141 /nfs/dbraw/zinc/29/61/41/948296141.db2.gz CVBLYYWXPKMJJX-CYUUQNCZSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573695010 948300009 /nfs/dbraw/zinc/30/00/09/948300009.db2.gz WMGAJHHKSXDNME-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573695010 948300014 /nfs/dbraw/zinc/30/00/14/948300014.db2.gz WMGAJHHKSXDNME-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573695016 948301700 /nfs/dbraw/zinc/30/17/00/948301700.db2.gz WMGAJHHKSXDNME-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573695016 948301709 /nfs/dbraw/zinc/30/17/09/948301709.db2.gz WMGAJHHKSXDNME-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573695289 948302112 /nfs/dbraw/zinc/30/21/12/948302112.db2.gz GBKROWUNQLGAHT-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573695289 948302123 /nfs/dbraw/zinc/30/21/23/948302123.db2.gz GBKROWUNQLGAHT-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573445099 948322051 /nfs/dbraw/zinc/32/20/51/948322051.db2.gz YFNGLGQXCPJJCP-GFCCVEGCSA-N -1 1 392.489 0.443 20 0 GCADMM C[C@@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573696391 948324017 /nfs/dbraw/zinc/32/40/17/948324017.db2.gz PKULLXXPIUGOPX-LKSINWNRSA-N -1 1 379.428 0.584 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573696485 948325952 /nfs/dbraw/zinc/32/59/52/948325952.db2.gz RDSVRSCVUIPDHO-PSLIRLAXSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573696485 948325958 /nfs/dbraw/zinc/32/59/58/948325958.db2.gz RDSVRSCVUIPDHO-PSLIRLAXSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573696487 948326806 /nfs/dbraw/zinc/32/68/06/948326806.db2.gz RDSVRSCVUIPDHO-VFZGTOFNSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573696487 948326814 /nfs/dbraw/zinc/32/68/14/948326814.db2.gz RDSVRSCVUIPDHO-VFZGTOFNSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573446456 948328811 /nfs/dbraw/zinc/32/88/11/948328811.db2.gz GVPHZCZOQQYPHT-CQSZACIVSA-N -1 1 389.485 0.583 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573446445 948328836 /nfs/dbraw/zinc/32/88/36/948328836.db2.gz GOFPDRRMQWAYNO-ZIAGYGMSSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573446445 948328850 /nfs/dbraw/zinc/32/88/50/948328850.db2.gz GOFPDRRMQWAYNO-ZIAGYGMSSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)(F)F ZINC001573696767 948334726 /nfs/dbraw/zinc/33/47/26/948334726.db2.gz WWLFLZKWGKKKLG-VIFPVBQESA-N -1 1 386.428 0.882 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573446905 948337929 /nfs/dbraw/zinc/33/79/29/948337929.db2.gz RKWGAVCNDDGMTO-JOYOIKCWSA-N -1 1 392.489 0.583 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573447061 948340185 /nfs/dbraw/zinc/34/01/85/948340185.db2.gz SYYMFFGIVGSKKR-QMTHXVAHSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573447061 948340194 /nfs/dbraw/zinc/34/01/94/948340194.db2.gz SYYMFFGIVGSKKR-QMTHXVAHSA-N -1 1 387.448 0.140 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573702588 948346974 /nfs/dbraw/zinc/34/69/74/948346974.db2.gz FSJJOAUHMGMWLJ-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573702588 948346980 /nfs/dbraw/zinc/34/69/80/948346980.db2.gz FSJJOAUHMGMWLJ-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573703120 948351604 /nfs/dbraw/zinc/35/16/04/948351604.db2.gz IESJSYJITOCMHB-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CCCC1 ZINC001573705351 948397193 /nfs/dbraw/zinc/39/71/93/948397193.db2.gz DWUPTNUDKWVPQJ-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CCCC1 ZINC001573705351 948397196 /nfs/dbraw/zinc/39/71/96/948397196.db2.gz DWUPTNUDKWVPQJ-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[n-]n2)n1 ZINC001573705427 948400161 /nfs/dbraw/zinc/40/01/61/948400161.db2.gz WQDYWVXOYPZLLW-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[n-]n2)n1 ZINC001573705424 948400560 /nfs/dbraw/zinc/40/05/60/948400560.db2.gz WQDYWVXOYPZLLW-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487817 948401462 /nfs/dbraw/zinc/40/14/62/948401462.db2.gz AVWOLPOTMBPXMZ-SECBINFHSA-N -1 1 394.354 0.921 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)c1ccco1 ZINC001573705539 948401813 /nfs/dbraw/zinc/40/18/13/948401813.db2.gz FWUQUKHJLGSWNG-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)c1ccco1 ZINC001573705539 948401819 /nfs/dbraw/zinc/40/18/19/948401819.db2.gz FWUQUKHJLGSWNG-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573705693 948405454 /nfs/dbraw/zinc/40/54/54/948405454.db2.gz IVPRSZYAQKKRQY-GFCCVEGCSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573705693 948405457 /nfs/dbraw/zinc/40/54/57/948405457.db2.gz IVPRSZYAQKKRQY-GFCCVEGCSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(F)(F)F ZINC001573705632 948405618 /nfs/dbraw/zinc/40/56/18/948405618.db2.gz GPCWEEPOTWAQLA-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(F)(F)F ZINC001573705632 948405622 /nfs/dbraw/zinc/40/56/22/948405622.db2.gz GPCWEEPOTWAQLA-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CCC1 ZINC001573705914 948410264 /nfs/dbraw/zinc/41/02/64/948410264.db2.gz HJBYUGZONVPTCC-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CCC1 ZINC001573705914 948410269 /nfs/dbraw/zinc/41/02/69/948410269.db2.gz HJBYUGZONVPTCC-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573706103 948411570 /nfs/dbraw/zinc/41/15/70/948411570.db2.gz JQTOYPCBBWJCTK-VXGBXAGGSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573706103 948411574 /nfs/dbraw/zinc/41/15/74/948411574.db2.gz JQTOYPCBBWJCTK-VXGBXAGGSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001573707233 948430192 /nfs/dbraw/zinc/43/01/92/948430192.db2.gz OEGRFEPAWAIIGW-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001573707233 948430200 /nfs/dbraw/zinc/43/02/00/948430200.db2.gz OEGRFEPAWAIIGW-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573707412 948431822 /nfs/dbraw/zinc/43/18/22/948431822.db2.gz NQBCQOYQBWMZHP-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573707412 948431827 /nfs/dbraw/zinc/43/18/27/948431827.db2.gz NQBCQOYQBWMZHP-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573707485 948433333 /nfs/dbraw/zinc/43/33/33/948433333.db2.gz PJKIUYGYOWZDQU-RYUDHWBXSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573707485 948433339 /nfs/dbraw/zinc/43/33/39/948433339.db2.gz PJKIUYGYOWZDQU-RYUDHWBXSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)n1cccc1 ZINC001573707788 948438889 /nfs/dbraw/zinc/43/88/89/948438889.db2.gz PTIZBNLURKWQJC-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)n1cccc1 ZINC001573707788 948438897 /nfs/dbraw/zinc/43/88/97/948438897.db2.gz PTIZBNLURKWQJC-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573708271 948447008 /nfs/dbraw/zinc/44/70/08/948447008.db2.gz SNYZEIPKUSNSOG-QWHCGFSZSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573708670 948455627 /nfs/dbraw/zinc/45/56/27/948455627.db2.gz XAKXDNKLODNUCZ-SNVBAGLBSA-N -1 1 393.452 0.829 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573708889 948461234 /nfs/dbraw/zinc/46/12/34/948461234.db2.gz YHGJWELVAJKTOI-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573708889 948461238 /nfs/dbraw/zinc/46/12/38/948461238.db2.gz YHGJWELVAJKTOI-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573714673 948475021 /nfs/dbraw/zinc/47/50/21/948475021.db2.gz INMXOIGUVNWBNH-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573715419 948490142 /nfs/dbraw/zinc/49/01/42/948490142.db2.gz VWPWSUUMJIHIRB-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573715419 948490144 /nfs/dbraw/zinc/49/01/44/948490144.db2.gz VWPWSUUMJIHIRB-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)N(C)CC(F)(F)F ZINC001573716999 948505068 /nfs/dbraw/zinc/50/50/68/948505068.db2.gz AKSWALGVRKHOHR-SECBINFHSA-N -1 1 387.370 0.092 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)N(C)CC(F)(F)F ZINC001573716999 948505076 /nfs/dbraw/zinc/50/50/76/948505076.db2.gz AKSWALGVRKHOHR-SECBINFHSA-N -1 1 387.370 0.092 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573717510 948510223 /nfs/dbraw/zinc/51/02/23/948510223.db2.gz DRSHTZLAIAQUSB-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573717510 948510229 /nfs/dbraw/zinc/51/02/29/948510229.db2.gz DRSHTZLAIAQUSB-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573718148 948515676 /nfs/dbraw/zinc/51/56/76/948515676.db2.gz HZJZNNMAJRSBDM-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NCCOCCCNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573719578 948527066 /nfs/dbraw/zinc/52/70/66/948527066.db2.gz WYRUTINWMBMJIN-VIFPVBQESA-N -1 1 388.354 0.790 20 0 GCADMM C[C@@H](C(=O)NCCOCCCNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573719578 948527071 /nfs/dbraw/zinc/52/70/71/948527071.db2.gz WYRUTINWMBMJIN-VIFPVBQESA-N -1 1 388.354 0.790 20 0 GCADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573721328 948539381 /nfs/dbraw/zinc/53/93/81/948539381.db2.gz XTAVZFGZLFHIGB-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573721328 948539390 /nfs/dbraw/zinc/53/93/90/948539390.db2.gz XTAVZFGZLFHIGB-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccc1 ZINC001573725542 948543116 /nfs/dbraw/zinc/54/31/16/948543116.db2.gz ANBWLNWEJLJNMA-MGPQQGTHSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccc1 ZINC001573725542 948543123 /nfs/dbraw/zinc/54/31/23/948543123.db2.gz ANBWLNWEJLJNMA-MGPQQGTHSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573729508 948568944 /nfs/dbraw/zinc/56/89/44/948568944.db2.gz UJOYMXJHJJJWPP-GRYCIOLGSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573729508 948568949 /nfs/dbraw/zinc/56/89/49/948568949.db2.gz UJOYMXJHJJJWPP-GRYCIOLGSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)n1cccn1 ZINC001573730010 948572981 /nfs/dbraw/zinc/57/29/81/948572981.db2.gz XREFMQNGPBPCJZ-JHJVBQTASA-N -1 1 382.432 0.303 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccn1 ZINC001573730010 948572985 /nfs/dbraw/zinc/57/29/85/948572985.db2.gz XREFMQNGPBPCJZ-JHJVBQTASA-N -1 1 382.432 0.303 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573730358 948581115 /nfs/dbraw/zinc/58/11/15/948581115.db2.gz PASBZOCXOHXKGM-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573730358 948581120 /nfs/dbraw/zinc/58/11/20/948581120.db2.gz PASBZOCXOHXKGM-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001573731746 948594446 /nfs/dbraw/zinc/59/44/46/948594446.db2.gz YGRGKMDVXDNWGO-OPRDCNLKSA-N -1 1 389.441 0.503 20 0 GCADMM C[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001573731746 948594455 /nfs/dbraw/zinc/59/44/55/948594455.db2.gz YGRGKMDVXDNWGO-OPRDCNLKSA-N -1 1 389.441 0.503 20 0 GCADMM C[C@@H](C(=O)NCc1nc(Cc2ccccc2F)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001573731717 948595221 /nfs/dbraw/zinc/59/52/21/948595221.db2.gz XYOXOHHXEQMYAN-VIFPVBQESA-N -1 1 398.362 0.449 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573736105 948613248 /nfs/dbraw/zinc/61/32/48/948613248.db2.gz ILYRZPWLSHMEOV-YNEHKIRRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573736105 948613250 /nfs/dbraw/zinc/61/32/50/948613250.db2.gz ILYRZPWLSHMEOV-YNEHKIRRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1cccs1 ZINC001573739630 948621317 /nfs/dbraw/zinc/62/13/17/948621317.db2.gz FUHKETARVHPROW-YUSALJHKSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1cccs1 ZINC001573739630 948621325 /nfs/dbraw/zinc/62/13/25/948621325.db2.gz FUHKETARVHPROW-YUSALJHKSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573739782 948622092 /nfs/dbraw/zinc/62/20/92/948622092.db2.gz HPNWNLSHDRVOIX-OXHZDVMGSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573739782 948622095 /nfs/dbraw/zinc/62/20/95/948622095.db2.gz HPNWNLSHDRVOIX-OXHZDVMGSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573739805 948624493 /nfs/dbraw/zinc/62/44/93/948624493.db2.gz HTPAYPKAZMGPPB-LPWJVIDDSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccsc1 ZINC001573740039 948627852 /nfs/dbraw/zinc/62/78/52/948627852.db2.gz JZNZHROBKWNYGP-OASPWFOLSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccsc1 ZINC001573740039 948627858 /nfs/dbraw/zinc/62/78/58/948627858.db2.gz JZNZHROBKWNYGP-OASPWFOLSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1cccnc1 ZINC001573740840 948643727 /nfs/dbraw/zinc/64/37/27/948643727.db2.gz UDRJWCGGFOAGKO-LALPHHSUSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1cccnc1 ZINC001573740840 948643732 /nfs/dbraw/zinc/64/37/32/948643732.db2.gz UDRJWCGGFOAGKO-LALPHHSUSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccs1 ZINC001573740837 948643832 /nfs/dbraw/zinc/64/38/32/948643832.db2.gz PKFFDYUFTVFGSU-JLLWLGSASA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccs1 ZINC001573740837 948643837 /nfs/dbraw/zinc/64/38/37/948643837.db2.gz PKFFDYUFTVFGSU-JLLWLGSASA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573741500 948654525 /nfs/dbraw/zinc/65/45/25/948654525.db2.gz BLIMWFANWGMCHE-RKDXNWHRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573741500 948654527 /nfs/dbraw/zinc/65/45/27/948654527.db2.gz BLIMWFANWGMCHE-RKDXNWHRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)c1cnn(C)c1 ZINC001573745684 948674589 /nfs/dbraw/zinc/67/45/89/948674589.db2.gz GSSHEITWHGEPAC-LOWVWBTDSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573746535 948684907 /nfs/dbraw/zinc/68/49/07/948684907.db2.gz NRMMQYDLVRIIMA-SRVKXCTJSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573746535 948684908 /nfs/dbraw/zinc/68/49/08/948684908.db2.gz NRMMQYDLVRIIMA-SRVKXCTJSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1cccnc1 ZINC001573746877 948686108 /nfs/dbraw/zinc/68/61/08/948686108.db2.gz QBGWYBWQXILHAN-SCRDCRAPSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1cccnc1 ZINC001573746877 948686114 /nfs/dbraw/zinc/68/61/14/948686114.db2.gz QBGWYBWQXILHAN-SCRDCRAPSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573746862 948686507 /nfs/dbraw/zinc/68/65/07/948686507.db2.gz MALUFDISEZEXFQ-YRGRVCCFSA-N -1 1 379.428 0.584 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1cccnc1 ZINC001573747350 948688972 /nfs/dbraw/zinc/68/89/72/948688972.db2.gz SBJFYWWLELGRBH-SCRDCRAPSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1cccnc1 ZINC001573747350 948688979 /nfs/dbraw/zinc/68/89/79/948688979.db2.gz SBJFYWWLELGRBH-SCRDCRAPSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573747389 948690019 /nfs/dbraw/zinc/69/00/19/948690019.db2.gz SVWGAEIVHHSAPE-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573747389 948690023 /nfs/dbraw/zinc/69/00/23/948690023.db2.gz SVWGAEIVHHSAPE-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573747482 948692864 /nfs/dbraw/zinc/69/28/64/948692864.db2.gz VHCNNWJVHOMSJP-XUXIUFHCSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573747480 948693081 /nfs/dbraw/zinc/69/30/81/948693081.db2.gz VHCNNWJVHOMSJP-SYQHCUMBSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573751926 948707199 /nfs/dbraw/zinc/70/71/99/948707199.db2.gz IHFWLFSRTPMFCA-NMKXLXIOSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573751926 948707205 /nfs/dbraw/zinc/70/72/05/948707205.db2.gz IHFWLFSRTPMFCA-NMKXLXIOSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573752500 948713990 /nfs/dbraw/zinc/71/39/90/948713990.db2.gz NOPXEVUXTOFQMS-MQYQWHSLSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573753005 948716193 /nfs/dbraw/zinc/71/61/93/948716193.db2.gz QFMHYQQLQCCPAK-CXTNEJHOSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573753005 948716203 /nfs/dbraw/zinc/71/62/03/948716203.db2.gz QFMHYQQLQCCPAK-CXTNEJHOSA-N -1 1 379.428 0.945 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574416033 948744201 /nfs/dbraw/zinc/74/42/01/948744201.db2.gz NWTHUMMBXXWUJV-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574416033 948744209 /nfs/dbraw/zinc/74/42/09/948744209.db2.gz NWTHUMMBXXWUJV-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001574416372 948745915 /nfs/dbraw/zinc/74/59/15/948745915.db2.gz SHUZGPVWECLZKW-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001574416372 948745924 /nfs/dbraw/zinc/74/59/24/948745924.db2.gz SHUZGPVWECLZKW-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574678361 948748386 /nfs/dbraw/zinc/74/83/86/948748386.db2.gz DQTWRICNXRUNKO-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574678361 948748390 /nfs/dbraw/zinc/74/83/90/948748390.db2.gz DQTWRICNXRUNKO-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574416481 948748514 /nfs/dbraw/zinc/74/85/14/948748514.db2.gz VCEHHUBNPIEUQF-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574416481 948748528 /nfs/dbraw/zinc/74/85/28/948748528.db2.gz VCEHHUBNPIEUQF-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574678448 948748800 /nfs/dbraw/zinc/74/88/00/948748800.db2.gz FZRCWLLZRLUIMV-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574678448 948748810 /nfs/dbraw/zinc/74/88/10/948748810.db2.gz FZRCWLLZRLUIMV-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574678355 948749149 /nfs/dbraw/zinc/74/91/49/948749149.db2.gz DOHSETWMTQCTMA-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574678355 948749157 /nfs/dbraw/zinc/74/91/57/948749157.db2.gz DOHSETWMTQCTMA-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574678451 948750381 /nfs/dbraw/zinc/75/03/81/948750381.db2.gz FZRCWLLZRLUIMV-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574678451 948750394 /nfs/dbraw/zinc/75/03/94/948750394.db2.gz FZRCWLLZRLUIMV-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574416688 948757583 /nfs/dbraw/zinc/75/75/83/948757583.db2.gz DIMLRVGTKIBILP-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574416688 948757592 /nfs/dbraw/zinc/75/75/92/948757592.db2.gz DIMLRVGTKIBILP-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574416810 948763339 /nfs/dbraw/zinc/76/33/39/948763339.db2.gz IZHSGZDUZKWXPP-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574416810 948763353 /nfs/dbraw/zinc/76/33/53/948763353.db2.gz IZHSGZDUZKWXPP-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574679129 948767785 /nfs/dbraw/zinc/76/77/85/948767785.db2.gz OJGKYVFEMPVOLU-OXJKWZBOSA-N -1 1 388.432 0.015 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574679129 948767797 /nfs/dbraw/zinc/76/77/97/948767797.db2.gz OJGKYVFEMPVOLU-OXJKWZBOSA-N -1 1 388.432 0.015 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574679134 948767863 /nfs/dbraw/zinc/76/78/63/948767863.db2.gz OJWNFLUKMGARLB-QWRGUYRKSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574679134 948767875 /nfs/dbraw/zinc/76/78/75/948767875.db2.gz OJWNFLUKMGARLB-QWRGUYRKSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574915858 948771381 /nfs/dbraw/zinc/77/13/81/948771381.db2.gz YFUPIOHAJPNTME-NSHDSACASA-N -1 1 383.416 0.331 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574679245 948774639 /nfs/dbraw/zinc/77/46/39/948774639.db2.gz RCWBTASMBPQCHH-LBPRGKRZSA-N -1 1 389.464 0.074 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574679245 948774647 /nfs/dbraw/zinc/77/46/47/948774647.db2.gz RCWBTASMBPQCHH-LBPRGKRZSA-N -1 1 389.464 0.074 20 0 GCADMM CC(C)c1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574418477 948776718 /nfs/dbraw/zinc/77/67/18/948776718.db2.gz WUBKMBYJYMBKBS-LBPRGKRZSA-N -1 1 379.428 0.924 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574679359 948777170 /nfs/dbraw/zinc/77/71/70/948777170.db2.gz UCHLLENTBHZVGN-SNVBAGLBSA-N -1 1 383.420 0.594 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574679359 948777182 /nfs/dbraw/zinc/77/71/82/948777182.db2.gz UCHLLENTBHZVGN-SNVBAGLBSA-N -1 1 383.420 0.594 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001574679353 948777463 /nfs/dbraw/zinc/77/74/63/948777463.db2.gz TVMPKUBQDAFXSF-VXGBXAGGSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001574679353 948777473 /nfs/dbraw/zinc/77/74/73/948777473.db2.gz TVMPKUBQDAFXSF-VXGBXAGGSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c(Cl)cnn1C ZINC001574679346 948777995 /nfs/dbraw/zinc/77/79/95/948777995.db2.gz SZTSXSSJNGNPQM-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c(Cl)cnn1C ZINC001574679346 948778011 /nfs/dbraw/zinc/77/80/11/948778011.db2.gz SZTSXSSJNGNPQM-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755828 948787346 /nfs/dbraw/zinc/78/73/46/948787346.db2.gz JCVJBTJFEHRAQI-MFKMUULPSA-N -1 1 381.400 0.999 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574679589 948787701 /nfs/dbraw/zinc/78/77/01/948787701.db2.gz YJSFSBYFNLCKBK-WCFLWFBJSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574679589 948787720 /nfs/dbraw/zinc/78/77/20/948787720.db2.gz YJSFSBYFNLCKBK-WCFLWFBJSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574679572 948788259 /nfs/dbraw/zinc/78/82/59/948788259.db2.gz YDXYQRPGHDXIGH-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574679572 948788266 /nfs/dbraw/zinc/78/82/66/948788266.db2.gz YDXYQRPGHDXIGH-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001574080463 948793159 /nfs/dbraw/zinc/79/31/59/948793159.db2.gz LIXHXUJAPVSRIO-SMDDNHRTSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001574080463 948793174 /nfs/dbraw/zinc/79/31/74/948793174.db2.gz LIXHXUJAPVSRIO-SMDDNHRTSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001574080462 948794498 /nfs/dbraw/zinc/79/44/98/948794498.db2.gz LIXHXUJAPVSRIO-RISCZKNCSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001574080462 948794510 /nfs/dbraw/zinc/79/45/10/948794510.db2.gz LIXHXUJAPVSRIO-RISCZKNCSA-N -1 1 378.412 0.362 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574680071 948796821 /nfs/dbraw/zinc/79/68/21/948796821.db2.gz CYYYCFIKVBCXKV-SNVBAGLBSA-N -1 1 382.432 0.879 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574680071 948796834 /nfs/dbraw/zinc/79/68/34/948796834.db2.gz CYYYCFIKVBCXKV-SNVBAGLBSA-N -1 1 382.432 0.879 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)C(C)(C)C ZINC001574679908 948797524 /nfs/dbraw/zinc/79/75/24/948797524.db2.gz BIIAUOIPZXOSQQ-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)C(C)(C)C ZINC001574679908 948797531 /nfs/dbraw/zinc/79/75/31/948797531.db2.gz BIIAUOIPZXOSQQ-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)c1cccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)c1 ZINC001574420544 948801823 /nfs/dbraw/zinc/80/18/23/948801823.db2.gz XPRJUHFCJKAWEK-HZPDHXFCSA-N -1 1 394.439 0.760 20 0 GCADMM CC(C)c1cccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)c1 ZINC001574420544 948801836 /nfs/dbraw/zinc/80/18/36/948801836.db2.gz XPRJUHFCJKAWEK-HZPDHXFCSA-N -1 1 394.439 0.760 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574680321 948804032 /nfs/dbraw/zinc/80/40/32/948804032.db2.gz GBTQZPOFJDVEMY-ABAIWWIYSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574680321 948804042 /nfs/dbraw/zinc/80/40/42/948804042.db2.gz GBTQZPOFJDVEMY-ABAIWWIYSA-N -1 1 380.412 0.967 20 0 GCADMM CC(C)c1ccccc1OCC(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001574420806 948804300 /nfs/dbraw/zinc/80/43/00/948804300.db2.gz ALMOKCNGZDXRQG-UHFFFAOYSA-N -1 1 382.428 0.809 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCC(=O)N(C)C ZINC001574680866 948807759 /nfs/dbraw/zinc/80/77/59/948807759.db2.gz JHEOLORQWBVGGC-NSHDSACASA-N -1 1 375.437 0.222 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCC(=O)N(C)C ZINC001574680866 948807776 /nfs/dbraw/zinc/80/77/76/948807776.db2.gz JHEOLORQWBVGGC-NSHDSACASA-N -1 1 375.437 0.222 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574420827 948807906 /nfs/dbraw/zinc/80/79/06/948807906.db2.gz AYNLLYOEUJWDCO-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574420827 948807922 /nfs/dbraw/zinc/80/79/22/948807922.db2.gz AYNLLYOEUJWDCO-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001574680849 948810072 /nfs/dbraw/zinc/81/00/72/948810072.db2.gz ITRITIWQPBASDY-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001574680849 948810089 /nfs/dbraw/zinc/81/00/89/948810089.db2.gz ITRITIWQPBASDY-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COC[C@H]1CCCO1 ZINC001574681341 948814081 /nfs/dbraw/zinc/81/40/81/948814081.db2.gz LRSODLJGNXJXHQ-NWDGAFQWSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COC[C@H]1CCCO1 ZINC001574681341 948814094 /nfs/dbraw/zinc/81/40/94/948814094.db2.gz LRSODLJGNXJXHQ-NWDGAFQWSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574681347 948817938 /nfs/dbraw/zinc/81/79/38/948817938.db2.gz LTAFEODTENFQFN-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574681347 948817952 /nfs/dbraw/zinc/81/79/52/948817952.db2.gz LTAFEODTENFQFN-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001573756476 948821485 /nfs/dbraw/zinc/82/14/85/948821485.db2.gz SKAABCZWUUKBOU-SCZZXKLOSA-N -1 1 380.409 0.392 20 0 GCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001573756476 948821504 /nfs/dbraw/zinc/82/15/04/948821504.db2.gz SKAABCZWUUKBOU-SCZZXKLOSA-N -1 1 380.409 0.392 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574682154 948825243 /nfs/dbraw/zinc/82/52/43/948825243.db2.gz PBZLAGKBXKUKRQ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574682154 948825257 /nfs/dbraw/zinc/82/52/57/948825257.db2.gz PBZLAGKBXKUKRQ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn2c1OCCC2 ZINC001574682201 948828625 /nfs/dbraw/zinc/82/86/25/948828625.db2.gz PTVJZQGYURTVLW-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn2c1OCCC2 ZINC001574682201 948828644 /nfs/dbraw/zinc/82/86/44/948828644.db2.gz PTVJZQGYURTVLW-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574683267 948844118 /nfs/dbraw/zinc/84/41/18/948844118.db2.gz WXMIUPYXFMPOTD-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574683267 948844133 /nfs/dbraw/zinc/84/41/33/948844133.db2.gz WXMIUPYXFMPOTD-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc(Cl)n1C ZINC001574683269 948846547 /nfs/dbraw/zinc/84/65/47/948846547.db2.gz XCFKEBYDBKAICF-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc(Cl)n1C ZINC001574683269 948846558 /nfs/dbraw/zinc/84/65/58/948846558.db2.gz XCFKEBYDBKAICF-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)c1csc(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001574424960 948867065 /nfs/dbraw/zinc/86/70/65/948867065.db2.gz YQBUOIAIUVPSJR-UHFFFAOYSA-N -1 1 390.429 0.415 20 0 GCADMM CC(C)c1nc([C@H](CO)NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cs1 ZINC001574425485 948874472 /nfs/dbraw/zinc/87/44/72/948874472.db2.gz GBEMPWZJETZHSY-BDAKNGLRSA-N -1 1 377.434 0.449 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574426488 948887340 /nfs/dbraw/zinc/88/73/40/948887340.db2.gz RVJPKNBHPAYLMC-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574426488 948887351 /nfs/dbraw/zinc/88/73/51/948887351.db2.gz RVJPKNBHPAYLMC-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H](C)CC(N)=O ZINC001574684870 948890500 /nfs/dbraw/zinc/89/05/00/948890500.db2.gz OBGJQOVTUAMCHB-RNFRBKRXSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574684915 948897166 /nfs/dbraw/zinc/89/71/66/948897166.db2.gz PDVWPFYEADJDSU-XVMARJQXSA-N -1 1 384.853 0.405 20 0 GCADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCCOCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574087856 948901285 /nfs/dbraw/zinc/90/12/85/948901285.db2.gz BJSRSELDEXTJIT-ACJLOTCBSA-N -1 1 388.476 0.908 20 0 GCADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCCOCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574087856 948901297 /nfs/dbraw/zinc/90/12/97/948901297.db2.gz BJSRSELDEXTJIT-ACJLOTCBSA-N -1 1 388.476 0.908 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234448 948903078 /nfs/dbraw/zinc/90/30/78/948903078.db2.gz CVOODJBOEHCWKX-JTQLQIEISA-N -1 1 382.375 0.153 20 0 GCADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573765342 948904568 /nfs/dbraw/zinc/90/45/68/948904568.db2.gz ZAQNOUIMONUZOB-OLZOCXBDSA-N -1 1 386.460 0.687 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)s1 ZINC001574427623 948906019 /nfs/dbraw/zinc/90/60/19/948906019.db2.gz JWSVFLWFCQQVSU-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)s1 ZINC001574427623 948906034 /nfs/dbraw/zinc/90/60/34/948906034.db2.gz JWSVFLWFCQQVSU-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235140 948912401 /nfs/dbraw/zinc/91/24/01/948912401.db2.gz JIHNZJJBPMAISH-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235140 948912414 /nfs/dbraw/zinc/91/24/14/948912414.db2.gz JIHNZJJBPMAISH-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574432440 948932231 /nfs/dbraw/zinc/93/22/31/948932231.db2.gz JPROQHDWHDJBSO-LLVKDONJSA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574432440 948932243 /nfs/dbraw/zinc/93/22/43/948932243.db2.gz JPROQHDWHDJBSO-LLVKDONJSA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)(C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573771032 948933366 /nfs/dbraw/zinc/93/33/66/948933366.db2.gz ABZPAJFEKPIMSI-UHFFFAOYSA-N -1 1 382.432 0.086 20 0 GCADMM C[C@H](CNC(=O)CCn1cncn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923327 948944739 /nfs/dbraw/zinc/94/47/39/948944739.db2.gz JVBJAUBOFOJHBO-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@H](CNC(=O)CCn1cncn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923327 948944751 /nfs/dbraw/zinc/94/47/51/948944751.db2.gz JVBJAUBOFOJHBO-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574433119 948945510 /nfs/dbraw/zinc/94/55/10/948945510.db2.gz HSBYBHRJNTUNTB-UHFFFAOYSA-N -1 1 382.432 0.310 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574433090 948946354 /nfs/dbraw/zinc/94/63/54/948946354.db2.gz GCJRBUMAORJZLZ-UHFFFAOYSA-N -1 1 382.432 0.476 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574433090 948946363 /nfs/dbraw/zinc/94/63/63/948946363.db2.gz GCJRBUMAORJZLZ-UHFFFAOYSA-N -1 1 382.432 0.476 20 0 GCADMM CC(C)c1ncncc1C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574433351 948952873 /nfs/dbraw/zinc/95/28/73/948952873.db2.gz VUBJOAZHXJZJRY-UHFFFAOYSA-N -1 1 382.432 0.779 20 0 GCADMM CC(C)c1ncncc1C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574433351 948952888 /nfs/dbraw/zinc/95/28/88/948952888.db2.gz VUBJOAZHXJZJRY-UHFFFAOYSA-N -1 1 382.432 0.779 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574433321 948953723 /nfs/dbraw/zinc/95/37/23/948953723.db2.gz UJUXONFAGBLPNJ-ATCWAGBWSA-N -1 1 392.427 0.435 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574433321 948953731 /nfs/dbraw/zinc/95/37/31/948953731.db2.gz UJUXONFAGBLPNJ-ATCWAGBWSA-N -1 1 392.427 0.435 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089487 948955283 /nfs/dbraw/zinc/95/52/83/948955283.db2.gz HUEISKDCXLZJEM-KBPBESRZSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574089505 948957253 /nfs/dbraw/zinc/95/72/53/948957253.db2.gz HXCTUKFVTRLURA-ZIAGYGMSSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574089505 948957264 /nfs/dbraw/zinc/95/72/64/948957264.db2.gz HXCTUKFVTRLURA-ZIAGYGMSSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433610 948959639 /nfs/dbraw/zinc/95/96/39/948959639.db2.gz YXYZNRKLLKTSKT-LLVKDONJSA-N -1 1 380.416 0.579 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575239418 948962269 /nfs/dbraw/zinc/96/22/69/948962269.db2.gz RPNZLVURGGDSGD-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574924108 948965774 /nfs/dbraw/zinc/96/57/74/948965774.db2.gz WCTGCHCPFXZTDH-JTQLQIEISA-N -1 1 390.839 0.538 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574924108 948965781 /nfs/dbraw/zinc/96/57/81/948965781.db2.gz WCTGCHCPFXZTDH-JTQLQIEISA-N -1 1 390.839 0.538 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575240089 948966264 /nfs/dbraw/zinc/96/62/64/948966264.db2.gz YXZLPUOPTRQLEL-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575240089 948966280 /nfs/dbraw/zinc/96/62/80/948966280.db2.gz YXZLPUOPTRQLEL-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433933 948970519 /nfs/dbraw/zinc/97/05/19/948970519.db2.gz WQHUVFFMFJEALO-SNVBAGLBSA-N -1 1 385.457 0.985 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574925733 948975393 /nfs/dbraw/zinc/97/53/93/948975393.db2.gz CSCHVKUEFKBIHR-LBPRGKRZSA-N -1 1 387.448 0.000 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574925733 948975402 /nfs/dbraw/zinc/97/54/02/948975402.db2.gz CSCHVKUEFKBIHR-LBPRGKRZSA-N -1 1 387.448 0.000 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCOCC1 ZINC001573773158 948977958 /nfs/dbraw/zinc/97/79/58/948977958.db2.gz ILKBMONWOHEQOC-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCOCC1 ZINC001573773158 948977968 /nfs/dbraw/zinc/97/79/68/948977968.db2.gz ILKBMONWOHEQOC-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573773409 948982695 /nfs/dbraw/zinc/98/26/95/948982695.db2.gz BFPPJDIJBRNKCC-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573773409 948982709 /nfs/dbraw/zinc/98/27/09/948982709.db2.gz BFPPJDIJBRNKCC-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926177 948988598 /nfs/dbraw/zinc/98/85/98/948988598.db2.gz KCTXUIBXXYAWHM-LBPRGKRZSA-N -1 1 387.448 0.000 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926177 948988617 /nfs/dbraw/zinc/98/86/17/948988617.db2.gz KCTXUIBXXYAWHM-LBPRGKRZSA-N -1 1 387.448 0.000 20 0 GCADMM CC(C)c1nnc(N2CCc3[nH]c(=O)c(-c4nn[n-]n4)cc3C2)n1CC1(O)CC1 ZINC001574435037 948991505 /nfs/dbraw/zinc/99/15/05/948991505.db2.gz QFMCTDSMHUQOEO-UHFFFAOYSA-N -1 1 397.443 0.770 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1nccnc1-c1nnn[n-]1 ZINC001574926272 948993145 /nfs/dbraw/zinc/99/31/45/948993145.db2.gz MINVKWVVHMZFTF-GFCCVEGCSA-N -1 1 387.448 0.224 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1nccnc1-c1nn[n-]n1 ZINC001574926272 948993158 /nfs/dbraw/zinc/99/31/58/948993158.db2.gz MINVKWVVHMZFTF-GFCCVEGCSA-N -1 1 387.448 0.224 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574689760 948993619 /nfs/dbraw/zinc/99/36/19/948993619.db2.gz LKTZJOFDGYDUCZ-DGCLKSJQSA-N -1 1 379.428 0.773 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574689760 948993635 /nfs/dbraw/zinc/99/36/35/948993635.db2.gz LKTZJOFDGYDUCZ-DGCLKSJQSA-N -1 1 379.428 0.773 20 0 GCADMM CC(C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435551 948994820 /nfs/dbraw/zinc/99/48/20/948994820.db2.gz VTCVUMGFBBXZPL-NSHDSACASA-N -1 1 385.432 0.925 20 0 GCADMM CC(C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435551 948994830 /nfs/dbraw/zinc/99/48/30/948994830.db2.gz VTCVUMGFBBXZPL-NSHDSACASA-N -1 1 385.432 0.925 20 0 GCADMM CC(C)[C@@H]1CCCCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574091053 949003146 /nfs/dbraw/zinc/00/31/46/949003146.db2.gz MQYUKSGAGPJGFE-ZDUSSCGKSA-N -1 1 375.433 0.946 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574690711 949004565 /nfs/dbraw/zinc/00/45/65/949004565.db2.gz QDEAPPDDRIYSLL-GHMZBOCLSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574690711 949004578 /nfs/dbraw/zinc/00/45/78/949004578.db2.gz QDEAPPDDRIYSLL-GHMZBOCLSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575501312 949008251 /nfs/dbraw/zinc/00/82/51/949008251.db2.gz FYCBEGZHJQIQPP-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575501312 949008266 /nfs/dbraw/zinc/00/82/66/949008266.db2.gz FYCBEGZHJQIQPP-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1CCC1 ZINC001573774537 949010877 /nfs/dbraw/zinc/01/08/77/949010877.db2.gz UTXDRFPRFXCEJA-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1CCC1 ZINC001573774537 949010893 /nfs/dbraw/zinc/01/08/93/949010893.db2.gz UTXDRFPRFXCEJA-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574439785 949011372 /nfs/dbraw/zinc/01/13/72/949011372.db2.gz IGXMVMUHJWSQIS-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574439785 949011391 /nfs/dbraw/zinc/01/13/91/949011391.db2.gz IGXMVMUHJWSQIS-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1CCC1 ZINC001573774534 949011336 /nfs/dbraw/zinc/01/13/36/949011336.db2.gz UTXDRFPRFXCEJA-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1CCC1 ZINC001573774534 949011354 /nfs/dbraw/zinc/01/13/54/949011354.db2.gz UTXDRFPRFXCEJA-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCO1 ZINC001573774662 949015909 /nfs/dbraw/zinc/01/59/09/949015909.db2.gz PZFWDYNPHRALJR-WCQYABFASA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCO1 ZINC001573774662 949015928 /nfs/dbraw/zinc/01/59/28/949015928.db2.gz PZFWDYNPHRALJR-WCQYABFASA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574439838 949017028 /nfs/dbraw/zinc/01/70/28/949017028.db2.gz JWPFTXMHGWXGIS-SECBINFHSA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574439838 949017044 /nfs/dbraw/zinc/01/70/44/949017044.db2.gz JWPFTXMHGWXGIS-SECBINFHSA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574439852 949018866 /nfs/dbraw/zinc/01/88/66/949018866.db2.gz KPABRKXSOODLFO-UHFFFAOYSA-N -1 1 386.445 0.594 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574439852 949018888 /nfs/dbraw/zinc/01/88/88/949018888.db2.gz KPABRKXSOODLFO-UHFFFAOYSA-N -1 1 386.445 0.594 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C1CCC1 ZINC001573774858 949022178 /nfs/dbraw/zinc/02/21/78/949022178.db2.gz XKPYMUDQHGAEED-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C1CCC1 ZINC001573774858 949022195 /nfs/dbraw/zinc/02/21/95/949022195.db2.gz XKPYMUDQHGAEED-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574926813 949023274 /nfs/dbraw/zinc/02/32/74/949023274.db2.gz XXOUIJFPYRIAFI-ZDUSSCGKSA-N -1 1 381.444 0.379 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575502290 949023897 /nfs/dbraw/zinc/02/38/97/949023897.db2.gz JXQGPDNLYJCMLX-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575502287 949024023 /nfs/dbraw/zinc/02/40/23/949024023.db2.gz JXQGPDNLYJCMLX-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM CC(C)c1noc(CCC(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574440106 949024185 /nfs/dbraw/zinc/02/41/85/949024185.db2.gz NQIOSPWEZZDHMO-UHFFFAOYSA-N -1 1 386.420 0.348 20 0 GCADMM CC(C)c1noc(CCC(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574440106 949024199 /nfs/dbraw/zinc/02/41/99/949024199.db2.gz NQIOSPWEZZDHMO-UHFFFAOYSA-N -1 1 386.420 0.348 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575502210 949024402 /nfs/dbraw/zinc/02/44/02/949024402.db2.gz ISXMCGREQLMWTC-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575502210 949024427 /nfs/dbraw/zinc/02/44/27/949024427.db2.gz ISXMCGREQLMWTC-SRVKXCTJSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001575245413 949026267 /nfs/dbraw/zinc/02/62/67/949026267.db2.gz BKGFDWFVFXYXNM-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001575245413 949026287 /nfs/dbraw/zinc/02/62/87/949026287.db2.gz BKGFDWFVFXYXNM-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](c1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC001575502545 949027572 /nfs/dbraw/zinc/02/75/72/949027572.db2.gz HHFOSUBHOQMRQE-LLVKDONJSA-N -1 1 381.396 0.917 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574926973 949029576 /nfs/dbraw/zinc/02/95/76/949029576.db2.gz DRZSOWVBPSLFEE-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574926973 949029596 /nfs/dbraw/zinc/02/95/96/949029596.db2.gz DRZSOWVBPSLFEE-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574927156 949033754 /nfs/dbraw/zinc/03/37/54/949033754.db2.gz GHCHRBCMUCJCCZ-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574927156 949033775 /nfs/dbraw/zinc/03/37/75/949033775.db2.gz GHCHRBCMUCJCCZ-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574440849 949036473 /nfs/dbraw/zinc/03/64/73/949036473.db2.gz WOOOBHFYPNXEAM-BDAKNGLRSA-N -1 1 388.461 0.672 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575246990 949038367 /nfs/dbraw/zinc/03/83/67/949038367.db2.gz HRRYELSQWPRMCJ-GHMZBOCLSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575247130 949043670 /nfs/dbraw/zinc/04/36/70/949043670.db2.gz IJTAOSMCVHXANV-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575247130 949043651 /nfs/dbraw/zinc/04/36/51/949043651.db2.gz IJTAOSMCVHXANV-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccccc1=O ZINC001574693200 949052933 /nfs/dbraw/zinc/05/29/33/949052933.db2.gz CDVYNFJTTWZABD-GFCCVEGCSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccccc1=O ZINC001574693200 949052952 /nfs/dbraw/zinc/05/29/52/949052952.db2.gz CDVYNFJTTWZABD-GFCCVEGCSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575247954 949054652 /nfs/dbraw/zinc/05/46/52/949054652.db2.gz MBSLQLDMZAZEJZ-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575247954 949054671 /nfs/dbraw/zinc/05/46/71/949054671.db2.gz MBSLQLDMZAZEJZ-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574092250 949056441 /nfs/dbraw/zinc/05/64/41/949056441.db2.gz MVYRYFDSSYLWSB-STQMWFEESA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574092250 949056461 /nfs/dbraw/zinc/05/64/61/949056461.db2.gz MVYRYFDSSYLWSB-STQMWFEESA-N -1 1 386.460 0.714 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575504005 949057720 /nfs/dbraw/zinc/05/77/20/949057720.db2.gz QTGDPCWSNHGUSF-GFCCVEGCSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575504005 949057738 /nfs/dbraw/zinc/05/77/38/949057738.db2.gz QTGDPCWSNHGUSF-GFCCVEGCSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575504035 949059333 /nfs/dbraw/zinc/05/93/33/949059333.db2.gz QYUMMTMHZKJJTI-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575504035 949059353 /nfs/dbraw/zinc/05/93/53/949059353.db2.gz QYUMMTMHZKJJTI-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573779457 949062859 /nfs/dbraw/zinc/06/28/59/949062859.db2.gz IPVGRQJPULXSQB-HNNXBMFYSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573779457 949062876 /nfs/dbraw/zinc/06/28/76/949062876.db2.gz IPVGRQJPULXSQB-HNNXBMFYSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574441727 949070152 /nfs/dbraw/zinc/07/01/52/949070152.db2.gz UWAQMYZDYOJYGV-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574441727 949070167 /nfs/dbraw/zinc/07/01/67/949070167.db2.gz UWAQMYZDYOJYGV-NSHDSACASA-N -1 1 386.416 0.918 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NC/C=C/CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575504480 949074091 /nfs/dbraw/zinc/07/40/91/949074091.db2.gz VMMUCUVOKYPSKO-QAVQXKDTSA-N -1 1 381.400 0.025 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C(F)F ZINC001573780198 949079693 /nfs/dbraw/zinc/07/96/93/949079693.db2.gz SFJDYMAUCDQZOU-OWUUHHOZSA-N -1 1 378.387 0.746 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C(F)F ZINC001573780198 949079707 /nfs/dbraw/zinc/07/97/07/949079707.db2.gz SFJDYMAUCDQZOU-OWUUHHOZSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574694592 949082042 /nfs/dbraw/zinc/08/20/42/949082042.db2.gz SEZZSMZWHRMPHG-QYNIQEEDSA-N -1 1 384.853 0.405 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574694592 949082065 /nfs/dbraw/zinc/08/20/65/949082065.db2.gz SEZZSMZWHRMPHG-QYNIQEEDSA-N -1 1 384.853 0.405 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574929290 949087098 /nfs/dbraw/zinc/08/70/98/949087098.db2.gz CFVQCYOHYDHRMF-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1ccccc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249178 949091205 /nfs/dbraw/zinc/09/12/05/949091205.db2.gz XCGDXJQUXWNCMU-QWRGUYRKSA-N -1 1 381.400 0.601 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1ccccc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249178 949091189 /nfs/dbraw/zinc/09/11/89/949091189.db2.gz XCGDXJQUXWNCMU-QWRGUYRKSA-N -1 1 381.400 0.601 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249260 949092675 /nfs/dbraw/zinc/09/26/75/949092675.db2.gz YOPJQXCEOTZIMU-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249260 949092657 /nfs/dbraw/zinc/09/26/57/949092657.db2.gz YOPJQXCEOTZIMU-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)c1nocc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574442737 949102754 /nfs/dbraw/zinc/10/27/54/949102754.db2.gz SRZPPONYMOVKHU-LLVKDONJSA-N -1 1 383.416 0.764 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574695195 949102960 /nfs/dbraw/zinc/10/29/60/949102960.db2.gz DVIVORWTINBAND-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574695195 949102974 /nfs/dbraw/zinc/10/29/74/949102974.db2.gz DVIVORWTINBAND-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM CC(C)c1nocc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574442738 949104115 /nfs/dbraw/zinc/10/41/15/949104115.db2.gz SRZPPONYMOVKHU-NSHDSACASA-N -1 1 383.416 0.764 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574930220 949104847 /nfs/dbraw/zinc/10/48/47/949104847.db2.gz JXKHZDQFPJJUJX-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574930220 949104859 /nfs/dbraw/zinc/10/48/59/949104859.db2.gz JXKHZDQFPJJUJX-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574930656 949107122 /nfs/dbraw/zinc/10/71/22/949107122.db2.gz LEYDXBKFUGOUBT-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574930656 949107105 /nfs/dbraw/zinc/10/71/05/949107105.db2.gz LEYDXBKFUGOUBT-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574695232 949109445 /nfs/dbraw/zinc/10/94/45/949109445.db2.gz FSXYLOWWSLTIFY-IJLUTSLNSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574695232 949109461 /nfs/dbraw/zinc/10/94/61/949109461.db2.gz FSXYLOWWSLTIFY-IJLUTSLNSA-N -1 1 382.432 0.501 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(F)F ZINC001573781477 949109623 /nfs/dbraw/zinc/10/96/23/949109623.db2.gz HQCXCQSKGGAEGZ-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)[C@@H]1C[C@@H](CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574093555 949109907 /nfs/dbraw/zinc/10/99/07/949109907.db2.gz SSOZHFOUDYBDRH-AAEUAGOBSA-N -1 1 391.432 0.087 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574443309 949109985 /nfs/dbraw/zinc/10/99/85/949109985.db2.gz XNAZZSFFYSSMOS-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574445750 949113071 /nfs/dbraw/zinc/11/30/71/949113071.db2.gz BIPUALROLZFSTI-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574445750 949113079 /nfs/dbraw/zinc/11/30/79/949113079.db2.gz BIPUALROLZFSTI-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001574445810 949116042 /nfs/dbraw/zinc/11/60/42/949116042.db2.gz DQEVWYWOPBDVOC-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001574445810 949116053 /nfs/dbraw/zinc/11/60/53/949116053.db2.gz DQEVWYWOPBDVOC-CHWSQXEVSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1nn(C)cc1Cl ZINC001574695830 949117058 /nfs/dbraw/zinc/11/70/58/949117058.db2.gz KGBRGZATMGADFP-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1nn(C)cc1Cl ZINC001574695830 949117067 /nfs/dbraw/zinc/11/70/67/949117067.db2.gz KGBRGZATMGADFP-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574931451 949118430 /nfs/dbraw/zinc/11/84/30/949118430.db2.gz PHWVQVJDFDXCJP-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574931451 949118436 /nfs/dbraw/zinc/11/84/36/949118436.db2.gz PHWVQVJDFDXCJP-GFCCVEGCSA-N -1 1 383.416 0.433 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446169 949118835 /nfs/dbraw/zinc/11/88/35/949118835.db2.gz IZCDPUNUHLIJNL-MNOVXSKESA-N -1 1 383.416 0.763 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)CCCC(N)=O ZINC001574695926 949120687 /nfs/dbraw/zinc/12/06/87/949120687.db2.gz KTMYQENMXVSTRD-SSDOTTSWSA-N -1 1 386.869 0.939 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)CCCC(N)=O ZINC001574695926 949120704 /nfs/dbraw/zinc/12/07/04/949120704.db2.gz KTMYQENMXVSTRD-SSDOTTSWSA-N -1 1 386.869 0.939 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574696228 949123474 /nfs/dbraw/zinc/12/34/74/949123474.db2.gz OBTSXWAAANSNSG-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cn1cc(Cl)cn1 ZINC001574696228 949123482 /nfs/dbraw/zinc/12/34/82/949123482.db2.gz OBTSXWAAANSNSG-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C)nc1Cl ZINC001574696197 949125163 /nfs/dbraw/zinc/12/51/63/949125163.db2.gz MRFSKOVXNPTCHF-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C)nc1Cl ZINC001574696197 949125179 /nfs/dbraw/zinc/12/51/79/949125179.db2.gz MRFSKOVXNPTCHF-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574094117 949127398 /nfs/dbraw/zinc/12/73/98/949127398.db2.gz XLZFATUVHHEERZ-OLZOCXBDSA-N -1 1 386.460 0.448 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574696402 949128352 /nfs/dbraw/zinc/12/83/52/949128352.db2.gz POOGGZCRORCPNQ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574696402 949128365 /nfs/dbraw/zinc/12/83/65/949128365.db2.gz POOGGZCRORCPNQ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574932196 949133738 /nfs/dbraw/zinc/13/37/38/949133738.db2.gz VUUSYYQRWYFYRY-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574932196 949133760 /nfs/dbraw/zinc/13/37/60/949133760.db2.gz VUUSYYQRWYFYRY-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001574446653 949136486 /nfs/dbraw/zinc/13/64/86/949136486.db2.gz VCAJNUMMNCWSOB-VXGBXAGGSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001574446653 949136500 /nfs/dbraw/zinc/13/65/00/949136500.db2.gz VCAJNUMMNCWSOB-VXGBXAGGSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574094635 949139867 /nfs/dbraw/zinc/13/98/67/949139867.db2.gz ZFSQYLSHBIHLED-OLZOCXBDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574094635 949139875 /nfs/dbraw/zinc/13/98/75/949139875.db2.gz ZFSQYLSHBIHLED-OLZOCXBDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001574446827 949141168 /nfs/dbraw/zinc/14/11/68/949141168.db2.gz XSIJYXMCTXYZSU-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574446827 949141181 /nfs/dbraw/zinc/14/11/81/949141181.db2.gz XSIJYXMCTXYZSU-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001574696802 949143374 /nfs/dbraw/zinc/14/33/74/949143374.db2.gz UQUARHVKQJTMJC-SFYZADRCSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001574696802 949143385 /nfs/dbraw/zinc/14/33/85/949143385.db2.gz UQUARHVKQJTMJC-SFYZADRCSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2n1CCCC2 ZINC001574697048 949148294 /nfs/dbraw/zinc/14/82/94/949148294.db2.gz XRJJJOZSKQDGCZ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2n1CCCC2 ZINC001574697048 949148301 /nfs/dbraw/zinc/14/83/01/949148301.db2.gz XRJJJOZSKQDGCZ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574697025 949148370 /nfs/dbraw/zinc/14/83/70/949148370.db2.gz XKFGRXVIMOJCSI-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574697025 949148384 /nfs/dbraw/zinc/14/83/84/949148384.db2.gz XKFGRXVIMOJCSI-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncc2ccccn21 ZINC001574697191 949149541 /nfs/dbraw/zinc/14/95/41/949149541.db2.gz ZUQRRGWTBJQAFS-NSHDSACASA-N -1 1 378.400 0.925 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncc2ccccn21 ZINC001574697191 949149561 /nfs/dbraw/zinc/14/95/61/949149561.db2.gz ZUQRRGWTBJQAFS-NSHDSACASA-N -1 1 378.400 0.925 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574697167 949151518 /nfs/dbraw/zinc/15/15/18/949151518.db2.gz ZITGVSYUQIMJFU-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574697167 949151529 /nfs/dbraw/zinc/15/15/29/949151529.db2.gz ZITGVSYUQIMJFU-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C1CCCC1 ZINC001573786897 949153396 /nfs/dbraw/zinc/15/33/96/949153396.db2.gz CQOVDYFJVAJQIE-OLZOCXBDSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C1CCCC1 ZINC001573786897 949153407 /nfs/dbraw/zinc/15/34/07/949153407.db2.gz CQOVDYFJVAJQIE-OLZOCXBDSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCOCC1 ZINC001573787073 949162113 /nfs/dbraw/zinc/16/21/13/949162113.db2.gz LZFOPGKTTLMDEX-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCOCC1 ZINC001573787073 949162130 /nfs/dbraw/zinc/16/21/30/949162130.db2.gz LZFOPGKTTLMDEX-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573787307 949174842 /nfs/dbraw/zinc/17/48/42/949174842.db2.gz SLWINPRZNLZGRR-AVGNSLFASA-N -1 1 386.460 0.733 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934753 949176794 /nfs/dbraw/zinc/17/67/94/949176794.db2.gz PVSJXHVHRFCWBX-VIFPVBQESA-N -1 1 390.354 0.352 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698190 949180380 /nfs/dbraw/zinc/18/03/80/949180380.db2.gz HBCNAJLPCTYSHZ-STQMWFEESA-N -1 1 382.428 0.805 20 0 GCADMM CC(C)c1oncc1C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574448851 949191800 /nfs/dbraw/zinc/19/18/00/949191800.db2.gz NKYGCLZAYJMQBP-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1oncc1C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574448851 949191811 /nfs/dbraw/zinc/19/18/11/949191811.db2.gz NKYGCLZAYJMQBP-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1oncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001574448816 949192186 /nfs/dbraw/zinc/19/21/86/949192186.db2.gz MPOPTCKXKMTALT-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698519 949195832 /nfs/dbraw/zinc/19/58/32/949195832.db2.gz MGOINIQTWSGREH-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698519 949195847 /nfs/dbraw/zinc/19/58/47/949195847.db2.gz MGOINIQTWSGREH-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM CC(C)(C(N)=O)C(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573788263 949196744 /nfs/dbraw/zinc/19/67/44/949196744.db2.gz JKZLEHNKNZYLQJ-LLVKDONJSA-N -1 1 387.448 0.209 20 0 GCADMM CC(C)(C(N)=O)C(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573788263 949196757 /nfs/dbraw/zinc/19/67/57/949196757.db2.gz JKZLEHNKNZYLQJ-LLVKDONJSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698725 949201688 /nfs/dbraw/zinc/20/16/88/949201688.db2.gz OAYRHZXSUGHKRO-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698725 949201708 /nfs/dbraw/zinc/20/17/08/949201708.db2.gz OAYRHZXSUGHKRO-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698654 949202261 /nfs/dbraw/zinc/20/22/61/949202261.db2.gz NLWMWJZGNDFCFA-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698654 949202273 /nfs/dbraw/zinc/20/22/73/949202273.db2.gz NLWMWJZGNDFCFA-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575254488 949204759 /nfs/dbraw/zinc/20/47/59/949204759.db2.gz WIWXIHIIBWNUIU-VXGBXAGGSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575254488 949204771 /nfs/dbraw/zinc/20/47/71/949204771.db2.gz WIWXIHIIBWNUIU-VXGBXAGGSA-N -1 1 389.464 0.073 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001575853299 949210658 /nfs/dbraw/zinc/21/06/58/949210658.db2.gz NOPOQLCMOXKLAW-UHFFFAOYSA-N -1 1 389.807 0.827 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573788810 949214683 /nfs/dbraw/zinc/21/46/83/949214683.db2.gz YPACITJNXSZZQW-GHMZBOCLSA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573788810 949214706 /nfs/dbraw/zinc/21/47/06/949214706.db2.gz YPACITJNXSZZQW-GHMZBOCLSA-N -1 1 387.448 0.255 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698887 949214933 /nfs/dbraw/zinc/21/49/33/949214933.db2.gz PVJYQFHGDIAEFR-RYUDHWBXSA-N -1 1 383.416 0.200 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574451127 949215361 /nfs/dbraw/zinc/21/53/61/949215361.db2.gz CSTKFEJUHCJWMB-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574451127 949215385 /nfs/dbraw/zinc/21/53/85/949215385.db2.gz CSTKFEJUHCJWMB-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574936816 949219914 /nfs/dbraw/zinc/21/99/14/949219914.db2.gz LCIAZHDNOUBDSM-SNVBAGLBSA-N -1 1 383.416 0.351 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574451197 949220375 /nfs/dbraw/zinc/22/03/75/949220375.db2.gz GRHQPEDNDKXDHL-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574451197 949220401 /nfs/dbraw/zinc/22/04/01/949220401.db2.gz GRHQPEDNDKXDHL-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573788846 949221971 /nfs/dbraw/zinc/22/19/71/949221971.db2.gz ZZFLMVIYZPCXJA-NSHDSACASA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573788846 949221991 /nfs/dbraw/zinc/22/19/91/949221991.db2.gz ZZFLMVIYZPCXJA-NSHDSACASA-N -1 1 387.448 0.255 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001575854034 949224174 /nfs/dbraw/zinc/22/41/74/949224174.db2.gz YUZZDBVILIHRSG-GFCCVEGCSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001575854034 949224192 /nfs/dbraw/zinc/22/41/92/949224192.db2.gz YUZZDBVILIHRSG-GFCCVEGCSA-N -1 1 388.432 0.255 20 0 GCADMM C[C@@H]1CCC[C@]1(C)C(=O)N(C)CCOCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576151531 949227137 /nfs/dbraw/zinc/22/71/37/949227137.db2.gz GGYQKACMGLEMAD-ACJLOTCBSA-N -1 1 388.476 0.792 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574699215 949234210 /nfs/dbraw/zinc/23/42/10/949234210.db2.gz UFPJFDDBGVYUIV-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574699215 949234234 /nfs/dbraw/zinc/23/42/34/949234234.db2.gz UFPJFDDBGVYUIV-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001575854663 949238581 /nfs/dbraw/zinc/23/85/81/949238581.db2.gz ZJDAMVPKMGNKOK-MRXNPFEDSA-N -1 1 376.396 0.000 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574699437 949240540 /nfs/dbraw/zinc/24/05/40/949240540.db2.gz UWIKSSQJDUYREX-BQBZGAKWSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574699437 949240557 /nfs/dbraw/zinc/24/05/57/949240557.db2.gz UWIKSSQJDUYREX-BQBZGAKWSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2ncccc12)CNc1nccnc1-c1nnn[n-]1 ZINC001574938460 949242889 /nfs/dbraw/zinc/24/28/89/949242889.db2.gz WMGLKLWXXXMUPA-NSHDSACASA-N -1 1 392.427 0.940 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2ncccc12)CNc1nccnc1-c1nn[n-]n1 ZINC001574938460 949242910 /nfs/dbraw/zinc/24/29/10/949242910.db2.gz WMGLKLWXXXMUPA-NSHDSACASA-N -1 1 392.427 0.940 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574451927 949247272 /nfs/dbraw/zinc/24/72/72/949247272.db2.gz AWMVHESMRCAIFK-LBPRGKRZSA-N -1 1 382.432 0.430 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574699798 949248266 /nfs/dbraw/zinc/24/82/66/949248266.db2.gz XCNBYKICXCQETM-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574699798 949248289 /nfs/dbraw/zinc/24/82/89/949248289.db2.gz XCNBYKICXCQETM-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574700012 949249091 /nfs/dbraw/zinc/24/90/91/949249091.db2.gz XUGVMYDBFPGAQN-NEPJUHHUSA-N -1 1 383.416 0.200 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574451986 949251701 /nfs/dbraw/zinc/25/17/01/949251701.db2.gz DCOIMRXCMSSGNH-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452516 949261360 /nfs/dbraw/zinc/26/13/60/949261360.db2.gz LSYKEUCAOHEGDK-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)[C@H]1C ZINC001576152724 949261502 /nfs/dbraw/zinc/26/15/02/949261502.db2.gz KMDUYNFOTBPTFT-NRUUGDAUSA-N -1 1 388.432 0.520 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452880 949270470 /nfs/dbraw/zinc/27/04/70/949270470.db2.gz PHRNHFHKYZCTFT-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452880 949270495 /nfs/dbraw/zinc/27/04/95/949270495.db2.gz PHRNHFHKYZCTFT-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCn2cccn2)CC1 ZINC001575857750 949275912 /nfs/dbraw/zinc/27/59/12/949275912.db2.gz VBMDOBBUPMTVQB-UHFFFAOYSA-N -1 1 382.432 0.737 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCn2cccn2)CC1 ZINC001575857750 949275936 /nfs/dbraw/zinc/27/59/36/949275936.db2.gz VBMDOBBUPMTVQB-UHFFFAOYSA-N -1 1 382.432 0.737 20 0 GCADMM CC(C)n1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574452991 949280022 /nfs/dbraw/zinc/28/00/22/949280022.db2.gz URQNVRWLDKEUEK-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574452991 949280041 /nfs/dbraw/zinc/28/00/41/949280041.db2.gz URQNVRWLDKEUEK-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001574454761 949291256 /nfs/dbraw/zinc/29/12/56/949291256.db2.gz CQMZRHWJOCMURQ-ITGUQSILSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001574454761 949291272 /nfs/dbraw/zinc/29/12/72/949291272.db2.gz CQMZRHWJOCMURQ-ITGUQSILSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cn1 ZINC001574455350 949300950 /nfs/dbraw/zinc/30/09/50/949300950.db2.gz OCLDKGNXVPGFNJ-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cn1 ZINC001574455350 949300973 /nfs/dbraw/zinc/30/09/73/949300973.db2.gz OCLDKGNXVPGFNJ-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575258631 949306107 /nfs/dbraw/zinc/30/61/07/949306107.db2.gz JAKHQCQERSSQFL-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575258631 949306129 /nfs/dbraw/zinc/30/61/29/949306129.db2.gz JAKHQCQERSSQFL-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575258634 949308026 /nfs/dbraw/zinc/30/80/26/949308026.db2.gz JAKHQCQERSSQFL-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575258634 949308054 /nfs/dbraw/zinc/30/80/54/949308054.db2.gz JAKHQCQERSSQFL-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574457157 949314464 /nfs/dbraw/zinc/31/44/64/949314464.db2.gz ARTCRJWHRRDMJE-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574457229 949314999 /nfs/dbraw/zinc/31/49/99/949314999.db2.gz CNDCLSQKRAGAMT-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574457229 949315031 /nfs/dbraw/zinc/31/50/31/949315031.db2.gz CNDCLSQKRAGAMT-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)n1 ZINC001574457377 949324420 /nfs/dbraw/zinc/32/44/20/949324420.db2.gz JTCOLLGMIGSGBC-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)n1 ZINC001574457377 949324440 /nfs/dbraw/zinc/32/44/40/949324440.db2.gz JTCOLLGMIGSGBC-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574458098 949337862 /nfs/dbraw/zinc/33/78/62/949337862.db2.gz PAALYIAUWMQMSI-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574458098 949337883 /nfs/dbraw/zinc/33/78/83/949337883.db2.gz PAALYIAUWMQMSI-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)n1 ZINC001574458640 949340594 /nfs/dbraw/zinc/34/05/94/949340594.db2.gz VOIAZZNBUGMBBC-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)n1 ZINC001574458640 949340613 /nfs/dbraw/zinc/34/06/13/949340613.db2.gz VOIAZZNBUGMBBC-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942282 949341183 /nfs/dbraw/zinc/34/11/83/949341183.db2.gz NAJPZVHVUOOPQM-ZETCQYMHSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942282 949341199 /nfs/dbraw/zinc/34/11/99/949341199.db2.gz NAJPZVHVUOOPQM-ZETCQYMHSA-N -1 1 381.853 0.883 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001574458579 949343414 /nfs/dbraw/zinc/34/34/14/949343414.db2.gz TXXDQQPPLBFLCG-GXTWGEPZSA-N -1 1 394.443 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001574458579 949343432 /nfs/dbraw/zinc/34/34/32/949343432.db2.gz TXXDQQPPLBFLCG-GXTWGEPZSA-N -1 1 394.443 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574458800 949346937 /nfs/dbraw/zinc/34/69/37/949346937.db2.gz YSBYSKDTWNHXNT-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575260120 949347896 /nfs/dbraw/zinc/34/78/96/949347896.db2.gz UWOURTWIZIMDPC-NWDGAFQWSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575260120 949347919 /nfs/dbraw/zinc/34/79/19/949347919.db2.gz UWOURTWIZIMDPC-NWDGAFQWSA-N -1 1 386.416 0.266 20 0 GCADMM CC(C)CC(=O)N1CCOC2(CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001574110087 949350228 /nfs/dbraw/zinc/35/02/28/949350228.db2.gz PHQFATQLGPURJM-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(=O)N1CCOC2(CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001574110087 949350247 /nfs/dbraw/zinc/35/02/47/949350247.db2.gz PHQFATQLGPURJM-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(=O)N1CCOC2(CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001574110171 949354906 /nfs/dbraw/zinc/35/49/06/949354906.db2.gz TVOBQCFAXJRWPU-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(=O)N1CCOC2(CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001574110171 949354929 /nfs/dbraw/zinc/35/49/29/949354929.db2.gz TVOBQCFAXJRWPU-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574459838 949365834 /nfs/dbraw/zinc/36/58/34/949365834.db2.gz MAXDDBBCWJUFJR-JOCQHMNTSA-N -1 1 382.432 0.158 20 0 GCADMM C[C@H](CNC(=O)Cc1cc[nH]n1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574942720 949366482 /nfs/dbraw/zinc/36/64/82/949366482.db2.gz RSXPPXAKCVPTIH-SSDOTTSWSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@H](CNC(=O)Cc1cc[nH]n1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574942720 949366509 /nfs/dbraw/zinc/36/65/09/949366509.db2.gz RSXPPXAKCVPTIH-SSDOTTSWSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@H]1CCC[C@@H](OCC(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154963 949374799 /nfs/dbraw/zinc/37/47/99/949374799.db2.gz SLTWWOQMRUGJOS-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1cccc1C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574460187 949374967 /nfs/dbraw/zinc/37/49/67/949374967.db2.gz RXMWWDGJUSKDDK-UHFFFAOYSA-N -1 1 385.432 0.586 20 0 GCADMM CC(C)n1cccc1C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574460187 949374988 /nfs/dbraw/zinc/37/49/88/949374988.db2.gz RXMWWDGJUSKDDK-UHFFFAOYSA-N -1 1 385.432 0.586 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574460680 949378094 /nfs/dbraw/zinc/37/80/94/949378094.db2.gz XCHKHPNTPFSKOV-LBPRGKRZSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574460680 949378117 /nfs/dbraw/zinc/37/81/17/949378117.db2.gz XCHKHPNTPFSKOV-LBPRGKRZSA-N -1 1 385.432 0.584 20 0 GCADMM C[C@@H](CNC(=O)Cc1cncn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574944584 949399573 /nfs/dbraw/zinc/39/95/73/949399573.db2.gz FSNWJQGFQVVXKW-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)n1cnc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001574464330 949408848 /nfs/dbraw/zinc/40/88/48/949408848.db2.gz KXBJPFJMQXLFFF-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001574464330 949408855 /nfs/dbraw/zinc/40/88/55/949408855.db2.gz KXBJPFJMQXLFFF-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575263839 949411594 /nfs/dbraw/zinc/41/15/94/949411594.db2.gz KCZGMZPPXNNWTP-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574464600 949415224 /nfs/dbraw/zinc/41/52/24/949415224.db2.gz NVAGCHIINUKPOJ-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574464600 949415236 /nfs/dbraw/zinc/41/52/36/949415236.db2.gz NVAGCHIINUKPOJ-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001574465035 949423567 /nfs/dbraw/zinc/42/35/67/949423567.db2.gz UDDIFBGQSTXDEU-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001574465035 949423579 /nfs/dbraw/zinc/42/35/79/949423579.db2.gz UDDIFBGQSTXDEU-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001574465074 949431246 /nfs/dbraw/zinc/43/12/46/949431246.db2.gz WKJHSZYWNUHAGU-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001574465074 949431261 /nfs/dbraw/zinc/43/12/61/949431261.db2.gz WKJHSZYWNUHAGU-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575534901 949437726 /nfs/dbraw/zinc/43/77/26/949437726.db2.gz RVNBHGMGGUSFLH-CYBMUJFWSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001575867474 949439039 /nfs/dbraw/zinc/43/90/39/949439039.db2.gz ZELKNKDUXROILU-JTQLQIEISA-N -1 1 385.409 0.793 20 0 GCADMM C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001575867474 949439050 /nfs/dbraw/zinc/43/90/50/949439050.db2.gz ZELKNKDUXROILU-JTQLQIEISA-N -1 1 385.409 0.793 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1F ZINC001574947537 949447301 /nfs/dbraw/zinc/44/73/01/949447301.db2.gz BUWLIYUZQBDUCQ-QMMMGPOBSA-N -1 1 391.338 0.327 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574467956 949448875 /nfs/dbraw/zinc/44/88/75/949448875.db2.gz AVRIUQZNQCVAOL-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574467956 949448891 /nfs/dbraw/zinc/44/88/91/949448891.db2.gz AVRIUQZNQCVAOL-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573803689 949449602 /nfs/dbraw/zinc/44/96/02/949449602.db2.gz QCDFNZNYVKXNPP-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573803689 949449620 /nfs/dbraw/zinc/44/96/20/949449620.db2.gz QCDFNZNYVKXNPP-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706194 949451145 /nfs/dbraw/zinc/45/11/45/949451145.db2.gz LKQCEAKWABAGLP-MNOVXSKESA-N -1 1 382.432 0.759 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573804003 949460628 /nfs/dbraw/zinc/46/06/28/949460628.db2.gz ZLVLURFGGUNZSH-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573804003 949460642 /nfs/dbraw/zinc/46/06/42/949460642.db2.gz ZLVLURFGGUNZSH-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574707196 949467213 /nfs/dbraw/zinc/46/72/13/949467213.db2.gz NXYWAMFDMLVZPP-QWRGUYRKSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574707196 949467225 /nfs/dbraw/zinc/46/72/25/949467225.db2.gz NXYWAMFDMLVZPP-QWRGUYRKSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H]1CCC[C@@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H]1C ZINC001576157267 949476788 /nfs/dbraw/zinc/47/67/88/949476788.db2.gz ZVKJSIBJBFCDAN-UTUOFQBUSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001574469460 949482016 /nfs/dbraw/zinc/48/20/16/949482016.db2.gz DQPZNTHIEKJBKD-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001574469460 949482030 /nfs/dbraw/zinc/48/20/30/949482030.db2.gz DQPZNTHIEKJBKD-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnon1 ZINC001576157344 949483299 /nfs/dbraw/zinc/48/32/99/949483299.db2.gz PWTNKURRMGIHHH-MGPLVRAMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnon1 ZINC001576157344 949483307 /nfs/dbraw/zinc/48/33/07/949483307.db2.gz PWTNKURRMGIHHH-MGPLVRAMSA-N -1 1 384.404 0.831 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574117923 949484049 /nfs/dbraw/zinc/48/40/49/949484049.db2.gz BCSDVRUCASEYFT-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574117923 949484064 /nfs/dbraw/zinc/48/40/64/949484064.db2.gz BCSDVRUCASEYFT-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccon1 ZINC001576157432 949484292 /nfs/dbraw/zinc/48/42/92/949484292.db2.gz QIWTWUNKZYDAGM-APPDUMDISA-N -1 1 383.416 0.857 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574949148 949484583 /nfs/dbraw/zinc/48/45/83/949484583.db2.gz RFJNLEQJWPEZGY-LLVKDONJSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574949148 949484596 /nfs/dbraw/zinc/48/45/96/949484596.db2.gz RFJNLEQJWPEZGY-LLVKDONJSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574949167 949485408 /nfs/dbraw/zinc/48/54/08/949485408.db2.gz RKUGLWMFXRYZKR-LLVKDONJSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574949167 949485429 /nfs/dbraw/zinc/48/54/29/949485429.db2.gz RKUGLWMFXRYZKR-LLVKDONJSA-N -1 1 382.432 0.595 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574119848 949501142 /nfs/dbraw/zinc/50/11/42/949501142.db2.gz KQBDDZZYGHPXJW-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574119848 949501160 /nfs/dbraw/zinc/50/11/60/949501160.db2.gz KQBDDZZYGHPXJW-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575537785 949503163 /nfs/dbraw/zinc/50/31/63/949503163.db2.gz XTBJEUFUTSBBMW-VBKZILBWSA-N -1 1 390.451 0.996 20 0 GCADMM C[C@H](CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001574949864 949514294 /nfs/dbraw/zinc/51/42/94/949514294.db2.gz FOYQLOJAOXKQSH-LLVKDONJSA-N -1 1 384.400 0.232 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnon1 ZINC001576159366 949515319 /nfs/dbraw/zinc/51/53/19/949515319.db2.gz WVIWKJMNQYUNKE-HWPZZCPQSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnon1 ZINC001576159366 949515340 /nfs/dbraw/zinc/51/53/40/949515340.db2.gz WVIWKJMNQYUNKE-HWPZZCPQSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871786 949519676 /nfs/dbraw/zinc/51/96/76/949519676.db2.gz CAMJGKBKTHUAPP-VXGBXAGGSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871786 949519688 /nfs/dbraw/zinc/51/96/88/949519688.db2.gz CAMJGKBKTHUAPP-VXGBXAGGSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949980 949524265 /nfs/dbraw/zinc/52/42/65/949524265.db2.gz ITNRZPCHPPAZIL-BQBZGAKWSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cocn1 ZINC001576160059 949525046 /nfs/dbraw/zinc/52/50/46/949525046.db2.gz ZHJQCVBBUSZZGP-APPDUMDISA-N -1 1 383.416 0.857 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574122470 949527327 /nfs/dbraw/zinc/52/73/27/949527327.db2.gz XJLOKAJDOKMJBE-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574122470 949527341 /nfs/dbraw/zinc/52/73/41/949527341.db2.gz XJLOKAJDOKMJBE-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575269137 949538999 /nfs/dbraw/zinc/53/89/99/949538999.db2.gz RIATWURRLZXJJG-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575269137 949539011 /nfs/dbraw/zinc/53/90/11/949539011.db2.gz RIATWURRLZXJJG-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](C1CC1)n1cc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cn1 ZINC001574472158 949543410 /nfs/dbraw/zinc/54/34/10/949543410.db2.gz QTYIAVDOOKJDLP-VIFPVBQESA-N -1 1 385.388 0.325 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872315 949544887 /nfs/dbraw/zinc/54/48/87/949544887.db2.gz HOYNHOFCGAIVCU-RYUDHWBXSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711708 949549590 /nfs/dbraw/zinc/54/95/90/949549590.db2.gz KRKPVLBMNIYPAZ-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711708 949549606 /nfs/dbraw/zinc/54/96/06/949549606.db2.gz KRKPVLBMNIYPAZ-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711709 949552738 /nfs/dbraw/zinc/55/27/38/949552738.db2.gz KRKPVLBMNIYPAZ-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711709 949552759 /nfs/dbraw/zinc/55/27/59/949552759.db2.gz KRKPVLBMNIYPAZ-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711713 949552865 /nfs/dbraw/zinc/55/28/65/949552865.db2.gz KRNHHQPGUAITDS-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711713 949552879 /nfs/dbraw/zinc/55/28/79/949552879.db2.gz KRNHHQPGUAITDS-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@]1(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CCOC1 ZINC001575539756 949557846 /nfs/dbraw/zinc/55/78/46/949557846.db2.gz SPQHTZJMDDKKNZ-ROUUACIJSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@]1(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CCOC1 ZINC001575539756 949557864 /nfs/dbraw/zinc/55/78/64/949557864.db2.gz SPQHTZJMDDKKNZ-ROUUACIJSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872943 949562799 /nfs/dbraw/zinc/56/27/99/949562799.db2.gz MHNMDMLWCDVZFZ-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712007 949568045 /nfs/dbraw/zinc/56/80/45/949568045.db2.gz PNSRNWSUXBNYSO-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712007 949568062 /nfs/dbraw/zinc/56/80/62/949568062.db2.gz PNSRNWSUXBNYSO-NHYWBVRUSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712174 949570801 /nfs/dbraw/zinc/57/08/01/949570801.db2.gz PZZKGGDQGNIKFB-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712174 949570819 /nfs/dbraw/zinc/57/08/19/949570819.db2.gz PZZKGGDQGNIKFB-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712008 949570921 /nfs/dbraw/zinc/57/09/21/949570921.db2.gz PNSRNWSUXBNYSO-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712008 949570942 /nfs/dbraw/zinc/57/09/42/949570942.db2.gz PNSRNWSUXBNYSO-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574124386 949572505 /nfs/dbraw/zinc/57/25/05/949572505.db2.gz GAPVRKPGMXYPTC-WVWOOGAGSA-N -1 1 399.459 0.030 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574124386 949572519 /nfs/dbraw/zinc/57/25/19/949572519.db2.gz GAPVRKPGMXYPTC-WVWOOGAGSA-N -1 1 399.459 0.030 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574124745 949579603 /nfs/dbraw/zinc/57/96/03/949579603.db2.gz LZFJUYACADGQHZ-NSHDSACASA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574124745 949579616 /nfs/dbraw/zinc/57/96/16/949579616.db2.gz LZFJUYACADGQHZ-NSHDSACASA-N -1 1 387.448 0.255 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712706 949582998 /nfs/dbraw/zinc/58/29/98/949582998.db2.gz TUGNPFNBNAZZMF-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712696 949583469 /nfs/dbraw/zinc/58/34/69/949583469.db2.gz SYGWWLHQPHGWSI-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712696 949583486 /nfs/dbraw/zinc/58/34/86/949583486.db2.gz SYGWWLHQPHGWSI-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574476005 949584027 /nfs/dbraw/zinc/58/40/27/949584027.db2.gz FAVABENPGKZYDA-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574476005 949584044 /nfs/dbraw/zinc/58/40/44/949584044.db2.gz FAVABENPGKZYDA-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574476261 949593656 /nfs/dbraw/zinc/59/36/56/949593656.db2.gz FSTILTWYRQOSLK-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574476261 949593673 /nfs/dbraw/zinc/59/36/73/949593673.db2.gz FSTILTWYRQOSLK-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873944 949594792 /nfs/dbraw/zinc/59/47/92/949594792.db2.gz CSLMYJJNDOSWKF-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574126968 949604683 /nfs/dbraw/zinc/60/46/83/949604683.db2.gz CQLQXFOWFDOLKK-LBPRGKRZSA-N -1 1 376.465 0.382 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574126909 949605406 /nfs/dbraw/zinc/60/54/06/949605406.db2.gz APCMGBUNTIYRCB-LBPRGKRZSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574126909 949605415 /nfs/dbraw/zinc/60/54/15/949605415.db2.gz APCMGBUNTIYRCB-LBPRGKRZSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574126967 949606214 /nfs/dbraw/zinc/60/62/14/949606214.db2.gz CQLQXFOWFDOLKK-GFCCVEGCSA-N -1 1 376.465 0.382 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCCCC(N)=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874266 949608640 /nfs/dbraw/zinc/60/86/40/949608640.db2.gz FMPQQJIYSRMXNC-RYUDHWBXSA-N -1 1 387.448 0.176 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCCCC(N)=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874266 949608651 /nfs/dbraw/zinc/60/86/51/949608651.db2.gz FMPQQJIYSRMXNC-RYUDHWBXSA-N -1 1 387.448 0.176 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576167555 949608926 /nfs/dbraw/zinc/60/89/26/949608926.db2.gz QMHQPNPWWQKILB-DGCLKSJQSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576167555 949608940 /nfs/dbraw/zinc/60/89/40/949608940.db2.gz QMHQPNPWWQKILB-DGCLKSJQSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713690 949610832 /nfs/dbraw/zinc/61/08/32/949610832.db2.gz BGHOFOXDBLAPQT-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713690 949610846 /nfs/dbraw/zinc/61/08/46/949610846.db2.gz BGHOFOXDBLAPQT-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574957355 949610808 /nfs/dbraw/zinc/61/08/08/949610808.db2.gz WANFJXFWDFXCTB-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574957355 949610822 /nfs/dbraw/zinc/61/08/22/949610822.db2.gz WANFJXFWDFXCTB-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574127401 949613000 /nfs/dbraw/zinc/61/30/00/949613000.db2.gz HCQKHAYFSJOGKZ-JSGCOSHPSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574127401 949613012 /nfs/dbraw/zinc/61/30/12/949613012.db2.gz HCQKHAYFSJOGKZ-JSGCOSHPSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574476727 949614413 /nfs/dbraw/zinc/61/44/13/949614413.db2.gz JHYKSHNJUSXKPV-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574713834 949615081 /nfs/dbraw/zinc/61/50/81/949615081.db2.gz YGDKDUMBTTWBCB-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574476755 949620916 /nfs/dbraw/zinc/62/09/16/949620916.db2.gz JMAFOTPFCZMHJV-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001574476838 949625531 /nfs/dbraw/zinc/62/55/31/949625531.db2.gz HZDXAQZAUCLPLV-JSGCOSHPSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001574476838 949625541 /nfs/dbraw/zinc/62/55/41/949625541.db2.gz HZDXAQZAUCLPLV-JSGCOSHPSA-N -1 1 390.448 0.095 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001574129173 949637075 /nfs/dbraw/zinc/63/70/75/949637075.db2.gz RGOQLTVJMJNYGS-UHFFFAOYSA-N -1 1 376.465 0.384 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575272122 949638409 /nfs/dbraw/zinc/63/84/09/949638409.db2.gz NSHOCWGIPNPSLA-RYUDHWBXSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575272122 949638433 /nfs/dbraw/zinc/63/84/33/949638433.db2.gz NSHOCWGIPNPSLA-RYUDHWBXSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575547711 949639698 /nfs/dbraw/zinc/63/96/98/949639698.db2.gz DZQFFKUBZAONPA-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575547711 949639705 /nfs/dbraw/zinc/63/97/05/949639705.db2.gz DZQFFKUBZAONPA-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001573814761 949648564 /nfs/dbraw/zinc/64/85/64/949648564.db2.gz FNKJHLKXIGDPDQ-OLZOCXBDSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575547987 949652852 /nfs/dbraw/zinc/65/28/52/949652852.db2.gz LKTIAQKKEUWLMS-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575547987 949652864 /nfs/dbraw/zinc/65/28/64/949652864.db2.gz LKTIAQKKEUWLMS-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168891 949654428 /nfs/dbraw/zinc/65/44/28/949654428.db2.gz CVBYMXOZMBITFF-YPMHNXCESA-N -1 1 383.416 0.348 20 0 GCADMM CC1(C(=O)N2CCN([C@@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)CC2)CC1 ZINC001575548079 949657759 /nfs/dbraw/zinc/65/77/59/949657759.db2.gz QNRRJZYCMNRJCK-CYBMUJFWSA-N -1 1 383.460 0.180 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575273036 949658827 /nfs/dbraw/zinc/65/88/27/949658827.db2.gz UWZCEYMKVDYUEK-RYUDHWBXSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575273036 949658834 /nfs/dbraw/zinc/65/88/34/949658834.db2.gz UWZCEYMKVDYUEK-RYUDHWBXSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574958245 949659346 /nfs/dbraw/zinc/65/93/46/949659346.db2.gz HOTDBRONDIHICJ-IJLUTSLNSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574958245 949659357 /nfs/dbraw/zinc/65/93/57/949659357.db2.gz HOTDBRONDIHICJ-IJLUTSLNSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575273034 949659331 /nfs/dbraw/zinc/65/93/31/949659331.db2.gz UWZCEYMKVDYUEK-NEPJUHHUSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575273034 949659342 /nfs/dbraw/zinc/65/93/42/949659342.db2.gz UWZCEYMKVDYUEK-NEPJUHHUSA-N -1 1 387.448 0.033 20 0 GCADMM CC1(C(=O)N2CCN([C@@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)CC2)CC1 ZINC001575548132 949659771 /nfs/dbraw/zinc/65/97/71/949659771.db2.gz SBCXOFHMIRKDAL-CYBMUJFWSA-N -1 1 383.460 0.180 20 0 GCADMM CC1(C(=O)N2CCN([C@@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)CC2)CC1 ZINC001575548132 949659783 /nfs/dbraw/zinc/65/97/83/949659783.db2.gz SBCXOFHMIRKDAL-CYBMUJFWSA-N -1 1 383.460 0.180 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575273037 949659989 /nfs/dbraw/zinc/65/99/89/949659989.db2.gz UWZCEYMKVDYUEK-VXGBXAGGSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575273037 949659999 /nfs/dbraw/zinc/65/99/99/949659999.db2.gz UWZCEYMKVDYUEK-VXGBXAGGSA-N -1 1 387.448 0.033 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573815897 949660718 /nfs/dbraw/zinc/66/07/18/949660718.db2.gz LTBMNYVOYZWFPV-JQWIXIFHSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573815897 949660723 /nfs/dbraw/zinc/66/07/23/949660723.db2.gz LTBMNYVOYZWFPV-JQWIXIFHSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574131570 949660902 /nfs/dbraw/zinc/66/09/02/949660902.db2.gz GTPBNFJDLDIQNO-GOSISDBHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574131570 949660916 /nfs/dbraw/zinc/66/09/16/949660916.db2.gz GTPBNFJDLDIQNO-GOSISDBHSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273325 949663530 /nfs/dbraw/zinc/66/35/30/949663530.db2.gz WBCQBFXJMGARNI-WDEREUQCSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273325 949663542 /nfs/dbraw/zinc/66/35/42/949663542.db2.gz WBCQBFXJMGARNI-WDEREUQCSA-N -1 1 375.437 0.220 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573815969 949664650 /nfs/dbraw/zinc/66/46/50/949664650.db2.gz MZEBGYCAACQGSA-QLJPJBMISA-N -1 1 378.412 0.150 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cccn1 ZINC001573816200 949676735 /nfs/dbraw/zinc/67/67/35/949676735.db2.gz PVIXGRVHGYTGPE-GFCCVEGCSA-N -1 1 384.448 0.308 20 0 GCADMM C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](C)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576169530 949678616 /nfs/dbraw/zinc/67/86/16/949678616.db2.gz YNRYAMRDCIOAHG-VXGBXAGGSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CCNC(=O)C(=O)N1CCC[C@@H](C)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576169530 949678632 /nfs/dbraw/zinc/67/86/32/949678632.db2.gz YNRYAMRDCIOAHG-VXGBXAGGSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574958675 949685939 /nfs/dbraw/zinc/68/59/39/949685939.db2.gz VENULAWUMKLSGO-OLZOCXBDSA-N -1 1 382.428 0.601 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1OCCCO1 ZINC001573816948 949690892 /nfs/dbraw/zinc/69/08/92/949690892.db2.gz VWCGMCHXLNHDAE-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1OCCCO1 ZINC001573816948 949690915 /nfs/dbraw/zinc/69/09/15/949690915.db2.gz VWCGMCHXLNHDAE-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1OCCCO1 ZINC001573816922 949690959 /nfs/dbraw/zinc/69/09/59/949690959.db2.gz VNUNPMAWLIPEBL-NSHDSACASA-N -1 1 390.448 0.175 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)CCCOC1 ZINC001575554273 949691479 /nfs/dbraw/zinc/69/14/79/949691479.db2.gz QHBRBCBYOABMBE-JCGVRSQUSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)CCCOC1 ZINC001575554273 949691489 /nfs/dbraw/zinc/69/14/89/949691489.db2.gz QHBRBCBYOABMBE-JCGVRSQUSA-N -1 1 384.444 0.368 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CN1CCCC1=O ZINC001573817160 949696064 /nfs/dbraw/zinc/69/60/64/949696064.db2.gz XUTZTMIXXZCAGM-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CN1CCCC1=O ZINC001573817160 949696073 /nfs/dbraw/zinc/69/60/73/949696073.db2.gz XUTZTMIXXZCAGM-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1ccnn1 ZINC001573817224 949697668 /nfs/dbraw/zinc/69/76/68/949697668.db2.gz YXDQYWLHSWSWIQ-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1ccnn1 ZINC001573817224 949697682 /nfs/dbraw/zinc/69/76/82/949697682.db2.gz YXDQYWLHSWSWIQ-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001574478119 949699170 /nfs/dbraw/zinc/69/91/70/949699170.db2.gz XTSFDVXUSWQHMD-CHWSQXEVSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574478119 949699192 /nfs/dbraw/zinc/69/91/92/949699192.db2.gz XTSFDVXUSWQHMD-CHWSQXEVSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574478129 949700048 /nfs/dbraw/zinc/70/00/48/949700048.db2.gz XUQZDYRDKAHAAD-OLZOCXBDSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574478129 949700065 /nfs/dbraw/zinc/70/00/65/949700065.db2.gz XUQZDYRDKAHAAD-OLZOCXBDSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880629 949704371 /nfs/dbraw/zinc/70/43/71/949704371.db2.gz VAAUMNYAACKHHJ-OCCSQVGLSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574959450 949713860 /nfs/dbraw/zinc/71/38/60/949713860.db2.gz SKPZETRUUHXSAS-QJPTWQEYSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574959450 949713877 /nfs/dbraw/zinc/71/38/77/949713877.db2.gz SKPZETRUUHXSAS-QJPTWQEYSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170496 949719980 /nfs/dbraw/zinc/71/99/80/949719980.db2.gz LJHVIPLRXQCNFK-OCCSQVGLSA-N -1 1 382.428 0.953 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCC(N)=O ZINC001573818297 949728621 /nfs/dbraw/zinc/72/86/21/949728621.db2.gz KCCBIBKZKAVBLO-LLVKDONJSA-N -1 1 375.437 0.255 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCC(N)=O ZINC001573818297 949728633 /nfs/dbraw/zinc/72/86/33/949728633.db2.gz KCCBIBKZKAVBLO-LLVKDONJSA-N -1 1 375.437 0.255 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574960948 949730166 /nfs/dbraw/zinc/73/01/66/949730166.db2.gz YPOUONYAIVZXJB-WCFLWFBJSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574960948 949730184 /nfs/dbraw/zinc/73/01/84/949730184.db2.gz YPOUONYAIVZXJB-WCFLWFBJSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575276816 949732996 /nfs/dbraw/zinc/73/29/96/949732996.db2.gz MAQHNYTTZFKGGV-RYUDHWBXSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575276816 949733016 /nfs/dbraw/zinc/73/30/16/949733016.db2.gz MAQHNYTTZFKGGV-RYUDHWBXSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)CCOC1 ZINC001575558547 949740390 /nfs/dbraw/zinc/74/03/90/949740390.db2.gz QQWUPSKAFUNGPD-UUWFMWQGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)CCOC1 ZINC001575558547 949740405 /nfs/dbraw/zinc/74/04/05/949740405.db2.gz QQWUPSKAFUNGPD-UUWFMWQGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574962953 949746305 /nfs/dbraw/zinc/74/63/05/949746305.db2.gz GEGVVWQXZCOWBP-RNFRBKRXSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574962953 949746321 /nfs/dbraw/zinc/74/63/21/949746321.db2.gz GEGVVWQXZCOWBP-RNFRBKRXSA-N -1 1 384.853 0.562 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001573818745 949747038 /nfs/dbraw/zinc/74/70/38/949747038.db2.gz PJBJFGIQIRCCDU-RYUDHWBXSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001573818745 949747052 /nfs/dbraw/zinc/74/70/52/949747052.db2.gz PJBJFGIQIRCCDU-RYUDHWBXSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573819273 949748488 /nfs/dbraw/zinc/74/84/88/949748488.db2.gz SFZWTMMWRJTZKY-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573819273 949748507 /nfs/dbraw/zinc/74/85/07/949748507.db2.gz SFZWTMMWRJTZKY-DIFFPNOSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882084 949751399 /nfs/dbraw/zinc/75/13/99/949751399.db2.gz GCEFGYUMMFCQIQ-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882084 949751416 /nfs/dbraw/zinc/75/14/16/949751416.db2.gz GCEFGYUMMFCQIQ-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171153 949752079 /nfs/dbraw/zinc/75/20/79/949752079.db2.gz PFGHCDRLPZRKMQ-QWHCGFSZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171153 949752095 /nfs/dbraw/zinc/75/20/95/949752095.db2.gz PFGHCDRLPZRKMQ-QWHCGFSZSA-N -1 1 382.432 0.592 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573819833 949757919 /nfs/dbraw/zinc/75/79/19/949757919.db2.gz WCRNYNNFWGCTDP-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573819833 949757947 /nfs/dbraw/zinc/75/79/47/949757947.db2.gz WCRNYNNFWGCTDP-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCOC1 ZINC001575559713 949764204 /nfs/dbraw/zinc/76/42/04/949764204.db2.gz DUPCMXYUOOXKDD-LXQQGXESSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H](CC(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574481014 949765313 /nfs/dbraw/zinc/76/53/13/949765313.db2.gz MCLDHDVIWPUYQV-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574481014 949765322 /nfs/dbraw/zinc/76/53/22/949765322.db2.gz MCLDHDVIWPUYQV-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574964319 949769463 /nfs/dbraw/zinc/76/94/63/949769463.db2.gz UADJQJYYFXXPPL-NKWVEPMBSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574964319 949769485 /nfs/dbraw/zinc/76/94/85/949769485.db2.gz UADJQJYYFXXPPL-NKWVEPMBSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574481227 949773394 /nfs/dbraw/zinc/77/33/94/949773394.db2.gz NLYFOYKNNLSFHA-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574481227 949773413 /nfs/dbraw/zinc/77/34/13/949773413.db2.gz NLYFOYKNNLSFHA-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575279470 949778529 /nfs/dbraw/zinc/77/85/29/949778529.db2.gz YBLXTPWKHJFHKU-WDEREUQCSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575279470 949778541 /nfs/dbraw/zinc/77/85/41/949778541.db2.gz YBLXTPWKHJFHKU-WDEREUQCSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575279279 949778863 /nfs/dbraw/zinc/77/88/63/949778863.db2.gz YBLXTPWKHJFHKU-QWRGUYRKSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575279279 949778875 /nfs/dbraw/zinc/77/88/75/949778875.db2.gz YBLXTPWKHJFHKU-QWRGUYRKSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171798 949781608 /nfs/dbraw/zinc/78/16/08/949781608.db2.gz SLINXXXZEACZLB-OCCSQVGLSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574481493 949784259 /nfs/dbraw/zinc/78/42/59/949784259.db2.gz QMDCQJDEMQYGER-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574138450 949786683 /nfs/dbraw/zinc/78/66/83/949786683.db2.gz CMKBKJWFDMQNOB-SCLBCKFNSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574138450 949786708 /nfs/dbraw/zinc/78/67/08/949786708.db2.gz CMKBKJWFDMQNOB-SCLBCKFNSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573822350 949786899 /nfs/dbraw/zinc/78/68/99/949786899.db2.gz HPGLGBPKIJLVFC-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573822350 949786917 /nfs/dbraw/zinc/78/69/17/949786917.db2.gz HPGLGBPKIJLVFC-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)COCC(F)F ZINC001573822369 949792927 /nfs/dbraw/zinc/79/29/27/949792927.db2.gz ICHUZUUEVAZDTO-VIFPVBQESA-N -1 1 384.391 0.881 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)COCC(F)F ZINC001573822369 949792943 /nfs/dbraw/zinc/79/29/43/949792943.db2.gz ICHUZUUEVAZDTO-VIFPVBQESA-N -1 1 384.391 0.881 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574965264 949794156 /nfs/dbraw/zinc/79/41/56/949794156.db2.gz DWOWCYKSKUXRPM-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574965264 949794168 /nfs/dbraw/zinc/79/41/68/949794168.db2.gz DWOWCYKSKUXRPM-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCNC1=O ZINC001573822620 949797975 /nfs/dbraw/zinc/79/79/75/949797975.db2.gz KSDIJRBQKYWNTB-WDEREUQCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573822620 949798003 /nfs/dbraw/zinc/79/80/03/949798003.db2.gz KSDIJRBQKYWNTB-WDEREUQCSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574720642 949798191 /nfs/dbraw/zinc/79/81/91/949798191.db2.gz FFLVWXBLMZAWHR-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574720642 949798204 /nfs/dbraw/zinc/79/82/04/949798204.db2.gz FFLVWXBLMZAWHR-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573822746 949800399 /nfs/dbraw/zinc/80/03/99/949800399.db2.gz LZGDURYWEQUUFT-QWRGUYRKSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573822746 949800424 /nfs/dbraw/zinc/80/04/24/949800424.db2.gz LZGDURYWEQUUFT-QWRGUYRKSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573822635 949801949 /nfs/dbraw/zinc/80/19/49/949801949.db2.gz LFOUODRIZQVYPK-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573822635 949801970 /nfs/dbraw/zinc/80/19/70/949801970.db2.gz LFOUODRIZQVYPK-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CC23CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)CCOC1 ZINC001575561067 949806640 /nfs/dbraw/zinc/80/66/40/949806640.db2.gz YXFOWUNIBDTJAE-DYVFJYSZSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CC23CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)CCOC1 ZINC001575561067 949806663 /nfs/dbraw/zinc/80/66/63/949806663.db2.gz YXFOWUNIBDTJAE-DYVFJYSZSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574481933 949808567 /nfs/dbraw/zinc/80/85/67/949808567.db2.gz XSDGEZNHKXHHSF-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574481933 949808587 /nfs/dbraw/zinc/80/85/87/949808587.db2.gz XSDGEZNHKXHHSF-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574481907 949810900 /nfs/dbraw/zinc/81/09/00/949810900.db2.gz XIQNZHZZUUMKLL-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574481907 949810920 /nfs/dbraw/zinc/81/09/20/949810920.db2.gz XIQNZHZZUUMKLL-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574139567 949816482 /nfs/dbraw/zinc/81/64/82/949816482.db2.gz KQXWDAPJRUWADI-ACJLOTCBSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574139567 949816501 /nfs/dbraw/zinc/81/65/01/949816501.db2.gz KQXWDAPJRUWADI-ACJLOTCBSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573823271 949817548 /nfs/dbraw/zinc/81/75/48/949817548.db2.gz STCCDXJUQBDVSP-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573823271 949817567 /nfs/dbraw/zinc/81/75/67/949817567.db2.gz STCCDXJUQBDVSP-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574965839 949817933 /nfs/dbraw/zinc/81/79/33/949817933.db2.gz NDQABKYWUMEUCN-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574965839 949817952 /nfs/dbraw/zinc/81/79/52/949817952.db2.gz NDQABKYWUMEUCN-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574721512 949822203 /nfs/dbraw/zinc/82/22/03/949822203.db2.gz MUCLLBNXKYIALK-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574721512 949822225 /nfs/dbraw/zinc/82/22/25/949822225.db2.gz MUCLLBNXKYIALK-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574721511 949822542 /nfs/dbraw/zinc/82/25/42/949822542.db2.gz MUCLLBNXKYIALK-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574721511 949822561 /nfs/dbraw/zinc/82/25/61/949822561.db2.gz MUCLLBNXKYIALK-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575883657 949825042 /nfs/dbraw/zinc/82/50/42/949825042.db2.gz SCBSITHUHVGBFI-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281887 949824922 /nfs/dbraw/zinc/82/49/22/949824922.db2.gz HUSYPQBMCKBOCZ-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281887 949824944 /nfs/dbraw/zinc/82/49/44/949824944.db2.gz HUSYPQBMCKBOCZ-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](CN(C)C(=O)CCOC1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574722132 949827141 /nfs/dbraw/zinc/82/71/41/949827141.db2.gz PTTVUWYIMCVWGV-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CN(C)C(=O)CCOC1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574722132 949827161 /nfs/dbraw/zinc/82/71/61/949827161.db2.gz PTTVUWYIMCVWGV-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574965961 949827816 /nfs/dbraw/zinc/82/78/16/949827816.db2.gz PYCSDXVQAIRCLK-XVMARJQXSA-N -1 1 384.853 0.262 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc[nH]c1=O ZINC001573823456 949830282 /nfs/dbraw/zinc/83/02/82/949830282.db2.gz XFAXRAFAWMCRPZ-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc[nH]c1=O ZINC001573823456 949830310 /nfs/dbraw/zinc/83/03/10/949830310.db2.gz XFAXRAFAWMCRPZ-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574483692 949837543 /nfs/dbraw/zinc/83/75/43/949837543.db2.gz IPFCTOONVGRNPP-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574483692 949837561 /nfs/dbraw/zinc/83/75/61/949837561.db2.gz IPFCTOONVGRNPP-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573823826 949839613 /nfs/dbraw/zinc/83/96/13/949839613.db2.gz ZJTPHVDQZPJIKT-WDEREUQCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573823826 949839639 /nfs/dbraw/zinc/83/96/39/949839639.db2.gz ZJTPHVDQZPJIKT-WDEREUQCSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574966276 949839969 /nfs/dbraw/zinc/83/99/69/949839969.db2.gz VZLWREAOHCYAHF-UANNBLPKSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574966276 949839995 /nfs/dbraw/zinc/83/99/95/949839995.db2.gz VZLWREAOHCYAHF-UANNBLPKSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574966491 949850787 /nfs/dbraw/zinc/85/07/87/949850787.db2.gz ZOXPHCJAUUYDDJ-QYNIQEEDSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574966491 949850812 /nfs/dbraw/zinc/85/08/12/949850812.db2.gz ZOXPHCJAUUYDDJ-QYNIQEEDSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575282964 949851794 /nfs/dbraw/zinc/85/17/94/949851794.db2.gz CXDFEFTZHLIWCH-STQMWFEESA-N -1 1 381.444 0.520 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177758 949852522 /nfs/dbraw/zinc/85/25/22/949852522.db2.gz BIIBRLZZTFOLQU-VXGBXAGGSA-N -1 1 380.416 0.221 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575283154 949857993 /nfs/dbraw/zinc/85/79/93/949857993.db2.gz NYYNCDKLMMIDKU-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3cncc(-c4nnn[n-]4)n3)(C1)C2 ZINC001573824950 949858894 /nfs/dbraw/zinc/85/88/94/949858894.db2.gz IMMBYXFWDMGMTF-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3cncc(-c4nn[n-]n4)n3)(C1)C2 ZINC001573824950 949858913 /nfs/dbraw/zinc/85/89/13/949858913.db2.gz IMMBYXFWDMGMTF-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3cnc(-c4nnn[n-]4)cn3)(C1)C2 ZINC001573824961 949860230 /nfs/dbraw/zinc/86/02/30/949860230.db2.gz JFXUXFDUYDBNPS-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3cnc(-c4nn[n-]n4)cn3)(C1)C2 ZINC001573824961 949860257 /nfs/dbraw/zinc/86/02/57/949860257.db2.gz JFXUXFDUYDBNPS-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574484127 949860542 /nfs/dbraw/zinc/86/05/42/949860542.db2.gz VYWPZUSQYQTWNB-WCQYABFASA-N -1 1 382.432 0.019 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574484187 949864123 /nfs/dbraw/zinc/86/41/23/949864123.db2.gz FFJVMGVVNKYMFF-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574484187 949864142 /nfs/dbraw/zinc/86/41/42/949864142.db2.gz FFJVMGVVNKYMFF-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574724585 949871447 /nfs/dbraw/zinc/87/14/47/949871447.db2.gz HWHXBLHPKUBOQH-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574724585 949871469 /nfs/dbraw/zinc/87/14/69/949871469.db2.gz HWHXBLHPKUBOQH-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178021 949878812 /nfs/dbraw/zinc/87/88/12/949878812.db2.gz AOPJLWNIOBXVKH-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178021 949878834 /nfs/dbraw/zinc/87/88/34/949878834.db2.gz AOPJLWNIOBXVKH-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178257 949879547 /nfs/dbraw/zinc/87/95/47/949879547.db2.gz GWYGUVJCZKYMTK-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178257 949879571 /nfs/dbraw/zinc/87/95/71/949879571.db2.gz GWYGUVJCZKYMTK-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CNC(=O)c1c2ccccc2nn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574967943 949881259 /nfs/dbraw/zinc/88/12/59/949881259.db2.gz KEIVHNFGLDJCFU-NSHDSACASA-N -1 1 392.427 0.443 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576178274 949882861 /nfs/dbraw/zinc/88/28/61/949882861.db2.gz HEALVFVBIAUDQJ-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576178274 949882887 /nfs/dbraw/zinc/88/28/87/949882887.db2.gz HEALVFVBIAUDQJ-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283674 949882976 /nfs/dbraw/zinc/88/29/76/949882976.db2.gz GQTRQHHKNYNTHR-NWDGAFQWSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283674 949883000 /nfs/dbraw/zinc/88/30/00/949883000.db2.gz GQTRQHHKNYNTHR-NWDGAFQWSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575886317 949882872 /nfs/dbraw/zinc/88/28/72/949882872.db2.gz XVJRDQWDJXNPHA-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178492 949885257 /nfs/dbraw/zinc/88/52/57/949885257.db2.gz BRYUHSRQRKMPAC-JQWIXIFHSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178445 949885605 /nfs/dbraw/zinc/88/56/05/949885605.db2.gz BJYZFRPYGGXNNG-YPMHNXCESA-N -1 1 380.416 0.221 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574484608 949886364 /nfs/dbraw/zinc/88/63/64/949886364.db2.gz KUXFCOQZFNFVQL-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574484608 949886383 /nfs/dbraw/zinc/88/63/83/949886383.db2.gz KUXFCOQZFNFVQL-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178518 949892250 /nfs/dbraw/zinc/89/22/50/949892250.db2.gz BWOFRHYHXBVJLV-JOYOIKCWSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178518 949892274 /nfs/dbraw/zinc/89/22/74/949892274.db2.gz BWOFRHYHXBVJLV-JOYOIKCWSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574968322 949893347 /nfs/dbraw/zinc/89/33/47/949893347.db2.gz NSUSRTJATWKFQA-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574968322 949893383 /nfs/dbraw/zinc/89/33/83/949893383.db2.gz NSUSRTJATWKFQA-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284201 949894373 /nfs/dbraw/zinc/89/43/73/949894373.db2.gz IEKBXISIFQNNAR-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284201 949894399 /nfs/dbraw/zinc/89/43/99/949894399.db2.gz IEKBXISIFQNNAR-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)CCOC1 ZINC001575568714 949899306 /nfs/dbraw/zinc/89/93/06/949899306.db2.gz BXPNHWGFQFAHFS-SCLBCKFNSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)CCOC1 ZINC001575568714 949899326 /nfs/dbraw/zinc/89/93/26/949899326.db2.gz BXPNHWGFQFAHFS-SCLBCKFNSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)n21 ZINC001576178746 949899444 /nfs/dbraw/zinc/89/94/44/949899444.db2.gz IOULPVIZSQWZNO-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)n21 ZINC001576178746 949899465 /nfs/dbraw/zinc/89/94/65/949899465.db2.gz IOULPVIZSQWZNO-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574725640 949905077 /nfs/dbraw/zinc/90/50/77/949905077.db2.gz UQHXQWWQNNDZBA-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574725640 949905094 /nfs/dbraw/zinc/90/50/94/949905094.db2.gz UQHXQWWQNNDZBA-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1ccnc1 ZINC001574484860 949909486 /nfs/dbraw/zinc/90/94/86/949909486.db2.gz QDJBDEMJFSOEPP-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1ccnc1 ZINC001574484860 949909495 /nfs/dbraw/zinc/90/94/95/949909495.db2.gz QDJBDEMJFSOEPP-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)CCOC1 ZINC001575569139 949910343 /nfs/dbraw/zinc/91/03/43/949910343.db2.gz GSUFMCLGJGLYER-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576179347 949912654 /nfs/dbraw/zinc/91/26/54/949912654.db2.gz FPFJPNGULKHUQR-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576179347 949912663 /nfs/dbraw/zinc/91/26/63/949912663.db2.gz FPFJPNGULKHUQR-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574725756 949913283 /nfs/dbraw/zinc/91/32/83/949913283.db2.gz CRJKNRDZRRNSQT-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574725756 949913302 /nfs/dbraw/zinc/91/33/02/949913302.db2.gz CRJKNRDZRRNSQT-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179562 949916827 /nfs/dbraw/zinc/91/68/27/949916827.db2.gz AVSUKOQLJLDUMT-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179562 949916847 /nfs/dbraw/zinc/91/68/47/949916847.db2.gz AVSUKOQLJLDUMT-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179688 949920984 /nfs/dbraw/zinc/92/09/84/949920984.db2.gz BVKZOHXUUKRJNK-RYUDHWBXSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179688 949921009 /nfs/dbraw/zinc/92/10/09/949921009.db2.gz BVKZOHXUUKRJNK-RYUDHWBXSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574969028 949921684 /nfs/dbraw/zinc/92/16/84/949921684.db2.gz YGVPTMUFIYXKPQ-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574969028 949921708 /nfs/dbraw/zinc/92/17/08/949921708.db2.gz YGVPTMUFIYXKPQ-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM Cn1ncc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1I ZINC000379231567 971619022 /nfs/dbraw/zinc/61/90/22/971619022.db2.gz ZSSARWYAXMLBRL-MRVPVSSYSA-N -1 1 389.153 0.174 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179683 949924676 /nfs/dbraw/zinc/92/46/76/949924676.db2.gz BVKZOHXUUKRJNK-NEPJUHHUSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179683 949924701 /nfs/dbraw/zinc/92/47/01/949924701.db2.gz BVKZOHXUUKRJNK-NEPJUHHUSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)N(C)CCNc3ccc(-c4nnn[n-]4)nn3)n21 ZINC001576179897 949926645 /nfs/dbraw/zinc/92/66/45/949926645.db2.gz MOFJJRBXKUVQHA-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)N(C)CCNc3ccc(-c4nn[n-]n4)nn3)n21 ZINC001576179897 949926672 /nfs/dbraw/zinc/92/66/72/949926672.db2.gz MOFJJRBXKUVQHA-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574488449 949950743 /nfs/dbraw/zinc/95/07/43/949950743.db2.gz GIKGHTMZZIOOKV-IHRRRGAJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574488449 949950767 /nfs/dbraw/zinc/95/07/67/949950767.db2.gz GIKGHTMZZIOOKV-IHRRRGAJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285636 949953516 /nfs/dbraw/zinc/95/35/16/949953516.db2.gz PLVIFPXQDQQUQT-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285636 949953535 /nfs/dbraw/zinc/95/35/35/949953535.db2.gz PLVIFPXQDQQUQT-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727289 949958483 /nfs/dbraw/zinc/95/84/83/949958483.db2.gz RIGWMWWLEILXKQ-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727289 949958497 /nfs/dbraw/zinc/95/84/97/949958497.db2.gz RIGWMWWLEILXKQ-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727290 949958592 /nfs/dbraw/zinc/95/85/92/949958592.db2.gz RIGWMWWLEILXKQ-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727290 949958621 /nfs/dbraw/zinc/95/86/21/949958621.db2.gz RIGWMWWLEILXKQ-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180511 949959189 /nfs/dbraw/zinc/95/91/89/949959189.db2.gz DTFUXFADBWCFCH-VXGBXAGGSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180511 949959212 /nfs/dbraw/zinc/95/92/12/949959212.db2.gz DTFUXFADBWCFCH-VXGBXAGGSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727288 949962096 /nfs/dbraw/zinc/96/20/96/949962096.db2.gz RIGWMWWLEILXKQ-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727288 949962117 /nfs/dbraw/zinc/96/21/17/949962117.db2.gz RIGWMWWLEILXKQ-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574489344 949963241 /nfs/dbraw/zinc/96/32/41/949963241.db2.gz IVKPYCJTZQGQFX-WCBMZHEXSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727453 949963414 /nfs/dbraw/zinc/96/34/14/949963414.db2.gz SZNHEUCGXADNBP-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727453 949963429 /nfs/dbraw/zinc/96/34/29/949963429.db2.gz SZNHEUCGXADNBP-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575285835 949963711 /nfs/dbraw/zinc/96/37/11/949963711.db2.gz RJIKGASIUTVSHJ-NEPJUHHUSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575285835 949963728 /nfs/dbraw/zinc/96/37/28/949963728.db2.gz RJIKGASIUTVSHJ-NEPJUHHUSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574727413 949965471 /nfs/dbraw/zinc/96/54/71/949965471.db2.gz SCXQEUMWAITARJ-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574727413 949965490 /nfs/dbraw/zinc/96/54/90/949965490.db2.gz SCXQEUMWAITARJ-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576180624 949965481 /nfs/dbraw/zinc/96/54/81/949965481.db2.gz PHHCGSQYGNURMQ-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576180624 949965497 /nfs/dbraw/zinc/96/54/97/949965497.db2.gz PHHCGSQYGNURMQ-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727562 949968260 /nfs/dbraw/zinc/96/82/60/949968260.db2.gz VIQGCWSIGGQKCH-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727562 949968268 /nfs/dbraw/zinc/96/82/68/949968268.db2.gz VIQGCWSIGGQKCH-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC001575572356 949972977 /nfs/dbraw/zinc/97/29/77/949972977.db2.gz GMNAOTJFJGDMIM-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC001575572356 949972992 /nfs/dbraw/zinc/97/29/92/949972992.db2.gz GMNAOTJFJGDMIM-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180888 949976305 /nfs/dbraw/zinc/97/63/05/949976305.db2.gz KBJBJCLMXVQPJA-ZYHUDNBSSA-N -1 1 384.404 0.205 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574490178 949978514 /nfs/dbraw/zinc/97/85/14/949978514.db2.gz NXVBCYSUTWJSEP-FRRDWIJNSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574490178 949978530 /nfs/dbraw/zinc/97/85/30/949978530.db2.gz NXVBCYSUTWJSEP-FRRDWIJNSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727728 949979605 /nfs/dbraw/zinc/97/96/05/949979605.db2.gz YMADTKYHVDTNTP-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180957 949979669 /nfs/dbraw/zinc/97/96/69/949979669.db2.gz KJZBWLRGSOUQAE-VHSXEESVSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180957 949979685 /nfs/dbraw/zinc/97/96/85/949979685.db2.gz KJZBWLRGSOUQAE-VHSXEESVSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727728 949979619 /nfs/dbraw/zinc/97/96/19/949979619.db2.gz YMADTKYHVDTNTP-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001573830684 949982202 /nfs/dbraw/zinc/98/22/02/949982202.db2.gz OEMZPUCLSPHZPF-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001573830684 949982213 /nfs/dbraw/zinc/98/22/13/949982213.db2.gz OEMZPUCLSPHZPF-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891085 949982910 /nfs/dbraw/zinc/98/29/10/949982910.db2.gz DVEYTOBMPDVRDZ-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891085 949982923 /nfs/dbraw/zinc/98/29/23/949982923.db2.gz DVEYTOBMPDVRDZ-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181230 949993332 /nfs/dbraw/zinc/99/33/32/949993332.db2.gz KYXUEGPUTOQECS-GXFFZTMASA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181230 949993344 /nfs/dbraw/zinc/99/33/44/949993344.db2.gz KYXUEGPUTOQECS-GXFFZTMASA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181286 949996666 /nfs/dbraw/zinc/99/66/66/949996666.db2.gz LMHHUONWOKWKOX-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181286 949996686 /nfs/dbraw/zinc/99/66/86/949996686.db2.gz LMHHUONWOKWKOX-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181330 949996722 /nfs/dbraw/zinc/99/67/22/949996722.db2.gz LTTWYBXPYAPWMQ-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181330 949996740 /nfs/dbraw/zinc/99/67/40/949996740.db2.gz LTTWYBXPYAPWMQ-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CNC(=O)C(=O)N1CCC(C)CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181353 950001657 /nfs/dbraw/zinc/00/16/57/950001657.db2.gz UDEFSJQPEGNTAC-GFCCVEGCSA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H](CNC(=O)C(=O)N1CCC(C)CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181353 950001680 /nfs/dbraw/zinc/00/16/80/950001680.db2.gz UDEFSJQPEGNTAC-GFCCVEGCSA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181609 950010922 /nfs/dbraw/zinc/01/09/22/950010922.db2.gz VDFCWSXORXBCNL-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181609 950010943 /nfs/dbraw/zinc/01/09/43/950010943.db2.gz VDFCWSXORXBCNL-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574490755 950019619 /nfs/dbraw/zinc/01/96/19/950019619.db2.gz YEVGTCKMTZHWHL-MBNYWOFBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574490755 950019638 /nfs/dbraw/zinc/01/96/38/950019638.db2.gz YEVGTCKMTZHWHL-MBNYWOFBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181938 950029837 /nfs/dbraw/zinc/02/98/37/950029837.db2.gz NFAXZTPJECHONI-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181938 950029856 /nfs/dbraw/zinc/02/98/56/950029856.db2.gz NFAXZTPJECHONI-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574730578 950032767 /nfs/dbraw/zinc/03/27/67/950032767.db2.gz AEZKCNOSFZRMLD-YPMHNXCESA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574730578 950032788 /nfs/dbraw/zinc/03/27/88/950032788.db2.gz AEZKCNOSFZRMLD-YPMHNXCESA-N -1 1 387.448 0.315 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574491413 950034109 /nfs/dbraw/zinc/03/41/09/950034109.db2.gz COJLZEMLZCQJPQ-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574491413 950034135 /nfs/dbraw/zinc/03/41/35/950034135.db2.gz COJLZEMLZCQJPQ-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182160 950039942 /nfs/dbraw/zinc/03/99/42/950039942.db2.gz YESDJDGRSCVLQL-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182160 950039959 /nfs/dbraw/zinc/03/99/59/950039959.db2.gz YESDJDGRSCVLQL-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574731352 950047570 /nfs/dbraw/zinc/04/75/70/950047570.db2.gz CSRQZKJFHRLITH-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574731352 950047594 /nfs/dbraw/zinc/04/75/94/950047594.db2.gz CSRQZKJFHRLITH-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892211 950059924 /nfs/dbraw/zinc/05/99/24/950059924.db2.gz UKADWKSLSJFDLI-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892211 950059950 /nfs/dbraw/zinc/05/99/50/950059950.db2.gz UKADWKSLSJFDLI-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182861 950064174 /nfs/dbraw/zinc/06/41/74/950064174.db2.gz NQFNLVHMCSRWRV-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182861 950064196 /nfs/dbraw/zinc/06/41/96/950064196.db2.gz NQFNLVHMCSRWRV-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182860 950067547 /nfs/dbraw/zinc/06/75/47/950067547.db2.gz NQFNLVHMCSRWRV-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182860 950067558 /nfs/dbraw/zinc/06/75/58/950067558.db2.gz NQFNLVHMCSRWRV-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001574492280 950073621 /nfs/dbraw/zinc/07/36/21/950073621.db2.gz LSRTYGIVOYKHEC-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001574492280 950073641 /nfs/dbraw/zinc/07/36/41/950073641.db2.gz LSRTYGIVOYKHEC-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574732786 950073565 /nfs/dbraw/zinc/07/35/65/950073565.db2.gz KRJDIJKEWZZSLB-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574732786 950073588 /nfs/dbraw/zinc/07/35/88/950073588.db2.gz KRJDIJKEWZZSLB-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574732598 950073856 /nfs/dbraw/zinc/07/38/56/950073856.db2.gz KNVQZXPXBWPQCL-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574732598 950073876 /nfs/dbraw/zinc/07/38/76/950073876.db2.gz KNVQZXPXBWPQCL-ZETCQYMHSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183080 950074186 /nfs/dbraw/zinc/07/41/86/950074186.db2.gz QSXVWNXWSRFRLD-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183080 950074211 /nfs/dbraw/zinc/07/42/11/950074211.db2.gz QSXVWNXWSRFRLD-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001574492323 950077319 /nfs/dbraw/zinc/07/73/19/950077319.db2.gz AJHKKINFSHVRDK-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574492323 950077344 /nfs/dbraw/zinc/07/73/44/950077344.db2.gz AJHKKINFSHVRDK-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575892628 950079330 /nfs/dbraw/zinc/07/93/30/950079330.db2.gz YNXJCAWCZWIYJU-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575892628 950079353 /nfs/dbraw/zinc/07/93/53/950079353.db2.gz YNXJCAWCZWIYJU-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574492425 950083016 /nfs/dbraw/zinc/08/30/16/950083016.db2.gz AWVZFQJEUXAFHG-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574492425 950083027 /nfs/dbraw/zinc/08/30/27/950083027.db2.gz AWVZFQJEUXAFHG-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733016 950091193 /nfs/dbraw/zinc/09/11/93/950091193.db2.gz PUTDJSXESRBDFA-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733016 950091215 /nfs/dbraw/zinc/09/12/15/950091215.db2.gz PUTDJSXESRBDFA-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)CC1 ZINC001575582021 950092981 /nfs/dbraw/zinc/09/29/81/950092981.db2.gz BUCXCVLAOHEVBC-CQSZACIVSA-N -1 1 383.865 0.834 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)CC1 ZINC001575582021 950093000 /nfs/dbraw/zinc/09/30/00/950093000.db2.gz BUCXCVLAOHEVBC-CQSZACIVSA-N -1 1 383.865 0.834 20 0 GCADMM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733010 950093235 /nfs/dbraw/zinc/09/32/35/950093235.db2.gz PQDFBOINOUEDRC-LURJTMIESA-N -1 1 382.841 0.596 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)CC1 ZINC001575582020 950094694 /nfs/dbraw/zinc/09/46/94/950094694.db2.gz BUCXCVLAOHEVBC-AWEZNQCLSA-N -1 1 383.865 0.834 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)CC1 ZINC001575582020 950094716 /nfs/dbraw/zinc/09/47/16/950094716.db2.gz BUCXCVLAOHEVBC-AWEZNQCLSA-N -1 1 383.865 0.834 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183651 950095437 /nfs/dbraw/zinc/09/54/37/950095437.db2.gz RCGWLIYKAKNZFB-NEPJUHHUSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183651 950095458 /nfs/dbraw/zinc/09/54/58/950095458.db2.gz RCGWLIYKAKNZFB-NEPJUHHUSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733157 950095401 /nfs/dbraw/zinc/09/54/01/950095401.db2.gz UEISVTDOAQEVGE-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733157 950095422 /nfs/dbraw/zinc/09/54/22/950095422.db2.gz UEISVTDOAQEVGE-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492663 950095859 /nfs/dbraw/zinc/09/58/59/950095859.db2.gz OGXZCOPIXFJUIQ-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733155 950096513 /nfs/dbraw/zinc/09/65/13/950096513.db2.gz UCZJKBBEVZRHKC-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733155 950096537 /nfs/dbraw/zinc/09/65/37/950096537.db2.gz UCZJKBBEVZRHKC-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574492658 950097135 /nfs/dbraw/zinc/09/71/35/950097135.db2.gz OEBOISUXHMARCO-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574492658 950097158 /nfs/dbraw/zinc/09/71/58/950097158.db2.gz OEBOISUXHMARCO-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM CC(=O)NCCN(C(=O)CCNC(=O)c1n[nH]c2ccccc21)[C@@H](C)C(=O)[O-] ZINC000262265088 950098382 /nfs/dbraw/zinc/09/83/82/950098382.db2.gz SYFYLBOSLPNMDP-NSHDSACASA-N -1 1 389.412 0.121 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)CCNC(=O)C1 ZINC001575582114 950099078 /nfs/dbraw/zinc/09/90/78/950099078.db2.gz FNZFCHBNRVTXBG-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)CCNC(=O)C1 ZINC001575582114 950099097 /nfs/dbraw/zinc/09/90/97/950099097.db2.gz FNZFCHBNRVTXBG-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)CCC(=O)NC1 ZINC001575582105 950101024 /nfs/dbraw/zinc/10/10/24/950101024.db2.gz FEZUYKCROLBNTO-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)CCC(=O)NC1 ZINC001575582105 950101035 /nfs/dbraw/zinc/10/10/35/950101035.db2.gz FEZUYKCROLBNTO-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733217 950101103 /nfs/dbraw/zinc/10/11/03/950101103.db2.gz VWZTWHFIYFHJLF-YPMHNXCESA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733217 950101116 /nfs/dbraw/zinc/10/11/16/950101116.db2.gz VWZTWHFIYFHJLF-YPMHNXCESA-N -1 1 387.448 0.315 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575582170 950102319 /nfs/dbraw/zinc/10/23/19/950102319.db2.gz AKVRGCBOLLXZDH-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575582170 950102336 /nfs/dbraw/zinc/10/23/36/950102336.db2.gz AKVRGCBOLLXZDH-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574492733 950102787 /nfs/dbraw/zinc/10/27/87/950102787.db2.gz PKPBOWTXHCHTFD-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574492733 950102793 /nfs/dbraw/zinc/10/27/93/950102793.db2.gz PKPBOWTXHCHTFD-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183875 950105503 /nfs/dbraw/zinc/10/55/03/950105503.db2.gz RYDNGSRJFUZCOP-NXEZZACHSA-N -1 1 384.366 0.928 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493047 950111173 /nfs/dbraw/zinc/11/11/73/950111173.db2.gz QZTBYAQMBDOCCS-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493047 950111188 /nfs/dbraw/zinc/11/11/88/950111188.db2.gz QZTBYAQMBDOCCS-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574493040 950111856 /nfs/dbraw/zinc/11/18/56/950111856.db2.gz QVSFOEFSBGTFBL-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574493040 950111869 /nfs/dbraw/zinc/11/18/69/950111869.db2.gz QVSFOEFSBGTFBL-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001574492982 950113858 /nfs/dbraw/zinc/11/38/58/950113858.db2.gz PZWPNCPIQAQBPG-GFCCVEGCSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575582477 950116740 /nfs/dbraw/zinc/11/67/40/950116740.db2.gz DELVGUQODJDJFL-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575582477 950116758 /nfs/dbraw/zinc/11/67/58/950116758.db2.gz DELVGUQODJDJFL-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733652 950117824 /nfs/dbraw/zinc/11/78/24/950117824.db2.gz FHLCQNADARGUEB-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733652 950117841 /nfs/dbraw/zinc/11/78/41/950117841.db2.gz FHLCQNADARGUEB-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574733635 950118117 /nfs/dbraw/zinc/11/81/17/950118117.db2.gz DZWSIHRMFHKYCR-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574733635 950118130 /nfs/dbraw/zinc/11/81/30/950118130.db2.gz DZWSIHRMFHKYCR-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574493203 950118147 /nfs/dbraw/zinc/11/81/47/950118147.db2.gz FLHHOEDLSZMTKT-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184395 950129990 /nfs/dbraw/zinc/12/99/90/950129990.db2.gz VIDDWBKNNPUUCX-RYUDHWBXSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184395 950130003 /nfs/dbraw/zinc/13/00/03/950130003.db2.gz VIDDWBKNNPUUCX-RYUDHWBXSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184459 950131989 /nfs/dbraw/zinc/13/19/89/950131989.db2.gz VTZKOSVWOVWUPW-JSGCOSHPSA-N -1 1 384.444 0.322 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573839913 950138258 /nfs/dbraw/zinc/13/82/58/950138258.db2.gz ZAECQGPBRAJNTD-NSHDSACASA-N -1 1 376.465 0.430 20 0 GCADMM C[C@H](CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574493909 950140976 /nfs/dbraw/zinc/14/09/76/950140976.db2.gz VGQKHCXHKJQYHE-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CCCOC1 ZINC001575583283 950141212 /nfs/dbraw/zinc/14/12/12/950141212.db2.gz KWFHVDQASXRBLW-ZIVKBKJYSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184719 950142409 /nfs/dbraw/zinc/14/24/09/950142409.db2.gz XDXJKZJJVHIFHR-GWCFXTLKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184719 950142419 /nfs/dbraw/zinc/14/24/19/950142419.db2.gz XDXJKZJJVHIFHR-GWCFXTLKSA-N -1 1 383.420 0.138 20 0 GCADMM CN(CCC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000262643211 950145824 /nfs/dbraw/zinc/14/58/24/950145824.db2.gz JJVMWCGFAMJXPV-UHFFFAOYSA-N -1 1 383.470 0.067 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734814 950146240 /nfs/dbraw/zinc/14/62/40/950146240.db2.gz RTXQHJNJZNDYHK-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734814 950146251 /nfs/dbraw/zinc/14/62/51/950146251.db2.gz RTXQHJNJZNDYHK-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CC(=O)N[C@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574493995 950147166 /nfs/dbraw/zinc/14/71/66/950147166.db2.gz WHTJFIKNMUWAIL-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574493995 950147180 /nfs/dbraw/zinc/14/71/80/950147180.db2.gz WHTJFIKNMUWAIL-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001574494027 950149269 /nfs/dbraw/zinc/14/92/69/950149269.db2.gz WULRCLLMOCJGAA-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001574494027 950149283 /nfs/dbraw/zinc/14/92/83/950149283.db2.gz WULRCLLMOCJGAA-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184987 950152230 /nfs/dbraw/zinc/15/22/30/950152230.db2.gz YAPPTNNYNXMSKX-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184987 950152238 /nfs/dbraw/zinc/15/22/38/950152238.db2.gz YAPPTNNYNXMSKX-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574494173 950154984 /nfs/dbraw/zinc/15/49/84/950154984.db2.gz JEWABWDVDFDFTL-NEPJUHHUSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574494173 950154995 /nfs/dbraw/zinc/15/49/95/950154995.db2.gz JEWABWDVDFDFTL-NEPJUHHUSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185099 950156697 /nfs/dbraw/zinc/15/66/97/950156697.db2.gz ZNGNXDGAGVHFTM-VXGBXAGGSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185099 950156709 /nfs/dbraw/zinc/15/67/09/950156709.db2.gz ZNGNXDGAGVHFTM-VXGBXAGGSA-N -1 1 386.416 0.441 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001575583872 950159282 /nfs/dbraw/zinc/15/92/82/950159282.db2.gz VIRYAIBYYUIKPU-SFHVURJKSA-N -1 1 386.460 0.685 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001575583872 950159286 /nfs/dbraw/zinc/15/92/86/950159286.db2.gz VIRYAIBYYUIKPU-SFHVURJKSA-N -1 1 386.460 0.685 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575584084 950161952 /nfs/dbraw/zinc/16/19/52/950161952.db2.gz PHMNXBQBUYHGLP-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)CCOC1 ZINC001575584419 950171134 /nfs/dbraw/zinc/17/11/34/950171134.db2.gz QWNVXPFSAKASBE-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574982616 950174460 /nfs/dbraw/zinc/17/44/60/950174460.db2.gz FQUOLDVUQMSRRA-YFKPBYRVSA-N -1 1 381.809 0.290 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCNC1=O ZINC001574154968 950179349 /nfs/dbraw/zinc/17/93/49/950179349.db2.gz HHKKYWYBEYBYAP-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCNC1=O ZINC001574154968 950179363 /nfs/dbraw/zinc/17/93/63/950179363.db2.gz HHKKYWYBEYBYAP-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574154970 950180429 /nfs/dbraw/zinc/18/04/29/950180429.db2.gz HHKKYWYBEYBYAP-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574154970 950180441 /nfs/dbraw/zinc/18/04/41/950180441.db2.gz HHKKYWYBEYBYAP-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575584824 950180915 /nfs/dbraw/zinc/18/09/15/950180915.db2.gz TVWTUDHXEHCRLV-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575584824 950180921 /nfs/dbraw/zinc/18/09/21/950180921.db2.gz TVWTUDHXEHCRLV-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191073 950182929 /nfs/dbraw/zinc/18/29/29/950182929.db2.gz DLFOGJUJCLVWJP-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191073 950182941 /nfs/dbraw/zinc/18/29/41/950182941.db2.gz DLFOGJUJCLVWJP-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CCOCC1 ZINC001575585170 950186334 /nfs/dbraw/zinc/18/63/34/950186334.db2.gz XAKVEKPAGPJFTB-XYYAHUGASA-N -1 1 384.444 0.272 20 0 GCADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CCOCC1 ZINC001575585170 950186348 /nfs/dbraw/zinc/18/63/48/950186348.db2.gz XAKVEKPAGPJFTB-XYYAHUGASA-N -1 1 384.444 0.272 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191155 950189574 /nfs/dbraw/zinc/18/95/74/950189574.db2.gz DSQQFNMJAZNJHM-MNOVXSKESA-N -1 1 385.457 0.745 20 0 GCADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191158 950189672 /nfs/dbraw/zinc/18/96/72/950189672.db2.gz DSQQFNMJAZNJHM-QWRGUYRKSA-N -1 1 385.457 0.745 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)n1cncn1 ZINC001574155465 950191491 /nfs/dbraw/zinc/19/14/91/950191491.db2.gz LPDFLPWUJJBOEA-VXGBXAGGSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)n1cncn1 ZINC001574155465 950191509 /nfs/dbraw/zinc/19/15/09/950191509.db2.gz LPDFLPWUJJBOEA-VXGBXAGGSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191374 950192530 /nfs/dbraw/zinc/19/25/30/950192530.db2.gz FPUSLULUDYCPCD-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191374 950192543 /nfs/dbraw/zinc/19/25/43/950192543.db2.gz FPUSLULUDYCPCD-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575585420 950195033 /nfs/dbraw/zinc/19/50/33/950195033.db2.gz YRGYVWYVUHPADM-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575585420 950195036 /nfs/dbraw/zinc/19/50/36/950195036.db2.gz YRGYVWYVUHPADM-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574495203 950196541 /nfs/dbraw/zinc/19/65/41/950196541.db2.gz RLNSZYYBAGDEBL-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574495203 950196548 /nfs/dbraw/zinc/19/65/48/950196548.db2.gz RLNSZYYBAGDEBL-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191383 950196544 /nfs/dbraw/zinc/19/65/44/950196544.db2.gz FSVFHWHKFXSFSE-AAEUAGOBSA-N -1 1 380.416 0.079 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H](c2ccco2)C1 ZINC001576191384 950196625 /nfs/dbraw/zinc/19/66/25/950196625.db2.gz HJYPIWPLVVARKV-ZYHUDNBSSA-N -1 1 385.384 0.722 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574495363 950200968 /nfs/dbraw/zinc/20/09/68/950200968.db2.gz SNBFFQLZKFXQAN-AAEUAGOBSA-N -1 1 382.432 0.233 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574155746 950206465 /nfs/dbraw/zinc/20/64/65/950206465.db2.gz REEDBBVCHSZODB-NWDGAFQWSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574155746 950206484 /nfs/dbraw/zinc/20/64/84/950206484.db2.gz REEDBBVCHSZODB-NWDGAFQWSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c2c(O)cccc21 ZINC001576191743 950209566 /nfs/dbraw/zinc/20/95/66/950209566.db2.gz JRAJLXUULJWSEK-SECBINFHSA-N -1 1 383.368 0.375 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574496104 950212337 /nfs/dbraw/zinc/21/23/37/950212337.db2.gz VPUVCEPLRKQFIL-GXTWGEPZSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191897 950214213 /nfs/dbraw/zinc/21/42/13/950214213.db2.gz IXAPLPNCJBKTNY-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191897 950214225 /nfs/dbraw/zinc/21/42/25/950214225.db2.gz IXAPLPNCJBKTNY-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574155981 950215070 /nfs/dbraw/zinc/21/50/70/950215070.db2.gz SVNJKNLHUHCGDU-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574155981 950215089 /nfs/dbraw/zinc/21/50/89/950215089.db2.gz SVNJKNLHUHCGDU-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191895 950215316 /nfs/dbraw/zinc/21/53/16/950215316.db2.gz IVTIKHKFXSZPRN-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191895 950215336 /nfs/dbraw/zinc/21/53/36/950215336.db2.gz IVTIKHKFXSZPRN-YPMHNXCESA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574155954 950217528 /nfs/dbraw/zinc/21/75/28/950217528.db2.gz SHLIGWVDUQLEQM-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574155954 950217548 /nfs/dbraw/zinc/21/75/48/950217548.db2.gz SHLIGWVDUQLEQM-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192000 950217893 /nfs/dbraw/zinc/21/78/93/950217893.db2.gz JIPSJUFGEGWSDD-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192000 950217912 /nfs/dbraw/zinc/21/79/12/950217912.db2.gz JIPSJUFGEGWSDD-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574156092 950220282 /nfs/dbraw/zinc/22/02/82/950220282.db2.gz WPBMKPKHBVDCJU-ACJLOTCBSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191972 950220380 /nfs/dbraw/zinc/22/03/80/950220380.db2.gz KXSLSMKQRQNSSN-OLZOCXBDSA-N -1 1 381.444 0.627 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192025 950220684 /nfs/dbraw/zinc/22/06/84/950220684.db2.gz JJURZNXHFBHKBI-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192025 950220700 /nfs/dbraw/zinc/22/07/00/950220700.db2.gz JJURZNXHFBHKBI-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1OCCCO1 ZINC001574156070 950222554 /nfs/dbraw/zinc/22/25/54/950222554.db2.gz VYNHECNLJVWDTJ-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1OCCCO1 ZINC001574156070 950222573 /nfs/dbraw/zinc/22/25/73/950222573.db2.gz VYNHECNLJVWDTJ-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192126 950226133 /nfs/dbraw/zinc/22/61/33/950226133.db2.gz JYCZRFSCTJUXGT-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192126 950226152 /nfs/dbraw/zinc/22/61/52/950226152.db2.gz JYCZRFSCTJUXGT-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192128 950227353 /nfs/dbraw/zinc/22/73/53/950227353.db2.gz JYCZRFSCTJUXGT-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192128 950227365 /nfs/dbraw/zinc/22/73/65/950227365.db2.gz JYCZRFSCTJUXGT-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574156165 950227700 /nfs/dbraw/zinc/22/77/00/950227700.db2.gz XXDJDRQMODFQOG-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574156165 950227723 /nfs/dbraw/zinc/22/77/23/950227723.db2.gz XXDJDRQMODFQOG-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1ccnc1 ZINC001574497340 950228449 /nfs/dbraw/zinc/22/84/49/950228449.db2.gz ZIJYPABBBGSDEC-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574497340 950228462 /nfs/dbraw/zinc/22/84/62/950228462.db2.gz ZIJYPABBBGSDEC-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192130 950228798 /nfs/dbraw/zinc/22/87/98/950228798.db2.gz JYCZRFSCTJUXGT-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192130 950228816 /nfs/dbraw/zinc/22/88/16/950228816.db2.gz JYCZRFSCTJUXGT-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001574157541 950239749 /nfs/dbraw/zinc/23/97/49/950239749.db2.gz CQNRVANCOJKFBR-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001574157541 950239771 /nfs/dbraw/zinc/23/97/71/950239771.db2.gz CQNRVANCOJKFBR-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574497768 950241096 /nfs/dbraw/zinc/24/10/96/950241096.db2.gz CNYMEGVBTWNEHU-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574497768 950241113 /nfs/dbraw/zinc/24/11/13/950241113.db2.gz CNYMEGVBTWNEHU-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnn1 ZINC001574157612 950245409 /nfs/dbraw/zinc/24/54/09/950245409.db2.gz FENZPMCMWVORRP-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnn1 ZINC001574157612 950245421 /nfs/dbraw/zinc/24/54/21/950245421.db2.gz FENZPMCMWVORRP-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192511 950251606 /nfs/dbraw/zinc/25/16/06/950251606.db2.gz OYCBEIVLTXWHCB-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192511 950251621 /nfs/dbraw/zinc/25/16/21/950251621.db2.gz OYCBEIVLTXWHCB-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192586 950253697 /nfs/dbraw/zinc/25/36/97/950253697.db2.gz NTZWLOHANYYYQU-NEPJUHHUSA-N -1 1 382.432 0.022 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574157952 950264425 /nfs/dbraw/zinc/26/44/25/950264425.db2.gz LQCPAEIZRSKVRN-SNVBAGLBSA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574157952 950264444 /nfs/dbraw/zinc/26/44/44/950264444.db2.gz LQCPAEIZRSKVRN-SNVBAGLBSA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574158063 950267767 /nfs/dbraw/zinc/26/77/67/950267767.db2.gz NTRPTCQZHBQZJU-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574158063 950267786 /nfs/dbraw/zinc/26/77/86/950267786.db2.gz NTRPTCQZHBQZJU-NEPJUHHUSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574498220 950267778 /nfs/dbraw/zinc/26/77/78/950267778.db2.gz LIOMZQMNMUIKSI-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574498220 950267801 /nfs/dbraw/zinc/26/78/01/950267801.db2.gz LIOMZQMNMUIKSI-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192896 950270510 /nfs/dbraw/zinc/27/05/10/950270510.db2.gz RFIDKUXNQDSVBS-CHWSQXEVSA-N -1 1 379.428 0.684 20 0 GCADMM C[C@@H](CC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CC1 ZINC001574498449 950273504 /nfs/dbraw/zinc/27/35/04/950273504.db2.gz NMVMTSBXZOIPQN-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CC1 ZINC001574498449 950273514 /nfs/dbraw/zinc/27/35/14/950273514.db2.gz NMVMTSBXZOIPQN-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574742280 950279181 /nfs/dbraw/zinc/27/91/81/950279181.db2.gz NJVQMALYZGAGPX-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574742280 950279202 /nfs/dbraw/zinc/27/92/02/950279202.db2.gz NJVQMALYZGAGPX-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc[nH]c1=O ZINC001574158862 950292966 /nfs/dbraw/zinc/29/29/66/950292966.db2.gz DGVZPSITQSWKAK-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc[nH]c1=O ZINC001574158862 950292979 /nfs/dbraw/zinc/29/29/79/950292979.db2.gz DGVZPSITQSWKAK-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574159231 950294503 /nfs/dbraw/zinc/29/45/03/950294503.db2.gz UMDYWBVBCGXFFE-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574159231 950294522 /nfs/dbraw/zinc/29/45/22/950294522.db2.gz UMDYWBVBCGXFFE-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@]1(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)OCCc2ccccc21 ZINC001575592781 950297612 /nfs/dbraw/zinc/29/76/12/950297612.db2.gz KNAKMISRKZGTMR-GOSISDBHSA-N -1 1 380.412 0.673 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574158917 950297540 /nfs/dbraw/zinc/29/75/40/950297540.db2.gz FMWCCXZFWNJIBG-DGCLKSJQSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574158917 950297561 /nfs/dbraw/zinc/29/75/61/950297561.db2.gz FMWCCXZFWNJIBG-DGCLKSJQSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@]1(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)OCCc2ccccc21 ZINC001575592781 950297640 /nfs/dbraw/zinc/29/76/40/950297640.db2.gz KNAKMISRKZGTMR-GOSISDBHSA-N -1 1 380.412 0.673 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)n1cccc1 ZINC001574499215 950298260 /nfs/dbraw/zinc/29/82/60/950298260.db2.gz TZOSGNXZLOTDEQ-CYBMUJFWSA-N -1 1 381.444 0.982 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001574159340 950303109 /nfs/dbraw/zinc/30/31/09/950303109.db2.gz FOPQJWDNUJRJTQ-STQMWFEESA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001574159340 950303126 /nfs/dbraw/zinc/30/31/26/950303126.db2.gz FOPQJWDNUJRJTQ-STQMWFEESA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574159312 950303488 /nfs/dbraw/zinc/30/34/88/950303488.db2.gz WDVYVPFLLANIMW-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574159312 950303509 /nfs/dbraw/zinc/30/35/09/950303509.db2.gz WDVYVPFLLANIMW-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)n1ccnc1 ZINC001574500323 950311495 /nfs/dbraw/zinc/31/14/95/950311495.db2.gz ZQURFMPXOCIIMK-LBPRGKRZSA-N -1 1 382.432 0.377 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573853415 950322223 /nfs/dbraw/zinc/32/22/23/950322223.db2.gz OPTGEWGZBRXTBZ-UHFFFAOYSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001573853954 950332204 /nfs/dbraw/zinc/33/22/04/950332204.db2.gz VGBUAJFXPPZSFU-WDEREUQCSA-N -1 1 378.389 0.560 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001573853954 950332224 /nfs/dbraw/zinc/33/22/24/950332224.db2.gz VGBUAJFXPPZSFU-WDEREUQCSA-N -1 1 378.389 0.560 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573854283 950340858 /nfs/dbraw/zinc/34/08/58/950340858.db2.gz ZBMLFZMVJHGRIF-LBPRGKRZSA-N -1 1 390.448 0.855 20 0 GCADMM 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/nfs/dbraw/zinc/34/78/47/950347847.db2.gz HEIBWJCTEGFIMT-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574501893 950347868 /nfs/dbraw/zinc/34/78/68/950347868.db2.gz HEIBWJCTEGFIMT-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574501881 950349015 /nfs/dbraw/zinc/34/90/15/950349015.db2.gz HCMKELXJSKSPSL-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573855339 950365428 /nfs/dbraw/zinc/36/54/28/950365428.db2.gz QXJGHPIKOYIVSR-JOYOIKCWSA-N -1 1 388.432 0.520 20 0 GCADMM CC1(C(=O)NC[C@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001575595997 950365832 /nfs/dbraw/zinc/36/58/32/950365832.db2.gz RGQDQLDNOAEQOR-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575595997 950365855 /nfs/dbraw/zinc/36/58/55/950365855.db2.gz RGQDQLDNOAEQOR-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574745028 950370644 /nfs/dbraw/zinc/37/06/44/950370644.db2.gz FHDGRVNYOMMVOD-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574745028 950370661 /nfs/dbraw/zinc/37/06/61/950370661.db2.gz FHDGRVNYOMMVOD-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574745157 950373805 /nfs/dbraw/zinc/37/38/05/950373805.db2.gz FZWPFCQUGHGFKM-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1OCCCO1 ZINC001574162059 950375426 /nfs/dbraw/zinc/37/54/26/950375426.db2.gz YNQFNXKHKVKYGG-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574745290 950375265 /nfs/dbraw/zinc/37/52/65/950375265.db2.gz HVOOFESGRBYYBC-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574745290 950375289 /nfs/dbraw/zinc/37/52/89/950375289.db2.gz HVOOFESGRBYYBC-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1OCCCO1 ZINC001574162059 950375445 /nfs/dbraw/zinc/37/54/45/950375445.db2.gz YNQFNXKHKVKYGG-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574162427 950380921 /nfs/dbraw/zinc/38/09/21/950380921.db2.gz ADYMGMQIZUXVMW-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574162427 950380942 /nfs/dbraw/zinc/38/09/42/950380942.db2.gz ADYMGMQIZUXVMW-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574502492 950384826 /nfs/dbraw/zinc/38/48/26/950384826.db2.gz OAAGVFMXKGTCEU-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574502492 950384837 /nfs/dbraw/zinc/38/48/37/950384837.db2.gz OAAGVFMXKGTCEU-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574745843 950385809 /nfs/dbraw/zinc/38/58/09/950385809.db2.gz LBDGHIGGPOUFNL-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574745843 950385828 /nfs/dbraw/zinc/38/58/28/950385828.db2.gz LBDGHIGGPOUFNL-SSDOTTSWSA-N -1 1 378.347 0.890 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCNC1=O ZINC001574162487 950386386 /nfs/dbraw/zinc/38/63/86/950386386.db2.gz BNNYGYZPTFOWEZ-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCNC1=O ZINC001574162487 950386406 /nfs/dbraw/zinc/38/64/06/950386406.db2.gz BNNYGYZPTFOWEZ-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573856561 950390392 /nfs/dbraw/zinc/39/03/92/950390392.db2.gz CVWIUNDKJSOPIW-MRXNPFEDSA-N -1 1 376.421 0.517 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574502829 950391133 /nfs/dbraw/zinc/39/11/33/950391133.db2.gz QUBCEFJRIOVGLZ-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574502829 950391154 /nfs/dbraw/zinc/39/11/54/950391154.db2.gz QUBCEFJRIOVGLZ-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574746746 950396149 /nfs/dbraw/zinc/39/61/49/950396149.db2.gz OUIWGCSJRHVBJP-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574746746 950396165 /nfs/dbraw/zinc/39/61/65/950396165.db2.gz OUIWGCSJRHVBJP-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573856828 950399014 /nfs/dbraw/zinc/39/90/14/950399014.db2.gz KLZWUXUNWBIBBV-XXFAHNHDSA-N -1 1 390.404 0.554 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573856828 950399028 /nfs/dbraw/zinc/39/90/28/950399028.db2.gz KLZWUXUNWBIBBV-XXFAHNHDSA-N -1 1 390.404 0.554 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574746774 950399929 /nfs/dbraw/zinc/39/99/29/950399929.db2.gz PCNGINYYQXXNGF-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(F)CCOC1 ZINC001574162805 950403674 /nfs/dbraw/zinc/40/36/74/950403674.db2.gz JKGUKNLOFNNTFQ-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(F)CCOC1 ZINC001574162805 950403687 /nfs/dbraw/zinc/40/36/87/950403687.db2.gz JKGUKNLOFNNTFQ-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H](O)C1 ZINC001573857145 950403808 /nfs/dbraw/zinc/40/38/08/950403808.db2.gz PUVUYNOZIUNXOB-NEPJUHHUSA-N -1 1 392.391 0.716 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H](O)C1 ZINC001573857145 950403823 /nfs/dbraw/zinc/40/38/23/950403823.db2.gz PUVUYNOZIUNXOB-NEPJUHHUSA-N -1 1 392.391 0.716 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CC1 ZINC001574503310 950407126 /nfs/dbraw/zinc/40/71/26/950407126.db2.gz UKNLGRCVZQGKQH-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CC1 ZINC001574503310 950407136 /nfs/dbraw/zinc/40/71/36/950407136.db2.gz UKNLGRCVZQGKQH-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001573857509 950407485 /nfs/dbraw/zinc/40/74/85/950407485.db2.gz SWHDNYCUFIVYEP-VIFPVBQESA-N -1 1 378.393 0.554 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574503442 950409374 /nfs/dbraw/zinc/40/93/74/950409374.db2.gz WHVYHTNGBBOFAV-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574503442 950409388 /nfs/dbraw/zinc/40/93/88/950409388.db2.gz WHVYHTNGBBOFAV-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574747513 950409802 /nfs/dbraw/zinc/40/98/02/950409802.db2.gz SZDXIDNUJNEJCS-ZETCQYMHSA-N -1 1 378.347 0.890 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCNC1=O ZINC001574162991 950415088 /nfs/dbraw/zinc/41/50/88/950415088.db2.gz OTUQQHWJHGXPGB-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001574162991 950415102 /nfs/dbraw/zinc/41/51/02/950415102.db2.gz OTUQQHWJHGXPGB-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574163127 950416509 /nfs/dbraw/zinc/41/65/09/950416509.db2.gz PUCQRRRYPNTCSS-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574163127 950416520 /nfs/dbraw/zinc/41/65/20/950416520.db2.gz PUCQRRRYPNTCSS-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccnn1 ZINC001574163388 950421846 /nfs/dbraw/zinc/42/18/46/950421846.db2.gz SZBGOTRXHYBRRQ-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccnn1 ZINC001574163388 950421858 /nfs/dbraw/zinc/42/18/58/950421858.db2.gz SZBGOTRXHYBRRQ-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573860377 950423213 /nfs/dbraw/zinc/42/32/13/950423213.db2.gz ICEKQZZCFVVREY-LLVKDONJSA-N -1 1 377.405 0.154 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573860377 950423227 /nfs/dbraw/zinc/42/32/27/950423227.db2.gz ICEKQZZCFVVREY-LLVKDONJSA-N -1 1 377.405 0.154 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccnc1 ZINC001574163527 950428576 /nfs/dbraw/zinc/42/85/76/950428576.db2.gz VMEQODUQXVFCNW-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccnc1 ZINC001574163527 950428589 /nfs/dbraw/zinc/42/85/89/950428589.db2.gz VMEQODUQXVFCNW-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cncn1C ZINC001574163557 950428931 /nfs/dbraw/zinc/42/89/31/950428931.db2.gz VYJFJLWFDUNYKM-LBPRGKRZSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cncn1C ZINC001574163557 950428942 /nfs/dbraw/zinc/42/89/42/950428942.db2.gz VYJFJLWFDUNYKM-LBPRGKRZSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574163569 950430521 /nfs/dbraw/zinc/43/05/21/950430521.db2.gz WFWFDLDYHZKRIC-ZDUSSCGKSA-N -1 1 388.476 0.526 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573861278 950445193 /nfs/dbraw/zinc/44/51/93/950445193.db2.gz WOTBLQRSKFCQKA-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573861278 950445211 /nfs/dbraw/zinc/44/52/11/950445211.db2.gz WOTBLQRSKFCQKA-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573861313 950445251 /nfs/dbraw/zinc/44/52/51/950445251.db2.gz YANPWOOLAXKCLP-PSASIEDQSA-N -1 1 378.393 0.458 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573861313 950445267 /nfs/dbraw/zinc/44/52/67/950445267.db2.gz YANPWOOLAXKCLP-PSASIEDQSA-N -1 1 378.393 0.458 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751204 950452363 /nfs/dbraw/zinc/45/23/63/950452363.db2.gz LCWSFABBZRARLQ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751204 950452370 /nfs/dbraw/zinc/45/23/70/950452370.db2.gz LCWSFABBZRARLQ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccnn1C ZINC001575912554 950466109 /nfs/dbraw/zinc/46/61/09/950466109.db2.gz HBCXWTDLQSIATL-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccnn1C ZINC001575912554 950466118 /nfs/dbraw/zinc/46/61/18/950466118.db2.gz HBCXWTDLQSIATL-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM CC(C)C[C@]1(C(=O)NCCCNc2cnc(-c3nnn[n-]3)cn2)CCNC1=O ZINC001574166426 950467439 /nfs/dbraw/zinc/46/74/39/950467439.db2.gz RPVQORRNVMHYID-KRWDZBQOSA-N -1 1 387.448 0.127 20 0 GCADMM CC(C)C[C@]1(C(=O)NCCCNc2cnc(-c3nn[n-]n3)cn2)CCNC1=O ZINC001574166426 950467448 /nfs/dbraw/zinc/46/74/48/950467448.db2.gz RPVQORRNVMHYID-KRWDZBQOSA-N -1 1 387.448 0.127 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575912639 950468894 /nfs/dbraw/zinc/46/88/94/950468894.db2.gz HXAZCDKOPVODDH-MWLCHTKSSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575912639 950468910 /nfs/dbraw/zinc/46/89/10/950468910.db2.gz HXAZCDKOPVODDH-MWLCHTKSSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575912633 950469177 /nfs/dbraw/zinc/46/91/77/950469177.db2.gz HVVTUHGOXLVWKY-ONGXEEELSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575912632 950470039 /nfs/dbraw/zinc/47/00/39/950470039.db2.gz HVVTUHGOXLVWKY-MWLCHTKSSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)(C)OC1CC(CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001573863314 950473019 /nfs/dbraw/zinc/47/30/19/950473019.db2.gz BHZOYJSITUZYGM-UHFFFAOYSA-N -1 1 391.432 0.229 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574508274 950476618 /nfs/dbraw/zinc/47/66/18/950476618.db2.gz NAUDQYAXMSXNQK-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574508274 950476636 /nfs/dbraw/zinc/47/66/36/950476636.db2.gz NAUDQYAXMSXNQK-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)CCC1 ZINC001574167800 950492377 /nfs/dbraw/zinc/49/23/77/950492377.db2.gz JRFFRZORIOQIHL-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)CCC1 ZINC001574167800 950492389 /nfs/dbraw/zinc/49/23/89/950492389.db2.gz JRFFRZORIOQIHL-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001574994866 950497034 /nfs/dbraw/zinc/49/70/34/950497034.db2.gz ASMMFFMHYBSUGJ-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574994866 950497051 /nfs/dbraw/zinc/49/70/51/950497051.db2.gz ASMMFFMHYBSUGJ-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574995307 950504437 /nfs/dbraw/zinc/50/44/37/950504437.db2.gz DFULCJAQFUDHMM-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574995307 950504458 /nfs/dbraw/zinc/50/44/58/950504458.db2.gz DFULCJAQFUDHMM-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573866766 950514281 /nfs/dbraw/zinc/51/42/81/950514281.db2.gz LSNVASLTPCOKKQ-KRWDZBQOSA-N -1 1 390.448 0.237 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573866766 950514305 /nfs/dbraw/zinc/51/43/05/950514305.db2.gz LSNVASLTPCOKKQ-KRWDZBQOSA-N -1 1 390.448 0.237 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574995691 950514934 /nfs/dbraw/zinc/51/49/34/950514934.db2.gz GUPPXPJFDYZFPB-SSDOTTSWSA-N -1 1 378.347 0.217 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573866758 950515609 /nfs/dbraw/zinc/51/56/09/950515609.db2.gz LJFDFEFEQFEEHF-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574996004 950521565 /nfs/dbraw/zinc/52/15/65/950521565.db2.gz JOJSWFYVDMZGLI-LURJTMIESA-N -1 1 382.310 0.051 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574509713 950525132 /nfs/dbraw/zinc/52/51/32/950525132.db2.gz XPWODZTXXMYQAK-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574509713 950525144 /nfs/dbraw/zinc/52/51/44/950525144.db2.gz XPWODZTXXMYQAK-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574996089 950525206 /nfs/dbraw/zinc/52/52/06/950525206.db2.gz KQQRLRRMSFPOTR-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)n[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574996089 950525216 /nfs/dbraw/zinc/52/52/16/950525216.db2.gz KQQRLRRMSFPOTR-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CC(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574509686 950527594 /nfs/dbraw/zinc/52/75/94/950527594.db2.gz VOZAIWNZVJTFSA-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)nn1C ZINC001574996665 950530741 /nfs/dbraw/zinc/53/07/41/950530741.db2.gz NYOZTALRUMCSQN-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)nn1C ZINC001574996665 950530758 /nfs/dbraw/zinc/53/07/58/950530758.db2.gz NYOZTALRUMCSQN-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575614395 950530888 /nfs/dbraw/zinc/53/08/88/950530888.db2.gz ARTXXLCUOFCNGB-AGIUHOORSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753682 950535881 /nfs/dbraw/zinc/53/58/81/950535881.db2.gz QDVLOGYFNIEZDU-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753682 950535899 /nfs/dbraw/zinc/53/58/99/950535899.db2.gz QDVLOGYFNIEZDU-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1nccnc1-c1nnn[n-]1 ZINC001574997090 950538468 /nfs/dbraw/zinc/53/84/68/950538468.db2.gz REYSFYWGCPTUDN-ZETCQYMHSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1nccnc1-c1nn[n-]n1 ZINC001574997090 950538485 /nfs/dbraw/zinc/53/84/85/950538485.db2.gz REYSFYWGCPTUDN-ZETCQYMHSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1F ZINC001574510047 950539421 /nfs/dbraw/zinc/53/94/21/950539421.db2.gz YUMYHZTTXIDRJX-JTQLQIEISA-N -1 1 387.375 0.578 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574997057 950539739 /nfs/dbraw/zinc/53/97/39/950539739.db2.gz QLXSMTQNCQXOFL-SNVBAGLBSA-N -1 1 384.448 0.340 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574510053 950539948 /nfs/dbraw/zinc/53/99/48/950539948.db2.gz YWUUWPXTQLKBLQ-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574510053 950539960 /nfs/dbraw/zinc/53/99/60/950539960.db2.gz YWUUWPXTQLKBLQ-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573868477 950541528 /nfs/dbraw/zinc/54/15/28/950541528.db2.gz CGILDYJLKUWTRG-GFCCVEGCSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573868477 950541551 /nfs/dbraw/zinc/54/15/51/950541551.db2.gz CGILDYJLKUWTRG-GFCCVEGCSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753766 950542482 /nfs/dbraw/zinc/54/24/82/950542482.db2.gz RNBAJYIVHBJUMZ-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753766 950542491 /nfs/dbraw/zinc/54/24/91/950542491.db2.gz RNBAJYIVHBJUMZ-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM CC(C)(C)OCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001573868461 950542887 /nfs/dbraw/zinc/54/28/87/950542887.db2.gz BYURIFPFCGUXRF-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C)OCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001573868461 950542901 /nfs/dbraw/zinc/54/29/01/950542901.db2.gz BYURIFPFCGUXRF-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573868682 950545019 /nfs/dbraw/zinc/54/50/19/950545019.db2.gz FYZCQZJQVHZYLU-LLVKDONJSA-N -1 1 376.465 0.837 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573868683 950546225 /nfs/dbraw/zinc/54/62/25/950546225.db2.gz FYZCQZJQVHZYLU-NSHDSACASA-N -1 1 376.465 0.837 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573869035 950549441 /nfs/dbraw/zinc/54/94/41/950549441.db2.gz JIIAWXQVATYJQC-OLZOCXBDSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573868916 950549661 /nfs/dbraw/zinc/54/96/61/950549661.db2.gz IFMUYTGDMJZATL-ZDUSSCGKSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573868916 950549684 /nfs/dbraw/zinc/54/96/84/950549684.db2.gz IFMUYTGDMJZATL-ZDUSSCGKSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccco1 ZINC001574511063 950551242 /nfs/dbraw/zinc/55/12/42/950551242.db2.gz FNOFTSFVEVOVCC-CYZMBNFOSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccco1 ZINC001574511063 950551256 /nfs/dbraw/zinc/55/12/56/950551256.db2.gz FNOFTSFVEVOVCC-CYZMBNFOSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)n1ccnc1 ZINC001574511372 950554033 /nfs/dbraw/zinc/55/40/33/950554033.db2.gz IYIJFFWCNUXILS-YRGRVCCFSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)n1ccnc1 ZINC001574511372 950554051 /nfs/dbraw/zinc/55/40/51/950554051.db2.gz IYIJFFWCNUXILS-YRGRVCCFSA-N -1 1 382.432 0.445 20 0 GCADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CC(F)(F)C1 ZINC001575614837 950555877 /nfs/dbraw/zinc/55/58/77/950555877.db2.gz RNDAUXMUNKFQRS-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CC(F)(F)C1 ZINC001575614837 950555894 /nfs/dbraw/zinc/55/58/94/950555894.db2.gz RNDAUXMUNKFQRS-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM CC1(C)c2cc(C(=O)Cn3c(=O)[nH]cc(-c4nn[n-]n4)c3=O)ccc2NC1=O ZINC001575614848 950556046 /nfs/dbraw/zinc/55/60/46/950556046.db2.gz RUJUGXNXGYDAOY-UHFFFAOYSA-N -1 1 381.352 0.242 20 0 GCADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001574171147 950556541 /nfs/dbraw/zinc/55/65/41/950556541.db2.gz OMGNRLTYNMTWFU-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573869175 950557790 /nfs/dbraw/zinc/55/77/90/950557790.db2.gz MCSCFLGZEJHYDG-QWHCGFSZSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574998796 950561275 /nfs/dbraw/zinc/56/12/75/950561275.db2.gz ACNOFPLQPVHKFF-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574998796 950561289 /nfs/dbraw/zinc/56/12/89/950561289.db2.gz ACNOFPLQPVHKFF-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1ccco1 ZINC001574511636 950566360 /nfs/dbraw/zinc/56/63/60/950566360.db2.gz PJXVBASIQJSQAI-UTUOFQBUSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1ccco1 ZINC001574511636 950566376 /nfs/dbraw/zinc/56/63/76/950566376.db2.gz PJXVBASIQJSQAI-UTUOFQBUSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1nccnc1-c1nnn[n-]1 ZINC001574999255 950573840 /nfs/dbraw/zinc/57/38/40/950573840.db2.gz HXVUTRAUHKELCJ-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1nccnc1-c1nn[n-]n1 ZINC001574999255 950573880 /nfs/dbraw/zinc/57/38/80/950573880.db2.gz HXVUTRAUHKELCJ-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575616012 950580417 /nfs/dbraw/zinc/58/04/17/950580417.db2.gz KTERZINXXNZOCD-UHFFFAOYSA-N -1 1 388.476 0.384 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccncn1 ZINC001575917565 950580678 /nfs/dbraw/zinc/58/06/78/950580678.db2.gz ZFQXNSKJLGTPLS-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccncn1 ZINC001575917565 950580685 /nfs/dbraw/zinc/58/06/85/950580685.db2.gz ZFQXNSKJLGTPLS-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999669 950583326 /nfs/dbraw/zinc/58/33/26/950583326.db2.gz LJTSBDCJXBJWEO-SECBINFHSA-N -1 1 375.824 0.903 20 0 GCADMM CC(C)(C)OCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573870125 950587368 /nfs/dbraw/zinc/58/73/68/950587368.db2.gz FCFGPKIUCJJCCD-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C)OCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573870125 950587388 /nfs/dbraw/zinc/58/73/88/950587388.db2.gz FCFGPKIUCJJCCD-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1(C)C ZINC001575616532 950588963 /nfs/dbraw/zinc/58/89/63/950588963.db2.gz QTTKIFDSSXCUSL-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1(C)C ZINC001575616532 950588982 /nfs/dbraw/zinc/58/89/82/950588982.db2.gz QTTKIFDSSXCUSL-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575000004 950591033 /nfs/dbraw/zinc/59/10/33/950591033.db2.gz NZKOTIOCYSQJON-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575000004 950591050 /nfs/dbraw/zinc/59/10/50/950591050.db2.gz NZKOTIOCYSQJON-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COC1CCCCC1 ZINC001575918424 950591874 /nfs/dbraw/zinc/59/18/74/950591874.db2.gz BUQUSNLXTWAIHA-OCCSQVGLSA-N -1 1 386.460 0.829 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574173427 950594214 /nfs/dbraw/zinc/59/42/14/950594214.db2.gz JAWACYPAWIZHAS-CQSZACIVSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574173427 950594234 /nfs/dbraw/zinc/59/42/34/950594234.db2.gz JAWACYPAWIZHAS-CQSZACIVSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1nccn2ccnc12 ZINC001575918500 950596582 /nfs/dbraw/zinc/59/65/82/950596582.db2.gz CSAZFTLZLXONHT-WDEREUQCSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1nccn2ccnc12 ZINC001575918500 950596604 /nfs/dbraw/zinc/59/66/04/950596604.db2.gz CSAZFTLZLXONHT-WDEREUQCSA-N -1 1 391.399 0.415 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574173807 950602145 /nfs/dbraw/zinc/60/21/45/950602145.db2.gz MYFFNVJDGGUBMX-CQSZACIVSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ncccc1F ZINC001575919026 950603680 /nfs/dbraw/zinc/60/36/80/950603680.db2.gz FNOFOYRPYUTXTM-PWSUYJOCSA-N -1 1 383.391 0.257 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ncccc1F ZINC001575919023 950603832 /nfs/dbraw/zinc/60/38/32/950603832.db2.gz FNOFOYRPYUTXTM-CMPLNLGQSA-N -1 1 383.391 0.257 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575000564 950606645 /nfs/dbraw/zinc/60/66/45/950606645.db2.gz QOZHQAFQQKGHRF-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575000564 950606657 /nfs/dbraw/zinc/60/66/57/950606657.db2.gz QOZHQAFQQKGHRF-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575919336 950611136 /nfs/dbraw/zinc/61/11/36/950611136.db2.gz GRARTDMKVYQHPR-WDEREUQCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575919336 950611154 /nfs/dbraw/zinc/61/11/54/950611154.db2.gz GRARTDMKVYQHPR-WDEREUQCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575919405 950616418 /nfs/dbraw/zinc/61/64/18/950616418.db2.gz HTHBJGIOLGFVTK-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575919405 950616431 /nfs/dbraw/zinc/61/64/31/950616431.db2.gz HTHBJGIOLGFVTK-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575919677 950619824 /nfs/dbraw/zinc/61/98/24/950619824.db2.gz JRHRPIWVZZCQBR-JQWIXIFHSA-N -1 1 379.428 0.611 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573871548 950619957 /nfs/dbraw/zinc/61/99/57/950619957.db2.gz RPQLQPBSIZVSDZ-LBPRGKRZSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573871548 950619972 /nfs/dbraw/zinc/61/99/72/950619972.db2.gz RPQLQPBSIZVSDZ-LBPRGKRZSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573871516 950620079 /nfs/dbraw/zinc/62/00/79/950620079.db2.gz QAVITTFCXKVXHU-ZETCQYMHSA-N -1 1 389.869 0.681 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573871516 950620095 /nfs/dbraw/zinc/62/00/95/950620095.db2.gz QAVITTFCXKVXHU-ZETCQYMHSA-N -1 1 389.869 0.681 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575919857 950623200 /nfs/dbraw/zinc/62/32/00/950623200.db2.gz KQQGYMBCZRFZIP-CABZTGNLSA-N -1 1 385.819 0.842 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575001158 950623631 /nfs/dbraw/zinc/62/36/31/950623631.db2.gz ULLMPQPNXTVATG-SNVBAGLBSA-N -1 1 382.432 0.168 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)n1cccn1 ZINC001574515137 950624856 /nfs/dbraw/zinc/62/48/56/950624856.db2.gz AEJSJPSAEJKOSA-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)n1cccn1 ZINC001574515137 950624869 /nfs/dbraw/zinc/62/48/69/950624869.db2.gz AEJSJPSAEJKOSA-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575001189 950625896 /nfs/dbraw/zinc/62/58/96/950625896.db2.gz VCUGOOMXCKTGSS-MRVPVSSYSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575001189 950625908 /nfs/dbraw/zinc/62/59/08/950625908.db2.gz VCUGOOMXCKTGSS-MRVPVSSYSA-N -1 1 390.358 0.862 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575620301 950627685 /nfs/dbraw/zinc/62/76/85/950627685.db2.gz VSMOVLWEPAMNNI-LLVKDONJSA-N -1 1 386.460 0.978 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575620301 950627696 /nfs/dbraw/zinc/62/76/96/950627696.db2.gz VSMOVLWEPAMNNI-LLVKDONJSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920635 950633625 /nfs/dbraw/zinc/63/36/25/950633625.db2.gz MRZYPLSEIDKWPA-MWLCHTKSSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575921437 950635007 /nfs/dbraw/zinc/63/50/07/950635007.db2.gz NVWLMXUDLCQROJ-XKVPIDEUSA-N -1 1 380.456 0.772 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574516952 950636521 /nfs/dbraw/zinc/63/65/21/950636521.db2.gz JDDBSGLFNKVVNO-MGPQQGTHSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575001703 950639823 /nfs/dbraw/zinc/63/98/23/950639823.db2.gz XZAJDDOBUHDYFQ-VIFPVBQESA-N -1 1 381.400 0.865 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575001703 950639845 /nfs/dbraw/zinc/63/98/45/950639845.db2.gz XZAJDDOBUHDYFQ-VIFPVBQESA-N -1 1 381.400 0.865 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575921564 950639923 /nfs/dbraw/zinc/63/99/23/950639923.db2.gz NZUWTIVMACUDMO-SMDDNHRTSA-N -1 1 392.423 0.729 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575921578 950642203 /nfs/dbraw/zinc/64/22/03/950642203.db2.gz NZWMALBGFFIBOI-JQWIXIFHSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575921578 950642219 /nfs/dbraw/zinc/64/22/19/950642219.db2.gz NZWMALBGFFIBOI-JQWIXIFHSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001575922496 950646893 /nfs/dbraw/zinc/64/68/93/950646893.db2.gz PPWMFIYOVSXKNR-CMPLNLGQSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccnc1 ZINC001575923269 950654526 /nfs/dbraw/zinc/65/45/26/950654526.db2.gz QCYSOPZBSWMBDI-JSGCOSHPSA-N -1 1 379.428 0.508 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574518677 950656019 /nfs/dbraw/zinc/65/60/19/950656019.db2.gz PLYGOKRJQBZXEF-DRZSPHRISA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574518677 950656038 /nfs/dbraw/zinc/65/60/38/950656038.db2.gz PLYGOKRJQBZXEF-DRZSPHRISA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575923279 950656484 /nfs/dbraw/zinc/65/64/84/950656484.db2.gz QDJSQWDCWPLNHI-RKDXNWHRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575923279 950656501 /nfs/dbraw/zinc/65/65/01/950656501.db2.gz QDJSQWDCWPLNHI-RKDXNWHRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574518878 950659099 /nfs/dbraw/zinc/65/90/99/950659099.db2.gz RIJOGMVDFUWXJF-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574518878 950659117 /nfs/dbraw/zinc/65/91/17/950659117.db2.gz RIJOGMVDFUWXJF-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575923669 950662580 /nfs/dbraw/zinc/66/25/80/950662580.db2.gz DAIRQPKBCUHPBV-WPRPVWTQSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575923669 950662595 /nfs/dbraw/zinc/66/25/95/950662595.db2.gz DAIRQPKBCUHPBV-WPRPVWTQSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575923666 950664102 /nfs/dbraw/zinc/66/41/02/950664102.db2.gz DAIRQPKBCUHPBV-WCBMZHEXSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575923666 950664118 /nfs/dbraw/zinc/66/41/18/950664118.db2.gz DAIRQPKBCUHPBV-WCBMZHEXSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002751 950669417 /nfs/dbraw/zinc/66/94/17/950669417.db2.gz WMKSLFAVCQZODY-LLVKDONJSA-N -1 1 382.432 0.018 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576214435 950669742 /nfs/dbraw/zinc/66/97/42/950669742.db2.gz AKNPGUMKFHXJEV-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576214435 950669752 /nfs/dbraw/zinc/66/97/52/950669752.db2.gz AKNPGUMKFHXJEV-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576214434 950670578 /nfs/dbraw/zinc/67/05/78/950670578.db2.gz AKNPGUMKFHXJEV-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576214434 950670591 /nfs/dbraw/zinc/67/05/91/950670591.db2.gz AKNPGUMKFHXJEV-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576214491 950671043 /nfs/dbraw/zinc/67/10/43/950671043.db2.gz AVZREPWJWUAFLR-IUCAKERBSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760607 950671553 /nfs/dbraw/zinc/67/15/53/950671553.db2.gz JWBNTNOYLSNPRT-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760607 950671568 /nfs/dbraw/zinc/67/15/68/950671568.db2.gz JWBNTNOYLSNPRT-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575924276 950672687 /nfs/dbraw/zinc/67/26/87/950672687.db2.gz RYQZQESHGJPOKA-MWLCHTKSSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575002869 950673028 /nfs/dbraw/zinc/67/30/28/950673028.db2.gz XRFOUIJJLGRIRO-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575002869 950673040 /nfs/dbraw/zinc/67/30/40/950673040.db2.gz XRFOUIJJLGRIRO-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccn2nccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760706 950677666 /nfs/dbraw/zinc/67/76/66/950677666.db2.gz YHHFIHRNGANIHM-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccn2nccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760706 950677672 /nfs/dbraw/zinc/67/76/72/950677672.db2.gz YHHFIHRNGANIHM-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncn1C ZINC001575925074 950679505 /nfs/dbraw/zinc/67/95/05/950679505.db2.gz GIFCVGHCPLWNBT-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925182 950680272 /nfs/dbraw/zinc/68/02/72/950680272.db2.gz SZGXBLJUNOZPIA-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925182 950680285 /nfs/dbraw/zinc/68/02/85/950680285.db2.gz SZGXBLJUNOZPIA-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)cn2C1 ZINC001576214718 950680434 /nfs/dbraw/zinc/68/04/34/950680434.db2.gz BTACMYDZCLFLFQ-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)cn2C1 ZINC001576214718 950680445 /nfs/dbraw/zinc/68/04/45/950680445.db2.gz BTACMYDZCLFLFQ-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925196 950681075 /nfs/dbraw/zinc/68/10/75/950681075.db2.gz SZGXBLJUNOZPIA-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925196 950681087 /nfs/dbraw/zinc/68/10/87/950681087.db2.gz SZGXBLJUNOZPIA-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574519442 950681362 /nfs/dbraw/zinc/68/13/62/950681362.db2.gz VZDBISIVXILIJC-RAIGVLPGSA-N -1 1 382.432 0.065 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576214839 950681912 /nfs/dbraw/zinc/68/19/12/950681912.db2.gz CPQGOCSJBYUWQC-QMTHXVAHSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576214813 950682014 /nfs/dbraw/zinc/68/20/14/950682014.db2.gz CJCBQQYJTXSQBN-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576214813 950682029 /nfs/dbraw/zinc/68/20/29/950682029.db2.gz CJCBQQYJTXSQBN-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cc[n+]([O-])cc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575005442 950686088 /nfs/dbraw/zinc/68/60/88/950686088.db2.gz FHIUPHWVOVYJJP-SSDOTTSWSA-N -1 1 380.821 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760913 950686962 /nfs/dbraw/zinc/68/69/62/950686962.db2.gz OJSNCMBFBQXUKM-SNVBAGLBSA-N -1 1 380.416 0.319 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575925845 950692460 /nfs/dbraw/zinc/69/24/60/950692460.db2.gz VJZFOHAPCXNXAI-JGVFFNPUSA-N -1 1 391.848 0.904 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575005630 950692710 /nfs/dbraw/zinc/69/27/10/950692710.db2.gz JIZOTJCGWOONSC-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575005630 950692723 /nfs/dbraw/zinc/69/27/23/950692723.db2.gz JIZOTJCGWOONSC-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575005631 950693394 /nfs/dbraw/zinc/69/33/94/950693394.db2.gz JIZOTJCGWOONSC-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575005631 950693411 /nfs/dbraw/zinc/69/34/11/950693411.db2.gz JIZOTJCGWOONSC-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574179085 950694800 /nfs/dbraw/zinc/69/48/00/950694800.db2.gz APIYFRIVZKRFTG-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574179085 950694818 /nfs/dbraw/zinc/69/48/18/950694818.db2.gz APIYFRIVZKRFTG-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574179145 950695447 /nfs/dbraw/zinc/69/54/47/950695447.db2.gz BTMLLOXMPNQOMT-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574179145 950695461 /nfs/dbraw/zinc/69/54/61/950695461.db2.gz BTMLLOXMPNQOMT-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC1(C)CC(C(=O)N2CCC(O)(CNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001575625844 950696453 /nfs/dbraw/zinc/69/64/53/950696453.db2.gz YHMBDLQZFPNEKW-UHFFFAOYSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC(C(=O)N2CCC(O)(CNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001575625844 950696468 /nfs/dbraw/zinc/69/64/68/950696468.db2.gz YHMBDLQZFPNEKW-UHFFFAOYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575005995 950706481 /nfs/dbraw/zinc/70/64/81/950706481.db2.gz PMAGMSITRRBGDP-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575005995 950706496 /nfs/dbraw/zinc/70/64/96/950706496.db2.gz PMAGMSITRRBGDP-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CCCO1 ZINC001574520012 950707056 /nfs/dbraw/zinc/70/70/56/950707056.db2.gz ZSBLZOKQKBYNND-CQUYNDQOSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccnn1C ZINC001575926394 950708287 /nfs/dbraw/zinc/70/82/87/950708287.db2.gz JQODYTNWNYZZRH-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccnn1C ZINC001575926394 950708302 /nfs/dbraw/zinc/70/83/02/950708302.db2.gz JQODYTNWNYZZRH-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576215749 950709786 /nfs/dbraw/zinc/70/97/86/950709786.db2.gz GFQSUUDIBVVEFW-UWVGGRQHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575926322 950710067 /nfs/dbraw/zinc/71/00/67/950710067.db2.gz JHLXTECSRNMGAN-ONGXEEELSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575926322 950710080 /nfs/dbraw/zinc/71/00/80/950710080.db2.gz JHLXTECSRNMGAN-ONGXEEELSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575926455 950710225 /nfs/dbraw/zinc/71/02/25/950710225.db2.gz KBTAABOGWBSLNH-RKDXNWHRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575926455 950710246 /nfs/dbraw/zinc/71/02/46/950710246.db2.gz KBTAABOGWBSLNH-RKDXNWHRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763421 950715026 /nfs/dbraw/zinc/71/50/26/950715026.db2.gz ASOLCWPYXJTXIQ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763421 950715046 /nfs/dbraw/zinc/71/50/46/950715046.db2.gz ASOLCWPYXJTXIQ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)cn2C1 ZINC001576215881 950715065 /nfs/dbraw/zinc/71/50/65/950715065.db2.gz GXHIBUUEPDNNMM-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)cn2C1 ZINC001576215881 950715088 /nfs/dbraw/zinc/71/50/88/950715088.db2.gz GXHIBUUEPDNNMM-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763420 950715344 /nfs/dbraw/zinc/71/53/44/950715344.db2.gz ASKPDBFIBDFMQP-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763420 950715363 /nfs/dbraw/zinc/71/53/63/950715363.db2.gz ASKPDBFIBDFMQP-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574763470 950716947 /nfs/dbraw/zinc/71/69/47/950716947.db2.gz BTLNWXVNMCODQP-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574763470 950716963 /nfs/dbraw/zinc/71/69/63/950716963.db2.gz BTLNWXVNMCODQP-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001576215916 950719416 /nfs/dbraw/zinc/71/94/16/950719416.db2.gz HDGIQJQQPSTGAP-ZANVPECISA-N -1 1 384.448 0.652 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926861 950725914 /nfs/dbraw/zinc/72/59/14/950725914.db2.gz YRZDSRNTSQGAHL-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926861 950725930 /nfs/dbraw/zinc/72/59/30/950725930.db2.gz YRZDSRNTSQGAHL-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575926905 950726143 /nfs/dbraw/zinc/72/61/43/950726143.db2.gz ZAFONMWUSYJUNB-ZYHUDNBSSA-N -1 1 385.457 0.569 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)no1 ZINC001573879723 950726436 /nfs/dbraw/zinc/72/64/36/950726436.db2.gz IZZCZEHSPUAFRA-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)no1 ZINC001573879723 950726451 /nfs/dbraw/zinc/72/64/51/950726451.db2.gz IZZCZEHSPUAFRA-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216294 950727838 /nfs/dbraw/zinc/72/78/38/950727838.db2.gz HOPJPJPMWQLVPW-QWRGUYRKSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576216308 950728649 /nfs/dbraw/zinc/72/86/49/950728649.db2.gz DGRGEOMIRBIUPA-KZULUSFZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576216308 950728663 /nfs/dbraw/zinc/72/86/63/950728663.db2.gz DGRGEOMIRBIUPA-KZULUSFZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763731 950729581 /nfs/dbraw/zinc/72/95/81/950729581.db2.gz JCIULSUCIYIFFT-MRVPVSSYSA-N -1 1 376.812 0.038 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)no1 ZINC001573879690 950729757 /nfs/dbraw/zinc/72/97/57/950729757.db2.gz IUHIFKPKKQEAPM-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)no1 ZINC001573879690 950729778 /nfs/dbraw/zinc/72/97/78/950729778.db2.gz IUHIFKPKKQEAPM-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575927049 950729669 /nfs/dbraw/zinc/72/96/69/950729669.db2.gz ZUUPYLGVDRIXQC-WDEREUQCSA-N -1 1 385.457 0.569 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763787 950730513 /nfs/dbraw/zinc/73/05/13/950730513.db2.gz KWGYRWFHHQLGOL-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763787 950730523 /nfs/dbraw/zinc/73/05/23/950730523.db2.gz KWGYRWFHHQLGOL-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575927056 950730734 /nfs/dbraw/zinc/73/07/34/950730734.db2.gz ZWJXQOJCSZFDIC-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575927056 950730746 /nfs/dbraw/zinc/73/07/46/950730746.db2.gz ZWJXQOJCSZFDIC-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001576216392 950731539 /nfs/dbraw/zinc/73/15/39/950731539.db2.gz IWGLRDGOOILJQH-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001576216392 950731555 /nfs/dbraw/zinc/73/15/55/950731555.db2.gz IWGLRDGOOILJQH-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576216367 950732064 /nfs/dbraw/zinc/73/20/64/950732064.db2.gz ILDDTNCZHWYLGF-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576216367 950732076 /nfs/dbraw/zinc/73/20/76/950732076.db2.gz ILDDTNCZHWYLGF-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)CC(C(=O)NC[C@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)CCO2)C1 ZINC001575629103 950732736 /nfs/dbraw/zinc/73/27/36/950732736.db2.gz LJJVUNVDRQVIAW-GOSISDBHSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(C(=O)NC[C@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001575629103 950732748 /nfs/dbraw/zinc/73/27/48/950732748.db2.gz LJJVUNVDRQVIAW-GOSISDBHSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763816 950734950 /nfs/dbraw/zinc/73/49/50/950734950.db2.gz LLYMUDBQCCIHFJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763816 950734960 /nfs/dbraw/zinc/73/49/60/950734960.db2.gz LLYMUDBQCCIHFJ-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)[nH]n1 ZINC001573880231 950739221 /nfs/dbraw/zinc/73/92/21/950739221.db2.gz UXNRYGVLJJAUIW-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763960 950740799 /nfs/dbraw/zinc/74/07/99/950740799.db2.gz NVYHIVANZKWRHK-MRVPVSSYSA-N -1 1 376.812 0.038 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574181444 950743554 /nfs/dbraw/zinc/74/35/54/950743554.db2.gz NGFMCOGIDDYFIG-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574181444 950743571 /nfs/dbraw/zinc/74/35/71/950743571.db2.gz NGFMCOGIDDYFIG-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)c2C1 ZINC001576216946 950743835 /nfs/dbraw/zinc/74/38/35/950743835.db2.gz KKPZEUWEGIYMBX-SNVBAGLBSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccco1 ZINC001574520650 950744424 /nfs/dbraw/zinc/74/44/24/950744424.db2.gz WDEYXJUJBKHBJB-KVFJLYFUSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccco1 ZINC001574520650 950744437 /nfs/dbraw/zinc/74/44/37/950744437.db2.gz WDEYXJUJBKHBJB-KVFJLYFUSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575927339 950744733 /nfs/dbraw/zinc/74/47/33/950744733.db2.gz PGXYKEWWODHGSE-KOLCDFICSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575927339 950744751 /nfs/dbraw/zinc/74/47/51/950744751.db2.gz PGXYKEWWODHGSE-KOLCDFICSA-N -1 1 380.416 0.584 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574181300 950745658 /nfs/dbraw/zinc/74/56/58/950745658.db2.gz LGNJHPLRYYBUJL-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574181300 950745673 /nfs/dbraw/zinc/74/56/73/950745673.db2.gz LGNJHPLRYYBUJL-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574181771 950748201 /nfs/dbraw/zinc/74/82/01/950748201.db2.gz PYQWCWAKCSSYDY-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574181771 950748226 /nfs/dbraw/zinc/74/82/26/950748226.db2.gz PYQWCWAKCSSYDY-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574181772 950748259 /nfs/dbraw/zinc/74/82/59/950748259.db2.gz PYQWCWAKCSSYDY-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574181772 950748278 /nfs/dbraw/zinc/74/82/78/950748278.db2.gz PYQWCWAKCSSYDY-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216969 950748736 /nfs/dbraw/zinc/74/87/36/950748736.db2.gz LEWWWWQUSXIEMW-NXEZZACHSA-N -1 1 382.432 0.157 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764744 950760463 /nfs/dbraw/zinc/76/04/63/950760463.db2.gz XPXYATFKIFOGID-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764744 950760479 /nfs/dbraw/zinc/76/04/79/950760479.db2.gz XPXYATFKIFOGID-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM CC1(C)CC(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCCO2)C1 ZINC001575630341 950761770 /nfs/dbraw/zinc/76/17/70/950761770.db2.gz BMCFKFZFTZEUAT-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2ncccn2n1 ZINC001575927937 950763892 /nfs/dbraw/zinc/76/38/92/950763892.db2.gz WJTSHFWUCHENGP-GHMZBOCLSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2ncccn2n1 ZINC001575927937 950763905 /nfs/dbraw/zinc/76/39/05/950763905.db2.gz WJTSHFWUCHENGP-GHMZBOCLSA-N -1 1 391.399 0.415 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574182784 950764720 /nfs/dbraw/zinc/76/47/20/950764720.db2.gz YPTYYKSCQCVXGN-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574182784 950764736 /nfs/dbraw/zinc/76/47/36/950764736.db2.gz YPTYYKSCQCVXGN-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H]1CCn2cc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)nc2C1 ZINC001576217724 950769162 /nfs/dbraw/zinc/76/91/62/950769162.db2.gz OEPNLQCHAIIPDV-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCn2cc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)nc2C1 ZINC001576217724 950769177 /nfs/dbraw/zinc/76/91/77/950769177.db2.gz OEPNLQCHAIIPDV-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2nncn2c1 ZINC001575928044 950769989 /nfs/dbraw/zinc/76/99/89/950769989.db2.gz YCRJJASKSKCKLK-ZYHUDNBSSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2nncn2c1 ZINC001575928044 950770012 /nfs/dbraw/zinc/77/00/12/950770012.db2.gz YCRJJASKSKCKLK-ZYHUDNBSSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765025 950769828 /nfs/dbraw/zinc/76/98/28/950769828.db2.gz CAHZNQBEGFYYQI-SNVBAGLBSA-N -1 1 385.432 0.937 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)C1 ZINC001575631200 950774958 /nfs/dbraw/zinc/77/49/58/950774958.db2.gz LNJDKQWYCFIODM-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)C1 ZINC001575631200 950774974 /nfs/dbraw/zinc/77/49/74/950774974.db2.gz LNJDKQWYCFIODM-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576218059 950777055 /nfs/dbraw/zinc/77/70/55/950777055.db2.gz KOEGMQBULKLMTG-XIKOKIGWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575928141 950777303 /nfs/dbraw/zinc/77/73/03/950777303.db2.gz ZCZXCYTXXJQEPV-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575928141 950777316 /nfs/dbraw/zinc/77/73/16/950777316.db2.gz ZCZXCYTXXJQEPV-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576218279 950780876 /nfs/dbraw/zinc/78/08/76/950780876.db2.gz PWEHBNUVNQFESA-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576218279 950780887 /nfs/dbraw/zinc/78/08/87/950780887.db2.gz PWEHBNUVNQFESA-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218417 950789274 /nfs/dbraw/zinc/78/92/74/950789274.db2.gz RKKLPCQUSBVFBT-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218417 950789289 /nfs/dbraw/zinc/78/92/89/950789289.db2.gz RKKLPCQUSBVFBT-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)C1 ZINC001575632146 950791458 /nfs/dbraw/zinc/79/14/58/950791458.db2.gz BXPYLGURGYPDNO-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)C1 ZINC001575632146 950791460 /nfs/dbraw/zinc/79/14/60/950791460.db2.gz BXPYLGURGYPDNO-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)O1 ZINC001576218812 950793589 /nfs/dbraw/zinc/79/35/89/950793589.db2.gz MRIOAZQVLMCXBO-KZULUSFZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)O1 ZINC001576218812 950793603 /nfs/dbraw/zinc/79/36/03/950793603.db2.gz MRIOAZQVLMCXBO-KZULUSFZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)O1 ZINC001576218808 950796020 /nfs/dbraw/zinc/79/60/20/950796020.db2.gz MRIOAZQVLMCXBO-KPZWWZAWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)O1 ZINC001576218808 950796037 /nfs/dbraw/zinc/79/60/37/950796037.db2.gz MRIOAZQVLMCXBO-KPZWWZAWSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884439 950795984 /nfs/dbraw/zinc/79/59/84/950795984.db2.gz MUHHPBDZWTXPFY-SNVBAGLBSA-N -1 1 382.432 0.426 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575632485 950800974 /nfs/dbraw/zinc/80/09/74/950800974.db2.gz JJQAQPYQAOYYEY-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575632485 950800995 /nfs/dbraw/zinc/80/09/95/950800995.db2.gz JJQAQPYQAOYYEY-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)co1 ZINC001573884649 950801545 /nfs/dbraw/zinc/80/15/45/950801545.db2.gz HNARGBHOVQCXOX-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)co1 ZINC001573884649 950801562 /nfs/dbraw/zinc/80/15/62/950801562.db2.gz HNARGBHOVQCXOX-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)C1 ZINC001575632890 950803788 /nfs/dbraw/zinc/80/37/88/950803788.db2.gz OYSPTAJFOLSVRL-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001575632890 950803805 /nfs/dbraw/zinc/80/38/05/950803805.db2.gz OYSPTAJFOLSVRL-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575632764 950806132 /nfs/dbraw/zinc/80/61/32/950806132.db2.gz MKRDGVWIRJOUIV-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575632764 950806153 /nfs/dbraw/zinc/80/61/53/950806153.db2.gz MKRDGVWIRJOUIV-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)CCCC(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574186310 950807803 /nfs/dbraw/zinc/80/78/03/950807803.db2.gz CMPJRRHUBRWBPC-UHFFFAOYSA-N -1 1 388.476 0.670 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576219644 950808570 /nfs/dbraw/zinc/80/85/70/950808570.db2.gz TUXBZQVSTMBBHD-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576219644 950808591 /nfs/dbraw/zinc/80/85/91/950808591.db2.gz TUXBZQVSTMBBHD-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574766214 950812536 /nfs/dbraw/zinc/81/25/36/950812536.db2.gz MARLKSHYVSXGGW-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574766214 950812551 /nfs/dbraw/zinc/81/25/51/950812551.db2.gz MARLKSHYVSXGGW-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)(C)c1nnc(N2CCS(=O)CC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573885022 950813123 /nfs/dbraw/zinc/81/31/23/950813123.db2.gz MFIUSSVPUMHJIH-UHFFFAOYSA-N -1 1 390.473 0.966 20 0 GCADMM CC(C)(C)c1nnc(N2CCS(=O)CC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573885022 950813146 /nfs/dbraw/zinc/81/31/46/950813146.db2.gz MFIUSSVPUMHJIH-UHFFFAOYSA-N -1 1 390.473 0.966 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576219790 950816830 /nfs/dbraw/zinc/81/68/30/950816830.db2.gz UQBFEFONJRQVRW-ZUZCIYMTSA-N -1 1 382.432 0.616 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)C1 ZINC001575633767 950820639 /nfs/dbraw/zinc/82/06/39/950820639.db2.gz WUTCOLCIVIUJMD-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)C1 ZINC001575633767 950820674 /nfs/dbraw/zinc/82/06/74/950820674.db2.gz WUTCOLCIVIUJMD-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001575633760 950822450 /nfs/dbraw/zinc/82/24/50/950822450.db2.gz WMAVDHRZSJQGHY-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573885411 950823128 /nfs/dbraw/zinc/82/31/28/950823128.db2.gz RCVRMHMAAUCPLB-UHFFFAOYSA-N -1 1 385.432 0.723 20 0 GCADMM CC(C)(C)c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573885411 950823153 /nfs/dbraw/zinc/82/31/53/950823153.db2.gz RCVRMHMAAUCPLB-UHFFFAOYSA-N -1 1 385.432 0.723 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576220221 950825605 /nfs/dbraw/zinc/82/56/05/950825605.db2.gz WKJZXPRWGLALIG-NXEZZACHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576220221 950825618 /nfs/dbraw/zinc/82/56/18/950825618.db2.gz WKJZXPRWGLALIG-NXEZZACHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220235 950826539 /nfs/dbraw/zinc/82/65/39/950826539.db2.gz WOBHFADDURGKRM-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220235 950826556 /nfs/dbraw/zinc/82/65/56/950826556.db2.gz WOBHFADDURGKRM-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575634057 950826787 /nfs/dbraw/zinc/82/67/87/950826787.db2.gz YVVIITUIBFUCCE-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575634057 950826809 /nfs/dbraw/zinc/82/68/09/950826809.db2.gz YVVIITUIBFUCCE-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)c1nc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)co1 ZINC001573885498 950828164 /nfs/dbraw/zinc/82/81/64/950828164.db2.gz SMPWMSMDTOABNJ-UHFFFAOYSA-N -1 1 387.404 0.964 20 0 GCADMM CC(C)(C)c1nc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)co1 ZINC001573885498 950828190 /nfs/dbraw/zinc/82/81/90/950828190.db2.gz SMPWMSMDTOABNJ-UHFFFAOYSA-N -1 1 387.404 0.964 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575932789 950834173 /nfs/dbraw/zinc/83/41/73/950834173.db2.gz MVGNXRQHOJBAGX-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575932789 950834196 /nfs/dbraw/zinc/83/41/96/950834196.db2.gz MVGNXRQHOJBAGX-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)c1nc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cs1 ZINC001573885560 950835606 /nfs/dbraw/zinc/83/56/06/950835606.db2.gz UBLBHQQQBVSZLJ-UHFFFAOYSA-N -1 1 390.429 0.313 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1nccn1C ZINC001575932848 950837100 /nfs/dbraw/zinc/83/71/00/950837100.db2.gz NHSVAIRKPVNOAQ-NWDGAFQWSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccn1C ZINC001575932848 950837122 /nfs/dbraw/zinc/83/71/22/950837122.db2.gz NHSVAIRKPVNOAQ-NWDGAFQWSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)c2C1 ZINC001576220890 950839707 /nfs/dbraw/zinc/83/97/07/950839707.db2.gz XPNNAODCOAIVSB-VIFPVBQESA-N -1 1 384.448 0.725 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c2C1 ZINC001576220890 950839730 /nfs/dbraw/zinc/83/97/30/950839730.db2.gz XPNNAODCOAIVSB-VIFPVBQESA-N -1 1 384.448 0.725 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccc(-c4nnn[n-]4)nn3)c2C1 ZINC001576220884 950844554 /nfs/dbraw/zinc/84/45/54/950844554.db2.gz XOWJBYKDIQFMIX-JTQLQIEISA-N -1 1 382.432 0.689 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccc(-c4nn[n-]n4)nn3)c2C1 ZINC001576220884 950844576 /nfs/dbraw/zinc/84/45/76/950844576.db2.gz XOWJBYKDIQFMIX-JTQLQIEISA-N -1 1 382.432 0.689 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221304 950852309 /nfs/dbraw/zinc/85/23/09/950852309.db2.gz ZGGCNLYBTAFNGY-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221304 950852337 /nfs/dbraw/zinc/85/23/37/950852337.db2.gz ZGGCNLYBTAFNGY-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767454 950852864 /nfs/dbraw/zinc/85/28/64/950852864.db2.gz OPPDDTQWHYTTAE-ZETCQYMHSA-N -1 1 379.331 0.577 20 0 GCADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576221584 950857809 /nfs/dbraw/zinc/85/78/09/950857809.db2.gz VRQHXMHKLICKLO-VHSXEESVSA-N -1 1 378.387 0.773 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576221587 950859984 /nfs/dbraw/zinc/85/99/84/950859984.db2.gz VRQHXMHKLICKLO-ZJUUUORDSA-N -1 1 378.387 0.773 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(N3CCOCC3)n2)n1 ZINC001573888024 950861723 /nfs/dbraw/zinc/86/17/23/950861723.db2.gz OBEZKLXPCRMYHV-UHFFFAOYSA-N -1 1 398.431 0.697 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(N3CCOCC3)n2)n1 ZINC001573888024 950861743 /nfs/dbraw/zinc/86/17/43/950861743.db2.gz OBEZKLXPCRMYHV-UHFFFAOYSA-N -1 1 398.431 0.697 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575934816 950865210 /nfs/dbraw/zinc/86/52/10/950865210.db2.gz UAGLBBNKFSJGKF-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575934816 950865225 /nfs/dbraw/zinc/86/52/25/950865225.db2.gz UAGLBBNKFSJGKF-WCQYABFASA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575934752 950865883 /nfs/dbraw/zinc/86/58/83/950865883.db2.gz TVIRKMZQNGLVHR-PWSUYJOCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575934752 950865901 /nfs/dbraw/zinc/86/59/01/950865901.db2.gz TVIRKMZQNGLVHR-PWSUYJOCSA-N -1 1 380.416 0.515 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639555 950867659 /nfs/dbraw/zinc/86/76/59/950867659.db2.gz BYZWTDWWHUQKLV-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639555 950867674 /nfs/dbraw/zinc/86/76/74/950867674.db2.gz BYZWTDWWHUQKLV-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575934818 950868693 /nfs/dbraw/zinc/86/86/93/950868693.db2.gz UAGLBBNKFSJGKF-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575934818 950868709 /nfs/dbraw/zinc/86/87/09/950868709.db2.gz UAGLBBNKFSJGKF-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001576222414 950871534 /nfs/dbraw/zinc/87/15/34/950871534.db2.gz YXFQKZARAZBWGU-BQBZGAKWSA-N -1 1 384.853 0.358 20 0 GCADMM C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576222414 950871555 /nfs/dbraw/zinc/87/15/55/950871555.db2.gz YXFQKZARAZBWGU-BQBZGAKWSA-N -1 1 384.853 0.358 20 0 GCADMM C[C@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768027 950879106 /nfs/dbraw/zinc/87/91/06/950879106.db2.gz WVJCOHSZPIPTSG-SNVBAGLBSA-N -1 1 383.416 0.907 20 0 GCADMM CCOC(=O)C1CCN(C(=O)CN(C)CC2(O)CCC(C(=O)[O-])CC2)CC1 ZINC001590207659 950880089 /nfs/dbraw/zinc/88/00/89/950880089.db2.gz AZBMQHVONKYQDS-UHFFFAOYSA-N -1 1 384.473 0.726 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1ccnc1 ZINC001575935675 950887879 /nfs/dbraw/zinc/88/78/79/950887879.db2.gz AAXGHJMCLMSYFI-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1ccnc1 ZINC001575935675 950887890 /nfs/dbraw/zinc/88/78/90/950887890.db2.gz AAXGHJMCLMSYFI-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768564 950891925 /nfs/dbraw/zinc/89/19/25/950891925.db2.gz ZGKGFEMLTSJJKR-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768564 950891931 /nfs/dbraw/zinc/89/19/31/950891931.db2.gz ZGKGFEMLTSJJKR-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573893595 950893699 /nfs/dbraw/zinc/89/36/99/950893699.db2.gz MPAKTNNAIZMUIC-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573893595 950893706 /nfs/dbraw/zinc/89/37/06/950893706.db2.gz MPAKTNNAIZMUIC-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cn[nH]c2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640750 950901398 /nfs/dbraw/zinc/90/13/98/950901398.db2.gz KIEQTWORONLUNH-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cn[nH]c2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640750 950901415 /nfs/dbraw/zinc/90/14/15/950901415.db2.gz KIEQTWORONLUNH-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576227460 950908880 /nfs/dbraw/zinc/90/88/80/950908880.db2.gz CTRDXQCMLDDWHA-NWDGAFQWSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576227460 950908897 /nfs/dbraw/zinc/90/88/97/950908897.db2.gz CTRDXQCMLDDWHA-NWDGAFQWSA-N -1 1 390.423 0.682 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001575641183 950912717 /nfs/dbraw/zinc/91/27/17/950912717.db2.gz AXYJQQSCQHHCPF-QWHCGFSZSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001575641183 950912729 /nfs/dbraw/zinc/91/27/29/950912729.db2.gz AXYJQQSCQHHCPF-QWHCGFSZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575936235 950913072 /nfs/dbraw/zinc/91/30/72/950913072.db2.gz DGAGUXYRAAQZSL-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575936235 950913100 /nfs/dbraw/zinc/91/31/00/950913100.db2.gz DGAGUXYRAAQZSL-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574527931 950914987 /nfs/dbraw/zinc/91/49/87/950914987.db2.gz IQAFLSBJGWCDJC-ZJUUUORDSA-N -1 1 384.400 0.622 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@]23C[C@H]2COC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575641347 950915102 /nfs/dbraw/zinc/91/51/02/950915102.db2.gz OFHVDYOOEWKDES-QUJCMNEKSA-N -1 1 398.471 0.804 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227547 950916741 /nfs/dbraw/zinc/91/67/41/950916741.db2.gz DSVSEJHXZOLCFK-NWDGAFQWSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227547 950916749 /nfs/dbraw/zinc/91/67/49/950916749.db2.gz DSVSEJHXZOLCFK-NWDGAFQWSA-N -1 1 390.423 0.682 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001573894052 950920074 /nfs/dbraw/zinc/92/00/74/950920074.db2.gz KHRRMTRKZLHRRF-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001573894052 950920089 /nfs/dbraw/zinc/92/00/89/950920089.db2.gz KHRRMTRKZLHRRF-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccnn1C ZINC001575936693 950920289 /nfs/dbraw/zinc/92/02/89/950920289.db2.gz HRIGFHJRDVPQHP-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccnn1C ZINC001575936693 950920307 /nfs/dbraw/zinc/92/03/07/950920307.db2.gz HRIGFHJRDVPQHP-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575936663 950922360 /nfs/dbraw/zinc/92/23/60/950922360.db2.gz HKAUOKWLAYKZKI-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575936663 950922379 /nfs/dbraw/zinc/92/23/79/950922379.db2.gz HKAUOKWLAYKZKI-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001573894442 950929412 /nfs/dbraw/zinc/92/94/12/950929412.db2.gz RSGGABMZTGSJIL-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001573894442 950929421 /nfs/dbraw/zinc/92/94/21/950929421.db2.gz RSGGABMZTGSJIL-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573894673 950931625 /nfs/dbraw/zinc/93/16/25/950931625.db2.gz XEZDMFCPUYNZJQ-XYPYZODXSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573894673 950931651 /nfs/dbraw/zinc/93/16/51/950931651.db2.gz XEZDMFCPUYNZJQ-XYPYZODXSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228139 950936732 /nfs/dbraw/zinc/93/67/32/950936732.db2.gz JFZFVGHBLYIQCE-LRDDRELGSA-N -1 1 390.451 0.752 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C1CC1 ZINC001573895917 950942313 /nfs/dbraw/zinc/94/23/13/950942313.db2.gz FMMBOEDKYDQOQQ-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C1CC1 ZINC001573895917 950942332 /nfs/dbraw/zinc/94/23/32/950942332.db2.gz FMMBOEDKYDQOQQ-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575937674 950954718 /nfs/dbraw/zinc/95/47/18/950954718.db2.gz LEOSDGVBBWGNHH-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575937674 950954730 /nfs/dbraw/zinc/95/47/30/950954730.db2.gz LEOSDGVBBWGNHH-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575937672 950956603 /nfs/dbraw/zinc/95/66/03/950956603.db2.gz LEOSDGVBBWGNHH-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575937672 950956617 /nfs/dbraw/zinc/95/66/17/950956617.db2.gz LEOSDGVBBWGNHH-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2ccn[nH]2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643115 950959966 /nfs/dbraw/zinc/95/99/66/950959966.db2.gz YBJFTFPUBPYLHZ-NSHDSACASA-N -1 1 382.432 0.805 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001575938013 950964598 /nfs/dbraw/zinc/96/45/98/950964598.db2.gz IIFDIMCPVYMSKI-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1nc[nH]n1 ZINC001575937994 950967868 /nfs/dbraw/zinc/96/78/68/950967868.db2.gz IEPHXYYYBANKNC-PHDIDXHHSA-N -1 1 380.825 0.810 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C1CC1 ZINC001573898337 950974183 /nfs/dbraw/zinc/97/41/83/950974183.db2.gz ZNUCPKORUMHALT-STQMWFEESA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C1CC1 ZINC001573898337 950974205 /nfs/dbraw/zinc/97/42/05/950974205.db2.gz ZNUCPKORUMHALT-STQMWFEESA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C1CC1 ZINC001573898335 950976267 /nfs/dbraw/zinc/97/62/67/950976267.db2.gz ZNUCPKORUMHALT-OLZOCXBDSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C1CC1 ZINC001573898335 950976280 /nfs/dbraw/zinc/97/62/80/950976280.db2.gz ZNUCPKORUMHALT-OLZOCXBDSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576230014 950983169 /nfs/dbraw/zinc/98/31/69/950983169.db2.gz KYKUYOOPZKDHCH-JQWIXIFHSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576230014 950983186 /nfs/dbraw/zinc/98/31/86/950983186.db2.gz KYKUYOOPZKDHCH-JQWIXIFHSA-N -1 1 376.396 0.434 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573899769 950989504 /nfs/dbraw/zinc/98/95/04/950989504.db2.gz JLTPTDBJVMLEER-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573899769 950989525 /nfs/dbraw/zinc/98/95/25/950989525.db2.gz JLTPTDBJVMLEER-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575017470 950996085 /nfs/dbraw/zinc/99/60/85/950996085.db2.gz GRMPSJFUTQLNPD-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575021028 951058471 /nfs/dbraw/zinc/05/84/71/951058471.db2.gz AKHUFWRFTYUOEM-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575021028 951058484 /nfs/dbraw/zinc/05/84/84/951058484.db2.gz AKHUFWRFTYUOEM-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575023280 951076313 /nfs/dbraw/zinc/07/63/13/951076313.db2.gz MBNUEVBXCCESBG-LLVKDONJSA-N -1 1 379.428 0.829 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024293 951097784 /nfs/dbraw/zinc/09/77/84/951097784.db2.gz AAOOUGOCBAMQRD-SECBINFHSA-N -1 1 383.372 0.053 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024293 951097799 /nfs/dbraw/zinc/09/77/99/951097799.db2.gz AAOOUGOCBAMQRD-SECBINFHSA-N -1 1 383.372 0.053 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024411 951102305 /nfs/dbraw/zinc/10/23/05/951102305.db2.gz DDLBELCQRWJTKI-LLVKDONJSA-N -1 1 379.428 0.879 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024411 951102320 /nfs/dbraw/zinc/10/23/20/951102320.db2.gz DDLBELCQRWJTKI-LLVKDONJSA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1nccnc1-c1nnn[n-]1 ZINC001575024481 951104402 /nfs/dbraw/zinc/10/44/02/951104402.db2.gz FNNRNTCMGQDAJY-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1nccnc1-c1nn[n-]n1 ZINC001575024481 951104403 /nfs/dbraw/zinc/10/44/03/951104403.db2.gz FNNRNTCMGQDAJY-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024583 951109193 /nfs/dbraw/zinc/10/91/93/951109193.db2.gz IEMQURDPPNSLBJ-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024583 951109199 /nfs/dbraw/zinc/10/91/99/951109199.db2.gz IEMQURDPPNSLBJ-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024714 951112227 /nfs/dbraw/zinc/11/22/27/951112227.db2.gz LCKHECUDPWNFOJ-NSHDSACASA-N -1 1 380.412 0.587 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024975 951120103 /nfs/dbraw/zinc/12/01/03/951120103.db2.gz QXBUAOVUBOXLDI-JTQLQIEISA-N -1 1 385.407 0.514 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025363 951130416 /nfs/dbraw/zinc/13/04/16/951130416.db2.gz YJBABZWDGCRRRC-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025363 951130421 /nfs/dbraw/zinc/13/04/21/951130421.db2.gz YJBABZWDGCRRRC-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025326 951131554 /nfs/dbraw/zinc/13/15/54/951131554.db2.gz YAPSWZPMRMSZBL-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025326 951131559 /nfs/dbraw/zinc/13/15/59/951131559.db2.gz YAPSWZPMRMSZBL-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575026960 951150692 /nfs/dbraw/zinc/15/06/92/951150692.db2.gz BKVYPXRPSIPXRM-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575027663 951162227 /nfs/dbraw/zinc/16/22/27/951162227.db2.gz HUBNQXMFBABZET-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575027663 951162235 /nfs/dbraw/zinc/16/22/35/951162235.db2.gz HUBNQXMFBABZET-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027974 951164773 /nfs/dbraw/zinc/16/47/73/951164773.db2.gz KELAPOHDYWRCRP-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027974 951164782 /nfs/dbraw/zinc/16/47/82/951164782.db2.gz KELAPOHDYWRCRP-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575028484 951174119 /nfs/dbraw/zinc/17/41/19/951174119.db2.gz XNPIXIUEMVJYRC-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575028484 951174127 /nfs/dbraw/zinc/17/41/27/951174127.db2.gz XNPIXIUEMVJYRC-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575028429 951175596 /nfs/dbraw/zinc/17/55/96/951175596.db2.gz XDUYSWCYTZEVIF-JTQLQIEISA-N -1 1 391.399 0.672 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575028429 951175600 /nfs/dbraw/zinc/17/56/00/951175600.db2.gz XDUYSWCYTZEVIF-JTQLQIEISA-N -1 1 391.399 0.672 20 0 GCADMM C[C@@H](CNC(=O)c1ccccc1-n1ccnn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029286 951185560 /nfs/dbraw/zinc/18/55/60/951185560.db2.gz SCHFPBCQQCNTMG-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1ccccc1-n1ccnn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029286 951185569 /nfs/dbraw/zinc/18/55/69/951185569.db2.gz SCHFPBCQQCNTMG-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029619 951187065 /nfs/dbraw/zinc/18/70/65/951187065.db2.gz WCHVQZLXNUEHTP-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029619 951187072 /nfs/dbraw/zinc/18/70/72/951187072.db2.gz WCHVQZLXNUEHTP-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575029403 951187216 /nfs/dbraw/zinc/18/72/16/951187216.db2.gz USRKJCTYEJEOGL-LLVKDONJSA-N -1 1 380.412 0.492 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575030024 951190906 /nfs/dbraw/zinc/19/09/06/951190906.db2.gz ZFKIPKLKCVPWDC-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575030024 951190910 /nfs/dbraw/zinc/19/09/10/951190910.db2.gz ZFKIPKLKCVPWDC-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCCO2)Nc1nccnc1-c1nnn[n-]1 ZINC001575030151 951194690 /nfs/dbraw/zinc/19/46/90/951194690.db2.gz ZXAUQWZAFVZQCJ-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCCO2)Nc1nccnc1-c1nn[n-]n1 ZINC001575030151 951194697 /nfs/dbraw/zinc/19/46/97/951194697.db2.gz ZXAUQWZAFVZQCJ-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@H](CNC(=O)c1cccn2ccnc12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575031594 951199037 /nfs/dbraw/zinc/19/90/37/951199037.db2.gz FAYFHHHOIQIMLF-LLVKDONJSA-N -1 1 378.400 0.559 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575031953 951210247 /nfs/dbraw/zinc/21/02/47/951210247.db2.gz MVRRGFUIWLIILS-LLVKDONJSA-N -1 1 382.432 0.018 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575032194 951218514 /nfs/dbraw/zinc/21/85/14/951218514.db2.gz SZDZQVTXIRRDKU-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575032194 951218519 /nfs/dbraw/zinc/21/85/19/951218519.db2.gz SZDZQVTXIRRDKU-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575032292 951221184 /nfs/dbraw/zinc/22/11/84/951221184.db2.gz WKXOQHAVAABEFN-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575032292 951221192 /nfs/dbraw/zinc/22/11/92/951221192.db2.gz WKXOQHAVAABEFN-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575033942 951236070 /nfs/dbraw/zinc/23/60/70/951236070.db2.gz FFAREHUKBDRSMM-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575033942 951236081 /nfs/dbraw/zinc/23/60/81/951236081.db2.gz FFAREHUKBDRSMM-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575034243 951240196 /nfs/dbraw/zinc/24/01/96/951240196.db2.gz KGXYWQWZTCBFTR-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575034243 951240207 /nfs/dbraw/zinc/24/02/07/951240207.db2.gz KGXYWQWZTCBFTR-VIFPVBQESA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034425 951246509 /nfs/dbraw/zinc/24/65/09/951246509.db2.gz BIVAIGWGKLYDLF-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034425 951246522 /nfs/dbraw/zinc/24/65/22/951246522.db2.gz BIVAIGWGKLYDLF-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575034438 951247476 /nfs/dbraw/zinc/24/74/76/951247476.db2.gz NCTWJFYFGXUPRW-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575035103 951267735 /nfs/dbraw/zinc/26/77/35/951267735.db2.gz GGNQJVKBFKDKLR-LLVKDONJSA-N -1 1 379.428 0.829 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575035531 951276263 /nfs/dbraw/zinc/27/62/63/951276263.db2.gz KALUQBIYIYDAED-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575035531 951276272 /nfs/dbraw/zinc/27/62/72/951276272.db2.gz KALUQBIYIYDAED-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575035563 951280122 /nfs/dbraw/zinc/28/01/22/951280122.db2.gz XPWAOTJXCFHERX-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575035563 951280131 /nfs/dbraw/zinc/28/01/31/951280131.db2.gz XPWAOTJXCFHERX-NSHDSACASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575035993 951285433 /nfs/dbraw/zinc/28/54/33/951285433.db2.gz OGAITQUKRLYFNA-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575035993 951285444 /nfs/dbraw/zinc/28/54/44/951285444.db2.gz OGAITQUKRLYFNA-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575036009 951288779 /nfs/dbraw/zinc/28/87/79/951288779.db2.gz OMZRZXVKTMPPON-NSHDSACASA-N -1 1 384.448 0.508 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575036342 951292037 /nfs/dbraw/zinc/29/20/37/951292037.db2.gz RMQMTMSJIHRIRQ-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575036342 951292053 /nfs/dbraw/zinc/29/20/53/951292053.db2.gz RMQMTMSJIHRIRQ-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C)n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575036639 951296895 /nfs/dbraw/zinc/29/68/95/951296895.db2.gz UTAIQNVMMMDRBD-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575036666 951297209 /nfs/dbraw/zinc/29/72/09/951297209.db2.gz VMBNBOCFSIAECQ-LLVKDONJSA-N -1 1 382.432 0.018 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575036932 951303232 /nfs/dbraw/zinc/30/32/32/951303232.db2.gz YYSVYRHZYHNIGL-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575036932 951303242 /nfs/dbraw/zinc/30/32/42/951303242.db2.gz YYSVYRHZYHNIGL-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575042296 951358974 /nfs/dbraw/zinc/35/89/74/951358974.db2.gz IARISHGSQWIFGX-SNVBAGLBSA-N -1 1 383.420 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575042296 951358997 /nfs/dbraw/zinc/35/89/97/951358997.db2.gz IARISHGSQWIFGX-SNVBAGLBSA-N -1 1 383.420 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575042702 951368373 /nfs/dbraw/zinc/36/83/73/951368373.db2.gz MKIXFXXBQIUEDP-JTQLQIEISA-N -1 1 383.420 0.451 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575042702 951368385 /nfs/dbraw/zinc/36/83/85/951368385.db2.gz MKIXFXXBQIUEDP-JTQLQIEISA-N -1 1 383.420 0.451 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575042879 951372689 /nfs/dbraw/zinc/37/26/89/951372689.db2.gz MXNWTRKGURIDJB-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575042879 951372701 /nfs/dbraw/zinc/37/27/01/951372701.db2.gz MXNWTRKGURIDJB-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575042989 951376472 /nfs/dbraw/zinc/37/64/72/951376472.db2.gz FDTUMARFLBSCBG-VIFPVBQESA-N -1 1 385.457 0.891 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043327 951386238 /nfs/dbraw/zinc/38/62/38/951386238.db2.gz QCRACEJJBOUQDB-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043410 951391278 /nfs/dbraw/zinc/39/12/78/951391278.db2.gz INMSBCGSLHAISI-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043729 951403062 /nfs/dbraw/zinc/40/30/62/951403062.db2.gz MNRLQVSDJDPDQT-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575044366 951413240 /nfs/dbraw/zinc/41/32/40/951413240.db2.gz ZGHVTAGRGVNQRB-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575044366 951413249 /nfs/dbraw/zinc/41/32/49/951413249.db2.gz ZGHVTAGRGVNQRB-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1nccnc1-c1nnn[n-]1 ZINC001575044847 951419829 /nfs/dbraw/zinc/41/98/29/951419829.db2.gz VXVMUSKXEVZAFB-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1nccnc1-c1nn[n-]n1 ZINC001575044847 951419842 /nfs/dbraw/zinc/41/98/42/951419842.db2.gz VXVMUSKXEVZAFB-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1nccnc1-c1nnn[n-]1 ZINC001575044845 951420353 /nfs/dbraw/zinc/42/03/53/951420353.db2.gz VXVMUSKXEVZAFB-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1nccnc1-c1nn[n-]n1 ZINC001575044845 951420358 /nfs/dbraw/zinc/42/03/58/951420358.db2.gz VXVMUSKXEVZAFB-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1-c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575045052 951423852 /nfs/dbraw/zinc/42/38/52/951423852.db2.gz ZJPILTMCKAFSCY-VIFPVBQESA-N -1 1 380.372 0.292 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2nccnc2c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575045403 951428323 /nfs/dbraw/zinc/42/83/23/951428323.db2.gz BSDVZVCNFLUWNF-SNVBAGLBSA-N -1 1 391.399 0.473 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2nccnc2c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575045403 951428326 /nfs/dbraw/zinc/42/83/26/951428326.db2.gz BSDVZVCNFLUWNF-SNVBAGLBSA-N -1 1 391.399 0.473 20 0 GCADMM CC(C)Oc1cncc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001575045780 951432793 /nfs/dbraw/zinc/43/27/93/951432793.db2.gz HPNONVAPDQTZOC-NSHDSACASA-N -1 1 383.416 0.491 20 0 GCADMM O=C([O-])CCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001595048457 951456279 /nfs/dbraw/zinc/45/62/79/951456279.db2.gz VFHWZZDXUGNNHX-UHFFFAOYSA-N -1 1 398.485 0.089 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1N)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575051952 951456943 /nfs/dbraw/zinc/45/69/43/951456943.db2.gz BSZKTXVXQVZPLT-RXMQYKEDSA-N -1 1 382.841 0.523 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1N)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575051952 951456950 /nfs/dbraw/zinc/45/69/50/951456950.db2.gz BSZKTXVXQVZPLT-RXMQYKEDSA-N -1 1 382.841 0.523 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575052139 951459527 /nfs/dbraw/zinc/45/95/27/951459527.db2.gz DRYAAOXDZBIUIH-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575052139 951459531 /nfs/dbraw/zinc/45/95/31/951459531.db2.gz DRYAAOXDZBIUIH-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575052525 951467064 /nfs/dbraw/zinc/46/70/64/951467064.db2.gz LABNENBIHVICJS-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575052525 951467071 /nfs/dbraw/zinc/46/70/71/951467071.db2.gz LABNENBIHVICJS-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575052588 951469335 /nfs/dbraw/zinc/46/93/35/951469335.db2.gz MNVYGBZNKOQRKH-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575052588 951469343 /nfs/dbraw/zinc/46/93/43/951469343.db2.gz MNVYGBZNKOQRKH-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575053213 951476565 /nfs/dbraw/zinc/47/65/65/951476565.db2.gz RLXFFVOZECEAQG-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575053213 951476573 /nfs/dbraw/zinc/47/65/73/951476573.db2.gz RLXFFVOZECEAQG-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575054997 951498307 /nfs/dbraw/zinc/49/83/07/951498307.db2.gz LFIHHQGAOINGEE-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575054997 951498313 /nfs/dbraw/zinc/49/83/13/951498313.db2.gz LFIHHQGAOINGEE-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575055357 951503012 /nfs/dbraw/zinc/50/30/12/951503012.db2.gz RLJJWWFXPMPINP-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575055357 951503020 /nfs/dbraw/zinc/50/30/20/951503020.db2.gz RLJJWWFXPMPINP-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575055368 951504257 /nfs/dbraw/zinc/50/42/57/951504257.db2.gz RTCGYHFBSPCFHW-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575055368 951504263 /nfs/dbraw/zinc/50/42/63/951504263.db2.gz RTCGYHFBSPCFHW-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575055641 951512484 /nfs/dbraw/zinc/51/24/84/951512484.db2.gz YRWHTFMWECFQGW-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575055641 951512488 /nfs/dbraw/zinc/51/24/88/951512488.db2.gz YRWHTFMWECFQGW-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1conc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575055887 951514514 /nfs/dbraw/zinc/51/45/14/951514514.db2.gz BGIDKJUDWAYZRT-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1conc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575055887 951514524 /nfs/dbraw/zinc/51/45/24/951514524.db2.gz BGIDKJUDWAYZRT-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1conc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575055889 951515057 /nfs/dbraw/zinc/51/50/57/951515057.db2.gz BGIDKJUDWAYZRT-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1conc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575055889 951515065 /nfs/dbraw/zinc/51/50/65/951515065.db2.gz BGIDKJUDWAYZRT-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1conc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575057402 951526824 /nfs/dbraw/zinc/52/68/24/951526824.db2.gz OYNAXQLFMWSXKU-ZCFIWIBFSA-N -1 1 383.294 0.316 20 0 GCADMM C[C@@H](CNC(=O)c1csc(Cl)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575058073 951534745 /nfs/dbraw/zinc/53/47/45/951534745.db2.gz ULVSJQIFKHRQMU-SSDOTTSWSA-N -1 1 379.837 0.667 20 0 GCADMM C[C@@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575059301 951540012 /nfs/dbraw/zinc/54/00/12/951540012.db2.gz YZAINVXEWZOKSQ-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575059301 951540022 /nfs/dbraw/zinc/54/00/22/951540022.db2.gz YZAINVXEWZOKSQ-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575060640 951543742 /nfs/dbraw/zinc/54/37/42/951543742.db2.gz BQLRUBJXIGJVCI-JTQLQIEISA-N -1 1 382.432 0.737 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575061927 951564129 /nfs/dbraw/zinc/56/41/29/951564129.db2.gz RFUCVNOTMJVJOO-JTQLQIEISA-N -1 1 382.432 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575061927 951564137 /nfs/dbraw/zinc/56/41/37/951564137.db2.gz RFUCVNOTMJVJOO-JTQLQIEISA-N -1 1 382.432 0.879 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575064637 951576857 /nfs/dbraw/zinc/57/68/57/951576857.db2.gz BQJUJWKHBZPNPH-SNVBAGLBSA-N -1 1 384.400 0.577 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575064767 951578586 /nfs/dbraw/zinc/57/85/86/951578586.db2.gz DBRSYERLIZSRQU-ZETCQYMHSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575064767 951578595 /nfs/dbraw/zinc/57/85/95/951578595.db2.gz DBRSYERLIZSRQU-ZETCQYMHSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575066117 951591575 /nfs/dbraw/zinc/59/15/75/951591575.db2.gz FREQFVUSPCADAB-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575066117 951591585 /nfs/dbraw/zinc/59/15/85/951591585.db2.gz FREQFVUSPCADAB-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575066001 951591926 /nfs/dbraw/zinc/59/19/26/951591926.db2.gz JNAVLELSHVHTOT-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575066001 951591932 /nfs/dbraw/zinc/59/19/32/951591932.db2.gz JNAVLELSHVHTOT-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1nccn2ccnc12)CNc1nccnc1-c1nnn[n-]1 ZINC001575066123 951594871 /nfs/dbraw/zinc/59/48/71/951594871.db2.gz FXCQRTIZRSHJKD-JTQLQIEISA-N -1 1 379.388 0.177 20 0 GCADMM C[C@H](CNC(=O)c1nccn2ccnc12)CNc1nccnc1-c1nn[n-]n1 ZINC001575066123 951594876 /nfs/dbraw/zinc/59/48/76/951594876.db2.gz FXCQRTIZRSHJKD-JTQLQIEISA-N -1 1 379.388 0.177 20 0 GCADMM C[C@@H](CNC(=O)c1nncc2ccccc21)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067742 951621694 /nfs/dbraw/zinc/62/16/94/951621694.db2.gz XNBNBURGFMIZRC-LLVKDONJSA-N -1 1 390.411 0.500 20 0 GCADMM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CCC(CN3CCOCC3)CC2)C1=O ZINC001595091230 951775606 /nfs/dbraw/zinc/77/56/06/951775606.db2.gz XPTMRBVEJMWQQG-MRXNPFEDSA-N -1 1 396.488 0.206 20 0 GCADMM C[C@H]1[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000382027361 971796366 /nfs/dbraw/zinc/79/63/66/971796366.db2.gz QVDPONSHNXNHRW-XJKSGUPXSA-N -1 1 378.454 0.909 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575129022 952074786 /nfs/dbraw/zinc/07/47/86/952074786.db2.gz OWFARGBCBCHYLW-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575129022 952074794 /nfs/dbraw/zinc/07/47/94/952074794.db2.gz OWFARGBCBCHYLW-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575131776 952088751 /nfs/dbraw/zinc/08/87/51/952088751.db2.gz BJKHCMLJFIXRLL-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575131776 952088759 /nfs/dbraw/zinc/08/87/59/952088759.db2.gz BJKHCMLJFIXRLL-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CCN(CC3CC3)CC2)C1 ZINC001602891773 971801570 /nfs/dbraw/zinc/80/15/70/971801570.db2.gz BWSAJENIMCYARE-IBGZPJMESA-N -1 1 397.472 0.631 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575132908 952100765 /nfs/dbraw/zinc/10/07/65/952100765.db2.gz IHMAZXGESOGNJG-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575132908 952100770 /nfs/dbraw/zinc/10/07/70/952100770.db2.gz IHMAZXGESOGNJG-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575133290 952101824 /nfs/dbraw/zinc/10/18/24/952101824.db2.gz DIPCORZVTULUEG-SCLBCKFNSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575134643 952113050 /nfs/dbraw/zinc/11/30/50/952113050.db2.gz NRZHKJVEDSZWOX-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575134643 952113051 /nfs/dbraw/zinc/11/30/51/952113051.db2.gz NRZHKJVEDSZWOX-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575135767 952121331 /nfs/dbraw/zinc/12/13/31/952121331.db2.gz NNSNONOAZLDCAC-OAHLLOKOSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575135898 952122349 /nfs/dbraw/zinc/12/23/49/952122349.db2.gz SXXHYNFLXRCMQS-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575135898 952122355 /nfs/dbraw/zinc/12/23/55/952122355.db2.gz SXXHYNFLXRCMQS-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575136238 952123057 /nfs/dbraw/zinc/12/30/57/952123057.db2.gz NXYYITWXEWRXRO-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575136238 952123061 /nfs/dbraw/zinc/12/30/61/952123061.db2.gz NXYYITWXEWRXRO-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575136769 952126966 /nfs/dbraw/zinc/12/69/66/952126966.db2.gz WONDHWDIZSHGLP-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575136769 952126971 /nfs/dbraw/zinc/12/69/71/952126971.db2.gz WONDHWDIZSHGLP-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575136811 952128199 /nfs/dbraw/zinc/12/81/99/952128199.db2.gz XFXGUSKUCCHIJY-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575136811 952128205 /nfs/dbraw/zinc/12/82/05/952128205.db2.gz XFXGUSKUCCHIJY-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575136822 952129781 /nfs/dbraw/zinc/12/97/81/952129781.db2.gz XISKUNIUZGUAIC-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575136822 952129789 /nfs/dbraw/zinc/12/97/89/952129789.db2.gz XISKUNIUZGUAIC-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575136852 952129819 /nfs/dbraw/zinc/12/98/19/952129819.db2.gz XUEPDZZZIFPQER-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575136852 952129826 /nfs/dbraw/zinc/12/98/26/952129826.db2.gz XUEPDZZZIFPQER-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM O=C([O-])Cn1cc(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)cn1 ZINC001595148805 952131398 /nfs/dbraw/zinc/13/13/98/952131398.db2.gz WCLGMHTUQOLQCN-HNNXBMFYSA-N -1 1 388.428 0.937 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575137061 952134802 /nfs/dbraw/zinc/13/48/02/952134802.db2.gz SQVWATCNPGDRLX-GOSISDBHSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575139780 952140719 /nfs/dbraw/zinc/14/07/19/952140719.db2.gz CAZGCPBCHMPVLB-CHWSQXEVSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575140733 952143711 /nfs/dbraw/zinc/14/37/11/952143711.db2.gz FULBYHCEVRDNHY-GFCCVEGCSA-N -1 1 379.428 0.464 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575141319 952143886 /nfs/dbraw/zinc/14/38/86/952143886.db2.gz GIWZZVRUTZJLNF-RISCZKNCSA-N -1 1 380.412 0.341 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575141326 952144090 /nfs/dbraw/zinc/14/40/90/952144090.db2.gz GOLJDCGBNITTRA-SNVBAGLBSA-N -1 1 390.839 0.278 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575142147 952146421 /nfs/dbraw/zinc/14/64/21/952146421.db2.gz JFYLENUVVJQEDF-GFCCVEGCSA-N -1 1 381.444 0.710 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccccn1 ZINC001575142804 952149175 /nfs/dbraw/zinc/14/91/75/952149175.db2.gz MAXVKMPSOBZRKO-ZDUSSCGKSA-N -1 1 381.444 0.755 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575142823 952149414 /nfs/dbraw/zinc/14/94/14/952149414.db2.gz MIBZCSRNVMVXKG-PUTJDCORSA-N -1 1 378.387 0.677 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575142807 952150127 /nfs/dbraw/zinc/15/01/27/952150127.db2.gz MCKJLRNVYFMWEN-AAEUAGOBSA-N -1 1 379.428 0.147 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575142824 952150327 /nfs/dbraw/zinc/15/03/27/952150327.db2.gz MIBZCSRNVMVXKG-XQJJYNOISA-N -1 1 378.387 0.677 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575143695 952155607 /nfs/dbraw/zinc/15/56/07/952155607.db2.gz CCBRQGAGVANRRV-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@@H](N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001602893226 971808134 /nfs/dbraw/zinc/80/81/34/971808134.db2.gz PMGHYCYENLXPEL-UONOGXRCSA-N -1 1 385.461 0.678 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@H](N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001602893227 971808264 /nfs/dbraw/zinc/80/82/64/971808264.db2.gz PMGHYCYENLXPEL-ZIAGYGMSSA-N -1 1 385.461 0.678 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575144757 952170255 /nfs/dbraw/zinc/17/02/55/952170255.db2.gz LCPHUWVJAPAFIK-NSHDSACASA-N -1 1 382.432 0.184 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575144870 952173834 /nfs/dbraw/zinc/17/38/34/952173834.db2.gz YSFCVICBBRIQRA-HNNXBMFYSA-N -1 1 382.375 0.057 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575144954 952175813 /nfs/dbraw/zinc/17/58/13/952175813.db2.gz ZOOBWPJMIUJFBD-YGRLFVJLSA-N -1 1 382.403 0.816 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575145083 952177055 /nfs/dbraw/zinc/17/70/55/952177055.db2.gz PILMDYNJLFREKM-LLVKDONJSA-N -1 1 379.428 0.924 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575145111 952178122 /nfs/dbraw/zinc/17/81/22/952178122.db2.gz QGWKGEXEYYTLCB-JTQLQIEISA-N -1 1 384.448 0.672 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575145169 952179040 /nfs/dbraw/zinc/17/90/40/952179040.db2.gz RPWIYSNVLZSATR-MRVPVSSYSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575145309 952181178 /nfs/dbraw/zinc/18/11/78/952181178.db2.gz VODVLYZVNOYVOF-JTQLQIEISA-N -1 1 383.416 0.518 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575145471 952184233 /nfs/dbraw/zinc/18/42/33/952184233.db2.gz YERGBGZBQFJZOG-MRVPVSSYSA-N -1 1 386.445 0.380 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575153104 952204635 /nfs/dbraw/zinc/20/46/35/952204635.db2.gz CPKJIHFRFIKHRM-SJKOYZFVSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575153104 952204639 /nfs/dbraw/zinc/20/46/39/952204639.db2.gz CPKJIHFRFIKHRM-SJKOYZFVSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575153061 952204924 /nfs/dbraw/zinc/20/49/24/952204924.db2.gz CPKJIHFRFIKHRM-SJCJKPOMSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575153061 952204929 /nfs/dbraw/zinc/20/49/29/952204929.db2.gz CPKJIHFRFIKHRM-SJCJKPOMSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCOCC(F)(F)F ZINC001575153309 952207790 /nfs/dbraw/zinc/20/77/90/952207790.db2.gz GHNBMVNGLFCFBI-SECBINFHSA-N -1 1 388.354 0.885 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCOCC(F)(F)F ZINC001575153309 952207794 /nfs/dbraw/zinc/20/77/94/952207794.db2.gz GHNBMVNGLFCFBI-SECBINFHSA-N -1 1 388.354 0.885 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575153544 952210046 /nfs/dbraw/zinc/21/00/46/952210046.db2.gz IELGOAQKMGNDDK-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575153969 952215180 /nfs/dbraw/zinc/21/51/80/952215180.db2.gz MXIQPKHIKGJOSI-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575153969 952215182 /nfs/dbraw/zinc/21/51/82/952215182.db2.gz MXIQPKHIKGJOSI-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575154722 952230024 /nfs/dbraw/zinc/23/00/24/952230024.db2.gz VFAVYJQZWYPLHY-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575155182 952236418 /nfs/dbraw/zinc/23/64/18/952236418.db2.gz XJDDQMVYCVDQIE-SFHVURJKSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575155182 952236424 /nfs/dbraw/zinc/23/64/24/952236424.db2.gz XJDDQMVYCVDQIE-SFHVURJKSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575155452 952241029 /nfs/dbraw/zinc/24/10/29/952241029.db2.gz YONWJUZPCNVRJA-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575155452 952241033 /nfs/dbraw/zinc/24/10/33/952241033.db2.gz YONWJUZPCNVRJA-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575156016 952247366 /nfs/dbraw/zinc/24/73/66/952247366.db2.gz BFCKCOWSFDGDDM-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575156016 952247373 /nfs/dbraw/zinc/24/73/73/952247373.db2.gz BFCKCOWSFDGDDM-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575156382 952251899 /nfs/dbraw/zinc/25/18/99/952251899.db2.gz FEWBOCCZAMNEFY-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575156382 952251903 /nfs/dbraw/zinc/25/19/03/952251903.db2.gz FEWBOCCZAMNEFY-ABAIWWIYSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575156419 952252372 /nfs/dbraw/zinc/25/23/72/952252372.db2.gz FMPGMQCGRHOYKV-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575156419 952252375 /nfs/dbraw/zinc/25/23/75/952252375.db2.gz FMPGMQCGRHOYKV-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575156605 952254730 /nfs/dbraw/zinc/25/47/30/952254730.db2.gz GNOIGPIADGEKDP-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575156605 952254736 /nfs/dbraw/zinc/25/47/36/952254736.db2.gz GNOIGPIADGEKDP-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575157226 952262114 /nfs/dbraw/zinc/26/21/14/952262114.db2.gz YGZABUOAZGLJRK-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575157226 952262121 /nfs/dbraw/zinc/26/21/21/952262121.db2.gz YGZABUOAZGLJRK-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575157279 952263084 /nfs/dbraw/zinc/26/30/84/952263084.db2.gz KUTQXZFSIYEISL-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575157279 952263089 /nfs/dbraw/zinc/26/30/89/952263089.db2.gz KUTQXZFSIYEISL-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575157849 952268379 /nfs/dbraw/zinc/26/83/79/952268379.db2.gz PUXSBELQGTUGEO-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575157849 952268388 /nfs/dbraw/zinc/26/83/88/952268388.db2.gz PUXSBELQGTUGEO-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575158271 952270421 /nfs/dbraw/zinc/27/04/21/952270421.db2.gz SHQGVWYDVPMLGF-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575158271 952270425 /nfs/dbraw/zinc/27/04/25/952270425.db2.gz SHQGVWYDVPMLGF-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575158399 952271681 /nfs/dbraw/zinc/27/16/81/952271681.db2.gz UREAISJAFTWHDC-QWRGUYRKSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575158399 952271689 /nfs/dbraw/zinc/27/16/89/952271689.db2.gz UREAISJAFTWHDC-QWRGUYRKSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575158429 952272064 /nfs/dbraw/zinc/27/20/64/952272064.db2.gz VFSWMTFOMJCXBO-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575158429 952272070 /nfs/dbraw/zinc/27/20/70/952272070.db2.gz VFSWMTFOMJCXBO-MRVPVSSYSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnnn1C ZINC001575164370 952292272 /nfs/dbraw/zinc/29/22/72/952292272.db2.gz DRBOAMSTLGEGIE-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575164833 952300777 /nfs/dbraw/zinc/30/07/77/952300777.db2.gz ICFIRMLJSCMAOK-XVMARJQXSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnn(C)n1 ZINC001575165653 952311464 /nfs/dbraw/zinc/31/14/64/952311464.db2.gz QISKPXYYZWKKJN-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1COCCO1 ZINC001575166264 952321740 /nfs/dbraw/zinc/32/17/40/952321740.db2.gz UGQJNNSLZZAECN-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM O=C([O-])c1c(NC(=O)C2CCC(N3CCOCC3)CC2)nc2n1CCOC2 ZINC001595206847 952333845 /nfs/dbraw/zinc/33/38/45/952333845.db2.gz OJKXTWTZLQUIRC-UHFFFAOYSA-N -1 1 378.429 0.941 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575173801 952358456 /nfs/dbraw/zinc/35/84/56/952358456.db2.gz AILVJCDNCXEZJV-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575173801 952358465 /nfs/dbraw/zinc/35/84/65/952358465.db2.gz AILVJCDNCXEZJV-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575174184 952366608 /nfs/dbraw/zinc/36/66/08/952366608.db2.gz IYGDSMGPVNQOTF-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575174184 952366616 /nfs/dbraw/zinc/36/66/16/952366616.db2.gz IYGDSMGPVNQOTF-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575174282 952369614 /nfs/dbraw/zinc/36/96/14/952369614.db2.gz LCSVUPRCEFVJEI-GHMZBOCLSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575174282 952369621 /nfs/dbraw/zinc/36/96/21/952369621.db2.gz LCSVUPRCEFVJEI-GHMZBOCLSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575174739 952378259 /nfs/dbraw/zinc/37/82/59/952378259.db2.gz RVAYHLHTTGJVOG-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575174739 952378263 /nfs/dbraw/zinc/37/82/63/952378263.db2.gz RVAYHLHTTGJVOG-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575174893 952379514 /nfs/dbraw/zinc/37/95/14/952379514.db2.gz TVIWIDDITORYCS-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575174893 952379520 /nfs/dbraw/zinc/37/95/20/952379520.db2.gz TVIWIDDITORYCS-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)n1 ZINC001575176630 952395161 /nfs/dbraw/zinc/39/51/61/952395161.db2.gz FDWOBPNHGHCVDU-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)n1 ZINC001575176630 952395167 /nfs/dbraw/zinc/39/51/67/952395167.db2.gz FDWOBPNHGHCVDU-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575177098 952396895 /nfs/dbraw/zinc/39/68/95/952396895.db2.gz GRUNZLUJWQLUCL-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575177098 952396901 /nfs/dbraw/zinc/39/69/01/952396901.db2.gz GRUNZLUJWQLUCL-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cn(C)nn1 ZINC001575177557 952401299 /nfs/dbraw/zinc/40/12/99/952401299.db2.gz IIOCRKYIXZHUDB-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cn(C)nn1 ZINC001575177557 952401303 /nfs/dbraw/zinc/40/13/03/952401303.db2.gz IIOCRKYIXZHUDB-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575177774 952403350 /nfs/dbraw/zinc/40/33/50/952403350.db2.gz JPBHPOPOMRIBIW-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575177774 952403355 /nfs/dbraw/zinc/40/33/55/952403355.db2.gz JPBHPOPOMRIBIW-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575178104 952404881 /nfs/dbraw/zinc/40/48/81/952404881.db2.gz KJXRXHZSTKOUHS-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575178104 952404884 /nfs/dbraw/zinc/40/48/84/952404884.db2.gz KJXRXHZSTKOUHS-KWCYVHTRSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575178150 952405457 /nfs/dbraw/zinc/40/54/57/952405457.db2.gz KXXQWXHISZTAOS-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575178150 952405462 /nfs/dbraw/zinc/40/54/62/952405462.db2.gz KXXQWXHISZTAOS-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575178862 952408489 /nfs/dbraw/zinc/40/84/89/952408489.db2.gz OIKRFBYFJYLCAP-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575178862 952408493 /nfs/dbraw/zinc/40/84/93/952408493.db2.gz OIKRFBYFJYLCAP-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575180511 952418045 /nfs/dbraw/zinc/41/80/45/952418045.db2.gz VBWRHGVXBXFDPP-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575180511 952418050 /nfs/dbraw/zinc/41/80/50/952418050.db2.gz VBWRHGVXBXFDPP-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575180933 952419254 /nfs/dbraw/zinc/41/92/54/952419254.db2.gz YAFHEXNFNZQVMZ-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575180933 952419261 /nfs/dbraw/zinc/41/92/61/952419261.db2.gz YAFHEXNFNZQVMZ-KGYLQXTDSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575180955 952421001 /nfs/dbraw/zinc/42/10/01/952421001.db2.gz YQAHWLVDINYGPG-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575180955 952421003 /nfs/dbraw/zinc/42/10/03/952421003.db2.gz YQAHWLVDINYGPG-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575185651 952434152 /nfs/dbraw/zinc/43/41/52/952434152.db2.gz TWSAIGMHHNXIHD-RXMQYKEDSA-N -1 1 379.855 0.873 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575187293 952440620 /nfs/dbraw/zinc/44/06/20/952440620.db2.gz BQPFOFXRSQQHIT-NWDGAFQWSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575187293 952440626 /nfs/dbraw/zinc/44/06/26/952440626.db2.gz BQPFOFXRSQQHIT-NWDGAFQWSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001575187911 952445030 /nfs/dbraw/zinc/44/50/30/952445030.db2.gz FIXJRXWFMWIKSV-GFCCVEGCSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001575187911 952445036 /nfs/dbraw/zinc/44/50/36/952445036.db2.gz FIXJRXWFMWIKSV-GFCCVEGCSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001575187914 952445468 /nfs/dbraw/zinc/44/54/68/952445468.db2.gz FIXJRXWFMWIKSV-LBPRGKRZSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001575187914 952445472 /nfs/dbraw/zinc/44/54/72/952445472.db2.gz FIXJRXWFMWIKSV-LBPRGKRZSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571114307 952451350 /nfs/dbraw/zinc/45/13/50/952451350.db2.gz GJFXONIBCIADNU-GZMMTYOYSA-N -1 1 375.364 0.729 20 0 GCADMM CCOc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1F ZINC001571114754 952459938 /nfs/dbraw/zinc/45/99/38/952459938.db2.gz NVGGJMTYXPMNDI-UHFFFAOYSA-N -1 1 375.320 0.306 20 0 GCADMM C[C@@H](Cc1ccccc1F)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575191818 952469973 /nfs/dbraw/zinc/46/99/73/952469973.db2.gz YTKUXQWRYJFZQK-JTQLQIEISA-N -1 1 387.375 0.406 20 0 GCADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)c1-c1nn[n-]n1 ZINC001571116909 952478288 /nfs/dbraw/zinc/47/82/88/952478288.db2.gz FRKKACABLXGAKO-GHMZBOCLSA-N -1 1 375.414 0.133 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575197386 952483159 /nfs/dbraw/zinc/48/31/59/952483159.db2.gz VHUCBFSMULSGGE-AVGNSLFASA-N -1 1 380.412 0.918 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575197386 952483169 /nfs/dbraw/zinc/48/31/69/952483169.db2.gz VHUCBFSMULSGGE-AVGNSLFASA-N -1 1 380.412 0.918 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CC[C@@H](CO)[C@H]3C)CC2)o1 ZINC001571118392 952488554 /nfs/dbraw/zinc/48/85/54/952488554.db2.gz WTSLBPUUVDCNIQ-MFKMUULPSA-N -1 1 375.433 0.609 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575199560 952489832 /nfs/dbraw/zinc/48/98/32/952489832.db2.gz DBXXHFGHZXVGLF-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575199560 952489836 /nfs/dbraw/zinc/48/98/36/952489836.db2.gz DBXXHFGHZXVGLF-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC001571119789 952493621 /nfs/dbraw/zinc/49/36/21/952493621.db2.gz FPQPBLJJHGXOLC-PWSUYJOCSA-N -1 1 376.421 0.747 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC001571119789 952493627 /nfs/dbraw/zinc/49/36/27/952493627.db2.gz FPQPBLJJHGXOLC-PWSUYJOCSA-N -1 1 376.421 0.747 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC2(F)F)n1 ZINC001571119778 952494666 /nfs/dbraw/zinc/49/46/66/952494666.db2.gz DPWGPLUJENTTFC-MIZYBKAJSA-N -1 1 376.371 0.561 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC2(F)F)n1 ZINC001571119778 952494672 /nfs/dbraw/zinc/49/46/72/952494672.db2.gz DPWGPLUJENTTFC-MIZYBKAJSA-N -1 1 376.371 0.561 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571119872 952495202 /nfs/dbraw/zinc/49/52/02/952495202.db2.gz GXXXRGPMNFWATQ-QMMMGPOBSA-N -1 1 376.402 0.955 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)C3(F)CCOCC3)C2)n1 ZINC001571119796 952495287 /nfs/dbraw/zinc/49/52/87/952495287.db2.gz FYXJTRJXQWGGNX-PHIMTYICSA-N -1 1 376.396 0.543 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)C3(F)CCOCC3)C2)n1 ZINC001571119796 952495292 /nfs/dbraw/zinc/49/52/92/952495292.db2.gz FYXJTRJXQWGGNX-PHIMTYICSA-N -1 1 376.396 0.543 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C(F)F)c1 ZINC001571120059 952498497 /nfs/dbraw/zinc/49/84/97/952498497.db2.gz HMYVKQNLTDGPCX-VIFPVBQESA-N -1 1 376.331 0.257 20 0 GCADMM O=C(N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C1(F)CCOCC1 ZINC001571120145 952500151 /nfs/dbraw/zinc/50/01/51/952500151.db2.gz JZSDONKWFBMWQW-LLVKDONJSA-N -1 1 376.396 0.578 20 0 GCADMM O=C(N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C1(F)CCOCC1 ZINC001571120145 952500155 /nfs/dbraw/zinc/50/01/55/952500155.db2.gz JZSDONKWFBMWQW-LLVKDONJSA-N -1 1 376.396 0.578 20 0 GCADMM O=C(N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571120440 952504091 /nfs/dbraw/zinc/50/40/91/952504091.db2.gz MSWRWKSUFSLURF-NSHDSACASA-N -1 1 376.396 0.578 20 0 GCADMM O=C(N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571120440 952504095 /nfs/dbraw/zinc/50/40/95/952504095.db2.gz MSWRWKSUFSLURF-NSHDSACASA-N -1 1 376.396 0.578 20 0 GCADMM O=C(N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571120438 952504213 /nfs/dbraw/zinc/50/42/13/952504213.db2.gz MSWRWKSUFSLURF-LLVKDONJSA-N -1 1 376.396 0.578 20 0 GCADMM O=C(N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571120438 952504221 /nfs/dbraw/zinc/50/42/21/952504221.db2.gz MSWRWKSUFSLURF-LLVKDONJSA-N -1 1 376.396 0.578 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)[C@]1(F)CCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571120690 952506662 /nfs/dbraw/zinc/50/66/62/952506662.db2.gz PQCSZVQXPBTGQB-ZBEGNZNMSA-N -1 1 376.396 0.213 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)[C@]1(F)CCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571120690 952506669 /nfs/dbraw/zinc/50/66/69/952506669.db2.gz PQCSZVQXPBTGQB-ZBEGNZNMSA-N -1 1 376.396 0.213 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575202762 952515771 /nfs/dbraw/zinc/51/57/71/952515771.db2.gz XUPMTSRJNXKYSB-LBPRGKRZSA-N -1 1 384.448 0.164 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575202762 952515777 /nfs/dbraw/zinc/51/57/77/952515777.db2.gz XUPMTSRJNXKYSB-LBPRGKRZSA-N -1 1 384.448 0.164 20 0 GCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cc2c(c(Br)c1)OCO2 ZINC001571121684 952520648 /nfs/dbraw/zinc/52/06/48/952520648.db2.gz BMUCLXMCVUYQCC-UHFFFAOYSA-N -1 1 377.158 0.963 20 0 GCADMM Cc1ccc(F)c(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1F ZINC001571122314 952524982 /nfs/dbraw/zinc/52/49/82/952524982.db2.gz IPYVFJGXISHKHG-UHFFFAOYSA-N -1 1 377.311 0.146 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575205679 952525765 /nfs/dbraw/zinc/52/57/65/952525765.db2.gz BWBHRVZMZIWITK-RYUDHWBXSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575205679 952525770 /nfs/dbraw/zinc/52/57/70/952525770.db2.gz BWBHRVZMZIWITK-RYUDHWBXSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575205951 952527277 /nfs/dbraw/zinc/52/72/77/952527277.db2.gz FZVWWVGKZMQAIS-DRZSPHRISA-N -1 1 382.432 0.328 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575205951 952527279 /nfs/dbraw/zinc/52/72/79/952527279.db2.gz FZVWWVGKZMQAIS-DRZSPHRISA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575206384 952529750 /nfs/dbraw/zinc/52/97/50/952529750.db2.gz JFFGGKMNCOJQLK-NEPJUHHUSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575206384 952529754 /nfs/dbraw/zinc/52/97/54/952529754.db2.gz JFFGGKMNCOJQLK-NEPJUHHUSA-N -1 1 384.448 0.576 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001571124182 952535210 /nfs/dbraw/zinc/53/52/10/952535210.db2.gz AIDORKFAHQLLNL-KYZUINATSA-N -1 1 377.409 0.777 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001571124182 952535215 /nfs/dbraw/zinc/53/52/15/952535215.db2.gz AIDORKFAHQLLNL-KYZUINATSA-N -1 1 377.409 0.777 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)co1 ZINC001571124645 952542859 /nfs/dbraw/zinc/54/28/59/952542859.db2.gz QCPFTQMCFPGVDF-UHFFFAOYSA-N -1 1 377.386 0.035 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)co1 ZINC001571124645 952542863 /nfs/dbraw/zinc/54/28/63/952542863.db2.gz QCPFTQMCFPGVDF-UHFFFAOYSA-N -1 1 377.386 0.035 20 0 GCADMM CN(Cc1c(F)cccc1Cl)C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001571127152 952551063 /nfs/dbraw/zinc/55/10/63/952551063.db2.gz AFHHMRPRWIAFSY-UHFFFAOYSA-N -1 1 377.767 0.875 20 0 GCADMM O=C(N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1(c2ccccn2)CC1 ZINC001571127254 952552499 /nfs/dbraw/zinc/55/24/99/952552499.db2.gz IEJGSMYACUURHR-LBPRGKRZSA-N -1 1 377.412 0.218 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571127462 952554772 /nfs/dbraw/zinc/55/47/72/952554772.db2.gz JQMYNXGVKIQSKS-LSDHHAIUSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571127462 952554777 /nfs/dbraw/zinc/55/47/77/952554777.db2.gz JQMYNXGVKIQSKS-LSDHHAIUSA-N -1 1 377.412 0.935 20 0 GCADMM Cc1cnccc1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571127487 952556740 /nfs/dbraw/zinc/55/67/40/952556740.db2.gz KRPLHFHXYBCFMQ-BETUJISGSA-N -1 1 377.412 0.569 20 0 GCADMM Cc1cnccc1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571127487 952556742 /nfs/dbraw/zinc/55/67/42/952556742.db2.gz KRPLHFHXYBCFMQ-BETUJISGSA-N -1 1 377.412 0.569 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1nc(Cl)cs1 ZINC001571127587 952557607 /nfs/dbraw/zinc/55/76/07/952557607.db2.gz JGYQVZBPHFXYHB-ZETCQYMHSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1nc(Cl)cs1 ZINC001571127587 952557614 /nfs/dbraw/zinc/55/76/14/952557614.db2.gz JGYQVZBPHFXYHB-ZETCQYMHSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(c1cccnc1)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571127836 952560649 /nfs/dbraw/zinc/56/06/49/952560649.db2.gz OPELJGBFIXCCJT-SFHVURJKSA-N -1 1 377.412 0.794 20 0 GCADMM O=C(c1cccnc1)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571127836 952560655 /nfs/dbraw/zinc/56/06/55/952560655.db2.gz OPELJGBFIXCCJT-SFHVURJKSA-N -1 1 377.412 0.794 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571127825 952560893 /nfs/dbraw/zinc/56/08/93/952560893.db2.gz OJOAIIDIFXMPJX-CABCVRRESA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571127825 952560896 /nfs/dbraw/zinc/56/08/96/952560896.db2.gz OJOAIIDIFXMPJX-CABCVRRESA-N -1 1 377.412 0.935 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(C2CC2)cn1 ZINC001571128147 952563794 /nfs/dbraw/zinc/56/37/94/952563794.db2.gz PAXMDGCOJIMNGI-ZDUSSCGKSA-N -1 1 377.412 0.938 20 0 GCADMM COC(=O)[C@]12CCC[C@H]1N(C(=O)NCc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001571128447 952567251 /nfs/dbraw/zinc/56/72/51/952567251.db2.gz SNIOOBURNXPMOJ-BMIGLBTASA-N -1 1 377.430 0.950 20 0 GCADMM COC(=O)[C@]12CCC[C@H]1N(C(=O)NCc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001571128447 952567257 /nfs/dbraw/zinc/56/72/57/952567257.db2.gz SNIOOBURNXPMOJ-BMIGLBTASA-N -1 1 377.430 0.950 20 0 GCADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571128747 952569478 /nfs/dbraw/zinc/56/94/78/952569478.db2.gz XGYYJVKGXHYYNS-QMMMGPOBSA-N -1 1 377.459 0.834 20 0 GCADMM Cn1c(=O)[nH]c(NC[C@](C)(O)c2cccc(Cl)c2)c(-c2nn[n-]n2)c1=O ZINC001571128715 952569989 /nfs/dbraw/zinc/56/99/89/952569989.db2.gz WXGWLMPBFHLKFE-HNNXBMFYSA-N -1 1 377.792 0.639 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575215920 952570366 /nfs/dbraw/zinc/57/03/66/952570366.db2.gz ZJWHSLZVGHDKEL-ZJUUUORDSA-N -1 1 382.375 0.004 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575215920 952570369 /nfs/dbraw/zinc/57/03/69/952570369.db2.gz ZJWHSLZVGHDKEL-ZJUUUORDSA-N -1 1 382.375 0.004 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2cccnc2C1 ZINC001571128783 952571333 /nfs/dbraw/zinc/57/13/33/952571333.db2.gz WKRJIWVBUIESMX-QWHCGFSZSA-N -1 1 377.412 0.162 20 0 GCADMM Cc1nsc(N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c1-c1nnn[n-]1 ZINC001571129163 952572858 /nfs/dbraw/zinc/57/28/58/952572858.db2.gz AOQPDQLUVSPDKH-SFYZADRCSA-N -1 1 378.336 0.941 20 0 GCADMM Cc1nsc(N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c1-c1nn[n-]n1 ZINC001571129163 952572863 /nfs/dbraw/zinc/57/28/63/952572863.db2.gz AOQPDQLUVSPDKH-SFYZADRCSA-N -1 1 378.336 0.941 20 0 GCADMM C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571129523 952574988 /nfs/dbraw/zinc/57/49/88/952574988.db2.gz FXWMXTBSIOHOBR-MWLCHTKSSA-N -1 1 378.387 0.773 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCO2 ZINC001571129538 952575136 /nfs/dbraw/zinc/57/51/36/952575136.db2.gz GLRWDCHDAIEBFR-CYBMUJFWSA-N -1 1 378.396 0.600 20 0 GCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCc1nncn1C1CC1 ZINC001571129486 952575574 /nfs/dbraw/zinc/57/55/74/952575574.db2.gz DZXDBUKZBKMPRZ-UHFFFAOYSA-N -1 1 378.393 0.719 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC(F)(F)C1 ZINC001571129727 952575943 /nfs/dbraw/zinc/57/59/43/952575943.db2.gz IFUMWHOIYCUTGJ-GHMZBOCLSA-N -1 1 378.387 0.963 20 0 GCADMM O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC(F)(F)C1 ZINC001571129729 952576816 /nfs/dbraw/zinc/57/68/16/952576816.db2.gz IFUMWHOIYCUTGJ-MNOVXSKESA-N -1 1 378.387 0.963 20 0 GCADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCC(F)(F)C1 ZINC001571130046 952578943 /nfs/dbraw/zinc/57/89/43/952578943.db2.gz NUPGZMGCBSEJKT-YVNMAJEFSA-N -1 1 378.387 0.821 20 0 GCADMM CN(C(=O)[C@H]1C[C@@H]1C(F)F)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571130567 952581074 /nfs/dbraw/zinc/58/10/74/952581074.db2.gz TWKNYHZEYWXCHL-QWRGUYRKSA-N -1 1 378.387 0.985 20 0 GCADMM CN(C(=O)[C@H]1C[C@@H]1C(F)F)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571130567 952581078 /nfs/dbraw/zinc/58/10/78/952581078.db2.gz TWKNYHZEYWXCHL-QWRGUYRKSA-N -1 1 378.387 0.985 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571130764 952582906 /nfs/dbraw/zinc/58/29/06/952582906.db2.gz WYWZUFJZPCMDGV-DCAQKATOSA-N -1 1 378.387 0.843 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571130764 952582912 /nfs/dbraw/zinc/58/29/12/952582912.db2.gz WYWZUFJZPCMDGV-DCAQKATOSA-N -1 1 378.387 0.843 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccccc1O ZINC001571130911 952583024 /nfs/dbraw/zinc/58/30/24/952583024.db2.gz YICRVKUTVARKTR-XYYAHUGASA-N -1 1 378.396 0.475 20 0 GCADMM CCOC(=O)[C@](C)(CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC001571134742 952595121 /nfs/dbraw/zinc/59/51/21/952595121.db2.gz KVBLRJZFOAMNPP-ZBEGNZNMSA-N -1 1 378.437 0.751 20 0 GCADMM O=C(c1ccc2c(c1)CCO2)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135666 952607088 /nfs/dbraw/zinc/60/70/88/952607088.db2.gz ANCOAYGTWMSHDU-ZDUSSCGKSA-N -1 1 378.396 0.918 20 0 GCADMM O=C(c1ccc2c(c1)CCO2)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135666 952607091 /nfs/dbraw/zinc/60/70/91/952607091.db2.gz ANCOAYGTWMSHDU-ZDUSSCGKSA-N -1 1 378.396 0.918 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)[C@H](F)C(C)C)CCO2)n1 ZINC001571135939 952610946 /nfs/dbraw/zinc/61/09/46/952610946.db2.gz IQIOIALHKLCRDF-DGCLKSJQSA-N -1 1 378.412 0.599 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)[C@H](F)C(C)C)CCO2)n1 ZINC001571135939 952610950 /nfs/dbraw/zinc/61/09/50/952610950.db2.gz IQIOIALHKLCRDF-DGCLKSJQSA-N -1 1 378.412 0.599 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)c1cccnn1 ZINC001571136592 952614999 /nfs/dbraw/zinc/61/49/99/952614999.db2.gz SALQILCKQMKNSJ-YOGCLGLASA-N -1 1 378.400 0.377 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)c1cccnn1 ZINC001571136592 952615002 /nfs/dbraw/zinc/61/50/02/952615002.db2.gz SALQILCKQMKNSJ-YOGCLGLASA-N -1 1 378.400 0.377 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cncnc1C1CC1 ZINC001571136620 952615030 /nfs/dbraw/zinc/61/50/30/952615030.db2.gz SYRPDJXIINDEFD-LLVKDONJSA-N -1 1 378.400 0.333 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1ncccn1 ZINC001571136585 952615102 /nfs/dbraw/zinc/61/51/02/952615102.db2.gz RPLOVMLUJGSDCC-YVEFUNNKSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1ncccn1 ZINC001571136585 952615105 /nfs/dbraw/zinc/61/51/05/952615105.db2.gz RPLOVMLUJGSDCC-YVEFUNNKSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571136603 952615241 /nfs/dbraw/zinc/61/52/41/952615241.db2.gz SHQHSVZMXPGHGL-QWRGUYRKSA-N -1 1 378.400 0.361 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)c1ccncn1 ZINC001571136763 952616389 /nfs/dbraw/zinc/61/63/89/952616389.db2.gz UYWOROSXCVEPIK-UHFFFAOYSA-N -1 1 378.400 0.600 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)c1ccncn1 ZINC001571136763 952616391 /nfs/dbraw/zinc/61/63/91/952616391.db2.gz UYWOROSXCVEPIK-UHFFFAOYSA-N -1 1 378.400 0.600 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1ccnnc1 ZINC001571136794 952616426 /nfs/dbraw/zinc/61/64/26/952616426.db2.gz WCFHOOUNPMXBIG-YHWZYXNKSA-N -1 1 378.400 0.377 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1ccnnc1 ZINC001571136794 952616428 /nfs/dbraw/zinc/61/64/28/952616428.db2.gz WCFHOOUNPMXBIG-YHWZYXNKSA-N -1 1 378.400 0.377 20 0 GCADMM O=C(c1conc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571139656 952621228 /nfs/dbraw/zinc/62/12/28/952621228.db2.gz KJGFEKQSSPKACK-QWRGUYRKSA-N -1 1 379.384 0.625 20 0 GCADMM O=C(c1conc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571139656 952621232 /nfs/dbraw/zinc/62/12/32/952621232.db2.gz KJGFEKQSSPKACK-QWRGUYRKSA-N -1 1 379.384 0.625 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571139680 952622029 /nfs/dbraw/zinc/62/20/29/952622029.db2.gz KNZCIOIGXVDQBN-QWRGUYRKSA-N -1 1 379.384 0.164 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571139680 952622032 /nfs/dbraw/zinc/62/20/32/952622032.db2.gz KNZCIOIGXVDQBN-QWRGUYRKSA-N -1 1 379.384 0.164 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1ccc(=O)[nH]c1 ZINC001571141667 952635388 /nfs/dbraw/zinc/63/53/88/952635388.db2.gz YIWZPGNKVTYCFS-WOPDTQHZSA-N -1 1 379.384 0.297 20 0 GCADMM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571142726 952644836 /nfs/dbraw/zinc/64/48/36/952644836.db2.gz WRLQDPPFWIWDSS-ZANVPECISA-N -1 1 378.458 0.600 20 0 GCADMM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571142723 952644926 /nfs/dbraw/zinc/64/49/26/952644926.db2.gz WRLQDPPFWIWDSS-NOZJJQNGSA-N -1 1 378.458 0.600 20 0 GCADMM COC(=O)c1ccc(Oc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c(Cl)c1 ZINC001571142718 952645247 /nfs/dbraw/zinc/64/52/47/952645247.db2.gz WNOARSOZJLJXHL-UHFFFAOYSA-N -1 1 378.732 0.486 20 0 GCADMM Cc1cnccc1CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571146020 952646739 /nfs/dbraw/zinc/64/67/39/952646739.db2.gz AAACBUXNUDIHBF-CQSZACIVSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1cnccc1CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571146020 952646742 /nfs/dbraw/zinc/64/67/42/952646742.db2.gz AAACBUXNUDIHBF-CQSZACIVSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1ncccc1CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571146066 952647280 /nfs/dbraw/zinc/64/72/80/952647280.db2.gz BPALTWOHVQWOLF-MQMHXKEQSA-N -1 1 379.428 0.910 20 0 GCADMM Cc1ncccc1CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571146066 952647282 /nfs/dbraw/zinc/64/72/82/952647282.db2.gz BPALTWOHVQWOLF-MQMHXKEQSA-N -1 1 379.428 0.910 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571146603 952649700 /nfs/dbraw/zinc/64/97/00/952649700.db2.gz JNLRGXZPHHGDSV-JSGCOSHPSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571146603 952649704 /nfs/dbraw/zinc/64/97/04/952649704.db2.gz JNLRGXZPHHGDSV-JSGCOSHPSA-N -1 1 379.428 0.736 20 0 GCADMM O=C(Cc1ccc[nH]1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571146829 952652959 /nfs/dbraw/zinc/65/29/59/952652959.db2.gz NHPIGJHSNODPSU-OKILXGFUSA-N -1 1 379.428 0.797 20 0 GCADMM O=C(Cc1ccc[nH]1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571146829 952652960 /nfs/dbraw/zinc/65/29/60/952652960.db2.gz NHPIGJHSNODPSU-OKILXGFUSA-N -1 1 379.428 0.797 20 0 GCADMM Cc1cnccc1CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146853 952653333 /nfs/dbraw/zinc/65/33/33/952653333.db2.gz OAUXWIYWDDSIEJ-CQSZACIVSA-N -1 1 379.428 0.688 20 0 GCADMM Cc1cnccc1CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146853 952653335 /nfs/dbraw/zinc/65/33/35/952653335.db2.gz OAUXWIYWDDSIEJ-CQSZACIVSA-N -1 1 379.428 0.688 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001571146923 952654584 /nfs/dbraw/zinc/65/45/84/952654584.db2.gz CXQTVLHIFPQXRN-GXTWGEPZSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001571146923 952654586 /nfs/dbraw/zinc/65/45/86/952654586.db2.gz CXQTVLHIFPQXRN-GXTWGEPZSA-N -1 1 379.428 0.943 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571146985 952655096 /nfs/dbraw/zinc/65/50/96/952655096.db2.gz FPMMIILYRRQSJF-ATCWAGBWSA-N -1 1 379.428 0.904 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571146985 952655101 /nfs/dbraw/zinc/65/51/01/952655101.db2.gz FPMMIILYRRQSJF-ATCWAGBWSA-N -1 1 379.428 0.904 20 0 GCADMM CN(C(=O)c1cc2c([nH]1)CCC2)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571147011 952655184 /nfs/dbraw/zinc/65/51/84/952655184.db2.gz GPWGNIOHNKKRKD-GFCCVEGCSA-N -1 1 379.428 0.824 20 0 GCADMM CN(C(=O)c1cc2c([nH]1)CCC2)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571147011 952655187 /nfs/dbraw/zinc/65/51/87/952655187.db2.gz GPWGNIOHNKKRKD-GFCCVEGCSA-N -1 1 379.428 0.824 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001571147119 952657519 /nfs/dbraw/zinc/65/75/19/952657519.db2.gz GSOLPCCUQOLNOW-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571147119 952657520 /nfs/dbraw/zinc/65/75/20/952657520.db2.gz GSOLPCCUQOLNOW-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM CCc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC001571147137 952657592 /nfs/dbraw/zinc/65/75/92/952657592.db2.gz HGFLBKLSNMDZNN-UHFFFAOYSA-N -1 1 379.428 0.505 20 0 GCADMM CCc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC001571147137 952657596 /nfs/dbraw/zinc/65/75/96/952657596.db2.gz HGFLBKLSNMDZNN-UHFFFAOYSA-N -1 1 379.428 0.505 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001571147194 952658815 /nfs/dbraw/zinc/65/88/15/952658815.db2.gz ISPARCWXWYVXIB-GXTWGEPZSA-N -1 1 379.428 0.680 20 0 GCADMM Cc1cnccc1CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571147289 952660072 /nfs/dbraw/zinc/66/00/72/952660072.db2.gz WNMQDSQHYAHDJL-MQMHXKEQSA-N -1 1 379.428 0.910 20 0 GCADMM Cc1cnccc1CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571147289 952660074 /nfs/dbraw/zinc/66/00/74/952660074.db2.gz WNMQDSQHYAHDJL-MQMHXKEQSA-N -1 1 379.428 0.910 20 0 GCADMM C[C@@H](C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571147403 952660717 /nfs/dbraw/zinc/66/07/17/952660717.db2.gz MALUFDISEZEXFQ-LKSINWNRSA-N -1 1 379.428 0.584 20 0 GCADMM CCc1ccnc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571147507 952662464 /nfs/dbraw/zinc/66/24/64/952662464.db2.gz MLMGWWXNNOWIGM-CYBMUJFWSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1ccnc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571147507 952662467 /nfs/dbraw/zinc/66/24/67/952662467.db2.gz MLMGWWXNNOWIGM-CYBMUJFWSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1ccnc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571147508 952662517 /nfs/dbraw/zinc/66/25/17/952662517.db2.gz MLMGWWXNNOWIGM-ZDUSSCGKSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1ccnc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571147508 952662520 /nfs/dbraw/zinc/66/25/20/952662520.db2.gz MLMGWWXNNOWIGM-ZDUSSCGKSA-N -1 1 379.428 0.965 20 0 GCADMM CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571147511 952662910 /nfs/dbraw/zinc/66/29/10/952662910.db2.gz MOGBHVPDQOBIKB-ZDUSSCGKSA-N -1 1 379.428 0.464 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001571148040 952665777 /nfs/dbraw/zinc/66/57/77/952665777.db2.gz UAABTLSHUBPNBB-MCIONIFRSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001571148325 952666276 /nfs/dbraw/zinc/66/62/76/952666276.db2.gz YNJMVUQEYVOTFJ-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001571148325 952666279 /nfs/dbraw/zinc/66/62/79/952666279.db2.gz YNJMVUQEYVOTFJ-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccc1 ZINC001571148427 952667658 /nfs/dbraw/zinc/66/76/58/952667658.db2.gz ZGSDNTOZXUBPRP-MELADBBJSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccc1 ZINC001571148427 952667663 /nfs/dbraw/zinc/66/76/63/952667663.db2.gz ZGSDNTOZXUBPRP-MELADBBJSA-N -1 1 379.428 0.757 20 0 GCADMM Cc1nsc(N2CC[C@](C)(NC(=O)[C@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571151766 952677634 /nfs/dbraw/zinc/67/76/34/952677634.db2.gz WYVZDVSJQDZPJX-BMIGLBTASA-N -1 1 379.446 0.132 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1F ZINC001571154215 952689635 /nfs/dbraw/zinc/68/96/35/952689635.db2.gz ZXLCDLFBVNCVKM-UHFFFAOYSA-N -1 1 380.336 0.701 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1F ZINC001571154215 952689637 /nfs/dbraw/zinc/68/96/37/952689637.db2.gz ZXLCDLFBVNCVKM-UHFFFAOYSA-N -1 1 380.336 0.701 20 0 GCADMM COCc1ccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001571154834 952690111 /nfs/dbraw/zinc/69/01/11/952690111.db2.gz CBSXQTDADAFFGG-UHFFFAOYSA-N -1 1 380.412 0.766 20 0 GCADMM COCc1ccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001571154834 952690114 /nfs/dbraw/zinc/69/01/14/952690114.db2.gz CBSXQTDADAFFGG-UHFFFAOYSA-N -1 1 380.412 0.766 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)c1ccco1 ZINC001571154782 952690147 /nfs/dbraw/zinc/69/01/47/952690147.db2.gz BDTRDFQSWAJHSQ-UPJWGTAASA-N -1 1 380.412 0.948 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)c1ccco1 ZINC001571154782 952690149 /nfs/dbraw/zinc/69/01/49/952690149.db2.gz BDTRDFQSWAJHSQ-UPJWGTAASA-N -1 1 380.412 0.948 20 0 GCADMM CO[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1ccccc1 ZINC001571155074 952692466 /nfs/dbraw/zinc/69/24/66/952692466.db2.gz GUHCJBPGKHXLOQ-HUUCEWRRSA-N -1 1 380.412 0.599 20 0 GCADMM CO[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccccc1 ZINC001571155074 952692470 /nfs/dbraw/zinc/69/24/70/952692470.db2.gz GUHCJBPGKHXLOQ-HUUCEWRRSA-N -1 1 380.412 0.599 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2ccc(F)cc21 ZINC001571155174 952693454 /nfs/dbraw/zinc/69/34/54/952693454.db2.gz JUMCKWCNFGCAMP-JSGCOSHPSA-N -1 1 380.387 0.831 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571155281 952694797 /nfs/dbraw/zinc/69/47/97/952694797.db2.gz MUYXJTHZMOWQKA-AGIUHOORSA-N -1 1 380.412 0.918 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571155281 952694801 /nfs/dbraw/zinc/69/48/01/952694801.db2.gz MUYXJTHZMOWQKA-AGIUHOORSA-N -1 1 380.412 0.918 20 0 GCADMM CN(C[C@H](O)CN(C)C(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001571155483 952697771 /nfs/dbraw/zinc/69/77/71/952697771.db2.gz UEOKUWRDVSCKJD-LLVKDONJSA-N -1 1 380.405 0.760 20 0 GCADMM CN(C[C@H](O)CN(C)C(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC001571155483 952697775 /nfs/dbraw/zinc/69/77/75/952697775.db2.gz UEOKUWRDVSCKJD-LLVKDONJSA-N -1 1 380.405 0.760 20 0 GCADMM COCc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571155512 952697840 /nfs/dbraw/zinc/69/78/40/952697840.db2.gz VBHGDCZMGOJKNS-CQSZACIVSA-N -1 1 380.412 0.552 20 0 GCADMM Cc1ccncc1CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571155990 952700226 /nfs/dbraw/zinc/70/02/26/952700226.db2.gz AESVYPIKOGTDEH-TZMCWYRMSA-N -1 1 379.428 0.544 20 0 GCADMM Cc1ccncc1CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571155990 952700231 /nfs/dbraw/zinc/70/02/31/952700231.db2.gz AESVYPIKOGTDEH-TZMCWYRMSA-N -1 1 379.428 0.544 20 0 GCADMM Cc1cc(C)nc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571156027 952700766 /nfs/dbraw/zinc/70/07/66/952700766.db2.gz BARDYFCWPLHDFA-ZDUSSCGKSA-N -1 1 379.428 0.986 20 0 GCADMM Cc1cc(C)nc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571156027 952700768 /nfs/dbraw/zinc/70/07/68/952700768.db2.gz BARDYFCWPLHDFA-ZDUSSCGKSA-N -1 1 379.428 0.986 20 0 GCADMM Cc1cnccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571156054 952701285 /nfs/dbraw/zinc/70/12/85/952701285.db2.gz BVUGCAJMKTZWNL-GXTWGEPZSA-N -1 1 379.428 0.745 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571156599 952702520 /nfs/dbraw/zinc/70/25/20/952702520.db2.gz DRARWGOWDFNGOU-ZDUSSCGKSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571156599 952702524 /nfs/dbraw/zinc/70/25/24/952702524.db2.gz DRARWGOWDFNGOU-ZDUSSCGKSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1cnccc1C(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571156707 952703051 /nfs/dbraw/zinc/70/30/51/952703051.db2.gz HLBRKGVSXSMXDD-CHWSQXEVSA-N -1 1 379.428 0.935 20 0 GCADMM Cc1cnc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1C ZINC001571156791 952704880 /nfs/dbraw/zinc/70/48/80/952704880.db2.gz JOAQIIFOBTZYOD-CYBMUJFWSA-N -1 1 379.428 0.807 20 0 GCADMM COc1ccccc1CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571158458 952710788 /nfs/dbraw/zinc/71/07/88/952710788.db2.gz IFRFSNWELJSCLO-UHFFFAOYSA-N -1 1 380.412 0.557 20 0 GCADMM COc1ccccc1CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571158458 952710792 /nfs/dbraw/zinc/71/07/92/952710792.db2.gz IFRFSNWELJSCLO-UHFFFAOYSA-N -1 1 380.412 0.557 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](CNC(=O)c3ccccc3)C2)n1 ZINC001571158339 952711325 /nfs/dbraw/zinc/71/13/25/952711325.db2.gz HSJOFBYIVQPNMZ-CQSZACIVSA-N -1 1 380.412 0.600 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](CNC(=O)c3ccccc3)C2)n1 ZINC001571158339 952711329 /nfs/dbraw/zinc/71/13/29/952711329.db2.gz HSJOFBYIVQPNMZ-CQSZACIVSA-N -1 1 380.412 0.600 20 0 GCADMM COc1ccccc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571158319 952711465 /nfs/dbraw/zinc/71/14/65/952711465.db2.gz HAIVJKWMEBZFBI-ZDUSSCGKSA-N -1 1 380.412 0.603 20 0 GCADMM COc1ccccc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571158319 952711467 /nfs/dbraw/zinc/71/14/67/952711467.db2.gz HAIVJKWMEBZFBI-ZDUSSCGKSA-N -1 1 380.412 0.603 20 0 GCADMM COc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)cc1 ZINC001571158517 952712530 /nfs/dbraw/zinc/71/25/30/952712530.db2.gz KGCMMCRFPXMCFP-RISCZKNCSA-N -1 1 380.412 0.802 20 0 GCADMM C[C@]12CN(C(=O)Cc3ccoc3)C[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571159048 952716895 /nfs/dbraw/zinc/71/68/95/952716895.db2.gz PSHNZGXCYRXGAE-SCLBCKFNSA-N -1 1 380.412 0.777 20 0 GCADMM C[C@]12CN(C(=O)Cc3ccoc3)C[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571159048 952716896 /nfs/dbraw/zinc/71/68/96/952716896.db2.gz PSHNZGXCYRXGAE-SCLBCKFNSA-N -1 1 380.412 0.777 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)c1 ZINC001571159361 952718060 /nfs/dbraw/zinc/71/80/60/952718060.db2.gz VLUIMOBTHDXTIT-AAEUAGOBSA-N -1 1 380.412 0.802 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1O ZINC001571161051 952729532 /nfs/dbraw/zinc/72/95/32/952729532.db2.gz PPCDKTPAZDNUQO-NWDGAFQWSA-N -1 1 380.412 0.795 20 0 GCADMM O=C(c1ccccc1)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571161213 952730431 /nfs/dbraw/zinc/73/04/31/952730431.db2.gz RFGWXPKGOUVQLY-CQSZACIVSA-N -1 1 380.412 0.422 20 0 GCADMM O=C(Cc1ccco1)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571161190 952730442 /nfs/dbraw/zinc/73/04/42/952730442.db2.gz QNBSVGGQVJQSOS-CYBMUJFWSA-N -1 1 380.412 0.968 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571161408 952731806 /nfs/dbraw/zinc/73/18/06/952731806.db2.gz UXBMQOUWZXUNRZ-JHJVBQTASA-N -1 1 380.412 0.996 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571161408 952731812 /nfs/dbraw/zinc/73/18/12/952731812.db2.gz UXBMQOUWZXUNRZ-JHJVBQTASA-N -1 1 380.412 0.996 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C1C=CC=CC=C1 ZINC001571161284 952732132 /nfs/dbraw/zinc/73/21/32/952732132.db2.gz UFOMIZZZBQRLPI-HIFRSBDPSA-N -1 1 380.412 0.011 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C1C=CC=CC=C1 ZINC001571161284 952732133 /nfs/dbraw/zinc/73/21/33/952732133.db2.gz UFOMIZZZBQRLPI-HIFRSBDPSA-N -1 1 380.412 0.011 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571161794 952734486 /nfs/dbraw/zinc/73/44/86/952734486.db2.gz AIVLNDKUSRHIDA-ZWNOBZJWSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571161794 952734489 /nfs/dbraw/zinc/73/44/89/952734489.db2.gz AIVLNDKUSRHIDA-ZWNOBZJWSA-N -1 1 380.416 0.372 20 0 GCADMM CCc1ncncc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571161873 952734956 /nfs/dbraw/zinc/73/49/56/952734956.db2.gz CYZISBLGYLJCET-NSHDSACASA-N -1 1 380.416 0.265 20 0 GCADMM CCc1ncncc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571161873 952734960 /nfs/dbraw/zinc/73/49/60/952734960.db2.gz CYZISBLGYLJCET-NSHDSACASA-N -1 1 380.416 0.265 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)CCc3cncnc3)CC2)n1 ZINC001571161842 952734976 /nfs/dbraw/zinc/73/49/76/952734976.db2.gz BZKPEXUYPVELCF-UHFFFAOYSA-N -1 1 380.416 0.037 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)CCc3cncnc3)CC2)n1 ZINC001571161842 952734977 /nfs/dbraw/zinc/73/49/77/952734977.db2.gz BZKPEXUYPVELCF-UHFFFAOYSA-N -1 1 380.416 0.037 20 0 GCADMM CCN(C(=O)c1cnc(C)cn1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571161831 952735101 /nfs/dbraw/zinc/73/51/01/952735101.db2.gz BJYJTGOELHJNSH-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1cnc(C)cn1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571161831 952735106 /nfs/dbraw/zinc/73/51/06/952735106.db2.gz BJYJTGOELHJNSH-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3ncccn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571161874 952735159 /nfs/dbraw/zinc/73/51/59/952735159.db2.gz CZBDHMQOKKBVLY-XYPYZODXSA-N -1 1 380.416 0.630 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3ncccn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571161874 952735164 /nfs/dbraw/zinc/73/51/64/952735164.db2.gz CZBDHMQOKKBVLY-XYPYZODXSA-N -1 1 380.416 0.630 20 0 GCADMM CCc1ncncc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571161872 952735331 /nfs/dbraw/zinc/73/53/31/952735331.db2.gz CYZISBLGYLJCET-LLVKDONJSA-N -1 1 380.416 0.265 20 0 GCADMM CCc1ncncc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571161872 952735335 /nfs/dbraw/zinc/73/53/35/952735335.db2.gz CYZISBLGYLJCET-LLVKDONJSA-N -1 1 380.416 0.265 20 0 GCADMM CCN(C(=O)c1cnc(C)cn1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571161830 952735465 /nfs/dbraw/zinc/73/54/65/952735465.db2.gz BJYJTGOELHJNSH-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1cnc(C)cn1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571161830 952735467 /nfs/dbraw/zinc/73/54/67/952735467.db2.gz BJYJTGOELHJNSH-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CCc1nnc(C)cc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571161800 952735623 /nfs/dbraw/zinc/73/56/23/952735623.db2.gz AVGCRUBQJBPWBO-NSHDSACASA-N -1 1 380.416 0.644 20 0 GCADMM CCc1nnc(C)cc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571161800 952735627 /nfs/dbraw/zinc/73/56/27/952735627.db2.gz AVGCRUBQJBPWBO-NSHDSACASA-N -1 1 380.416 0.644 20 0 GCADMM Cc1ccnc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571161910 952736095 /nfs/dbraw/zinc/73/60/95/952736095.db2.gz DURVCUQCYVZJAM-RYUDHWBXSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ccnc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571161910 952736101 /nfs/dbraw/zinc/73/61/01/952736101.db2.gz DURVCUQCYVZJAM-RYUDHWBXSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571161965 952737301 /nfs/dbraw/zinc/73/73/01/952737301.db2.gz GLADIZRNWITXMQ-YPMHNXCESA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571161965 952737306 /nfs/dbraw/zinc/73/73/06/952737306.db2.gz GLADIZRNWITXMQ-YPMHNXCESA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)c3ncccn3)CC2)n1 ZINC001571162016 952737406 /nfs/dbraw/zinc/73/74/06/952737406.db2.gz HWPDMUHVPNIUBB-UHFFFAOYSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)c3ncccn3)CC2)n1 ZINC001571162016 952737408 /nfs/dbraw/zinc/73/74/08/952737408.db2.gz HWPDMUHVPNIUBB-UHFFFAOYSA-N -1 1 380.416 0.719 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1n[nH]c2c1CCC2 ZINC001571161997 952737662 /nfs/dbraw/zinc/73/76/62/952737662.db2.gz HDUKQYTXOPHLJQ-NXEZZACHSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1n[nH]c2c1CCC2 ZINC001571161997 952737667 /nfs/dbraw/zinc/73/76/67/952737667.db2.gz HDUKQYTXOPHLJQ-NXEZZACHSA-N -1 1 380.416 0.584 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571162073 952738143 /nfs/dbraw/zinc/73/81/43/952738143.db2.gz JGEVQMNJHNYJED-VXGBXAGGSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571162073 952738151 /nfs/dbraw/zinc/73/81/51/952738151.db2.gz JGEVQMNJHNYJED-VXGBXAGGSA-N -1 1 380.416 0.841 20 0 GCADMM CCc1nnc(C)cc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571162118 952738228 /nfs/dbraw/zinc/73/82/28/952738228.db2.gz KPBBBSYMPYSTPL-XYPYZODXSA-N -1 1 380.416 0.690 20 0 GCADMM CCc1nnc(C)cc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571162118 952738231 /nfs/dbraw/zinc/73/82/31/952738231.db2.gz KPBBBSYMPYSTPL-XYPYZODXSA-N -1 1 380.416 0.690 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571162045 952738336 /nfs/dbraw/zinc/73/83/36/952738336.db2.gz ITGMLFNFQNWYQD-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571162045 952738338 /nfs/dbraw/zinc/73/83/38/952738338.db2.gz ITGMLFNFQNWYQD-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1cn2c(n1)CCC2 ZINC001571162063 952738640 /nfs/dbraw/zinc/73/86/40/952738640.db2.gz JAABEBQVBPNQFE-ZYHUDNBSSA-N -1 1 380.416 0.054 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1cn2c(n1)CCC2 ZINC001571162063 952738645 /nfs/dbraw/zinc/73/86/45/952738645.db2.gz JAABEBQVBPNQFE-ZYHUDNBSSA-N -1 1 380.416 0.054 20 0 GCADMM Cc1ccnc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571162088 952738924 /nfs/dbraw/zinc/73/89/24/952738924.db2.gz JSBLQXPTELEHGQ-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccnc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571162088 952738927 /nfs/dbraw/zinc/73/89/27/952738927.db2.gz JSBLQXPTELEHGQ-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM CN(C)c1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571162134 952739506 /nfs/dbraw/zinc/73/95/06/952739506.db2.gz LQRNKQIXQWOJJS-LBPRGKRZSA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571162134 952739509 /nfs/dbraw/zinc/73/95/09/952739509.db2.gz LQRNKQIXQWOJJS-LBPRGKRZSA-N -1 1 380.416 0.444 20 0 GCADMM C[C@@H](NC(=O)c1cncnc1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162164 952739553 /nfs/dbraw/zinc/73/95/53/952739553.db2.gz MLCKNFBVESMATO-VXGBXAGGSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@@H](NC(=O)c1cncnc1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162164 952739556 /nfs/dbraw/zinc/73/95/56/952739556.db2.gz MLCKNFBVESMATO-VXGBXAGGSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571162260 952740584 /nfs/dbraw/zinc/74/05/84/952740584.db2.gz OYIFQGGRYJBTBU-TXEJJXNPSA-N -1 1 380.416 0.111 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)cnn1 ZINC001571162224 952740925 /nfs/dbraw/zinc/74/09/25/952740925.db2.gz OEQCWXOBNQVRPL-AAEUAGOBSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)cnn1 ZINC001571162224 952740930 /nfs/dbraw/zinc/74/09/30/952740930.db2.gz OEQCWXOBNQVRPL-AAEUAGOBSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162244 952741223 /nfs/dbraw/zinc/74/12/23/952741223.db2.gz OMDHFGUOQRACBT-VXGBXAGGSA-N -1 1 380.416 0.140 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571162363 952743036 /nfs/dbraw/zinc/74/30/36/952743036.db2.gz RTYMATJCSKAYKF-GUYCJALGSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571162363 952743041 /nfs/dbraw/zinc/74/30/41/952743041.db2.gz RTYMATJCSKAYKF-GUYCJALGSA-N -1 1 380.416 0.620 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)c1cccnn1 ZINC001571162430 952743337 /nfs/dbraw/zinc/74/33/37/952743337.db2.gz UFMNQZJZQXJUGE-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)c1cccnn1 ZINC001571162430 952743339 /nfs/dbraw/zinc/74/33/39/952743339.db2.gz UFMNQZJZQXJUGE-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)ncn1 ZINC001571162461 952743903 /nfs/dbraw/zinc/74/39/03/952743903.db2.gz USHUSFXYECNSJU-RYUDHWBXSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)ncn1 ZINC001571162461 952743907 /nfs/dbraw/zinc/74/39/07/952743907.db2.gz USHUSFXYECNSJU-RYUDHWBXSA-N -1 1 380.416 0.779 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)c1ccnnc1 ZINC001571162469 952743977 /nfs/dbraw/zinc/74/39/77/952743977.db2.gz VBIXTHCOIAWVCC-RISCZKNCSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)c1ccnnc1 ZINC001571162469 952743981 /nfs/dbraw/zinc/74/39/81/952743981.db2.gz VBIXTHCOIAWVCC-RISCZKNCSA-N -1 1 380.416 0.942 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC001571162478 952744039 /nfs/dbraw/zinc/74/40/39/952744039.db2.gz VEJDWWMAVRXWTG-NSHDSACASA-N -1 1 380.416 0.608 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC001571162478 952744043 /nfs/dbraw/zinc/74/40/43/952744043.db2.gz VEJDWWMAVRXWTG-NSHDSACASA-N -1 1 380.416 0.608 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571162606 952744067 /nfs/dbraw/zinc/74/40/67/952744067.db2.gz WBSJINYGORBTGK-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571162606 952744071 /nfs/dbraw/zinc/74/40/71/952744071.db2.gz WBSJINYGORBTGK-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571162604 952744162 /nfs/dbraw/zinc/74/41/62/952744162.db2.gz WBSJINYGORBTGK-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571162604 952744165 /nfs/dbraw/zinc/74/41/65/952744165.db2.gz WBSJINYGORBTGK-NEPJUHHUSA-N -1 1 380.416 0.766 20 0 GCADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2ccncn2)CC1 ZINC001571162574 952744509 /nfs/dbraw/zinc/74/45/09/952744509.db2.gz VWLXIHSHCUKSLM-UHFFFAOYSA-N -1 1 380.416 0.944 20 0 GCADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2ccncn2)CC1 ZINC001571162574 952744514 /nfs/dbraw/zinc/74/45/14/952744514.db2.gz VWLXIHSHCUKSLM-UHFFFAOYSA-N -1 1 380.416 0.944 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571162450 952744590 /nfs/dbraw/zinc/74/45/90/952744590.db2.gz UOMXJXPKDZIUBE-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571162450 952744596 /nfs/dbraw/zinc/74/45/96/952744596.db2.gz UOMXJXPKDZIUBE-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM C[C@H](NC(=O)c1cccnn1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571162655 952745036 /nfs/dbraw/zinc/74/50/36/952745036.db2.gz XHURHCITRBGELJ-RYUDHWBXSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@H](NC(=O)c1cccnn1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571162655 952745041 /nfs/dbraw/zinc/74/50/41/952745041.db2.gz XHURHCITRBGELJ-RYUDHWBXSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571162621 952745222 /nfs/dbraw/zinc/74/52/22/952745222.db2.gz WJLNIIRKRCMKJQ-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571162621 952745226 /nfs/dbraw/zinc/74/52/26/952745226.db2.gz WJLNIIRKRCMKJQ-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cnn1 ZINC001571162691 952745249 /nfs/dbraw/zinc/74/52/49/952745249.db2.gz XWYBRQAOALHIFC-WCQYABFASA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cnn1 ZINC001571162691 952745254 /nfs/dbraw/zinc/74/52/54/952745254.db2.gz XWYBRQAOALHIFC-WCQYABFASA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)ncn1 ZINC001571162624 952745352 /nfs/dbraw/zinc/74/53/52/952745352.db2.gz WLGQKVWOBLTUEZ-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)ncn1 ZINC001571162624 952745356 /nfs/dbraw/zinc/74/53/56/952745356.db2.gz WLGQKVWOBLTUEZ-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1c(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)cnn1C ZINC001571162758 952745829 /nfs/dbraw/zinc/74/58/29/952745829.db2.gz ZNVMTLGTNMTNKW-WCQYABFASA-N -1 1 380.416 0.050 20 0 GCADMM Cc1c(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)cnn1C ZINC001571162758 952745833 /nfs/dbraw/zinc/74/58/33/952745833.db2.gz ZNVMTLGTNMTNKW-WCQYABFASA-N -1 1 380.416 0.050 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)c1ncccn1 ZINC001571164955 952745876 /nfs/dbraw/zinc/74/58/76/952745876.db2.gz ADQRFSILTAYCKZ-LBPRGKRZSA-N -1 1 380.416 0.626 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)ncn1 ZINC001571162746 952746464 /nfs/dbraw/zinc/74/64/64/952746464.db2.gz ZCYRBTLXJARIHX-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)ncn1 ZINC001571162746 952746470 /nfs/dbraw/zinc/74/64/70/952746470.db2.gz ZCYRBTLXJARIHX-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165051 952747160 /nfs/dbraw/zinc/74/71/60/952747160.db2.gz BQJVJIADLDVDEP-PWSUYJOCSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165051 952747162 /nfs/dbraw/zinc/74/71/62/952747162.db2.gz BQJVJIADLDVDEP-PWSUYJOCSA-N -1 1 380.416 0.718 20 0 GCADMM O=C(CCc1ccncn1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571165056 952747247 /nfs/dbraw/zinc/74/72/47/952747247.db2.gz BQYMYLSKDVRMSG-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1ccncn1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571165056 952747252 /nfs/dbraw/zinc/74/72/52/952747252.db2.gz BQYMYLSKDVRMSG-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571165142 952747298 /nfs/dbraw/zinc/74/72/98/952747298.db2.gz DDDIWHHDIBGLIY-UHFFFAOYSA-N -1 1 380.416 0.079 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571165142 952747302 /nfs/dbraw/zinc/74/73/02/952747302.db2.gz DDDIWHHDIBGLIY-UHFFFAOYSA-N -1 1 380.416 0.079 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571165132 952747696 /nfs/dbraw/zinc/74/76/96/952747696.db2.gz CPQPAWXIKXVURB-WOPDTQHZSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571165132 952747702 /nfs/dbraw/zinc/74/77/02/952747702.db2.gz CPQPAWXIKXVURB-WOPDTQHZSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)n1C ZINC001571165111 952747705 /nfs/dbraw/zinc/74/77/05/952747705.db2.gz CCGVSQIZZNYOKT-TXEJJXNPSA-N -1 1 380.416 0.192 20 0 GCADMM Cc1nnccc1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571165189 952748785 /nfs/dbraw/zinc/74/87/85/952748785.db2.gz FHIAHARKKZIMCA-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1nnccc1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571165189 952748787 /nfs/dbraw/zinc/74/87/87/952748787.db2.gz FHIAHARKKZIMCA-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cn1nccc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571165217 952748818 /nfs/dbraw/zinc/74/88/18/952748818.db2.gz GHWXVYZEXDVOTP-YOGCLGLASA-N -1 1 380.416 0.320 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)cn1 ZINC001571165174 952748900 /nfs/dbraw/zinc/74/89/00/952748900.db2.gz DYEFNDKVDLSTKK-SMDDNHRTSA-N -1 1 380.416 0.131 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)cn1 ZINC001571165174 952748902 /nfs/dbraw/zinc/74/89/02/952748902.db2.gz DYEFNDKVDLSTKK-SMDDNHRTSA-N -1 1 380.416 0.131 20 0 GCADMM O=C([C@H]1CCc2c[nH]nc2C1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165213 952748913 /nfs/dbraw/zinc/74/89/13/952748913.db2.gz GHGAEODAHFWNCC-CMPLNLGQSA-N -1 1 380.416 0.198 20 0 GCADMM O=C([C@H]1CCc2c[nH]nc2C1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165213 952748914 /nfs/dbraw/zinc/74/89/14/952748914.db2.gz GHGAEODAHFWNCC-CMPLNLGQSA-N -1 1 380.416 0.198 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165242 952749315 /nfs/dbraw/zinc/74/93/15/952749315.db2.gz GYCARYAPIUVUML-LLVKDONJSA-N -1 1 380.416 0.276 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165242 952749318 /nfs/dbraw/zinc/74/93/18/952749318.db2.gz GYCARYAPIUVUML-LLVKDONJSA-N -1 1 380.416 0.276 20 0 GCADMM O=C(c1cnn2c1CCCC2)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571165301 952749996 /nfs/dbraw/zinc/74/99/96/952749996.db2.gz BCIFTCMPYNAKCT-UHFFFAOYSA-N -1 1 380.416 0.152 20 0 GCADMM O=C(c1cnn2c1CCCC2)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571165301 952749999 /nfs/dbraw/zinc/74/99/99/952749999.db2.gz BCIFTCMPYNAKCT-UHFFFAOYSA-N -1 1 380.416 0.152 20 0 GCADMM Cc1ncc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c(C)n1 ZINC001571165464 952751214 /nfs/dbraw/zinc/75/12/14/952751214.db2.gz HJDAGEYBMPIFLM-BXKDBHETSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1ncc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c(C)n1 ZINC001571165464 952751217 /nfs/dbraw/zinc/75/12/17/952751217.db2.gz HJDAGEYBMPIFLM-BXKDBHETSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571165460 952751238 /nfs/dbraw/zinc/75/12/38/952751238.db2.gz HGICQBZYHJDBTQ-LBPRGKRZSA-N -1 1 380.416 0.141 20 0 GCADMM Cc1nccc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571165544 952751766 /nfs/dbraw/zinc/75/17/66/952751766.db2.gz JIXPMOPXLOCEGZ-LBPRGKRZSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1nccc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571165544 952751769 /nfs/dbraw/zinc/75/17/69/952751769.db2.gz JIXPMOPXLOCEGZ-LBPRGKRZSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1nccc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571165543 952751854 /nfs/dbraw/zinc/75/18/54/952751854.db2.gz JIXPMOPXLOCEGZ-GFCCVEGCSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1nccc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571165543 952751858 /nfs/dbraw/zinc/75/18/58/952751858.db2.gz JIXPMOPXLOCEGZ-GFCCVEGCSA-N -1 1 380.416 0.544 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571165820 952754922 /nfs/dbraw/zinc/75/49/22/952754922.db2.gz LOQVRPNUWAERLD-NSHDSACASA-N -1 1 380.416 0.974 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571165820 952754927 /nfs/dbraw/zinc/75/49/27/952754927.db2.gz LOQVRPNUWAERLD-NSHDSACASA-N -1 1 380.416 0.974 20 0 GCADMM Cc1nnccc1C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571166045 952756895 /nfs/dbraw/zinc/75/68/95/952756895.db2.gz MUPYWSJYMQOATJ-UHFFFAOYSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1nnccc1C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571166045 952756900 /nfs/dbraw/zinc/75/69/00/952756900.db2.gz MUPYWSJYMQOATJ-UHFFFAOYSA-N -1 1 380.416 0.862 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)c1ccn[nH]1 ZINC001571165989 952757114 /nfs/dbraw/zinc/75/71/14/952757114.db2.gz MKKIEGSYUWHVLK-CXAGYDPISA-N -1 1 380.416 0.559 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cn2c(n1)CCC2 ZINC001571166075 952757454 /nfs/dbraw/zinc/75/74/54/952757454.db2.gz NBIXBHUCVYURBM-NSHDSACASA-N -1 1 380.416 0.056 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cn2c(n1)CCC2 ZINC001571166075 952757458 /nfs/dbraw/zinc/75/74/58/952757458.db2.gz NBIXBHUCVYURBM-NSHDSACASA-N -1 1 380.416 0.056 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571166105 952758834 /nfs/dbraw/zinc/75/88/34/952758834.db2.gz NWORLHQANDSOGM-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571166105 952758836 /nfs/dbraw/zinc/75/88/36/952758836.db2.gz NWORLHQANDSOGM-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571166106 952759040 /nfs/dbraw/zinc/75/90/40/952759040.db2.gz NWORLHQANDSOGM-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571166106 952759046 /nfs/dbraw/zinc/75/90/46/952759046.db2.gz NWORLHQANDSOGM-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166309 952759486 /nfs/dbraw/zinc/75/94/86/952759486.db2.gz QPHXEDCXDUITPZ-IJLUTSLNSA-N -1 1 380.416 0.207 20 0 GCADMM Cn1cncc1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166427 952760766 /nfs/dbraw/zinc/76/07/66/952760766.db2.gz RMEXRNUEQRSNGB-DYVFJYSZSA-N -1 1 380.416 0.322 20 0 GCADMM Cn1cncc1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166427 952760768 /nfs/dbraw/zinc/76/07/68/952760768.db2.gz RMEXRNUEQRSNGB-DYVFJYSZSA-N -1 1 380.416 0.322 20 0 GCADMM Cc1ncc(C(=O)N[C@@]23CCC[C@@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)[nH]1 ZINC001571166502 952761462 /nfs/dbraw/zinc/76/14/62/952761462.db2.gz SRPJFVAUAFMHAU-SUMWQHHRSA-N -1 1 380.416 0.620 20 0 GCADMM Cn1cncc1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571166435 952761675 /nfs/dbraw/zinc/76/16/75/952761675.db2.gz ROJUGFUZTGXADS-GFCCVEGCSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1cncc1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571166435 952761682 /nfs/dbraw/zinc/76/16/82/952761682.db2.gz ROJUGFUZTGXADS-GFCCVEGCSA-N -1 1 380.416 0.179 20 0 GCADMM O=C([C@@H]1CCCc2n[nH]cc21)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571166447 952762069 /nfs/dbraw/zinc/76/20/69/952762069.db2.gz RUAKHEMDIVVHLY-LLVKDONJSA-N -1 1 380.416 0.149 20 0 GCADMM Cc1ncc(C(=O)N[C@]23CCC[C@@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)[nH]1 ZINC001571166497 952762091 /nfs/dbraw/zinc/76/20/91/952762091.db2.gz SRPJFVAUAFMHAU-GUYCJALGSA-N -1 1 380.416 0.620 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2cncn2C1 ZINC001571166440 952762132 /nfs/dbraw/zinc/76/21/32/952762132.db2.gz ROZMGANPVXVNLR-SRVKXCTJSA-N -1 1 380.416 0.175 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1C1CC1 ZINC001571166619 952762754 /nfs/dbraw/zinc/76/27/54/952762754.db2.gz UHMIZEVWKHDNKZ-LLVKDONJSA-N -1 1 380.416 0.276 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1C1CC1 ZINC001571166619 952762758 /nfs/dbraw/zinc/76/27/58/952762758.db2.gz UHMIZEVWKHDNKZ-LLVKDONJSA-N -1 1 380.416 0.276 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571166604 952763275 /nfs/dbraw/zinc/76/32/75/952763275.db2.gz UDIRXLAVDUAVRN-ZYHUDNBSSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571166604 952763278 /nfs/dbraw/zinc/76/32/78/952763278.db2.gz UDIRXLAVDUAVRN-ZYHUDNBSSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166546 952763285 /nfs/dbraw/zinc/76/32/85/952763285.db2.gz SYUUOHRDNCOAGU-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cnccn1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166546 952763289 /nfs/dbraw/zinc/76/32/89/952763289.db2.gz SYUUOHRDNCOAGU-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnc2n1CCC2 ZINC001571166803 952765289 /nfs/dbraw/zinc/76/52/89/952765289.db2.gz WIEQFAJTCVIPMT-UHFFFAOYSA-N -1 1 380.416 0.420 20 0 GCADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnc2n1CCC2 ZINC001571166803 952765295 /nfs/dbraw/zinc/76/52/95/952765295.db2.gz WIEQFAJTCVIPMT-UHFFFAOYSA-N -1 1 380.416 0.420 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCn2cncc2C1 ZINC001571166768 952765704 /nfs/dbraw/zinc/76/57/04/952765704.db2.gz VRMFEZHHYLVGFI-SRVKXCTJSA-N -1 1 380.416 0.175 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCn2cncc2C1 ZINC001571166768 952765705 /nfs/dbraw/zinc/76/57/05/952765705.db2.gz VRMFEZHHYLVGFI-SRVKXCTJSA-N -1 1 380.416 0.175 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571166825 952765818 /nfs/dbraw/zinc/76/58/18/952765818.db2.gz WQKWWPPSVJBHOH-STQMWFEESA-N -1 1 380.416 0.543 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571166825 952765819 /nfs/dbraw/zinc/76/58/19/952765819.db2.gz WQKWWPPSVJBHOH-STQMWFEESA-N -1 1 380.416 0.543 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)c1cncnc1 ZINC001571166870 952766446 /nfs/dbraw/zinc/76/64/46/952766446.db2.gz YJTPZEAKJVHIMG-CYBMUJFWSA-N -1 1 380.416 0.626 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)c1cncnc1 ZINC001571166870 952766452 /nfs/dbraw/zinc/76/64/52/952766452.db2.gz YJTPZEAKJVHIMG-CYBMUJFWSA-N -1 1 380.416 0.626 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC45CC5)[C@@H]3C2)n1 ZINC001571167080 952769489 /nfs/dbraw/zinc/76/94/89/952769489.db2.gz VBLLCTGMTJRKNP-RVMXOQNASA-N -1 1 380.456 0.818 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC45CC5)[C@@H]3C2)n1 ZINC001571167080 952769492 /nfs/dbraw/zinc/76/94/92/952769492.db2.gz VBLLCTGMTJRKNP-RVMXOQNASA-N -1 1 380.456 0.818 20 0 GCADMM CC(C)c1cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)on1 ZINC001571169998 952781804 /nfs/dbraw/zinc/78/18/04/952781804.db2.gz BYUGHJISJDSGHF-RTUWITSCSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1cc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)on1 ZINC001571169998 952781809 /nfs/dbraw/zinc/78/18/09/952781809.db2.gz BYUGHJISJDSGHF-RTUWITSCSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571169984 952781974 /nfs/dbraw/zinc/78/19/74/952781974.db2.gz BKYHPFRQPBKRFG-IAZYJMLFSA-N -1 1 381.400 0.633 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1coc(C2CC2)n1 ZINC001571170417 952785459 /nfs/dbraw/zinc/78/54/59/952785459.db2.gz JCLPNMMMQKZCIS-ONGXEEELSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571170747 952788069 /nfs/dbraw/zinc/78/80/69/952788069.db2.gz LDFICWVIJBVWRR-JQWIXIFHSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571170747 952788070 /nfs/dbraw/zinc/78/80/70/952788070.db2.gz LDFICWVIJBVWRR-JQWIXIFHSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001571170815 952789086 /nfs/dbraw/zinc/78/90/86/952789086.db2.gz LTEIVXQIZKRCHH-RISCZKNCSA-N -1 1 381.400 0.393 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001571170815 952789088 /nfs/dbraw/zinc/78/90/88/952789088.db2.gz LTEIVXQIZKRCHH-RISCZKNCSA-N -1 1 381.400 0.393 20 0 GCADMM C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571171057 952790398 /nfs/dbraw/zinc/79/03/98/952790398.db2.gz MPYYVBQMORIDBH-WDEREUQCSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571171057 952790406 /nfs/dbraw/zinc/79/04/06/952790406.db2.gz MPYYVBQMORIDBH-WDEREUQCSA-N -1 1 381.400 0.578 20 0 GCADMM O=C(c1ccc(F)cn1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571171100 952792038 /nfs/dbraw/zinc/79/20/38/952792038.db2.gz ONEMWSGSNULOMG-TXEJJXNPSA-N -1 1 381.375 0.684 20 0 GCADMM O=C(c1ccc(F)cn1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571171100 952792042 /nfs/dbraw/zinc/79/20/42/952792042.db2.gz ONEMWSGSNULOMG-TXEJJXNPSA-N -1 1 381.375 0.684 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571171406 952792598 /nfs/dbraw/zinc/79/25/98/952792598.db2.gz SKMACIKIVKPHPK-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571171406 952792603 /nfs/dbraw/zinc/79/26/03/952792603.db2.gz SKMACIKIVKPHPK-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1nc[nH]n1 ZINC001571171516 952793932 /nfs/dbraw/zinc/79/39/32/952793932.db2.gz BHPMLCOURXJEST-PHDIDXHHSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1nc[nH]n1 ZINC001571171516 952793936 /nfs/dbraw/zinc/79/39/36/952793936.db2.gz BHPMLCOURXJEST-PHDIDXHHSA-N -1 1 380.825 0.810 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001571171630 952794484 /nfs/dbraw/zinc/79/44/84/952794484.db2.gz UJDQEFIVJXRNBM-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001571171630 952794492 /nfs/dbraw/zinc/79/44/92/952794492.db2.gz UJDQEFIVJXRNBM-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM COC(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]2C[C@H]21 ZINC001571171671 952795702 /nfs/dbraw/zinc/79/57/02/952795702.db2.gz VXTPIFYUYYQJHY-KLBPJQLPSA-N -1 1 381.389 0.482 20 0 GCADMM CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571171827 952797940 /nfs/dbraw/zinc/79/79/40/952797940.db2.gz XOSVRIZSBHQFSR-FOGDFJRCSA-N -1 1 381.400 0.747 20 0 GCADMM CCc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001571171827 952797943 /nfs/dbraw/zinc/79/79/43/952797943.db2.gz XOSVRIZSBHQFSR-FOGDFJRCSA-N -1 1 381.400 0.747 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001571171828 952798121 /nfs/dbraw/zinc/79/81/21/952798121.db2.gz XPVAHKIJVCQBJK-GFCCVEGCSA-N -1 1 381.400 0.402 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001571171828 952798126 /nfs/dbraw/zinc/79/81/26/952798126.db2.gz XPVAHKIJVCQBJK-GFCCVEGCSA-N -1 1 381.400 0.402 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cncc(F)c1 ZINC001571171898 952799030 /nfs/dbraw/zinc/79/90/30/952799030.db2.gz ZCENSBILCVZOEC-XYYAHUGASA-N -1 1 381.375 0.303 20 0 GCADMM O=C(c1ncccc1F)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571171902 952799120 /nfs/dbraw/zinc/79/91/20/952799120.db2.gz ZGQMKWITQMWLAK-PHIMTYICSA-N -1 1 381.375 0.684 20 0 GCADMM O=C(c1ncccc1F)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571171902 952799122 /nfs/dbraw/zinc/79/91/22/952799122.db2.gz ZGQMKWITQMWLAK-PHIMTYICSA-N -1 1 381.375 0.684 20 0 GCADMM COC(=O)[C@@H]1O[C@@H](C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)C[C@H]1C ZINC001571172277 952804428 /nfs/dbraw/zinc/80/44/28/952804428.db2.gz RTODKMYYKPHRCO-TWPQKTAQSA-N -1 1 381.339 0.728 20 0 GCADMM COC(=O)[C@@H]1O[C@@H](C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)C[C@H]1C ZINC001571172277 952804435 /nfs/dbraw/zinc/80/44/35/952804435.db2.gz RTODKMYYKPHRCO-TWPQKTAQSA-N -1 1 381.339 0.728 20 0 GCADMM O=C(c1cn[nH]n1)N1CCC[C@@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571172812 952808323 /nfs/dbraw/zinc/80/83/23/952808323.db2.gz YFHUKUIPFRDIOG-ZCFIWIBFSA-N -1 1 380.825 0.811 20 0 GCADMM O=C(c1cn[nH]n1)N1CCC[C@@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571172812 952808326 /nfs/dbraw/zinc/80/83/26/952808326.db2.gz YFHUKUIPFRDIOG-ZCFIWIBFSA-N -1 1 380.825 0.811 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CN(C(=O)c4cnco4)CC[C@H]32)n1 ZINC001571174590 952811283 /nfs/dbraw/zinc/81/12/83/952811283.db2.gz BEFCUJWGQUDHCP-WCQYABFASA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CN(C(=O)c4cnco4)CC[C@H]32)n1 ZINC001571174590 952811292 /nfs/dbraw/zinc/81/12/92/952811292.db2.gz BEFCUJWGQUDHCP-WCQYABFASA-N -1 1 381.400 0.694 20 0 GCADMM CN(C(=O)c1ccn(C)c(=O)c1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571174618 952811584 /nfs/dbraw/zinc/81/15/84/952811584.db2.gz CBEVRQSXHYNAHO-UHFFFAOYSA-N -1 1 381.400 0.071 20 0 GCADMM CN(C(=O)c1ccn(C)c(=O)c1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571174618 952811587 /nfs/dbraw/zinc/81/15/87/952811587.db2.gz CBEVRQSXHYNAHO-UHFFFAOYSA-N -1 1 381.400 0.071 20 0 GCADMM COc1ncccc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571174610 952811997 /nfs/dbraw/zinc/81/19/97/952811997.db2.gz BZALOSQSROZJGL-ZWNOBZJWSA-N -1 1 381.400 0.633 20 0 GCADMM COc1ncccc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571174610 952812000 /nfs/dbraw/zinc/81/20/00/952812000.db2.gz BZALOSQSROZJGL-ZWNOBZJWSA-N -1 1 381.400 0.633 20 0 GCADMM COc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571174716 952813153 /nfs/dbraw/zinc/81/31/53/952813153.db2.gz GASNMADGXXLGSZ-GFCCVEGCSA-N -1 1 381.400 0.411 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)no1 ZINC001571174725 952813171 /nfs/dbraw/zinc/81/31/71/952813171.db2.gz GKNUCXDVMXHFIS-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)no1 ZINC001571174725 952813177 /nfs/dbraw/zinc/81/31/77/952813177.db2.gz GKNUCXDVMXHFIS-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174784 952813633 /nfs/dbraw/zinc/81/36/33/952813633.db2.gz IBPVDRABIWFNGB-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571174814 952814830 /nfs/dbraw/zinc/81/48/30/952814830.db2.gz IYRGYXYCNORDQY-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571174814 952814836 /nfs/dbraw/zinc/81/48/36/952814836.db2.gz IYRGYXYCNORDQY-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccon2)n1 ZINC001571174894 952815129 /nfs/dbraw/zinc/81/51/29/952815129.db2.gz LWPGGPMKVMDICW-KBPBESRZSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccon2)n1 ZINC001571174894 952815133 /nfs/dbraw/zinc/81/51/33/952815133.db2.gz LWPGGPMKVMDICW-KBPBESRZSA-N -1 1 381.400 0.837 20 0 GCADMM COc1cccnc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571174878 952815355 /nfs/dbraw/zinc/81/53/55/952815355.db2.gz LHKQMRLUHFUBQZ-NSHDSACASA-N -1 1 381.400 0.316 20 0 GCADMM COc1cccnc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571174878 952815358 /nfs/dbraw/zinc/81/53/58/952815358.db2.gz LHKQMRLUHFUBQZ-NSHDSACASA-N -1 1 381.400 0.316 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)n1 ZINC001571174843 952816008 /nfs/dbraw/zinc/81/60/08/952816008.db2.gz JXLWFMYWWZIXKX-WDEREUQCSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)n1 ZINC001571174843 952816017 /nfs/dbraw/zinc/81/60/17/952816017.db2.gz JXLWFMYWWZIXKX-WDEREUQCSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cc(C)cnc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174935 952816642 /nfs/dbraw/zinc/81/66/42/952816642.db2.gz NKUWOGAYXBUKSE-LLVKDONJSA-N -1 1 381.400 0.117 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c(=O)[nH]1 ZINC001571175067 952816970 /nfs/dbraw/zinc/81/69/70/952816970.db2.gz OMVPFZLEDLKPLI-LLVKDONJSA-N -1 1 381.400 0.640 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c(=O)[nH]1 ZINC001571175067 952816976 /nfs/dbraw/zinc/81/69/76/952816976.db2.gz OMVPFZLEDLKPLI-LLVKDONJSA-N -1 1 381.400 0.640 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ncoc2C2CC2)C1 ZINC001571174914 952817127 /nfs/dbraw/zinc/81/71/27/952817127.db2.gz MRVWEQJSXCWJGP-NSHDSACASA-N -1 1 381.400 0.873 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ncoc2C2CC2)C1 ZINC001571174914 952817132 /nfs/dbraw/zinc/81/71/32/952817132.db2.gz MRVWEQJSXCWJGP-NSHDSACASA-N -1 1 381.400 0.873 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)no1 ZINC001571175117 952817740 /nfs/dbraw/zinc/81/77/40/952817740.db2.gz PSTLFANDSLTUBK-STQMWFEESA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)no1 ZINC001571175117 952817746 /nfs/dbraw/zinc/81/77/46/952817746.db2.gz PSTLFANDSLTUBK-STQMWFEESA-N -1 1 381.400 0.837 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571175093 952817755 /nfs/dbraw/zinc/81/77/55/952817755.db2.gz PDKXXZRBFQQZGA-ZYHUDNBSSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571175093 952817759 /nfs/dbraw/zinc/81/77/59/952817759.db2.gz PDKXXZRBFQQZGA-ZYHUDNBSSA-N -1 1 381.400 0.775 20 0 GCADMM Cc1ocnc1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571175368 952820634 /nfs/dbraw/zinc/82/06/34/952820634.db2.gz UKLRBHQNKZBKQK-CNDDSTCGSA-N -1 1 381.400 0.374 20 0 GCADMM Cc1ocnc1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571175368 952820642 /nfs/dbraw/zinc/82/06/42/952820642.db2.gz UKLRBHQNKZBKQK-CNDDSTCGSA-N -1 1 381.400 0.374 20 0 GCADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cnc(C2CC2)o1 ZINC001571175438 952822226 /nfs/dbraw/zinc/82/22/26/952822226.db2.gz CSVIBXULCHQFTA-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cnc(C2CC2)o1 ZINC001571175438 952822229 /nfs/dbraw/zinc/82/22/29/952822229.db2.gz CSVIBXULCHQFTA-NSHDSACASA-N -1 1 381.400 0.921 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571175577 952822408 /nfs/dbraw/zinc/82/24/08/952822408.db2.gz VLZUGUIYOBQZET-BXKDBHETSA-N -1 1 381.400 0.226 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571175577 952822410 /nfs/dbraw/zinc/82/24/10/952822410.db2.gz VLZUGUIYOBQZET-BXKDBHETSA-N -1 1 381.400 0.226 20 0 GCADMM O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1)c1ncccc1[O-] ZINC001571175677 952823668 /nfs/dbraw/zinc/82/36/68/952823668.db2.gz DZZMLDBQECMNAI-GHMZBOCLSA-N -1 1 381.400 0.768 20 0 GCADMM Cc1nc(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)co1 ZINC001571175669 952823726 /nfs/dbraw/zinc/82/37/26/952823726.db2.gz DQKDTSPTMLIOJO-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)c1cnco1 ZINC001571175897 952826410 /nfs/dbraw/zinc/82/64/10/952826410.db2.gz HGEGABDAEXEBHB-QJPTWQEYSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)c1cnco1 ZINC001571175897 952826415 /nfs/dbraw/zinc/82/64/15/952826415.db2.gz HGEGABDAEXEBHB-QJPTWQEYSA-N -1 1 381.400 0.680 20 0 GCADMM COc1ccnc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571175769 952826878 /nfs/dbraw/zinc/82/68/78/952826878.db2.gz ZBNQDGORFSVDDT-UHFFFAOYSA-N -1 1 381.400 0.681 20 0 GCADMM COc1ccnc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571175769 952826885 /nfs/dbraw/zinc/82/68/85/952826885.db2.gz ZBNQDGORFSVDDT-UHFFFAOYSA-N -1 1 381.400 0.681 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)c1cnco1 ZINC001571175896 952826998 /nfs/dbraw/zinc/82/69/98/952826998.db2.gz HGEGABDAEXEBHB-IJLUTSLNSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)c1cnco1 ZINC001571175896 952827004 /nfs/dbraw/zinc/82/70/04/952827004.db2.gz HGEGABDAEXEBHB-IJLUTSLNSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1cc[nH]c(=O)c1 ZINC001571175984 952828582 /nfs/dbraw/zinc/82/85/82/952828582.db2.gz KNOQJRLDAXZCPH-HAQNSBGRSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1cc[nH]c(=O)c1 ZINC001571175984 952828585 /nfs/dbraw/zinc/82/85/85/952828585.db2.gz KNOQJRLDAXZCPH-HAQNSBGRSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(COc1cccnc1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571176502 952832353 /nfs/dbraw/zinc/83/23/53/952832353.db2.gz SAXZJQZHKCMVHW-GFCCVEGCSA-N -1 1 381.400 0.534 20 0 GCADMM O=C(COc1cccnc1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571176502 952832356 /nfs/dbraw/zinc/83/23/56/952832356.db2.gz SAXZJQZHKCMVHW-GFCCVEGCSA-N -1 1 381.400 0.534 20 0 GCADMM O=C(COc1cccnc1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571176611 952832832 /nfs/dbraw/zinc/83/28/32/952832832.db2.gz VVAIDDKIKSHESQ-GFCCVEGCSA-N -1 1 381.400 0.534 20 0 GCADMM O=C(COc1cccnc1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571176611 952832836 /nfs/dbraw/zinc/83/28/36/952832836.db2.gz VVAIDDKIKSHESQ-GFCCVEGCSA-N -1 1 381.400 0.534 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571176603 952833653 /nfs/dbraw/zinc/83/36/53/952833653.db2.gz VRZHKDZTMGITES-QWHCGFSZSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571176603 952833657 /nfs/dbraw/zinc/83/36/57/952833657.db2.gz VRZHKDZTMGITES-QWHCGFSZSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cnoc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571176764 952834314 /nfs/dbraw/zinc/83/43/14/952834314.db2.gz XPYUKZJGXDIBNM-YVEFUNNKSA-N -1 1 381.400 0.885 20 0 GCADMM Cc1cnoc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571176764 952834316 /nfs/dbraw/zinc/83/43/16/952834316.db2.gz XPYUKZJGXDIBNM-YVEFUNNKSA-N -1 1 381.400 0.885 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ncoc1C1CC1 ZINC001571176680 952835141 /nfs/dbraw/zinc/83/51/41/952835141.db2.gz XDPWXAQLIWIVKU-HOMQSWHASA-N -1 1 381.400 0.565 20 0 GCADMM O=C(c1cc[nH]c(=O)c1)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178179 952835911 /nfs/dbraw/zinc/83/59/11/952835911.db2.gz AMMNUIKAQKPTJF-NSHDSACASA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1cc[nH]c(=O)c1)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178179 952835917 /nfs/dbraw/zinc/83/59/17/952835917.db2.gz AMMNUIKAQKPTJF-NSHDSACASA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1nc[nH]n1)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178162 952836492 /nfs/dbraw/zinc/83/64/92/952836492.db2.gz ADXCTGFIWSJOBU-QFYYESIMSA-N -1 1 381.404 0.129 20 0 GCADMM O=C(c1nc[nH]n1)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178162 952836497 /nfs/dbraw/zinc/83/64/97/952836497.db2.gz ADXCTGFIWSJOBU-QFYYESIMSA-N -1 1 381.404 0.129 20 0 GCADMM O=C(c1coc(C2CC2)n1)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571178171 952836521 /nfs/dbraw/zinc/83/65/21/952836521.db2.gz AILUHOBVRYZZFO-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1coc(C2CC2)n1)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571178171 952836531 /nfs/dbraw/zinc/83/65/31/952836531.db2.gz AILUHOBVRYZZFO-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178908 952849925 /nfs/dbraw/zinc/84/99/25/952849925.db2.gz XPXVWSRTLRMCEM-LLVKDONJSA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178908 952849931 /nfs/dbraw/zinc/84/99/31/952849931.db2.gz XPXVWSRTLRMCEM-LLVKDONJSA-N -1 1 381.400 0.722 20 0 GCADMM CCn1ccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)c1C ZINC001571184812 952897315 /nfs/dbraw/zinc/89/73/15/952897315.db2.gz DHNBOWZIICFJSF-WCQYABFASA-N -1 1 381.444 0.924 20 0 GCADMM CN(CC1CCN(C(=O)c2ccn(C)c2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571186344 952906794 /nfs/dbraw/zinc/90/67/94/952906794.db2.gz XBHYUMFLBUYGKH-UHFFFAOYSA-N -1 1 381.444 0.984 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1C ZINC001571187976 952911391 /nfs/dbraw/zinc/91/13/91/952911391.db2.gz DZQPPZKJRZCJRQ-DGCLKSJQSA-N -1 1 381.444 0.806 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1C ZINC001571187976 952911393 /nfs/dbraw/zinc/91/13/93/952911393.db2.gz DZQPPZKJRZCJRQ-DGCLKSJQSA-N -1 1 381.444 0.806 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)n1C ZINC001571188565 952917076 /nfs/dbraw/zinc/91/70/76/952917076.db2.gz LFKQFECHGNGPIH-CYBMUJFWSA-N -1 1 381.444 0.690 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571188842 952920938 /nfs/dbraw/zinc/92/09/38/952920938.db2.gz NXPMFUOGIRUKDX-UHFFFAOYSA-N -1 1 381.444 0.832 20 0 GCADMM COc1ncc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571193739 952951779 /nfs/dbraw/zinc/95/17/79/952951779.db2.gz AUKRCCSONSCOTH-KOLCDFICSA-N -1 1 382.388 0.028 20 0 GCADMM COc1ncc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571193739 952951781 /nfs/dbraw/zinc/95/17/81/952951781.db2.gz AUKRCCSONSCOTH-KOLCDFICSA-N -1 1 382.388 0.028 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)c3cnc[nH]c3=O)C2)n1 ZINC001571193734 952951851 /nfs/dbraw/zinc/95/18/51/952951851.db2.gz AQOWKAGWTBKBIS-MGCOHNPYSA-N -1 1 382.388 0.081 20 0 GCADMM COc1ncc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)cn1 ZINC001571193741 952952434 /nfs/dbraw/zinc/95/24/34/952952434.db2.gz AUKRCCSONSCOTH-ONGXEEELSA-N -1 1 382.388 0.028 20 0 GCADMM COc1ncc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)cn1 ZINC001571193741 952952436 /nfs/dbraw/zinc/95/24/36/952952436.db2.gz AUKRCCSONSCOTH-ONGXEEELSA-N -1 1 382.388 0.028 20 0 GCADMM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001571193962 952955491 /nfs/dbraw/zinc/95/54/91/952955491.db2.gz CAEFMZGAUNPCDV-UHFFFAOYSA-N -1 1 382.384 0.284 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccc(N(C)C)cc1C(N)=O ZINC001571194087 952957103 /nfs/dbraw/zinc/95/71/03/952957103.db2.gz FXNSXCZSZRMYLP-UHFFFAOYSA-N -1 1 382.384 0.693 20 0 GCADMM COc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571194038 952957236 /nfs/dbraw/zinc/95/72/36/952957236.db2.gz HMOBJANFSLGYCI-BXKDBHETSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571194038 952957243 /nfs/dbraw/zinc/95/72/43/952957243.db2.gz HMOBJANFSLGYCI-BXKDBHETSA-N -1 1 382.388 0.028 20 0 GCADMM O=C(N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1(C(F)(F)F)CCC1 ZINC001571194143 952958360 /nfs/dbraw/zinc/95/83/60/952958360.db2.gz HEOBBUXBXPDJIY-VIFPVBQESA-N -1 1 382.350 0.824 20 0 GCADMM COC(=O)c1ccc2c(c1)N(C(=O)[C@@H](C)n1cnc(-c3nn[n-]n3)n1)CCC2 ZINC001571194108 952958460 /nfs/dbraw/zinc/95/84/60/952958460.db2.gz GLLWHYSBNBJJTA-SNVBAGLBSA-N -1 1 382.384 0.785 20 0 GCADMM COc1cnc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)nc1 ZINC001571194150 952958502 /nfs/dbraw/zinc/95/85/02/952958502.db2.gz JCCRMTAZINJXTR-JTQLQIEISA-N -1 1 382.388 0.090 20 0 GCADMM COc1cnc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571194150 952958505 /nfs/dbraw/zinc/95/85/05/952958505.db2.gz JCCRMTAZINJXTR-JTQLQIEISA-N -1 1 382.388 0.090 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571194217 952959323 /nfs/dbraw/zinc/95/93/23/952959323.db2.gz JTQIUFAPKAKDED-GXSJLCMTSA-N -1 1 382.388 0.258 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571194217 952959324 /nfs/dbraw/zinc/95/93/24/952959324.db2.gz JTQIUFAPKAKDED-GXSJLCMTSA-N -1 1 382.388 0.258 20 0 GCADMM COc1ccc([C@H]2[C@@H](C(=O)Nc3n[nH]cc3-c3nnn[n-]3)CC(=O)N2C)cc1 ZINC001571194415 952962020 /nfs/dbraw/zinc/96/20/20/952962020.db2.gz LVAHVPSVXDKQEY-FZMZJTMJSA-N -1 1 382.384 0.757 20 0 GCADMM COc1ccc([C@H]2[C@@H](C(=O)Nc3n[nH]cc3-c3nn[n-]n3)CC(=O)N2C)cc1 ZINC001571194415 952962028 /nfs/dbraw/zinc/96/20/28/952962028.db2.gz LVAHVPSVXDKQEY-FZMZJTMJSA-N -1 1 382.384 0.757 20 0 GCADMM COc1ccc([C@@H]2[C@H](C(=O)Nc3n[nH]cc3-c3nnn[n-]3)CC(=O)N2C)cc1 ZINC001571194414 952962169 /nfs/dbraw/zinc/96/21/69/952962169.db2.gz LVAHVPSVXDKQEY-BXUZGUMPSA-N -1 1 382.384 0.757 20 0 GCADMM COc1ccc([C@@H]2[C@H](C(=O)Nc3n[nH]cc3-c3nn[n-]n3)CC(=O)N2C)cc1 ZINC001571194414 952962171 /nfs/dbraw/zinc/96/21/71/952962171.db2.gz LVAHVPSVXDKQEY-BXUZGUMPSA-N -1 1 382.384 0.757 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C1 ZINC001571194367 952962202 /nfs/dbraw/zinc/96/22/02/952962202.db2.gz MSWQCLVRLDNQQU-DCAQKATOSA-N -1 1 382.388 0.393 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C1 ZINC001571194367 952962204 /nfs/dbraw/zinc/96/22/04/952962204.db2.gz MSWQCLVRLDNQQU-DCAQKATOSA-N -1 1 382.388 0.393 20 0 GCADMM Cc1cc(=O)oc(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571194405 952962373 /nfs/dbraw/zinc/96/23/73/952962373.db2.gz LRYCLHTUDLBJMD-LLVKDONJSA-N -1 1 382.384 0.235 20 0 GCADMM Cc1cc(=O)oc(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571194405 952962377 /nfs/dbraw/zinc/96/23/77/952962377.db2.gz LRYCLHTUDLBJMD-LLVKDONJSA-N -1 1 382.384 0.235 20 0 GCADMM COc1ccc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)nn1 ZINC001571194811 952967996 /nfs/dbraw/zinc/96/79/96/952967996.db2.gz UBFSZCPKWWMUDI-UWVGGRQHSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ccc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)nn1 ZINC001571194811 952968002 /nfs/dbraw/zinc/96/80/02/952968002.db2.gz UBFSZCPKWWMUDI-UWVGGRQHSA-N -1 1 382.388 0.170 20 0 GCADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CN1C(=O)c1ncccc1[O-] ZINC001571194858 952970177 /nfs/dbraw/zinc/97/01/77/952970177.db2.gz TVVFAGWDAKEWTR-UWVGGRQHSA-N -1 1 382.384 0.328 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571194916 952970694 /nfs/dbraw/zinc/97/06/94/952970694.db2.gz UDAIMEZLYOSIJL-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571194916 952970698 /nfs/dbraw/zinc/97/06/98/952970698.db2.gz UDAIMEZLYOSIJL-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571194915 952971487 /nfs/dbraw/zinc/97/14/87/952971487.db2.gz UDAIMEZLYOSIJL-JTQLQIEISA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571194915 952971493 /nfs/dbraw/zinc/97/14/93/952971493.db2.gz UDAIMEZLYOSIJL-JTQLQIEISA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571194989 952972288 /nfs/dbraw/zinc/97/22/88/952972288.db2.gz WMLXFGAENAWWLO-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571194989 952972294 /nfs/dbraw/zinc/97/22/94/952972294.db2.gz WMLXFGAENAWWLO-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(F)(F)F ZINC001571195035 952972584 /nfs/dbraw/zinc/97/25/84/952972584.db2.gz WQPUSOICKWNFMX-LPEHRKFASA-N -1 1 382.350 0.750 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(F)(F)F ZINC001571195035 952972586 /nfs/dbraw/zinc/97/25/86/952972586.db2.gz WQPUSOICKWNFMX-LPEHRKFASA-N -1 1 382.350 0.750 20 0 GCADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1ccc2c(c1)CCO2 ZINC001571195127 952973761 /nfs/dbraw/zinc/97/37/61/952973761.db2.gz ZSZMBCPFRQXVMP-UHFFFAOYSA-N -1 1 382.384 0.614 20 0 GCADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1ccc2c(c1)CCO2 ZINC001571195127 952973766 /nfs/dbraw/zinc/97/37/66/952973766.db2.gz ZSZMBCPFRQXVMP-UHFFFAOYSA-N -1 1 382.384 0.614 20 0 GCADMM COc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)nc1 ZINC001571195159 952975136 /nfs/dbraw/zinc/97/51/36/952975136.db2.gz YMDXCOXXGXGGJY-KOLCDFICSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)nc1 ZINC001571195159 952975139 /nfs/dbraw/zinc/97/51/39/952975139.db2.gz YMDXCOXXGXGGJY-KOLCDFICSA-N -1 1 382.388 0.170 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571195186 952975629 /nfs/dbraw/zinc/97/56/29/952975629.db2.gz YYTYATVYNJUFLX-JTQLQIEISA-N -1 1 382.388 0.177 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571195186 952975632 /nfs/dbraw/zinc/97/56/32/952975632.db2.gz YYTYATVYNJUFLX-JTQLQIEISA-N -1 1 382.388 0.177 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2ccco2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571199916 953004877 /nfs/dbraw/zinc/00/48/77/953004877.db2.gz CRMQOGNLFBNNDP-GXTWGEPZSA-N -1 1 382.428 0.953 20 0 GCADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)NCc1noc2c1COCC2 ZINC001571201443 953017922 /nfs/dbraw/zinc/01/79/22/953017922.db2.gz PZCQWHPAPBQVNH-UHFFFAOYSA-N -1 1 382.427 0.609 20 0 GCADMM CCC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001571201926 953020973 /nfs/dbraw/zinc/02/09/73/953020973.db2.gz TWHFHKPUDLSSSB-UHFFFAOYSA-N -1 1 382.421 0.685 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn(C)c2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571204548 953030029 /nfs/dbraw/zinc/03/00/29/953030029.db2.gz ASPUCLWWAAFWDD-VXGBXAGGSA-N -1 1 382.432 0.022 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)[nH]n1 ZINC001571204609 953031735 /nfs/dbraw/zinc/03/17/35/953031735.db2.gz BMYUQNYWAIRHNQ-JQWIXIFHSA-N -1 1 382.432 0.730 20 0 GCADMM O=C(C1=COCCC1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571204677 953032797 /nfs/dbraw/zinc/03/27/97/953032797.db2.gz BRXKXCWHEOXNLV-OCCSQVGLSA-N -1 1 382.428 0.636 20 0 GCADMM O=C(C1=COCCC1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571204677 953032800 /nfs/dbraw/zinc/03/28/00/953032800.db2.gz BRXKXCWHEOXNLV-OCCSQVGLSA-N -1 1 382.428 0.636 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3nccn3CC)C2)n1 ZINC001571204887 953033236 /nfs/dbraw/zinc/03/32/36/953033236.db2.gz DVIZFCLEBJNXLM-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3nccn3CC)C2)n1 ZINC001571204887 953033237 /nfs/dbraw/zinc/03/32/37/953033237.db2.gz DVIZFCLEBJNXLM-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccn(C)n1 ZINC001571204915 953033295 /nfs/dbraw/zinc/03/32/95/953033295.db2.gz FRGHCKXWINAYQH-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001571204915 953033299 /nfs/dbraw/zinc/03/32/99/953033299.db2.gz FRGHCKXWINAYQH-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM CC(C)n1cnc(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571204879 953033691 /nfs/dbraw/zinc/03/36/91/953033691.db2.gz DPIQACVMEWAGTR-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)Cn1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001571205087 953034821 /nfs/dbraw/zinc/03/48/21/953034821.db2.gz GHUPDOYQXXKPNJ-UHFFFAOYSA-N -1 1 382.432 0.472 20 0 GCADMM CC(C)Cn1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001571205087 953034826 /nfs/dbraw/zinc/03/48/26/953034826.db2.gz GHUPDOYQXXKPNJ-UHFFFAOYSA-N -1 1 382.432 0.472 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205149 953036204 /nfs/dbraw/zinc/03/62/04/953036204.db2.gz GMOHFIUKCRZMMQ-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205149 953036207 /nfs/dbraw/zinc/03/62/07/953036207.db2.gz GMOHFIUKCRZMMQ-WCQYABFASA-N -1 1 382.432 0.743 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571205375 953036947 /nfs/dbraw/zinc/03/69/47/953036947.db2.gz IKZUWYSSKYJRSF-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571205219 953037314 /nfs/dbraw/zinc/03/73/14/953037314.db2.gz HZRMYOPEYCRQIL-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571205219 953037317 /nfs/dbraw/zinc/03/73/17/953037317.db2.gz HZRMYOPEYCRQIL-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001571205328 953037440 /nfs/dbraw/zinc/03/74/40/953037440.db2.gz HAGJLSSPCPAWTF-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001571205328 953037445 /nfs/dbraw/zinc/03/74/45/953037445.db2.gz HAGJLSSPCPAWTF-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571205387 953037810 /nfs/dbraw/zinc/03/78/10/953037810.db2.gz IUIRCDPYZNDNDP-GFCCVEGCSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571205387 953037813 /nfs/dbraw/zinc/03/78/13/953037813.db2.gz IUIRCDPYZNDNDP-GFCCVEGCSA-N -1 1 382.432 0.935 20 0 GCADMM CCc1c(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571205423 953037962 /nfs/dbraw/zinc/03/79/62/953037962.db2.gz HZVPIIJSCVKAGX-NSHDSACASA-N -1 1 382.432 0.351 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571205415 953037972 /nfs/dbraw/zinc/03/79/72/953037972.db2.gz JOWUNIOJRZHDEQ-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571205415 953037974 /nfs/dbraw/zinc/03/79/74/953037974.db2.gz JOWUNIOJRZHDEQ-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)c(C)n1 ZINC001571205497 953039016 /nfs/dbraw/zinc/03/90/16/953039016.db2.gz KHDMWOUDCGNBBK-HZMBPMFUSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)c(C)n1 ZINC001571205497 953039018 /nfs/dbraw/zinc/03/90/18/953039018.db2.gz KHDMWOUDCGNBBK-HZMBPMFUSA-N -1 1 382.432 0.754 20 0 GCADMM CCCc1n[nH]cc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205488 953039063 /nfs/dbraw/zinc/03/90/63/953039063.db2.gz JZNILLHJFODPIU-NSHDSACASA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001571205657 953040074 /nfs/dbraw/zinc/04/00/74/953040074.db2.gz MOEGBGWBRVCVJS-RYUDHWBXSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)c1cncn1C ZINC001571205605 953040095 /nfs/dbraw/zinc/04/00/95/953040095.db2.gz LOYVFLSYGJXZIR-DGCLKSJQSA-N -1 1 382.432 0.886 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)c1cncn1C ZINC001571205605 953040096 /nfs/dbraw/zinc/04/00/96/953040096.db2.gz LOYVFLSYGJXZIR-DGCLKSJQSA-N -1 1 382.432 0.886 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001571205655 953040104 /nfs/dbraw/zinc/04/01/04/953040104.db2.gz MOEGBGWBRVCVJS-NEPJUHHUSA-N -1 1 382.432 0.165 20 0 GCADMM CCCn1nccc1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571205674 953041514 /nfs/dbraw/zinc/04/15/14/953041514.db2.gz MVPDFPCHKPOVNJ-UHFFFAOYSA-N -1 1 382.432 0.662 20 0 GCADMM CCCn1nccc1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571205674 953041520 /nfs/dbraw/zinc/04/15/20/953041520.db2.gz MVPDFPCHKPOVNJ-UHFFFAOYSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1nccc1C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571205736 953041544 /nfs/dbraw/zinc/04/15/44/953041544.db2.gz ABZNHCHIOORPAA-GFCCVEGCSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1nccc1C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571205736 953041549 /nfs/dbraw/zinc/04/15/49/953041549.db2.gz ABZNHCHIOORPAA-GFCCVEGCSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)n1 ZINC001571205785 953042491 /nfs/dbraw/zinc/04/24/91/953042491.db2.gz ARUNDLHUQSXDMZ-WCQYABFASA-N -1 1 382.432 0.517 20 0 GCADMM CCn1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)n1 ZINC001571205785 953042499 /nfs/dbraw/zinc/04/24/99/953042499.db2.gz ARUNDLHUQSXDMZ-WCQYABFASA-N -1 1 382.432 0.517 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571205805 953042530 /nfs/dbraw/zinc/04/25/30/953042530.db2.gz MGLUKYAWQCXWFT-XYPYZODXSA-N -1 1 382.432 0.887 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205805 953042538 /nfs/dbraw/zinc/04/25/38/953042538.db2.gz MGLUKYAWQCXWFT-XYPYZODXSA-N -1 1 382.432 0.887 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205833 953043210 /nfs/dbraw/zinc/04/32/10/953043210.db2.gz BQOGBFGKOFNBCG-MFKMUULPSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205833 953043217 /nfs/dbraw/zinc/04/32/17/953043217.db2.gz BQOGBFGKOFNBCG-MFKMUULPSA-N -1 1 382.432 0.754 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)Cc2cncn2C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571205891 953043328 /nfs/dbraw/zinc/04/33/28/953043328.db2.gz NMZZLKUWTSZXTD-RYUDHWBXSA-N -1 1 382.432 0.106 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)c1C ZINC001571205837 953043716 /nfs/dbraw/zinc/04/37/16/953043716.db2.gz BRFGDYFZQJTSEU-UHFFFAOYSA-N -1 1 382.432 0.961 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)c1C ZINC001571205837 953043721 /nfs/dbraw/zinc/04/37/21/953043721.db2.gz BRFGDYFZQJTSEU-UHFFFAOYSA-N -1 1 382.432 0.961 20 0 GCADMM C[C@H]1C[C@H](NC(=O)Cc2cncn2C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571205890 953044091 /nfs/dbraw/zinc/04/40/91/953044091.db2.gz NMZZLKUWTSZXTD-NWDGAFQWSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571205966 953044647 /nfs/dbraw/zinc/04/46/47/953044647.db2.gz PDDAOBVDHHAOLH-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571205966 953044649 /nfs/dbraw/zinc/04/46/49/953044649.db2.gz PDDAOBVDHHAOLH-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)cn1 ZINC001571205928 953044665 /nfs/dbraw/zinc/04/46/65/953044665.db2.gz OMFCHQZSPNXHSS-VXGBXAGGSA-N -1 1 382.432 0.693 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)cn1 ZINC001571205928 953044667 /nfs/dbraw/zinc/04/46/67/953044667.db2.gz OMFCHQZSPNXHSS-VXGBXAGGSA-N -1 1 382.432 0.693 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571205939 953044675 /nfs/dbraw/zinc/04/46/75/953044675.db2.gz OSOUBAOUYLXZIP-ZDUSSCGKSA-N -1 1 382.432 0.662 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571205939 953044677 /nfs/dbraw/zinc/04/46/77/953044677.db2.gz OSOUBAOUYLXZIP-ZDUSSCGKSA-N -1 1 382.432 0.662 20 0 GCADMM CCCn1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571205938 953044762 /nfs/dbraw/zinc/04/47/62/953044762.db2.gz OSOUBAOUYLXZIP-CYBMUJFWSA-N -1 1 382.432 0.662 20 0 GCADMM CCCn1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571205938 953044765 /nfs/dbraw/zinc/04/47/65/953044765.db2.gz OSOUBAOUYLXZIP-CYBMUJFWSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2cnn(C)c2)cc(-c2nnn[n-]2)n1 ZINC001571205934 953044883 /nfs/dbraw/zinc/04/48/83/953044883.db2.gz OOZIVLPXSLPHKK-GFCCVEGCSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2cnn(C)c2)cc(-c2nn[n-]n2)n1 ZINC001571205934 953044890 /nfs/dbraw/zinc/04/48/90/953044890.db2.gz OOZIVLPXSLPHKK-GFCCVEGCSA-N -1 1 382.432 0.669 20 0 GCADMM C[C@H]1CN(C(=O)CCn2cccn2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571205973 953045026 /nfs/dbraw/zinc/04/50/26/953045026.db2.gz PIPNWMUWRGXDKG-QWHCGFSZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CN(C(=O)CCn2cccn2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571205973 953045031 /nfs/dbraw/zinc/04/50/31/953045031.db2.gz PIPNWMUWRGXDKG-QWHCGFSZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CN(C(=O)CCn2cccn2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571205971 953045171 /nfs/dbraw/zinc/04/51/71/953045171.db2.gz PIPNWMUWRGXDKG-CHWSQXEVSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CN(C(=O)CCn2cccn2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571205971 953045173 /nfs/dbraw/zinc/04/51/73/953045173.db2.gz PIPNWMUWRGXDKG-CHWSQXEVSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205988 953045360 /nfs/dbraw/zinc/04/53/60/953045360.db2.gz QEPCWDOWESCWRP-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571205950 953045382 /nfs/dbraw/zinc/04/53/82/953045382.db2.gz OWMVJFOZYFYDNK-YPMHNXCESA-N -1 1 382.432 0.139 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571205950 953045388 /nfs/dbraw/zinc/04/53/88/953045388.db2.gz OWMVJFOZYFYDNK-YPMHNXCESA-N -1 1 382.432 0.139 20 0 GCADMM Cc1c(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cnn1C ZINC001571206057 953046130 /nfs/dbraw/zinc/04/61/30/953046130.db2.gz CUWMKQMZBQBZAO-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1c(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cnn1C ZINC001571206057 953046132 /nfs/dbraw/zinc/04/61/32/953046132.db2.gz CUWMKQMZBQBZAO-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571206027 953046146 /nfs/dbraw/zinc/04/61/46/953046146.db2.gz QYHSVABTGPIHLR-QGZVFWFLSA-N -1 1 382.432 0.663 20 0 GCADMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571206027 953046148 /nfs/dbraw/zinc/04/61/48/953046148.db2.gz QYHSVABTGPIHLR-QGZVFWFLSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1ncc(C(=O)NC2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)n1C ZINC001571206102 953046944 /nfs/dbraw/zinc/04/69/44/953046944.db2.gz DDYYIZSVVHJABP-UHFFFAOYSA-N -1 1 382.432 0.406 20 0 GCADMM Cc1ncc(C(=O)NC2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)n1C ZINC001571206102 953046949 /nfs/dbraw/zinc/04/69/49/953046949.db2.gz DDYYIZSVVHJABP-UHFFFAOYSA-N -1 1 382.432 0.406 20 0 GCADMM CCCn1cc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571206098 953046973 /nfs/dbraw/zinc/04/69/73/953046973.db2.gz RUSRUCYEKRCIBG-BJHJDKERSA-N -1 1 382.432 0.884 20 0 GCADMM CCCn1cc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571206098 953046977 /nfs/dbraw/zinc/04/69/77/953046977.db2.gz RUSRUCYEKRCIBG-BJHJDKERSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](NC(=O)c1cnn(C)c1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571206124 953047156 /nfs/dbraw/zinc/04/71/56/953047156.db2.gz DLNYITHUZVQUJE-NSHDSACASA-N -1 1 382.432 0.425 20 0 GCADMM C[C@H](NC(=O)c1cnn(C)c1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571206124 953047158 /nfs/dbraw/zinc/04/71/58/953047158.db2.gz DLNYITHUZVQUJE-NSHDSACASA-N -1 1 382.432 0.425 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1ccnc1 ZINC001571206080 953047185 /nfs/dbraw/zinc/04/71/85/953047185.db2.gz ROBZCJBLPCJSQX-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1ccnc1 ZINC001571206080 953047187 /nfs/dbraw/zinc/04/71/87/953047187.db2.gz ROBZCJBLPCJSQX-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H](C)n3cccn3)[C@H]2C)n1 ZINC001571206130 953047362 /nfs/dbraw/zinc/04/73/62/953047362.db2.gz DNJQUQBAPFXKEE-AGIUHOORSA-N -1 1 382.432 0.506 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@H](C)n3cccn3)[C@H]2C)n1 ZINC001571206130 953047369 /nfs/dbraw/zinc/04/73/69/953047369.db2.gz DNJQUQBAPFXKEE-AGIUHOORSA-N -1 1 382.432 0.506 20 0 GCADMM CCn1nccc1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001571206188 953047737 /nfs/dbraw/zinc/04/77/37/953047737.db2.gz DTLGCCDLOAAFGX-CYBMUJFWSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1nccc1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571206188 953047740 /nfs/dbraw/zinc/04/77/40/953047740.db2.gz DTLGCCDLOAAFGX-CYBMUJFWSA-N -1 1 382.432 0.836 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001571206184 953048323 /nfs/dbraw/zinc/04/83/23/953048323.db2.gz SBXZSUZWXPGLIS-CMPLNLGQSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001571206184 953048325 /nfs/dbraw/zinc/04/83/25/953048325.db2.gz SBXZSUZWXPGLIS-CMPLNLGQSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571206273 953048693 /nfs/dbraw/zinc/04/86/93/953048693.db2.gz SSHYSUGMRRZYFS-LBPRGKRZSA-N -1 1 382.432 0.588 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571206273 953048698 /nfs/dbraw/zinc/04/86/98/953048698.db2.gz SSHYSUGMRRZYFS-LBPRGKRZSA-N -1 1 382.432 0.588 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571206358 953049882 /nfs/dbraw/zinc/04/98/82/953049882.db2.gz UGXOILQBBVZQOC-LLVKDONJSA-N -1 1 382.432 0.588 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571206358 953049885 /nfs/dbraw/zinc/04/98/85/953049885.db2.gz UGXOILQBBVZQOC-LLVKDONJSA-N -1 1 382.432 0.588 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)Cc3cnn(C)c3)C2)n1 ZINC001571206389 953050147 /nfs/dbraw/zinc/05/01/47/953050147.db2.gz GCGUSBYCHAHMII-ZDUSSCGKSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)Cc3cnn(C)c3)C2)n1 ZINC001571206389 953050149 /nfs/dbraw/zinc/05/01/49/953050149.db2.gz GCGUSBYCHAHMII-ZDUSSCGKSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571206402 953050948 /nfs/dbraw/zinc/05/09/48/953050948.db2.gz GKWCGAVTBSTXNS-ZYHUDNBSSA-N -1 1 382.432 0.437 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C)[nH]n1 ZINC001571206511 953051866 /nfs/dbraw/zinc/05/18/66/953051866.db2.gz VCQLHJJGRXGFRF-CMPLNLGQSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C)[nH]n1 ZINC001571206511 953051870 /nfs/dbraw/zinc/05/18/70/953051870.db2.gz VCQLHJJGRXGFRF-CMPLNLGQSA-N -1 1 382.432 0.730 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571206524 953051906 /nfs/dbraw/zinc/05/19/06/953051906.db2.gz VCTRXBNXRYMDKI-ZDUSSCGKSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571206524 953051909 /nfs/dbraw/zinc/05/19/09/953051909.db2.gz VCTRXBNXRYMDKI-ZDUSSCGKSA-N -1 1 382.432 0.690 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571206528 953052173 /nfs/dbraw/zinc/05/21/73/953052173.db2.gz HWKINNGURHBSEK-UHFFFAOYSA-N -1 1 382.432 0.677 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)n1 ZINC001571206483 953052300 /nfs/dbraw/zinc/05/23/00/953052300.db2.gz HFCRCDNYTHPILY-LBPRGKRZSA-N -1 1 382.432 0.581 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)n1 ZINC001571206483 953052303 /nfs/dbraw/zinc/05/23/03/953052303.db2.gz HFCRCDNYTHPILY-LBPRGKRZSA-N -1 1 382.432 0.581 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571206604 953052719 /nfs/dbraw/zinc/05/27/19/953052719.db2.gz IMKLEHKXOQBDTI-BXUZGUMPSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571206604 953052724 /nfs/dbraw/zinc/05/27/24/953052724.db2.gz IMKLEHKXOQBDTI-BXUZGUMPSA-N -1 1 382.432 0.282 20 0 GCADMM CCCn1nccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571206559 953052869 /nfs/dbraw/zinc/05/28/69/953052869.db2.gz VHHDPDSXMMRZCB-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCCn1nccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571206559 953052873 /nfs/dbraw/zinc/05/28/73/953052873.db2.gz VHHDPDSXMMRZCB-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571206675 953053652 /nfs/dbraw/zinc/05/36/52/953053652.db2.gz WBNIXADYHPNEKW-PWSUYJOCSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206653 953054040 /nfs/dbraw/zinc/05/40/40/953054040.db2.gz VVXQYLIIOTWYTK-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206653 953054044 /nfs/dbraw/zinc/05/40/44/953054044.db2.gz VVXQYLIIOTWYTK-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206699 953054150 /nfs/dbraw/zinc/05/41/50/953054150.db2.gz JLNKWFIEGCEJJU-NWDGAFQWSA-N -1 1 382.432 0.306 20 0 GCADMM Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206688 953054209 /nfs/dbraw/zinc/05/42/09/953054209.db2.gz JDRUOMDHRGGJGL-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206688 953054211 /nfs/dbraw/zinc/05/42/11/953054211.db2.gz JDRUOMDHRGGJGL-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206837 953055884 /nfs/dbraw/zinc/05/58/84/953055884.db2.gz XSIFJGQPYIFBJE-VXGBXAGGSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206837 953055887 /nfs/dbraw/zinc/05/58/87/953055887.db2.gz XSIFJGQPYIFBJE-VXGBXAGGSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cncn2C)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571207030 953057883 /nfs/dbraw/zinc/05/78/83/953057883.db2.gz ZXZSTWSEQBRFDN-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cncn2C)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571207030 953057886 /nfs/dbraw/zinc/05/78/86/953057886.db2.gz ZXZSTWSEQBRFDN-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM CCc1nn(C)cc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207009 953058106 /nfs/dbraw/zinc/05/81/06/953058106.db2.gz ZSNSIAXZWDUKGC-UHFFFAOYSA-N -1 1 382.432 0.090 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)c3cn(C)cn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571207003 953058400 /nfs/dbraw/zinc/05/84/00/953058400.db2.gz ZNQYKGULYXJQKZ-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)c3cn(C)cn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571207003 953058402 /nfs/dbraw/zinc/05/84/02/953058402.db2.gz ZNQYKGULYXJQKZ-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571207035 953059396 /nfs/dbraw/zinc/05/93/96/953059396.db2.gz LPZVIOZIGUJVJR-LBPRGKRZSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571207035 953059397 /nfs/dbraw/zinc/05/93/97/953059397.db2.gz LPZVIOZIGUJVJR-LBPRGKRZSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1ncn(C)c1C(=O)NC[C@@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207132 953059829 /nfs/dbraw/zinc/05/98/29/953059829.db2.gz NMDDWYIKLFQEKR-HAQNSBGRSA-N -1 1 382.432 0.628 20 0 GCADMM Cc1ncn(C)c1C(=O)NC[C@@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207132 953059831 /nfs/dbraw/zinc/05/98/31/953059831.db2.gz NMDDWYIKLFQEKR-HAQNSBGRSA-N -1 1 382.432 0.628 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571207235 953060642 /nfs/dbraw/zinc/06/06/42/953060642.db2.gz OUHSBNZFIRMBSO-NWDGAFQWSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1ccnc1C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207249 953060791 /nfs/dbraw/zinc/06/07/91/953060791.db2.gz OZSIDJPOSJXZRA-LBPRGKRZSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1ccnc1C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207249 953060794 /nfs/dbraw/zinc/06/07/94/953060794.db2.gz OZSIDJPOSJXZRA-LBPRGKRZSA-N -1 1 382.432 0.837 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571207251 953061082 /nfs/dbraw/zinc/06/10/82/953061082.db2.gz PAUXUNTVCCEXEI-LBPRGKRZSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207251 953061086 /nfs/dbraw/zinc/06/10/86/953061086.db2.gz PAUXUNTVCCEXEI-LBPRGKRZSA-N -1 1 382.432 0.738 20 0 GCADMM CCn1nccc1C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571207259 953061439 /nfs/dbraw/zinc/06/14/39/953061439.db2.gz PDHGORUQWJBBFX-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1nccc1C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571207259 953061443 /nfs/dbraw/zinc/06/14/43/953061443.db2.gz PDHGORUQWJBBFX-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1c(C(=O)N[C@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571207313 953061647 /nfs/dbraw/zinc/06/16/47/953061647.db2.gz QIPVPHOWJXNOCF-PWSUYJOCSA-N -1 1 382.432 0.486 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207279 953061680 /nfs/dbraw/zinc/06/16/80/953061680.db2.gz PLGZCLNKZFKKDQ-TXEJJXNPSA-N -1 1 382.432 0.802 20 0 GCADMM CCn1nc(C)cc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207279 953061684 /nfs/dbraw/zinc/06/16/84/953061684.db2.gz PLGZCLNKZFKKDQ-TXEJJXNPSA-N -1 1 382.432 0.802 20 0 GCADMM Cc1c(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571207327 953061828 /nfs/dbraw/zinc/06/18/28/953061828.db2.gz QXXZVIBUSJZYDP-CMPLNLGQSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1c(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571207327 953061831 /nfs/dbraw/zinc/06/18/31/953061831.db2.gz QXXZVIBUSJZYDP-CMPLNLGQSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC[C@H](CNC(=O)c3cn(C)cn3)C2)n1 ZINC001571207324 953061883 /nfs/dbraw/zinc/06/18/83/953061883.db2.gz QVFPUWFNSGIGAI-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@H](CNC(=O)c3cn(C)cn3)C2)n1 ZINC001571207324 953061885 /nfs/dbraw/zinc/06/18/85/953061885.db2.gz QVFPUWFNSGIGAI-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1c(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571207328 953062019 /nfs/dbraw/zinc/06/20/19/953062019.db2.gz QXXZVIBUSJZYDP-JQWIXIFHSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1c(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571207328 953062022 /nfs/dbraw/zinc/06/20/22/953062022.db2.gz QXXZVIBUSJZYDP-JQWIXIFHSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@@H](NC(=O)c3cnn(C)c3)C2)n1 ZINC001571207512 953063296 /nfs/dbraw/zinc/06/32/96/953063296.db2.gz VHDDAZMKASMVNS-WCQYABFASA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@@H](NC(=O)c3cnn(C)c3)C2)n1 ZINC001571207512 953063298 /nfs/dbraw/zinc/06/32/98/953063298.db2.gz VHDDAZMKASMVNS-WCQYABFASA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)Cn3ccnc3)C2)n1 ZINC001571207451 953063388 /nfs/dbraw/zinc/06/33/88/953063388.db2.gz RURAMUVBHUCDLU-CYBMUJFWSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571207477 953063887 /nfs/dbraw/zinc/06/38/87/953063887.db2.gz SXMDQWNYTINVIS-GFCCVEGCSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571207477 953063888 /nfs/dbraw/zinc/06/38/88/953063888.db2.gz SXMDQWNYTINVIS-GFCCVEGCSA-N -1 1 382.432 0.723 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571207437 953064005 /nfs/dbraw/zinc/06/40/05/953064005.db2.gz RPDJDOXNAHMYPQ-NWDGAFQWSA-N -1 1 382.432 0.258 20 0 GCADMM CCn1nc(C)cc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571207547 953064189 /nfs/dbraw/zinc/06/41/89/953064189.db2.gz WAXOBJWXDQMCMK-UHFFFAOYSA-N -1 1 382.432 0.802 20 0 GCADMM CCn1nc(C)cc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571207547 953064193 /nfs/dbraw/zinc/06/41/93/953064193.db2.gz WAXOBJWXDQMCMK-UHFFFAOYSA-N -1 1 382.432 0.802 20 0 GCADMM CCn1nccc1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571207533 953064675 /nfs/dbraw/zinc/06/46/75/953064675.db2.gz VVNWBGYKBHGAGY-UHFFFAOYSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1nccc1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571207533 953064679 /nfs/dbraw/zinc/06/46/79/953064679.db2.gz VVNWBGYKBHGAGY-UHFFFAOYSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1cc(CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571207545 953064709 /nfs/dbraw/zinc/06/47/09/953064709.db2.gz WAUJBYKFCWOLEV-CYBMUJFWSA-N -1 1 382.432 0.201 20 0 GCADMM CCn1cc(CC(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571207545 953064711 /nfs/dbraw/zinc/06/47/11/953064711.db2.gz WAUJBYKFCWOLEV-CYBMUJFWSA-N -1 1 382.432 0.201 20 0 GCADMM CCn1cc(CC(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571207546 953064792 /nfs/dbraw/zinc/06/47/92/953064792.db2.gz WAUJBYKFCWOLEV-ZDUSSCGKSA-N -1 1 382.432 0.201 20 0 GCADMM CCn1cc(CC(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571207546 953064794 /nfs/dbraw/zinc/06/47/94/953064794.db2.gz WAUJBYKFCWOLEV-ZDUSSCGKSA-N -1 1 382.432 0.201 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)CCc2ccn(C)n2)C1 ZINC001571207596 953065120 /nfs/dbraw/zinc/06/51/20/953065120.db2.gz XOEIBWQTLBPMCM-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)CCc2ccn(C)n2)C1 ZINC001571207596 953065123 /nfs/dbraw/zinc/06/51/23/953065123.db2.gz XOEIBWQTLBPMCM-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571207631 953065327 /nfs/dbraw/zinc/06/53/27/953065327.db2.gz YJKFOZUBUGQCOF-PWSUYJOCSA-N -1 1 382.432 0.722 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cn(C)cn2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571207663 953065379 /nfs/dbraw/zinc/06/53/79/953065379.db2.gz ZKJPBNSGHSYGPW-GFCCVEGCSA-N -1 1 382.432 0.379 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cn(C)cn2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571207663 953065383 /nfs/dbraw/zinc/06/53/83/953065383.db2.gz ZKJPBNSGHSYGPW-GFCCVEGCSA-N -1 1 382.432 0.379 20 0 GCADMM CCn1nc(C)c(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207606 953065419 /nfs/dbraw/zinc/06/54/19/953065419.db2.gz XUOZBLILNTWMGZ-GFCCVEGCSA-N -1 1 382.432 0.499 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571207612 953065572 /nfs/dbraw/zinc/06/55/72/953065572.db2.gz XXIWDARPMQMXOJ-CYBMUJFWSA-N -1 1 382.432 0.518 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001571207612 953065575 /nfs/dbraw/zinc/06/55/75/953065575.db2.gz XXIWDARPMQMXOJ-CYBMUJFWSA-N -1 1 382.432 0.518 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571207664 953065584 /nfs/dbraw/zinc/06/55/84/953065584.db2.gz ZKJPBNSGHSYGPW-LBPRGKRZSA-N -1 1 382.432 0.379 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571207664 953065587 /nfs/dbraw/zinc/06/55/87/953065587.db2.gz ZKJPBNSGHSYGPW-LBPRGKRZSA-N -1 1 382.432 0.379 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001571207677 953065968 /nfs/dbraw/zinc/06/59/68/953065968.db2.gz ZOWQEKBLRJXNTC-YPMHNXCESA-N -1 1 382.432 0.660 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001571207677 953065973 /nfs/dbraw/zinc/06/59/73/953065973.db2.gz ZOWQEKBLRJXNTC-YPMHNXCESA-N -1 1 382.432 0.660 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571209738 953067253 /nfs/dbraw/zinc/06/72/53/953067253.db2.gz CKSHXXGZDMDROX-CYBMUJFWSA-N -1 1 382.432 0.806 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571209738 953067255 /nfs/dbraw/zinc/06/72/55/953067255.db2.gz CKSHXXGZDMDROX-CYBMUJFWSA-N -1 1 382.432 0.806 20 0 GCADMM O=C(Cn1ccnc1)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571210216 953071703 /nfs/dbraw/zinc/07/17/03/953071703.db2.gz ONGRSDDGPXWAJX-CHWSQXEVSA-N -1 1 382.432 0.640 20 0 GCADMM Cn1cncc1CC(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571211426 953076136 /nfs/dbraw/zinc/07/61/36/953076136.db2.gz ALPKSIZZABGQDH-LBPRGKRZSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cncc1CC(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571211426 953076140 /nfs/dbraw/zinc/07/61/40/953076140.db2.gz ALPKSIZZABGQDH-LBPRGKRZSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1cnn(C)c1C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571211462 953076475 /nfs/dbraw/zinc/07/64/75/953076475.db2.gz BEUCNRAMVRXMJB-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cnn(C)c1C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571211462 953076476 /nfs/dbraw/zinc/07/64/76/953076476.db2.gz BEUCNRAMVRXMJB-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)[nH]1 ZINC001571211442 953076528 /nfs/dbraw/zinc/07/65/28/953076528.db2.gz ASNHDJTWLHYQBD-ZDUSSCGKSA-N -1 1 382.432 0.723 20 0 GCADMM O=C(CCn1cccn1)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571210913 953076535 /nfs/dbraw/zinc/07/65/35/953076535.db2.gz ZYEGEHAKDWAVGZ-ZDUSSCGKSA-N -1 1 382.432 0.594 20 0 GCADMM O=C(CCn1cccn1)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571210913 953076538 /nfs/dbraw/zinc/07/65/38/953076538.db2.gz ZYEGEHAKDWAVGZ-ZDUSSCGKSA-N -1 1 382.432 0.594 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571211615 953078663 /nfs/dbraw/zinc/07/86/63/953078663.db2.gz CRBKHGUNKZMTHL-CYBMUJFWSA-N -1 1 382.432 0.147 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571211615 953078668 /nfs/dbraw/zinc/07/86/68/953078668.db2.gz CRBKHGUNKZMTHL-CYBMUJFWSA-N -1 1 382.432 0.147 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571212175 953084600 /nfs/dbraw/zinc/08/46/00/953084600.db2.gz KJWRRJCXFRBTDS-ZYHUDNBSSA-N -1 1 382.432 0.722 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571212175 953084606 /nfs/dbraw/zinc/08/46/06/953084606.db2.gz KJWRRJCXFRBTDS-ZYHUDNBSSA-N -1 1 382.432 0.722 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212203 953085448 /nfs/dbraw/zinc/08/54/48/953085448.db2.gz LICFXBCCPDVHDP-GFCCVEGCSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212203 953085450 /nfs/dbraw/zinc/08/54/50/953085450.db2.gz LICFXBCCPDVHDP-GFCCVEGCSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccc(CC(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571212152 953085478 /nfs/dbraw/zinc/08/54/78/953085478.db2.gz KBOUUASSLOEJMG-NEPJUHHUSA-N -1 1 382.432 0.330 20 0 GCADMM Cn1ccc(CC(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571212152 953085480 /nfs/dbraw/zinc/08/54/80/953085480.db2.gz KBOUUASSLOEJMG-NEPJUHHUSA-N -1 1 382.432 0.330 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571212173 953085516 /nfs/dbraw/zinc/08/55/16/953085516.db2.gz KJWRRJCXFRBTDS-JQWIXIFHSA-N -1 1 382.432 0.722 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571212173 953085518 /nfs/dbraw/zinc/08/55/18/953085518.db2.gz KJWRRJCXFRBTDS-JQWIXIFHSA-N -1 1 382.432 0.722 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212348 953086818 /nfs/dbraw/zinc/08/68/18/953086818.db2.gz MCXRMOYOAIXTMA-LBPRGKRZSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212348 953086823 /nfs/dbraw/zinc/08/68/23/953086823.db2.gz MCXRMOYOAIXTMA-LBPRGKRZSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571212738 953090368 /nfs/dbraw/zinc/09/03/68/953090368.db2.gz OQFZJXFXRNLTAV-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571212738 953090372 /nfs/dbraw/zinc/09/03/72/953090372.db2.gz OQFZJXFXRNLTAV-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cn1cc(CCC(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571212800 953090383 /nfs/dbraw/zinc/09/03/83/953090383.db2.gz PFBVJQNPMBYNKP-CYBMUJFWSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1cc(CCC(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571212800 953090387 /nfs/dbraw/zinc/09/03/87/953090387.db2.gz PFBVJQNPMBYNKP-CYBMUJFWSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1ccc(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571213083 953092535 /nfs/dbraw/zinc/09/25/35/953092535.db2.gz QOPXWQCMSMCLHT-GFCCVEGCSA-N -1 1 382.432 0.309 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571213072 953092574 /nfs/dbraw/zinc/09/25/74/953092574.db2.gz QKEYKXNNDXZLKU-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571213072 953092579 /nfs/dbraw/zinc/09/25/79/953092579.db2.gz QKEYKXNNDXZLKU-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cnn(CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571213195 953093579 /nfs/dbraw/zinc/09/35/79/953093579.db2.gz RTGVOGDDEUVTCT-ZDUSSCGKSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1cnn(CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571213195 953093583 /nfs/dbraw/zinc/09/35/83/953093583.db2.gz RTGVOGDDEUVTCT-ZDUSSCGKSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1ccnn1CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213461 953095256 /nfs/dbraw/zinc/09/52/56/953095256.db2.gz UIPJHNRIDDKQQM-OLZOCXBDSA-N -1 1 382.432 0.701 20 0 GCADMM Cc1ccnn1CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213461 953095260 /nfs/dbraw/zinc/09/52/60/953095260.db2.gz UIPJHNRIDDKQQM-OLZOCXBDSA-N -1 1 382.432 0.701 20 0 GCADMM Cn1cc(CC(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571213432 953095643 /nfs/dbraw/zinc/09/56/43/953095643.db2.gz SVEBCPBBILBZRW-CHWSQXEVSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1cc(CC(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571213432 953095645 /nfs/dbraw/zinc/09/56/45/953095645.db2.gz SVEBCPBBILBZRW-CHWSQXEVSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1cncc1C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571213479 953095759 /nfs/dbraw/zinc/09/57/59/953095759.db2.gz UVXXSOFIUVMTQY-GFCCVEGCSA-N -1 1 382.432 0.569 20 0 GCADMM Cn1cncc1C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571213479 953095765 /nfs/dbraw/zinc/09/57/65/953095765.db2.gz UVXXSOFIUVMTQY-GFCCVEGCSA-N -1 1 382.432 0.569 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)n(C)n1 ZINC001571213790 953097780 /nfs/dbraw/zinc/09/77/80/953097780.db2.gz VTGAVRPBLBWQDY-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)n(C)n1 ZINC001571213790 953097783 /nfs/dbraw/zinc/09/77/83/953097783.db2.gz VTGAVRPBLBWQDY-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571213850 953098593 /nfs/dbraw/zinc/09/85/93/953098593.db2.gz XRHNFAYLZXUUFG-TZMCWYRMSA-N -1 1 382.432 0.511 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571213850 953098603 /nfs/dbraw/zinc/09/86/03/953098603.db2.gz XRHNFAYLZXUUFG-TZMCWYRMSA-N -1 1 382.432 0.511 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)n(C)n1 ZINC001571214221 953100784 /nfs/dbraw/zinc/10/07/84/953100784.db2.gz ZLFKHHHTDJETQX-KRWDZBQOSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)n(C)n1 ZINC001571214221 953100787 /nfs/dbraw/zinc/10/07/87/953100787.db2.gz ZLFKHHHTDJETQX-KRWDZBQOSA-N -1 1 382.432 0.663 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571216684 953103454 /nfs/dbraw/zinc/10/34/54/953103454.db2.gz BMGPBDBKTSCBHM-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571216684 953103458 /nfs/dbraw/zinc/10/34/58/953103458.db2.gz BMGPBDBKTSCBHM-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM CN(C)C(=O)[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001571216923 953105408 /nfs/dbraw/zinc/10/54/08/953105408.db2.gz COCKNAOEPZKXRA-QMMMGPOBSA-N -1 1 383.334 0.831 20 0 GCADMM Cc1ccc2c(c1)[C@H](NC(=O)CCn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)CO2 ZINC001571218434 953115061 /nfs/dbraw/zinc/11/50/61/953115061.db2.gz NOGBGXFITSUPDS-GFCCVEGCSA-N -1 1 383.368 0.077 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2ccncc2F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571218717 953118292 /nfs/dbraw/zinc/11/82/92/953118292.db2.gz ZNDBGALEXQAZPO-WDEREUQCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2ccncc2F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571218717 953118293 /nfs/dbraw/zinc/11/82/93/953118293.db2.gz ZNDBGALEXQAZPO-WDEREUQCSA-N -1 1 383.391 0.978 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)Cc2ccc(F)cn2)C1 ZINC001571219031 953121446 /nfs/dbraw/zinc/12/14/46/953121446.db2.gz JVUMMGKKJNZKSJ-CYBMUJFWSA-N -1 1 383.391 0.471 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)Cc2ccc(F)cn2)C1 ZINC001571219031 953121450 /nfs/dbraw/zinc/12/14/50/953121450.db2.gz JVUMMGKKJNZKSJ-CYBMUJFWSA-N -1 1 383.391 0.471 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCOC(=O)Cc2ccccc2)c1 ZINC001571219110 953122195 /nfs/dbraw/zinc/12/21/95/953122195.db2.gz VMSXFEICCMOEBG-UHFFFAOYSA-N -1 1 383.364 0.601 20 0 GCADMM O=C(NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1F ZINC001571219276 953124076 /nfs/dbraw/zinc/12/40/76/953124076.db2.gz NIRPRXLGKVGZCG-LLVKDONJSA-N -1 1 383.391 0.837 20 0 GCADMM O=C(NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1F ZINC001571219276 953124078 /nfs/dbraw/zinc/12/40/78/953124078.db2.gz NIRPRXLGKVGZCG-LLVKDONJSA-N -1 1 383.391 0.837 20 0 GCADMM O=C(Cc1ncccc1F)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571219382 953124836 /nfs/dbraw/zinc/12/48/36/953124836.db2.gz OANVMKFOOWWZQO-LLVKDONJSA-N -1 1 383.391 0.519 20 0 GCADMM O=C(Cc1ncccc1F)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571219382 953124837 /nfs/dbraw/zinc/12/48/37/953124837.db2.gz OANVMKFOOWWZQO-LLVKDONJSA-N -1 1 383.391 0.519 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1coc(C(N)=O)c1 ZINC001571219331 953125064 /nfs/dbraw/zinc/12/50/64/953125064.db2.gz XOFQGWQHTIGXBL-PSASIEDQSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1coc(C(N)=O)c1 ZINC001571219331 953125067 /nfs/dbraw/zinc/12/50/67/953125067.db2.gz XOFQGWQHTIGXBL-PSASIEDQSA-N -1 1 383.372 0.064 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC001571219495 953126283 /nfs/dbraw/zinc/12/62/83/953126283.db2.gz PFAMATDEDRNTKA-LLVKDONJSA-N -1 1 383.391 0.932 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC001571219495 953126285 /nfs/dbraw/zinc/12/62/85/953126285.db2.gz PFAMATDEDRNTKA-LLVKDONJSA-N -1 1 383.391 0.932 20 0 GCADMM O=C(Cc1ncccc1F)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571219737 953126696 /nfs/dbraw/zinc/12/66/96/953126696.db2.gz RLHOLENPVRMFJP-UHFFFAOYSA-N -1 1 383.391 0.740 20 0 GCADMM O=C(Cc1ncccc1F)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571219737 953126697 /nfs/dbraw/zinc/12/66/97/953126697.db2.gz RLHOLENPVRMFJP-UHFFFAOYSA-N -1 1 383.391 0.740 20 0 GCADMM O=C(c1ccc(F)cn1)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571219978 953128066 /nfs/dbraw/zinc/12/80/66/953128066.db2.gz WAFGCDDNVMIKEJ-NSHDSACASA-N -1 1 383.391 0.577 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571219947 953128087 /nfs/dbraw/zinc/12/80/87/953128087.db2.gz UOPUJUKLQNUYMF-QMTHXVAHSA-N -1 1 383.391 0.692 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571219947 953128090 /nfs/dbraw/zinc/12/80/90/953128090.db2.gz UOPUJUKLQNUYMF-QMTHXVAHSA-N -1 1 383.391 0.692 20 0 GCADMM CCc1[nH]ccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001571222090 953130774 /nfs/dbraw/zinc/13/07/74/953130774.db2.gz BXIBXDVIZCQZLN-CHWSQXEVSA-N -1 1 383.416 0.181 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571222061 953130790 /nfs/dbraw/zinc/13/07/90/953130790.db2.gz BCBRGAXVJSUDOG-GHMZBOCLSA-N -1 1 383.416 0.782 20 0 GCADMM CCc1nc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571222160 953131252 /nfs/dbraw/zinc/13/12/52/953131252.db2.gz DIMFPOMLFAWCNA-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571222160 953131255 /nfs/dbraw/zinc/13/12/55/953131255.db2.gz DIMFPOMLFAWCNA-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(C)o1 ZINC001571222158 953131271 /nfs/dbraw/zinc/13/12/71/953131271.db2.gz DGXWQGSMBWGKPN-UHFFFAOYSA-N -1 1 383.416 0.868 20 0 GCADMM CCc1nc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(C)o1 ZINC001571222158 953131274 /nfs/dbraw/zinc/13/12/74/953131274.db2.gz DGXWQGSMBWGKPN-UHFFFAOYSA-N -1 1 383.416 0.868 20 0 GCADMM CCCc1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571222196 953132774 /nfs/dbraw/zinc/13/27/74/953132774.db2.gz DYUUWLVLRDEUJQ-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCCc1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571222196 953132775 /nfs/dbraw/zinc/13/27/75/953132775.db2.gz DYUUWLVLRDEUJQ-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)c3ocnc3C)C2)n1 ZINC001571222282 953133537 /nfs/dbraw/zinc/13/35/37/953133537.db2.gz FZUPQJVYLFQKFN-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)c3ocnc3C)C2)n1 ZINC001571222282 953133541 /nfs/dbraw/zinc/13/35/41/953133541.db2.gz FZUPQJVYLFQKFN-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222280 953133612 /nfs/dbraw/zinc/13/36/12/953133612.db2.gz FZKNRQZWRVLXTM-LLVKDONJSA-N -1 1 383.416 0.907 20 0 GCADMM CCc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571222412 953134071 /nfs/dbraw/zinc/13/40/71/953134071.db2.gz HYGHJCAZYHIMAW-MWLCHTKSSA-N -1 1 383.416 0.510 20 0 GCADMM CCc1nc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)c(C)o1 ZINC001571222413 953134231 /nfs/dbraw/zinc/13/42/31/953134231.db2.gz HYGHJCAZYHIMAW-ONGXEEELSA-N -1 1 383.416 0.510 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)c3nocc3C)CC2)n1 ZINC001571222618 953137064 /nfs/dbraw/zinc/13/70/64/953137064.db2.gz KBDQVTWVXBIJKY-UHFFFAOYSA-N -1 1 383.416 0.868 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)c3nocc3C)CC2)n1 ZINC001571222618 953137066 /nfs/dbraw/zinc/13/70/66/953137066.db2.gz KBDQVTWVXBIJKY-UHFFFAOYSA-N -1 1 383.416 0.868 20 0 GCADMM CCc1nc(C)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)o1 ZINC001571222726 953137929 /nfs/dbraw/zinc/13/79/29/953137929.db2.gz KGFHESVFCDWOTD-WDEREUQCSA-N -1 1 383.416 0.653 20 0 GCADMM CCc1nc(C(=O)N(CC)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571222888 953139372 /nfs/dbraw/zinc/13/93/72/953139372.db2.gz MUBWAGYDKKDWRQ-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N(CC)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571222888 953139374 /nfs/dbraw/zinc/13/93/74/953139374.db2.gz MUBWAGYDKKDWRQ-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)c2ccn(C)c2)CCO1 ZINC001571223119 953141240 /nfs/dbraw/zinc/14/12/40/953141240.db2.gz NPICNUKCOPWVCX-SMDDNHRTSA-N -1 1 383.416 0.337 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2ccn(C)c2)CCO1 ZINC001571223119 953141241 /nfs/dbraw/zinc/14/12/41/953141241.db2.gz NPICNUKCOPWVCX-SMDDNHRTSA-N -1 1 383.416 0.337 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)c2ccn(C)c2)CCO1 ZINC001571223118 953141480 /nfs/dbraw/zinc/14/14/80/953141480.db2.gz NPICNUKCOPWVCX-RISCZKNCSA-N -1 1 383.416 0.337 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2ccn(C)c2)CCO1 ZINC001571223118 953141484 /nfs/dbraw/zinc/14/14/84/953141484.db2.gz NPICNUKCOPWVCX-RISCZKNCSA-N -1 1 383.416 0.337 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571223548 953145032 /nfs/dbraw/zinc/14/50/32/953145032.db2.gz UWVWMMLKHRBYFX-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571223548 953145035 /nfs/dbraw/zinc/14/50/35/953145035.db2.gz UWVWMMLKHRBYFX-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1ocnc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571223570 953145453 /nfs/dbraw/zinc/14/54/53/953145453.db2.gz VTSUABNYAHXFQP-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ocnc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571223570 953145456 /nfs/dbraw/zinc/14/54/56/953145456.db2.gz VTSUABNYAHXFQP-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1noc(C)c1C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571223560 953145506 /nfs/dbraw/zinc/14/55/06/953145506.db2.gz VJEANAXQUGFKSG-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM CCc1noc(C)c1C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571223560 953145509 /nfs/dbraw/zinc/14/55/09/953145509.db2.gz VJEANAXQUGFKSG-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCc2ccon2)C1 ZINC001571223679 953146021 /nfs/dbraw/zinc/14/60/21/953146021.db2.gz SLOUHZVYXSBGFQ-KRWDZBQOSA-N -1 1 383.416 0.928 20 0 GCADMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCc2ccon2)C1 ZINC001571223679 953146028 /nfs/dbraw/zinc/14/60/28/953146028.db2.gz SLOUHZVYXSBGFQ-KRWDZBQOSA-N -1 1 383.416 0.928 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)co1 ZINC001571223691 953146514 /nfs/dbraw/zinc/14/65/14/953146514.db2.gz SQJVMMJOSNFICU-LBPRGKRZSA-N -1 1 383.416 0.852 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)co1 ZINC001571223691 953146515 /nfs/dbraw/zinc/14/65/15/953146515.db2.gz SQJVMMJOSNFICU-LBPRGKRZSA-N -1 1 383.416 0.852 20 0 GCADMM CC[C@@H]1CN(C(=O)c2coc(C)n2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571224002 953148191 /nfs/dbraw/zinc/14/81/91/953148191.db2.gz WXRUGSAHSUXHCT-NEPJUHHUSA-N -1 1 383.416 0.728 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(=O)c3coc(C)n3)C2)n1 ZINC001571224161 953149503 /nfs/dbraw/zinc/14/95/03/953149503.db2.gz ZUADNJKKDYUZSR-KRWDZBQOSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(=O)c3coc(C)n3)C2)n1 ZINC001571224161 953149506 /nfs/dbraw/zinc/14/95/06/953149506.db2.gz ZUADNJKKDYUZSR-KRWDZBQOSA-N -1 1 383.416 0.914 20 0 GCADMM Cc1cc(C(=O)N[C@H](C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)on1 ZINC001571224968 953152131 /nfs/dbraw/zinc/15/21/31/953152131.db2.gz HQXTXVSLMKSFBJ-LLVKDONJSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(C(=O)N[C@H](C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)on1 ZINC001571224968 953152134 /nfs/dbraw/zinc/15/21/34/953152134.db2.gz HQXTXVSLMKSFBJ-LLVKDONJSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)no1 ZINC001571225276 953152638 /nfs/dbraw/zinc/15/26/38/953152638.db2.gz JBDVEAVVAKVAKM-LBPRGKRZSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)no1 ZINC001571225276 953152641 /nfs/dbraw/zinc/15/26/41/953152641.db2.gz JBDVEAVVAKVAKM-LBPRGKRZSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)no1 ZINC001571225275 953152651 /nfs/dbraw/zinc/15/26/51/953152651.db2.gz JBDVEAVVAKVAKM-GFCCVEGCSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)no1 ZINC001571225275 953152656 /nfs/dbraw/zinc/15/26/56/953152656.db2.gz JBDVEAVVAKVAKM-GFCCVEGCSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(C(=O)N[C@H](C)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571225932 953154310 /nfs/dbraw/zinc/15/43/10/953154310.db2.gz OPNLALXLMUBQQP-NEPJUHHUSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(C(=O)N[C@H](C)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571225932 953154312 /nfs/dbraw/zinc/15/43/12/953154312.db2.gz OPNLALXLMUBQQP-NEPJUHHUSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1noc(C)c1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571225913 953154702 /nfs/dbraw/zinc/15/47/02/953154702.db2.gz OEWBKGIXXKKATK-SKDRFNHKSA-N -1 1 383.416 0.789 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571226648 953156888 /nfs/dbraw/zinc/15/68/88/953156888.db2.gz UNWPDOIRJWUNRI-LBPRGKRZSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571226648 953156889 /nfs/dbraw/zinc/15/68/89/953156889.db2.gz UNWPDOIRJWUNRI-LBPRGKRZSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1nc(C)c(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571226948 953157403 /nfs/dbraw/zinc/15/74/03/953157403.db2.gz XSBFMVVYCYXPSK-UHFFFAOYSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1nc(C)c(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571226948 953157406 /nfs/dbraw/zinc/15/74/06/953157406.db2.gz XSBFMVVYCYXPSK-UHFFFAOYSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1ncoc1C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571226924 953157540 /nfs/dbraw/zinc/15/75/40/953157540.db2.gz XBEMKLZSQVTYGY-SNVBAGLBSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ncc(CC(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571226981 953157619 /nfs/dbraw/zinc/15/76/19/953157619.db2.gz YGJFXTBPOWYYJQ-RYUDHWBXSA-N -1 1 383.416 0.457 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571227109 953158324 /nfs/dbraw/zinc/15/83/24/953158324.db2.gz YUZISEUGOZNZAQ-UHFFFAOYSA-N -1 1 383.416 0.543 20 0 GCADMM CCn1ncc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571227710 953159196 /nfs/dbraw/zinc/15/91/96/953159196.db2.gz AKFXZPZCUJWYGG-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM CCn1ncc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571227710 953159197 /nfs/dbraw/zinc/15/91/97/953159197.db2.gz AKFXZPZCUJWYGG-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571227776 953159593 /nfs/dbraw/zinc/15/95/93/953159593.db2.gz BVIVOMZMDKZKAN-CMPLNLGQSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571227776 953159594 /nfs/dbraw/zinc/15/95/94/953159594.db2.gz BVIVOMZMDKZKAN-CMPLNLGQSA-N -1 1 383.416 0.988 20 0 GCADMM CCn1nncc1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571227808 953160056 /nfs/dbraw/zinc/16/00/56/953160056.db2.gz CKOZZXSLCDGLMK-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCn1nncc1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571227808 953160057 /nfs/dbraw/zinc/16/00/57/953160057.db2.gz CKOZZXSLCDGLMK-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571227801 953160194 /nfs/dbraw/zinc/16/01/94/953160194.db2.gz CIMAXOUOGPMWRI-JTQLQIEISA-N -1 1 383.416 0.988 20 0 GCADMM CCn1ncc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571227884 953160677 /nfs/dbraw/zinc/16/06/77/953160677.db2.gz FFUJRVBYRVYVKK-LLVKDONJSA-N -1 1 383.420 0.375 20 0 GCADMM CCn1ncc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571227884 953160680 /nfs/dbraw/zinc/16/06/80/953160680.db2.gz FFUJRVBYRVYVKK-LLVKDONJSA-N -1 1 383.420 0.375 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnnn2CC)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571227982 953160787 /nfs/dbraw/zinc/16/07/87/953160787.db2.gz GBPWTSJEXHJDGN-CMPLNLGQSA-N -1 1 383.420 0.055 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnnn2CC)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571227982 953160790 /nfs/dbraw/zinc/16/07/90/953160790.db2.gz GBPWTSJEXHJDGN-CMPLNLGQSA-N -1 1 383.420 0.055 20 0 GCADMM CCC(=O)N1CCC[C@H](n2cc(CNc3ccc(-c4nnn[n-]4)nn3)nn2)C1 ZINC001571227968 953160832 /nfs/dbraw/zinc/16/08/32/953160832.db2.gz FKKMBXZZLCXZMR-LBPRGKRZSA-N -1 1 383.420 0.434 20 0 GCADMM CCC(=O)N1CCC[C@H](n2cc(CNc3ccc(-c4nn[n-]n4)nn3)nn2)C1 ZINC001571227968 953160835 /nfs/dbraw/zinc/16/08/35/953160835.db2.gz FKKMBXZZLCXZMR-LBPRGKRZSA-N -1 1 383.420 0.434 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571228050 953161372 /nfs/dbraw/zinc/16/13/72/953161372.db2.gz GYALKGCPZFYASO-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571228050 953161374 /nfs/dbraw/zinc/16/13/74/953161374.db2.gz GYALKGCPZFYASO-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)Cc1nnc[nH]1 ZINC001571228106 953161707 /nfs/dbraw/zinc/16/17/07/953161707.db2.gz INETUABDGLYNFZ-ZYHUDNBSSA-N -1 1 383.420 0.199 20 0 GCADMM CCN(C(=O)c1cnnn1CC)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228232 953163340 /nfs/dbraw/zinc/16/33/40/953163340.db2.gz LKSYOKQOZRODPS-NSHDSACASA-N -1 1 383.420 0.009 20 0 GCADMM CCN(C(=O)c1cnnn1CC)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228232 953163341 /nfs/dbraw/zinc/16/33/41/953163341.db2.gz LKSYOKQOZRODPS-NSHDSACASA-N -1 1 383.420 0.009 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228567 953165368 /nfs/dbraw/zinc/16/53/68/953165368.db2.gz SAHHCJANPLZWES-NSHDSACASA-N -1 1 383.420 0.009 20 0 GCADMM CCn1nncc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571228542 953165519 /nfs/dbraw/zinc/16/55/19/953165519.db2.gz REJOKMDULFIIDO-LLVKDONJSA-N -1 1 383.420 0.057 20 0 GCADMM CCc1nc(NC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571228664 953166099 /nfs/dbraw/zinc/16/60/99/953166099.db2.gz VGBJNMXEGXYVJS-NXEZZACHSA-N -1 1 383.420 0.157 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571228633 953166105 /nfs/dbraw/zinc/16/61/05/953166105.db2.gz UJTMLQCOIIHKGN-WDEREUQCSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571228633 953166106 /nfs/dbraw/zinc/16/61/06/953166106.db2.gz UJTMLQCOIIHKGN-WDEREUQCSA-N -1 1 383.420 0.279 20 0 GCADMM CCc1nc(NC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571228665 953166150 /nfs/dbraw/zinc/16/61/50/953166150.db2.gz VGBJNMXEGXYVJS-UWVGGRQHSA-N -1 1 383.420 0.157 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)nn1 ZINC001571229092 953168331 /nfs/dbraw/zinc/16/83/31/953168331.db2.gz ZYCRKKKMFKHXIR-GHMZBOCLSA-N -1 1 383.420 0.088 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)nn1 ZINC001571229092 953168334 /nfs/dbraw/zinc/16/83/34/953168334.db2.gz ZYCRKKKMFKHXIR-GHMZBOCLSA-N -1 1 383.420 0.088 20 0 GCADMM Cc1c(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)nnn1C ZINC001571229426 953170142 /nfs/dbraw/zinc/17/01/42/953170142.db2.gz DXQLHLLXDGBXEO-LLVKDONJSA-N -1 1 383.420 0.200 20 0 GCADMM Cc1c(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)nnn1C ZINC001571229426 953170144 /nfs/dbraw/zinc/17/01/44/953170144.db2.gz DXQLHLLXDGBXEO-LLVKDONJSA-N -1 1 383.420 0.200 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571230022 953173515 /nfs/dbraw/zinc/17/35/15/953173515.db2.gz QZFFQTHUHMUBQF-MWLCHTKSSA-N -1 1 383.420 0.436 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](NC(=O)c3cn(C)nn3)C2)n1 ZINC001571230190 953174560 /nfs/dbraw/zinc/17/45/60/953174560.db2.gz TYEVBNXMLYTLLZ-WDEREUQCSA-N -1 1 383.420 0.247 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](NC(=O)c3cn(C)nn3)C2)n1 ZINC001571230190 953174561 /nfs/dbraw/zinc/17/45/61/953174561.db2.gz TYEVBNXMLYTLLZ-WDEREUQCSA-N -1 1 383.420 0.247 20 0 GCADMM O=C(c1nccs1)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571230504 953177631 /nfs/dbraw/zinc/17/76/31/953177631.db2.gz FNWSVWMQCHUBGR-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnccn2)C3)c1-c1nn[n-]n1 ZINC001571230531 953178005 /nfs/dbraw/zinc/17/80/05/953178005.db2.gz FWMGPYRRQHMFMS-FOGDFJRCSA-N -1 1 383.441 0.961 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)c3cnn(C)n3)CC2(C)C)n1 ZINC001571230678 953179055 /nfs/dbraw/zinc/17/90/55/953179055.db2.gz ZLARHLAVQIGRPI-LBPRGKRZSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)c3cnn(C)n3)CC2(C)C)n1 ZINC001571230678 953179059 /nfs/dbraw/zinc/17/90/59/953179059.db2.gz ZLARHLAVQIGRPI-LBPRGKRZSA-N -1 1 383.420 0.056 20 0 GCADMM O=C(c1cncs1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571230715 953179842 /nfs/dbraw/zinc/17/98/42/953179842.db2.gz INLPOHBUIQBKOF-CMPLNLGQSA-N -1 1 383.441 0.854 20 0 GCADMM O=C(c1cncs1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571230715 953179844 /nfs/dbraw/zinc/17/98/44/953179844.db2.gz INLPOHBUIQBKOF-CMPLNLGQSA-N -1 1 383.441 0.854 20 0 GCADMM Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)cs1 ZINC001571230814 953180301 /nfs/dbraw/zinc/18/03/01/953180301.db2.gz KVPZDGVVWHPHPO-RYUDHWBXSA-N -1 1 383.441 0.454 20 0 GCADMM Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)cs1 ZINC001571230814 953180303 /nfs/dbraw/zinc/18/03/03/953180303.db2.gz KVPZDGVVWHPHPO-RYUDHWBXSA-N -1 1 383.441 0.454 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)ns1 ZINC001571230796 953180590 /nfs/dbraw/zinc/18/05/90/953180590.db2.gz KKZUCQIYXUJRHH-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)ns1 ZINC001571230796 953180595 /nfs/dbraw/zinc/18/05/95/953180595.db2.gz KKZUCQIYXUJRHH-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cscn2)n1 ZINC001571231129 953183337 /nfs/dbraw/zinc/18/33/37/953183337.db2.gz TUGLCQVUDXSSDE-UWVGGRQHSA-N -1 1 383.441 0.779 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cscn2)n1 ZINC001571231129 953183338 /nfs/dbraw/zinc/18/33/38/953183338.db2.gz TUGLCQVUDXSSDE-UWVGGRQHSA-N -1 1 383.441 0.779 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)c1cncs1 ZINC001571231152 953183518 /nfs/dbraw/zinc/18/35/18/953183518.db2.gz UFYBUUDFGHTIDX-GFCCVEGCSA-N -1 1 383.441 0.902 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)c1cncs1 ZINC001571231152 953183520 /nfs/dbraw/zinc/18/35/20/953183520.db2.gz UFYBUUDFGHTIDX-GFCCVEGCSA-N -1 1 383.441 0.902 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001571234777 953205366 /nfs/dbraw/zinc/20/53/66/953205366.db2.gz INARRFZGPQNCPV-YMTOWFKASA-N -1 1 384.366 0.928 20 0 GCADMM COc1cccc(F)c1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571234955 953206906 /nfs/dbraw/zinc/20/69/06/953206906.db2.gz NTRWQUTVBLTKOS-JTQLQIEISA-N -1 1 384.375 0.813 20 0 GCADMM COc1cccc(F)c1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571234955 953206908 /nfs/dbraw/zinc/20/69/08/953206908.db2.gz NTRWQUTVBLTKOS-JTQLQIEISA-N -1 1 384.375 0.813 20 0 GCADMM CCc1occc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1OC ZINC001571235415 953212262 /nfs/dbraw/zinc/21/22/62/953212262.db2.gz CVZNHPJDJILMRF-TZMCWYRMSA-N -1 1 384.400 0.446 20 0 GCADMM CCc1occc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001571235415 953212266 /nfs/dbraw/zinc/21/22/66/953212266.db2.gz CVZNHPJDJILMRF-TZMCWYRMSA-N -1 1 384.400 0.446 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccc(F)cc1 ZINC001571235460 953212982 /nfs/dbraw/zinc/21/29/82/953212982.db2.gz FVRVRIUXHZLTNC-OCCSQVGLSA-N -1 1 384.375 0.165 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccc(F)cc1 ZINC001571235460 953212983 /nfs/dbraw/zinc/21/29/83/953212983.db2.gz FVRVRIUXHZLTNC-OCCSQVGLSA-N -1 1 384.375 0.165 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccc(F)cc1 ZINC001571235459 953213169 /nfs/dbraw/zinc/21/31/69/953213169.db2.gz FVRVRIUXHZLTNC-JSGCOSHPSA-N -1 1 384.375 0.165 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccc(F)cc1 ZINC001571235459 953213170 /nfs/dbraw/zinc/21/31/70/953213170.db2.gz FVRVRIUXHZLTNC-JSGCOSHPSA-N -1 1 384.375 0.165 20 0 GCADMM CCc1occc1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571235641 953214251 /nfs/dbraw/zinc/21/42/51/953214251.db2.gz LWBHOXHJNQMJTN-NSHDSACASA-N -1 1 384.400 0.765 20 0 GCADMM CCc1occc1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571235641 953214253 /nfs/dbraw/zinc/21/42/53/953214253.db2.gz LWBHOXHJNQMJTN-NSHDSACASA-N -1 1 384.400 0.765 20 0 GCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001571236175 953216540 /nfs/dbraw/zinc/21/65/40/953216540.db2.gz TZIAZKNXZSQKDC-NSHDSACASA-N -1 1 384.375 0.759 20 0 GCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001571236175 953216542 /nfs/dbraw/zinc/21/65/42/953216542.db2.gz TZIAZKNXZSQKDC-NSHDSACASA-N -1 1 384.375 0.759 20 0 GCADMM CO[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1coc(C)c1 ZINC001571236400 953217193 /nfs/dbraw/zinc/21/71/93/953217193.db2.gz YTFHSAITDDIPMG-ZIAGYGMSSA-N -1 1 384.400 0.500 20 0 GCADMM CO[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1coc(C)c1 ZINC001571236400 953217195 /nfs/dbraw/zinc/21/71/95/953217195.db2.gz YTFHSAITDDIPMG-ZIAGYGMSSA-N -1 1 384.400 0.500 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571237024 953219610 /nfs/dbraw/zinc/21/96/10/953219610.db2.gz FKPWVZFOPHVZSH-JOYOIKCWSA-N -1 1 384.404 0.351 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571237024 953219612 /nfs/dbraw/zinc/21/96/12/953219612.db2.gz FKPWVZFOPHVZSH-JOYOIKCWSA-N -1 1 384.404 0.351 20 0 GCADMM Cc1ccoc1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001571237012 953219726 /nfs/dbraw/zinc/21/97/26/953219726.db2.gz FFOUIADLBQFMNP-GFCCVEGCSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1ccoc1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001571237012 953219728 /nfs/dbraw/zinc/21/97/28/953219728.db2.gz FFOUIADLBQFMNP-GFCCVEGCSA-N -1 1 384.400 0.583 20 0 GCADMM COc1ccc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571237319 953220719 /nfs/dbraw/zinc/22/07/19/953220719.db2.gz HHNCUZOXZDWHGS-NSHDSACASA-N -1 1 384.400 0.999 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237910 953223469 /nfs/dbraw/zinc/22/34/69/953223469.db2.gz NUCOAERLNZMFGE-AAEUAGOBSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237910 953223471 /nfs/dbraw/zinc/22/34/71/953223471.db2.gz NUCOAERLNZMFGE-AAEUAGOBSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571238018 953224656 /nfs/dbraw/zinc/22/46/56/953224656.db2.gz RFNBHJNDPVIXEG-KRWDZBQOSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571238018 953224658 /nfs/dbraw/zinc/22/46/58/953224658.db2.gz RFNBHJNDPVIXEG-KRWDZBQOSA-N -1 1 384.400 0.637 20 0 GCADMM CCOc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)[nH]n1 ZINC001571238037 953225133 /nfs/dbraw/zinc/22/51/33/953225133.db2.gz RSRIBIVAXXIMMH-BXKDBHETSA-N -1 1 384.404 0.033 20 0 GCADMM CCOc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)[nH]n1 ZINC001571238037 953225134 /nfs/dbraw/zinc/22/51/34/953225134.db2.gz RSRIBIVAXXIMMH-BXKDBHETSA-N -1 1 384.404 0.033 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(O)CCN(C(=O)c3ccco3)CC2)n1 ZINC001571238216 953226328 /nfs/dbraw/zinc/22/63/28/953226328.db2.gz WUDPNEZHDQKSAD-UHFFFAOYSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(O)CCN(C(=O)c3ccco3)CC2)n1 ZINC001571238216 953226334 /nfs/dbraw/zinc/22/63/34/953226334.db2.gz WUDPNEZHDQKSAD-UHFFFAOYSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1ccc([C@H](C)C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571238311 953227017 /nfs/dbraw/zinc/22/70/17/953227017.db2.gz ZFDKRNWALDOUDX-QJPTWQEYSA-N -1 1 384.400 0.028 20 0 GCADMM Cc1ccc([C@H](C)C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571238311 953227021 /nfs/dbraw/zinc/22/70/21/953227021.db2.gz ZFDKRNWALDOUDX-QJPTWQEYSA-N -1 1 384.400 0.028 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)[nH]n1 ZINC001571238242 953227453 /nfs/dbraw/zinc/22/74/53/953227453.db2.gz XWDDJFKHMMMFJC-VHSXEESVSA-N -1 1 384.404 0.494 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)[nH]n1 ZINC001571238242 953227455 /nfs/dbraw/zinc/22/74/55/953227455.db2.gz XWDDJFKHMMMFJC-VHSXEESVSA-N -1 1 384.404 0.494 20 0 GCADMM CC1(C)CC[C@H](CNC(=O)c2cnon2)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238335 953227943 /nfs/dbraw/zinc/22/79/43/953227943.db2.gz ZWVKGLPEYJOTAZ-SNVBAGLBSA-N -1 1 384.404 0.465 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1=COCCO1 ZINC001571238341 953228361 /nfs/dbraw/zinc/22/83/61/953228361.db2.gz ZYZWKRNTEGACMB-LBPRGKRZSA-N -1 1 384.400 0.020 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238429 953228820 /nfs/dbraw/zinc/22/88/20/953228820.db2.gz CFCGSSKYUCUBCN-JTQLQIEISA-N -1 1 384.404 0.358 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238429 953228821 /nfs/dbraw/zinc/22/88/21/953228821.db2.gz CFCGSSKYUCUBCN-JTQLQIEISA-N -1 1 384.404 0.358 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571238470 953228897 /nfs/dbraw/zinc/22/88/97/953228897.db2.gz DNLHEKIGUIFXSU-JTQLQIEISA-N -1 1 384.404 0.357 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571238470 953228899 /nfs/dbraw/zinc/22/88/99/953228899.db2.gz DNLHEKIGUIFXSU-JTQLQIEISA-N -1 1 384.404 0.357 20 0 GCADMM Cc1c[nH]c(C(=O)N2CCCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571238446 953228916 /nfs/dbraw/zinc/22/89/16/953228916.db2.gz COUKWSRITCMSAN-LLVKDONJSA-N -1 1 384.404 0.031 20 0 GCADMM Cc1c[nH]c(C(=O)N2CCCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571238446 953228919 /nfs/dbraw/zinc/22/89/19/953228919.db2.gz COUKWSRITCMSAN-LLVKDONJSA-N -1 1 384.404 0.031 20 0 GCADMM Cc1nonc1CC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238454 953228968 /nfs/dbraw/zinc/22/89/68/953228968.db2.gz DEAMPCGQOOCASV-GHMZBOCLSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nonc1CC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238454 953228971 /nfs/dbraw/zinc/22/89/71/953228971.db2.gz DEAMPCGQOOCASV-GHMZBOCLSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nonc1CC(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238455 953229219 /nfs/dbraw/zinc/22/92/19/953229219.db2.gz DEAMPCGQOOCASV-MNOVXSKESA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nonc1CC(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238455 953229220 /nfs/dbraw/zinc/22/92/20/953229220.db2.gz DEAMPCGQOOCASV-MNOVXSKESA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571238614 953230488 /nfs/dbraw/zinc/23/04/88/953230488.db2.gz IGPZOGSGLVUPSF-ONGXEEELSA-N -1 1 384.404 0.097 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571238614 953230491 /nfs/dbraw/zinc/23/04/91/953230491.db2.gz IGPZOGSGLVUPSF-ONGXEEELSA-N -1 1 384.404 0.097 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238630 953230946 /nfs/dbraw/zinc/23/09/46/953230946.db2.gz ISBKWUIMENBPHC-BXKDBHETSA-N -1 1 384.404 0.030 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)nn1C ZINC001571238578 953231022 /nfs/dbraw/zinc/23/10/22/953231022.db2.gz HHZNREZOEKCTLW-ZJUUUORDSA-N -1 1 384.404 0.114 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)nn1C ZINC001571238578 953231025 /nfs/dbraw/zinc/23/10/25/953231025.db2.gz HHZNREZOEKCTLW-ZJUUUORDSA-N -1 1 384.404 0.114 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571238743 953232398 /nfs/dbraw/zinc/23/23/98/953232398.db2.gz MCVCJSONNBLPNT-SNVBAGLBSA-N -1 1 384.404 0.101 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571238743 953232401 /nfs/dbraw/zinc/23/24/01/953232401.db2.gz MCVCJSONNBLPNT-SNVBAGLBSA-N -1 1 384.404 0.101 20 0 GCADMM Cn1cc(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]c1=O ZINC001571238893 953234177 /nfs/dbraw/zinc/23/41/77/953234177.db2.gz OGCIUYSPRMJGAK-VHSXEESVSA-N -1 1 384.404 0.106 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239027 953234762 /nfs/dbraw/zinc/23/47/62/953234762.db2.gz PFDKEOTWQFFRDV-WPRPVWTQSA-N -1 1 384.404 0.181 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239027 953234764 /nfs/dbraw/zinc/23/47/64/953234764.db2.gz PFDKEOTWQFFRDV-WPRPVWTQSA-N -1 1 384.404 0.181 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239026 953234800 /nfs/dbraw/zinc/23/48/00/953234800.db2.gz PFDKEOTWQFFRDV-WCBMZHEXSA-N -1 1 384.404 0.181 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571239026 953234802 /nfs/dbraw/zinc/23/48/02/953234802.db2.gz PFDKEOTWQFFRDV-WCBMZHEXSA-N -1 1 384.404 0.181 20 0 GCADMM Cn1c(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]c1=O ZINC001571239012 953234838 /nfs/dbraw/zinc/23/48/38/953234838.db2.gz PBJLSWPZLVKXMY-ZJUUUORDSA-N -1 1 384.404 0.106 20 0 GCADMM Cn1c(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]c1=O ZINC001571239012 953234839 /nfs/dbraw/zinc/23/48/39/953234839.db2.gz PBJLSWPZLVKXMY-ZJUUUORDSA-N -1 1 384.404 0.106 20 0 GCADMM COc1c(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)cnn1C ZINC001571239246 953237100 /nfs/dbraw/zinc/23/71/00/953237100.db2.gz RFSJJSCWGZLHML-VHSXEESVSA-N -1 1 384.404 0.114 20 0 GCADMM COc1c(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)cnn1C ZINC001571239246 953237103 /nfs/dbraw/zinc/23/71/03/953237103.db2.gz RFSJJSCWGZLHML-VHSXEESVSA-N -1 1 384.404 0.114 20 0 GCADMM Cn1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]c1=O ZINC001571239235 953237339 /nfs/dbraw/zinc/23/73/39/953237339.db2.gz RFGCZDCDDAQANW-VHSXEESVSA-N -1 1 384.404 0.106 20 0 GCADMM Cc1nonc1CC(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571239227 953237552 /nfs/dbraw/zinc/23/75/52/953237552.db2.gz RANVHAGTMLFWAL-UHFFFAOYSA-N -1 1 384.404 0.018 20 0 GCADMM Cc1nonc1CC(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571239227 953237553 /nfs/dbraw/zinc/23/75/53/953237553.db2.gz RANVHAGTMLFWAL-UHFFFAOYSA-N -1 1 384.404 0.018 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571239499 953239782 /nfs/dbraw/zinc/23/97/82/953239782.db2.gz VNEPSALDVPOGAU-NSHDSACASA-N -1 1 384.404 0.398 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571239499 953239785 /nfs/dbraw/zinc/23/97/85/953239785.db2.gz VNEPSALDVPOGAU-NSHDSACASA-N -1 1 384.404 0.398 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)c2c[nH]c(=O)n2C)n1 ZINC001571239811 953242826 /nfs/dbraw/zinc/24/28/26/953242826.db2.gz YMNMQMFXFFJOJW-SNVBAGLBSA-N -1 1 384.404 0.121 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)c2c[nH]c(=O)n2C)n1 ZINC001571239811 953242830 /nfs/dbraw/zinc/24/28/30/953242830.db2.gz YMNMQMFXFFJOJW-SNVBAGLBSA-N -1 1 384.404 0.121 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571239817 953243070 /nfs/dbraw/zinc/24/30/70/953243070.db2.gz YUBCZUAUHCYIAB-UHFFFAOYSA-N -1 1 384.404 0.384 20 0 GCADMM Cc1nnc(CC(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571239817 953243072 /nfs/dbraw/zinc/24/30/72/953243072.db2.gz YUBCZUAUHCYIAB-UHFFFAOYSA-N -1 1 384.404 0.384 20 0 GCADMM O=C(c1cnsn1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571241728 953248982 /nfs/dbraw/zinc/24/89/82/953248982.db2.gz JYVRANPQXQOHQB-NEPJUHHUSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnsn1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571241728 953248984 /nfs/dbraw/zinc/24/89/84/953248984.db2.gz JYVRANPQXQOHQB-NEPJUHHUSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2)c1cnns1 ZINC001571241852 953250228 /nfs/dbraw/zinc/25/02/28/953250228.db2.gz NHQRARKOIOKPOQ-VFZGTOFNSA-N -1 1 384.429 0.297 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2)c1cnns1 ZINC001571241852 953250229 /nfs/dbraw/zinc/25/02/29/953250229.db2.gz NHQRARKOIOKPOQ-VFZGTOFNSA-N -1 1 384.429 0.297 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001571242066 953252894 /nfs/dbraw/zinc/25/28/94/953252894.db2.gz ASOKMFIOHRQYFC-IUUKEHGRSA-N -1 1 384.444 0.414 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001571242066 953252897 /nfs/dbraw/zinc/25/28/97/953252897.db2.gz ASOKMFIOHRQYFC-IUUKEHGRSA-N -1 1 384.444 0.414 20 0 GCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571242151 953253497 /nfs/dbraw/zinc/25/34/97/953253497.db2.gz BYQKYHKTNFZSJH-NLRWUALESA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@@]3(C)C2)CCOC1 ZINC001571242382 953255995 /nfs/dbraw/zinc/25/59/95/953255995.db2.gz FDPCZAIZWBUCCN-PJSAGSTRSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@@]3(C)C2)CCOC1 ZINC001571242382 953255997 /nfs/dbraw/zinc/25/59/97/953255997.db2.gz FDPCZAIZWBUCCN-PJSAGSTRSA-N -1 1 384.444 0.368 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC[C@@H]2C)n1 ZINC001571242430 953256173 /nfs/dbraw/zinc/25/61/73/953256173.db2.gz GABBQTMNDXOKON-XOBFJNJYSA-N -1 1 384.444 0.331 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC[C@@H]2C)n1 ZINC001571242430 953256176 /nfs/dbraw/zinc/25/61/76/953256176.db2.gz GABBQTMNDXOKON-XOBFJNJYSA-N -1 1 384.444 0.331 20 0 GCADMM CC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571242451 953256193 /nfs/dbraw/zinc/25/61/93/953256193.db2.gz GQKJWXBWMGXPFP-LVYCXYHQSA-N -1 1 384.444 0.588 20 0 GCADMM CC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571242451 953256200 /nfs/dbraw/zinc/25/62/00/953256200.db2.gz GQKJWXBWMGXPFP-LVYCXYHQSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)[C@H]1CCCO1 ZINC001571242603 953257540 /nfs/dbraw/zinc/25/75/40/953257540.db2.gz KAUZARAKQXSRSU-IGQOVBAYSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)[C@H]1CCCO1 ZINC001571242603 953257545 /nfs/dbraw/zinc/25/75/45/953257545.db2.gz KAUZARAKQXSRSU-IGQOVBAYSA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001571242656 953258617 /nfs/dbraw/zinc/25/86/17/953258617.db2.gz LBCQSXSGUIAXEL-DFHBCGBQSA-N -1 1 384.444 0.366 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571242640 953258661 /nfs/dbraw/zinc/25/86/61/953258661.db2.gz KSMNAGSXVYUKRQ-DGAVXFQQSA-N -1 1 384.444 0.509 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nnn[n-]2)n1 ZINC001571242617 953258866 /nfs/dbraw/zinc/25/88/66/953258866.db2.gz KHUCGXKZEPFVLZ-PVTKRXDGSA-N -1 1 384.444 0.372 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nn[n-]n2)n1 ZINC001571242617 953258869 /nfs/dbraw/zinc/25/88/69/953258869.db2.gz KHUCGXKZEPFVLZ-PVTKRXDGSA-N -1 1 384.444 0.372 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCO2)n1 ZINC001571242698 953259468 /nfs/dbraw/zinc/25/94/68/953259468.db2.gz LXXMVIYSAQHAPV-IPYPFGDCSA-N -1 1 384.444 0.714 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCO2)n1 ZINC001571242698 953259469 /nfs/dbraw/zinc/25/94/69/953259469.db2.gz LXXMVIYSAQHAPV-IPYPFGDCSA-N -1 1 384.444 0.714 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C3CC4(CC4)C3)[C@H](O)C2)n1 ZINC001571242783 953259863 /nfs/dbraw/zinc/25/98/63/953259863.db2.gz NVSIHUFHNQVKLZ-TZMCWYRMSA-N -1 1 384.444 0.211 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C3CC4(CC4)C3)[C@H](O)C2)n1 ZINC001571242783 953259868 /nfs/dbraw/zinc/25/98/68/953259868.db2.gz NVSIHUFHNQVKLZ-TZMCWYRMSA-N -1 1 384.444 0.211 20 0 GCADMM C[C@H]1C[C@@H]1C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001571242818 953260221 /nfs/dbraw/zinc/26/02/21/953260221.db2.gz OUPVUVIWMHNLBB-STQMWFEESA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1C[C@@H]1C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001571242818 953260223 /nfs/dbraw/zinc/26/02/23/953260223.db2.gz OUPVUVIWMHNLBB-STQMWFEESA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001571242815 953260229 /nfs/dbraw/zinc/26/02/29/953260229.db2.gz OUPVUVIWMHNLBB-CHWSQXEVSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001571242815 953260231 /nfs/dbraw/zinc/26/02/31/953260231.db2.gz OUPVUVIWMHNLBB-CHWSQXEVSA-N -1 1 384.444 0.511 20 0 GCADMM CN(C(=O)[C@@H]1CC12CCOCC2)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571242965 953262044 /nfs/dbraw/zinc/26/20/44/953262044.db2.gz SBMDANKGKICQBD-OLZOCXBDSA-N -1 1 384.444 0.511 20 0 GCADMM CN(C(=O)[C@@H]1CC12CCOCC2)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571242965 953262046 /nfs/dbraw/zinc/26/20/46/953262046.db2.gz SBMDANKGKICQBD-OLZOCXBDSA-N -1 1 384.444 0.511 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571243072 953262749 /nfs/dbraw/zinc/26/27/49/953262749.db2.gz VCTPBBWIPYXBGA-XFMPKHEZSA-N -1 1 384.444 0.651 20 0 GCADMM CCO[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571243072 953262751 /nfs/dbraw/zinc/26/27/51/953262751.db2.gz VCTPBBWIPYXBGA-XFMPKHEZSA-N -1 1 384.444 0.651 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571243024 953262806 /nfs/dbraw/zinc/26/28/06/953262806.db2.gz UGNXMILBUHWJBZ-JLNYLFASSA-N -1 1 384.444 0.651 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571243024 953262807 /nfs/dbraw/zinc/26/28/07/953262807.db2.gz UGNXMILBUHWJBZ-JLNYLFASSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571243170 953263519 /nfs/dbraw/zinc/26/35/19/953263519.db2.gz XYEPUXPFCGDEBU-NMQNIBJMSA-N -1 1 384.444 0.731 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571243170 953263521 /nfs/dbraw/zinc/26/35/21/953263521.db2.gz XYEPUXPFCGDEBU-NMQNIBJMSA-N -1 1 384.444 0.731 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001571243184 953263999 /nfs/dbraw/zinc/26/39/99/953263999.db2.gz YFHZXBSYSCGRSI-RSUWNVLCSA-N -1 1 384.444 0.509 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001571243184 953264000 /nfs/dbraw/zinc/26/40/00/953264000.db2.gz YFHZXBSYSCGRSI-RSUWNVLCSA-N -1 1 384.444 0.509 20 0 GCADMM CO[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001571243202 953264019 /nfs/dbraw/zinc/26/40/19/953264019.db2.gz YPEFAZLNUHESCW-VGBQHSPPSA-N -1 1 384.444 0.413 20 0 GCADMM CO[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001571243202 953264022 /nfs/dbraw/zinc/26/40/22/953264022.db2.gz YPEFAZLNUHESCW-VGBQHSPPSA-N -1 1 384.444 0.413 20 0 GCADMM CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001571243200 953264075 /nfs/dbraw/zinc/26/40/75/953264075.db2.gz YPEFAZLNUHESCW-IPNGBCKKSA-N -1 1 384.444 0.413 20 0 GCADMM CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001571243200 953264078 /nfs/dbraw/zinc/26/40/78/953264078.db2.gz YPEFAZLNUHESCW-IPNGBCKKSA-N -1 1 384.444 0.413 20 0 GCADMM Cc1ccc(CC(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245350 953273289 /nfs/dbraw/zinc/27/32/89/953273289.db2.gz RXMXTILHGDIMFS-UHFFFAOYSA-N -1 1 384.469 0.998 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571247540 953283451 /nfs/dbraw/zinc/28/34/51/953283451.db2.gz AKEJOZKAFAGKQY-HZSPNIEDSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571247540 953283453 /nfs/dbraw/zinc/28/34/53/953283453.db2.gz AKEJOZKAFAGKQY-HZSPNIEDSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@@H]1CCOC1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571247669 953284041 /nfs/dbraw/zinc/28/40/41/953284041.db2.gz BHMFXWBRHMGXFQ-FZKQIMNGSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1CCOC1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571247669 953284045 /nfs/dbraw/zinc/28/40/45/953284045.db2.gz BHMFXWBRHMGXFQ-FZKQIMNGSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1CCOC1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571247671 953284064 /nfs/dbraw/zinc/28/40/64/953284064.db2.gz BHMFXWBRHMGXFQ-SCLBCKFNSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1CCOC1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571247671 953284067 /nfs/dbraw/zinc/28/40/67/953284067.db2.gz BHMFXWBRHMGXFQ-SCLBCKFNSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1CC12CCOCC2)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571247713 953285390 /nfs/dbraw/zinc/28/53/90/953285390.db2.gz CCESVDQSHUUOSV-CYBMUJFWSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1CC12CCOCC2)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571247714 953285692 /nfs/dbraw/zinc/28/56/92/953285692.db2.gz CCESVDQSHUUOSV-ZDUSSCGKSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1=CCOCC1 ZINC001571248788 953297337 /nfs/dbraw/zinc/29/73/37/953297337.db2.gz IIJGCBSJLPBUPA-ZIAGYGMSSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571248811 953297911 /nfs/dbraw/zinc/29/79/11/953297911.db2.gz JBQMTFBBQNFQJE-SYQHCUMBSA-N -1 1 384.444 0.875 20 0 GCADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571248811 953297915 /nfs/dbraw/zinc/29/79/15/953297915.db2.gz JBQMTFBBQNFQJE-SYQHCUMBSA-N -1 1 384.444 0.875 20 0 GCADMM O=C(C[C@H]1CCOC1)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571249300 953303747 /nfs/dbraw/zinc/30/37/47/953303747.db2.gz NUXSTMNSMCWBDV-VBHSOAQHSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C[C@H]1CCOC1)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571249300 953303750 /nfs/dbraw/zinc/30/37/50/953303750.db2.gz NUXSTMNSMCWBDV-VBHSOAQHSA-N -1 1 384.444 0.558 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)n1 ZINC001571249387 953304589 /nfs/dbraw/zinc/30/45/89/953304589.db2.gz PDQZSCLWYLQDSK-CHWSQXEVSA-N -1 1 384.444 0.795 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)n1 ZINC001571249387 953304594 /nfs/dbraw/zinc/30/45/94/953304594.db2.gz PDQZSCLWYLQDSK-CHWSQXEVSA-N -1 1 384.444 0.795 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571250302 953309921 /nfs/dbraw/zinc/30/99/21/953309921.db2.gz QMGOKHUEHWZBOB-MCIONIFRSA-N -1 1 384.444 0.653 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571250315 953310046 /nfs/dbraw/zinc/31/00/46/953310046.db2.gz QQCMARVEJKHDAV-MQYQWHSLSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571250315 953310051 /nfs/dbraw/zinc/31/00/51/953310051.db2.gz QQCMARVEJKHDAV-MQYQWHSLSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571250286 953310063 /nfs/dbraw/zinc/31/00/63/953310063.db2.gz QAVDNADJJQGPAB-WFGGJUAMSA-N -1 1 384.444 0.875 20 0 GCADMM O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571250286 953310068 /nfs/dbraw/zinc/31/00/68/953310068.db2.gz QAVDNADJJQGPAB-WFGGJUAMSA-N -1 1 384.444 0.875 20 0 GCADMM O=C(CC1CCOCC1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571250287 953310480 /nfs/dbraw/zinc/31/04/80/953310480.db2.gz QCFWNUOUFTZPRT-OKILXGFUSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(CC1CCOCC1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571250287 953310482 /nfs/dbraw/zinc/31/04/82/953310482.db2.gz QCFWNUOUFTZPRT-OKILXGFUSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC2(CCOCC2)C1)C1CC1 ZINC001571250294 953310606 /nfs/dbraw/zinc/31/06/06/953310606.db2.gz QHECBODPDIUOCJ-CYBMUJFWSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC2(CCOCC2)C1)C1CC1 ZINC001571250294 953310608 /nfs/dbraw/zinc/31/06/08/953310608.db2.gz QHECBODPDIUOCJ-CYBMUJFWSA-N -1 1 384.444 0.558 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571250375 953311437 /nfs/dbraw/zinc/31/14/37/953311437.db2.gz RALAXWOOJVBEMH-KKUMJFAQSA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571250375 953311441 /nfs/dbraw/zinc/31/14/41/953311441.db2.gz RALAXWOOJVBEMH-KKUMJFAQSA-N -1 1 384.444 0.796 20 0 GCADMM O=C(C[C@@H]1CCCOC1)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571251195 953315965 /nfs/dbraw/zinc/31/59/65/953315965.db2.gz RUWPAKJATYFKAD-KCQAQPDRSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@@H]1CCCOC1)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571251195 953315968 /nfs/dbraw/zinc/31/59/68/953315968.db2.gz RUWPAKJATYFKAD-KCQAQPDRSA-N -1 1 384.444 0.511 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)C3=CCOCC3)C2)n1 ZINC001571251711 953318859 /nfs/dbraw/zinc/31/88/59/953318859.db2.gz UTZWYLRNZXHCCI-SFHVURJKSA-N -1 1 384.444 0.962 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)C3=CCOCC3)C2)n1 ZINC001571251711 953318864 /nfs/dbraw/zinc/31/88/64/953318864.db2.gz UTZWYLRNZXHCCI-SFHVURJKSA-N -1 1 384.444 0.962 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571251789 953319326 /nfs/dbraw/zinc/31/93/26/953319326.db2.gz XDJCEIKBDXSBSC-MJBXVCDLSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1=CCCCCC1 ZINC001571252197 953325038 /nfs/dbraw/zinc/32/50/38/953325038.db2.gz YPXAVTCMTFSKTO-AWEZNQCLSA-N -1 1 384.444 0.869 20 0 GCADMM O=C(NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1=CCCCCC1 ZINC001571252197 953325041 /nfs/dbraw/zinc/32/50/41/953325041.db2.gz YPXAVTCMTFSKTO-AWEZNQCLSA-N -1 1 384.444 0.869 20 0 GCADMM O=C([C@H]1CCOC1)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571252413 953327064 /nfs/dbraw/zinc/32/70/64/953327064.db2.gz ZXJFNEFNVZWFLS-UGSOOPFHSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1CCOC1)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571252413 953327069 /nfs/dbraw/zinc/32/70/69/953327069.db2.gz ZXJFNEFNVZWFLS-UGSOOPFHSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571252370 953327080 /nfs/dbraw/zinc/32/70/80/953327080.db2.gz ZPEYMZJLNPSGPZ-HZSPNIEDSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571252370 953327083 /nfs/dbraw/zinc/32/70/83/953327083.db2.gz ZPEYMZJLNPSGPZ-HZSPNIEDSA-N -1 1 384.444 0.732 20 0 GCADMM O=C(c1ccncc1F)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571254600 953340243 /nfs/dbraw/zinc/34/02/43/953340243.db2.gz FCZGMICAIRRITP-SNVBAGLBSA-N -1 1 385.363 0.144 20 0 GCADMM O=C(c1ccncc1F)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571254600 953340247 /nfs/dbraw/zinc/34/02/47/953340247.db2.gz FCZGMICAIRRITP-SNVBAGLBSA-N -1 1 385.363 0.144 20 0 GCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NCC(F)(F)C1(O)CCCCC1 ZINC001571254663 953341128 /nfs/dbraw/zinc/34/11/28/953341128.db2.gz FUJSNEABPYPHHM-UHFFFAOYSA-N -1 1 385.379 0.088 20 0 GCADMM COc1nc(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)co1 ZINC001571254741 953341970 /nfs/dbraw/zinc/34/19/70/953341970.db2.gz CLALVHFOKADDID-UHFFFAOYSA-N -1 1 385.388 0.618 20 0 GCADMM COc1nc(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)co1 ZINC001571254741 953341972 /nfs/dbraw/zinc/34/19/72/953341972.db2.gz CLALVHFOKADDID-UHFFFAOYSA-N -1 1 385.388 0.618 20 0 GCADMM COc1c(C)cccc1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571254737 953342376 /nfs/dbraw/zinc/34/23/76/953342376.db2.gz CHIIWOJTJDQYTN-UHFFFAOYSA-N -1 1 385.384 0.153 20 0 GCADMM COc1cc(C(=O)NCC2CC(Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571255263 953347159 /nfs/dbraw/zinc/34/71/59/953347159.db2.gz GSJZLSZMHGWZOX-UHFFFAOYSA-N -1 1 385.388 0.582 20 0 GCADMM COc1cc(C(=O)NCC2CC(Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571255263 953347163 /nfs/dbraw/zinc/34/71/63/953347163.db2.gz GSJZLSZMHGWZOX-UHFFFAOYSA-N -1 1 385.388 0.582 20 0 GCADMM COCc1nocc1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571255586 953351236 /nfs/dbraw/zinc/35/12/36/953351236.db2.gz JRMIKUBFWJSCMO-UHFFFAOYSA-N -1 1 385.388 0.190 20 0 GCADMM COCc1nocc1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571255586 953351241 /nfs/dbraw/zinc/35/12/41/953351241.db2.gz JRMIKUBFWJSCMO-UHFFFAOYSA-N -1 1 385.388 0.190 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571255697 953353379 /nfs/dbraw/zinc/35/33/79/953353379.db2.gz LLSKBFKFKUQMLV-MRXNPFEDSA-N -1 1 385.388 0.032 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571255697 953353384 /nfs/dbraw/zinc/35/33/84/953353384.db2.gz LLSKBFKFKUQMLV-MRXNPFEDSA-N -1 1 385.388 0.032 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571255977 953359529 /nfs/dbraw/zinc/35/95/29/953359529.db2.gz NMUDBVWIMOVTKA-NSHDSACASA-N -1 1 385.388 0.215 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571255977 953359535 /nfs/dbraw/zinc/35/95/35/953359535.db2.gz NMUDBVWIMOVTKA-NSHDSACASA-N -1 1 385.388 0.215 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571256017 953360787 /nfs/dbraw/zinc/36/07/87/953360787.db2.gz OIGGNNDLBZACRK-NXEZZACHSA-N -1 1 385.388 0.441 20 0 GCADMM CCOc1cc(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)on1 ZINC001571256007 953360971 /nfs/dbraw/zinc/36/09/71/953360971.db2.gz ODALYMFDQZDWMS-MGCOHNPYSA-N -1 1 385.388 0.664 20 0 GCADMM CCOc1cc(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)on1 ZINC001571256007 953360980 /nfs/dbraw/zinc/36/09/80/953360980.db2.gz ODALYMFDQZDWMS-MGCOHNPYSA-N -1 1 385.388 0.664 20 0 GCADMM COc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571256018 953362476 /nfs/dbraw/zinc/36/24/76/953362476.db2.gz OIGGNNDLBZACRK-UWVGGRQHSA-N -1 1 385.388 0.441 20 0 GCADMM 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398.431 0.562 20 0 GCADMM O=S(=O)(NCCCN1CCOCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738340371 598867445 /nfs/dbraw/zinc/86/74/45/598867445.db2.gz ZYMOMCUPTPNPJA-UHFFFAOYSA-N -1 1 386.865 0.521 20 0 GCADMM O=S(=O)(NCCCN1CCOCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738340371 598867447 /nfs/dbraw/zinc/86/74/47/598867447.db2.gz ZYMOMCUPTPNPJA-UHFFFAOYSA-N -1 1 386.865 0.521 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN(C(N)=O)C2)c1-c1nn[n-]n1 ZINC000737190070 598911501 /nfs/dbraw/zinc/91/15/01/598911501.db2.gz UDYSSTUMYIPEKH-VIFPVBQESA-N -1 1 388.457 0.744 20 0 GCADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000737225652 598948583 /nfs/dbraw/zinc/94/85/83/598948583.db2.gz PPENKRVDMTVQQM-UHFFFAOYSA-N -1 1 388.409 0.907 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736747223 598959910 /nfs/dbraw/zinc/95/99/10/598959910.db2.gz PRZONOGFKGCTAS-QWRGUYRKSA-N -1 1 379.446 0.187 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 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CCOC(=O)CCOC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736594604 598973883 /nfs/dbraw/zinc/97/38/83/598973883.db2.gz CPECZBFFWADOSO-UHFFFAOYSA-N -1 1 387.400 0.955 20 0 GCADMM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738103494 598993561 /nfs/dbraw/zinc/99/35/61/598993561.db2.gz KCGKGSYUVZQCCR-UHFFFAOYSA-N -1 1 393.407 0.664 20 0 GCADMM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738103494 598993563 /nfs/dbraw/zinc/99/35/63/598993563.db2.gz KCGKGSYUVZQCCR-UHFFFAOYSA-N -1 1 393.407 0.664 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000737793734 599003519 /nfs/dbraw/zinc/00/35/19/599003519.db2.gz ZKMNEOMGXPSURN-LBPRGKRZSA-N -1 1 391.482 0.352 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000737793734 599003520 /nfs/dbraw/zinc/00/35/20/599003520.db2.gz ZKMNEOMGXPSURN-LBPRGKRZSA-N -1 1 391.482 0.352 20 0 GCADMM CS(=O)(=O)c1ccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737172551 599004325 /nfs/dbraw/zinc/00/43/25/599004325.db2.gz CHQNASGJDDLBEZ-UHFFFAOYSA-N -1 1 388.409 0.474 20 0 GCADMM CS(=O)(=O)c1ccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737172551 599004326 /nfs/dbraw/zinc/00/43/26/599004326.db2.gz CHQNASGJDDLBEZ-UHFFFAOYSA-N -1 1 388.409 0.474 20 0 GCADMM CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735709198 599005686 /nfs/dbraw/zinc/00/56/86/599005686.db2.gz PWMZKROCSZENBS-MFKMUULPSA-N -1 1 375.458 0.938 20 0 GCADMM CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735709198 599005688 /nfs/dbraw/zinc/00/56/88/599005688.db2.gz PWMZKROCSZENBS-MFKMUULPSA-N -1 1 375.458 0.938 20 0 GCADMM CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000736710695 599006549 /nfs/dbraw/zinc/00/65/49/599006549.db2.gz LMDKMHOTROEVPX-NSHDSACASA-N -1 1 383.416 0.726 20 0 GCADMM CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000736710695 599006551 /nfs/dbraw/zinc/00/65/51/599006551.db2.gz LMDKMHOTROEVPX-NSHDSACASA-N -1 1 383.416 0.726 20 0 GCADMM CN(C)C(=O)c1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccn1 ZINC000736751815 599022792 /nfs/dbraw/zinc/02/27/92/599022792.db2.gz PFYRZUZYYNHAGD-UHFFFAOYSA-N -1 1 399.419 0.023 20 0 GCADMM CN(C)C(=O)c1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccn1 ZINC000736751815 599022794 /nfs/dbraw/zinc/02/27/94/599022794.db2.gz PFYRZUZYYNHAGD-UHFFFAOYSA-N -1 1 399.419 0.023 20 0 GCADMM CN(C)Cc1nc(C2(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CCCC2)no1 ZINC000736770717 599025134 /nfs/dbraw/zinc/02/51/34/599025134.db2.gz FUFLUNRJBOMQRQ-UHFFFAOYSA-N -1 1 383.416 0.906 20 0 GCADMM CN(C)Cc1nc(C2(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CCCC2)no1 ZINC000736770717 599025137 /nfs/dbraw/zinc/02/51/37/599025137.db2.gz FUFLUNRJBOMQRQ-UHFFFAOYSA-N -1 1 383.416 0.906 20 0 GCADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccc(O)cc1 ZINC000736891271 599029781 /nfs/dbraw/zinc/02/97/81/599029781.db2.gz JLABBNNVICZFOY-ZDUSSCGKSA-N -1 1 382.380 0.729 20 0 GCADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccc(O)cc1 ZINC000736891271 599029783 /nfs/dbraw/zinc/02/97/83/599029783.db2.gz JLABBNNVICZFOY-ZDUSSCGKSA-N -1 1 382.380 0.729 20 0 GCADMM NC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1Cl ZINC000737731634 599031289 /nfs/dbraw/zinc/03/12/89/599031289.db2.gz VFENOSGWOYVSKY-GFCCVEGCSA-N -1 1 385.815 0.989 20 0 GCADMM NC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1Cl ZINC000737731634 599031291 /nfs/dbraw/zinc/03/12/91/599031291.db2.gz VFENOSGWOYVSKY-GFCCVEGCSA-N -1 1 385.815 0.989 20 0 GCADMM CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736529714 599033453 /nfs/dbraw/zinc/03/34/53/599033453.db2.gz QDEHSQAEJSPTIK-UHFFFAOYSA-N -1 1 386.460 0.278 20 0 GCADMM Cc1ccccc1[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000822350321 599036026 /nfs/dbraw/zinc/03/60/26/599036026.db2.gz CBZRFSMVEFJXAE-CYBMUJFWSA-N -1 1 383.412 0.150 20 0 GCADMM CO[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 ZINC000821677411 599046593 /nfs/dbraw/zinc/04/65/93/599046593.db2.gz WKKFJDYOSZDMAS-LLVKDONJSA-N -1 1 391.819 0.717 20 0 GCADMM C[C@@H]1CCCCN1S(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000820703362 599053250 /nfs/dbraw/zinc/05/32/50/599053250.db2.gz DZKVOWUCSXASRJ-CYBMUJFWSA-N -1 1 392.489 0.503 20 0 GCADMM C[C@@H]1CCCCN1S(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000820703362 599053253 /nfs/dbraw/zinc/05/32/53/599053253.db2.gz DZKVOWUCSXASRJ-CYBMUJFWSA-N -1 1 392.489 0.503 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2cncc(Br)c2)n(C)c1=O ZINC000737598057 599061165 /nfs/dbraw/zinc/06/11/65/599061165.db2.gz WXEHCAJUVHHCRO-UHFFFAOYSA-N -1 1 380.162 0.214 20 0 GCADMM Cc1ccnc(-c2ccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cc2)n1 ZINC000737437986 599061444 /nfs/dbraw/zinc/06/14/44/599061444.db2.gz WWWGNHOLFZRBNS-UHFFFAOYSA-N -1 1 391.395 0.773 20 0 GCADMM CCO[C@@H](C)c1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC000821346568 599079948 /nfs/dbraw/zinc/07/99/48/599079948.db2.gz MDPIRWWDULSTKR-NSHDSACASA-N -1 1 386.420 0.459 20 0 GCADMM CCO[C@@H](C)c1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC000821346568 599079952 /nfs/dbraw/zinc/07/99/52/599079952.db2.gz MDPIRWWDULSTKR-NSHDSACASA-N -1 1 386.420 0.459 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCCCC(=O)OC(C)(C)C)n(C)c1=O ZINC000822599992 599091396 /nfs/dbraw/zinc/09/13/96/599091396.db2.gz IFXLNZJTVAUERF-UHFFFAOYSA-N -1 1 393.448 0.578 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCOC[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000737186482 599108716 /nfs/dbraw/zinc/10/87/16/599108716.db2.gz IBOYTCAGGWZIOZ-SECBINFHSA-N -1 1 380.430 0.615 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCOC[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000737186483 599109071 /nfs/dbraw/zinc/10/90/71/599109071.db2.gz IBOYTCAGGWZIOZ-VIFPVBQESA-N -1 1 380.430 0.615 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000738259229 599109867 /nfs/dbraw/zinc/10/98/67/599109867.db2.gz OPLSYQWHUSMSGE-UHFFFAOYSA-N -1 1 379.380 0.566 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000738259229 599109870 /nfs/dbraw/zinc/10/98/70/599109870.db2.gz OPLSYQWHUSMSGE-UHFFFAOYSA-N -1 1 379.380 0.566 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CSc3ncc[nH]3)CC2)o1 ZINC000822422843 599128177 /nfs/dbraw/zinc/12/81/77/599128177.db2.gz DNLXSBBXZXLZNN-UHFFFAOYSA-N -1 1 375.418 0.327 20 0 GCADMM CCCCc1nnc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)n1N ZINC000821082802 599130795 /nfs/dbraw/zinc/13/07/95/599130795.db2.gz OXAZCNWDZBWQKS-UHFFFAOYSA-N -1 1 387.433 0.555 20 0 GCADMM COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736956092 599135289 /nfs/dbraw/zinc/13/52/89/599135289.db2.gz DLMCZBCLYACGTA-UHFFFAOYSA-N -1 1 382.336 0.844 20 0 GCADMM COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736956092 599135294 /nfs/dbraw/zinc/13/52/94/599135294.db2.gz DLMCZBCLYACGTA-UHFFFAOYSA-N -1 1 382.336 0.844 20 0 GCADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735458745 599139759 /nfs/dbraw/zinc/13/97/59/599139759.db2.gz PNESFDGSCOAEAT-MRXNPFEDSA-N -1 1 394.391 0.735 20 0 GCADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735458745 599139761 /nfs/dbraw/zinc/13/97/61/599139761.db2.gz PNESFDGSCOAEAT-MRXNPFEDSA-N -1 1 394.391 0.735 20 0 GCADMM COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736948947 599140607 /nfs/dbraw/zinc/14/06/07/599140607.db2.gz YVHLDGPBPIZIFI-UHFFFAOYSA-N -1 1 382.336 0.844 20 0 GCADMM COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736948947 599140608 /nfs/dbraw/zinc/14/06/08/599140608.db2.gz YVHLDGPBPIZIFI-UHFFFAOYSA-N -1 1 382.336 0.844 20 0 GCADMM COC(=O)C1(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC000736907908 599143183 /nfs/dbraw/zinc/14/31/83/599143183.db2.gz KMBWYPDTDPYZNX-UHFFFAOYSA-N -1 1 388.384 0.411 20 0 GCADMM COC(=O)C1(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC000736907908 599143185 /nfs/dbraw/zinc/14/31/85/599143185.db2.gz KMBWYPDTDPYZNX-UHFFFAOYSA-N -1 1 388.384 0.411 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CC(=O)Nc2ccccc21 ZINC000738302767 599144347 /nfs/dbraw/zinc/14/43/47/599144347.db2.gz NNGHARQLZRFLLN-UHFFFAOYSA-N -1 1 379.336 0.404 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CC(=O)Nc2ccccc21 ZINC000738302767 599144350 /nfs/dbraw/zinc/14/43/50/599144350.db2.gz NNGHARQLZRFLLN-UHFFFAOYSA-N -1 1 379.336 0.404 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccn(-c3ccc(F)cc3)n2)c1=O ZINC000736719105 599161492 /nfs/dbraw/zinc/16/14/92/599161492.db2.gz OUMYFSLLDNZHHL-UHFFFAOYSA-N -1 1 382.359 0.583 20 0 GCADMM Cc1nn(CCOc2ccc(S(C)(=O)=O)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737519325 599162011 /nfs/dbraw/zinc/16/20/11/599162011.db2.gz ZPOVGEGXYAYRCP-UHFFFAOYSA-N -1 1 390.425 0.523 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](N2CCOCC2)C1 ZINC000738353026 599302112 /nfs/dbraw/zinc/30/21/12/599302112.db2.gz BSPYPZXTKZPIQO-NSHDSACASA-N -1 1 382.421 0.101 20 0 GCADMM Cc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737333145 599211157 /nfs/dbraw/zinc/21/11/57/599211157.db2.gz RRDULTDTRODMKW-CYBMUJFWSA-N -1 1 376.398 0.925 20 0 GCADMM Cc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737333145 599211158 /nfs/dbraw/zinc/21/11/58/599211158.db2.gz RRDULTDTRODMKW-CYBMUJFWSA-N -1 1 376.398 0.925 20 0 GCADMM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])s1 ZINC000738533606 596908457 /nfs/dbraw/zinc/90/84/57/596908457.db2.gz ADZUBXRCKNLGQT-JTQLQIEISA-N -1 1 377.488 0.582 20 0 GCADMM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821662865 599233047 /nfs/dbraw/zinc/23/30/47/599233047.db2.gz WWXYQEHMBSIBAX-UHFFFAOYSA-N -1 1 399.404 0.349 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])ccc1Cl ZINC000818520453 596975365 /nfs/dbraw/zinc/97/53/65/596975365.db2.gz ZDCHYIFISISLBR-UHFFFAOYSA-N -1 1 378.834 0.764 20 0 GCADMM CN(CCC(=O)[O-])CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000818457302 596999801 /nfs/dbraw/zinc/99/98/01/596999801.db2.gz RNWSVHSDTUFBPQ-UHFFFAOYSA-N -1 1 380.420 0.315 20 0 GCADMM COCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@H]1C ZINC000737006437 599239625 /nfs/dbraw/zinc/23/96/25/599239625.db2.gz XCJJKKCOBIGTIH-SNVBAGLBSA-N -1 1 393.473 0.482 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)N2CC[C@H](CN3CCOCC3)C2)=NN1c1ccccc1 ZINC000740476471 597126446 /nfs/dbraw/zinc/12/64/46/597126446.db2.gz NBCVGIJKRTUEBY-QAPCUYQASA-N -1 1 386.452 0.887 20 0 GCADMM Cc1nnc([C@H]2CN(C(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)CCO2)[nH]1 ZINC000818981244 597144322 /nfs/dbraw/zinc/14/43/22/597144322.db2.gz BTKJUWLPQZGQAC-LSDHHAIUSA-N -1 1 384.396 0.733 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)n1 ZINC000822609825 607273279 /nfs/dbraw/zinc/27/32/79/607273279.db2.gz WDVQMGYMHWVAEY-CMPLNLGQSA-N -1 1 386.420 0.311 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)n1 ZINC000822609825 607273280 /nfs/dbraw/zinc/27/32/80/607273280.db2.gz WDVQMGYMHWVAEY-CMPLNLGQSA-N -1 1 386.420 0.311 20 0 GCADMM CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000738014237 597242792 /nfs/dbraw/zinc/24/27/92/597242792.db2.gz ZQDYNTZZTSJCEF-UHFFFAOYSA-N -1 1 376.457 0.394 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cccc3c2OCCCO3)n(C)c1=O ZINC000822600975 607307517 /nfs/dbraw/zinc/30/75/17/607307517.db2.gz RRRKCFIDDSSXSM-UHFFFAOYSA-N -1 1 385.384 0.038 20 0 GCADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000818236441 597516009 /nfs/dbraw/zinc/51/60/09/597516009.db2.gz CPJNYIZAOSRMPF-LBPRGKRZSA-N -1 1 378.429 0.365 20 0 GCADMM CC(=O)NCCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@@H](C)C(=O)[O-] ZINC000819758189 597697105 /nfs/dbraw/zinc/69/71/05/597697105.db2.gz OSCDXZSFBHDNML-HNNXBMFYSA-N -1 1 390.484 0.485 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(-c3ccccn3)c2)c1-c1nnn[n-]1 ZINC000822907579 599284958 /nfs/dbraw/zinc/28/49/58/599284958.db2.gz UFUZBBQYRCSDBS-UHFFFAOYSA-N -1 1 394.403 0.507 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(-c3ccccn3)c2)c1-c1nn[n-]n1 ZINC000822907579 599284960 /nfs/dbraw/zinc/28/49/60/599284960.db2.gz UFUZBBQYRCSDBS-UHFFFAOYSA-N -1 1 394.403 0.507 20 0 GCADMM CCC[C@](C)(O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821007651 607322545 /nfs/dbraw/zinc/32/25/45/607322545.db2.gz CBVIIGMUIJOICT-KRWDZBQOSA-N -1 1 375.433 0.932 20 0 GCADMM Cn1c(=O)c2ccc(C(=O)OC[C@H]3CCC[N@H+]3CC(=O)[O-])cc2[n-]c1=S ZINC000821277913 598063261 /nfs/dbraw/zinc/06/32/61/598063261.db2.gz VKDDWMDQKKGGHV-LLVKDONJSA-N -1 1 377.422 0.928 20 0 GCADMM CCc1nc([C@H]2CN(C(=O)C(=O)Nc3ccccc3CC(=O)[O-])CCO2)n[nH]1 ZINC000820492261 598171724 /nfs/dbraw/zinc/17/17/24/598171724.db2.gz CLMPOPHYBQPKDV-CYBMUJFWSA-N -1 1 387.396 0.533 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCN1CCOC[C@@H]1C ZINC000737199021 598234006 /nfs/dbraw/zinc/23/40/06/598234006.db2.gz FKEQHWFZOBONOG-NSHDSACASA-N -1 1 389.460 0.354 20 0 GCADMM COc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737043353 598259568 /nfs/dbraw/zinc/25/95/68/598259568.db2.gz IAZCCVKELFIOLB-UHFFFAOYSA-N -1 1 391.365 0.859 20 0 GCADMM COc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737043353 598259569 /nfs/dbraw/zinc/25/95/69/598259569.db2.gz IAZCCVKELFIOLB-UHFFFAOYSA-N -1 1 391.365 0.859 20 0 GCADMM C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)O1 ZINC000736288959 598261545 /nfs/dbraw/zinc/26/15/45/598261545.db2.gz BQXJOXWGLRZVFY-VXGBXAGGSA-N -1 1 395.489 0.428 20 0 GCADMM C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)O1 ZINC000736288959 598261546 /nfs/dbraw/zinc/26/15/46/598261546.db2.gz BQXJOXWGLRZVFY-VXGBXAGGSA-N -1 1 395.489 0.428 20 0 GCADMM CN(C)C(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736752809 598261861 /nfs/dbraw/zinc/26/18/61/598261861.db2.gz CPAWUZQBEDNTAL-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM CN(C)C(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736752809 598261862 /nfs/dbraw/zinc/26/18/62/598261862.db2.gz CPAWUZQBEDNTAL-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000737186905 598262179 /nfs/dbraw/zinc/26/21/79/598262179.db2.gz LNVNYRYDKQZWCK-NXEZZACHSA-N -1 1 393.473 0.528 20 0 GCADMM O=S(=O)(NCc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344821 598263070 /nfs/dbraw/zinc/26/30/70/598263070.db2.gz IZIQZRKQEUAKLX-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM O=S(=O)(NCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344821 598263072 /nfs/dbraw/zinc/26/30/72/598263072.db2.gz IZIQZRKQEUAKLX-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM CC(C)(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735585778 598264607 /nfs/dbraw/zinc/26/46/07/598264607.db2.gz FNBOEJIAEAADKS-UHFFFAOYSA-N -1 1 393.473 0.577 20 0 GCADMM CC(C)(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735585778 598264608 /nfs/dbraw/zinc/26/46/08/598264608.db2.gz FNBOEJIAEAADKS-UHFFFAOYSA-N -1 1 393.473 0.577 20 0 GCADMM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736601500 598265813 /nfs/dbraw/zinc/26/58/13/598265813.db2.gz ZEALCSNVURFHMV-JTQLQIEISA-N -1 1 381.418 0.161 20 0 GCADMM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736601500 598265814 /nfs/dbraw/zinc/26/58/14/598265814.db2.gz ZEALCSNVURFHMV-JTQLQIEISA-N -1 1 381.418 0.161 20 0 GCADMM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737173250 598265878 /nfs/dbraw/zinc/26/58/78/598265878.db2.gz JKKVQZPKCWUXGV-UHFFFAOYSA-N -1 1 394.438 0.144 20 0 GCADMM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737173250 598265880 /nfs/dbraw/zinc/26/58/80/598265880.db2.gz JKKVQZPKCWUXGV-UHFFFAOYSA-N -1 1 394.438 0.144 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCc1ccccc1 ZINC000736131325 598268130 /nfs/dbraw/zinc/26/81/30/598268130.db2.gz QOBYHDQQNNYQEZ-LLVKDONJSA-N -1 1 387.425 0.245 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCc1ccccc1 ZINC000736131325 598268131 /nfs/dbraw/zinc/26/81/31/598268131.db2.gz QOBYHDQQNNYQEZ-LLVKDONJSA-N -1 1 387.425 0.245 20 0 GCADMM CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735857672 598269976 /nfs/dbraw/zinc/26/99/76/598269976.db2.gz XJYYJFXBLZUFJH-LBPRGKRZSA-N -1 1 397.486 0.192 20 0 GCADMM CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735857672 598269977 /nfs/dbraw/zinc/26/99/77/598269977.db2.gz XJYYJFXBLZUFJH-LBPRGKRZSA-N -1 1 397.486 0.192 20 0 GCADMM C[C@@H]1Cc2ccccc2N1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736300191 598270271 /nfs/dbraw/zinc/27/02/71/598270271.db2.gz VGTAAKRKEKRDDI-GFCCVEGCSA-N -1 1 385.453 0.991 20 0 GCADMM C[C@@H]1Cc2ccccc2N1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736300191 598270273 /nfs/dbraw/zinc/27/02/73/598270273.db2.gz VGTAAKRKEKRDDI-GFCCVEGCSA-N -1 1 385.453 0.991 20 0 GCADMM Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000737357215 598297940 /nfs/dbraw/zinc/29/79/40/598297940.db2.gz WUWKHWRGXXVUOR-UHFFFAOYSA-N -1 1 383.416 0.476 20 0 GCADMM Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000737357215 598297942 /nfs/dbraw/zinc/29/79/42/598297942.db2.gz WUWKHWRGXXVUOR-UHFFFAOYSA-N -1 1 383.416 0.476 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccccc2)[C@@H]2CCCO2)n(C)c1=O ZINC000737596403 598312727 /nfs/dbraw/zinc/31/27/27/598312727.db2.gz NEFUSUZQNIZVNP-GXTWGEPZSA-N -1 1 383.412 0.596 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1c1nccn2cnnc12 ZINC000820741230 607350277 /nfs/dbraw/zinc/35/02/77/607350277.db2.gz BOZIVQHDURXGKU-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1c1nccn2cnnc12 ZINC000820741230 607350279 /nfs/dbraw/zinc/35/02/79/607350279.db2.gz BOZIVQHDURXGKU-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM COc1ccc(OC)c(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737109828 598337872 /nfs/dbraw/zinc/33/78/72/598337872.db2.gz NXWBDTQUVXOQQR-UHFFFAOYSA-N -1 1 382.428 0.996 20 0 GCADMM O=S(=O)(Cc1ccccc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738331647 598338131 /nfs/dbraw/zinc/33/81/31/598338131.db2.gz VPKFZMPMQDBHLH-UHFFFAOYSA-N -1 1 386.441 0.309 20 0 GCADMM O=S(=O)(Cc1ccccc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738331647 598338133 /nfs/dbraw/zinc/33/81/33/598338133.db2.gz VPKFZMPMQDBHLH-UHFFFAOYSA-N -1 1 386.441 0.309 20 0 GCADMM O=C(c1ccc2c(c1)OCO2)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738266949 598340863 /nfs/dbraw/zinc/34/08/63/598340863.db2.gz FFDLHQLCCCHRGE-UHFFFAOYSA-N -1 1 380.368 0.348 20 0 GCADMM O=C(c1ccc2c(c1)OCO2)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738266949 598340865 /nfs/dbraw/zinc/34/08/65/598340865.db2.gz FFDLHQLCCCHRGE-UHFFFAOYSA-N -1 1 380.368 0.348 20 0 GCADMM O=c1[nH]c(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc2ccccc21 ZINC000738374492 598341440 /nfs/dbraw/zinc/34/14/40/598341440.db2.gz PFAQUECYJDEUQP-UHFFFAOYSA-N -1 1 390.411 0.628 20 0 GCADMM O=c1[nH]c(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc2ccccc21 ZINC000738374492 598341442 /nfs/dbraw/zinc/34/14/42/598341442.db2.gz PFAQUECYJDEUQP-UHFFFAOYSA-N -1 1 390.411 0.628 20 0 GCADMM CCOC(=O)c1ccc(N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC000736602135 598350087 /nfs/dbraw/zinc/35/00/87/598350087.db2.gz HBCMGWPANLJETM-UHFFFAOYSA-N -1 1 395.427 0.945 20 0 GCADMM CCOC(=O)c1ccc(N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC000736602135 598350089 /nfs/dbraw/zinc/35/00/89/598350089.db2.gz HBCMGWPANLJETM-UHFFFAOYSA-N -1 1 395.427 0.945 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(NC3CCCC3)nc2)n(C)c1=O ZINC000737594865 598351930 /nfs/dbraw/zinc/35/19/30/598351930.db2.gz CRPBDDLKCKUOKP-UHFFFAOYSA-N -1 1 383.416 0.757 20 0 GCADMM O=C(CN1CCn2cnnc2C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737883651 598351935 /nfs/dbraw/zinc/35/19/35/598351935.db2.gz HZTXXTQKZYRCNH-UHFFFAOYSA-N -1 1 391.399 0.098 20 0 GCADMM O=C(CN1CCn2cnnc2C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737883651 598351938 /nfs/dbraw/zinc/35/19/38/598351938.db2.gz HZTXXTQKZYRCNH-UHFFFAOYSA-N -1 1 391.399 0.098 20 0 GCADMM CC(C)c1nc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cs1 ZINC000735941103 598352049 /nfs/dbraw/zinc/35/20/49/598352049.db2.gz WUNJUXYOXSVVJF-UHFFFAOYSA-N -1 1 376.446 0.499 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCN1C(=O)CCC1=O ZINC000737549509 598362166 /nfs/dbraw/zinc/36/21/66/598362166.db2.gz WDFIUGOVHHTIJS-UHFFFAOYSA-N -1 1 397.395 0.828 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCN1C(=O)CCC1=O ZINC000737549509 598362168 /nfs/dbraw/zinc/36/21/68/598362168.db2.gz WDFIUGOVHHTIJS-UHFFFAOYSA-N -1 1 397.395 0.828 20 0 GCADMM CNC(=O)C1(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000736869523 598371057 /nfs/dbraw/zinc/37/10/57/598371057.db2.gz DDZQAQKSEOROLE-UHFFFAOYSA-N -1 1 381.396 0.930 20 0 GCADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1cnc(-c2nnn[n-]2)cn1 ZINC000736797001 598386473 /nfs/dbraw/zinc/38/64/73/598386473.db2.gz DYBIHIQHOBKHRD-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1cnc(-c2nn[n-]n2)cn1 ZINC000736797001 598386475 /nfs/dbraw/zinc/38/64/75/598386475.db2.gz DYBIHIQHOBKHRD-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOc2ccc(F)cc2F)n(C)c1=O ZINC000737597209 598386525 /nfs/dbraw/zinc/38/65/25/598386525.db2.gz RJTXNKNGQZZSEX-UHFFFAOYSA-N -1 1 379.327 0.033 20 0 GCADMM COC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000736948838 598406397 /nfs/dbraw/zinc/40/63/97/598406397.db2.gz QBFHXKCHLKSIHF-UHFFFAOYSA-N -1 1 386.393 0.753 20 0 GCADMM COC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000736948838 598406400 /nfs/dbraw/zinc/40/64/00/598406400.db2.gz QBFHXKCHLKSIHF-UHFFFAOYSA-N -1 1 386.393 0.753 20 0 GCADMM COCCCN(Cc1ccncc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736982478 598406419 /nfs/dbraw/zinc/40/64/19/598406419.db2.gz XKNOLXMXFMGUGE-UHFFFAOYSA-N -1 1 389.441 0.884 20 0 GCADMM COCCCN(Cc1ccncc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736982478 598406420 /nfs/dbraw/zinc/40/64/20/598406420.db2.gz XKNOLXMXFMGUGE-UHFFFAOYSA-N -1 1 389.441 0.884 20 0 GCADMM O=S(=O)(NCCOc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337487 598407096 /nfs/dbraw/zinc/40/70/96/598407096.db2.gz DHRLTUMUPRRTMP-UHFFFAOYSA-N -1 1 382.352 0.897 20 0 GCADMM O=S(=O)(NCCOc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337487 598407098 /nfs/dbraw/zinc/40/70/98/598407098.db2.gz DHRLTUMUPRRTMP-UHFFFAOYSA-N -1 1 382.352 0.897 20 0 GCADMM CC(=O)N(C)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735457651 598407358 /nfs/dbraw/zinc/40/73/58/598407358.db2.gz ALWAYUOXUKASQO-UHFFFAOYSA-N -1 1 398.383 0.012 20 0 GCADMM CC(=O)N(C)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735457651 598407359 /nfs/dbraw/zinc/40/73/59/598407359.db2.gz ALWAYUOXUKASQO-UHFFFAOYSA-N -1 1 398.383 0.012 20 0 GCADMM COC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000736908400 598420839 /nfs/dbraw/zinc/42/08/39/598420839.db2.gz FRPXOJJDMMCMHH-GFCCVEGCSA-N -1 1 388.428 0.928 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C(N)=O)C(C)C ZINC000737487417 598424962 /nfs/dbraw/zinc/42/49/62/598424962.db2.gz IRIAJFWUTLXVMD-AWEZNQCLSA-N -1 1 385.432 0.085 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C(N)=O)C(C)C ZINC000737487417 598424964 /nfs/dbraw/zinc/42/49/64/598424964.db2.gz IRIAJFWUTLXVMD-AWEZNQCLSA-N -1 1 385.432 0.085 20 0 GCADMM CC(C)NC(=O)CNC(=S)NNc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000735887514 598439496 /nfs/dbraw/zinc/43/94/96/598439496.db2.gz AOTUPVXQWZWUPP-UHFFFAOYSA-N -1 1 381.466 0.468 20 0 GCADMM O=S(=O)(NCc1ccc2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344853 598464564 /nfs/dbraw/zinc/46/45/64/598464564.db2.gz KCVJLNGEAHOMRC-UHFFFAOYSA-N -1 1 388.409 0.902 20 0 GCADMM O=S(=O)(NCc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344853 598464566 /nfs/dbraw/zinc/46/45/66/598464566.db2.gz KCVJLNGEAHOMRC-UHFFFAOYSA-N -1 1 388.409 0.902 20 0 GCADMM COc1cc(Cl)ccc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737046335 598469145 /nfs/dbraw/zinc/46/91/45/598469145.db2.gz BLRXSCSOUMHTRS-UHFFFAOYSA-N -1 1 377.792 0.538 20 0 GCADMM O=C(COC(=O)[C@H](O)C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737901781 598476037 /nfs/dbraw/zinc/47/60/37/598476037.db2.gz ZDLCWQGVGXOCBY-CQSZACIVSA-N -1 1 383.368 0.305 20 0 GCADMM O=C(COC(=O)[C@H](O)C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737901781 598476039 /nfs/dbraw/zinc/47/60/39/598476039.db2.gz ZDLCWQGVGXOCBY-CQSZACIVSA-N -1 1 383.368 0.305 20 0 GCADMM CCOC(=O)CCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736592082 598502126 /nfs/dbraw/zinc/50/21/26/598502126.db2.gz LUVPGTINBFWFOY-UHFFFAOYSA-N -1 1 384.396 0.641 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCS(=O)(=O)CC1 ZINC000737549670 598506107 /nfs/dbraw/zinc/50/61/07/598506107.db2.gz WOBWLCUTYWOTHO-UHFFFAOYSA-N -1 1 376.398 0.429 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCS(=O)(=O)CC1 ZINC000737549670 598506109 /nfs/dbraw/zinc/50/61/09/598506109.db2.gz WOBWLCUTYWOTHO-UHFFFAOYSA-N -1 1 376.398 0.429 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC000736261422 598537262 /nfs/dbraw/zinc/53/72/62/598537262.db2.gz NYXOXTPIQKFLGP-ZIAGYGMSSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC000736261422 598537263 /nfs/dbraw/zinc/53/72/63/598537263.db2.gz NYXOXTPIQKFLGP-ZIAGYGMSSA-N -1 1 385.476 0.474 20 0 GCADMM COC(=O)C(C)(C)NCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736886929 598537359 /nfs/dbraw/zinc/53/73/59/598537359.db2.gz DDSGDNUJVJHZEQ-UHFFFAOYSA-N -1 1 384.400 0.532 20 0 GCADMM COC(=O)C(C)(C)NCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736886929 598537361 /nfs/dbraw/zinc/53/73/61/598537361.db2.gz DDSGDNUJVJHZEQ-UHFFFAOYSA-N -1 1 384.400 0.532 20 0 GCADMM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC000736261420 598537605 /nfs/dbraw/zinc/53/76/05/598537605.db2.gz NYXOXTPIQKFLGP-UONOGXRCSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC000736261420 598537607 /nfs/dbraw/zinc/53/76/07/598537607.db2.gz NYXOXTPIQKFLGP-UONOGXRCSA-N -1 1 385.476 0.474 20 0 GCADMM O=C(NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1F ZINC000738076563 598538284 /nfs/dbraw/zinc/53/82/84/598538284.db2.gz SYZFCFHJBIXMOQ-UHFFFAOYSA-N -1 1 397.418 0.348 20 0 GCADMM O=C(NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1F ZINC000738076563 598538287 /nfs/dbraw/zinc/53/82/87/598538287.db2.gz SYZFCFHJBIXMOQ-UHFFFAOYSA-N -1 1 397.418 0.348 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H]1C(=O)OCC1(C)C ZINC000737486836 598583953 /nfs/dbraw/zinc/58/39/53/598583953.db2.gz FRUUTTKVYBYKBL-AWEZNQCLSA-N -1 1 399.411 0.954 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H]1C(=O)OCC1(C)C ZINC000737486836 598583954 /nfs/dbraw/zinc/58/39/54/598583954.db2.gz FRUUTTKVYBYKBL-AWEZNQCLSA-N -1 1 399.411 0.954 20 0 GCADMM COc1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000737090033 598614360 /nfs/dbraw/zinc/61/43/60/598614360.db2.gz FOCFGVRXFWFJEY-UHFFFAOYSA-N -1 1 378.389 0.930 20 0 GCADMM COc1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000737090033 598614361 /nfs/dbraw/zinc/61/43/61/598614361.db2.gz FOCFGVRXFWFJEY-UHFFFAOYSA-N -1 1 378.389 0.930 20 0 GCADMM O=C(NCc1nn[n-]n1)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738128436 598626145 /nfs/dbraw/zinc/62/61/45/598626145.db2.gz BVHIEAHWYJQQIC-UHFFFAOYSA-N -1 1 377.368 0.889 20 0 GCADMM COc1ccc(OC)c([C@H](C)NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000737110218 598675924 /nfs/dbraw/zinc/67/59/24/598675924.db2.gz YBIKRNOWMNCBTC-NSHDSACASA-N -1 1 384.396 0.923 20 0 GCADMM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737761296 598687094 /nfs/dbraw/zinc/68/70/94/598687094.db2.gz WSLWXBDQZCRPIQ-UHFFFAOYSA-N -1 1 376.373 0.583 20 0 GCADMM CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736878494 598688214 /nfs/dbraw/zinc/68/82/14/598688214.db2.gz VGPLOUVBANQEON-UHFFFAOYSA-N -1 1 390.400 0.844 20 0 GCADMM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735684128 598689722 /nfs/dbraw/zinc/68/97/22/598689722.db2.gz BVLZUMRTADXISR-UHFFFAOYSA-N -1 1 396.448 0.931 20 0 GCADMM COc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C(N)=O)c1 ZINC000737112317 598692997 /nfs/dbraw/zinc/69/29/97/598692997.db2.gz SUWGPBSQFRCCNO-UHFFFAOYSA-N -1 1 393.356 0.881 20 0 GCADMM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736747345 598693195 /nfs/dbraw/zinc/69/31/95/598693195.db2.gz RHZWXIHJXRQAMT-LLVKDONJSA-N -1 1 386.434 0.158 20 0 GCADMM CN(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000736800303 598694931 /nfs/dbraw/zinc/69/49/31/598694931.db2.gz JIBSYNJPKICGRZ-UHFFFAOYSA-N -1 1 383.434 0.407 20 0 GCADMM CN(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000736800303 598694933 /nfs/dbraw/zinc/69/49/33/598694933.db2.gz JIBSYNJPKICGRZ-UHFFFAOYSA-N -1 1 383.434 0.407 20 0 GCADMM COCCCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736988545 598709429 /nfs/dbraw/zinc/70/94/29/598709429.db2.gz USKMMSZSRASPPO-UHFFFAOYSA-N -1 1 397.461 0.220 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2nccs2)C1 ZINC000738355813 598710342 /nfs/dbraw/zinc/71/03/42/598710342.db2.gz UFDKDLPCUAXGBW-LLVKDONJSA-N -1 1 379.427 0.480 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2nccs2)C1 ZINC000738355813 598710344 /nfs/dbraw/zinc/71/03/44/598710344.db2.gz UFDKDLPCUAXGBW-LLVKDONJSA-N -1 1 379.427 0.480 20 0 GCADMM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000738303500 598711445 /nfs/dbraw/zinc/71/14/45/598711445.db2.gz QYNNFXBUGFTNEN-NSHDSACASA-N -1 1 394.432 0.781 20 0 GCADMM O=C1CCCN1C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738302724 598711464 /nfs/dbraw/zinc/71/14/64/598711464.db2.gz MJSPBJOLRPFTMG-GFCCVEGCSA-N -1 1 391.457 0.427 20 0 GCADMM O=C1CCCN1C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738302724 598711465 /nfs/dbraw/zinc/71/14/65/598711465.db2.gz MJSPBJOLRPFTMG-GFCCVEGCSA-N -1 1 391.457 0.427 20 0 GCADMM O=C([C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1)N1CCCC1 ZINC000737791508 598712857 /nfs/dbraw/zinc/71/28/57/598712857.db2.gz LCFSFJNPJIMPHA-LBPRGKRZSA-N -1 1 391.457 0.285 20 0 GCADMM O=C([C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1)N1CCCC1 ZINC000737791508 598712859 /nfs/dbraw/zinc/71/28/59/598712859.db2.gz LCFSFJNPJIMPHA-LBPRGKRZSA-N -1 1 391.457 0.285 20 0 GCADMM Cn1c(=O)cc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n(C)c1=O ZINC000737589107 598721054 /nfs/dbraw/zinc/72/10/54/598721054.db2.gz ANNKPFSIWZBHEQ-UHFFFAOYSA-N -1 1 399.798 0.281 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000737198526 598754881 /nfs/dbraw/zinc/75/48/81/598754881.db2.gz AOHAZKLDEFNBTB-SECBINFHSA-N -1 1 396.473 0.408 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](CCO)C1 ZINC000822459830 607366220 /nfs/dbraw/zinc/36/62/20/607366220.db2.gz YEGGCPPIPCARBX-ZDUSSCGKSA-N -1 1 384.444 0.690 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](CCO)C1 ZINC000822459830 607366222 /nfs/dbraw/zinc/36/62/22/607366222.db2.gz YEGGCPPIPCARBX-ZDUSSCGKSA-N -1 1 384.444 0.690 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2nccs2)c2ccccc2)n(C)c1=O ZINC000737595090 598757968 /nfs/dbraw/zinc/75/79/68/598757968.db2.gz FQFQUHZUDNCFLJ-LBPRGKRZSA-N -1 1 396.436 0.922 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)c2ccc(Br)cc2)c1=O ZINC000737591542 598769486 /nfs/dbraw/zinc/76/94/86/598769486.db2.gz GUULVRKGEKVZBP-LLVKDONJSA-N -1 1 393.201 0.223 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCC(=O)N(C)C ZINC000737487409 598786485 /nfs/dbraw/zinc/78/64/85/598786485.db2.gz INZJGHGORBXKCI-UHFFFAOYSA-N -1 1 386.416 0.480 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCC(=O)N(C)C ZINC000737487409 598786486 /nfs/dbraw/zinc/78/64/86/598786486.db2.gz INZJGHGORBXKCI-UHFFFAOYSA-N -1 1 386.416 0.480 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1COCCO1 ZINC000737487746 598787641 /nfs/dbraw/zinc/78/76/41/598787641.db2.gz LSJNRVBQXQVJLD-GFCCVEGCSA-N -1 1 387.400 0.417 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1COCCO1 ZINC000737487746 598787643 /nfs/dbraw/zinc/78/76/43/598787643.db2.gz LSJNRVBQXQVJLD-GFCCVEGCSA-N -1 1 387.400 0.417 20 0 GCADMM Cc1cc(C)n(C[C@H]2CCCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000737258190 598788103 /nfs/dbraw/zinc/78/81/03/598788103.db2.gz ZCMNJFROPHITGY-CYBMUJFWSA-N -1 1 399.459 0.137 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2c2ccc(F)c(F)c2)n(C)c1=O ZINC000737597125 598795748 /nfs/dbraw/zinc/79/57/48/598795748.db2.gz QDFHJVDMUUCHGH-LBPRGKRZSA-N -1 1 389.366 0.884 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCS(=O)CC1 ZINC000737487402 598808593 /nfs/dbraw/zinc/80/85/93/598808593.db2.gz IHYMDFHRHDOZSG-UHFFFAOYSA-N -1 1 388.457 0.050 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCS(=O)CC1 ZINC000737487402 598808595 /nfs/dbraw/zinc/80/85/95/598808595.db2.gz IHYMDFHRHDOZSG-UHFFFAOYSA-N -1 1 388.457 0.050 20 0 GCADMM CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000735831797 598811360 /nfs/dbraw/zinc/81/13/60/598811360.db2.gz VQZCPUXKOCTOET-UHFFFAOYSA-N -1 1 397.439 0.792 20 0 GCADMM CCc1ccc(CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C2CC2)cc1 ZINC000736687298 598814195 /nfs/dbraw/zinc/81/41/95/598814195.db2.gz APGFJLIQDVCSOH-UHFFFAOYSA-N -1 1 381.440 0.996 20 0 GCADMM C[C@H](c1cc(F)ccc1F)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736198374 598814846 /nfs/dbraw/zinc/81/48/46/598814846.db2.gz SNEJUDQTXSMANL-MRVPVSSYSA-N -1 1 377.355 0.740 20 0 GCADMM COc1ccccc1CN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC000737150801 598815461 /nfs/dbraw/zinc/81/54/61/598815461.db2.gz WELLLVHJQUMPEB-UHFFFAOYSA-N -1 1 383.412 0.442 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](N2CCOCC2)C1 ZINC000738353026 599302109 /nfs/dbraw/zinc/30/21/09/599302109.db2.gz BSPYPZXTKZPIQO-NSHDSACASA-N -1 1 382.421 0.101 20 0 GCADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1-n1cnnn1 ZINC000737105528 599315039 /nfs/dbraw/zinc/31/50/39/599315039.db2.gz IPQIWQCRICVQIC-UHFFFAOYSA-N -1 1 399.396 0.652 20 0 GCADMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737748221 599316710 /nfs/dbraw/zinc/31/67/10/599316710.db2.gz QAZSNERVGZZYDU-UHFFFAOYSA-N -1 1 387.425 0.955 20 0 GCADMM COc1ccccc1C[C@H](C)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737151411 599323869 /nfs/dbraw/zinc/32/38/69/599323869.db2.gz BMRVQTKCCQWCMG-NSHDSACASA-N -1 1 385.428 0.340 20 0 GCADMM O=S(=O)(C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823556989 599337299 /nfs/dbraw/zinc/33/72/99/599337299.db2.gz DEBBCAPYAHNOSD-UHFFFAOYSA-N -1 1 391.413 0.729 20 0 GCADMM CCCNC(=O)CN(CCC)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821114431 599337950 /nfs/dbraw/zinc/33/79/50/599337950.db2.gz RRMOBOZMSYFSFC-UHFFFAOYSA-N -1 1 384.437 0.933 20 0 GCADMM CCCNC(=O)CN(CCC)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821114431 599337951 /nfs/dbraw/zinc/33/79/51/599337951.db2.gz RRMOBOZMSYFSFC-UHFFFAOYSA-N -1 1 384.437 0.933 20 0 GCADMM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821631365 599342938 /nfs/dbraw/zinc/34/29/38/599342938.db2.gz GYXZJGNBGJDPRD-SECBINFHSA-N -1 1 384.849 0.667 20 0 GCADMM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000820292350 599343943 /nfs/dbraw/zinc/34/39/43/599343943.db2.gz DGONFVCLJBLPGK-MRVPVSSYSA-N -1 1 377.423 0.059 20 0 GCADMM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000820292350 599343945 /nfs/dbraw/zinc/34/39/45/599343945.db2.gz DGONFVCLJBLPGK-MRVPVSSYSA-N -1 1 377.423 0.059 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC000821378493 599345714 /nfs/dbraw/zinc/34/57/14/599345714.db2.gz PJKZJYZSJHXGFP-GFCCVEGCSA-N -1 1 398.464 0.737 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC000821378493 599345717 /nfs/dbraw/zinc/34/57/17/599345717.db2.gz PJKZJYZSJHXGFP-GFCCVEGCSA-N -1 1 398.464 0.737 20 0 GCADMM CC[C@](C)(NCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C(=O)OC ZINC000736315377 599357031 /nfs/dbraw/zinc/35/70/31/599357031.db2.gz IZIYWQLXYZZIOG-SFHVURJKSA-N -1 1 398.427 0.922 20 0 GCADMM CC[C@](C)(NCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C(=O)OC ZINC000736315377 599357034 /nfs/dbraw/zinc/35/70/34/599357034.db2.gz IZIYWQLXYZZIOG-SFHVURJKSA-N -1 1 398.427 0.922 20 0 GCADMM C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)N1c1ccccc1 ZINC000820667424 599361826 /nfs/dbraw/zinc/36/18/26/599361826.db2.gz MEEARCXVUJFSNX-XHDPSFHLSA-N -1 1 399.436 0.734 20 0 GCADMM C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)N1c1ccccc1 ZINC000820667424 599361829 /nfs/dbraw/zinc/36/18/29/599361829.db2.gz MEEARCXVUJFSNX-XHDPSFHLSA-N -1 1 399.436 0.734 20 0 GCADMM Cc1cnn(CC2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000822403702 599367879 /nfs/dbraw/zinc/36/78/79/599367879.db2.gz SBNNQGZWXFEEIQ-UHFFFAOYSA-N -1 1 388.457 0.868 20 0 GCADMM Cc1cnn(CC2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000822403702 599367882 /nfs/dbraw/zinc/36/78/82/599367882.db2.gz SBNNQGZWXFEEIQ-UHFFFAOYSA-N -1 1 388.457 0.868 20 0 GCADMM O=C([C@H]1COc2ccccc2O1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737792422 599395364 /nfs/dbraw/zinc/39/53/64/599395364.db2.gz OIGONJVETSCEHW-MRXNPFEDSA-N -1 1 393.407 0.750 20 0 GCADMM O=C([C@H]1COc2ccccc2O1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737792422 599395365 /nfs/dbraw/zinc/39/53/65/599395365.db2.gz OIGONJVETSCEHW-MRXNPFEDSA-N -1 1 393.407 0.750 20 0 GCADMM NC(=O)C1CCN(c2ncccc2CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737746281 599430311 /nfs/dbraw/zinc/43/03/11/599430311.db2.gz QUCWGZNBCZECET-UHFFFAOYSA-N -1 1 379.428 0.971 20 0 GCADMM CCNS(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736577120 599447512 /nfs/dbraw/zinc/44/75/12/599447512.db2.gz BZESOQWWYUCFNQ-UHFFFAOYSA-N -1 1 394.417 0.091 20 0 GCADMM COCCN1C(=O)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)N(C)C)=C1C ZINC000821690674 599493168 /nfs/dbraw/zinc/49/31/68/599493168.db2.gz VDJIJAMMAFORGB-ZDUSSCGKSA-N -1 1 375.389 0.535 20 0 GCADMM COCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)N(C)C)=C1C ZINC000821690674 599493171 /nfs/dbraw/zinc/49/31/71/599493171.db2.gz VDJIJAMMAFORGB-ZDUSSCGKSA-N -1 1 375.389 0.535 20 0 GCADMM CN1c2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1=O ZINC000736842843 599559326 /nfs/dbraw/zinc/55/93/26/599559326.db2.gz FWUUNHRDXTXJQD-UHFFFAOYSA-N -1 1 385.409 0.824 20 0 GCADMM CN1c2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1=O ZINC000736842843 599559329 /nfs/dbraw/zinc/55/93/29/599559329.db2.gz FWUUNHRDXTXJQD-UHFFFAOYSA-N -1 1 385.409 0.824 20 0 GCADMM CSC[C@@](C)(O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737179517 599579331 /nfs/dbraw/zinc/57/93/31/599579331.db2.gz LJHWSGBMYALFKH-INIZCTEOSA-N -1 1 380.474 0.747 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCN1 ZINC000738307026 599594643 /nfs/dbraw/zinc/59/46/43/599594643.db2.gz NUZNWXUTDZRLSP-UHFFFAOYSA-N -1 1 376.320 0.006 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCCS(N)(=O)=O ZINC000822540770 599651397 /nfs/dbraw/zinc/65/13/97/599651397.db2.gz GPQCWRBTONZMMF-UHFFFAOYSA-N -1 1 380.386 0.394 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCCS(N)(=O)=O ZINC000822540770 599651398 /nfs/dbraw/zinc/65/13/98/599651398.db2.gz GPQCWRBTONZMMF-UHFFFAOYSA-N -1 1 380.386 0.394 20 0 GCADMM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820220372 599662223 /nfs/dbraw/zinc/66/22/23/599662223.db2.gz SGBVNQBWTOFTGC-SNVBAGLBSA-N -1 1 382.384 0.647 20 0 GCADMM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820220372 599662224 /nfs/dbraw/zinc/66/22/24/599662224.db2.gz SGBVNQBWTOFTGC-SNVBAGLBSA-N -1 1 382.384 0.647 20 0 GCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(-n2cccn2)c1 ZINC000820451523 599687230 /nfs/dbraw/zinc/68/72/30/599687230.db2.gz VNNFZXUUOFUXOM-LLVKDONJSA-N -1 1 393.411 0.623 20 0 GCADMM CC(=O)N(C)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000819788663 599693326 /nfs/dbraw/zinc/69/33/26/599693326.db2.gz GGBPTXXBVSUXLS-UHFFFAOYSA-N -1 1 398.431 0.909 20 0 GCADMM CC(=O)N(C)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000819788663 599693327 /nfs/dbraw/zinc/69/33/27/599693327.db2.gz GGBPTXXBVSUXLS-UHFFFAOYSA-N -1 1 398.431 0.909 20 0 GCADMM CC(C)OCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820145629 599694525 /nfs/dbraw/zinc/69/45/25/599694525.db2.gz CJQLXXBFOCAJSS-UHFFFAOYSA-N -1 1 398.464 0.737 20 0 GCADMM CC(C)OCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820145629 599694526 /nfs/dbraw/zinc/69/45/26/599694526.db2.gz CJQLXXBFOCAJSS-UHFFFAOYSA-N -1 1 398.464 0.737 20 0 GCADMM CS(=O)(=O)NC[C@H]1CCCCN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000738165745 599842073 /nfs/dbraw/zinc/84/20/73/599842073.db2.gz ZJGHXJDVTGPEDK-OJLMPMFISA-N -1 1 391.515 0.282 20 0 GCADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000736369075 599849349 /nfs/dbraw/zinc/84/93/49/599849349.db2.gz PRGMGVZNEMQCGU-OAHLLOKOSA-N -1 1 378.477 0.787 20 0 GCADMM CCc1cc(=O)n2[nH]c(NS(=O)(=O)c3ccc(OCC(=O)[O-])cc3)nc2n1 ZINC000737251113 599883309 /nfs/dbraw/zinc/88/33/09/599883309.db2.gz QJBYTLFVHWGZKR-UHFFFAOYSA-N -1 1 393.381 0.244 20 0 GCADMM Cc1cc(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)sc1C(=O)[O-] ZINC000738239608 599924482 /nfs/dbraw/zinc/92/44/82/599924482.db2.gz KRLUOUMVRYXJLK-UHFFFAOYSA-N -1 1 396.406 0.903 20 0 GCADMM CC(C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)[O-] ZINC000736339591 599924720 /nfs/dbraw/zinc/92/47/20/599924720.db2.gz TYVZOSVRYCMLMN-UHFFFAOYSA-N -1 1 387.433 0.111 20 0 GCADMM Cc1nc(CN2CCC[C@@H](N(C)[C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2)no1 ZINC000738349394 599963099 /nfs/dbraw/zinc/96/30/99/599963099.db2.gz QEYBZUJHWOCKTH-XJKSGUPXSA-N -1 1 393.488 0.986 20 0 GCADMM CN1CCN(C[C@H]2CN(CC(=O)Nc3ccsc3C(=O)[O-])CCO2)CC1 ZINC000737526919 599970781 /nfs/dbraw/zinc/97/07/81/599970781.db2.gz ZHTVBCUNWBTVPA-ZDUSSCGKSA-N -1 1 382.486 0.333 20 0 GCADMM CCOC(=O)C1=C(CN2CCO[C@H](C(=O)[O-])C2)NC(=O)N[C@H]1c1ccccc1 ZINC000737134408 599971883 /nfs/dbraw/zinc/97/18/83/599971883.db2.gz PPKBCQKIIFEMDS-HOCLYGCPSA-N -1 1 389.408 0.643 20 0 GCADMM COC(=O)c1cc(NC(=O)N[C@@H](C)CN2CCN(C)CC2)cc(C(=O)[O-])c1 ZINC000737662592 600011386 /nfs/dbraw/zinc/01/13/86/600011386.db2.gz QNJQOXVENDTGNZ-LBPRGKRZSA-N -1 1 378.429 0.929 20 0 GCADMM C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736761289 600030470 /nfs/dbraw/zinc/03/04/70/600030470.db2.gz GOIDSWSXSOHAKD-XNJGSVPQSA-N -1 1 386.452 0.866 20 0 GCADMM O=C([O-])[C@H]1CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000738546997 600035853 /nfs/dbraw/zinc/03/58/53/600035853.db2.gz WETXLHAOTVFPGQ-QGZVFWFLSA-N -1 1 376.457 0.694 20 0 GCADMM CCOC(=O)C1=C(CN2C[C@H](O)C[C@H]2C(=O)[O-])NC(=O)N[C@H]1c1ccccc1 ZINC000737135951 600141813 /nfs/dbraw/zinc/14/18/13/600141813.db2.gz ZOFXSEGYNCLRHS-INWMFGNUSA-N -1 1 389.408 0.378 20 0 GCADMM Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000738696038 600158050 /nfs/dbraw/zinc/15/80/50/600158050.db2.gz VTFYLCWQFSGQCD-UHFFFAOYSA-N -1 1 390.484 0.793 20 0 GCADMM O=C([O-])COc1cccc(CNC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000739831608 600188463 /nfs/dbraw/zinc/18/84/63/600188463.db2.gz HLFLVNSVZQUMMJ-DLBZAZTESA-N -1 1 377.441 0.891 20 0 GCADMM O=C([O-])[C@@H]1CC12CCN(C(=O)N[C@H]1CCN(CCN3CCOCC3)C1)CC2 ZINC000739528765 600190631 /nfs/dbraw/zinc/19/06/31/600190631.db2.gz YXLPTRNRYAZZMJ-HOTGVXAUSA-N -1 1 380.489 0.289 20 0 GCADMM Cc1[nH]nc(S(=O)(=O)Nc2cc(S(N)(=O)=O)ccc2F)c1C(=O)[O-] ZINC000738829194 600232827 /nfs/dbraw/zinc/23/28/27/600232827.db2.gz MAMHVGPCVAOOHP-UHFFFAOYSA-N -1 1 378.363 0.004 20 0 GCADMM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000739634921 600248038 /nfs/dbraw/zinc/24/80/38/600248038.db2.gz OYSOLFMKZOPOMX-JTQLQIEISA-N -1 1 381.186 0.741 20 0 GCADMM O=C([O-])c1ccc(CN(CCNC(=O)c2cnc[nH]2)C(=O)c2cnc[nH]2)cc1 ZINC000740123694 600258694 /nfs/dbraw/zinc/25/86/94/600258694.db2.gz HJEUKZNHLHIITA-UHFFFAOYSA-N -1 1 382.380 0.903 20 0 GCADMM CN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000737336008 600274657 /nfs/dbraw/zinc/27/46/57/600274657.db2.gz GTKFKHISSGZBGM-QGZVFWFLSA-N -1 1 384.436 0.959 20 0 GCADMM CN(CC(=O)[O-])C(=O)CCN1CCN(c2ccc(Br)cn2)CC1 ZINC000737400795 600289565 /nfs/dbraw/zinc/28/95/65/600289565.db2.gz AQOZEISOKHCMCK-UHFFFAOYSA-N -1 1 385.262 0.899 20 0 GCADMM COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000737579838 600289682 /nfs/dbraw/zinc/28/96/82/600289682.db2.gz KTNREDIRXFWXLF-QGZVFWFLSA-N -1 1 397.859 0.763 20 0 GCADMM CN(CC(=O)[O-])C(=O)CCN1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000737401485 600292771 /nfs/dbraw/zinc/29/27/71/600292771.db2.gz PFSOIZKONYWSFA-UHFFFAOYSA-N -1 1 383.470 0.316 20 0 GCADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N1CCN(C(=O)c3ccco3)CC1)CC2 ZINC000739533007 600312074 /nfs/dbraw/zinc/31/20/74/600312074.db2.gz SIDLTNHLOVNDHX-CQSZACIVSA-N -1 1 375.425 0.751 20 0 GCADMM CCC[C@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)[O-] ZINC000736962174 600321705 /nfs/dbraw/zinc/32/17/05/600321705.db2.gz ZEFQAGCJADKGLI-SFHVURJKSA-N -1 1 397.497 0.753 20 0 GCADMM CN1CCN(C[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)CCO2)CC1 ZINC000737525707 600347930 /nfs/dbraw/zinc/34/79/30/600347930.db2.gz FSNIBEOUCCYVTD-OAHLLOKOSA-N -1 1 383.470 0.022 20 0 GCADMM C[C@@H](CN(C)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C(=O)[O-] ZINC000736570714 600371193 /nfs/dbraw/zinc/37/11/93/600371193.db2.gz FDQUIXXVIGBTDM-LBPRGKRZSA-N -1 1 396.469 0.748 20 0 GCADMM COc1ccc(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000738028310 600376932 /nfs/dbraw/zinc/37/69/32/600376932.db2.gz NLSXZXDHBMUEJK-LLVKDONJSA-N -1 1 387.458 0.537 20 0 GCADMM CNC(=O)C1(NCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CCCC1 ZINC000737534436 600396766 /nfs/dbraw/zinc/39/67/66/600396766.db2.gz FDHFBZAIDTVYLO-UHFFFAOYSA-N -1 1 377.397 0.758 20 0 GCADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737809998 600470935 /nfs/dbraw/zinc/47/09/35/600470935.db2.gz HAODOLHBCVHLHP-HNNXBMFYSA-N -1 1 378.429 0.620 20 0 GCADMM COCCN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737811429 600471088 /nfs/dbraw/zinc/47/10/88/600471088.db2.gz MEHZZMHOUCFQOK-CJNGLKHVSA-N -1 1 391.424 0.092 20 0 GCADMM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000822005935 607446545 /nfs/dbraw/zinc/44/65/45/607446545.db2.gz VVPKQHLEBZAYGT-LLVKDONJSA-N -1 1 382.428 0.914 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000822005935 607446546 /nfs/dbraw/zinc/44/65/46/607446546.db2.gz 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607592279 /nfs/dbraw/zinc/59/22/79/607592279.db2.gz UNXDBHDUZOMACZ-DTWKUNHWSA-N -1 1 384.849 0.795 20 0 GCADMM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824413309 607593180 /nfs/dbraw/zinc/59/31/80/607593180.db2.gz KMSKFIUHJQBNQV-SECBINFHSA-N -1 1 384.849 0.809 20 0 GCADMM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824413309 607593181 /nfs/dbraw/zinc/59/31/81/607593181.db2.gz KMSKFIUHJQBNQV-SECBINFHSA-N -1 1 384.849 0.809 20 0 GCADMM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826482658 607598052 /nfs/dbraw/zinc/59/80/52/607598052.db2.gz MKWVOJAUYFXESA-JTQLQIEISA-N -1 1 395.420 0.184 20 0 GCADMM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826482658 607598054 /nfs/dbraw/zinc/59/80/54/607598054.db2.gz MKWVOJAUYFXESA-JTQLQIEISA-N -1 1 395.420 0.184 20 0 GCADMM Cc1ccc(-c2nnn(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826273368 607598140 /nfs/dbraw/zinc/59/81/40/607598140.db2.gz AOVAAVNLXAQZBH-UHFFFAOYSA-N -1 1 377.368 0.967 20 0 GCADMM Cc1ccc(-c2nnn(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)n2)cc1 ZINC000826273368 607598142 /nfs/dbraw/zinc/59/81/42/607598142.db2.gz AOVAAVNLXAQZBH-UHFFFAOYSA-N -1 1 377.368 0.967 20 0 GCADMM O=S(=O)(NCCNc1ncccn1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491453 607599519 /nfs/dbraw/zinc/59/95/19/607599519.db2.gz KBQAVUGZEZLEHP-UHFFFAOYSA-N -1 1 380.821 0.701 20 0 GCADMM O=S(=O)(NCCNc1ncccn1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491453 607599520 /nfs/dbraw/zinc/59/95/20/607599520.db2.gz KBQAVUGZEZLEHP-UHFFFAOYSA-N -1 1 380.821 0.701 20 0 GCADMM O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826425550 607599770 /nfs/dbraw/zinc/59/97/70/607599770.db2.gz JGMRWBLNIUXUQF-UHFFFAOYSA-N -1 1 397.326 0.961 20 0 GCADMM O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826425550 607599772 /nfs/dbraw/zinc/59/97/72/607599772.db2.gz JGMRWBLNIUXUQF-UHFFFAOYSA-N -1 1 397.326 0.961 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)NCc1ccco1 ZINC000824640442 607599792 /nfs/dbraw/zinc/59/97/92/607599792.db2.gz ISZMLDUQNLBYBW-SECBINFHSA-N -1 1 394.388 0.582 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)NCc1ccco1 ZINC000824640442 607599795 /nfs/dbraw/zinc/59/97/95/607599795.db2.gz ISZMLDUQNLBYBW-SECBINFHSA-N -1 1 394.388 0.582 20 0 GCADMM CCOC(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825517590 607601681 /nfs/dbraw/zinc/60/16/81/607601681.db2.gz GXNSNZMCCXOTMJ-UHFFFAOYSA-N -1 1 398.420 0.859 20 0 GCADMM CCOC(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825517590 607601683 /nfs/dbraw/zinc/60/16/83/607601683.db2.gz GXNSNZMCCXOTMJ-UHFFFAOYSA-N -1 1 398.420 0.859 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)NC1CCCCC1 ZINC000826413078 607602291 /nfs/dbraw/zinc/60/22/91/607602291.db2.gz PVHXYSYFXPDBGG-UHFFFAOYSA-N -1 1 382.421 0.733 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)NC1CCCCC1 ZINC000826413078 607602293 /nfs/dbraw/zinc/60/22/93/607602293.db2.gz PVHXYSYFXPDBGG-UHFFFAOYSA-N -1 1 382.421 0.733 20 0 GCADMM NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826391977 607605520 /nfs/dbraw/zinc/60/55/20/607605520.db2.gz JTGSYEFXFJXKES-UHFFFAOYSA-N -1 1 385.837 0.295 20 0 GCADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(-c2nn[nH]n2)cc1C ZINC000825565063 607603106 /nfs/dbraw/zinc/60/31/06/607603106.db2.gz LBPJUIJPVZUZIS-UHFFFAOYSA-N -1 1 378.370 0.843 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Nc1ccccc1 ZINC000826413105 607603629 /nfs/dbraw/zinc/60/36/29/607603629.db2.gz RHWYBFVKGBVQIN-UHFFFAOYSA-N -1 1 376.373 0.923 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Nc1ccccc1 ZINC000826413105 607603630 /nfs/dbraw/zinc/60/36/30/607603630.db2.gz RHWYBFVKGBVQIN-UHFFFAOYSA-N -1 1 376.373 0.923 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(C2OCCO2)CC1 ZINC000826496491 607604287 /nfs/dbraw/zinc/60/42/87/607604287.db2.gz XXSXFOJMPBJQRG-UHFFFAOYSA-N -1 1 383.405 0.779 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(C2OCCO2)CC1 ZINC000826496491 607604288 /nfs/dbraw/zinc/60/42/88/607604288.db2.gz XXSXFOJMPBJQRG-UHFFFAOYSA-N -1 1 383.405 0.779 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCC[C@H]1C1OCCO1 ZINC000826495047 607604362 /nfs/dbraw/zinc/60/43/62/607604362.db2.gz ARMMHLWFLUZAGL-LBPRGKRZSA-N -1 1 383.405 0.922 20 0 GCADMM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825841266 607604825 /nfs/dbraw/zinc/60/48/25/607604825.db2.gz UNUBPWDUOIJDQC-SECBINFHSA-N -1 1 386.434 0.158 20 0 GCADMM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825841266 607604827 /nfs/dbraw/zinc/60/48/27/607604827.db2.gz UNUBPWDUOIJDQC-SECBINFHSA-N -1 1 386.434 0.158 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H](C)N1CCOCC1 ZINC000824640210 607610079 /nfs/dbraw/zinc/61/00/79/607610079.db2.gz CWSLKGFCQRAENX-QWRGUYRKSA-N -1 1 384.437 0.393 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nnc2n1CCC2 ZINC000824640622 607610966 /nfs/dbraw/zinc/61/09/66/607610966.db2.gz MMDPDKNNBNFVFR-MRVPVSSYSA-N -1 1 378.393 0.583 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nnc2n1CCC2 ZINC000824640622 607610968 /nfs/dbraw/zinc/61/09/68/607610968.db2.gz MMDPDKNNBNFVFR-MRVPVSSYSA-N -1 1 378.393 0.583 20 0 GCADMM CC[S@](=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825669457 607612888 /nfs/dbraw/zinc/61/28/88/607612888.db2.gz YFWWMGMRMFGZHJ-DEOSSOPVSA-N -1 1 397.404 0.932 20 0 GCADMM CN(C)C(=O)C1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCC1 ZINC000825833307 607614631 /nfs/dbraw/zinc/61/46/31/607614631.db2.gz FVIXONIQANMCJA-UHFFFAOYSA-N -1 1 396.448 0.933 20 0 GCADMM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826157880 607615385 /nfs/dbraw/zinc/61/53/85/607615385.db2.gz PRZIEDSQFKWDRJ-UHFFFAOYSA-N -1 1 389.821 0.330 20 0 GCADMM CC(C)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1=O ZINC000824296959 607615930 /nfs/dbraw/zinc/61/59/30/607615930.db2.gz MYCOEYNUIMSNNB-SNVBAGLBSA-N -1 1 384.849 0.808 20 0 GCADMM CC(C)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1=O ZINC000824296959 607615932 /nfs/dbraw/zinc/61/59/32/607615932.db2.gz MYCOEYNUIMSNNB-SNVBAGLBSA-N -1 1 384.849 0.808 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1ncccc1C(F)(F)F ZINC000826425701 607617675 /nfs/dbraw/zinc/61/76/75/607617675.db2.gz PKQPXNQZOHQCJC-UHFFFAOYSA-N -1 1 383.294 0.067 20 0 GCADMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824859187 607619546 /nfs/dbraw/zinc/61/95/46/607619546.db2.gz NUUXQEHHMVJMCR-BDAKNGLRSA-N -1 1 389.434 0.202 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCS1(=O)=O ZINC000824994887 607619646 /nfs/dbraw/zinc/61/96/46/607619646.db2.gz WNEJGHUCSPMKIG-MRVPVSSYSA-N -1 1 391.862 0.328 20 0 GCADMM C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCS1(=O)=O ZINC000824859188 607619929 /nfs/dbraw/zinc/61/99/29/607619929.db2.gz NUUXQEHHMVJMCR-DTWKUNHWSA-N -1 1 389.434 0.202 20 0 GCADMM CCc1ncc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000825749305 607620059 /nfs/dbraw/zinc/62/00/59/607620059.db2.gz BNJFNQBDPNATFW-NSHDSACASA-N -1 1 395.431 0.752 20 0 GCADMM CCc1ncc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000825749305 607620060 /nfs/dbraw/zinc/62/00/60/607620060.db2.gz BNJFNQBDPNATFW-NSHDSACASA-N -1 1 395.431 0.752 20 0 GCADMM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826389624 607621865 /nfs/dbraw/zinc/62/18/65/607621865.db2.gz COXAKWFFBHKOFM-RKDXNWHRSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826389624 607621867 /nfs/dbraw/zinc/62/18/67/607621867.db2.gz COXAKWFFBHKOFM-RKDXNWHRSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826389623 607622010 /nfs/dbraw/zinc/62/20/10/607622010.db2.gz COXAKWFFBHKOFM-IUCAKERBSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826389623 607622012 /nfs/dbraw/zinc/62/20/12/607622012.db2.gz COXAKWFFBHKOFM-IUCAKERBSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826389622 607622365 /nfs/dbraw/zinc/62/23/65/607622365.db2.gz COXAKWFFBHKOFM-DTWKUNHWSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826389622 607622367 /nfs/dbraw/zinc/62/23/67/607622367.db2.gz COXAKWFFBHKOFM-DTWKUNHWSA-N -1 1 384.849 0.843 20 0 GCADMM O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487409 607624132 /nfs/dbraw/zinc/62/41/32/607624132.db2.gz NWRZDEUVSLTGLD-GFCCVEGCSA-N -1 1 377.401 0.888 20 0 GCADMM O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487409 607624134 /nfs/dbraw/zinc/62/41/34/607624134.db2.gz NWRZDEUVSLTGLD-GFCCVEGCSA-N -1 1 377.401 0.888 20 0 GCADMM COCCN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826158687 607630831 /nfs/dbraw/zinc/63/08/31/607630831.db2.gz YRQMLUGTUZSWQP-UHFFFAOYSA-N -1 1 395.363 0.515 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826494599 607634451 /nfs/dbraw/zinc/63/44/51/607634451.db2.gz JEAKYWIYRMDHTE-NXEZZACHSA-N -1 1 378.336 0.338 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826494599 607634453 /nfs/dbraw/zinc/63/44/53/607634453.db2.gz JEAKYWIYRMDHTE-NXEZZACHSA-N -1 1 378.336 0.338 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H](OCCO)C1 ZINC000826495667 607635291 /nfs/dbraw/zinc/63/52/91/607635291.db2.gz WKDDMOMQNCIBTB-SNVBAGLBSA-N -1 1 387.849 0.682 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H](OCCO)C1 ZINC000826495667 607635292 /nfs/dbraw/zinc/63/52/92/607635292.db2.gz WKDDMOMQNCIBTB-SNVBAGLBSA-N -1 1 387.849 0.682 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)c1ccc(F)cc1 ZINC000824640491 607636450 /nfs/dbraw/zinc/63/64/50/607636450.db2.gz JTNJUVWEBJFXKU-OTYXRUKQSA-N -1 1 378.389 0.801 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)c1ccc(F)cc1 ZINC000824640491 607636451 /nfs/dbraw/zinc/63/64/51/607636451.db2.gz JTNJUVWEBJFXKU-OTYXRUKQSA-N -1 1 378.389 0.801 20 0 GCADMM O=S(=O)(NC[C@H](O)C1CCOCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489344 607640025 /nfs/dbraw/zinc/64/00/25/607640025.db2.gz MVTYDGPNOGRJON-NSHDSACASA-N -1 1 387.849 0.586 20 0 GCADMM O=S(=O)(NC[C@H](O)C1CCOCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489344 607640026 /nfs/dbraw/zinc/64/00/26/607640026.db2.gz MVTYDGPNOGRJON-NSHDSACASA-N -1 1 387.849 0.586 20 0 GCADMM Cc1cccc(S(=O)(=O)Oc2ccc(OCC(N)=O)cc2)c1-c1nn[n-]n1 ZINC000826304780 607640311 /nfs/dbraw/zinc/64/03/11/607640311.db2.gz XVNKFMAGGGMKTB-UHFFFAOYSA-N -1 1 389.393 0.807 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOC[C@H]1C(F)(F)F ZINC000826496196 607640926 /nfs/dbraw/zinc/64/09/26/607640926.db2.gz OBRKPCVGMHOKQA-VIFPVBQESA-N -1 1 381.311 0.958 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOC[C@H]1C(F)(F)F ZINC000826496196 607640928 /nfs/dbraw/zinc/64/09/28/607640928.db2.gz OBRKPCVGMHOKQA-VIFPVBQESA-N -1 1 381.311 0.958 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOC[C@@H]1C(F)(F)F ZINC000826496195 607641021 /nfs/dbraw/zinc/64/10/21/607641021.db2.gz OBRKPCVGMHOKQA-SECBINFHSA-N -1 1 381.311 0.958 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOC[C@@H]1C(F)(F)F ZINC000826496195 607641023 /nfs/dbraw/zinc/64/10/23/607641023.db2.gz OBRKPCVGMHOKQA-SECBINFHSA-N -1 1 381.311 0.958 20 0 GCADMM O=S(=O)(NC[C@H](O)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488868 607643198 /nfs/dbraw/zinc/64/31/98/607643198.db2.gz AYYKNCCCLYCQPB-LBPRGKRZSA-N -1 1 382.352 0.552 20 0 GCADMM O=S(=O)(NC[C@H](O)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488868 607643200 /nfs/dbraw/zinc/64/32/00/607643200.db2.gz AYYKNCCCLYCQPB-LBPRGKRZSA-N -1 1 382.352 0.552 20 0 GCADMM O=S(=O)(NC[C@H](O)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489266 607643486 /nfs/dbraw/zinc/64/34/86/607643486.db2.gz LHFNCOSJFDFPQF-ZDUSSCGKSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(NC[C@H](O)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489266 607643488 /nfs/dbraw/zinc/64/34/88/607643488.db2.gz LHFNCOSJFDFPQF-ZDUSSCGKSA-N -1 1 380.817 0.927 20 0 GCADMM CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000825582756 607643995 /nfs/dbraw/zinc/64/39/95/607643995.db2.gz MPWINOLEVLTIEO-ZIAGYGMSSA-N -1 1 394.457 0.202 20 0 GCADMM CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000825582756 607643997 /nfs/dbraw/zinc/64/39/97/607643997.db2.gz MPWINOLEVLTIEO-ZIAGYGMSSA-N -1 1 394.457 0.202 20 0 GCADMM CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000825582754 607644102 /nfs/dbraw/zinc/64/41/02/607644102.db2.gz MPWINOLEVLTIEO-KGLIPLIRSA-N -1 1 394.457 0.202 20 0 GCADMM CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000825582754 607644104 /nfs/dbraw/zinc/64/41/04/607644104.db2.gz MPWINOLEVLTIEO-KGLIPLIRSA-N -1 1 394.457 0.202 20 0 GCADMM COc1cccc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826215691 607645706 /nfs/dbraw/zinc/64/57/06/607645706.db2.gz WIOJATHJKLLCML-CQSZACIVSA-N -1 1 376.398 0.282 20 0 GCADMM COc1cccc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826215691 607645707 /nfs/dbraw/zinc/64/57/07/607645707.db2.gz WIOJATHJKLLCML-CQSZACIVSA-N -1 1 376.398 0.282 20 0 GCADMM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1=O ZINC000824899423 607653410 /nfs/dbraw/zinc/65/34/10/607653410.db2.gz JQBWEFHKZXYCSJ-HLUHBDAQSA-N -1 1 380.405 0.293 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826495354 607653878 /nfs/dbraw/zinc/65/38/78/607653878.db2.gz MVDRRIWWXOMDMS-NSHDSACASA-N -1 1 381.311 0.694 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1CN1CCOCC1 ZINC000826495629 607651512 /nfs/dbraw/zinc/65/15/12/607651512.db2.gz VHNFDUCDDLREED-ZDUSSCGKSA-N -1 1 396.448 0.491 20 0 GCADMM CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000825499714 607652326 /nfs/dbraw/zinc/65/23/26/607652326.db2.gz RXBPTEPOTHWCDT-UHFFFAOYSA-N -1 1 399.404 0.085 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCN1C[C@H](C)O ZINC000825209850 607652508 /nfs/dbraw/zinc/65/25/08/607652508.db2.gz DAEDKEBKVLDMHO-NWDGAFQWSA-N -1 1 398.464 0.472 20 0 GCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825564602 607656171 /nfs/dbraw/zinc/65/61/71/607656171.db2.gz AWIFGZSJKLYULM-SECBINFHSA-N -1 1 391.413 0.806 20 0 GCADMM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826480025 607661175 /nfs/dbraw/zinc/66/11/75/607661175.db2.gz PAUPAWKINTYGAT-BDAKNGLRSA-N -1 1 382.833 0.562 20 0 GCADMM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826480025 607661177 /nfs/dbraw/zinc/66/11/77/607661177.db2.gz PAUPAWKINTYGAT-BDAKNGLRSA-N -1 1 382.833 0.562 20 0 GCADMM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826390158 607663224 /nfs/dbraw/zinc/66/32/24/607663224.db2.gz RGKGRNQUVPIYQD-WPRPVWTQSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826390158 607663225 /nfs/dbraw/zinc/66/32/25/607663225.db2.gz RGKGRNQUVPIYQD-WPRPVWTQSA-N -1 1 384.849 0.843 20 0 GCADMM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826329241 607666443 /nfs/dbraw/zinc/66/64/43/607666443.db2.gz VQPDKNVUHBKBQN-JTQLQIEISA-N -1 1 378.393 0.719 20 0 GCADMM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826329241 607666445 /nfs/dbraw/zinc/66/64/45/607666445.db2.gz VQPDKNVUHBKBQN-JTQLQIEISA-N -1 1 378.393 0.719 20 0 GCADMM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824440612 607666715 /nfs/dbraw/zinc/66/67/15/607666715.db2.gz HAWKUQNTMYNXCC-NXEZZACHSA-N -1 1 387.849 0.992 20 0 GCADMM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824440612 607666717 /nfs/dbraw/zinc/66/67/17/607666717.db2.gz HAWKUQNTMYNXCC-NXEZZACHSA-N -1 1 387.849 0.992 20 0 GCADMM COC[C@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC000826148769 607669376 /nfs/dbraw/zinc/66/93/76/607669376.db2.gz QJFQNOVNSNQZMB-ZDUSSCGKSA-N -1 1 389.821 0.377 20 0 GCADMM COC[C@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC000826148769 607669377 /nfs/dbraw/zinc/66/93/77/607669377.db2.gz QJFQNOVNSNQZMB-ZDUSSCGKSA-N -1 1 389.821 0.377 20 0 GCADMM CN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C(C)(C)C1=O ZINC000826038450 607669688 /nfs/dbraw/zinc/66/96/88/607669688.db2.gz OZTJUTHTHQGXJM-UHFFFAOYSA-N -1 1 384.849 0.761 20 0 GCADMM CN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C(C)(C)C1=O ZINC000826038450 607669689 /nfs/dbraw/zinc/66/96/89/607669689.db2.gz OZTJUTHTHQGXJM-UHFFFAOYSA-N -1 1 384.849 0.761 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]2CCCC[C@@H]2N1 ZINC000826481331 607671414 /nfs/dbraw/zinc/67/14/14/607671414.db2.gz PZZWANYOCPHNBX-QWRGUYRKSA-N -1 1 396.860 0.952 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]2CCCC[C@@H]2N1 ZINC000826481331 607671416 /nfs/dbraw/zinc/67/14/16/607671416.db2.gz PZZWANYOCPHNBX-QWRGUYRKSA-N -1 1 396.860 0.952 20 0 GCADMM CC(C)N1C(=O)N[C@@]2(CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)C1=O ZINC000824296535 607675723 /nfs/dbraw/zinc/67/57/23/607675723.db2.gz IQFDCCYJBFHTCH-GOSISDBHSA-N -1 1 393.411 0.719 20 0 GCADMM CC(C)N1C(=O)N[C@@]2(CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)C1=O ZINC000824296535 607675725 /nfs/dbraw/zinc/67/57/25/607675725.db2.gz IQFDCCYJBFHTCH-GOSISDBHSA-N -1 1 393.411 0.719 20 0 GCADMM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489960 607675814 /nfs/dbraw/zinc/67/58/14/607675814.db2.gz FUMKQRYEICYCFR-MRVPVSSYSA-N -1 1 391.862 0.376 20 0 GCADMM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489960 607675816 /nfs/dbraw/zinc/67/58/16/607675816.db2.gz FUMKQRYEICYCFR-MRVPVSSYSA-N -1 1 391.862 0.376 20 0 GCADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1cnn([C@H]2CCOC2)c1 ZINC000826492461 607683794 /nfs/dbraw/zinc/68/37/94/607683794.db2.gz MDMNDXIHCHHSNA-JTQLQIEISA-N -1 1 379.377 0.965 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)c2ccccc2Br)c1=O ZINC000826356562 607687545 /nfs/dbraw/zinc/68/75/45/607687545.db2.gz WKIIKQBEBFLBGG-LLVKDONJSA-N -1 1 393.201 0.223 20 0 GCADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000827000076 604436454 /nfs/dbraw/zinc/43/64/54/604436454.db2.gz AETLYZQOCOFKBE-OAHLLOKOSA-N -1 1 389.408 0.595 20 0 GCADMM CNc1nc(N2CCC[C@@H]2CC(=O)OC)nc(N2CCC[C@H]2CC(=O)[O-])n1 ZINC000831046254 604468978 /nfs/dbraw/zinc/46/89/78/604468978.db2.gz CFURVHHBXPIVJY-NWDGAFQWSA-N -1 1 378.433 0.311 20 0 GCADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCO[C@H](CN3CCN(C)CC3)C2)c1 ZINC000832049930 604470997 /nfs/dbraw/zinc/47/09/97/604470997.db2.gz LDUGRAUQEAFBCP-MOPGFXCFSA-N -1 1 393.484 0.778 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC[C@@H]1N1CCN(C)CC1 ZINC000833631829 604701515 /nfs/dbraw/zinc/70/15/15/604701515.db2.gz SJQNERIOGPPDQV-BBRMVZONSA-N -1 1 382.486 0.426 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@H]3CC(=O)[O-])cc2)[nH]1 ZINC000831188969 604750277 /nfs/dbraw/zinc/75/02/77/604750277.db2.gz MMASVGWRRXJOKD-OAHLLOKOSA-N -1 1 387.392 0.960 20 0 GCADMM CCOC(=O)CCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825512137 607715759 /nfs/dbraw/zinc/71/57/59/607715759.db2.gz VKNYOHJFRFHIKU-UHFFFAOYSA-N -1 1 399.411 0.345 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000833767915 604839897 /nfs/dbraw/zinc/83/98/97/604839897.db2.gz VDHSXQVESUGCFK-RNCFNFMXSA-N -1 1 378.335 0.853 20 0 GCADMM CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)C(=O)[O-] ZINC000424436561 604923293 /nfs/dbraw/zinc/92/32/93/604923293.db2.gz LSHQMSPQHMITCI-VIFPVBQESA-N -1 1 375.385 0.463 20 0 GCADMM O=C([O-])Cn1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 ZINC000833275237 604958014 /nfs/dbraw/zinc/95/80/14/604958014.db2.gz BYKKMQRVLPUPIA-JKSUJKDBSA-N -1 1 387.440 0.972 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833402451 604982087 /nfs/dbraw/zinc/98/20/87/604982087.db2.gz MQOWKUWWDUJPAT-QIIPPGSGSA-N -1 1 392.452 0.831 20 0 GCADMM C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833404908 604983309 /nfs/dbraw/zinc/98/33/09/604983309.db2.gz VPZUIJLZYUFBMK-CJNGLKHVSA-N -1 1 393.440 0.110 20 0 GCADMM C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833405530 604984868 /nfs/dbraw/zinc/98/48/68/604984868.db2.gz WHZJELJTPYQIGO-SCLBCKFNSA-N -1 1 392.452 0.663 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCNC(=O)c1ccccc1F ZINC000833627145 605056163 /nfs/dbraw/zinc/05/61/63/605056163.db2.gz UQWYNQWYCCFXQJ-ZDUSSCGKSA-N -1 1 380.420 0.746 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000833625119 605100033 /nfs/dbraw/zinc/10/00/33/605100033.db2.gz WPPHKHBPVRGTIX-UONOGXRCSA-N -1 1 385.461 0.630 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000833624604 605109694 /nfs/dbraw/zinc/10/96/94/605109694.db2.gz JIQHQIMIBQUINB-NSHDSACASA-N -1 1 387.433 0.818 20 0 GCADMM CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC000833504348 605157370 /nfs/dbraw/zinc/15/73/70/605157370.db2.gz GXWAPPNNQBLZNR-CQSZACIVSA-N -1 1 397.497 0.994 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000833626661 605161999 /nfs/dbraw/zinc/16/19/99/605161999.db2.gz QWXWAUKRONMQKU-CJNGLKHVSA-N -1 1 387.436 0.513 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000833618572 605165116 /nfs/dbraw/zinc/16/51/16/605165116.db2.gz DAZAAIUKUGQMBS-BBRMVZONSA-N -1 1 387.440 0.114 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000833628536 605187488 /nfs/dbraw/zinc/18/74/88/605187488.db2.gz KGELFNYRWPRBFE-CYBMUJFWSA-N -1 1 394.497 0.683 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000833628730 605200147 /nfs/dbraw/zinc/20/01/47/605200147.db2.gz OSRZYIZZQCRECQ-GFCCVEGCSA-N -1 1 391.407 0.221 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000833623128 605205426 /nfs/dbraw/zinc/20/54/26/605205426.db2.gz DOLDAGHCQMLJRW-CWTRNNRKSA-N -1 1 388.424 0.362 20 0 GCADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc(S(N)(=O)=O)c1C ZINC000833742156 605206122 /nfs/dbraw/zinc/20/61/22/605206122.db2.gz GJTPWTKRIYADMX-GFCCVEGCSA-N -1 1 383.470 0.572 20 0 GCADMM CCS(=O)(=O)NCc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833665821 605208544 /nfs/dbraw/zinc/20/85/44/605208544.db2.gz OGOSZZMGVRDWPO-AWEZNQCLSA-N -1 1 397.497 0.747 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CCN1CCC(=O)[O-] ZINC000833623779 605252673 /nfs/dbraw/zinc/25/26/73/605252673.db2.gz QVNFPWPRJOROPG-CZUORRHYSA-N -1 1 387.436 0.513 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826496124 607744492 /nfs/dbraw/zinc/74/44/92/607744492.db2.gz LWWGAFNSXCNEJD-LLVKDONJSA-N -1 1 392.420 0.698 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826496124 607744493 /nfs/dbraw/zinc/74/44/93/607744493.db2.gz LWWGAFNSXCNEJD-LLVKDONJSA-N -1 1 392.420 0.698 20 0 GCADMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824886418 607767994 /nfs/dbraw/zinc/76/79/94/607767994.db2.gz YPEJKQCRSVANLS-GHMZBOCLSA-N -1 1 391.436 0.220 20 0 GCADMM COC(=O)[C@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)[C@H](C(=O)[O-])C1 ZINC000833706453 605681092 /nfs/dbraw/zinc/68/10/92/605681092.db2.gz HFIVTPVUBSLGLU-JQWIXIFHSA-N -1 1 381.410 0.347 20 0 GCADMM COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000833724436 605919541 /nfs/dbraw/zinc/91/95/41/605919541.db2.gz MUPIHLVVINJBLR-SNVBAGLBSA-N -1 1 385.367 0.829 20 0 GCADMM Cc1cc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])n[nH]1 ZINC000833745754 605921175 /nfs/dbraw/zinc/92/11/75/605921175.db2.gz SOIBJDICEIHGEG-UHFFFAOYSA-N -1 1 387.396 0.508 20 0 GCADMM CON(C)C(=O)CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000821696488 606101132 /nfs/dbraw/zinc/10/11/32/606101132.db2.gz FHFXUQVGIQPPDT-UHFFFAOYSA-N -1 1 388.388 0.257 20 0 GCADMM CCOc1ccc(-n2ncc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c2C)nn1 ZINC000821418093 606114929 /nfs/dbraw/zinc/11/49/29/606114929.db2.gz VXVCTSXUNYPKCP-UHFFFAOYSA-N -1 1 381.360 0.017 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000819789755 606132098 /nfs/dbraw/zinc/13/20/98/606132098.db2.gz XCRFUPJYGFKTCH-KRWDZBQOSA-N -1 1 390.400 0.817 20 0 GCADMM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821655661 606137540 /nfs/dbraw/zinc/13/75/40/606137540.db2.gz OYUSXDVHOHZSGP-VIFPVBQESA-N -1 1 393.425 0.885 20 0 GCADMM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821655661 606137542 /nfs/dbraw/zinc/13/75/42/606137542.db2.gz OYUSXDVHOHZSGP-VIFPVBQESA-N -1 1 393.425 0.885 20 0 GCADMM CC[C@@H](C)[C@H](O)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820859688 606147555 /nfs/dbraw/zinc/14/75/55/606147555.db2.gz GONNVGGLQCHGCG-ABAIWWIYSA-N -1 1 399.411 0.941 20 0 GCADMM CC[C@@H](C)[C@H](O)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820859688 606147557 /nfs/dbraw/zinc/14/75/57/606147557.db2.gz GONNVGGLQCHGCG-ABAIWWIYSA-N -1 1 399.411 0.941 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)n1 ZINC000822620517 606154918 /nfs/dbraw/zinc/15/49/18/606154918.db2.gz UTNLIAATDAQSDQ-UHFFFAOYSA-N -1 1 388.413 0.392 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)n1 ZINC000822620517 606154920 /nfs/dbraw/zinc/15/49/20/606154920.db2.gz UTNLIAATDAQSDQ-UHFFFAOYSA-N -1 1 388.413 0.392 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1 ZINC000822609128 606157591 /nfs/dbraw/zinc/15/75/91/606157591.db2.gz KHNPHQUSILFMIR-CYBMUJFWSA-N -1 1 381.400 0.695 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)n1 ZINC000822609128 606157593 /nfs/dbraw/zinc/15/75/93/606157593.db2.gz KHNPHQUSILFMIR-CYBMUJFWSA-N -1 1 381.400 0.695 20 0 GCADMM CCc1cc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)ncn1 ZINC000821469288 606158362 /nfs/dbraw/zinc/15/83/62/606158362.db2.gz BJNUQCVWSKHKDF-GFCCVEGCSA-N -1 1 397.447 0.743 20 0 GCADMM CCc1cc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)ncn1 ZINC000821469288 606158364 /nfs/dbraw/zinc/15/83/64/606158364.db2.gz BJNUQCVWSKHKDF-GFCCVEGCSA-N -1 1 397.447 0.743 20 0 GCADMM Cc1ccc(N(C)C2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)nn1 ZINC000822241199 606161371 /nfs/dbraw/zinc/16/13/71/606161371.db2.gz OBMLSJRCVBJAGD-UHFFFAOYSA-N -1 1 397.447 0.831 20 0 GCADMM Cc1ccc(N(C)C2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)nn1 ZINC000822241199 606161373 /nfs/dbraw/zinc/16/13/73/606161373.db2.gz OBMLSJRCVBJAGD-UHFFFAOYSA-N -1 1 397.447 0.831 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)n1 ZINC000822614884 606164292 /nfs/dbraw/zinc/16/42/92/606164292.db2.gz VYUZPZTZVNCUIQ-OAHLLOKOSA-N -1 1 378.343 0.908 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)n1 ZINC000822614884 606164294 /nfs/dbraw/zinc/16/42/94/606164294.db2.gz VYUZPZTZVNCUIQ-OAHLLOKOSA-N -1 1 378.343 0.908 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)COc2cccc(F)c2)n1 ZINC000822614761 606164626 /nfs/dbraw/zinc/16/46/26/606164626.db2.gz RIXBQGKADSFBLO-JTQLQIEISA-N -1 1 376.352 0.301 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)COc2cccc(F)c2)n1 ZINC000822614761 606164627 /nfs/dbraw/zinc/16/46/27/606164627.db2.gz RIXBQGKADSFBLO-JTQLQIEISA-N -1 1 376.352 0.301 20 0 GCADMM CN(C)C(=O)COc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821578175 606165970 /nfs/dbraw/zinc/16/59/70/606165970.db2.gz QXCYEZNQRJITOE-UHFFFAOYSA-N -1 1 385.388 0.711 20 0 GCADMM CN(C)C(=O)COc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821578175 606165971 /nfs/dbraw/zinc/16/59/71/606165971.db2.gz QXCYEZNQRJITOE-UHFFFAOYSA-N -1 1 385.388 0.711 20 0 GCADMM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820010651 606166572 /nfs/dbraw/zinc/16/65/72/606166572.db2.gz BJUYQQNDOJJEAO-NSHDSACASA-N -1 1 375.437 0.616 20 0 GCADMM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820010651 606166573 /nfs/dbraw/zinc/16/65/73/606166573.db2.gz BJUYQQNDOJJEAO-NSHDSACASA-N -1 1 375.437 0.616 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)n1 ZINC000822613176 606167678 /nfs/dbraw/zinc/16/76/78/606167678.db2.gz BRXUVKHDEAJXII-QMMMGPOBSA-N -1 1 394.342 0.440 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)n1 ZINC000822613176 606167679 /nfs/dbraw/zinc/16/76/79/606167679.db2.gz BRXUVKHDEAJXII-QMMMGPOBSA-N -1 1 394.342 0.440 20 0 GCADMM CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821065473 606171077 /nfs/dbraw/zinc/17/10/77/606171077.db2.gz JNOVLSANYPHBST-NSHDSACASA-N -1 1 375.437 0.760 20 0 GCADMM CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821065473 606171079 /nfs/dbraw/zinc/17/10/79/606171079.db2.gz JNOVLSANYPHBST-NSHDSACASA-N -1 1 375.437 0.760 20 0 GCADMM CN(CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000821599300 606173084 /nfs/dbraw/zinc/17/30/84/606173084.db2.gz NXAFTBQQIVJKRE-UHFFFAOYSA-N -1 1 379.425 0.979 20 0 GCADMM CN(CCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000821599300 606173085 /nfs/dbraw/zinc/17/30/85/606173085.db2.gz NXAFTBQQIVJKRE-UHFFFAOYSA-N -1 1 379.425 0.979 20 0 GCADMM CN(C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC000821570786 606333745 /nfs/dbraw/zinc/33/37/45/606333745.db2.gz LEIFFJZSDPOWQT-UHFFFAOYSA-N -1 1 379.446 0.331 20 0 GCADMM CN(C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC000821570786 606333747 /nfs/dbraw/zinc/33/37/47/606333747.db2.gz LEIFFJZSDPOWQT-UHFFFAOYSA-N -1 1 379.446 0.331 20 0 GCADMM CC[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccccc1F ZINC000820909153 606402270 /nfs/dbraw/zinc/40/22/70/606402270.db2.gz UTAZHVDRNGUHPI-JTQLQIEISA-N -1 1 389.391 0.673 20 0 GCADMM CCCCO[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821072228 606402573 /nfs/dbraw/zinc/40/25/73/606402573.db2.gz RZXJSWNRMHLJLS-MNOVXSKESA-N -1 1 377.449 0.660 20 0 GCADMM CCCCO[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821072231 606402926 /nfs/dbraw/zinc/40/29/26/606402926.db2.gz RZXJSWNRMHLJLS-QWRGUYRKSA-N -1 1 377.449 0.660 20 0 GCADMM CCCCO[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821072225 606402929 /nfs/dbraw/zinc/40/29/29/606402929.db2.gz RZXJSWNRMHLJLS-GHMZBOCLSA-N -1 1 377.449 0.660 20 0 GCADMM CCCCO[C@H]1C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821071728 606422229 /nfs/dbraw/zinc/42/22/29/606422229.db2.gz KRWNQEZTGJRRLX-RYUDHWBXSA-N -1 1 391.476 0.684 20 0 GCADMM CCO[C@@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(CC)CC ZINC000821357194 606430315 /nfs/dbraw/zinc/43/03/15/606430315.db2.gz BAGSAAXCTZNZCF-VXGBXAGGSA-N -1 1 391.476 0.684 20 0 GCADMM Cc1ccc(-n2nnnc2N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000822225344 606443945 /nfs/dbraw/zinc/44/39/45/606443945.db2.gz ZMKFIQXGWMEIMR-UHFFFAOYSA-N -1 1 380.420 0.525 20 0 GCADMM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000821620442 606444670 /nfs/dbraw/zinc/44/46/70/606444670.db2.gz JYERGZLLYZBURZ-AYVTZFPOSA-N -1 1 375.414 0.379 20 0 GCADMM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821620442 606444672 /nfs/dbraw/zinc/44/46/72/606444672.db2.gz JYERGZLLYZBURZ-AYVTZFPOSA-N -1 1 375.414 0.379 20 0 GCADMM CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821616792 606472783 /nfs/dbraw/zinc/47/27/83/606472783.db2.gz HNXWQKRVOLKWTC-UHFFFAOYSA-N -1 1 399.396 0.527 20 0 GCADMM CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821616792 606472784 /nfs/dbraw/zinc/47/27/84/606472784.db2.gz HNXWQKRVOLKWTC-UHFFFAOYSA-N -1 1 399.396 0.527 20 0 GCADMM Cn1cc([C@H]2[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000821619464 606516536 /nfs/dbraw/zinc/51/65/36/606516536.db2.gz YLGHKUGVCLSLEH-BBRMVZONSA-N -1 1 396.411 0.648 20 0 GCADMM Cn1cc([C@H]2[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000821619464 606516537 /nfs/dbraw/zinc/51/65/37/606516537.db2.gz YLGHKUGVCLSLEH-BBRMVZONSA-N -1 1 396.411 0.648 20 0 GCADMM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819854903 606521074 /nfs/dbraw/zinc/52/10/74/606521074.db2.gz CWZOMYKHPYUVMS-JTQLQIEISA-N -1 1 375.458 0.353 20 0 GCADMM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819854903 606521076 /nfs/dbraw/zinc/52/10/76/606521076.db2.gz CWZOMYKHPYUVMS-JTQLQIEISA-N -1 1 375.458 0.353 20 0 GCADMM CS(=O)(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC000821933283 606521420 /nfs/dbraw/zinc/52/14/20/606521420.db2.gz ZFPHGVVGVTWDNR-UHFFFAOYSA-N -1 1 384.487 0.910 20 0 GCADMM CS(=O)(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC000821933283 606521421 /nfs/dbraw/zinc/52/14/21/606521421.db2.gz ZFPHGVVGVTWDNR-UHFFFAOYSA-N -1 1 384.487 0.910 20 0 GCADMM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000822885411 606566807 /nfs/dbraw/zinc/56/68/07/606566807.db2.gz OOHSXRQQWLFVQK-UHFFFAOYSA-N -1 1 383.437 0.990 20 0 GCADMM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000822885411 606566808 /nfs/dbraw/zinc/56/68/08/606566808.db2.gz OOHSXRQQWLFVQK-UHFFFAOYSA-N -1 1 383.437 0.990 20 0 GCADMM C[C@]1(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)NC(=O)NC1=O ZINC000820612920 606579022 /nfs/dbraw/zinc/57/90/22/606579022.db2.gz NRFQGRXLIVKSJJ-OAHLLOKOSA-N -1 1 375.414 0.379 20 0 GCADMM C[C@]1(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)NC(=O)NC1=O ZINC000820612920 606579023 /nfs/dbraw/zinc/57/90/23/606579023.db2.gz NRFQGRXLIVKSJJ-OAHLLOKOSA-N -1 1 375.414 0.379 20 0 GCADMM COCCOCCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821692950 606581228 /nfs/dbraw/zinc/58/12/28/606581228.db2.gz KTWKNMPNDXFASC-UHFFFAOYSA-N -1 1 378.433 0.686 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820451556 606592173 /nfs/dbraw/zinc/59/21/73/606592173.db2.gz VVXTUMWWZDERFY-BHDSKKPTSA-N -1 1 383.412 0.629 20 0 GCADMM COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821842607 606596198 /nfs/dbraw/zinc/59/61/98/606596198.db2.gz TZFVLOAFZCCMAG-LBPRGKRZSA-N -1 1 388.388 0.473 20 0 GCADMM COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821842607 606596200 /nfs/dbraw/zinc/59/62/00/606596200.db2.gz TZFVLOAFZCCMAG-LBPRGKRZSA-N -1 1 388.388 0.473 20 0 GCADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC000819876033 606603492 /nfs/dbraw/zinc/60/34/92/606603492.db2.gz DDFGIVHFXBEYOD-VIFPVBQESA-N -1 1 375.414 0.746 20 0 GCADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(S(C)(=O)=O)cc1 ZINC000819876033 606603493 /nfs/dbraw/zinc/60/34/93/606603493.db2.gz DDFGIVHFXBEYOD-VIFPVBQESA-N -1 1 375.414 0.746 20 0 GCADMM C[C@H](CCO)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000820249111 606611071 /nfs/dbraw/zinc/61/10/71/606611071.db2.gz RDLIZYUICSCHBR-LLVKDONJSA-N -1 1 397.395 0.880 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ccc(C(N)=O)nc1 ZINC000822004591 606622946 /nfs/dbraw/zinc/62/29/46/606622946.db2.gz JIARHBJYCUGXDB-UHFFFAOYSA-N -1 1 396.411 0.327 20 0 GCADMM C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC000819858138 606625716 /nfs/dbraw/zinc/62/57/16/606625716.db2.gz ZQJVVJQZXDVTMU-NSHDSACASA-N -1 1 397.443 0.918 20 0 GCADMM Nc1nsc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000822911807 606637420 /nfs/dbraw/zinc/63/74/20/606637420.db2.gz AIRNYWUORIHLOA-UHFFFAOYSA-N -1 1 381.429 0.570 20 0 GCADMM Nc1nsc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000822911807 606637421 /nfs/dbraw/zinc/63/74/21/606637421.db2.gz AIRNYWUORIHLOA-UHFFFAOYSA-N -1 1 381.429 0.570 20 0 GCADMM CC(C)(C)OC(=O)NCCOCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819939367 606647819 /nfs/dbraw/zinc/64/78/19/606647819.db2.gz AGJCYFGNTRZITP-UHFFFAOYSA-N -1 1 378.389 0.846 20 0 GCADMM CC(C)(C)OC(=O)NCCOCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819939367 606647820 /nfs/dbraw/zinc/64/78/20/606647820.db2.gz AGJCYFGNTRZITP-UHFFFAOYSA-N -1 1 378.389 0.846 20 0 GCADMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822548822 606651277 /nfs/dbraw/zinc/65/12/77/606651277.db2.gz ORLJWSGVNLGZOJ-UHFFFAOYSA-N -1 1 392.397 0.770 20 0 GCADMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822548822 606651278 /nfs/dbraw/zinc/65/12/78/606651278.db2.gz ORLJWSGVNLGZOJ-UHFFFAOYSA-N -1 1 392.397 0.770 20 0 GCADMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1ccnc(-c3nnn[n-]3)c1)C2=O ZINC000820698368 606653272 /nfs/dbraw/zinc/65/32/72/606653272.db2.gz SYOUJRKDMJSSQW-ZMZPIMSZSA-N -1 1 399.411 0.806 20 0 GCADMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1ccnc(-c3nn[n-]n3)c1)C2=O ZINC000820698368 606653273 /nfs/dbraw/zinc/65/32/73/606653273.db2.gz SYOUJRKDMJSSQW-ZMZPIMSZSA-N -1 1 399.411 0.806 20 0 GCADMM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000819857303 606691331 /nfs/dbraw/zinc/69/13/31/606691331.db2.gz QTPWFPDWYDGRDT-CYBMUJFWSA-N -1 1 384.444 0.030 20 0 GCADMM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000819857303 606691332 /nfs/dbraw/zinc/69/13/32/606691332.db2.gz QTPWFPDWYDGRDT-CYBMUJFWSA-N -1 1 384.444 0.030 20 0 GCADMM Cc1nsc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000822530519 606697248 /nfs/dbraw/zinc/69/72/48/606697248.db2.gz FMHMNWJHZSWOQS-UHFFFAOYSA-N -1 1 375.422 0.114 20 0 GCADMM Cc1nsc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000822530519 606697249 /nfs/dbraw/zinc/69/72/49/606697249.db2.gz FMHMNWJHZSWOQS-UHFFFAOYSA-N -1 1 375.422 0.114 20 0 GCADMM COC(=O)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@@H]1C ZINC000821655563 606698369 /nfs/dbraw/zinc/69/83/69/606698369.db2.gz NKCBYUFMCCHNLQ-OIBJUYFYSA-N -1 1 378.414 0.570 20 0 GCADMM Cc1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(OCC2CC2)c1 ZINC000822238639 606725226 /nfs/dbraw/zinc/72/52/26/606725226.db2.gz PCFYTCVEMSNOGN-UHFFFAOYSA-N -1 1 397.439 0.973 20 0 GCADMM CSCc1cc(F)ccc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821971271 606725267 /nfs/dbraw/zinc/72/52/67/606725267.db2.gz ZWXFNDCVKYBUKT-UHFFFAOYSA-N -1 1 391.432 0.878 20 0 GCADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)C[C@H]21 ZINC000821628992 606738056 /nfs/dbraw/zinc/73/80/56/606738056.db2.gz WANMMJVFTPZIMO-VXGBXAGGSA-N -1 1 384.849 0.224 20 0 GCADMM CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821920718 606738340 /nfs/dbraw/zinc/73/83/40/606738340.db2.gz XKGCTUUAPNPQNV-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@@H]1C ZINC000821657293 606745028 /nfs/dbraw/zinc/74/50/28/606745028.db2.gz LKDSOUFKNZVQBM-KWQFWETISA-N -1 1 385.833 0.950 20 0 GCADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@H]1C ZINC000821657294 606745228 /nfs/dbraw/zinc/74/52/28/606745228.db2.gz LKDSOUFKNZVQBM-LDYMZIIASA-N -1 1 385.833 0.950 20 0 GCADMM O=S(=O)(N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572723 606745487 /nfs/dbraw/zinc/74/54/87/606745487.db2.gz LGDAOUPOIOCGTM-SNVBAGLBSA-N -1 1 390.404 0.353 20 0 GCADMM O=S(=O)(N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572723 606745488 /nfs/dbraw/zinc/74/54/88/606745488.db2.gz LGDAOUPOIOCGTM-SNVBAGLBSA-N -1 1 390.404 0.353 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncncc1Br ZINC000821601329 606757074 /nfs/dbraw/zinc/75/70/74/606757074.db2.gz BNRZHHJAZVJEOS-UHFFFAOYSA-N -1 1 379.226 0.794 20 0 GCADMM CNS(=O)(=O)c1ccc(C)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821637547 606762654 /nfs/dbraw/zinc/76/26/54/606762654.db2.gz KMWSEKKNUNLQQK-UHFFFAOYSA-N -1 1 388.409 0.835 20 0 GCADMM CNS(=O)(=O)c1ccc(C)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821637547 606762656 /nfs/dbraw/zinc/76/26/56/606762656.db2.gz KMWSEKKNUNLQQK-UHFFFAOYSA-N -1 1 388.409 0.835 20 0 GCADMM C[C@@H](Cn1ccnc1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820307873 606763011 /nfs/dbraw/zinc/76/30/11/606763011.db2.gz QHNVEZTWTMKZGY-QWHCGFSZSA-N -1 1 397.447 0.162 20 0 GCADMM C[C@@H](Cn1ccnc1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820307873 606763012 /nfs/dbraw/zinc/76/30/12/606763012.db2.gz QHNVEZTWTMKZGY-QWHCGFSZSA-N -1 1 397.447 0.162 20 0 GCADMM CCC[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000821034837 606769479 /nfs/dbraw/zinc/76/94/79/606769479.db2.gz VHZGOUNDXXEVGR-KBPBESRZSA-N -1 1 385.476 0.773 20 0 GCADMM CCC[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000821034837 606769480 /nfs/dbraw/zinc/76/94/80/606769480.db2.gz VHZGOUNDXXEVGR-KBPBESRZSA-N -1 1 385.476 0.773 20 0 GCADMM CCn1cnn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1=S ZINC000821566777 606769575 /nfs/dbraw/zinc/76/95/75/606769575.db2.gz SWFLFDCVMHCXGP-LLVKDONJSA-N -1 1 387.477 0.572 20 0 GCADMM CCn1cnn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1=S ZINC000821566777 606769577 /nfs/dbraw/zinc/76/95/77/606769577.db2.gz SWFLFDCVMHCXGP-LLVKDONJSA-N -1 1 387.477 0.572 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2nn[n-]n2)c1C ZINC000822549001 606771002 /nfs/dbraw/zinc/77/10/02/606771002.db2.gz REPOCVXIMDZZQM-STQMWFEESA-N -1 1 376.417 0.895 20 0 GCADMM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820705679 606777279 /nfs/dbraw/zinc/77/72/79/606777279.db2.gz WGWHGMKRMMPSTE-ILXRZTDVSA-N -1 1 399.503 0.862 20 0 GCADMM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820705679 606777280 /nfs/dbraw/zinc/77/72/80/606777280.db2.gz WGWHGMKRMMPSTE-ILXRZTDVSA-N -1 1 399.503 0.862 20 0 GCADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820788732 606779835 /nfs/dbraw/zinc/77/98/35/606779835.db2.gz NDYSWOBMQQARAM-RBSFLKMASA-N -1 1 399.503 0.957 20 0 GCADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820788732 606779837 /nfs/dbraw/zinc/77/98/37/606779837.db2.gz NDYSWOBMQQARAM-RBSFLKMASA-N -1 1 399.503 0.957 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc2n1CCCC2 ZINC000820804508 606785216 /nfs/dbraw/zinc/78/52/16/606785216.db2.gz TZUOFIPQKUMKKJ-GFCCVEGCSA-N -1 1 381.448 0.295 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc2n1CCCC2 ZINC000820804508 606785218 /nfs/dbraw/zinc/78/52/18/606785218.db2.gz TZUOFIPQKUMKKJ-GFCCVEGCSA-N -1 1 381.448 0.295 20 0 GCADMM Cc1cc(=O)[nH]c(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000822210859 606785584 /nfs/dbraw/zinc/78/55/84/606785584.db2.gz UFTSFFZQRCRIJJ-UHFFFAOYSA-N -1 1 383.416 0.858 20 0 GCADMM Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822414648 606785973 /nfs/dbraw/zinc/78/59/73/606785973.db2.gz OIRFYUCGRXSOIX-SNVBAGLBSA-N -1 1 397.447 0.146 20 0 GCADMM Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822414648 606785974 /nfs/dbraw/zinc/78/59/74/606785974.db2.gz OIRFYUCGRXSOIX-SNVBAGLBSA-N -1 1 397.447 0.146 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1cccnc1 ZINC000820788657 606786828 /nfs/dbraw/zinc/78/68/28/606786828.db2.gz LOUUBZAEHDGIBE-CYBMUJFWSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1cccnc1 ZINC000820788657 606786830 /nfs/dbraw/zinc/78/68/30/606786830.db2.gz LOUUBZAEHDGIBE-CYBMUJFWSA-N -1 1 394.443 0.515 20 0 GCADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000822237263 606788079 /nfs/dbraw/zinc/78/80/79/606788079.db2.gz MWWLGGBUPQHOPX-CYBMUJFWSA-N -1 1 394.443 0.780 20 0 GCADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000822237263 606788081 /nfs/dbraw/zinc/78/80/81/606788081.db2.gz MWWLGGBUPQHOPX-CYBMUJFWSA-N -1 1 394.443 0.780 20 0 GCADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCO[C@H](CNc2cccnn2)C1 ZINC000823816402 606789512 /nfs/dbraw/zinc/78/95/12/606789512.db2.gz UXXUOKHPAPIHRW-GFCCVEGCSA-N -1 1 390.411 0.917 20 0 GCADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCO[C@H](CNc2cccnn2)C1 ZINC000823816402 606789514 /nfs/dbraw/zinc/78/95/14/606789514.db2.gz UXXUOKHPAPIHRW-GFCCVEGCSA-N -1 1 390.411 0.917 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCOC(C)(C)C ZINC000820788728 606790425 /nfs/dbraw/zinc/79/04/25/606790425.db2.gz NBOCOKNDSGYNEP-LBPRGKRZSA-N -1 1 389.464 0.692 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCOC(C)(C)C ZINC000820788728 606790427 /nfs/dbraw/zinc/79/04/27/606790427.db2.gz NBOCOKNDSGYNEP-LBPRGKRZSA-N -1 1 389.464 0.692 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cscn1 ZINC000820788494 606790583 /nfs/dbraw/zinc/79/05/83/606790583.db2.gz IJWHMHHOLCDAFF-SNVBAGLBSA-N -1 1 386.445 0.534 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cscn1 ZINC000820788494 606790584 /nfs/dbraw/zinc/79/05/84/606790584.db2.gz IJWHMHHOLCDAFF-SNVBAGLBSA-N -1 1 386.445 0.534 20 0 GCADMM COCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821686032 606790990 /nfs/dbraw/zinc/79/09/90/606790990.db2.gz YKKFWZZMACYIDF-RYUDHWBXSA-N -1 1 375.437 0.302 20 0 GCADMM COCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821686032 606790992 /nfs/dbraw/zinc/79/09/92/606790992.db2.gz YKKFWZZMACYIDF-RYUDHWBXSA-N -1 1 375.437 0.302 20 0 GCADMM Cc1noc(C)c1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822523691 606791542 /nfs/dbraw/zinc/79/15/42/606791542.db2.gz SAPZVUIQSMROKA-SNVBAGLBSA-N -1 1 398.431 0.682 20 0 GCADMM Cc1noc(C)c1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822523691 606791543 /nfs/dbraw/zinc/79/15/43/606791543.db2.gz SAPZVUIQSMROKA-SNVBAGLBSA-N -1 1 398.431 0.682 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)on1 ZINC000822199883 606791547 /nfs/dbraw/zinc/79/15/47/606791547.db2.gz LHZMIHOJTXUEGS-LLVKDONJSA-N -1 1 384.404 0.373 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)on1 ZINC000822199883 606791549 /nfs/dbraw/zinc/79/15/49/606791549.db2.gz LHZMIHOJTXUEGS-LLVKDONJSA-N -1 1 384.404 0.373 20 0 GCADMM CO[C@H](C)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821673436 606792849 /nfs/dbraw/zinc/79/28/49/606792849.db2.gz AZUGXRKEXGYYCB-NWDGAFQWSA-N -1 1 375.437 0.302 20 0 GCADMM CO[C@H](C)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821673436 606792850 /nfs/dbraw/zinc/79/28/50/606792850.db2.gz AZUGXRKEXGYYCB-NWDGAFQWSA-N -1 1 375.437 0.302 20 0 GCADMM CSC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821956594 606793033 /nfs/dbraw/zinc/79/30/33/606793033.db2.gz SDWKQMQHUJLOBE-WDEREUQCSA-N -1 1 377.478 0.628 20 0 GCADMM CSC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821956594 606793034 /nfs/dbraw/zinc/79/30/34/606793034.db2.gz SDWKQMQHUJLOBE-WDEREUQCSA-N -1 1 377.478 0.628 20 0 GCADMM CSC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821956592 606793068 /nfs/dbraw/zinc/79/30/68/606793068.db2.gz SDWKQMQHUJLOBE-MNOVXSKESA-N -1 1 377.478 0.628 20 0 GCADMM CSC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821956592 606793070 /nfs/dbraw/zinc/79/30/70/606793070.db2.gz SDWKQMQHUJLOBE-MNOVXSKESA-N -1 1 377.478 0.628 20 0 GCADMM CSCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821962038 606793128 /nfs/dbraw/zinc/79/31/28/606793128.db2.gz OBKCMFLGFOLJEC-LLVKDONJSA-N -1 1 377.478 0.630 20 0 GCADMM CSCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821962038 606793130 /nfs/dbraw/zinc/79/31/30/606793130.db2.gz OBKCMFLGFOLJEC-LLVKDONJSA-N -1 1 377.478 0.630 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCSC1 ZINC000820788853 606794132 /nfs/dbraw/zinc/79/41/32/606794132.db2.gz PJXSWPLWLZWPDP-QWRGUYRKSA-N -1 1 375.462 0.382 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCSC1 ZINC000820788853 606794134 /nfs/dbraw/zinc/79/41/34/606794134.db2.gz PJXSWPLWLZWPDP-QWRGUYRKSA-N -1 1 375.462 0.382 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC(F)(F)F ZINC000820788408 606794265 /nfs/dbraw/zinc/79/42/65/606794265.db2.gz GKWVRZGGENNYKG-VIFPVBQESA-N -1 1 385.354 0.829 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC(F)(F)F ZINC000820788408 606794266 /nfs/dbraw/zinc/79/42/66/606794266.db2.gz GKWVRZGGENNYKG-VIFPVBQESA-N -1 1 385.354 0.829 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1CCCCO1 ZINC000820788668 606794403 /nfs/dbraw/zinc/79/44/03/606794403.db2.gz LYBXDEHHFXSZCF-OLZOCXBDSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1CCCCO1 ZINC000820788668 606794405 /nfs/dbraw/zinc/79/44/05/606794405.db2.gz LYBXDEHHFXSZCF-OLZOCXBDSA-N -1 1 387.448 0.446 20 0 GCADMM COC[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000821682415 606794663 /nfs/dbraw/zinc/79/46/63/606794663.db2.gz DXRAFZCLZDJQJV-QWHCGFSZSA-N -1 1 389.464 0.548 20 0 GCADMM COC[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000821682415 606794664 /nfs/dbraw/zinc/79/46/64/606794664.db2.gz DXRAFZCLZDJQJV-QWHCGFSZSA-N -1 1 389.464 0.548 20 0 GCADMM O=C(C1CCCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822917715 606795681 /nfs/dbraw/zinc/79/56/81/606795681.db2.gz VTMLFIRUEGFLED-LBPRGKRZSA-N -1 1 391.457 0.331 20 0 GCADMM O=C(C1CCCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822917715 606795683 /nfs/dbraw/zinc/79/56/83/606795683.db2.gz VTMLFIRUEGFLED-LBPRGKRZSA-N -1 1 391.457 0.331 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@]1(C)CCCO1 ZINC000820788768 606795753 /nfs/dbraw/zinc/79/57/53/606795753.db2.gz NQYBGMJICKIVRP-YVEFUNNKSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@]1(C)CCCO1 ZINC000820788768 606795755 /nfs/dbraw/zinc/79/57/55/606795755.db2.gz NQYBGMJICKIVRP-YVEFUNNKSA-N -1 1 387.448 0.446 20 0 GCADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821931758 606807577 /nfs/dbraw/zinc/80/75/77/606807577.db2.gz HEIBXBOLGNIBKG-PWSUYJOCSA-N -1 1 388.457 0.940 20 0 GCADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821931758 606807579 /nfs/dbraw/zinc/80/75/79/606807579.db2.gz HEIBXBOLGNIBKG-PWSUYJOCSA-N -1 1 388.457 0.940 20 0 GCADMM COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000821897207 606817295 /nfs/dbraw/zinc/81/72/95/606817295.db2.gz GCKBDQRCWVNQMO-CYBMUJFWSA-N -1 1 379.380 0.806 20 0 GCADMM COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000821897207 606817297 /nfs/dbraw/zinc/81/72/97/606817297.db2.gz GCKBDQRCWVNQMO-CYBMUJFWSA-N -1 1 379.380 0.806 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820550562 606817770 /nfs/dbraw/zinc/81/77/70/606817770.db2.gz WSAXZSRDDRJUJK-STQMWFEESA-N -1 1 395.427 0.556 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820550562 606817773 /nfs/dbraw/zinc/81/77/73/606817773.db2.gz WSAXZSRDDRJUJK-STQMWFEESA-N -1 1 395.427 0.556 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CC1(Cl)Cl ZINC000820778983 606819954 /nfs/dbraw/zinc/81/99/54/606819954.db2.gz ZSNLJJAXVFRFJK-RKDXNWHRSA-N -1 1 383.243 0.888 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CC1(Cl)Cl ZINC000820778983 606819955 /nfs/dbraw/zinc/81/99/55/606819955.db2.gz ZSNLJJAXVFRFJK-RKDXNWHRSA-N -1 1 383.243 0.888 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn2cccnc12 ZINC000820788625 606820082 /nfs/dbraw/zinc/82/00/82/606820082.db2.gz KWPOWHVBDUCHCK-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn2cccnc12 ZINC000820788625 606820084 /nfs/dbraw/zinc/82/00/84/606820084.db2.gz KWPOWHVBDUCHCK-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000820788306 606820200 /nfs/dbraw/zinc/82/02/00/606820200.db2.gz CRUBDJXYNNMNNY-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000820788306 606820202 /nfs/dbraw/zinc/82/02/02/606820202.db2.gz CRUBDJXYNNMNNY-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM COCc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000821695366 606820620 /nfs/dbraw/zinc/82/06/20/606820620.db2.gz VTOBLNCVISSOKR-JTQLQIEISA-N -1 1 385.388 0.142 20 0 GCADMM COCc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000821695366 606820621 /nfs/dbraw/zinc/82/06/21/606820621.db2.gz VTOBLNCVISSOKR-JTQLQIEISA-N -1 1 385.388 0.142 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)[nH]n1 ZINC000820187904 606821063 /nfs/dbraw/zinc/82/10/63/606821063.db2.gz YHGAGEOQNCUHSC-LLVKDONJSA-N -1 1 382.432 0.854 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)[nH]n1 ZINC000820187904 606821065 /nfs/dbraw/zinc/82/10/65/606821065.db2.gz YHGAGEOQNCUHSC-LLVKDONJSA-N -1 1 382.432 0.854 20 0 GCADMM Cc1noc(C)c1CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822524133 606822389 /nfs/dbraw/zinc/82/23/89/606822389.db2.gz YISWBIXWTRFQRR-LLVKDONJSA-N -1 1 397.443 0.931 20 0 GCADMM Cc1noc(C)c1CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822524133 606822390 /nfs/dbraw/zinc/82/23/90/606822390.db2.gz YISWBIXWTRFQRR-LLVKDONJSA-N -1 1 397.443 0.931 20 0 GCADMM Cc1noc(C)c1CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822524137 606822443 /nfs/dbraw/zinc/82/24/43/606822443.db2.gz YISWBIXWTRFQRR-NSHDSACASA-N -1 1 397.443 0.931 20 0 GCADMM Cc1noc(C)c1CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822524137 606822444 /nfs/dbraw/zinc/82/24/44/606822444.db2.gz YISWBIXWTRFQRR-NSHDSACASA-N -1 1 397.443 0.931 20 0 GCADMM CCCc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)[nH]n1 ZINC000821138881 606822697 /nfs/dbraw/zinc/82/26/97/606822697.db2.gz JCZAESHIZHBPCG-LLVKDONJSA-N -1 1 382.432 0.683 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCNC(=O)C1CC1 ZINC000820775532 606822967 /nfs/dbraw/zinc/82/29/67/606822967.db2.gz IRKIDFAYVBGKFT-LBPRGKRZSA-N -1 1 399.459 0.000 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCNC(=O)C1CC1 ZINC000820775532 606822968 /nfs/dbraw/zinc/82/29/68/606822968.db2.gz IRKIDFAYVBGKFT-LBPRGKRZSA-N -1 1 399.459 0.000 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cnn(C)c1 ZINC000819858188 606824424 /nfs/dbraw/zinc/82/44/24/606824424.db2.gz ZXWYIPNMMBYKHD-NWDGAFQWSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cnn(C)c1 ZINC000819858188 606824427 /nfs/dbraw/zinc/82/44/27/606824427.db2.gz ZXWYIPNMMBYKHD-NWDGAFQWSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2nccn2c1 ZINC000820788705 606824870 /nfs/dbraw/zinc/82/48/70/606824870.db2.gz MPUOZYZOBLZGNI-GFCCVEGCSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2nccn2c1 ZINC000820788705 606824871 /nfs/dbraw/zinc/82/48/71/606824871.db2.gz MPUOZYZOBLZGNI-GFCCVEGCSA-N -1 1 390.411 0.655 20 0 GCADMM COCCOc1ccc(CNC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000821693731 606825179 /nfs/dbraw/zinc/82/51/79/606825179.db2.gz LPXHBBJWVJHNQR-UHFFFAOYSA-N -1 1 384.396 0.370 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccnc1 ZINC000820774350 606829040 /nfs/dbraw/zinc/82/90/40/606829040.db2.gz BFXSIXUNMAMLSM-IHVVCDCBSA-N -1 1 377.412 0.802 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccnc1 ZINC000820774350 606829041 /nfs/dbraw/zinc/82/90/41/606829041.db2.gz BFXSIXUNMAMLSM-IHVVCDCBSA-N -1 1 377.412 0.802 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000820789149 606829960 /nfs/dbraw/zinc/82/99/60/606829960.db2.gz WKYISRTYQOQEBN-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000820789149 606829961 /nfs/dbraw/zinc/82/99/61/606829961.db2.gz WKYISRTYQOQEBN-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM CSc1nsc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000821989880 606830164 /nfs/dbraw/zinc/83/01/64/606830164.db2.gz NGHIMZMCBYXHNG-UHFFFAOYSA-N -1 1 381.451 0.500 20 0 GCADMM CSc1nsc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000821989880 606830165 /nfs/dbraw/zinc/83/01/65/606830165.db2.gz NGHIMZMCBYXHNG-UHFFFAOYSA-N -1 1 381.451 0.500 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000820775948 606831519 /nfs/dbraw/zinc/83/15/19/606831519.db2.gz KKUPOESCPHTXBA-STQMWFEESA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000820775948 606831522 /nfs/dbraw/zinc/83/15/22/606831522.db2.gz KKUPOESCPHTXBA-STQMWFEESA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000820788770 606831748 /nfs/dbraw/zinc/83/17/48/606831748.db2.gz NRLKCXUVVJIMJU-NSHDSACASA-N -1 1 394.443 0.610 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000820788770 606831749 /nfs/dbraw/zinc/83/17/49/606831749.db2.gz NRLKCXUVVJIMJU-NSHDSACASA-N -1 1 394.443 0.610 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)/C=C/C1CCOCC1 ZINC000820777120 606831764 /nfs/dbraw/zinc/83/17/64/606831764.db2.gz PIUFZIKCMCUHBE-IBUXWKBASA-N -1 1 384.444 0.677 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)/C=C/C1CCOCC1 ZINC000820777120 606831765 /nfs/dbraw/zinc/83/17/65/606831765.db2.gz PIUFZIKCMCUHBE-IBUXWKBASA-N -1 1 384.444 0.677 20 0 GCADMM CCc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n(C)n1 ZINC000821469605 606836274 /nfs/dbraw/zinc/83/62/74/606836274.db2.gz HAZSPGIHEFWIQA-NSHDSACASA-N -1 1 397.447 0.695 20 0 GCADMM CCc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n(C)n1 ZINC000821469605 606836276 /nfs/dbraw/zinc/83/62/76/606836276.db2.gz HAZSPGIHEFWIQA-NSHDSACASA-N -1 1 397.447 0.695 20 0 GCADMM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821325307 606840249 /nfs/dbraw/zinc/84/02/49/606840249.db2.gz DHZKLKRQGNFZPC-JTQLQIEISA-N -1 1 383.405 0.970 20 0 GCADMM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820011387 606841489 /nfs/dbraw/zinc/84/14/89/606841489.db2.gz KUNGQUQECLUJIR-UHFFFAOYSA-N -1 1 396.448 0.931 20 0 GCADMM O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000823583544 606841498 /nfs/dbraw/zinc/84/14/98/606841498.db2.gz SWWZOTIRQSBFPI-UHFFFAOYSA-N -1 1 392.420 0.802 20 0 GCADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819883301 606843259 /nfs/dbraw/zinc/84/32/59/606843259.db2.gz GULSUOARPGPLJJ-RKDXNWHRSA-N -1 1 391.450 0.448 20 0 GCADMM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000821654102 606843972 /nfs/dbraw/zinc/84/39/72/606843972.db2.gz UDLBSYHPJXJFPN-GFCCVEGCSA-N -1 1 395.416 0.970 20 0 GCADMM O=C1CC2(CN1)CCN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000823525458 606845674 /nfs/dbraw/zinc/84/56/74/606845674.db2.gz NVOPNSZTRMAQLD-UHFFFAOYSA-N -1 1 380.405 0.297 20 0 GCADMM Cn1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CC2)cn1 ZINC000822684791 606845683 /nfs/dbraw/zinc/84/56/83/606845683.db2.gz IQQYQJVZSGBKEP-UHFFFAOYSA-N -1 1 392.420 0.250 20 0 GCADMM CC(C)CCS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820076167 606847334 /nfs/dbraw/zinc/84/73/34/606847334.db2.gz DWVGNCMHYMSHQG-GFCCVEGCSA-N -1 1 380.478 0.543 20 0 GCADMM CC(C)CCS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820076167 606847335 /nfs/dbraw/zinc/84/73/35/606847335.db2.gz DWVGNCMHYMSHQG-GFCCVEGCSA-N -1 1 380.478 0.543 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823605712 606847337 /nfs/dbraw/zinc/84/73/37/606847337.db2.gz ACKHHRJXVUKYAE-VXGBXAGGSA-N -1 1 383.405 0.574 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823605712 606847338 /nfs/dbraw/zinc/84/73/38/606847338.db2.gz ACKHHRJXVUKYAE-VXGBXAGGSA-N -1 1 383.405 0.574 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823605707 606847491 /nfs/dbraw/zinc/84/74/91/606847491.db2.gz ACKHHRJXVUKYAE-NEPJUHHUSA-N -1 1 383.405 0.574 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823605707 606847493 /nfs/dbraw/zinc/84/74/93/606847493.db2.gz ACKHHRJXVUKYAE-NEPJUHHUSA-N -1 1 383.405 0.574 20 0 GCADMM CCOCCN1C(=O)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)N(C)C)=C1C ZINC000821378121 606849666 /nfs/dbraw/zinc/84/96/66/606849666.db2.gz JAWGKRVRGOGLPD-CQSZACIVSA-N -1 1 389.416 0.925 20 0 GCADMM CCOCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)N(C)C)=C1C ZINC000821378121 606849668 /nfs/dbraw/zinc/84/96/68/606849668.db2.gz JAWGKRVRGOGLPD-CQSZACIVSA-N -1 1 389.416 0.925 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cccc(O)c1 ZINC000820774391 606854924 /nfs/dbraw/zinc/85/49/24/606854924.db2.gz BXKFFUFIIOZQKB-GFCCVEGCSA-N -1 1 380.412 0.642 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cccc(O)c1 ZINC000820774391 606854925 /nfs/dbraw/zinc/85/49/25/606854925.db2.gz BXKFFUFIIOZQKB-GFCCVEGCSA-N -1 1 380.412 0.642 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000820788849 606855001 /nfs/dbraw/zinc/85/50/01/606855001.db2.gz PIIZFRXLVFLEOF-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000820788849 606855003 /nfs/dbraw/zinc/85/50/03/606855003.db2.gz PIIZFRXLVFLEOF-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822486272 606855830 /nfs/dbraw/zinc/85/58/30/606855830.db2.gz DPDXAXKHRSDBOC-JTQLQIEISA-N -1 1 382.432 0.358 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822486272 606855832 /nfs/dbraw/zinc/85/58/32/606855832.db2.gz DPDXAXKHRSDBOC-JTQLQIEISA-N -1 1 382.432 0.358 20 0 GCADMM CCc1noc(C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821553474 606855853 /nfs/dbraw/zinc/85/58/53/606855853.db2.gz JHWOVGVERFBJLZ-SNVBAGLBSA-N -1 1 383.416 0.866 20 0 GCADMM CCc1noc(C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821553474 606855855 /nfs/dbraw/zinc/85/58/55/606855855.db2.gz JHWOVGVERFBJLZ-SNVBAGLBSA-N -1 1 383.416 0.866 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819922754 606873297 /nfs/dbraw/zinc/87/32/97/606873297.db2.gz OIMWUBBNWWYRHO-LBPRGKRZSA-N -1 1 380.430 0.757 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819922754 606873298 /nfs/dbraw/zinc/87/32/98/606873298.db2.gz OIMWUBBNWWYRHO-LBPRGKRZSA-N -1 1 380.430 0.757 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC000821979761 606914625 /nfs/dbraw/zinc/91/46/25/606914625.db2.gz WGYYLYZYRKFPAG-KWQFWETISA-N -1 1 391.457 0.853 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000822004771 606943509 /nfs/dbraw/zinc/94/35/09/606943509.db2.gz KNDPANDGTSIRGA-LLVKDONJSA-N -1 1 387.400 0.180 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCc2ccc3c(c2)OCCO3)n(C)c1=O ZINC000822601201 606948083 /nfs/dbraw/zinc/94/80/83/606948083.db2.gz VJTUBHQCPQAMFC-UHFFFAOYSA-N -1 1 399.411 0.080 20 0 GCADMM CCc1cc(=O)[nH]c(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000821476949 606980721 /nfs/dbraw/zinc/98/07/21/606980721.db2.gz WCGFYVUQHZVYLP-NSHDSACASA-N -1 1 382.432 0.425 20 0 GCADMM CCc1cc(=O)[nH]c(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000821476949 606980722 /nfs/dbraw/zinc/98/07/22/606980722.db2.gz WCGFYVUQHZVYLP-NSHDSACASA-N -1 1 382.432 0.425 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000822005187 606982394 /nfs/dbraw/zinc/98/23/94/606982394.db2.gz PEJYWNJQEZNRCL-KGLIPLIRSA-N -1 1 399.455 0.786 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CC1CCCC1 ZINC000820804774 607003757 /nfs/dbraw/zinc/00/37/57/607003757.db2.gz YYNFXWLXGTYLDG-GFCCVEGCSA-N -1 1 392.489 0.687 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CC1CCCC1 ZINC000820804774 607003758 /nfs/dbraw/zinc/00/37/58/607003758.db2.gz YYNFXWLXGTYLDG-GFCCVEGCSA-N -1 1 392.489 0.687 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc2n1CCCC2 ZINC000820443857 607005234 /nfs/dbraw/zinc/00/52/34/607005234.db2.gz ABADAHWZWPPPFP-SECBINFHSA-N -1 1 375.418 0.229 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc2n1CCCC2 ZINC000820443857 607005236 /nfs/dbraw/zinc/00/52/36/607005236.db2.gz ABADAHWZWPPPFP-SECBINFHSA-N -1 1 375.418 0.229 20 0 GCADMM C[C@]1([C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820612742 607028873 /nfs/dbraw/zinc/02/88/73/607028873.db2.gz IDROVNRSBALBJU-CAAJLBCPSA-N -1 1 382.837 0.791 20 0 GCADMM C[C@]1([C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820612742 607028875 /nfs/dbraw/zinc/02/88/75/607028875.db2.gz IDROVNRSBALBJU-CAAJLBCPSA-N -1 1 382.837 0.791 20 0 GCADMM Cc1cc(=O)[nH]cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822159534 607048152 /nfs/dbraw/zinc/04/81/52/607048152.db2.gz ASVYTUVIASPBNR-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM Cc1cc(=O)[nH]cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822159534 607048154 /nfs/dbraw/zinc/04/81/54/607048154.db2.gz ASVYTUVIASPBNR-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820994731 607063356 /nfs/dbraw/zinc/06/33/56/607063356.db2.gz KOVUOLRDVATQQA-CMPLNLGQSA-N -1 1 379.446 0.052 20 0 GCADMM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820994731 607063358 /nfs/dbraw/zinc/06/33/58/607063358.db2.gz KOVUOLRDVATQQA-CMPLNLGQSA-N -1 1 379.446 0.052 20 0 GCADMM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820994733 607063671 /nfs/dbraw/zinc/06/36/71/607063671.db2.gz KOVUOLRDVATQQA-JQWIXIFHSA-N -1 1 379.446 0.052 20 0 GCADMM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820994733 607063673 /nfs/dbraw/zinc/06/36/73/607063673.db2.gz KOVUOLRDVATQQA-JQWIXIFHSA-N -1 1 379.446 0.052 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@H](C)[S@@](C)=O ZINC000822006102 607098966 /nfs/dbraw/zinc/09/89/66/607098966.db2.gz XVPSXWQNOUPQBC-UAXLGHPASA-N -1 1 380.474 0.790 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821845534 607104636 /nfs/dbraw/zinc/10/46/36/607104636.db2.gz HOUNIHGHALKSAQ-UHFFFAOYSA-N -1 1 381.399 0.232 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821845534 607104637 /nfs/dbraw/zinc/10/46/37/607104637.db2.gz HOUNIHGHALKSAQ-UHFFFAOYSA-N -1 1 381.399 0.232 20 0 GCADMM O=C(CCNC(=O)c1[nH]nc2ccccc21)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822969703 607110125 /nfs/dbraw/zinc/11/01/25/607110125.db2.gz XZBOLWPTNUMJFX-UHFFFAOYSA-N -1 1 383.397 0.958 20 0 GCADMM C[C@@H](c1ccccc1)n1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000820570402 607119096 /nfs/dbraw/zinc/11/90/96/607119096.db2.gz JFDVTZSWPXJESW-NSHDSACASA-N -1 1 393.411 0.814 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccc(O)cc1 ZINC000820774776 607141831 /nfs/dbraw/zinc/14/18/31/607141831.db2.gz FVMBPNXXCNBZIA-GFCCVEGCSA-N -1 1 380.412 0.642 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccc(O)cc1 ZINC000820774776 607141833 /nfs/dbraw/zinc/14/18/33/607141833.db2.gz FVMBPNXXCNBZIA-GFCCVEGCSA-N -1 1 380.412 0.642 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819933571 607146371 /nfs/dbraw/zinc/14/63/71/607146371.db2.gz WQSSPSLRFQIDER-SNVBAGLBSA-N -1 1 392.420 0.702 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOC2(CCOCC2)C1 ZINC000823606496 607146399 /nfs/dbraw/zinc/14/63/99/607146399.db2.gz IVXFTZVSVZCJLT-UHFFFAOYSA-N -1 1 383.405 0.576 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOC2(CCOCC2)C1 ZINC000823606496 607146400 /nfs/dbraw/zinc/14/64/00/607146400.db2.gz IVXFTZVSVZCJLT-UHFFFAOYSA-N -1 1 383.405 0.576 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCSC[C@H]1CCO ZINC000822005946 607192790 /nfs/dbraw/zinc/19/27/90/607192790.db2.gz VWMGYWWLEXIUOW-GFCCVEGCSA-N -1 1 392.485 0.843 20 0 GCADMM CC(C)OC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000820142275 607205832 /nfs/dbraw/zinc/20/58/32/607205832.db2.gz IZSCCAKKJIOPEE-CYBMUJFWSA-N -1 1 384.400 0.657 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000823122984 607206206 /nfs/dbraw/zinc/20/62/06/607206206.db2.gz JURWGPLORIOPOO-UHFFFAOYSA-N -1 1 378.400 0.741 20 0 GCADMM Cc1cc(C)c(NC(=O)CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC000822194315 607207242 /nfs/dbraw/zinc/20/72/42/607207242.db2.gz RRANNAXARCGFHP-UHFFFAOYSA-N -1 1 383.416 0.481 20 0 GCADMM C[C@@H]1CN(Cc2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000820758626 607208156 /nfs/dbraw/zinc/20/81/56/607208156.db2.gz AOOMQEUZSZWRQA-BETUJISGSA-N -1 1 397.443 0.706 20 0 GCADMM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)n1 ZINC000821471113 607208167 /nfs/dbraw/zinc/20/81/67/607208167.db2.gz VOQQSPFUPKXGTQ-UHFFFAOYSA-N -1 1 392.383 0.822 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1NC(=O)N1CCCC1 ZINC000823136226 607208290 /nfs/dbraw/zinc/20/82/90/607208290.db2.gz PDZSYNPKEKYHHW-UHFFFAOYSA-N -1 1 382.388 0.725 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccnc(OCC(F)(F)F)c1 ZINC000823131326 607208354 /nfs/dbraw/zinc/20/83/54/607208354.db2.gz GBDIFZMORYNFNI-UHFFFAOYSA-N -1 1 383.294 0.111 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(N2CCCCCC2)nc1 ZINC000823130966 607208392 /nfs/dbraw/zinc/20/83/92/607208392.db2.gz AANIOYBSKBMCTJ-UHFFFAOYSA-N -1 1 382.432 0.550 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000823131184 607208433 /nfs/dbraw/zinc/20/84/33/607208433.db2.gz CRYSNASCWFGLEW-UHFFFAOYSA-N -1 1 396.337 0.490 20 0 GCADMM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)nc1 ZINC000822242291 607208946 /nfs/dbraw/zinc/20/89/46/607208946.db2.gz HBXJIBJFUNIBJE-LBPRGKRZSA-N -1 1 396.415 0.039 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000823131773 607209331 /nfs/dbraw/zinc/20/93/31/607209331.db2.gz NTXAWTDXUZPTFP-UHFFFAOYSA-N -1 1 375.343 0.975 20 0 GCADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819933313 607210887 /nfs/dbraw/zinc/21/08/87/607210887.db2.gz NGOPYWSBBWNMCZ-LLVKDONJSA-N -1 1 391.436 0.364 20 0 GCADMM CCOC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000821325890 607211344 /nfs/dbraw/zinc/21/13/44/607211344.db2.gz PQBNZAJJGLRQIS-LBPRGKRZSA-N -1 1 388.363 0.408 20 0 GCADMM Cc1ccc(NC(=O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000822242783 607211474 /nfs/dbraw/zinc/21/14/74/607211474.db2.gz XTALNRNTWHGQDH-UHFFFAOYSA-N -1 1 375.780 0.175 20 0 GCADMM CCCCCCNC(=O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821056619 607212115 /nfs/dbraw/zinc/21/21/15/607212115.db2.gz UOUYSVDJEZQOGV-ZDUSSCGKSA-N -1 1 389.464 0.393 20 0 GCADMM C[C@@]1(c2cccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c2)NC(=O)NC1=O ZINC000820636581 607212177 /nfs/dbraw/zinc/21/21/77/607212177.db2.gz URLNWVVGALGCQB-SFHVURJKSA-N -1 1 393.363 0.879 20 0 GCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000821572252 607212473 /nfs/dbraw/zinc/21/24/73/607212473.db2.gz XMJQLFVTSVSIHD-HNNXBMFYSA-N -1 1 396.390 0.579 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(OC2CCCCC2)nc1 ZINC000823131437 607212882 /nfs/dbraw/zinc/21/28/82/607212882.db2.gz HHYZXXOPDYYDCP-UHFFFAOYSA-N -1 1 383.416 0.881 20 0 GCADMM O=C(CC1CCCC1)N1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000822941117 607215414 /nfs/dbraw/zinc/21/54/14/607215414.db2.gz QLPGAQWLODRBQK-UHFFFAOYSA-N -1 1 387.448 0.099 20 0 GCADMM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820057124 607215557 /nfs/dbraw/zinc/21/55/57/607215557.db2.gz WYGOAFXFPPPXLM-LLVKDONJSA-N -1 1 393.452 0.514 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccnc(N2CCCCCC2)c1 ZINC000823131698 607215646 /nfs/dbraw/zinc/21/56/46/607215646.db2.gz MBDGLINGYNXGFW-UHFFFAOYSA-N -1 1 382.432 0.550 20 0 GCADMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000819940372 607215728 /nfs/dbraw/zinc/21/57/28/607215728.db2.gz ZDIUCVIDXICDAB-INIZCTEOSA-N -1 1 391.436 0.268 20 0 GCADMM CCOC(=O)CN(CCc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821330756 607215932 /nfs/dbraw/zinc/21/59/32/607215932.db2.gz QMWQKWOWEPCGMZ-UHFFFAOYSA-N -1 1 384.400 0.093 20 0 GCADMM COCCN(CCOc1ccc(F)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821690083 607216061 /nfs/dbraw/zinc/21/60/61/607216061.db2.gz YAQCEQXWKZNMIX-UHFFFAOYSA-N -1 1 390.379 0.151 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000823431286 607216604 /nfs/dbraw/zinc/21/66/04/607216604.db2.gz PFEYAGDRWMHBRB-CYBMUJFWSA-N -1 1 382.384 0.193 20 0 GCADMM CN(C)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000821579747 607217721 /nfs/dbraw/zinc/21/77/21/607217721.db2.gz MFYRWRXKTMHWCF-NSHDSACASA-N -1 1 377.359 0.156 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1ccc(Br)cc1 ZINC000823131198 607217851 /nfs/dbraw/zinc/21/78/51/607217851.db2.gz CVWYZASHTWILBS-UHFFFAOYSA-N -1 1 377.206 0.580 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000823136130 607218939 /nfs/dbraw/zinc/21/89/39/607218939.db2.gz LJCGNZLGKGIPQW-LLVKDONJSA-N -1 1 387.379 0.827 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000821596177 607220184 /nfs/dbraw/zinc/22/01/84/607220184.db2.gz BVOTYWOAWDHAOU-LLVKDONJSA-N -1 1 391.436 0.316 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000823132100 607220610 /nfs/dbraw/zinc/22/06/10/607220610.db2.gz ZVDJJVMBNOHHPH-UHFFFAOYSA-N -1 1 382.363 0.142 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(Cc2ccccc2)no1 ZINC000820333975 607221285 /nfs/dbraw/zinc/22/12/85/607221285.db2.gz HYSYRHCQPIRVEA-SNVBAGLBSA-N -1 1 380.372 0.309 20 0 GCADMM Cc1nccn1-c1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822477218 607221702 /nfs/dbraw/zinc/22/17/02/607221702.db2.gz JKEOZNGLTFKGGG-NSHDSACASA-N -1 1 378.400 0.830 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823122597 607222018 /nfs/dbraw/zinc/22/20/18/607222018.db2.gz FNPYLXMDLLMFEX-CYBMUJFWSA-N -1 1 376.421 0.035 20 0 GCADMM COCCCOc1cc(C)ccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821687501 607222135 /nfs/dbraw/zinc/22/21/35/607222135.db2.gz BUFKTHQMDVPTNX-UHFFFAOYSA-N -1 1 386.416 0.498 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000823123225 607222280 /nfs/dbraw/zinc/22/22/80/607222280.db2.gz SVLUFEARBCWMPD-AWEZNQCLSA-N -1 1 394.395 0.814 20 0 GCADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC[C@H]2CCOC2)c1 ZINC000822237181 607222325 /nfs/dbraw/zinc/22/23/25/607222325.db2.gz INAQICDNKFUAAN-ZDUSSCGKSA-N -1 1 398.427 0.498 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000823126328 607223190 /nfs/dbraw/zinc/22/31/90/607223190.db2.gz HZMGHKBSVNKLHY-VIFPVBQESA-N -1 1 375.343 0.132 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000823131631 607223571 /nfs/dbraw/zinc/22/35/71/607223571.db2.gz KPUIMRSMHSBCHN-UHFFFAOYSA-N -1 1 394.298 0.105 20 0 GCADMM Cc1cc(C)n(-c2ccccc2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000822197498 607223742 /nfs/dbraw/zinc/22/37/42/607223742.db2.gz CRFKYSPONQZSLJ-UHFFFAOYSA-N -1 1 378.400 0.577 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000823127025 607224722 /nfs/dbraw/zinc/22/47/22/607224722.db2.gz QYRRIGCHATYTAG-SNVBAGLBSA-N -1 1 398.305 0.207 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2CCO[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC000821988274 607234495 /nfs/dbraw/zinc/23/44/95/607234495.db2.gz DKOQWBREAZIBFT-SNVBAGLBSA-N -1 1 376.442 0.694 20 0 GCADMM CSCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826228866 607784003 /nfs/dbraw/zinc/78/40/03/607784003.db2.gz DUSOVZTULDKCHV-SNVBAGLBSA-N -1 1 379.519 0.405 20 0 GCADMM CSCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826228866 607784004 /nfs/dbraw/zinc/78/40/04/607784004.db2.gz DUSOVZTULDKCHV-SNVBAGLBSA-N -1 1 379.519 0.405 20 0 GCADMM O=S(=O)(N[C@H]1CCCCC12OCCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487918 607791961 /nfs/dbraw/zinc/79/19/61/607791961.db2.gz DJNVYLVWSYYUDP-LBPRGKRZSA-N -1 1 383.405 0.970 20 0 GCADMM O=S(=O)(N[C@H]1CCCCC12OCCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487918 607791962 /nfs/dbraw/zinc/79/19/62/607791962.db2.gz DJNVYLVWSYYUDP-LBPRGKRZSA-N -1 1 383.405 0.970 20 0 GCADMM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826174602 607792363 /nfs/dbraw/zinc/79/23/63/607792363.db2.gz CMDGAGJYBCFZDW-NSHDSACASA-N -1 1 385.388 0.173 20 0 GCADMM Cn1c2cccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)c2oc1=O ZINC000826354718 607804246 /nfs/dbraw/zinc/80/42/46/607804246.db2.gz RSZCMRCRRFYVAD-UHFFFAOYSA-N -1 1 398.387 0.371 20 0 GCADMM Cn1c2cccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)c2oc1=O ZINC000826354718 607804247 /nfs/dbraw/zinc/80/42/47/607804247.db2.gz RSZCMRCRRFYVAD-UHFFFAOYSA-N -1 1 398.387 0.371 20 0 GCADMM Nc1n[nH]c(CCCNc2cnn(Cc3ccccc3)c(=O)c2)c1-c1nnn[n-]1 ZINC000826394931 607810012 /nfs/dbraw/zinc/81/00/12/607810012.db2.gz FNDOTFKDUVQVHX-UHFFFAOYSA-N -1 1 392.427 0.822 20 0 GCADMM Nc1n[nH]c(CCCNc2cnn(Cc3ccccc3)c(=O)c2)c1-c1nn[n-]n1 ZINC000826394931 607810013 /nfs/dbraw/zinc/81/00/13/607810013.db2.gz FNDOTFKDUVQVHX-UHFFFAOYSA-N -1 1 392.427 0.822 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(Cn2ccnn2)CC1 ZINC000826495811 607812597 /nfs/dbraw/zinc/81/25/97/607812597.db2.gz CJMOHWKAMHJIQQ-UHFFFAOYSA-N -1 1 392.420 0.698 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(Cn2ccnn2)CC1 ZINC000826495811 607812598 /nfs/dbraw/zinc/81/25/98/607812598.db2.gz CJMOHWKAMHJIQQ-UHFFFAOYSA-N -1 1 392.420 0.698 20 0 GCADMM Cc1ccc(Cn2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2=O)cc1 ZINC000826289169 607824345 /nfs/dbraw/zinc/82/43/45/607824345.db2.gz NGBUIYQDJWNXRC-UHFFFAOYSA-N -1 1 391.395 0.615 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C3=NCC(C)(C)S3)CC2)n1 ZINC000826357171 607835154 /nfs/dbraw/zinc/83/51/54/607835154.db2.gz UIBCIJOOZMMPFO-UHFFFAOYSA-N -1 1 390.477 0.631 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C3=NCC(C)(C)S3)CC2)n1 ZINC000826357171 607835155 /nfs/dbraw/zinc/83/51/55/607835155.db2.gz UIBCIJOOZMMPFO-UHFFFAOYSA-N -1 1 390.477 0.631 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@H]3CCO[C@@H]3C)CC2)o1 ZINC000826322834 607845744 /nfs/dbraw/zinc/84/57/44/607845744.db2.gz DDERPSQLDYKKAU-PWSUYJOCSA-N -1 1 393.473 0.722 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)[C@@H]2C1 ZINC000826145536 607852516 /nfs/dbraw/zinc/85/25/16/607852516.db2.gz IKTJJHDRZYMJKM-MRVWCRGKSA-N -1 1 397.432 0.963 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@]2(O)CCOC2)c1-c1nn[n-]n1 ZINC000826231435 607862107 /nfs/dbraw/zinc/86/21/07/607862107.db2.gz LFUICBBFILRZEP-INIZCTEOSA-N -1 1 376.442 0.742 20 0 GCADMM CCOC(=O)N1CCN(C(=O)COc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825517375 607864524 /nfs/dbraw/zinc/86/45/24/607864524.db2.gz AUXRFSNQXIHFBL-UHFFFAOYSA-N -1 1 378.364 0.685 20 0 GCADMM CCOC(=O)N1CCN(C(=O)COc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825517375 607864525 /nfs/dbraw/zinc/86/45/25/607864525.db2.gz AUXRFSNQXIHFBL-UHFFFAOYSA-N -1 1 378.364 0.685 20 0 GCADMM CNC(=O)[C@@H](NC(=O)COc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826053163 607866356 /nfs/dbraw/zinc/86/63/56/607866356.db2.gz UQUUABJHGNYCLD-INIZCTEOSA-N -1 1 384.371 0.988 20 0 GCADMM CNC(=O)[C@@H](NC(=O)COc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826053163 607866357 /nfs/dbraw/zinc/86/63/57/607866357.db2.gz UQUUABJHGNYCLD-INIZCTEOSA-N -1 1 384.371 0.988 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cnn([C@@H]2CCOC2)c1 ZINC000826493522 607868087 /nfs/dbraw/zinc/86/80/87/607868087.db2.gz OSGCTTDDYDOFAT-SECBINFHSA-N -1 1 380.361 0.931 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cnn([C@@H]2CCOC2)c1 ZINC000826493522 607868088 /nfs/dbraw/zinc/86/80/88/607868088.db2.gz OSGCTTDDYDOFAT-SECBINFHSA-N -1 1 380.361 0.931 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cnn([C@H]2CCOC2)c1 ZINC000826493523 607868176 /nfs/dbraw/zinc/86/81/76/607868176.db2.gz OSGCTTDDYDOFAT-VIFPVBQESA-N -1 1 380.361 0.931 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cnn([C@H]2CCOC2)c1 ZINC000826493523 607868177 /nfs/dbraw/zinc/86/81/77/607868177.db2.gz OSGCTTDDYDOFAT-VIFPVBQESA-N -1 1 380.361 0.931 20 0 GCADMM CC[C@]1(c2ccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)NC(=O)NC1=O ZINC000825176386 607877010 /nfs/dbraw/zinc/87/70/10/607877010.db2.gz RPAQXRCYCGIDPR-GOSISDBHSA-N -1 1 393.363 0.926 20 0 GCADMM CC[C@]1(c2ccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)NC(=O)NC1=O ZINC000825176386 607877011 /nfs/dbraw/zinc/87/70/11/607877011.db2.gz RPAQXRCYCGIDPR-GOSISDBHSA-N -1 1 393.363 0.926 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)co1 ZINC000826090713 607894834 /nfs/dbraw/zinc/89/48/34/607894834.db2.gz LYRKRNHRXGWLLF-UHFFFAOYSA-N -1 1 380.361 0.437 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc([S@](C)=O)cc1 ZINC000824650893 607902616 /nfs/dbraw/zinc/90/26/16/607902616.db2.gz VRKWUWLTUOMNEK-RWXBIINUSA-N -1 1 389.441 0.175 20 0 GCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc([S@](C)=O)cc1 ZINC000824650891 607902787 /nfs/dbraw/zinc/90/27/87/607902787.db2.gz VRKWUWLTUOMNEK-LURBXMNDSA-N -1 1 389.441 0.175 20 0 GCADMM CC(C)Oc1cccc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000824333489 607903731 /nfs/dbraw/zinc/90/37/31/607903731.db2.gz KLXSQWBRGVYWNS-UHFFFAOYSA-N -1 1 385.428 0.688 20 0 GCADMM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489433 607906519 /nfs/dbraw/zinc/90/65/19/607906519.db2.gz PIPDMDPJCMVGLD-SNVBAGLBSA-N -1 1 381.389 0.728 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825213164 607907147 /nfs/dbraw/zinc/90/71/47/607907147.db2.gz VZVAMJOQEMDCSV-RISCZKNCSA-N -1 1 396.448 0.931 20 0 GCADMM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825659623 607937147 /nfs/dbraw/zinc/93/71/47/607937147.db2.gz WXMRNKMEBXYRHO-QMMMGPOBSA-N -1 1 377.423 0.107 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826494628 607939507 /nfs/dbraw/zinc/93/95/07/607939507.db2.gz KAZAAINKUITDTC-IUODEOHRSA-N -1 1 390.400 0.897 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826494628 607939508 /nfs/dbraw/zinc/93/95/08/607939508.db2.gz KAZAAINKUITDTC-IUODEOHRSA-N -1 1 390.400 0.897 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000825000160 607940587 /nfs/dbraw/zinc/94/05/87/607940587.db2.gz NHSMLHDVPCUXKK-NWDGAFQWSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000825000160 607940588 /nfs/dbraw/zinc/94/05/88/607940588.db2.gz NHSMLHDVPCUXKK-NWDGAFQWSA-N -1 1 394.443 0.222 20 0 GCADMM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489399 607971501 /nfs/dbraw/zinc/97/15/01/607971501.db2.gz OOLLMDPAFDAMFJ-WFASDCNBSA-N -1 1 375.385 0.942 20 0 GCADMM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489399 607971502 /nfs/dbraw/zinc/97/15/02/607971502.db2.gz OOLLMDPAFDAMFJ-WFASDCNBSA-N -1 1 375.385 0.942 20 0 GCADMM C[C@@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000824671102 607973320 /nfs/dbraw/zinc/97/33/20/607973320.db2.gz XASZPDXJEMPRJW-OAHLLOKOSA-N -1 1 378.389 0.587 20 0 GCADMM C[C@@](O)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000824671102 607973321 /nfs/dbraw/zinc/97/33/21/607973321.db2.gz XASZPDXJEMPRJW-OAHLLOKOSA-N -1 1 378.389 0.587 20 0 GCADMM CCS(=O)(=O)CCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825663335 607975099 /nfs/dbraw/zinc/97/50/99/607975099.db2.gz LVNWBPFJRMFVLS-UHFFFAOYSA-N -1 1 393.878 0.575 20 0 GCADMM CCS(=O)(=O)CCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825663335 607975100 /nfs/dbraw/zinc/97/51/00/607975100.db2.gz LVNWBPFJRMFVLS-UHFFFAOYSA-N -1 1 393.878 0.575 20 0 GCADMM CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825887407 607975911 /nfs/dbraw/zinc/97/59/11/607975911.db2.gz GLTLPXYEJMGUQT-SECBINFHSA-N -1 1 390.347 0.395 20 0 GCADMM CC1(C)CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)(C(N)=O)CC1 ZINC000824802010 607976312 /nfs/dbraw/zinc/97/63/12/607976312.db2.gz JRGREUXKKIKTGK-UHFFFAOYSA-N -1 1 379.446 0.364 20 0 GCADMM CC1(C)CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)(C(N)=O)CC1 ZINC000824802010 607976313 /nfs/dbraw/zinc/97/63/13/607976313.db2.gz JRGREUXKKIKTGK-UHFFFAOYSA-N -1 1 379.446 0.364 20 0 GCADMM CNS(=O)(=O)c1ccc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(F)c1 ZINC000826090649 607988274 /nfs/dbraw/zinc/98/82/74/607988274.db2.gz KMYBBTHJWVTWSX-UHFFFAOYSA-N -1 1 395.424 0.264 20 0 GCADMM CNS(=O)(=O)c1ccc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(F)c1 ZINC000826090649 607988275 /nfs/dbraw/zinc/98/82/75/607988275.db2.gz KMYBBTHJWVTWSX-UHFFFAOYSA-N -1 1 395.424 0.264 20 0 GCADMM O=c1cc(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc2sccn21 ZINC000826501698 607988611 /nfs/dbraw/zinc/98/86/11/607988611.db2.gz CSMNJUHCZMJJBT-UHFFFAOYSA-N -1 1 396.440 0.048 20 0 GCADMM O=c1cc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc2sccn21 ZINC000826501698 607988612 /nfs/dbraw/zinc/98/86/12/607988612.db2.gz CSMNJUHCZMJJBT-UHFFFAOYSA-N -1 1 396.440 0.048 20 0 GCADMM O=C(CNS(=O)(=O)c1cccs1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826412835 607996907 /nfs/dbraw/zinc/99/69/07/607996907.db2.gz FTSMLQCGIOUFAG-UHFFFAOYSA-N -1 1 380.411 0.551 20 0 GCADMM Cn1cc([C@@H]2[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CCC(=O)N2C)cn1 ZINC000826010977 607997385 /nfs/dbraw/zinc/99/73/85/607997385.db2.gz SBMLJGBKLXHGPB-MLGOLLRUSA-N -1 1 396.411 0.854 20 0 GCADMM CC(C)[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])N1CCCS1(=O)=O ZINC000824185341 607997774 /nfs/dbraw/zinc/99/77/74/607997774.db2.gz WNKPLCPSLZEBAG-ZDUSSCGKSA-N -1 1 380.430 0.571 20 0 GCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cnn1CCO[C@@H]1CCCCO1 ZINC000826235163 608011645 /nfs/dbraw/zinc/01/16/45/608011645.db2.gz DKEBQULJJDCDLG-CYBMUJFWSA-N -1 1 387.404 0.382 20 0 GCADMM CCOC(=O)C1=C(Cn2ccnc2-c2nnn[n-]2)NC(=O)N[C@H]1c1ccco1 ZINC000825499876 608012794 /nfs/dbraw/zinc/01/27/94/608012794.db2.gz WLADNOVEBFFVJU-LBPRGKRZSA-N -1 1 384.356 0.528 20 0 GCADMM CCOC(=O)C1=C(Cn2ccnc2-c2nn[n-]n2)NC(=O)N[C@H]1c1ccco1 ZINC000825499876 608012795 /nfs/dbraw/zinc/01/27/95/608012795.db2.gz WLADNOVEBFFVJU-LBPRGKRZSA-N -1 1 384.356 0.528 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000826425155 608013191 /nfs/dbraw/zinc/01/31/91/608013191.db2.gz RRZCLKQQTXASIA-UHFFFAOYSA-N -1 1 381.400 0.440 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000826425155 608013192 /nfs/dbraw/zinc/01/31/92/608013192.db2.gz RRZCLKQQTXASIA-UHFFFAOYSA-N -1 1 381.400 0.440 20 0 GCADMM CC(C)Cn1ncc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C(F)F ZINC000824284384 608017528 /nfs/dbraw/zinc/01/75/28/608017528.db2.gz HKLOWKPEQQXDQZ-UHFFFAOYSA-N -1 1 395.374 0.798 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccc[nH]1 ZINC000824490482 608024163 /nfs/dbraw/zinc/02/41/63/608024163.db2.gz QBZFBEGUONXCPQ-RYUDHWBXSA-N -1 1 382.432 0.966 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccc[nH]1 ZINC000824490482 608024164 /nfs/dbraw/zinc/02/41/64/608024164.db2.gz QBZFBEGUONXCPQ-RYUDHWBXSA-N -1 1 382.432 0.966 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1SCCS1 ZINC000825000514 608046331 /nfs/dbraw/zinc/04/63/31/608046331.db2.gz RMIPIVBUKNQDLM-SECBINFHSA-N -1 1 378.487 0.500 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1SCCS1 ZINC000825000514 608046332 /nfs/dbraw/zinc/04/63/32/608046332.db2.gz RMIPIVBUKNQDLM-SECBINFHSA-N -1 1 378.487 0.500 20 0 GCADMM O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826398815 608074945 /nfs/dbraw/zinc/07/49/45/608074945.db2.gz GUYNMYLKTJBDTH-ZFWWWQNUSA-N -1 1 394.443 0.755 20 0 GCADMM Cc1cc(C)c(CCNC(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c(C)c1 ZINC000826263237 608096339 /nfs/dbraw/zinc/09/63/39/608096339.db2.gz RAWLMIJGRKGRID-UHFFFAOYSA-N -1 1 397.439 0.011 20 0 GCADMM Cc1cc(C(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c(Cl)cc1F ZINC000826256945 608096483 /nfs/dbraw/zinc/09/64/83/608096483.db2.gz HLFXTYTURGDCBK-UHFFFAOYSA-N -1 1 378.751 0.711 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(Br)ccc2F)c1=O ZINC000826357095 608096567 /nfs/dbraw/zinc/09/65/67/608096567.db2.gz QRBGJFNEPZGPPK-UHFFFAOYSA-N -1 1 381.165 0.677 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccccc2OCC(F)(F)F)c1=O ZINC000826357140 608096909 /nfs/dbraw/zinc/09/69/09/608096909.db2.gz SQZNOTZSKCXEEC-UHFFFAOYSA-N -1 1 382.302 0.717 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC[C@@H]3SCCS[C@H]23)n(C)c1=O ZINC000826355952 608098803 /nfs/dbraw/zinc/09/88/03/608098803.db2.gz UVASATSATXLZDX-KHQFGBGNSA-N -1 1 381.487 0.056 20 0 GCADMM CCOC(=O)C(C)(C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825485301 608100536 /nfs/dbraw/zinc/10/05/36/608100536.db2.gz GCGSAOXJPGTHRB-NSHDSACASA-N -1 1 388.432 0.283 20 0 GCADMM CCOC(=O)C(C)(C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825485301 608100537 /nfs/dbraw/zinc/10/05/37/608100537.db2.gz GCGSAOXJPGTHRB-NSHDSACASA-N -1 1 388.432 0.283 20 0 GCADMM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825897926 608111593 /nfs/dbraw/zinc/11/15/93/608111593.db2.gz RBEPWEULYLULQK-UHFFFAOYSA-N -1 1 391.450 0.450 20 0 GCADMM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CN1 ZINC000826479002 608111945 /nfs/dbraw/zinc/11/19/45/608111945.db2.gz NYDHKPCCZBXKHU-GWCFXTLKSA-N -1 1 394.432 0.685 20 0 GCADMM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CN1 ZINC000826478827 608112045 /nfs/dbraw/zinc/11/20/45/608112045.db2.gz KHFMIYJCOFCRML-HZMBPMFUSA-N -1 1 394.432 0.685 20 0 GCADMM O=C([C@@H]1CCCO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826468318 608115070 /nfs/dbraw/zinc/11/50/70/608115070.db2.gz LELYSRWZRLMIAB-LBPRGKRZSA-N -1 1 385.384 0.942 20 0 GCADMM O=C1NC2(CO1)CCN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000826482603 608125412 /nfs/dbraw/zinc/12/54/12/608125412.db2.gz KKQCXSMFUFZNLZ-UHFFFAOYSA-N -1 1 382.377 0.269 20 0 GCADMM O=C1NC2(CO1)CCN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000826482603 608125413 /nfs/dbraw/zinc/12/54/13/608125413.db2.gz KKQCXSMFUFZNLZ-UHFFFAOYSA-N -1 1 382.377 0.269 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOCC2(CCOCC2)C1 ZINC000826495679 608128599 /nfs/dbraw/zinc/12/85/99/608128599.db2.gz XAXYSRMMZIKNQO-UHFFFAOYSA-N -1 1 397.432 0.824 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[C@H]1CCOC1 ZINC000825000524 608130148 /nfs/dbraw/zinc/13/01/48/608130148.db2.gz RRMWQNSCKKVCDV-OLZOCXBDSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[C@H]1CCOC1 ZINC000825000524 608130149 /nfs/dbraw/zinc/13/01/49/608130149.db2.gz RRMWQNSCKKVCDV-OLZOCXBDSA-N -1 1 387.448 0.303 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(CO)CCC2)n1 ZINC000824148108 608145946 /nfs/dbraw/zinc/14/59/46/608145946.db2.gz MSGZQVZELCDXCA-UHFFFAOYSA-N -1 1 376.421 0.036 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2(CO)CCC2)n1 ZINC000824148108 608145947 /nfs/dbraw/zinc/14/59/47/608145947.db2.gz MSGZQVZELCDXCA-UHFFFAOYSA-N -1 1 376.421 0.036 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489409 608159520 /nfs/dbraw/zinc/15/95/20/608159520.db2.gz OUDPJPSCHLFJIV-BMIGLBTASA-N -1 1 383.405 0.622 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489409 608159522 /nfs/dbraw/zinc/15/95/22/608159522.db2.gz OUDPJPSCHLFJIV-BMIGLBTASA-N -1 1 383.405 0.622 20 0 GCADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000824858579 608180325 /nfs/dbraw/zinc/18/03/25/608180325.db2.gz KRZDBXUNRMUQQJ-DYEKYZERSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000824858579 608180326 /nfs/dbraw/zinc/18/03/26/608180326.db2.gz KRZDBXUNRMUQQJ-DYEKYZERSA-N -1 1 384.444 0.699 20 0 GCADMM CNc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000826098971 608180870 /nfs/dbraw/zinc/18/08/70/608180870.db2.gz VABHKVGMEDXTNK-VIFPVBQESA-N -1 1 386.445 0.506 20 0 GCADMM CNc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000826098971 608180872 /nfs/dbraw/zinc/18/08/72/608180872.db2.gz VABHKVGMEDXTNK-VIFPVBQESA-N -1 1 386.445 0.506 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](O)c1c(F)cccc1Cl ZINC000824492448 608202159 /nfs/dbraw/zinc/20/21/59/608202159.db2.gz ZAGZPWYQPHFBCE-MADCSZMMSA-N -1 1 380.771 0.489 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H](O)c1ccccc1 ZINC000820774525 608202385 /nfs/dbraw/zinc/20/23/85/608202385.db2.gz FFEOTRVQUZLHJK-SWLSCSKDSA-N -1 1 380.412 0.427 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H](O)c1ccccc1 ZINC000820774525 608202386 /nfs/dbraw/zinc/20/23/86/608202386.db2.gz FFEOTRVQUZLHJK-SWLSCSKDSA-N -1 1 380.412 0.427 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(CCCO)C1CC1 ZINC000826327755 608205783 /nfs/dbraw/zinc/20/57/83/608205783.db2.gz UALDHFFQMXOAIA-UHFFFAOYSA-N -1 1 384.444 0.832 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(CCCO)C1CC1 ZINC000826327755 608205785 /nfs/dbraw/zinc/20/57/85/608205785.db2.gz UALDHFFQMXOAIA-UHFFFAOYSA-N -1 1 384.444 0.832 20 0 GCADMM CC(C)[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)N1CCCC1=O ZINC000824185160 608210895 /nfs/dbraw/zinc/21/08/95/608210895.db2.gz SBPQVIPUEKNZBY-AWEZNQCLSA-N -1 1 389.464 0.210 20 0 GCADMM CC(C)[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)N1CCCC1=O ZINC000824185160 608210897 /nfs/dbraw/zinc/21/08/97/608210897.db2.gz SBPQVIPUEKNZBY-AWEZNQCLSA-N -1 1 389.464 0.210 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000825929280 608211245 /nfs/dbraw/zinc/21/12/45/608211245.db2.gz FAICGLLTNPOSQD-UHFFFAOYSA-N -1 1 393.452 0.430 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000825929280 608211247 /nfs/dbraw/zinc/21/12/47/608211247.db2.gz FAICGLLTNPOSQD-UHFFFAOYSA-N -1 1 393.452 0.430 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc2c1OCCO2 ZINC000825934755 608211685 /nfs/dbraw/zinc/21/16/85/608211685.db2.gz RPORWISEMJFIIP-UHFFFAOYSA-N -1 1 384.400 0.648 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc2c1OCCO2 ZINC000825934755 608211686 /nfs/dbraw/zinc/21/16/86/608211686.db2.gz RPORWISEMJFIIP-UHFFFAOYSA-N -1 1 384.400 0.648 20 0 GCADMM CCCNC(=O)CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825328706 608212506 /nfs/dbraw/zinc/21/25/06/608212506.db2.gz WGMAJJSHJNFJOS-UHFFFAOYSA-N -1 1 377.453 0.260 20 0 GCADMM CCCNC(=O)CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825328706 608212508 /nfs/dbraw/zinc/21/25/08/608212508.db2.gz WGMAJJSHJNFJOS-UHFFFAOYSA-N -1 1 377.453 0.260 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCOCC(F)(F)F ZINC000825923052 608212887 /nfs/dbraw/zinc/21/28/87/608212887.db2.gz AGEZJRYZCDSWPO-UHFFFAOYSA-N -1 1 376.343 0.532 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCOCC(F)(F)F ZINC000825923052 608212888 /nfs/dbraw/zinc/21/28/88/608212888.db2.gz AGEZJRYZCDSWPO-UHFFFAOYSA-N -1 1 376.343 0.532 20 0 GCADMM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826060815 608239886 /nfs/dbraw/zinc/23/98/86/608239886.db2.gz UBRJGMVAOHMFJY-PSASIEDQSA-N -1 1 384.849 0.713 20 0 GCADMM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826060815 608239888 /nfs/dbraw/zinc/23/98/88/608239888.db2.gz UBRJGMVAOHMFJY-PSASIEDQSA-N -1 1 384.849 0.713 20 0 GCADMM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1CC(F)F ZINC000825209545 608241314 /nfs/dbraw/zinc/24/13/14/608241314.db2.gz AHFDSBVVVIUWNS-JTQLQIEISA-N -1 1 387.416 0.612 20 0 GCADMM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1CC(F)F ZINC000825209545 608241315 /nfs/dbraw/zinc/24/13/15/608241315.db2.gz AHFDSBVVVIUWNS-JTQLQIEISA-N -1 1 387.416 0.612 20 0 GCADMM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826053198 608244022 /nfs/dbraw/zinc/24/40/22/608244022.db2.gz VUBHPXWNPHPFAS-STQMWFEESA-N -1 1 387.444 0.548 20 0 GCADMM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826053195 608244126 /nfs/dbraw/zinc/24/41/26/608244126.db2.gz VUBHPXWNPHPFAS-CHWSQXEVSA-N -1 1 387.444 0.548 20 0 GCADMM CCc1cccnc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825728680 608309426 /nfs/dbraw/zinc/30/94/26/608309426.db2.gz VSFXTWXKCOFMPI-GFCCVEGCSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1cccnc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825728680 608309428 /nfs/dbraw/zinc/30/94/28/608309428.db2.gz VSFXTWXKCOFMPI-GFCCVEGCSA-N -1 1 379.428 0.965 20 0 GCADMM CCC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(=O)OC ZINC000825242416 608334250 /nfs/dbraw/zinc/33/42/50/608334250.db2.gz QMBZBZUHXJKLMM-GFCCVEGCSA-N -1 1 376.417 0.975 20 0 GCADMM CCC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(=O)OC ZINC000825242417 608334444 /nfs/dbraw/zinc/33/44/44/608334444.db2.gz QMBZBZUHXJKLMM-LBPRGKRZSA-N -1 1 376.417 0.975 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC[C@@H]2CCCO2)n1 ZINC000824147401 608339524 /nfs/dbraw/zinc/33/95/24/608339524.db2.gz BQYBWNUKKRJQPE-JTQLQIEISA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC[C@@H]2CCCO2)n1 ZINC000824147401 608339526 /nfs/dbraw/zinc/33/95/26/608339526.db2.gz BQYBWNUKKRJQPE-JTQLQIEISA-N -1 1 376.421 0.442 20 0 GCADMM CCc1nn(C)cc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825763158 608340674 /nfs/dbraw/zinc/34/06/74/608340674.db2.gz QJGKXAPECRYQMM-NSHDSACASA-N -1 1 397.447 0.695 20 0 GCADMM CCc1nn(C)cc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825763158 608340676 /nfs/dbraw/zinc/34/06/76/608340676.db2.gz QJGKXAPECRYQMM-NSHDSACASA-N -1 1 397.447 0.695 20 0 GCADMM CCC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1CCOC ZINC000825260127 608342347 /nfs/dbraw/zinc/34/23/47/608342347.db2.gz NFPOTESREGTOJZ-CYBMUJFWSA-N -1 1 395.489 0.383 20 0 GCADMM CCC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1CCOC ZINC000825260127 608342349 /nfs/dbraw/zinc/34/23/49/608342349.db2.gz NFPOTESREGTOJZ-CYBMUJFWSA-N -1 1 395.489 0.383 20 0 GCADMM CCCCOCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825290937 608351370 /nfs/dbraw/zinc/35/13/70/608351370.db2.gz KBDOYQYPXZXGJE-UHFFFAOYSA-N -1 1 378.437 0.690 20 0 GCADMM CCCCOCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825290937 608351372 /nfs/dbraw/zinc/35/13/72/608351372.db2.gz KBDOYQYPXZXGJE-UHFFFAOYSA-N -1 1 378.437 0.690 20 0 GCADMM CN(C[C@@H]1CCCOC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825907847 608353248 /nfs/dbraw/zinc/35/32/48/608353248.db2.gz CBCYRNCPQNMUSK-NSHDSACASA-N -1 1 390.448 0.642 20 0 GCADMM CN(C[C@@H]1CCCOC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825907847 608353250 /nfs/dbraw/zinc/35/32/50/608353250.db2.gz CBCYRNCPQNMUSK-NSHDSACASA-N -1 1 390.448 0.642 20 0 GCADMM CN(CCn1cccn1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825950316 608353487 /nfs/dbraw/zinc/35/34/87/608353487.db2.gz NSDBSPKZMROCHE-UHFFFAOYSA-N -1 1 386.420 0.112 20 0 GCADMM CN(CCn1cccn1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825950316 608353488 /nfs/dbraw/zinc/35/34/88/608353488.db2.gz NSDBSPKZMROCHE-UHFFFAOYSA-N -1 1 386.420 0.112 20 0 GCADMM CC(C)[C@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824192223 608354338 /nfs/dbraw/zinc/35/43/38/608354338.db2.gz IUWNWDUBICKWLL-NSHDSACASA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)[C@H](CCO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824192223 608354340 /nfs/dbraw/zinc/35/43/40/608354340.db2.gz IUWNWDUBICKWLL-NSHDSACASA-N -1 1 378.437 0.280 20 0 GCADMM CCC[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825233976 608354564 /nfs/dbraw/zinc/35/45/64/608354564.db2.gz UFGFNXVFRASXIK-MRXNPFEDSA-N -1 1 378.437 0.424 20 0 GCADMM CCC[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825233976 608354565 /nfs/dbraw/zinc/35/45/65/608354565.db2.gz UFGFNXVFRASXIK-MRXNPFEDSA-N -1 1 378.437 0.424 20 0 GCADMM C[C@@H](O)CC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824691002 608354631 /nfs/dbraw/zinc/35/46/31/608354631.db2.gz WWQKUSAIEINIBA-SNVBAGLBSA-N -1 1 392.464 0.670 20 0 GCADMM C[C@@H](O)CC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824691002 608354633 /nfs/dbraw/zinc/35/46/33/608354633.db2.gz WWQKUSAIEINIBA-SNVBAGLBSA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825051912 608354732 /nfs/dbraw/zinc/35/47/32/608354732.db2.gz UNVZFGCDEVAZGA-QGHHPUGFSA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825051912 608354734 /nfs/dbraw/zinc/35/47/34/608354734.db2.gz UNVZFGCDEVAZGA-QGHHPUGFSA-N -1 1 392.464 0.670 20 0 GCADMM CO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1(C)C ZINC000826144283 608356606 /nfs/dbraw/zinc/35/66/06/608356606.db2.gz GGHABQYQOYNFPF-GHMZBOCLSA-N -1 1 390.448 0.686 20 0 GCADMM CO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1(C)C ZINC000826144283 608356608 /nfs/dbraw/zinc/35/66/08/608356608.db2.gz GGHABQYQOYNFPF-GHMZBOCLSA-N -1 1 390.448 0.686 20 0 GCADMM CC[C@@H](C[C@H](C)CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825081991 608356617 /nfs/dbraw/zinc/35/66/17/608356617.db2.gz OUSZOUDXBOSOSP-QWRGUYRKSA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@@H](C[C@H](C)CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825081991 608356618 /nfs/dbraw/zinc/35/66/18/608356618.db2.gz OUSZOUDXBOSOSP-QWRGUYRKSA-N -1 1 392.464 0.670 20 0 GCADMM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826098883 608356822 /nfs/dbraw/zinc/35/68/22/608356822.db2.gz SIEHFMWZQRJQJT-UHFFFAOYSA-N -1 1 392.420 0.072 20 0 GCADMM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826098883 608356823 /nfs/dbraw/zinc/35/68/23/608356823.db2.gz SIEHFMWZQRJQJT-UHFFFAOYSA-N -1 1 392.420 0.072 20 0 GCADMM CC(C)(C)C[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824079314 608357078 /nfs/dbraw/zinc/35/70/78/608357078.db2.gz OLOXJNKEEXCXTN-JTQLQIEISA-N -1 1 392.464 0.670 20 0 GCADMM CC(C)(C)C[C@@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824079314 608357079 /nfs/dbraw/zinc/35/70/79/608357079.db2.gz OLOXJNKEEXCXTN-JTQLQIEISA-N -1 1 392.464 0.670 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCCc2ccccn2)n1 ZINC000824148539 608357658 /nfs/dbraw/zinc/35/76/58/608357658.db2.gz ZDZSOMDMHSOIOH-UHFFFAOYSA-N -1 1 397.443 0.901 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCCc2ccccn2)n1 ZINC000824148539 608357660 /nfs/dbraw/zinc/35/76/60/608357660.db2.gz ZDZSOMDMHSOIOH-UHFFFAOYSA-N -1 1 397.443 0.901 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)n1 ZINC000824148521 608357876 /nfs/dbraw/zinc/35/78/76/608357876.db2.gz YJAYGCWGERUXJG-JTQLQIEISA-N -1 1 398.431 0.154 20 0 GCADMM C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824698726 608357990 /nfs/dbraw/zinc/35/79/90/608357990.db2.gz NSUQEMZHNIHUNU-MNOVXSKESA-N -1 1 390.448 0.519 20 0 GCADMM C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824698726 608357991 /nfs/dbraw/zinc/35/79/91/608357991.db2.gz NSUQEMZHNIHUNU-MNOVXSKESA-N -1 1 390.448 0.519 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H](CO)CC2CC2)n1 ZINC000824142900 608358121 /nfs/dbraw/zinc/35/81/21/608358121.db2.gz ZLPYUMRQXKZMBY-SNVBAGLBSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H](CO)CC2CC2)n1 ZINC000824142900 608358123 /nfs/dbraw/zinc/35/81/23/608358123.db2.gz ZLPYUMRQXKZMBY-SNVBAGLBSA-N -1 1 376.421 0.034 20 0 GCADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825908700 608358359 /nfs/dbraw/zinc/35/83/59/608358359.db2.gz LCMZHSFLWFYTRU-JQWIXIFHSA-N -1 1 390.448 0.376 20 0 GCADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825908700 608358361 /nfs/dbraw/zinc/35/83/61/608358361.db2.gz LCMZHSFLWFYTRU-JQWIXIFHSA-N -1 1 390.448 0.376 20 0 GCADMM CCC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825254191 608358758 /nfs/dbraw/zinc/35/87/58/608358758.db2.gz QZTUPDZBTALNOD-LLVKDONJSA-N -1 1 390.448 0.784 20 0 GCADMM CCC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825254191 608358760 /nfs/dbraw/zinc/35/87/60/608358760.db2.gz QZTUPDZBTALNOD-LLVKDONJSA-N -1 1 390.448 0.784 20 0 GCADMM Cc1cnccc1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826319811 608360042 /nfs/dbraw/zinc/36/00/42/608360042.db2.gz UIBLFZGPQGPTBW-UHFFFAOYSA-N -1 1 397.443 0.819 20 0 GCADMM Cc1cnccc1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826319811 608360044 /nfs/dbraw/zinc/36/00/44/608360044.db2.gz UIBLFZGPQGPTBW-UHFFFAOYSA-N -1 1 397.443 0.819 20 0 GCADMM COCCCOCCN(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826156891 608362035 /nfs/dbraw/zinc/36/20/35/608362035.db2.gz YESONEDAUGVUMA-UHFFFAOYSA-N -1 1 382.446 0.814 20 0 GCADMM CC(C)c1nc(N(C)C)nc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000824359598 608391169 /nfs/dbraw/zinc/39/11/69/608391169.db2.gz XRENOGJPYLMXSM-UHFFFAOYSA-N -1 1 386.468 0.615 20 0 GCADMM O=S(=O)(NCCNc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC000826491536 608395906 /nfs/dbraw/zinc/39/59/06/608395906.db2.gz NXOWGLOSJDVANT-UHFFFAOYSA-N -1 1 380.821 0.701 20 0 GCADMM O=S(=O)(NCCNc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC000826491536 608395907 /nfs/dbraw/zinc/39/59/07/608395907.db2.gz NXOWGLOSJDVANT-UHFFFAOYSA-N -1 1 380.821 0.701 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000825929829 608408280 /nfs/dbraw/zinc/40/82/80/608408280.db2.gz KYTACGHMRVLYIK-UHFFFAOYSA-N -1 1 384.404 0.367 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000825929829 608408281 /nfs/dbraw/zinc/40/82/81/608408281.db2.gz KYTACGHMRVLYIK-UHFFFAOYSA-N -1 1 384.404 0.367 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000825929885 608408332 /nfs/dbraw/zinc/40/83/32/608408332.db2.gz NPHWTKCKRIYRFJ-UHFFFAOYSA-N -1 1 399.415 0.675 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000825929885 608408333 /nfs/dbraw/zinc/40/83/33/608408333.db2.gz NPHWTKCKRIYRFJ-UHFFFAOYSA-N -1 1 399.415 0.675 20 0 GCADMM COc1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826216178 608408440 /nfs/dbraw/zinc/40/84/40/608408440.db2.gz NHGKQGPUTTUTRO-UHFFFAOYSA-N -1 1 385.432 0.955 20 0 GCADMM COc1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826216178 608408441 /nfs/dbraw/zinc/40/84/41/608408441.db2.gz NHGKQGPUTTUTRO-UHFFFAOYSA-N -1 1 385.432 0.955 20 0 GCADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1 ZINC000826279881 608415730 /nfs/dbraw/zinc/41/57/30/608415730.db2.gz FZPLDWJWMSGAEP-UHFFFAOYSA-N -1 1 398.408 0.951 20 0 GCADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC000824925689 608416703 /nfs/dbraw/zinc/41/67/03/608416703.db2.gz GBXQYRGSZKNOGM-KBPBESRZSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC000824925689 608416705 /nfs/dbraw/zinc/41/67/05/608416705.db2.gz GBXQYRGSZKNOGM-KBPBESRZSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC000824925700 608416894 /nfs/dbraw/zinc/41/68/94/608416894.db2.gz GBXQYRGSZKNOGM-ZIAGYGMSSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC000824925700 608416896 /nfs/dbraw/zinc/41/68/96/608416896.db2.gz GBXQYRGSZKNOGM-ZIAGYGMSSA-N -1 1 385.476 0.474 20 0 GCADMM O=S(=O)(N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC000826487584 608419068 /nfs/dbraw/zinc/41/90/68/608419068.db2.gz SNBQIBWFINLMTB-UHFFFAOYSA-N -1 1 392.367 0.630 20 0 GCADMM O=S(=O)(N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC000826487584 608419070 /nfs/dbraw/zinc/41/90/70/608419070.db2.gz SNBQIBWFINLMTB-UHFFFAOYSA-N -1 1 392.367 0.630 20 0 GCADMM OCCN(Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826510093 608428474 /nfs/dbraw/zinc/42/84/74/608428474.db2.gz XPPDOQFLCBCGGW-UHFFFAOYSA-N -1 1 377.412 0.900 20 0 GCADMM OCCN(Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826510093 608428476 /nfs/dbraw/zinc/42/84/76/608428476.db2.gz XPPDOQFLCBCGGW-UHFFFAOYSA-N -1 1 377.412 0.900 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000824505446 608432480 /nfs/dbraw/zinc/43/24/80/608432480.db2.gz DADNDFLDUUDDAZ-JQWIXIFHSA-N -1 1 376.421 0.775 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000824505446 608432482 /nfs/dbraw/zinc/43/24/82/608432482.db2.gz DADNDFLDUUDDAZ-JQWIXIFHSA-N -1 1 376.421 0.775 20 0 GCADMM COc1ccccc1NC(=O)CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826220262 608435440 /nfs/dbraw/zinc/43/54/40/608435440.db2.gz HZLDYBNUAJJQBF-UHFFFAOYSA-N -1 1 395.427 0.426 20 0 GCADMM COc1ccccc1NC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826220262 608435441 /nfs/dbraw/zinc/43/54/41/608435441.db2.gz HZLDYBNUAJJQBF-UHFFFAOYSA-N -1 1 395.427 0.426 20 0 GCADMM CCN1CCOC[C@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825465678 608454897 /nfs/dbraw/zinc/45/48/97/608454897.db2.gz PPZSLCDVQGIHCR-NSHDSACASA-N -1 1 378.389 0.279 20 0 GCADMM CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826145439 608472245 /nfs/dbraw/zinc/47/22/45/608472245.db2.gz GNHIAKKMWYFZTJ-PWSUYJOCSA-N -1 1 390.448 0.688 20 0 GCADMM CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826145439 608472247 /nfs/dbraw/zinc/47/22/47/608472247.db2.gz GNHIAKKMWYFZTJ-PWSUYJOCSA-N -1 1 390.448 0.688 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccccc2Br)c1=O ZINC000826356665 608543911 /nfs/dbraw/zinc/54/39/11/608543911.db2.gz AIMGEFOLJVOQKU-UHFFFAOYSA-N -1 1 393.201 0.569 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824505832 608557269 /nfs/dbraw/zinc/55/72/69/608557269.db2.gz IBPMZUVRYQUHKM-VIFPVBQESA-N -1 1 393.452 0.476 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824505832 608557272 /nfs/dbraw/zinc/55/72/72/608557272.db2.gz IBPMZUVRYQUHKM-VIFPVBQESA-N -1 1 393.452 0.476 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1c2c(nn1C)CCCC2 ZINC000825929214 608557945 /nfs/dbraw/zinc/55/79/45/608557945.db2.gz CWEUKBQITFZUFC-UHFFFAOYSA-N -1 1 384.448 0.489 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c2c(nn1C)CCCC2 ZINC000825929214 608557947 /nfs/dbraw/zinc/55/79/47/608557947.db2.gz CWEUKBQITFZUFC-UHFFFAOYSA-N -1 1 384.448 0.489 20 0 GCADMM Cc1[nH]nc(C(F)(F)F)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826233570 608558570 /nfs/dbraw/zinc/55/85/70/608558570.db2.gz MMVXQQZETXGYFI-UHFFFAOYSA-N -1 1 398.353 0.927 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000825935090 608558611 /nfs/dbraw/zinc/55/86/11/608558611.db2.gz UMXUSUALCMNECV-HHHXNRCGSA-N -1 1 388.457 0.614 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000825935090 608558612 /nfs/dbraw/zinc/55/86/12/608558612.db2.gz UMXUSUALCMNECV-HHHXNRCGSA-N -1 1 388.457 0.614 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(-c2ccccn2)no1 ZINC000825929115 608560337 /nfs/dbraw/zinc/56/03/37/608560337.db2.gz AQNMAKBNYHHJKN-UHFFFAOYSA-N -1 1 394.399 0.927 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-c2ccccn2)no1 ZINC000825929115 608560339 /nfs/dbraw/zinc/56/03/39/608560339.db2.gz AQNMAKBNYHHJKN-UHFFFAOYSA-N -1 1 394.399 0.927 20 0 GCADMM Cc1ncc(Cl)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826330224 608560803 /nfs/dbraw/zinc/56/08/03/608560803.db2.gz KRQMWCFLAYXCMM-UHFFFAOYSA-N -1 1 376.812 0.629 20 0 GCADMM Cc1ncc(Cl)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826330224 608560804 /nfs/dbraw/zinc/56/08/04/608560804.db2.gz KRQMWCFLAYXCMM-UHFFFAOYSA-N -1 1 376.812 0.629 20 0 GCADMM CN(CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000825938081 608562686 /nfs/dbraw/zinc/56/26/86/608562686.db2.gz OFAPKQDSQZXLLA-UHFFFAOYSA-N -1 1 397.461 0.749 20 0 GCADMM CN(CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000825938081 608562687 /nfs/dbraw/zinc/56/26/87/608562687.db2.gz OFAPKQDSQZXLLA-UHFFFAOYSA-N -1 1 397.461 0.749 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCSC[C@H]1CO ZINC000826494621 608567337 /nfs/dbraw/zinc/56/73/37/608567337.db2.gz JWLJWHLEIQWKMK-SECBINFHSA-N -1 1 375.863 0.619 20 0 GCADMM CON(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826166719 608574621 /nfs/dbraw/zinc/57/46/21/608574621.db2.gz XQGBKIMMVHVRNF-UHFFFAOYSA-N -1 1 388.388 0.257 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccccc2)CC(C)(C)O)n(C)c1=O ZINC000826355703 608588600 /nfs/dbraw/zinc/58/86/00/608588600.db2.gz JYQWNWHLUHAGCQ-UHFFFAOYSA-N -1 1 385.428 0.042 20 0 GCADMM COCc1cnc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000826165436 608590139 /nfs/dbraw/zinc/59/01/39/608590139.db2.gz UPWUXORPDDYAHF-NSHDSACASA-N -1 1 387.473 0.970 20 0 GCADMM COCc1cnc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000826165436 608590141 /nfs/dbraw/zinc/59/01/41/608590141.db2.gz UPWUXORPDDYAHF-NSHDSACASA-N -1 1 387.473 0.970 20 0 GCADMM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825897658 608617861 /nfs/dbraw/zinc/61/78/61/608617861.db2.gz JZMSVFZGMXIMPK-UHFFFAOYSA-N -1 1 375.838 0.132 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1nccn2c(Br)cnc12 ZINC000826395943 608861314 /nfs/dbraw/zinc/86/13/14/608861314.db2.gz ZPWNAUXLCNCAJJ-UHFFFAOYSA-N -1 1 375.150 0.139 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCNC(=O)N(C)C ZINC000826233057 608863436 /nfs/dbraw/zinc/86/34/36/608863436.db2.gz SDOCXUXTWMCGOX-UHFFFAOYSA-N -1 1 390.448 0.246 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cnn(C)c1C(F)F ZINC000825929278 609161412 /nfs/dbraw/zinc/16/14/12/609161412.db2.gz DZYHIFHERUQKKH-UHFFFAOYSA-N -1 1 395.378 0.940 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cnn(C)c1C(F)F ZINC000825929278 609161414 /nfs/dbraw/zinc/16/14/14/609161414.db2.gz DZYHIFHERUQKKH-UHFFFAOYSA-N -1 1 395.378 0.940 20 0 GCADMM CC(C)n1cc2c(n1)[C@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CCC2 ZINC000824371533 609171740 /nfs/dbraw/zinc/17/17/40/609171740.db2.gz IZCDJZBIFOLQAY-LLVKDONJSA-N -1 1 385.432 0.531 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826395113 609262816 /nfs/dbraw/zinc/26/28/16/609262816.db2.gz NIRNKQMZJNPDDD-UHFFFAOYSA-N -1 1 389.397 0.270 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000826395387 609262885 /nfs/dbraw/zinc/26/28/85/609262885.db2.gz YTUYZBGKJRAXQH-UHFFFAOYSA-N -1 1 396.335 0.750 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826395154 609262947 /nfs/dbraw/zinc/26/29/47/609262947.db2.gz OTEBJQZACCBBAP-UHFFFAOYSA-N -1 1 395.788 0.520 20 0 GCADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC(=O)NC1CC1 ZINC000826414491 609280112 /nfs/dbraw/zinc/28/01/12/609280112.db2.gz YTQLOMYDKYASNM-UHFFFAOYSA-N -1 1 385.363 0.592 20 0 GCADMM CS(=O)(=O)CCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826222680 609287619 /nfs/dbraw/zinc/28/76/19/609287619.db2.gz HPBSZPWDIQLZGO-UHFFFAOYSA-N -1 1 393.404 0.955 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000825930034 609299254 /nfs/dbraw/zinc/29/92/54/609299254.db2.gz OMXGSACRJVMEEL-UHFFFAOYSA-N -1 1 398.431 0.045 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000825930034 609299255 /nfs/dbraw/zinc/29/92/55/609299255.db2.gz OMXGSACRJVMEEL-UHFFFAOYSA-N -1 1 398.431 0.045 20 0 GCADMM Cc1nc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000826325421 609299828 /nfs/dbraw/zinc/29/98/28/609299828.db2.gz XBQCACGRNFTEPE-UHFFFAOYSA-N -1 1 390.477 0.754 20 0 GCADMM Cc1nc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000826325421 609299829 /nfs/dbraw/zinc/29/98/29/609299829.db2.gz XBQCACGRNFTEPE-UHFFFAOYSA-N -1 1 390.477 0.754 20 0 GCADMM Cc1ncc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826329920 609301684 /nfs/dbraw/zinc/30/16/84/609301684.db2.gz XYSVRDFEMVXDML-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM Cc1ncc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826329920 609301685 /nfs/dbraw/zinc/30/16/85/609301685.db2.gz XYSVRDFEMVXDML-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM CC(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824224698 609303492 /nfs/dbraw/zinc/30/34/92/609303492.db2.gz QBERISSRHOCQMP-FZMZJTMJSA-N -1 1 391.480 0.807 20 0 GCADMM CC(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824224698 609303494 /nfs/dbraw/zinc/30/34/94/609303494.db2.gz QBERISSRHOCQMP-FZMZJTMJSA-N -1 1 391.480 0.807 20 0 GCADMM Cc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000826287655 609303529 /nfs/dbraw/zinc/30/35/29/609303529.db2.gz XLQAROWGOMFDGM-UHFFFAOYSA-N -1 1 384.448 0.692 20 0 GCADMM Cc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000826287655 609303531 /nfs/dbraw/zinc/30/35/31/609303531.db2.gz XLQAROWGOMFDGM-UHFFFAOYSA-N -1 1 384.448 0.692 20 0 GCADMM C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccncc1 ZINC000824420405 609303562 /nfs/dbraw/zinc/30/35/62/609303562.db2.gz JKFCNPAXAUOESL-NSHDSACASA-N -1 1 384.448 0.945 20 0 GCADMM C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccncc1 ZINC000824420405 609303564 /nfs/dbraw/zinc/30/35/64/609303564.db2.gz JKFCNPAXAUOESL-NSHDSACASA-N -1 1 384.448 0.945 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC1CCC(C)(O)CC1 ZINC000825929194 609304094 /nfs/dbraw/zinc/30/40/94/609304094.db2.gz CFIQMJXLJHXSCZ-UHFFFAOYSA-N -1 1 377.453 0.440 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC1CCC(C)(O)CC1 ZINC000825929194 609304095 /nfs/dbraw/zinc/30/40/95/609304095.db2.gz CFIQMJXLJHXSCZ-UHFFFAOYSA-N -1 1 377.453 0.440 20 0 GCADMM C[C@@H](O)CC(C)(C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824686353 609304139 /nfs/dbraw/zinc/30/41/39/609304139.db2.gz BURZNSICOCYCHR-SNVBAGLBSA-N -1 1 379.469 0.543 20 0 GCADMM C[C@@H](O)CC(C)(C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824686353 609304141 /nfs/dbraw/zinc/30/41/41/609304141.db2.gz BURZNSICOCYCHR-SNVBAGLBSA-N -1 1 379.469 0.543 20 0 GCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824402955 609309215 /nfs/dbraw/zinc/30/92/15/609309215.db2.gz ZGQZBYZJFDIQGB-MNOVXSKESA-N -1 1 377.453 0.561 20 0 GCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824402955 609309217 /nfs/dbraw/zinc/30/92/17/609309217.db2.gz ZGQZBYZJFDIQGB-MNOVXSKESA-N -1 1 377.453 0.561 20 0 GCADMM CC(C)[C@@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824216463 609309325 /nfs/dbraw/zinc/30/93/25/609309325.db2.gz RVWWHRXSRVDBIW-YPMHNXCESA-N -1 1 391.480 0.950 20 0 GCADMM CC(C)[C@@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824216463 609309326 /nfs/dbraw/zinc/30/93/26/609309326.db2.gz RVWWHRXSRVDBIW-YPMHNXCESA-N -1 1 391.480 0.950 20 0 GCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824402957 609309466 /nfs/dbraw/zinc/30/94/66/609309466.db2.gz ZGQZBYZJFDIQGB-WDEREUQCSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824402957 609309468 /nfs/dbraw/zinc/30/94/68/609309468.db2.gz ZGQZBYZJFDIQGB-WDEREUQCSA-N -1 1 377.453 0.561 20 0 GCADMM CCOC(=O)CC[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825506533 609310208 /nfs/dbraw/zinc/31/02/08/609310208.db2.gz LHZAZVCUWTXLDA-SNVBAGLBSA-N -1 1 393.452 0.478 20 0 GCADMM CCOC(=O)CC[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825506533 609310210 /nfs/dbraw/zinc/31/02/10/609310210.db2.gz LHZAZVCUWTXLDA-SNVBAGLBSA-N -1 1 393.452 0.478 20 0 GCADMM CN1CC(=O)N(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1=O ZINC000826018274 609311052 /nfs/dbraw/zinc/31/10/52/609311052.db2.gz ULHZWQPZNRKFNV-UHFFFAOYSA-N -1 1 399.346 0.024 20 0 GCADMM O=C(Cn1ccccc1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826424546 609312304 /nfs/dbraw/zinc/31/23/04/609312304.db2.gz RCNJRTZXPCFGQN-UHFFFAOYSA-N -1 1 380.343 0.992 20 0 GCADMM NC(=O)N1CCC[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000826392076 609312349 /nfs/dbraw/zinc/31/23/49/609312349.db2.gz MUKGXQNQYBLPDX-JTQLQIEISA-N -1 1 399.390 0.921 20 0 GCADMM CCS(=O)(=O)NCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825663026 609313103 /nfs/dbraw/zinc/31/31/03/609313103.db2.gz GTMRVFXPUFRYBP-UHFFFAOYSA-N -1 1 394.392 0.069 20 0 GCADMM NC(=O)c1nccnc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826393951 609313223 /nfs/dbraw/zinc/31/32/23/609313223.db2.gz QNYCHIPIMUAFDQ-UHFFFAOYSA-N -1 1 394.330 0.333 20 0 GCADMM COCC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(C)o1 ZINC000826155518 609323011 /nfs/dbraw/zinc/32/30/11/609323011.db2.gz SIRDSBJWODROLQ-SNVBAGLBSA-N -1 1 375.389 0.355 20 0 GCADMM C[C@@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824401164 609331923 /nfs/dbraw/zinc/33/19/23/609331923.db2.gz NOWBIMUXYJNWGL-JTQLQIEISA-N -1 1 397.461 0.843 20 0 GCADMM C[C@@H](CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824401164 609331925 /nfs/dbraw/zinc/33/19/25/609331925.db2.gz NOWBIMUXYJNWGL-JTQLQIEISA-N -1 1 397.461 0.843 20 0 GCADMM COCCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826156075 609353406 /nfs/dbraw/zinc/35/34/06/609353406.db2.gz OMIUVJASRUTTPV-UHFFFAOYSA-N -1 1 388.363 0.283 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CCCCNC1=O ZINC000826458539 609359528 /nfs/dbraw/zinc/35/95/28/609359528.db2.gz UKVZWHNQEIHDTJ-NSHDSACASA-N -1 1 399.390 0.982 20 0 GCADMM COC[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)OC ZINC000826149546 609364211 /nfs/dbraw/zinc/36/42/11/609364211.db2.gz JZSJHYNZQLNYAX-SNVBAGLBSA-N -1 1 390.379 0.974 20 0 GCADMM O=S(=O)(NC1CCCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000826488488 609366568 /nfs/dbraw/zinc/36/65/68/609366568.db2.gz RFRNGQYPVRRZRX-LBPRGKRZSA-N -1 1 378.462 0.488 20 0 GCADMM O=S(=O)(NC1CCCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000826488488 609366571 /nfs/dbraw/zinc/36/65/71/609366571.db2.gz RFRNGQYPVRRZRX-LBPRGKRZSA-N -1 1 378.462 0.488 20 0 GCADMM O=C(NCc1cocn1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443209 609366659 /nfs/dbraw/zinc/36/66/59/609366659.db2.gz GGJJUEMRWCMIOF-UHFFFAOYSA-N -1 1 397.330 0.434 20 0 GCADMM COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826129633 609368641 /nfs/dbraw/zinc/36/86/41/609368641.db2.gz XCSBWQKIDCCTHD-VXGBXAGGSA-N -1 1 392.416 0.667 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1CC=CCC1 ZINC000826458287 609369610 /nfs/dbraw/zinc/36/96/10/609369610.db2.gz KLRZPPPXWBDCRX-UHFFFAOYSA-N -1 1 382.359 0.919 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CC[C@H](C)[C@@H](F)C3)CC2)o1 ZINC000826322756 609374501 /nfs/dbraw/zinc/37/45/01/609374501.db2.gz ALSFHCBGCBHVKL-AAEUAGOBSA-N -1 1 392.439 0.492 20 0 GCADMM CN1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1=O ZINC000826045369 609397798 /nfs/dbraw/zinc/39/77/98/609397798.db2.gz VQMDBNBBORLDBJ-UHFFFAOYSA-N -1 1 376.320 0.306 20 0 GCADMM Cn1cc(Br)c(=O)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826358505 609404729 /nfs/dbraw/zinc/40/47/29/609404729.db2.gz WSQQNYOHRJSERA-UHFFFAOYSA-N -1 1 376.174 0.975 20 0 GCADMM Cn1cc(Br)c(=O)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826358505 609404730 /nfs/dbraw/zinc/40/47/30/609404730.db2.gz WSQQNYOHRJSERA-UHFFFAOYSA-N -1 1 376.174 0.975 20 0 GCADMM CNC(=O)[C@H]1CN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CCO1 ZINC000826060668 609431062 /nfs/dbraw/zinc/43/10/62/609431062.db2.gz QLDRQPRLZWSTII-OAHLLOKOSA-N -1 1 382.428 0.308 20 0 GCADMM O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826479655 609438704 /nfs/dbraw/zinc/43/87/04/609438704.db2.gz DYTGMWMVUASVCV-RISCZKNCSA-N -1 1 395.416 0.765 20 0 GCADMM O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826479653 609439014 /nfs/dbraw/zinc/43/90/14/609439014.db2.gz DYTGMWMVUASVCV-BXUZGUMPSA-N -1 1 395.416 0.765 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826496156 609447314 /nfs/dbraw/zinc/44/73/14/609447314.db2.gz MTDJLKLSHXTAEH-NSHDSACASA-N -1 1 392.420 0.698 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826496156 609447316 /nfs/dbraw/zinc/44/73/16/609447316.db2.gz MTDJLKLSHXTAEH-NSHDSACASA-N -1 1 392.420 0.698 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H]1CCCN(C)C1=O ZINC000826328144 609465357 /nfs/dbraw/zinc/46/53/57/609465357.db2.gz HIKFYRDORJCITQ-CQSZACIVSA-N -1 1 398.427 0.623 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H]1CCCN(C)C1=O ZINC000826328144 609465359 /nfs/dbraw/zinc/46/53/59/609465359.db2.gz HIKFYRDORJCITQ-CQSZACIVSA-N -1 1 398.427 0.623 20 0 GCADMM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CCO2)no1 ZINC000826324826 609497080 /nfs/dbraw/zinc/49/70/80/609497080.db2.gz GJHHGHIQSPUQDE-GFCCVEGCSA-N -1 1 395.376 0.459 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)c1cnn(C)c1 ZINC000825000554 609506056 /nfs/dbraw/zinc/50/60/56/609506056.db2.gz SGKLWISGQAGCRY-LBPRGKRZSA-N -1 1 396.459 0.405 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)c1cnn(C)c1 ZINC000825000554 609506058 /nfs/dbraw/zinc/50/60/58/609506058.db2.gz SGKLWISGQAGCRY-LBPRGKRZSA-N -1 1 396.459 0.405 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826496541 609572632 /nfs/dbraw/zinc/57/26/32/609572632.db2.gz ZNKLNMDUGWGWJR-QWHCGFSZSA-N -1 1 396.448 0.226 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826496541 609572633 /nfs/dbraw/zinc/57/26/33/609572633.db2.gz ZNKLNMDUGWGWJR-QWHCGFSZSA-N -1 1 396.448 0.226 20 0 GCADMM COc1cccc([C@H]2C[C@H](C)CN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000826214917 609592974 /nfs/dbraw/zinc/59/29/74/609592974.db2.gz ASAARNIRHBITNC-SMDDNHRTSA-N -1 1 397.439 0.860 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000826494835 609609645 /nfs/dbraw/zinc/60/96/45/609609645.db2.gz RFISUBYWJRABMT-LBPRGKRZSA-N -1 1 394.457 0.468 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000826494835 609609648 /nfs/dbraw/zinc/60/96/48/609609648.db2.gz RFISUBYWJRABMT-LBPRGKRZSA-N -1 1 394.457 0.468 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000824472574 609638493 /nfs/dbraw/zinc/63/84/93/609638493.db2.gz WWFUPATYSCNPIH-GHMZBOCLSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824472574 609638495 /nfs/dbraw/zinc/63/84/95/609638495.db2.gz WWFUPATYSCNPIH-GHMZBOCLSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000824472581 609638635 /nfs/dbraw/zinc/63/86/35/609638635.db2.gz WWFUPATYSCNPIH-WDEREUQCSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824472581 609638636 /nfs/dbraw/zinc/63/86/36/609638636.db2.gz WWFUPATYSCNPIH-WDEREUQCSA-N -1 1 390.448 0.688 20 0 GCADMM CCN1C[C@@H](S(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)CC1=O ZINC000866839935 638428727 /nfs/dbraw/zinc/42/87/27/638428727.db2.gz QWQGVLVIMIXGAY-GXTWGEPZSA-N -1 1 380.388 0.977 20 0 GCADMM CCCCNC(=O)N[N-]C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000064885006 638466541 /nfs/dbraw/zinc/46/65/41/638466541.db2.gz GAHJENXAVWXWOM-UHFFFAOYSA-N -1 1 393.263 0.841 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)o1 ZINC000046315452 638469996 /nfs/dbraw/zinc/46/99/96/638469996.db2.gz JQZHAAJKXOAAMS-MRVPVSSYSA-N -1 1 375.403 0.357 20 0 GCADMM COC(=O)NCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000308502988 638602553 /nfs/dbraw/zinc/60/25/53/638602553.db2.gz XUGGZFBVVAPEPR-UHFFFAOYSA-N -1 1 382.192 0.992 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC000737957189 638648733 /nfs/dbraw/zinc/64/87/33/638648733.db2.gz UQKGTTKBTRPYPA-UHFFFAOYSA-N -1 1 392.390 0.298 20 0 GCADMM NC(=O)[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(Br)c1 ZINC000727853782 639043415 /nfs/dbraw/zinc/04/34/15/639043415.db2.gz XXDYJPVACHQUES-GFCCVEGCSA-N -1 1 395.213 0.032 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(F)c1 ZINC000728291561 639074702 /nfs/dbraw/zinc/07/47/02/639074702.db2.gz JSRWAZNSDUTKMS-UHFFFAOYSA-N -1 1 394.446 0.725 20 0 GCADMM COC(=O)[C@](C)(CO)NC(=O)c1cc(I)ccc1[O-] ZINC000909594498 639100205 /nfs/dbraw/zinc/10/02/05/639100205.db2.gz OHQBAHONIJQMPX-LBPRGKRZSA-N -1 1 379.150 0.651 20 0 GCADMM COC(=O)CC1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCOCC1 ZINC000866923848 639105470 /nfs/dbraw/zinc/10/54/70/639105470.db2.gz AWXYFDJUBPVORL-UHFFFAOYSA-N -1 1 385.364 0.830 20 0 GCADMM O=C(Cn1ccc(Br)cc1=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476421 639386570 /nfs/dbraw/zinc/38/65/70/639386570.db2.gz MZNGXRAQOXDOFL-VIFPVBQESA-N -1 1 385.247 0.441 20 0 GCADMM C[C@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc(N(C)C)n[nH]2)C1 ZINC000348364204 639468012 /nfs/dbraw/zinc/46/80/12/639468012.db2.gz ATRXYVAFGMTYTC-QWRGUYRKSA-N -1 1 394.523 0.111 20 0 GCADMM O=C([O-])[C@H](F)C1CN(C(=O)c2cnc(I)c(O)c2)C1 ZINC000910123163 639481738 /nfs/dbraw/zinc/48/17/38/639481738.db2.gz GZBJEMHYGVRWDE-MRVPVSSYSA-N -1 1 380.113 0.887 20 0 GCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCN(C)C(=O)OC(C)(C)C ZINC000912530683 639542498 /nfs/dbraw/zinc/54/24/98/639542498.db2.gz NPRUZKZTQJFIQT-UHFFFAOYSA-N -1 1 376.435 0.732 20 0 GCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNC(=O)c1ccc(Cl)cc1 ZINC000912531018 639542536 /nfs/dbraw/zinc/54/25/36/639542536.db2.gz RVUPQBKSJQKIAB-UHFFFAOYSA-N -1 1 386.817 0.558 20 0 GCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000912543498 639543338 /nfs/dbraw/zinc/54/33/38/639543338.db2.gz YIHXCAZXKQSJKA-MRVPVSSYSA-N -1 1 384.336 0.028 20 0 GCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000912544229 639544203 /nfs/dbraw/zinc/54/42/03/639544203.db2.gz WDYNGIMCNRKDLR-CQSZACIVSA-N -1 1 386.817 0.529 20 0 GCADMM C[C@]1(CO)C[C@@H](O)CN1C(=O)c1ccc(I)cc1[O-] ZINC000912677101 639549524 /nfs/dbraw/zinc/54/95/24/639549524.db2.gz MLQJAEFBZVOPSB-NOZJJQNGSA-N -1 1 377.178 0.955 20 0 GCADMM O=C(c1cncc(I)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496427 639580727 /nfs/dbraw/zinc/58/07/27/639580727.db2.gz ZZYQXJPMNBRISX-SECBINFHSA-N -1 1 386.153 0.413 20 0 GCADMM O=C(c1csc(I)n1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913498962 639580741 /nfs/dbraw/zinc/58/07/41/639580741.db2.gz SIBUDWKEMHYCLG-ZCFIWIBFSA-N -1 1 392.182 0.475 20 0 GCADMM O=C(c1nscc1I)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913498491 639580813 /nfs/dbraw/zinc/58/08/13/639580813.db2.gz HUOCEVFFVFVZLI-ZCFIWIBFSA-N -1 1 392.182 0.475 20 0 GCADMM Cc1cc(C)[nH]c(=NNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000057115424 639592963 /nfs/dbraw/zinc/59/29/63/639592963.db2.gz HYWXHPFCJJPYOW-UHFFFAOYSA-N -1 1 389.434 0.909 20 0 GCADMM CC(=O)NC1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000590609676 639597513 /nfs/dbraw/zinc/59/75/13/639597513.db2.gz ZEUUBFGHMNYYOW-UHFFFAOYSA-N -1 1 393.462 0.486 20 0 GCADMM CCN(CC)S(=O)(=O)c1ccc(=O)n(CCC[N-]C(=O)C(F)(F)F)c1 ZINC000158152573 639627741 /nfs/dbraw/zinc/62/77/41/639627741.db2.gz WBQNZRAHRWRYLV-UHFFFAOYSA-N -1 1 383.392 0.947 20 0 GCADMM O=C(COC(=O)CNC(=O)OCC(F)(F)F)N[N-]C(=O)c1cccs1 ZINC000062480958 639636075 /nfs/dbraw/zinc/63/60/75/639636075.db2.gz PKOBUDUVUKXQKL-UHFFFAOYSA-N -1 1 383.304 0.341 20 0 GCADMM CCS(=O)(=O)CC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000064080455 639640314 /nfs/dbraw/zinc/64/03/14/639640314.db2.gz BBNIPKURMBNCRP-UHFFFAOYSA-N -1 1 379.337 0.522 20 0 GCADMM Cn1ncc(I)c1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913746452 639652469 /nfs/dbraw/zinc/65/24/69/639652469.db2.gz UQOGUAUZTXNDEU-UHFFFAOYSA-N -1 1 387.185 0.558 20 0 GCADMM NS(=O)(=O)c1ccc(CC(=O)OCC(=O)[N-]C(=O)c2ccccc2)s1 ZINC000914960949 639755489 /nfs/dbraw/zinc/75/54/89/639755489.db2.gz CAXZKFHZOXEUOZ-UHFFFAOYSA-N -1 1 382.419 0.438 20 0 GCADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCNS(=O)(=O)CC ZINC000731713851 639776471 /nfs/dbraw/zinc/77/64/71/639776471.db2.gz DAJSHKPKPJWZGX-UHFFFAOYSA-N -1 1 378.472 0.934 20 0 GCADMM O=C(NCc1nn[n-]n1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000731873470 639781641 /nfs/dbraw/zinc/78/16/41/639781641.db2.gz RSYFYDVPLWRUMC-UHFFFAOYSA-N -1 1 384.849 0.958 20 0 GCADMM O=C(CN1C(=S)N=NC1c1cccs1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091223 639790651 /nfs/dbraw/zinc/79/06/51/639790651.db2.gz WCAWLZLBQCELEV-MRVPVSSYSA-N -1 1 378.443 0.409 20 0 GCADMM CN(CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)C(=O)c1ccc(Br)o1 ZINC000732092332 639791494 /nfs/dbraw/zinc/79/14/94/639791494.db2.gz YBDKQQWIEVGSJR-VIFPVBQESA-N -1 1 399.205 0.227 20 0 GCADMM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)[C@@H]1CN(C)CCN1C ZINC000919974099 639910810 /nfs/dbraw/zinc/91/08/10/639910810.db2.gz HNZLGNYPGUUZRG-RLVYNTFLSA-N -1 1 392.522 0.751 20 0 GCADMM CCN1CCC[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1=O ZINC000921490718 639947744 /nfs/dbraw/zinc/94/77/44/639947744.db2.gz QHDKYGYFPOQNGX-SECBINFHSA-N -1 1 379.280 0.780 20 0 GCADMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NS(C)(=O)=O ZINC000068940544 639956934 /nfs/dbraw/zinc/95/69/34/639956934.db2.gz RMQACRFQUBQFMB-UHFFFAOYSA-N -1 1 385.851 0.854 20 0 GCADMM CNC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000734491800 639997577 /nfs/dbraw/zinc/99/75/77/639997577.db2.gz PWFVRVCDUGHVDD-UHFFFAOYSA-N -1 1 397.222 0.789 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)[N-]CCC(N)=O)c(F)cc1Br ZINC000742277387 640237475 /nfs/dbraw/zinc/23/74/75/640237475.db2.gz NTSVKRMNDNZLHS-UHFFFAOYSA-N -1 1 383.195 0.529 20 0 GCADMM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000745099913 640276837 /nfs/dbraw/zinc/27/68/37/640276837.db2.gz ZVKIKTAECUVLLA-UHFFFAOYSA-N -1 1 382.419 0.946 20 0 GCADMM CCC(CC)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)SC ZINC000746324854 640292230 /nfs/dbraw/zinc/29/22/30/640292230.db2.gz UVHZCAWTHQNECK-UHFFFAOYSA-N -1 1 377.488 0.695 20 0 GCADMM COc1cc(C)[n-]c(=NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000747654618 640313976 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O=C(NCCCc1n[nH]c(=O)[n-]1)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000436983761 1195055243 /nfs/dbraw/zinc/05/52/43/1195055243.db2.gz DBXUIUCNKONKMR-UHFFFAOYSA-N -1 1 395.441 0.363 20 0 GCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC000437353904 1195100440 /nfs/dbraw/zinc/10/04/40/1195100440.db2.gz FSPUJABJTNAWRD-NWDGAFQWSA-N -1 1 397.840 0.983 20 0 GCADMM CCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1 ZINC000425798055 1195102269 /nfs/dbraw/zinc/10/22/69/1195102269.db2.gz FRPNODAFAAGAGT-UHFFFAOYSA-N -1 1 398.441 0.044 20 0 GCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2nnnn2-c2ccccc2)o1 ZINC000516901923 1195109734 /nfs/dbraw/zinc/10/97/34/1195109734.db2.gz OMUZUCWECKWJAA-UHFFFAOYSA-N -1 1 377.382 0.911 20 0 GCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3=O)CC2)n1 ZINC000425842628 1195135439 /nfs/dbraw/zinc/13/54/39/1195135439.db2.gz IMAVVWNXOVSRJO-NSHDSACASA-N -1 1 392.416 0.018 20 0 GCADMM COCc1nnc(S(=O)(=O)CC(=O)Nc2cccc(N3CCCC3=O)c2)[n-]1 ZINC000517215375 1195156433 /nfs/dbraw/zinc/15/64/33/1195156433.db2.gz FVAYWGHFHJCUOY-UHFFFAOYSA-N -1 1 393.425 0.490 20 0 GCADMM COCc1nc(S(=O)(=O)CC(=O)Nc2cccc(N3CCCC3=O)c2)n[n-]1 ZINC000517215375 1195156437 /nfs/dbraw/zinc/15/64/37/1195156437.db2.gz FVAYWGHFHJCUOY-UHFFFAOYSA-N -1 1 393.425 0.490 20 0 GCADMM CCOC(=O)c1cc(NC(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)n[n-]1 ZINC000517216673 1195156606 /nfs/dbraw/zinc/15/66/06/1195156606.db2.gz DSJFENNILCVZPY-UHFFFAOYSA-N -1 1 377.382 0.451 20 0 GCADMM Cc1ccc([C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437859680 1195168352 /nfs/dbraw/zinc/16/83/52/1195168352.db2.gz OJOXZTPOLBDRQS-XHDPSFHLSA-N -1 1 389.437 0.630 20 0 GCADMM Cc1ccc([C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437859675 1195168780 /nfs/dbraw/zinc/16/87/80/1195168780.db2.gz OJOXZTPOLBDRQS-ABAIWWIYSA-N -1 1 389.437 0.630 20 0 GCADMM CCCNC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CC1 ZINC000517413137 1195180561 /nfs/dbraw/zinc/18/05/61/1195180561.db2.gz 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CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3nnn[n-]3)s2)c1 ZINC000439272936 1195303135 /nfs/dbraw/zinc/30/31/35/1195303135.db2.gz LWOPAOTYERTDFN-UHFFFAOYSA-N -1 1 391.442 1.484 20 0 GCADMM CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3nn[n-]n3)s2)c1 ZINC000439272936 1195303139 /nfs/dbraw/zinc/30/31/39/1195303139.db2.gz LWOPAOTYERTDFN-UHFFFAOYSA-N -1 1 391.442 1.484 20 0 GCADMM CCN(CCC(=O)OC)C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000518815088 1195336809 /nfs/dbraw/zinc/33/68/09/1195336809.db2.gz QUDDJJMQZUCPGD-UHFFFAOYSA-N -1 1 380.445 0.671 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(N3CCOCC3)ccn2)c1 ZINC000439748298 1195346149 /nfs/dbraw/zinc/34/61/49/1195346149.db2.gz BLZPGDBZZGXCBB-UHFFFAOYSA-N -1 1 378.410 0.524 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)o1 ZINC000519023185 1195361433 /nfs/dbraw/zinc/36/14/33/1195361433.db2.gz COBYFUUDCMVFCB-UHFFFAOYSA-N -1 1 392.441 0.460 20 0 GCADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000519216610 1195382849 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383.364 0.920 20 0 GCADMM CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C1 ZINC000473813413 1195468653 /nfs/dbraw/zinc/46/86/53/1195468653.db2.gz OFMATGWXBSLFBV-GFCCVEGCSA-N -1 1 399.473 0.992 20 0 GCADMM CCNC(=O)N1CC[C@H](NC(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C1 ZINC000473813415 1195468859 /nfs/dbraw/zinc/46/88/59/1195468859.db2.gz OFMATGWXBSLFBV-LBPRGKRZSA-N -1 1 399.473 0.992 20 0 GCADMM CS(=O)(=O)CCNC(=O)[C@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2 ZINC001270685301 1195482862 /nfs/dbraw/zinc/48/28/62/1195482862.db2.gz MQEFHQQSKLTYRA-GFCCVEGCSA-N -1 1 381.454 0.190 20 0 GCADMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)NCC2(c3ccccc3)CC2)n1 ZINC000506965550 1195483033 /nfs/dbraw/zinc/48/30/33/1195483033.db2.gz WVGMEPFQHLOFSN-UHFFFAOYSA-N -1 1 377.422 0.818 20 0 GCADMM COc1ccc(NC(=O)C(=O)N(C)[C@H]2CCCOC2)cc1[N-]S(C)(=O)=O ZINC000507035582 1195487052 /nfs/dbraw/zinc/48/70/52/1195487052.db2.gz ACWLETFSABRCFQ-LBPRGKRZSA-N -1 1 385.442 0.643 20 0 GCADMM 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GCADMM O=C(C[C@@H]1CCC(=O)N1)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571259854 945400870 /nfs/dbraw/zinc/40/08/70/945400870.db2.gz LNZOXWNSVBOVJV-MCIGGMRASA-N -1 1 385.432 0.165 20 0 GCADMM O=C(C[C@@H]1CCC(=O)N1)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571259854 945400876 /nfs/dbraw/zinc/40/08/76/945400876.db2.gz LNZOXWNSVBOVJV-MCIGGMRASA-N -1 1 385.432 0.165 20 0 GCADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CN1CCCC1=O ZINC001571260259 945412673 /nfs/dbraw/zinc/41/26/73/945412673.db2.gz ZFHOTVJRHMKHSB-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CN1CCCC1=O ZINC001571260259 945412678 /nfs/dbraw/zinc/41/26/78/945412678.db2.gz ZFHOTVJRHMKHSB-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571260470 945416307 /nfs/dbraw/zinc/41/63/07/945416307.db2.gz UGQHKCVDUMGIHX-HTAVTVPLSA-N -1 1 385.432 0.035 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571260470 945416315 /nfs/dbraw/zinc/41/63/15/945416315.db2.gz UGQHKCVDUMGIHX-HTAVTVPLSA-N -1 1 385.432 0.035 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260675 945420985 /nfs/dbraw/zinc/42/09/85/945420985.db2.gz YZDHGPDLEGMRKI-NWDGAFQWSA-N -1 1 385.432 0.037 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC001571260675 945420993 /nfs/dbraw/zinc/42/09/93/945420993.db2.gz YZDHGPDLEGMRKI-NWDGAFQWSA-N -1 1 385.432 0.037 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)Cc2cncs2)CC1 ZINC001571262561 945440053 /nfs/dbraw/zinc/44/00/53/945440053.db2.gz UQKDAMALVOSCMZ-UHFFFAOYSA-N -1 1 385.457 0.783 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)Cc2cncs2)CC1 ZINC001571262561 945440058 /nfs/dbraw/zinc/44/00/58/945440058.db2.gz UQKDAMALVOSCMZ-UHFFFAOYSA-N -1 1 385.457 0.783 20 0 GCADMM Cn1cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)ccc1=O ZINC001571262739 945442395 /nfs/dbraw/zinc/44/23/95/945442395.db2.gz WTICAIQYNGBWRI-UHFFFAOYSA-N -1 1 385.453 0.585 20 0 GCADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cccn2)c1-c1nn[n-]n1 ZINC001571262916 945445142 /nfs/dbraw/zinc/44/51/42/945445142.db2.gz BZVFEIAMTSBELK-DCQANWLSSA-N -1 1 385.457 0.640 20 0 GCADMM Cc1nc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571262939 945446341 /nfs/dbraw/zinc/44/63/41/945446341.db2.gz CSPFPVNQFIIIFT-LLVKDONJSA-N -1 1 385.457 0.726 20 0 GCADMM Cc1nc(CC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(C)s1 ZINC001571263384 945457533 /nfs/dbraw/zinc/45/75/33/945457533.db2.gz OWIAIEXBTUAZQF-NSHDSACASA-N -1 1 385.457 0.986 20 0 GCADMM Cc1nc(CC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(C)s1 ZINC001571263384 945457538 /nfs/dbraw/zinc/45/75/38/945457538.db2.gz OWIAIEXBTUAZQF-NSHDSACASA-N -1 1 385.457 0.986 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001571264986 945497383 /nfs/dbraw/zinc/49/73/83/945497383.db2.gz BTBOSFUJLXFQFR-ONGXEEELSA-N -1 1 385.819 0.842 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571265504 945511746 /nfs/dbraw/zinc/51/17/46/945511746.db2.gz LBYFAHDCPZWJKG-BXKDBHETSA-N -1 1 385.819 0.700 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1Cl ZINC001571265654 945515819 /nfs/dbraw/zinc/51/58/19/945515819.db2.gz OALBGAGALWWJRX-SNVBAGLBSA-N -1 1 385.819 0.961 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1Cl ZINC001571265654 945515833 /nfs/dbraw/zinc/51/58/33/945515833.db2.gz OALBGAGALWWJRX-SNVBAGLBSA-N -1 1 385.819 0.961 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(Cl)cn1 ZINC001571266087 945530540 /nfs/dbraw/zinc/53/05/40/945530540.db2.gz VVZAGQJQXWGVNV-JTQLQIEISA-N -1 1 385.819 0.961 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)cn1 ZINC001571266087 945530545 /nfs/dbraw/zinc/53/05/45/945530545.db2.gz VVZAGQJQXWGVNV-JTQLQIEISA-N -1 1 385.819 0.961 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571267589 945573673 /nfs/dbraw/zinc/57/36/73/945573673.db2.gz ZHNUTXFMKIGAKU-NOZJJQNGSA-N -1 1 386.366 0.929 20 0 GCADMM C[C@H](NC(=O)c1n[nH]cc1F)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267736 945576537 /nfs/dbraw/zinc/57/65/37/945576537.db2.gz CYHGHOLXELDSBK-VHSXEESVSA-N -1 1 386.395 0.554 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(=O)C3=COCCO3)C2)n1 ZINC001571267697 945576882 /nfs/dbraw/zinc/57/68/82/945576882.db2.gz BWPWCMNNUCNBFS-KRWDZBQOSA-N -1 1 386.416 0.192 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(=O)C3=COCCO3)C2)n1 ZINC001571267697 945576892 /nfs/dbraw/zinc/57/68/92/945576892.db2.gz BWPWCMNNUCNBFS-KRWDZBQOSA-N -1 1 386.416 0.192 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001571267914 945580777 /nfs/dbraw/zinc/58/07/77/945580777.db2.gz IVHQKYVUMQZASE-RYUDHWBXSA-N -1 1 386.416 0.037 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001571267914 945580786 /nfs/dbraw/zinc/58/07/86/945580786.db2.gz IVHQKYVUMQZASE-RYUDHWBXSA-N -1 1 386.416 0.037 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001571267858 945582273 /nfs/dbraw/zinc/58/22/73/945582273.db2.gz GUCYVYMRTNADFC-FZMZJTMJSA-N -1 1 386.416 0.031 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001571267858 945582279 /nfs/dbraw/zinc/58/22/79/945582279.db2.gz GUCYVYMRTNADFC-FZMZJTMJSA-N -1 1 386.416 0.031 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@@H]2NC(=O)C2=COCCO2)n1 ZINC001571269288 945617173 /nfs/dbraw/zinc/61/71/73/945617173.db2.gz USBKRURNPXJMBO-NEPJUHHUSA-N -1 1 386.416 0.550 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@@H]2NC(=O)C2=COCCO2)n1 ZINC001571269288 945617178 /nfs/dbraw/zinc/61/71/78/945617178.db2.gz USBKRURNPXJMBO-NEPJUHHUSA-N -1 1 386.416 0.550 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(C)c2-c2nn[n-]n2)n1 ZINC001571270019 945629112 /nfs/dbraw/zinc/62/91/12/945629112.db2.gz KSFCYTAKDJCMCL-UWVGGRQHSA-N -1 1 386.445 0.346 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@@H](NC(=O)c3cnns3)C2)n1 ZINC001571270289 945632600 /nfs/dbraw/zinc/63/26/00/945632600.db2.gz PICHKHIZKZOLJH-NXEZZACHSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@@H](NC(=O)c3cnns3)C2)n1 ZINC001571270289 945632607 /nfs/dbraw/zinc/63/26/07/945632607.db2.gz PICHKHIZKZOLJH-NXEZZACHSA-N -1 1 386.445 0.970 20 0 GCADMM CCc1ccsc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001571270265 945633904 /nfs/dbraw/zinc/63/39/04/945633904.db2.gz OQTZIEYNEHPUIG-NEPJUHHUSA-N -1 1 386.441 0.260 20 0 GCADMM CCc1ccsc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001571270265 945633905 /nfs/dbraw/zinc/63/39/05/945633905.db2.gz OQTZIEYNEHPUIG-NEPJUHHUSA-N -1 1 386.441 0.260 20 0 GCADMM Cc1nsc(N[C@@H]2CN(C(=O)c3nccnc3N)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571270319 945634491 /nfs/dbraw/zinc/63/44/91/945634491.db2.gz QDKMHMJIVHGVBC-IONNQARKSA-N -1 1 386.445 0.576 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571270443 945637213 /nfs/dbraw/zinc/63/72/13/945637213.db2.gz TYYNEZBTVRRGLA-RYUDHWBXSA-N -1 1 386.441 0.396 20 0 GCADMM CCc1nnsc1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270479 945637327 /nfs/dbraw/zinc/63/73/27/945637327.db2.gz UCQZVXNEMHVUFR-SECBINFHSA-N -1 1 386.445 0.422 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C3(C)CCC3)[C@H](O)C2)n1 ZINC001571272215 945658158 /nfs/dbraw/zinc/65/81/58/945658158.db2.gz BEJUKEVTRGAMPO-WCQYABFASA-N -1 1 386.460 0.465 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C3(C)CCC3)[C@H](O)C2)n1 ZINC001571272215 945658166 /nfs/dbraw/zinc/65/81/66/945658166.db2.gz BEJUKEVTRGAMPO-WCQYABFASA-N -1 1 386.460 0.465 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001571272265 945658986 /nfs/dbraw/zinc/65/89/86/945658986.db2.gz CAXMXNVYISNKLV-BBRMVZONSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001571272265 945658993 /nfs/dbraw/zinc/65/89/93/945658993.db2.gz CAXMXNVYISNKLV-BBRMVZONSA-N -1 1 386.460 0.899 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC3(CC2)CN(C(C)=O)C[C@H](C)O3)n1 ZINC001571272248 945659034 /nfs/dbraw/zinc/65/90/34/945659034.db2.gz BRYRGUCEEKWJGI-LBPRGKRZSA-N -1 1 386.460 0.825 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC3(CC2)CN(C(C)=O)C[C@H](C)O3)n1 ZINC001571272248 945659039 /nfs/dbraw/zinc/65/90/39/945659039.db2.gz BRYRGUCEEKWJGI-LBPRGKRZSA-N -1 1 386.460 0.825 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC001571272400 945662659 /nfs/dbraw/zinc/66/26/59/945662659.db2.gz CWOKDZADPUCFCS-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM O=C(CC1CCCCCC1)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571272440 945663579 /nfs/dbraw/zinc/66/35/79/945663579.db2.gz DUFIEWREPGFXSP-KGLIPLIRSA-N -1 1 386.460 0.683 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCOC[C@@H]3C)C2)n1 ZINC001571272464 945664324 /nfs/dbraw/zinc/66/43/24/945664324.db2.gz FIKDJSDEMLTWKD-PYJNHQTQSA-N -1 1 386.460 0.944 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCOC[C@@H]3C)C2)n1 ZINC001571272464 945664329 /nfs/dbraw/zinc/66/43/29/945664329.db2.gz FIKDJSDEMLTWKD-PYJNHQTQSA-N -1 1 386.460 0.944 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)[C@@]1(C)CCCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272669 945666990 /nfs/dbraw/zinc/66/69/90/945666990.db2.gz HNQBRXBYKYFAGZ-ACJLOTCBSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)[C@@]1(C)CCCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272669 945666991 /nfs/dbraw/zinc/66/69/91/945666991.db2.gz HNQBRXBYKYFAGZ-ACJLOTCBSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@@H](C)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571272801 945671449 /nfs/dbraw/zinc/67/14/49/945671449.db2.gz IPRHJPUTAIGIQD-GXTWGEPZSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272801 945671452 /nfs/dbraw/zinc/67/14/52/945671452.db2.gz IPRHJPUTAIGIQD-GXTWGEPZSA-N -1 1 386.460 0.757 20 0 GCADMM O=C(CC[C@@H]1CCCO1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571272879 945673483 /nfs/dbraw/zinc/67/34/83/945673483.db2.gz JZCOYPVTQPNCDZ-KBPBESRZSA-N -1 1 386.460 0.831 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)C2CCC(O)CC2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571272876 945673501 /nfs/dbraw/zinc/67/35/01/945673501.db2.gz JXMBZWFFUFEFFJ-CLRIEMFWSA-N -1 1 386.460 0.681 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)C2CCC(O)CC2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571272876 945673507 /nfs/dbraw/zinc/67/35/07/945673507.db2.gz JXMBZWFFUFEFFJ-CLRIEMFWSA-N -1 1 386.460 0.681 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)C[C@H]3CCCOC3)CC2)n1 ZINC001571272960 945675076 /nfs/dbraw/zinc/67/50/76/945675076.db2.gz LSQSNHXWWZTOMM-CQSZACIVSA-N -1 1 386.460 0.821 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)C[C@H]3CCCOC3)CC2)n1 ZINC001571272960 945675082 /nfs/dbraw/zinc/67/50/82/945675082.db2.gz LSQSNHXWWZTOMM-CQSZACIVSA-N -1 1 386.460 0.821 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)C[C@@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272923 945675413 /nfs/dbraw/zinc/67/54/13/945675413.db2.gz KYTGFMHXSBCNHG-STQMWFEESA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)C[C@@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272923 945675421 /nfs/dbraw/zinc/67/54/21/945675421.db2.gz KYTGFMHXSBCNHG-STQMWFEESA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](NC(C)=O)CC3(CCOCC3)C2)n1 ZINC001571272998 945678220 /nfs/dbraw/zinc/67/82/20/945678220.db2.gz MNAGVNGHBAEPNL-CYBMUJFWSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](NC(C)=O)CC3(CCOCC3)C2)n1 ZINC001571272998 945678227 /nfs/dbraw/zinc/67/82/27/945678227.db2.gz MNAGVNGHBAEPNL-CYBMUJFWSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@H]3CCCO3)[C@H]2CC)n1 ZINC001571273131 945679846 /nfs/dbraw/zinc/67/98/46/945679846.db2.gz PWUWUYMTGIIYGO-IACUBPJLSA-N -1 1 386.460 0.872 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@H]3CCCO3)[C@H]2CC)n1 ZINC001571273131 945679857 /nfs/dbraw/zinc/67/98/57/945679857.db2.gz PWUWUYMTGIIYGO-IACUBPJLSA-N -1 1 386.460 0.872 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571273146 945679928 /nfs/dbraw/zinc/67/99/28/945679928.db2.gz QLEACKWWACEUDW-CQSZACIVSA-N -1 1 386.460 0.546 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)C[C@@H]3CCOC3)C(C)(C)C2)n1 ZINC001571273187 945681267 /nfs/dbraw/zinc/68/12/67/945681267.db2.gz SECYXSYBSFRKRV-JSGCOSHPSA-N -1 1 386.460 0.723 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)C[C@@H]3CCOC3)C(C)(C)C2)n1 ZINC001571273187 945681272 /nfs/dbraw/zinc/68/12/72/945681272.db2.gz SECYXSYBSFRKRV-JSGCOSHPSA-N -1 1 386.460 0.723 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C[C@@H]3CCCOC3)C2)n1 ZINC001571273205 945682042 /nfs/dbraw/zinc/68/20/42/945682042.db2.gz SMFPYCJMQRRDHD-QWHCGFSZSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C[C@@H]3CCCOC3)C2)n1 ZINC001571273205 945682052 /nfs/dbraw/zinc/68/20/52/945682052.db2.gz SMFPYCJMQRRDHD-QWHCGFSZSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCO[C@@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571273227 945682101 /nfs/dbraw/zinc/68/21/01/945682101.db2.gz SWVSEVMODLDBHZ-FDYHWXHSSA-N -1 1 386.460 0.951 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCO[C@@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571273227 945682109 /nfs/dbraw/zinc/68/21/09/945682109.db2.gz SWVSEVMODLDBHZ-FDYHWXHSSA-N -1 1 386.460 0.951 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273252 945684163 /nfs/dbraw/zinc/68/41/63/945684163.db2.gz UATRVHWDIXCKQR-OLZOCXBDSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273252 945684167 /nfs/dbraw/zinc/68/41/67/945684167.db2.gz UATRVHWDIXCKQR-OLZOCXBDSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@@]3(C)CCOC3)C2)n1 ZINC001571273387 945685422 /nfs/dbraw/zinc/68/54/22/945685422.db2.gz WPEXRIPFQPXMPY-BVRBVLIYSA-N -1 1 386.460 0.587 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)[C@@]3(C)CCOC3)C2)n1 ZINC001571273387 945685428 /nfs/dbraw/zinc/68/54/28/945685428.db2.gz WPEXRIPFQPXMPY-BVRBVLIYSA-N -1 1 386.460 0.587 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)CC2(O)CCC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571273420 945687872 /nfs/dbraw/zinc/68/78/72/945687872.db2.gz XJIJXOSVJNHZHW-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM COC1CC(C(=O)N[C@@H](C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571273411 945688221 /nfs/dbraw/zinc/68/82/21/945688221.db2.gz XBZORKZOCRAYMC-XGNXJENSSA-N -1 1 386.460 0.803 20 0 GCADMM COC1CC(C(=O)N[C@@H](C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571273411 945688226 /nfs/dbraw/zinc/68/82/26/945688226.db2.gz XBZORKZOCRAYMC-XGNXJENSSA-N -1 1 386.460 0.803 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@@H]3CC3(C)C)[C@H](OC)C2)n1 ZINC001571273526 945691158 /nfs/dbraw/zinc/69/11/58/945691158.db2.gz ZBWAOPLGLHHDCZ-CYZMBNFOSA-N -1 1 386.460 0.585 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@@H]3CC3(C)C)[C@H](OC)C2)n1 ZINC001571273526 945691165 /nfs/dbraw/zinc/69/11/65/945691165.db2.gz ZBWAOPLGLHHDCZ-CYZMBNFOSA-N -1 1 386.460 0.585 20 0 GCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1CCCN(CCO)C1=O ZINC001571274126 945692791 /nfs/dbraw/zinc/69/27/91/945692791.db2.gz BXDFNJSWDVLBDK-ZCFIWIBFSA-N -1 1 386.825 0.081 20 0 GCADMM O=C(c1c(F)cncc1F)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571274406 945697002 /nfs/dbraw/zinc/69/70/02/945697002.db2.gz GMSYFRLTUYTVFA-VIFPVBQESA-N -1 1 387.354 0.904 20 0 GCADMM O=C(c1c(F)cncc1F)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571274406 945697005 /nfs/dbraw/zinc/69/70/05/945697005.db2.gz GMSYFRLTUYTVFA-VIFPVBQESA-N -1 1 387.354 0.904 20 0 GCADMM CC[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571275760 945713219 /nfs/dbraw/zinc/71/32/19/945713219.db2.gz BXXWQKPSNXZLFP-FQUUOJAGSA-N -1 1 386.460 0.591 20 0 GCADMM C[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571275695 945713670 /nfs/dbraw/zinc/71/36/70/945713670.db2.gz ATPVUCVPWZSPDT-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571275695 945713673 /nfs/dbraw/zinc/71/36/73/945713673.db2.gz ATPVUCVPWZSPDT-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1COCC[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571275811 945716351 /nfs/dbraw/zinc/71/63/51/945716351.db2.gz CYBBAMHGLKYRDX-JSGCOSHPSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(O)CC(=O)N1CCC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571275796 945716447 /nfs/dbraw/zinc/71/64/47/945716447.db2.gz CNVTWQOLNSOWAC-GOSISDBHSA-N -1 1 386.460 0.637 20 0 GCADMM CC(C)(O)CC(=O)N1CCC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571275796 945716449 /nfs/dbraw/zinc/71/64/49/945716449.db2.gz CNVTWQOLNSOWAC-GOSISDBHSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)[C@H]1CCCCO1 ZINC001571275884 945718698 /nfs/dbraw/zinc/71/86/98/945718698.db2.gz DXEIBAYDZGOKDG-ZIAGYGMSSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)[C@H]1CCCCO1 ZINC001571275884 945718703 /nfs/dbraw/zinc/71/87/03/945718703.db2.gz DXEIBAYDZGOKDG-ZIAGYGMSSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCO1 ZINC001571275916 945719131 /nfs/dbraw/zinc/71/91/31/945719131.db2.gz FPSRVRIIBIHQDG-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@@H]1C[C@@H](C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCO1 ZINC001571275916 945719134 /nfs/dbraw/zinc/71/91/34/945719134.db2.gz FPSRVRIIBIHQDG-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C1CCCC1 ZINC001571275946 945720441 /nfs/dbraw/zinc/72/04/41/945720441.db2.gz GGNKCERZLPVHGJ-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C1CCCC1 ZINC001571275946 945720452 /nfs/dbraw/zinc/72/04/52/945720452.db2.gz GGNKCERZLPVHGJ-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM CCOC1CC(CC(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571276627 945734343 /nfs/dbraw/zinc/73/43/43/945734343.db2.gz JVCLVXIZKOVUNY-ROKHWSDSSA-N -1 1 386.460 0.687 20 0 GCADMM COCCc1ccc(OC[C@@H](O)CNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001571276992 945738781 /nfs/dbraw/zinc/73/87/81/945738781.db2.gz MJDWEXYKTCMISP-AWEZNQCLSA-N -1 1 387.396 0.818 20 0 GCADMM COCCc1ccc(OC[C@@H](O)CNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001571276992 945738789 /nfs/dbraw/zinc/73/87/89/945738789.db2.gz MJDWEXYKTCMISP-AWEZNQCLSA-N -1 1 387.396 0.818 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCCO2)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571277462 945742545 /nfs/dbraw/zinc/74/25/45/945742545.db2.gz KOSGESRSLZJGMP-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCCO2)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571277462 945742557 /nfs/dbraw/zinc/74/25/57/945742557.db2.gz KOSGESRSLZJGMP-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC1CCC(OCC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571277642 945744347 /nfs/dbraw/zinc/74/43/47/945744347.db2.gz MRPKHFSIISYBHT-ROKHWSDSSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC001571277616 945745400 /nfs/dbraw/zinc/74/54/00/945745400.db2.gz MMKLYPWEQTYHBO-FZKQIMNGSA-N -1 1 386.460 0.688 20 0 GCADMM O=C(N[C@H]1CCOC1=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001571278120 945748653 /nfs/dbraw/zinc/74/86/53/945748653.db2.gz WGZDSKAVQAVZEB-XIVSLSHWSA-N -1 1 387.400 0.566 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)[C@H]2CCOC2)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571278516 945755411 /nfs/dbraw/zinc/75/54/11/945755411.db2.gz OSYWAYIWEGHYOX-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)[C@H]2CCOC2)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571278516 945755419 /nfs/dbraw/zinc/75/54/19/945755419.db2.gz OSYWAYIWEGHYOX-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001571278605 945755969 /nfs/dbraw/zinc/75/59/69/945755969.db2.gz PIHABSKYKACHAK-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278699 945757512 /nfs/dbraw/zinc/75/75/12/945757512.db2.gz RAHVUGKJMHGZOT-HIFRSBDPSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278699 945757525 /nfs/dbraw/zinc/75/75/25/945757525.db2.gz RAHVUGKJMHGZOT-HIFRSBDPSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278700 945758922 /nfs/dbraw/zinc/75/89/22/945758922.db2.gz RAHVUGKJMHGZOT-UKRRQHHQSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278700 945758928 /nfs/dbraw/zinc/75/89/28/945758928.db2.gz RAHVUGKJMHGZOT-UKRRQHHQSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)c1ncccn1 ZINC001571278805 945760557 /nfs/dbraw/zinc/76/05/57/945760557.db2.gz CMQFSUMHVIDHKA-NXEZZACHSA-N -1 1 387.429 0.055 20 0 GCADMM C[C@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571278788 945761159 /nfs/dbraw/zinc/76/11/59/945761159.db2.gz CCPZGLRPSKMYNE-IUCAKERBSA-N -1 1 387.429 0.639 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1csc(=O)[nH]1 ZINC001571278892 945763025 /nfs/dbraw/zinc/76/30/25/945763025.db2.gz FFVVOQJWWLHCEG-VIFPVBQESA-N -1 1 387.429 0.608 20 0 GCADMM CC(C)(O)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001571278944 945764469 /nfs/dbraw/zinc/76/44/69/945764469.db2.gz SFDDPENREYYZMQ-GXTWGEPZSA-N -1 1 386.460 0.635 20 0 GCADMM CC(C)(O)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001571278944 945764479 /nfs/dbraw/zinc/76/44/79/945764479.db2.gz SFDDPENREYYZMQ-GXTWGEPZSA-N -1 1 386.460 0.635 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571278949 945764867 /nfs/dbraw/zinc/76/48/67/945764867.db2.gz SFGFZCNRDRRAST-WWGRRREGSA-N -1 1 386.460 0.899 20 0 GCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571278949 945764879 /nfs/dbraw/zinc/76/48/79/945764879.db2.gz SFGFZCNRDRRAST-WWGRRREGSA-N -1 1 386.460 0.899 20 0 GCADMM CCC(=O)N1CCC(CO[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571278937 945765445 /nfs/dbraw/zinc/76/54/45/945765445.db2.gz RQGXKAHIWWSWGN-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CCC(=O)N1CCC(CO[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571278937 945765451 /nfs/dbraw/zinc/76/54/51/945765451.db2.gz RQGXKAHIWWSWGN-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CCOC1CC(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571278925 945765515 /nfs/dbraw/zinc/76/55/15/945765515.db2.gz RLRFKZDHADTLSH-HSBZDZAISA-N -1 1 386.460 0.757 20 0 GCADMM CCOC1CC(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571278925 945765519 /nfs/dbraw/zinc/76/55/19/945765519.db2.gz RLRFKZDHADTLSH-HSBZDZAISA-N -1 1 386.460 0.757 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)C1CCC(O)CC1 ZINC001571278909 945765535 /nfs/dbraw/zinc/76/55/35/945765535.db2.gz RBZIRWXGVVNOGU-YIZWMMSDSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)C1CCC(O)CC1 ZINC001571278909 945765539 /nfs/dbraw/zinc/76/55/39/945765539.db2.gz RBZIRWXGVVNOGU-YIZWMMSDSA-N -1 1 386.460 0.539 20 0 GCADMM CCOC1CC(C(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001571278984 945767066 /nfs/dbraw/zinc/76/70/66/945767066.db2.gz UAJUFWUINVIIDV-MOKVOYLWSA-N -1 1 386.460 0.817 20 0 GCADMM CCOC1CC(C(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001571278984 945767078 /nfs/dbraw/zinc/76/70/78/945767078.db2.gz UAJUFWUINVIIDV-MOKVOYLWSA-N -1 1 386.460 0.817 20 0 GCADMM COc1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)sn1 ZINC001571279178 945771007 /nfs/dbraw/zinc/77/10/07/945771007.db2.gz KORJLOJNMKVMBP-HNNXBMFYSA-N -1 1 387.429 0.521 20 0 GCADMM COc1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)sn1 ZINC001571279178 945771017 /nfs/dbraw/zinc/77/10/17/945771017.db2.gz KORJLOJNMKVMBP-HNNXBMFYSA-N -1 1 387.429 0.521 20 0 GCADMM Cc1nsc(N2CCO[C@@H](CNC(=O)c3cccnn3)C2)c1-c1nn[n-]n1 ZINC001571279146 945771463 /nfs/dbraw/zinc/77/14/63/945771463.db2.gz JXHXKVLZJCFCJP-JTQLQIEISA-N -1 1 387.429 0.057 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)sn1 ZINC001571279259 945773401 /nfs/dbraw/zinc/77/34/01/945773401.db2.gz MJIKLHPPYBOHRZ-SECBINFHSA-N -1 1 387.429 0.839 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)sn1 ZINC001571279259 945773403 /nfs/dbraw/zinc/77/34/03/945773403.db2.gz MJIKLHPPYBOHRZ-SECBINFHSA-N -1 1 387.429 0.839 20 0 GCADMM Cc1nsc(N[C@@H]2C[C@@H](C)N(C(=O)c3cn[nH]c(=O)c3)C2)c1-c1nn[n-]n1 ZINC001571279300 945775256 /nfs/dbraw/zinc/77/52/56/945775256.db2.gz NNLJWPPCBNQPRS-GMSGAONNSA-N -1 1 387.429 0.842 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001571279688 945783692 /nfs/dbraw/zinc/78/36/92/945783692.db2.gz XWGYQWJIEWGOCD-OCCSQVGLSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001571279688 945783702 /nfs/dbraw/zinc/78/37/02/945783702.db2.gz XWGYQWJIEWGOCD-OCCSQVGLSA-N -1 1 386.460 0.899 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCOC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571279658 945783939 /nfs/dbraw/zinc/78/39/39/945783939.db2.gz XSEHJCLXDOGZMV-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571279648 945784080 /nfs/dbraw/zinc/78/40/80/945784080.db2.gz XKACXMUFOLMHLB-KGLIPLIRSA-N -1 1 386.460 0.899 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCOC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571279656 945784340 /nfs/dbraw/zinc/78/43/40/945784340.db2.gz XSEHJCLXDOGZMV-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3cccnn3)CCO2)c1-c1nn[n-]n1 ZINC001571279731 945786894 /nfs/dbraw/zinc/78/68/94/945786894.db2.gz UIZSBWZATZNHEU-SNVBAGLBSA-N -1 1 387.429 0.375 20 0 GCADMM Cc1nscc1C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001571279794 945788386 /nfs/dbraw/zinc/78/83/86/945788386.db2.gz VZSSLTSPYNNGHU-JTQLQIEISA-N -1 1 387.429 0.057 20 0 GCADMM Cc1nscc1C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001571279794 945788390 /nfs/dbraw/zinc/78/83/90/945788390.db2.gz VZSSLTSPYNNGHU-JTQLQIEISA-N -1 1 387.429 0.057 20 0 GCADMM CS[C@@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001571279827 945788906 /nfs/dbraw/zinc/78/89/06/945788906.db2.gz XESPGQBAPNWFPJ-GFCCVEGCSA-N -1 1 387.425 0.350 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571279971 945792372 /nfs/dbraw/zinc/79/23/72/945792372.db2.gz YNNPZAFBJWMKMJ-YIYPIFLZSA-N -1 1 386.460 0.589 20 0 GCADMM CC1(C)CN(C(=O)C2CCC(O)CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571279972 945793208 /nfs/dbraw/zinc/79/32/08/945793208.db2.gz YOCREWQQEDXSPQ-ORHYLEIMSA-N -1 1 386.460 0.857 20 0 GCADMM CC1(C)CN(C(=O)C2CCC(O)CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571279972 945793215 /nfs/dbraw/zinc/79/32/15/945793215.db2.gz YOCREWQQEDXSPQ-ORHYLEIMSA-N -1 1 386.460 0.857 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571279970 945793425 /nfs/dbraw/zinc/79/34/25/945793425.db2.gz YNNPZAFBJWMKMJ-MQYQWHSLSA-N -1 1 386.460 0.589 20 0 GCADMM COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@H+](C)CC[C@@H](C)O ZINC000821688258 945812022 /nfs/dbraw/zinc/81/20/22/945812022.db2.gz DSWAARVOMODJTM-GFCCVEGCSA-N -1 1 393.492 0.963 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573449120 945816335 /nfs/dbraw/zinc/81/63/35/945816335.db2.gz UDIHLMKRKHCRBC-IINYFYTJSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573449120 945816348 /nfs/dbraw/zinc/81/63/48/945816348.db2.gz UDIHLMKRKHCRBC-IINYFYTJSA-N -1 1 387.448 0.283 20 0 GCADMM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4[C@@H]5COC[C@@H]54)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571281848 945818153 /nfs/dbraw/zinc/81/81/53/945818153.db2.gz PAOTZEZVWNGCPZ-DXSSJJFTSA-N -1 1 387.469 0.322 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1cccnc1 ZINC001573449357 945818751 /nfs/dbraw/zinc/81/87/51/945818751.db2.gz ZNBNENIQLOUWAE-CYBMUJFWSA-N -1 1 381.400 0.705 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1cccnc1 ZINC001573449357 945818766 /nfs/dbraw/zinc/81/87/66/945818766.db2.gz ZNBNENIQLOUWAE-CYBMUJFWSA-N -1 1 381.400 0.705 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573452065 945841208 /nfs/dbraw/zinc/84/12/08/945841208.db2.gz AGGWNBDJECDIRN-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571282369 945842819 /nfs/dbraw/zinc/84/28/19/945842819.db2.gz WJQXVOAOKIODGY-PRHODGIISA-N -1 1 387.473 0.928 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573452531 945853750 /nfs/dbraw/zinc/85/37/50/945853750.db2.gz GRLFBZUZMDECRY-GTNSWQLSSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573452531 945853760 /nfs/dbraw/zinc/85/37/60/945853760.db2.gz GRLFBZUZMDECRY-GTNSWQLSSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573453182 945855545 /nfs/dbraw/zinc/85/55/45/945855545.db2.gz JDWZNLSWGQYIKP-BMIGLBTASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573453182 945855555 /nfs/dbraw/zinc/85/55/55/945855555.db2.gz JDWZNLSWGQYIKP-BMIGLBTASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573452923 945857320 /nfs/dbraw/zinc/85/73/20/945857320.db2.gz IZHNCOYNJVHIDP-MEBBXXQBSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573452923 945857335 /nfs/dbraw/zinc/85/73/35/945857335.db2.gz IZHNCOYNJVHIDP-MEBBXXQBSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453284 945859392 /nfs/dbraw/zinc/85/93/92/945859392.db2.gz KULYHOBZRPGZCE-DIFFPNOSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453284 945859405 /nfs/dbraw/zinc/85/94/05/945859405.db2.gz KULYHOBZRPGZCE-DIFFPNOSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573453596 945862048 /nfs/dbraw/zinc/86/20/48/945862048.db2.gz MPCIWVLPBDWTCO-GTNSWQLSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453524 945862436 /nfs/dbraw/zinc/86/24/36/945862436.db2.gz LMVQOHATNOZHQE-APPDUMDISA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453524 945862447 /nfs/dbraw/zinc/86/24/47/945862447.db2.gz LMVQOHATNOZHQE-APPDUMDISA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573453521 945863470 /nfs/dbraw/zinc/86/34/70/945863470.db2.gz LLTSTFQLVJCXBB-DIFFPNOSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573453521 945863481 /nfs/dbraw/zinc/86/34/81/945863481.db2.gz LLTSTFQLVJCXBB-DIFFPNOSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453772 945866835 /nfs/dbraw/zinc/86/68/35/945866835.db2.gz PYGUSRVTOVJFJF-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453772 945866847 /nfs/dbraw/zinc/86/68/47/945866847.db2.gz PYGUSRVTOVJFJF-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573453943 945869575 /nfs/dbraw/zinc/86/95/75/945869575.db2.gz RFHBGORXCSSRMF-OAHLLOKOSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573453943 945869590 /nfs/dbraw/zinc/86/95/90/945869590.db2.gz RFHBGORXCSSRMF-OAHLLOKOSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573454026 945871005 /nfs/dbraw/zinc/87/10/05/945871005.db2.gz UUWMTLFSWKSGES-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573454026 945871013 /nfs/dbraw/zinc/87/10/13/945871013.db2.gz UUWMTLFSWKSGES-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573454332 945876124 /nfs/dbraw/zinc/87/61/24/945876124.db2.gz XTKLYGYRUQWJSF-YVEFUNNKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573454332 945876136 /nfs/dbraw/zinc/87/61/36/945876136.db2.gz XTKLYGYRUQWJSF-YVEFUNNKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573455859 945887311 /nfs/dbraw/zinc/88/73/11/945887311.db2.gz HLTMDCXJVQNCPG-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573455859 945887320 /nfs/dbraw/zinc/88/73/20/945887320.db2.gz HLTMDCXJVQNCPG-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573456313 945889596 /nfs/dbraw/zinc/88/95/96/945889596.db2.gz ISOWVEQYIGSVMO-JKDFXYPNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573456313 945889610 /nfs/dbraw/zinc/88/96/10/945889610.db2.gz ISOWVEQYIGSVMO-JKDFXYPNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573456363 945889847 /nfs/dbraw/zinc/88/98/47/945889847.db2.gz KAKPTYGYLXYRJH-QGZVFWFLSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573456363 945889863 /nfs/dbraw/zinc/88/98/63/945889863.db2.gz KAKPTYGYLXYRJH-QGZVFWFLSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573456416 945890975 /nfs/dbraw/zinc/89/09/75/945890975.db2.gz KKPOANCYVXSMOS-JKDFXYPNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573456416 945890988 /nfs/dbraw/zinc/89/09/88/945890988.db2.gz KKPOANCYVXSMOS-JKDFXYPNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573456459 945895118 /nfs/dbraw/zinc/89/51/18/945895118.db2.gz KXMCFFMBEVGMBL-PWSUYJOCSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573456459 945895132 /nfs/dbraw/zinc/89/51/32/945895132.db2.gz KXMCFFMBEVGMBL-PWSUYJOCSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573456551 945895202 /nfs/dbraw/zinc/89/52/02/945895202.db2.gz LKTFKXBHRGZLBF-BWACUDIHSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573456551 945895216 /nfs/dbraw/zinc/89/52/16/945895216.db2.gz LKTFKXBHRGZLBF-BWACUDIHSA-N -1 1 387.448 0.267 20 0 GCADMM COc1ccccc1CC(C)(C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821891093 945899290 /nfs/dbraw/zinc/89/92/90/945899290.db2.gz UYRAVQMKDRBHGZ-UHFFFAOYSA-N -1 1 385.428 0.706 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573456992 945899406 /nfs/dbraw/zinc/89/94/06/945899406.db2.gz RHOWBOULHLXYMK-PIGZYNQJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573456992 945899411 /nfs/dbraw/zinc/89/94/11/945899411.db2.gz RHOWBOULHLXYMK-PIGZYNQJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001573456923 945900286 /nfs/dbraw/zinc/90/02/86/945900286.db2.gz QEWYXNROUFQJJZ-LBPRGKRZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001573456923 945900292 /nfs/dbraw/zinc/90/02/92/945900292.db2.gz QEWYXNROUFQJJZ-LBPRGKRZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573457413 945905465 /nfs/dbraw/zinc/90/54/65/945905465.db2.gz WGEYMEZAXHWSSN-QFYYESIMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573457413 945905468 /nfs/dbraw/zinc/90/54/68/945905468.db2.gz WGEYMEZAXHWSSN-QFYYESIMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573458956 945909520 /nfs/dbraw/zinc/90/95/20/945909520.db2.gz BHSSQHOTHMJDHU-NSHDSACASA-N -1 1 392.489 0.949 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573459007 945910433 /nfs/dbraw/zinc/91/04/33/945910433.db2.gz CRGWBUBPJFRJSZ-UHFFFAOYSA-N -1 1 393.473 0.354 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573459596 945911961 /nfs/dbraw/zinc/91/19/61/945911961.db2.gz GUFGLDWPDMAHSX-UWVGGRQHSA-N -1 1 375.437 0.185 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573459596 945911971 /nfs/dbraw/zinc/91/19/71/945911971.db2.gz GUFGLDWPDMAHSX-UWVGGRQHSA-N -1 1 375.437 0.185 20 0 GCADMM Cn1cc(Cl)cc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571285334 945913903 /nfs/dbraw/zinc/91/39/03/945913903.db2.gz BHESNECCFPSEBY-JTQLQIEISA-N -1 1 387.835 0.645 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573460676 945916900 /nfs/dbraw/zinc/91/69/00/945916900.db2.gz LRPFQLZUBZMPKM-JTQLQIEISA-N -1 1 378.462 0.559 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CC[S@@](C)=O ZINC000822005135 945918226 /nfs/dbraw/zinc/91/82/26/945918226.db2.gz OXFUWSWKSJLVCQ-UAXLGHPASA-N -1 1 380.474 0.790 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573461519 945921989 /nfs/dbraw/zinc/92/19/89/945921989.db2.gz PEEMRDAQDJVTOZ-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573461519 945921998 /nfs/dbraw/zinc/92/19/98/945921998.db2.gz PEEMRDAQDJVTOZ-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM COC(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)o1 ZINC001571285708 945925450 /nfs/dbraw/zinc/92/54/50/945925450.db2.gz MCGSMEDIHGBRPF-UHFFFAOYSA-N -1 1 388.344 0.058 20 0 GCADMM COC(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)o1 ZINC001571285708 945925454 /nfs/dbraw/zinc/92/54/54/945925454.db2.gz MCGSMEDIHGBRPF-UHFFFAOYSA-N -1 1 388.344 0.058 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)CC(C)C ZINC001573462157 945931856 /nfs/dbraw/zinc/93/18/56/945931856.db2.gz BBACOQNPVYZOFC-LBPRGKRZSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)CC(C)C ZINC001573462157 945931862 /nfs/dbraw/zinc/93/18/62/945931862.db2.gz BBACOQNPVYZOFC-LBPRGKRZSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001573462114 945932593 /nfs/dbraw/zinc/93/25/93/945932593.db2.gz ADYYDCSUJWHQKX-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001573462114 945932602 /nfs/dbraw/zinc/93/26/02/945932602.db2.gz ADYYDCSUJWHQKX-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001573462113 945932727 /nfs/dbraw/zinc/93/27/27/945932727.db2.gz ADYYDCSUJWHQKX-CMPLNLGQSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001573462113 945932731 /nfs/dbraw/zinc/93/27/31/945932731.db2.gz ADYYDCSUJWHQKX-CMPLNLGQSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573462143 945933054 /nfs/dbraw/zinc/93/30/54/945933054.db2.gz AQYMEMFIZYTOJO-UHFFFAOYSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573462143 945933060 /nfs/dbraw/zinc/93/30/60/945933060.db2.gz AQYMEMFIZYTOJO-UHFFFAOYSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573462216 945934725 /nfs/dbraw/zinc/93/47/25/945934725.db2.gz CUIMMVPNMPUDPU-NWDGAFQWSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573462216 945934737 /nfs/dbraw/zinc/93/47/37/945934737.db2.gz CUIMMVPNMPUDPU-NWDGAFQWSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573462237 945935249 /nfs/dbraw/zinc/93/52/49/945935249.db2.gz DHSHWPJJDFBHFT-RYUDHWBXSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573462237 945935263 /nfs/dbraw/zinc/93/52/63/945935263.db2.gz DHSHWPJJDFBHFT-RYUDHWBXSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573462277 945935977 /nfs/dbraw/zinc/93/59/77/945935977.db2.gz FNKQTHCDVLIBHD-CMPLNLGQSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573462277 945935979 /nfs/dbraw/zinc/93/59/79/945935979.db2.gz FNKQTHCDVLIBHD-CMPLNLGQSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573462311 945936024 /nfs/dbraw/zinc/93/60/24/945936024.db2.gz GGKYNSKVRJGNPH-PWSUYJOCSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573462311 945936031 /nfs/dbraw/zinc/93/60/31/945936031.db2.gz GGKYNSKVRJGNPH-PWSUYJOCSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573462356 945940485 /nfs/dbraw/zinc/94/04/85/945940485.db2.gz HIPKPGKHMBXJNB-GFCCVEGCSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573462356 945940491 /nfs/dbraw/zinc/94/04/91/945940491.db2.gz HIPKPGKHMBXJNB-GFCCVEGCSA-N -1 1 387.448 0.047 20 0 GCADMM O=C([C@H]1CCCCO1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286296 945941650 /nfs/dbraw/zinc/94/16/50/945941650.db2.gz DFXWWMSTIHBYLE-GXTWGEPZSA-N -1 1 388.432 0.255 20 0 GCADMM O=C([C@H]1CCCCO1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286296 945941660 /nfs/dbraw/zinc/94/16/60/945941660.db2.gz DFXWWMSTIHBYLE-GXTWGEPZSA-N -1 1 388.432 0.255 20 0 GCADMM CO[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCOC1 ZINC001571286273 945941740 /nfs/dbraw/zinc/94/17/40/945941740.db2.gz CTQORESVVBSYEH-BXUZGUMPSA-N -1 1 388.432 0.111 20 0 GCADMM CO[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCOC1 ZINC001571286273 945941749 /nfs/dbraw/zinc/94/17/49/945941749.db2.gz CTQORESVVBSYEH-BXUZGUMPSA-N -1 1 388.432 0.111 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286298 945942649 /nfs/dbraw/zinc/94/26/49/945942649.db2.gz DFXWWMSTIHBYLE-OCCSQVGLSA-N -1 1 388.432 0.255 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286298 945942659 /nfs/dbraw/zinc/94/26/59/945942659.db2.gz DFXWWMSTIHBYLE-OCCSQVGLSA-N -1 1 388.432 0.255 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573462553 945942761 /nfs/dbraw/zinc/94/27/61/945942761.db2.gz LIKKQKYDZAFYLQ-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573462553 945942769 /nfs/dbraw/zinc/94/27/69/945942769.db2.gz LIKKQKYDZAFYLQ-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573462683 945943676 /nfs/dbraw/zinc/94/36/76/945943676.db2.gz MDQZOJNTASOQOZ-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573462683 945943688 /nfs/dbraw/zinc/94/36/88/945943688.db2.gz MDQZOJNTASOQOZ-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573462687 945943937 /nfs/dbraw/zinc/94/39/37/945943937.db2.gz MDQZOJNTASOQOZ-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573462687 945943941 /nfs/dbraw/zinc/94/39/41/945943941.db2.gz MDQZOJNTASOQOZ-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)ccc1C ZINC001571286347 945944272 /nfs/dbraw/zinc/94/42/72/945944272.db2.gz FHSKEPLCLPKAKY-UHFFFAOYSA-N -1 1 388.409 0.835 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)ccc1C ZINC001571286347 945944283 /nfs/dbraw/zinc/94/42/83/945944283.db2.gz FHSKEPLCLPKAKY-UHFFFAOYSA-N -1 1 388.409 0.835 20 0 GCADMM CCOC1CC(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571286318 945945671 /nfs/dbraw/zinc/94/56/71/945945671.db2.gz DNISQWINKBAORL-WXRRBKDZSA-N -1 1 388.432 0.111 20 0 GCADMM CCOC1CC(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571286318 945945677 /nfs/dbraw/zinc/94/56/77/945945677.db2.gz DNISQWINKBAORL-WXRRBKDZSA-N -1 1 388.432 0.111 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573462920 945946010 /nfs/dbraw/zinc/94/60/10/945946010.db2.gz OTKJZIHSXYEVSW-LLVKDONJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573462920 945946018 /nfs/dbraw/zinc/94/60/18/945946018.db2.gz OTKJZIHSXYEVSW-LLVKDONJSA-N -1 1 375.437 0.124 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)CC3OCCCO3)CC2)n1 ZINC001571286415 945947696 /nfs/dbraw/zinc/94/76/96/945947696.db2.gz HETBLINHAYXFNP-UHFFFAOYSA-N -1 1 388.432 0.157 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)CC3OCCCO3)CC2)n1 ZINC001571286415 945947705 /nfs/dbraw/zinc/94/77/05/945947705.db2.gz HETBLINHAYXFNP-UHFFFAOYSA-N -1 1 388.432 0.157 20 0 GCADMM C[C@@H]1CCc2nc(NC(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)sc2C1 ZINC001571286533 945949511 /nfs/dbraw/zinc/94/95/11/945949511.db2.gz KFXBXXNMELKLQQ-SSDOTTSWSA-N -1 1 388.413 0.349 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CC(NC(=O)CC3OCCCO3)C2)n1 ZINC001571286649 945954614 /nfs/dbraw/zinc/95/46/14/945954614.db2.gz NOKKDTPEYBHEPX-UHFFFAOYSA-N -1 1 388.432 0.425 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CC(NC(=O)CC3OCCCO3)C2)n1 ZINC001571286649 945954620 /nfs/dbraw/zinc/95/46/20/945954620.db2.gz NOKKDTPEYBHEPX-UHFFFAOYSA-N -1 1 388.432 0.425 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573463299 945954850 /nfs/dbraw/zinc/95/48/50/945954850.db2.gz ULFHNVKOYAWYNI-GFCCVEGCSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573463299 945954855 /nfs/dbraw/zinc/95/48/55/945954855.db2.gz ULFHNVKOYAWYNI-GFCCVEGCSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573463528 945956554 /nfs/dbraw/zinc/95/65/54/945956554.db2.gz YGHRLUOWBNCAHV-LBPRGKRZSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573463528 945956556 /nfs/dbraw/zinc/95/65/56/945956556.db2.gz YGHRLUOWBNCAHV-LBPRGKRZSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573463540 945956589 /nfs/dbraw/zinc/95/65/89/945956589.db2.gz YJCTUFJJWSVGRE-LBPRGKRZSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573463540 945956599 /nfs/dbraw/zinc/95/65/99/945956599.db2.gz YJCTUFJJWSVGRE-LBPRGKRZSA-N -1 1 389.464 0.514 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001571286743 945957204 /nfs/dbraw/zinc/95/72/04/945957204.db2.gz QKDVDAKHWBJRHV-OCCSQVGLSA-N -1 1 388.432 0.031 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001571286743 945957214 /nfs/dbraw/zinc/95/72/14/945957214.db2.gz QKDVDAKHWBJRHV-OCCSQVGLSA-N -1 1 388.432 0.031 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)CO[C@@H]2CCOC2)n1 ZINC001571286793 945958794 /nfs/dbraw/zinc/95/87/94/945958794.db2.gz RNUBPFJJGCLZRL-QWHCGFSZSA-N -1 1 388.432 0.174 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)CO[C@@H]2CCOC2)n1 ZINC001571286793 945958801 /nfs/dbraw/zinc/95/88/01/945958801.db2.gz RNUBPFJJGCLZRL-QWHCGFSZSA-N -1 1 388.432 0.174 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)CC2OCCCO2)CC1 ZINC001571286844 945960590 /nfs/dbraw/zinc/96/05/90/945960590.db2.gz SVKQDKZDWWQPSS-UHFFFAOYSA-N -1 1 388.432 0.237 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)CC2OCCCO2)CC1 ZINC001571286844 945960594 /nfs/dbraw/zinc/96/05/94/945960594.db2.gz SVKQDKZDWWQPSS-UHFFFAOYSA-N -1 1 388.432 0.237 20 0 GCADMM CO[C@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001571286832 945960683 /nfs/dbraw/zinc/96/06/83/945960683.db2.gz SPEBZULLHIDAIR-WFASDCNBSA-N -1 1 388.432 0.111 20 0 GCADMM CO[C@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001571286832 945960687 /nfs/dbraw/zinc/96/06/87/945960687.db2.gz SPEBZULLHIDAIR-WFASDCNBSA-N -1 1 388.432 0.111 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573463739 945962021 /nfs/dbraw/zinc/96/20/21/945962021.db2.gz AAHPZKMXSWKOEM-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573463739 945962027 /nfs/dbraw/zinc/96/20/27/945962027.db2.gz AAHPZKMXSWKOEM-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CO[C@H]1COCC[C@H]1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571286949 945963047 /nfs/dbraw/zinc/96/30/47/945963047.db2.gz WNEKKNFRSQSERA-MNXVOIDGSA-N -1 1 388.432 0.157 20 0 GCADMM CO[C@H]1COCC[C@H]1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571286949 945963053 /nfs/dbraw/zinc/96/30/53/945963053.db2.gz WNEKKNFRSQSERA-MNXVOIDGSA-N -1 1 388.432 0.157 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573464823 945968506 /nfs/dbraw/zinc/96/85/06/945968506.db2.gz POPICKABGNOUBV-LDYMZIIASA-N -1 1 392.489 0.487 20 0 GCADMM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822167375 945968806 /nfs/dbraw/zinc/96/88/06/945968806.db2.gz DKHBDHMFTZBWMJ-UHFFFAOYSA-N -1 1 383.416 0.791 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573468152 945991871 /nfs/dbraw/zinc/99/18/71/945991871.db2.gz LFBMNZBDKNGKIS-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573468152 945991881 /nfs/dbraw/zinc/99/18/81/945991881.db2.gz LFBMNZBDKNGKIS-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)c1-c1nn[n-]n1 ZINC001571289477 946007317 /nfs/dbraw/zinc/00/73/17/946007317.db2.gz FPZATJFHSAHQFX-JTQLQIEISA-N -1 1 388.461 0.359 20 0 GCADMM Cc1ccn(C)c1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O ZINC001571289650 946012378 /nfs/dbraw/zinc/01/23/78/946012378.db2.gz JJXKTSUURQWULT-MNOVXSKESA-N -1 1 388.457 0.258 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573469940 946013075 /nfs/dbraw/zinc/01/30/75/946013075.db2.gz AFNZNFRPBSLJBK-SNVBAGLBSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573469926 946013425 /nfs/dbraw/zinc/01/34/25/946013425.db2.gz AENGOCUWJMJYJE-GXSJLCMTSA-N -1 1 378.462 0.193 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573469928 946015073 /nfs/dbraw/zinc/01/50/73/946015073.db2.gz AENGOCUWJMJYJE-KOLCDFICSA-N -1 1 378.462 0.193 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001573470330 946022353 /nfs/dbraw/zinc/02/23/53/946022353.db2.gz CVPWEKYGWDJIIW-ONGXEEELSA-N -1 1 392.489 0.805 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573470370 946022670 /nfs/dbraw/zinc/02/26/70/946022670.db2.gz DFICPLAASSAZKC-ZYHUDNBSSA-N -1 1 392.489 0.583 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573470426 946023863 /nfs/dbraw/zinc/02/38/63/946023863.db2.gz FDGXFUNNCVEDFA-DGCLKSJQSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573470426 946023878 /nfs/dbraw/zinc/02/38/78/946023878.db2.gz FDGXFUNNCVEDFA-DGCLKSJQSA-N -1 1 387.448 0.140 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@@H](CN(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001571290047 946026472 /nfs/dbraw/zinc/02/64/72/946026472.db2.gz TYQFFVRBPVYHQN-DZGCQCFKSA-N -1 1 388.476 0.921 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@@H](CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001571290047 946026482 /nfs/dbraw/zinc/02/64/82/946026482.db2.gz TYQFFVRBPVYHQN-DZGCQCFKSA-N -1 1 388.476 0.921 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cccn3C)[C@H](O)C2)c1-c1nn[n-]n1 ZINC001571290137 946031511 /nfs/dbraw/zinc/03/15/11/946031511.db2.gz VWYFQEXLSBPYIW-ZYHUDNBSSA-N -1 1 388.457 0.340 20 0 GCADMM CN(CCC1CCN(C(=O)CC(C)(C)O)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571290233 946034359 /nfs/dbraw/zinc/03/43/59/946034359.db2.gz YFNCAZVIQXRXTF-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CN(CCC1CCN(C(=O)CC(C)(C)O)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571290233 946034370 /nfs/dbraw/zinc/03/43/70/946034370.db2.gz YFNCAZVIQXRXTF-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cc(Cl)n(C)n1 ZINC001571290378 946041886 /nfs/dbraw/zinc/04/18/86/946041886.db2.gz CMNPKKAYIABXRA-PSASIEDQSA-N -1 1 388.823 0.298 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cc(Cl)n(C)n1 ZINC001571290378 946041896 /nfs/dbraw/zinc/04/18/96/946041896.db2.gz CMNPKKAYIABXRA-PSASIEDQSA-N -1 1 388.823 0.298 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573471137 946043381 /nfs/dbraw/zinc/04/33/81/946043381.db2.gz MLMNKGRVUZFTBU-NSHDSACASA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573471137 946043396 /nfs/dbraw/zinc/04/33/96/946043396.db2.gz MLMNKGRVUZFTBU-NSHDSACASA-N -1 1 387.448 0.140 20 0 GCADMM O=C(CNC(=O)Cn1ccc(-c2nn[n-]n2)cc1=O)Nc1ccc(F)c(F)c1 ZINC001571290503 946043968 /nfs/dbraw/zinc/04/39/68/946043968.db2.gz HHBFXTKQVHXDKA-UHFFFAOYSA-N -1 1 389.322 0.062 20 0 GCADMM Cn1nc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1Cl ZINC001571290502 946044550 /nfs/dbraw/zinc/04/45/50/946044550.db2.gz HFSSLRPYZZWMPC-VIFPVBQESA-N -1 1 388.823 0.182 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573471035 946044704 /nfs/dbraw/zinc/04/47/04/946044704.db2.gz LTQLODJKJZZGSC-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573471035 946044714 /nfs/dbraw/zinc/04/47/14/946044714.db2.gz LTQLODJKJZZGSC-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM Cn1cc(Cl)c(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571290535 946047707 /nfs/dbraw/zinc/04/77/07/946047707.db2.gz IFAKVMWXGKMWSS-UHFFFAOYSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1cc(Cl)c(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571290535 946047717 /nfs/dbraw/zinc/04/77/17/946047717.db2.gz IFAKVMWXGKMWSS-UHFFFAOYSA-N -1 1 388.823 0.760 20 0 GCADMM CN(C(=O)Cn1cc(Cl)cn1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571290655 946049497 /nfs/dbraw/zinc/04/94/97/946049497.db2.gz KXAQXXAUEDYLMG-LLVKDONJSA-N -1 1 388.823 0.244 20 0 GCADMM CN(C(=O)Cn1cc(Cl)cn1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571290655 946049507 /nfs/dbraw/zinc/04/95/07/946049507.db2.gz KXAQXXAUEDYLMG-LLVKDONJSA-N -1 1 388.823 0.244 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c(Cl)n1 ZINC001571290664 946050036 /nfs/dbraw/zinc/05/00/36/946050036.db2.gz LDAZRONKDDAFJU-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c(Cl)n1 ZINC001571290664 946050044 /nfs/dbraw/zinc/05/00/44/946050044.db2.gz LDAZRONKDDAFJU-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1cc(Cl)c(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571290657 946051550 /nfs/dbraw/zinc/05/15/50/946051550.db2.gz KXVKGBBNDUBPTB-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1cc(Cl)c(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571290657 946051559 /nfs/dbraw/zinc/05/15/59/946051559.db2.gz KXVKGBBNDUBPTB-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1nc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1Cl ZINC001571290688 946051582 /nfs/dbraw/zinc/05/15/82/946051582.db2.gz LYLIRNKLBMTAGZ-KYZUINATSA-N -1 1 388.823 0.664 20 0 GCADMM Cn1nc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1Cl ZINC001571290688 946051593 /nfs/dbraw/zinc/05/15/93/946051593.db2.gz LYLIRNKLBMTAGZ-KYZUINATSA-N -1 1 388.823 0.664 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290713 946052611 /nfs/dbraw/zinc/05/26/11/946052611.db2.gz NANDMHNRLYGIEP-NSHDSACASA-N -1 1 388.823 0.610 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290713 946052623 /nfs/dbraw/zinc/05/26/23/946052623.db2.gz NANDMHNRLYGIEP-NSHDSACASA-N -1 1 388.823 0.610 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571290709 946054312 /nfs/dbraw/zinc/05/43/12/946054312.db2.gz MVGPYEKHIICUTC-QMMMGPOBSA-N -1 1 388.823 0.693 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571290709 946054323 /nfs/dbraw/zinc/05/43/23/946054323.db2.gz MVGPYEKHIICUTC-QMMMGPOBSA-N -1 1 388.823 0.693 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cnn(C)c3Cl)C2)n1 ZINC001571290835 946056968 /nfs/dbraw/zinc/05/69/68/946056968.db2.gz QMEBOFZVHWGNAJ-SECBINFHSA-N -1 1 388.823 0.361 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cnn(C)c3Cl)C2)n1 ZINC001571290835 946056979 /nfs/dbraw/zinc/05/69/79/946056979.db2.gz QMEBOFZVHWGNAJ-SECBINFHSA-N -1 1 388.823 0.361 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)n1 ZINC001571290808 946057745 /nfs/dbraw/zinc/05/77/45/946057745.db2.gz PSNUVUCSPOFVQC-UHFFFAOYSA-N -1 1 388.775 0.618 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)n1 ZINC001571290808 946057757 /nfs/dbraw/zinc/05/77/57/946057757.db2.gz PSNUVUCSPOFVQC-UHFFFAOYSA-N -1 1 388.775 0.618 20 0 GCADMM Cn1cc(Cl)c(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571291007 946061859 /nfs/dbraw/zinc/06/18/59/946061859.db2.gz XVQQZXJGSCJRPV-UHFFFAOYSA-N -1 1 388.823 0.664 20 0 GCADMM Cn1cc(Cl)c(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571291007 946061873 /nfs/dbraw/zinc/06/18/73/946061873.db2.gz XVQQZXJGSCJRPV-UHFFFAOYSA-N -1 1 388.823 0.664 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1cnc(Cl)n1C ZINC001571291042 946065882 /nfs/dbraw/zinc/06/58/82/946065882.db2.gz ZCHNIPVCHOEEBG-PSASIEDQSA-N -1 1 388.823 0.298 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1cnc(Cl)n1C ZINC001571291042 946065890 /nfs/dbraw/zinc/06/58/90/946065890.db2.gz ZCHNIPVCHOEEBG-PSASIEDQSA-N -1 1 388.823 0.298 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1=CCS(=O)(=O)C1 ZINC001571291982 946088422 /nfs/dbraw/zinc/08/84/22/946088422.db2.gz RTFHSJSEXIJIQO-UHFFFAOYSA-N -1 1 389.372 0.485 20 0 GCADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCOC2(CCCCC2)C1 ZINC001571292345 946093783 /nfs/dbraw/zinc/09/37/83/946093783.db2.gz YCFITJFUFMSEBH-UHFFFAOYSA-N -1 1 389.416 0.081 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2O)co1 ZINC001571293200 946099548 /nfs/dbraw/zinc/09/95/48/946099548.db2.gz BBXUXPRFASJROL-NEPJUHHUSA-N -1 1 389.441 0.903 20 0 GCADMM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571293260 946100648 /nfs/dbraw/zinc/10/06/48/946100648.db2.gz CRZDXMBCADFZBU-GMSGAONNSA-N -1 1 389.445 0.825 20 0 GCADMM O=C(N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)C1(c2cccnc2)CC1 ZINC001571293259 946101447 /nfs/dbraw/zinc/10/14/47/946101447.db2.gz CROUDWFGHNLADH-KBPBESRZSA-N -1 1 389.423 0.573 20 0 GCADMM Cc1c[nH]c(C(=O)NC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)CCO2)n1 ZINC001571293356 946103895 /nfs/dbraw/zinc/10/38/95/946103895.db2.gz GFOGQJXTKMJTKZ-JTQLQIEISA-N -1 1 389.445 0.298 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573475777 946106307 /nfs/dbraw/zinc/10/63/07/946106307.db2.gz AOVAYMBXFSZOFW-JOYOIKCWSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573475777 946106314 /nfs/dbraw/zinc/10/63/14/946106314.db2.gz AOVAYMBXFSZOFW-JOYOIKCWSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573475778 946106604 /nfs/dbraw/zinc/10/66/04/946106604.db2.gz AOVAYMBXFSZOFW-SKDRFNHKSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573475778 946106612 /nfs/dbraw/zinc/10/66/12/946106612.db2.gz AOVAYMBXFSZOFW-SKDRFNHKSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573475890 946107822 /nfs/dbraw/zinc/10/78/22/946107822.db2.gz XGFRNUMRVRKWSI-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573475890 946107830 /nfs/dbraw/zinc/10/78/30/946107830.db2.gz XGFRNUMRVRKWSI-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573475940 946108195 /nfs/dbraw/zinc/10/81/95/946108195.db2.gz XUCSFAOJFQGXRQ-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573475940 946108204 /nfs/dbraw/zinc/10/82/04/946108204.db2.gz XUCSFAOJFQGXRQ-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573475950 946109931 /nfs/dbraw/zinc/10/99/31/946109931.db2.gz XUCSFAOJFQGXRQ-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573475950 946109937 /nfs/dbraw/zinc/10/99/37/946109937.db2.gz XUCSFAOJFQGXRQ-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573476026 946111321 /nfs/dbraw/zinc/11/13/21/946111321.db2.gz CHVDSRYONPIGQB-SVRRBLITSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001573476403 946118105 /nfs/dbraw/zinc/11/81/05/946118105.db2.gz GMPQVVJGIAAATP-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001573476403 946118113 /nfs/dbraw/zinc/11/81/13/946118113.db2.gz GMPQVVJGIAAATP-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(C)C ZINC001573476420 946118431 /nfs/dbraw/zinc/11/84/31/946118431.db2.gz GQDUUSAUPRKXPL-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(C)C ZINC001573476420 946118436 /nfs/dbraw/zinc/11/84/36/946118436.db2.gz GQDUUSAUPRKXPL-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573476570 946121902 /nfs/dbraw/zinc/12/19/02/946121902.db2.gz HZTWIGUKTGHGJW-HTRCEHHLSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573476570 946121910 /nfs/dbraw/zinc/12/19/10/946121910.db2.gz HZTWIGUKTGHGJW-HTRCEHHLSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573476862 946125131 /nfs/dbraw/zinc/12/51/31/946125131.db2.gz KACZXBXMCQGNNB-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573476862 946125138 /nfs/dbraw/zinc/12/51/38/946125138.db2.gz KACZXBXMCQGNNB-RQJHMYQMSA-N -1 1 386.869 0.442 20 0 GCADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)c1-c1nn[n-]n1 ZINC001571294071 946125441 /nfs/dbraw/zinc/12/54/41/946125441.db2.gz ZNIDHYBSFMBYBR-VIFPVBQESA-N -1 1 389.445 0.422 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571294203 946127637 /nfs/dbraw/zinc/12/76/37/946127637.db2.gz AQFIBFFCRBTUTP-UHFFFAOYSA-N -1 1 390.358 0.965 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571294203 946127650 /nfs/dbraw/zinc/12/76/50/946127650.db2.gz AQFIBFFCRBTUTP-UHFFFAOYSA-N -1 1 390.358 0.965 20 0 GCADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571294164 946128435 /nfs/dbraw/zinc/12/84/35/946128435.db2.gz BVAFPPCOZAIYEQ-KSSYENDESA-N -1 1 389.485 0.998 20 0 GCADMM Cc1noc(Cl)c1CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294365 946131966 /nfs/dbraw/zinc/13/19/66/946131966.db2.gz GVSHZRKVTBUGKF-SECBINFHSA-N -1 1 389.807 0.862 20 0 GCADMM Cc1noc(Cl)c1CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294365 946131969 /nfs/dbraw/zinc/13/19/69/946131969.db2.gz GVSHZRKVTBUGKF-SECBINFHSA-N -1 1 389.807 0.862 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573477353 946134600 /nfs/dbraw/zinc/13/46/00/946134600.db2.gz PCTSVQVBZDHRET-GXSJLCMTSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573477513 946139017 /nfs/dbraw/zinc/13/90/17/946139017.db2.gz RLCBICQCHVXZRY-GCVQQVDUSA-N -1 1 392.489 0.996 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C(F)F)c1 ZINC001571294564 946139103 /nfs/dbraw/zinc/13/91/03/946139103.db2.gz JJWRPWGDSBMSSC-CZMCAQCFSA-N -1 1 390.358 0.869 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C(F)F)c1 ZINC001571294564 946139107 /nfs/dbraw/zinc/13/91/07/946139107.db2.gz JJWRPWGDSBMSSC-CZMCAQCFSA-N -1 1 390.358 0.869 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573477576 946139244 /nfs/dbraw/zinc/13/92/44/946139244.db2.gz SCFUWARDELDGMG-SNVBAGLBSA-N -1 1 392.489 0.631 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000822614792 946139838 /nfs/dbraw/zinc/13/98/38/946139838.db2.gz SIMQFLMLWFWKGB-ZDUSSCGKSA-N -1 1 381.400 0.917 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000822614792 946139844 /nfs/dbraw/zinc/13/98/44/946139844.db2.gz SIMQFLMLWFWKGB-ZDUSSCGKSA-N -1 1 381.400 0.917 20 0 GCADMM COc1cccc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1F ZINC001571294663 946140356 /nfs/dbraw/zinc/14/03/56/946140356.db2.gz LDSIIRYAVPXQRP-UHFFFAOYSA-N -1 1 390.335 0.098 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001573478255 946145058 /nfs/dbraw/zinc/14/50/58/946145058.db2.gz WEHHVWMBFLBEBX-ONGXEEELSA-N -1 1 392.489 0.487 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cnn(C(F)F)c1 ZINC001571294813 946146002 /nfs/dbraw/zinc/14/60/02/946146002.db2.gz MONNSAFNSBBHMJ-PSASIEDQSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cnn(C(F)F)c1 ZINC001571294813 946146005 /nfs/dbraw/zinc/14/60/05/946146005.db2.gz MONNSAFNSBBHMJ-PSASIEDQSA-N -1 1 390.358 0.963 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001573478494 946148225 /nfs/dbraw/zinc/14/82/25/946148225.db2.gz XAJOWQKEAAESTK-JHVJFKRDSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001573478494 946148231 /nfs/dbraw/zinc/14/82/31/946148231.db2.gz XAJOWQKEAAESTK-JHVJFKRDSA-N -1 1 385.432 0.021 20 0 GCADMM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571294944 946149798 /nfs/dbraw/zinc/14/97/98/946149798.db2.gz MRCPSWYBXXQADG-MNOVXSKESA-N -1 1 389.485 0.472 20 0 GCADMM Cn1cc(N2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CC2)cn1 ZINC000822685168 946155857 /nfs/dbraw/zinc/15/58/57/946155857.db2.gz UABJAGONFHLXRN-UHFFFAOYSA-N -1 1 392.420 0.250 20 0 GCADMM Cn1cc(N2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CC2)cn1 ZINC000822685168 946155861 /nfs/dbraw/zinc/15/58/61/946155861.db2.gz UABJAGONFHLXRN-UHFFFAOYSA-N -1 1 392.420 0.250 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2cnn(C(F)F)c2)C1 ZINC001571295310 946159310 /nfs/dbraw/zinc/15/93/10/946159310.db2.gz XJFQVPOFIDVCDM-SNVBAGLBSA-N -1 1 390.358 0.599 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2cnn(C(F)F)c2)C1 ZINC001571295310 946159313 /nfs/dbraw/zinc/15/93/13/946159313.db2.gz XJFQVPOFIDVCDM-SNVBAGLBSA-N -1 1 390.358 0.599 20 0 GCADMM O=C(c1ccc(Cl)[nH]1)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571295376 946161780 /nfs/dbraw/zinc/16/17/80/946161780.db2.gz ZBVDACWLINVYAG-SECBINFHSA-N -1 1 389.807 0.591 20 0 GCADMM O=C(c1ccc(Cl)[nH]1)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571295376 946161787 /nfs/dbraw/zinc/16/17/87/946161787.db2.gz ZBVDACWLINVYAG-SECBINFHSA-N -1 1 389.807 0.591 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573479544 946164088 /nfs/dbraw/zinc/16/40/88/946164088.db2.gz FDELUFLUELOYDA-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573479544 946164093 /nfs/dbraw/zinc/16/40/93/946164093.db2.gz FDELUFLUELOYDA-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573479546 946164165 /nfs/dbraw/zinc/16/41/65/946164165.db2.gz FERAPMFFNGTDRN-AAEUAGOBSA-N -1 1 387.448 0.047 20 0 GCADMM Cc1noc(Cl)c1CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571295432 946164561 /nfs/dbraw/zinc/16/45/61/946164561.db2.gz SSJDNWAYFWEVTH-VIFPVBQESA-N -1 1 389.807 0.862 20 0 GCADMM Cc1noc(Cl)c1CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571295432 946164567 /nfs/dbraw/zinc/16/45/67/946164567.db2.gz SSJDNWAYFWEVTH-VIFPVBQESA-N -1 1 389.807 0.862 20 0 GCADMM O=C(N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C1(F)CCOCC1 ZINC001571295727 946172667 /nfs/dbraw/zinc/17/26/67/946172667.db2.gz DFZLOSUEFNBJAI-UHFFFAOYSA-N -1 1 390.423 0.826 20 0 GCADMM O=C(N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C1(F)CCOCC1 ZINC001571295727 946172673 /nfs/dbraw/zinc/17/26/73/946172673.db2.gz DFZLOSUEFNBJAI-UHFFFAOYSA-N -1 1 390.423 0.826 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295698 946172745 /nfs/dbraw/zinc/17/27/45/946172745.db2.gz CLAZWPGYIRKAKT-LBPRGKRZSA-N -1 1 390.423 0.603 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295698 946172750 /nfs/dbraw/zinc/17/27/50/946172750.db2.gz CLAZWPGYIRKAKT-LBPRGKRZSA-N -1 1 390.423 0.603 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)C2(CF)CCC2)CCO1 ZINC001571295776 946174687 /nfs/dbraw/zinc/17/46/87/946174687.db2.gz FWCXEAMBPWNLJR-DGCLKSJQSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C2(CF)CCC2)CCO1 ZINC001571295776 946174699 /nfs/dbraw/zinc/17/46/99/946174699.db2.gz FWCXEAMBPWNLJR-DGCLKSJQSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295856 946176091 /nfs/dbraw/zinc/17/60/91/946176091.db2.gz HRHKPHMGWKJNPE-NEPJUHHUSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295856 946176097 /nfs/dbraw/zinc/17/60/97/946176097.db2.gz HRHKPHMGWKJNPE-NEPJUHHUSA-N -1 1 390.423 0.824 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccc(F)s1 ZINC001571295834 946176238 /nfs/dbraw/zinc/17/62/38/946176238.db2.gz HGAOJABVEDJLOY-RKDXNWHRSA-N -1 1 390.404 0.491 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccc(F)s1 ZINC001571295834 946176243 /nfs/dbraw/zinc/17/62/43/946176243.db2.gz HGAOJABVEDJLOY-RKDXNWHRSA-N -1 1 390.404 0.491 20 0 GCADMM O=C(c1cccc2c1OCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571296138 946187416 /nfs/dbraw/zinc/18/74/16/946187416.db2.gz OXPDRTXDWJFWTI-STQMWFEESA-N -1 1 390.407 0.695 20 0 GCADMM O=C(c1cccc2c1OCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571296138 946187426 /nfs/dbraw/zinc/18/74/26/946187426.db2.gz OXPDRTXDWJFWTI-STQMWFEESA-N -1 1 390.407 0.695 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccc(F)s1 ZINC001571296339 946191972 /nfs/dbraw/zinc/19/19/72/946191972.db2.gz VGGPWRUMSILRST-BDAKNGLRSA-N -1 1 390.404 0.227 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573482287 946193461 /nfs/dbraw/zinc/19/34/61/946193461.db2.gz WCSUQUNLSUTIBV-AAEUAGOBSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573482287 946193464 /nfs/dbraw/zinc/19/34/64/946193464.db2.gz WCSUQUNLSUTIBV-AAEUAGOBSA-N -1 1 387.448 0.047 20 0 GCADMM O=C(N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1)[C@@]1(F)CCOC1 ZINC001571296396 946195236 /nfs/dbraw/zinc/19/52/36/946195236.db2.gz WXVHDSAMJLSHFQ-YVEFUNNKSA-N -1 1 390.423 0.968 20 0 GCADMM O=C(N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1)[C@@]1(F)CCOC1 ZINC001571296396 946195242 /nfs/dbraw/zinc/19/52/42/946195242.db2.gz WXVHDSAMJLSHFQ-YVEFUNNKSA-N -1 1 390.423 0.968 20 0 GCADMM CC1(C)OC[C@H](CCn2cc(CN3CCOCC3)cc(-c3nn[n-]n3)c2=O)O1 ZINC001571296514 946195970 /nfs/dbraw/zinc/19/59/70/946195970.db2.gz ZTSVZVYONJUXLN-AWEZNQCLSA-N -1 1 390.444 0.402 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571296520 946196356 /nfs/dbraw/zinc/19/63/56/946196356.db2.gz ZXBYYUZUQNPAQW-RHSMWYFYSA-N -1 1 390.423 0.459 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571296520 946196361 /nfs/dbraw/zinc/19/63/61/946196361.db2.gz ZXBYYUZUQNPAQW-RHSMWYFYSA-N -1 1 390.423 0.459 20 0 GCADMM COCc1ccc(OC)c(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001571296466 946197601 /nfs/dbraw/zinc/19/76/01/946197601.db2.gz YRCLLELGXYGIRD-UHFFFAOYSA-N -1 1 390.425 0.895 20 0 GCADMM COCc1ccc(OC)c(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001571296466 946197609 /nfs/dbraw/zinc/19/76/09/946197609.db2.gz YRCLLELGXYGIRD-UHFFFAOYSA-N -1 1 390.425 0.895 20 0 GCADMM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571297829 946198911 /nfs/dbraw/zinc/19/89/11/946198911.db2.gz ANEDVDJWXBCHTF-PBOSXPJTSA-N -1 1 390.469 0.138 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573482583 946199383 /nfs/dbraw/zinc/19/93/83/946199383.db2.gz YJBRULVTSWTFDP-KOLCDFICSA-N -1 1 380.478 0.709 20 0 GCADMM Cc1nsc(N[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571297925 946202500 /nfs/dbraw/zinc/20/25/00/946202500.db2.gz DNCQRXTVPGGRCV-DVVUODLYSA-N -1 1 390.473 0.417 20 0 GCADMM Cc1nsc(N2CC[C@](C)(NC(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571298023 946203048 /nfs/dbraw/zinc/20/30/48/946203048.db2.gz HKKABUWSQFKTKA-QFYYESIMSA-N -1 1 390.473 0.243 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCCC3=O)[C@H]2C)c1-c1nn[n-]n1 ZINC001571298211 946208033 /nfs/dbraw/zinc/20/80/33/946208033.db2.gz JTAWOEMJYBQLPW-QWRGUYRKSA-N -1 1 390.473 0.655 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573483365 946209564 /nfs/dbraw/zinc/20/95/64/946209564.db2.gz FCFASVKXLFBCRR-JQWIXIFHSA-N -1 1 392.489 0.489 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573483381 946209746 /nfs/dbraw/zinc/20/97/46/946209746.db2.gz FLDMTTJCAPAIAC-SNVBAGLBSA-N -1 1 392.489 0.855 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573484608 946217232 /nfs/dbraw/zinc/21/72/32/946217232.db2.gz MXZFLHVVYQWVJH-ZMLRMANQSA-N -1 1 392.489 0.853 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCCC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573485398 946224168 /nfs/dbraw/zinc/22/41/68/946224168.db2.gz SASVTBBKKSZPTC-AAEUAGOBSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCCC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573485398 946224181 /nfs/dbraw/zinc/22/41/81/946224181.db2.gz SASVTBBKKSZPTC-AAEUAGOBSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573485526 946231247 /nfs/dbraw/zinc/23/12/47/946231247.db2.gz USJVQJQGIDIJEH-WHWRDJHUSA-N -1 1 399.459 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573485526 946231255 /nfs/dbraw/zinc/23/12/55/946231255.db2.gz USJVQJQGIDIJEH-WHWRDJHUSA-N -1 1 399.459 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573486039 946235845 /nfs/dbraw/zinc/23/58/45/946235845.db2.gz BZVAYXWABCMNJJ-DRZSPHRISA-N -1 1 387.448 0.329 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573486039 946235856 /nfs/dbraw/zinc/23/58/56/946235856.db2.gz BZVAYXWABCMNJJ-DRZSPHRISA-N -1 1 387.448 0.329 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)c1-c1nn[n-]n1 ZINC001571299165 946240366 /nfs/dbraw/zinc/24/03/66/946240366.db2.gz URXDCQULWXRRMM-GHMZBOCLSA-N -1 1 390.473 0.655 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC001573486564 946242840 /nfs/dbraw/zinc/24/28/40/946242840.db2.gz HDAVFRQUXXMSAV-OOZYFLPDSA-N -1 1 398.880 0.585 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC001573486564 946242854 /nfs/dbraw/zinc/24/28/54/946242854.db2.gz HDAVFRQUXXMSAV-OOZYFLPDSA-N -1 1 398.880 0.585 20 0 GCADMM Cc1nsc(N2CC[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571299285 946245919 /nfs/dbraw/zinc/24/59/19/946245919.db2.gz VKPGLIZHFOIJLE-WDEREUQCSA-N -1 1 390.473 0.100 20 0 GCADMM Cc1nsc(N2CC[C@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)c1-c1nn[n-]n1 ZINC001571299535 946253265 /nfs/dbraw/zinc/25/32/65/946253265.db2.gz WSLJOIPATNXCSN-GHMZBOCLSA-N -1 1 390.473 0.052 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573487662 946256370 /nfs/dbraw/zinc/25/63/70/946256370.db2.gz QXLSWSMBRANTIB-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573487662 946256380 /nfs/dbraw/zinc/25/63/80/946256380.db2.gz QXLSWSMBRANTIB-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM Cc1nsc(NC[C@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571299594 946257098 /nfs/dbraw/zinc/25/70/98/946257098.db2.gz YHQVONRUEQSZTL-HWPZZCPQSA-N -1 1 390.473 0.561 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573487864 946259742 /nfs/dbraw/zinc/25/97/42/946259742.db2.gz UZQDYVUEEHROAC-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573487864 946259749 /nfs/dbraw/zinc/25/97/49/946259749.db2.gz UZQDYVUEEHROAC-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488589 946269432 /nfs/dbraw/zinc/26/94/32/946269432.db2.gz DZKQPURJMMJHFD-WDEREUQCSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488589 946269443 /nfs/dbraw/zinc/26/94/43/946269443.db2.gz DZKQPURJMMJHFD-WDEREUQCSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573488595 946269873 /nfs/dbraw/zinc/26/98/73/946269873.db2.gz FDRLPPHVLMDVDR-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573488595 946269882 /nfs/dbraw/zinc/26/98/82/946269882.db2.gz FDRLPPHVLMDVDR-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488587 946270306 /nfs/dbraw/zinc/27/03/06/946270306.db2.gz DZKQPURJMMJHFD-MNOVXSKESA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488587 946270317 /nfs/dbraw/zinc/27/03/17/946270317.db2.gz DZKQPURJMMJHFD-MNOVXSKESA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488647 946271557 /nfs/dbraw/zinc/27/15/57/946271557.db2.gz HEGXNVYFKLPPBN-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488647 946271567 /nfs/dbraw/zinc/27/15/67/946271567.db2.gz HEGXNVYFKLPPBN-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488681 946272012 /nfs/dbraw/zinc/27/20/12/946272012.db2.gz IKFDNLSNYNYVNQ-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488681 946272023 /nfs/dbraw/zinc/27/20/23/946272023.db2.gz IKFDNLSNYNYVNQ-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488680 946273385 /nfs/dbraw/zinc/27/33/85/946273385.db2.gz IKFDNLSNYNYVNQ-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488680 946273399 /nfs/dbraw/zinc/27/33/99/946273399.db2.gz IKFDNLSNYNYVNQ-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488702 946274504 /nfs/dbraw/zinc/27/45/04/946274504.db2.gz JHBKVPIUMUYIEQ-LLVKDONJSA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488702 946274510 /nfs/dbraw/zinc/27/45/10/946274510.db2.gz JHBKVPIUMUYIEQ-LLVKDONJSA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488703 946275670 /nfs/dbraw/zinc/27/56/70/946275670.db2.gz JHBKVPIUMUYIEQ-NSHDSACASA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488703 946275679 /nfs/dbraw/zinc/27/56/79/946275679.db2.gz JHBKVPIUMUYIEQ-NSHDSACASA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573489014 946283395 /nfs/dbraw/zinc/28/33/95/946283395.db2.gz UFRDHNFKPZBZRQ-QWRGUYRKSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573489014 946283404 /nfs/dbraw/zinc/28/34/04/946283404.db2.gz UFRDHNFKPZBZRQ-QWRGUYRKSA-N -1 1 387.448 0.411 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ocnc1C(F)F ZINC001571301778 946283696 /nfs/dbraw/zinc/28/36/96/946283696.db2.gz DAPYJHQCLMTGPY-MRVPVSSYSA-N -1 1 391.342 0.839 20 0 GCADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ocnc1C(F)F ZINC001571301778 946283703 /nfs/dbraw/zinc/28/37/03/946283703.db2.gz DAPYJHQCLMTGPY-MRVPVSSYSA-N -1 1 391.342 0.839 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573492678 946295169 /nfs/dbraw/zinc/29/51/69/946295169.db2.gz FAEQXIGSZUASAR-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573492678 946295178 /nfs/dbraw/zinc/29/51/78/946295178.db2.gz FAEQXIGSZUASAR-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM O=C(Cc1cccnc1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571302554 946307840 /nfs/dbraw/zinc/30/78/40/946307840.db2.gz BELVTYDVFAHPEE-KKUMJFAQSA-N -1 1 391.439 0.768 20 0 GCADMM O=C(Cc1cccnc1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571302554 946307845 /nfs/dbraw/zinc/30/78/45/946307845.db2.gz BELVTYDVFAHPEE-KKUMJFAQSA-N -1 1 391.439 0.768 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571302657 946309528 /nfs/dbraw/zinc/30/95/28/946309528.db2.gz DPUFYIFEOXEZGJ-VHDGCEQUSA-N -1 1 391.439 0.798 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571302657 946309542 /nfs/dbraw/zinc/30/95/42/946309542.db2.gz DPUFYIFEOXEZGJ-VHDGCEQUSA-N -1 1 391.439 0.798 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cc2c([nH]1)CCC2 ZINC001571302697 946309725 /nfs/dbraw/zinc/30/97/25/946309725.db2.gz GATLKNIQWZNQPQ-XYYAHUGASA-N -1 1 391.439 0.586 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cc2c([nH]1)CCC2 ZINC001571302697 946309738 /nfs/dbraw/zinc/30/97/38/946309738.db2.gz GATLKNIQWZNQPQ-XYYAHUGASA-N -1 1 391.439 0.586 20 0 GCADMM CCc1cccc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)n1 ZINC001571302749 946313277 /nfs/dbraw/zinc/31/32/77/946313277.db2.gz BBQQFYYDJUOMAC-BETUJISGSA-N -1 1 391.439 0.823 20 0 GCADMM CCc1cccc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)n1 ZINC001571302749 946313287 /nfs/dbraw/zinc/31/32/87/946313287.db2.gz BBQQFYYDJUOMAC-BETUJISGSA-N -1 1 391.439 0.823 20 0 GCADMM Cc1cncc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)c1 ZINC001571302848 946315026 /nfs/dbraw/zinc/31/50/26/946315026.db2.gz HPVWIEVANYSRFJ-KFWWJZLASA-N -1 1 391.439 0.829 20 0 GCADMM Cc1cncc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)c1 ZINC001571302848 946315037 /nfs/dbraw/zinc/31/50/37/946315037.db2.gz HPVWIEVANYSRFJ-KFWWJZLASA-N -1 1 391.439 0.829 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000823123189 946324736 /nfs/dbraw/zinc/32/47/36/946324736.db2.gz RGVRTFLHFZASNS-AWEZNQCLSA-N -1 1 386.391 0.805 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H]3Cc4cccnc4C3)C2)n1 ZINC001571303153 946326360 /nfs/dbraw/zinc/32/63/60/946326360.db2.gz ITVXYYIPTREKBH-KBPBESRZSA-N -1 1 391.439 0.470 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@H]3Cc4cccnc4C3)C2)n1 ZINC001571303153 946326372 /nfs/dbraw/zinc/32/63/72/946326372.db2.gz ITVXYYIPTREKBH-KBPBESRZSA-N -1 1 391.439 0.470 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000823132050 946327216 /nfs/dbraw/zinc/32/72/16/946327216.db2.gz XDBHWPIIAIBPBU-UHFFFAOYSA-N -1 1 399.396 0.292 20 0 GCADMM COCCN(CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001571303394 946334371 /nfs/dbraw/zinc/33/43/71/946334371.db2.gz LRNGQLZQEUUPQK-UHFFFAOYSA-N -1 1 391.432 0.761 20 0 GCADMM COCCN(CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC001571303394 946334382 /nfs/dbraw/zinc/33/43/82/946334382.db2.gz LRNGQLZQEUUPQK-UHFFFAOYSA-N -1 1 391.432 0.761 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001571303584 946342026 /nfs/dbraw/zinc/34/20/26/946342026.db2.gz NVDVFTJVHGIDIF-GHMZBOCLSA-N -1 1 391.436 0.410 20 0 GCADMM CCc1cccnc1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571304030 946355864 /nfs/dbraw/zinc/35/58/64/946355864.db2.gz WGGKCFCXPGGNBI-ZSOGYDGISA-N -1 1 391.439 0.726 20 0 GCADMM CCc1cccnc1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571304030 946355875 /nfs/dbraw/zinc/35/58/75/946355875.db2.gz WGGKCFCXPGGNBI-ZSOGYDGISA-N -1 1 391.439 0.726 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305796 946376061 /nfs/dbraw/zinc/37/60/61/946376061.db2.gz CYVGHNFSHFESTF-DBIOUOCHSA-N -1 1 391.457 0.747 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573501477 946378857 /nfs/dbraw/zinc/37/88/57/946378857.db2.gz PEBBCRUCYPIUPT-POYBYMJQSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573501477 946378870 /nfs/dbraw/zinc/37/88/70/946378870.db2.gz PEBBCRUCYPIUPT-POYBYMJQSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573501480 946380406 /nfs/dbraw/zinc/38/04/06/946380406.db2.gz PEBBCRUCYPIUPT-XPUUQOCRSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573501480 946380418 /nfs/dbraw/zinc/38/04/18/946380418.db2.gz PEBBCRUCYPIUPT-XPUUQOCRSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C ZINC001573502502 946388621 /nfs/dbraw/zinc/38/86/21/946388621.db2.gz WUCFXJYBRGMOFT-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H]1CN(C(=O)c2scnc2Cl)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571306081 946389095 /nfs/dbraw/zinc/38/90/95/946389095.db2.gz PDISTEMRJYSYIZ-SFYZADRCSA-N -1 1 391.848 0.761 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503654 946395400 /nfs/dbraw/zinc/39/54/00/946395400.db2.gz ATYPEJOIJDFUDK-LLVKDONJSA-N -1 1 378.462 0.195 20 0 GCADMM Cc1nsc(N2CCC[C@H](CNC(=O)C3=COCCO3)C2)c1-c1nn[n-]n1 ZINC001571306425 946399443 /nfs/dbraw/zinc/39/94/43/946399443.db2.gz KRLCCWCOMWWXCP-LLVKDONJSA-N -1 1 391.457 0.852 20 0 GCADMM CC(=O)NCC(=O)N1CCC(N(C)c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573503935 946401295 /nfs/dbraw/zinc/40/12/95/946401295.db2.gz CXTXQJCONZTEIB-UHFFFAOYSA-N -1 1 378.462 0.195 20 0 GCADMM Cc1nsc(NCC2CC(NC(=O)C[C@H]3COC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571306702 946406568 /nfs/dbraw/zinc/40/65/68/946406568.db2.gz NHCLZWGCDHGASB-HSOILSAZSA-N -1 1 391.457 0.892 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573504573 946410928 /nfs/dbraw/zinc/41/09/28/946410928.db2.gz HMTBFMJDGSUZFP-MRVPVSSYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573504573 946410930 /nfs/dbraw/zinc/41/09/30/946410930.db2.gz HMTBFMJDGSUZFP-MRVPVSSYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](N(C)c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573505396 946419690 /nfs/dbraw/zinc/41/96/90/946419690.db2.gz NBRMMOLPOWWMAR-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H]1Cc2ccc(F)cc21 ZINC001571308300 946430971 /nfs/dbraw/zinc/43/09/71/946430971.db2.gz NVOMASUMFZVBKC-SZOQZIPDSA-N -1 1 392.398 0.687 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1Cc2ccc(F)cc21 ZINC001571308300 946430983 /nfs/dbraw/zinc/43/09/83/946430983.db2.gz NVOMASUMFZVBKC-SZOQZIPDSA-N -1 1 392.398 0.687 20 0 GCADMM CC(=O)NCC(=O)N1CCC([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573506370 946431978 /nfs/dbraw/zinc/43/19/78/946431978.db2.gz RICVURJZDLNOEK-SECBINFHSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573506378 946432101 /nfs/dbraw/zinc/43/21/01/946432101.db2.gz QFRXQGHEJZJLGU-FZMZJTMJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573506378 946432106 /nfs/dbraw/zinc/43/21/06/946432106.db2.gz QFRXQGHEJZJLGU-FZMZJTMJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573506382 946432451 /nfs/dbraw/zinc/43/24/51/946432451.db2.gz QFRXQGHEJZJLGU-SMDDNHRTSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573506382 946432460 /nfs/dbraw/zinc/43/24/60/946432460.db2.gz QFRXQGHEJZJLGU-SMDDNHRTSA-N -1 1 387.448 0.222 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2ccccc2O1 ZINC001571309445 946444905 /nfs/dbraw/zinc/44/49/05/946444905.db2.gz ABBGMGPUPYRPQN-CZUORRHYSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2ccccc2O1 ZINC001571309445 946444913 /nfs/dbraw/zinc/44/49/13/946444913.db2.gz ABBGMGPUPYRPQN-CZUORRHYSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc2c1CCOC2 ZINC001571309531 946446769 /nfs/dbraw/zinc/44/67/69/946446769.db2.gz CONVEKDCPAXUDF-CYBMUJFWSA-N -1 1 392.423 0.738 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc2c1CCOC2 ZINC001571309531 946446777 /nfs/dbraw/zinc/44/67/77/946446777.db2.gz CONVEKDCPAXUDF-CYBMUJFWSA-N -1 1 392.423 0.738 20 0 GCADMM O=C(NCc1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)C2)[C@@H]1CCCO1 ZINC001571309496 946446807 /nfs/dbraw/zinc/44/68/07/946446807.db2.gz BOFXTFYSKJRPIW-INIZCTEOSA-N -1 1 392.423 0.972 20 0 GCADMM O=C(NCc1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)C2)[C@@H]1CCCO1 ZINC001571309496 946446813 /nfs/dbraw/zinc/44/68/13/946446813.db2.gz BOFXTFYSKJRPIW-INIZCTEOSA-N -1 1 392.423 0.972 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573507543 946447033 /nfs/dbraw/zinc/44/70/33/946447033.db2.gz YWKQXHXBKGSZIN-LLVKDONJSA-N -1 1 378.462 0.418 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573507545 946447904 /nfs/dbraw/zinc/44/79/04/946447904.db2.gz YWKQXHXBKGSZIN-NSHDSACASA-N -1 1 378.462 0.418 20 0 GCADMM Cc1cccc2c1O[C@H](C(=O)N1CCN(c3nccnc3-c3nnn[n-]3)CC1)C2 ZINC001571309572 946448725 /nfs/dbraw/zinc/44/87/25/946448725.db2.gz DMOZVKCFEFDPGV-AWEZNQCLSA-N -1 1 392.423 0.617 20 0 GCADMM Cc1cccc2c1O[C@H](C(=O)N1CCN(c3nccnc3-c3nn[n-]n3)CC1)C2 ZINC001571309572 946448732 /nfs/dbraw/zinc/44/87/32/946448732.db2.gz DMOZVKCFEFDPGV-AWEZNQCLSA-N -1 1 392.423 0.617 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCc2ccccc2O1 ZINC001571309720 946450280 /nfs/dbraw/zinc/45/02/80/946450280.db2.gz INOCOAKLMKZEBA-XJKSGUPXSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2ccccc2O1 ZINC001571309720 946450289 /nfs/dbraw/zinc/45/02/89/946450289.db2.gz INOCOAKLMKZEBA-XJKSGUPXSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCc2ccccc2O1 ZINC001571309717 946451512 /nfs/dbraw/zinc/45/15/12/946451512.db2.gz INOCOAKLMKZEBA-BBRMVZONSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2ccccc2O1 ZINC001571309717 946451522 /nfs/dbraw/zinc/45/15/22/946451522.db2.gz INOCOAKLMKZEBA-BBRMVZONSA-N -1 1 392.423 0.745 20 0 GCADMM Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571309768 946452817 /nfs/dbraw/zinc/45/28/17/946452817.db2.gz KDLKKKQMALEDNE-SNVBAGLBSA-N -1 1 392.420 0.703 20 0 GCADMM O=C([C@@H]1CCOc2ccccc21)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571309745 946453798 /nfs/dbraw/zinc/45/37/98/946453798.db2.gz JHAZNWZPBWUJID-CQSZACIVSA-N -1 1 392.423 0.872 20 0 GCADMM O=C([C@@H]1CCOc2ccccc21)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571309745 946453806 /nfs/dbraw/zinc/45/38/06/946453806.db2.gz JHAZNWZPBWUJID-CQSZACIVSA-N -1 1 392.423 0.872 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@@H]1Cc2ccccc2O1 ZINC001571309878 946454599 /nfs/dbraw/zinc/45/45/99/946454599.db2.gz NUQINITZUCZENI-ZFWWWQNUSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCOc2ccccc21 ZINC001571310019 946458772 /nfs/dbraw/zinc/45/87/72/946458772.db2.gz SAXSBEWDOGWTRI-OCCSQVGLSA-N -1 1 392.423 0.918 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCOc2ccccc21 ZINC001571310019 946458774 /nfs/dbraw/zinc/45/87/74/946458774.db2.gz SAXSBEWDOGWTRI-OCCSQVGLSA-N -1 1 392.423 0.918 20 0 GCADMM O=C(C[C@@H]1Cc2ccccc2O1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310089 946461308 /nfs/dbraw/zinc/46/13/08/946461308.db2.gz UXUYAMSGCWYGJS-KGLIPLIRSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(C[C@@H]1Cc2ccccc2O1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310089 946461319 /nfs/dbraw/zinc/46/13/19/946461319.db2.gz UXUYAMSGCWYGJS-KGLIPLIRSA-N -1 1 392.423 0.745 20 0 GCADMM COCc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)cc1 ZINC001571310061 946461407 /nfs/dbraw/zinc/46/14/07/946461407.db2.gz UCZNVNZSKNGPTQ-HALDLXJZSA-N -1 1 392.423 0.668 20 0 GCADMM COCc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)cc1 ZINC001571310061 946461415 /nfs/dbraw/zinc/46/14/15/946461415.db2.gz UCZNVNZSKNGPTQ-HALDLXJZSA-N -1 1 392.423 0.668 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2OC)cc1 ZINC001571310156 946463174 /nfs/dbraw/zinc/46/31/74/946463174.db2.gz WZPVIIPXWLERIQ-HZPDHXFCSA-N -1 1 392.423 0.933 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2OC)cc1 ZINC001571310156 946463178 /nfs/dbraw/zinc/46/31/78/946463178.db2.gz WZPVIIPXWLERIQ-HZPDHXFCSA-N -1 1 392.423 0.933 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1Cc2ccccc2O1 ZINC001571310195 946463435 /nfs/dbraw/zinc/46/34/35/946463435.db2.gz XXQBNCITFPINJC-AXAPSJFSSA-N -1 1 392.423 0.967 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1Cc2ccccc2O1 ZINC001571310195 946463441 /nfs/dbraw/zinc/46/34/41/946463441.db2.gz XXQBNCITFPINJC-AXAPSJFSSA-N -1 1 392.423 0.967 20 0 GCADMM COCc1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001571310141 946463765 /nfs/dbraw/zinc/46/37/65/946463765.db2.gz WKDBPHSMPYNACS-HALDLXJZSA-N -1 1 392.423 0.668 20 0 GCADMM COCc1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001571310141 946463775 /nfs/dbraw/zinc/46/37/75/946463775.db2.gz WKDBPHSMPYNACS-HALDLXJZSA-N -1 1 392.423 0.668 20 0 GCADMM C[C@@]1(NC(=O)[C@H]2Cc3ccccc3O2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571310178 946464500 /nfs/dbraw/zinc/46/45/00/946464500.db2.gz XRRLMWDFFSPHQG-AUUYWEPGSA-N -1 1 392.423 0.745 20 0 GCADMM C[C@@]1(NC(=O)[C@H]2Cc3ccccc3O2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571310178 946464505 /nfs/dbraw/zinc/46/45/05/946464505.db2.gz XRRLMWDFFSPHQG-AUUYWEPGSA-N -1 1 392.423 0.745 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573509577 946464920 /nfs/dbraw/zinc/46/49/20/946464920.db2.gz OFLBNFAEPITZRB-JOYOIKCWSA-N -1 1 392.489 0.949 20 0 GCADMM O=C(Cc1ccc2c(c1)COC2)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310248 946466004 /nfs/dbraw/zinc/46/60/04/946466004.db2.gz ZPWCOZVELQMNCF-OAHLLOKOSA-N -1 1 392.423 0.625 20 0 GCADMM O=C(Cc1ccc2c(c1)COC2)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310248 946466008 /nfs/dbraw/zinc/46/60/08/946466008.db2.gz ZPWCOZVELQMNCF-OAHLLOKOSA-N -1 1 392.423 0.625 20 0 GCADMM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573510019 946469773 /nfs/dbraw/zinc/46/97/73/946469773.db2.gz WDAUGSNKOAZABI-ZDUSSCGKSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573510019 946469779 /nfs/dbraw/zinc/46/97/79/946469779.db2.gz WDAUGSNKOAZABI-ZDUSSCGKSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573510356 946475677 /nfs/dbraw/zinc/47/56/77/946475677.db2.gz FWVDGVRZZDBACB-QMMMGPOBSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573510356 946475684 /nfs/dbraw/zinc/47/56/84/946475684.db2.gz FWVDGVRZZDBACB-QMMMGPOBSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1snc(C)c1-c1nn[n-]n1)CC(C)C ZINC001573510302 946476791 /nfs/dbraw/zinc/47/67/91/946476791.db2.gz DSTPWJCRIDTDHZ-NSHDSACASA-N -1 1 380.478 0.711 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573510768 946478946 /nfs/dbraw/zinc/47/89/46/946478946.db2.gz KPGVIQIJTRQLOW-AWEZNQCLSA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573510768 946478955 /nfs/dbraw/zinc/47/89/55/946478955.db2.gz KPGVIQIJTRQLOW-AWEZNQCLSA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573511323 946483125 /nfs/dbraw/zinc/48/31/25/946483125.db2.gz ODNCVLWJSDCZNZ-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571311246 946484582 /nfs/dbraw/zinc/48/45/82/946484582.db2.gz UORIGTUQEWTYOI-AEJSXWLSSA-N -1 1 392.445 0.437 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573511579 946486679 /nfs/dbraw/zinc/48/66/79/946486679.db2.gz BRIGMSLIENLPHM-STQMWFEESA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573511579 946486685 /nfs/dbraw/zinc/48/66/85/946486685.db2.gz BRIGMSLIENLPHM-STQMWFEESA-N -1 1 387.448 0.188 20 0 GCADMM NC(=O)C[C@@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001571311382 946487026 /nfs/dbraw/zinc/48/70/26/946487026.db2.gz WKQVMIPYDKUFSX-GFCCVEGCSA-N -1 1 392.466 0.964 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cnc(C2CC2)nc1 ZINC001571312393 946492298 /nfs/dbraw/zinc/49/22/98/946492298.db2.gz BPJNWQBPJWHQRH-ZWNOBZJWSA-N -1 1 392.427 0.579 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cnc(C2CC2)nc1 ZINC001571312393 946492302 /nfs/dbraw/zinc/49/23/02/946492302.db2.gz BPJNWQBPJWHQRH-ZWNOBZJWSA-N -1 1 392.427 0.579 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571312496 946492941 /nfs/dbraw/zinc/49/29/41/946492941.db2.gz FZRFBNFFDIJPIG-MFKMUULPSA-N -1 1 392.427 0.319 20 0 GCADMM O=C(c1cnccn1)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571312516 946492965 /nfs/dbraw/zinc/49/29/65/946492965.db2.gz GNGDKHSUCCGVQY-SFHVURJKSA-N -1 1 392.427 0.579 20 0 GCADMM CN(C(=O)c1cnc(C2CC2)nc1)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571312532 946494459 /nfs/dbraw/zinc/49/44/59/946494459.db2.gz GZPOPVHYDXJQBW-UHFFFAOYSA-N -1 1 392.427 0.461 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571312473 946494700 /nfs/dbraw/zinc/49/47/00/946494700.db2.gz FDLPSNXNQYWJCQ-GJZGRUSLSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571312473 946494703 /nfs/dbraw/zinc/49/47/03/946494703.db2.gz FDLPSNXNQYWJCQ-GJZGRUSLSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571312548 946495162 /nfs/dbraw/zinc/49/51/62/946495162.db2.gz HGCFPYKSCAKQLO-UONOGXRCSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571312548 946495167 /nfs/dbraw/zinc/49/51/67/946495167.db2.gz HGCFPYKSCAKQLO-UONOGXRCSA-N -1 1 392.427 0.908 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1cnn2c1CCC2 ZINC001571312598 946496267 /nfs/dbraw/zinc/49/62/67/946496267.db2.gz IHEXANKCCJJCDU-QKCSRTOESA-N -1 1 392.427 0.339 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1cnn2c1CCC2 ZINC001571312598 946496274 /nfs/dbraw/zinc/49/62/74/946496274.db2.gz IHEXANKCCJJCDU-QKCSRTOESA-N -1 1 392.427 0.339 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571312547 946496653 /nfs/dbraw/zinc/49/66/53/946496653.db2.gz HGCFPYKSCAKQLO-KGLIPLIRSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571312547 946496666 /nfs/dbraw/zinc/49/66/66/946496666.db2.gz HGCFPYKSCAKQLO-KGLIPLIRSA-N -1 1 392.427 0.908 20 0 GCADMM CC(=O)NCC(=O)N[C@@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573512164 946496629 /nfs/dbraw/zinc/49/66/29/946496629.db2.gz VEPDUIFGEJSZFZ-HNNXBMFYSA-N -1 1 378.462 0.465 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001571312629 946498605 /nfs/dbraw/zinc/49/86/05/946498605.db2.gz JFBKXGAWKGTHRE-DOMZBBRYSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001571312629 946498612 /nfs/dbraw/zinc/49/86/12/946498612.db2.gz JFBKXGAWKGTHRE-DOMZBBRYSA-N -1 1 392.427 0.578 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1snc(C)c1-c1nn[n-]n1)C2 ZINC001573512755 946503612 /nfs/dbraw/zinc/50/36/12/946503612.db2.gz HKJVTCBPUZLFSF-SRVKXCTJSA-N -1 1 390.473 0.241 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571312907 946505689 /nfs/dbraw/zinc/50/56/89/946505689.db2.gz LXRAKODNWMBMAF-DOMZBBRYSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571312907 946505696 /nfs/dbraw/zinc/50/56/96/946505696.db2.gz LXRAKODNWMBMAF-DOMZBBRYSA-N -1 1 392.427 0.496 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573513197 946507876 /nfs/dbraw/zinc/50/78/76/946507876.db2.gz LQCYTZGYVWSSFG-GZMMTYOYSA-N -1 1 378.462 0.241 20 0 GCADMM O=C(c1cn2c(n1)CCCC2)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571313412 946519779 /nfs/dbraw/zinc/51/97/79/946519779.db2.gz QTTQLVUMSSITOR-RYUDHWBXSA-N -1 1 392.427 0.293 20 0 GCADMM O=C(c1cn2c(n1)CCCC2)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571313412 946519784 /nfs/dbraw/zinc/51/97/84/946519784.db2.gz QTTQLVUMSSITOR-RYUDHWBXSA-N -1 1 392.427 0.293 20 0 GCADMM CN(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001571313422 946520982 /nfs/dbraw/zinc/52/09/82/946520982.db2.gz QUTNRQHWOULHAY-STQMWFEESA-N -1 1 392.427 0.221 20 0 GCADMM CN(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001571313422 946520989 /nfs/dbraw/zinc/52/09/89/946520989.db2.gz QUTNRQHWOULHAY-STQMWFEESA-N -1 1 392.427 0.221 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cnn(C2CCC2)c1 ZINC001571313453 946522429 /nfs/dbraw/zinc/52/24/29/946522429.db2.gz RNHQIHOKHAJCGR-NHAGDIPZSA-N -1 1 392.427 0.443 20 0 GCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccnc(C2CC2)n1 ZINC001571313582 946524690 /nfs/dbraw/zinc/52/46/90/946524690.db2.gz SCJJRZAFXYSOGK-UHFFFAOYSA-N -1 1 392.427 0.723 20 0 GCADMM C[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571313558 946526360 /nfs/dbraw/zinc/52/63/60/946526360.db2.gz ROQHBDHTSZGSCE-ZWNOBZJWSA-N -1 1 392.427 0.319 20 0 GCADMM O=C(c1cccc2c1COCC2)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313561 946526413 /nfs/dbraw/zinc/52/64/13/946526413.db2.gz RRLSBIRRQMUTKZ-CYBMUJFWSA-N -1 1 392.423 0.478 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313705 946529420 /nfs/dbraw/zinc/52/94/20/946529420.db2.gz VNAKHJQUEFVSKM-TZMCWYRMSA-N -1 1 392.427 0.496 20 0 GCADMM Cn1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)cc1C1CC1 ZINC001571313894 946534190 /nfs/dbraw/zinc/53/41/90/946534190.db2.gz XATNNCQLZJORGW-RYUDHWBXSA-N -1 1 392.427 0.371 20 0 GCADMM Cn1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)cc1C1CC1 ZINC001571313894 946534199 /nfs/dbraw/zinc/53/41/99/946534199.db2.gz XATNNCQLZJORGW-RYUDHWBXSA-N -1 1 392.427 0.371 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cnc(-c4nnn[n-]4)cn2)C3)cnn1 ZINC001571313851 946535503 /nfs/dbraw/zinc/53/55/03/946535503.db2.gz WKSMXIRGISQIHB-YUTCNCBUSA-N -1 1 392.427 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cnc(-c4nn[n-]n4)cn2)C3)cnn1 ZINC001571313851 946535512 /nfs/dbraw/zinc/53/55/12/946535512.db2.gz WKSMXIRGISQIHB-YUTCNCBUSA-N -1 1 392.427 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)cnn1 ZINC001571313928 946537683 /nfs/dbraw/zinc/53/76/83/946537683.db2.gz XPYPPFCNDYVXCQ-KSSFIOAISA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)cnn1 ZINC001571313928 946537696 /nfs/dbraw/zinc/53/76/96/946537696.db2.gz XPYPPFCNDYVXCQ-KSSFIOAISA-N -1 1 392.427 0.687 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ncc2n1CCCC2 ZINC001571313992 946539405 /nfs/dbraw/zinc/53/94/05/946539405.db2.gz YTVOBMQNXXVNRF-JYAVWHMHSA-N -1 1 392.427 0.054 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ncc2n1CCCC2 ZINC001571313992 946539416 /nfs/dbraw/zinc/53/94/16/946539416.db2.gz YTVOBMQNXXVNRF-JYAVWHMHSA-N -1 1 392.427 0.054 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cncnc1C1CC1 ZINC001571314005 946540392 /nfs/dbraw/zinc/54/03/92/946540392.db2.gz ZGKBOQBAWOVMBL-UMSPYCQHSA-N -1 1 392.427 0.367 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573521819 946613831 /nfs/dbraw/zinc/61/38/31/946613831.db2.gz IKZHCADFJAMSOL-VIFPVBQESA-N -1 1 392.489 0.489 20 0 GCADMM CO[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@@H]1CCOC1 ZINC001571317667 946616934 /nfs/dbraw/zinc/61/69/34/946616934.db2.gz QINHMCHHADDEAL-DOMZBBRYSA-N -1 1 392.485 0.624 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C ZINC001573522032 946620035 /nfs/dbraw/zinc/62/00/35/946620035.db2.gz WMNSYLJDIAXIRR-HTRCEHHLSA-N -1 1 384.853 0.054 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1cc(Cl)cs1 ZINC001571317769 946622132 /nfs/dbraw/zinc/62/21/32/946622132.db2.gz VATMBYJKNYDWAV-NXEZZACHSA-N -1 1 392.832 0.351 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1cc(Cl)cs1 ZINC001571317769 946622138 /nfs/dbraw/zinc/62/21/38/946622138.db2.gz VATMBYJKNYDWAV-NXEZZACHSA-N -1 1 392.832 0.351 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573522146 946623093 /nfs/dbraw/zinc/62/30/93/946623093.db2.gz BIKJNNLCHNOTDD-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573522146 946623097 /nfs/dbraw/zinc/62/30/97/946623097.db2.gz BIKJNNLCHNOTDD-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522466 946627215 /nfs/dbraw/zinc/62/72/15/946627215.db2.gz GRRUYHIIPROWRR-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573522466 946627221 /nfs/dbraw/zinc/62/72/21/946627221.db2.gz GRRUYHIIPROWRR-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573522459 946627621 /nfs/dbraw/zinc/62/76/21/946627621.db2.gz GIJWUMIWFJNZQX-CYBMUJFWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573522459 946627630 /nfs/dbraw/zinc/62/76/30/946627630.db2.gz GIJWUMIWFJNZQX-CYBMUJFWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573523109 946634595 /nfs/dbraw/zinc/63/45/95/946634595.db2.gz OENIVSDQGBQXSN-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573523109 946634602 /nfs/dbraw/zinc/63/46/02/946634602.db2.gz OENIVSDQGBQXSN-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573523163 946635291 /nfs/dbraw/zinc/63/52/91/946635291.db2.gz PAVPJVFYMAVZOL-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573523163 946635297 /nfs/dbraw/zinc/63/52/97/946635297.db2.gz PAVPJVFYMAVZOL-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573523464 946636429 /nfs/dbraw/zinc/63/64/29/946636429.db2.gz RVSMQZAZWBDSBT-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573523464 946636432 /nfs/dbraw/zinc/63/64/32/946636432.db2.gz RVSMQZAZWBDSBT-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573523705 946638206 /nfs/dbraw/zinc/63/82/06/946638206.db2.gz VZHVBTLONLFKLX-UHFFFAOYSA-N -1 1 380.478 0.664 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573524001 946640693 /nfs/dbraw/zinc/64/06/93/946640693.db2.gz ZFKXFQHHULDQCU-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573524001 946640702 /nfs/dbraw/zinc/64/07/02/946640702.db2.gz ZFKXFQHHULDQCU-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573523912 946641732 /nfs/dbraw/zinc/64/17/32/946641732.db2.gz XZMDUSZOQLEFAD-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573523912 946641737 /nfs/dbraw/zinc/64/17/37/946641737.db2.gz XZMDUSZOQLEFAD-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573528063 946655157 /nfs/dbraw/zinc/65/51/57/946655157.db2.gz RZOIDMBCPLEIOK-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573528063 946655163 /nfs/dbraw/zinc/65/51/63/946655163.db2.gz RZOIDMBCPLEIOK-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573528050 946655392 /nfs/dbraw/zinc/65/53/92/946655392.db2.gz RJWHZNOTZZPSMF-UHFFFAOYSA-N -1 1 380.478 0.346 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573528231 946658652 /nfs/dbraw/zinc/65/86/52/946658652.db2.gz ZGVITYYLTLNZIT-JTQLQIEISA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573528231 946658658 /nfs/dbraw/zinc/65/86/58/946658658.db2.gz ZGVITYYLTLNZIT-JTQLQIEISA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NCCN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@H](C)C(=O)OC(C)(C)C ZINC001573528511 946661477 /nfs/dbraw/zinc/66/14/77/946661477.db2.gz CQLOXMGDWAVNSR-SNVBAGLBSA-N -1 1 392.416 0.768 20 0 GCADMM CC(=O)NCCN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@H](C)C(=O)OC(C)(C)C ZINC001573528511 946661483 /nfs/dbraw/zinc/66/14/83/946661483.db2.gz CQLOXMGDWAVNSR-SNVBAGLBSA-N -1 1 392.416 0.768 20 0 GCADMM CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001573529075 946669345 /nfs/dbraw/zinc/66/93/45/946669345.db2.gz JEPFQAOPRRVCKI-LBPRGKRZSA-N -1 1 385.432 0.353 20 0 GCADMM CC(=O)NC[C@@H]1CN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001573529924 946680720 /nfs/dbraw/zinc/68/07/20/946680720.db2.gz PIQYWWQRBYVOST-SSDOTTSWSA-N -1 1 386.825 0.345 20 0 GCADMM CC(=O)NCCCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573530195 946689445 /nfs/dbraw/zinc/68/94/45/946689445.db2.gz WBROOVTVXQTNIM-ZDUSSCGKSA-N -1 1 387.448 0.048 20 0 GCADMM CC(=O)NCCCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573530195 946689453 /nfs/dbraw/zinc/68/94/53/946689453.db2.gz WBROOVTVXQTNIM-ZDUSSCGKSA-N -1 1 387.448 0.048 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573536704 946740250 /nfs/dbraw/zinc/74/02/50/946740250.db2.gz AOFCUIAIJHHJSD-CYBMUJFWSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573536704 946740255 /nfs/dbraw/zinc/74/02/55/946740255.db2.gz AOFCUIAIJHHJSD-CYBMUJFWSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573537330 946745765 /nfs/dbraw/zinc/74/57/65/946745765.db2.gz KBSDWPFTASTNKZ-WDBKCZKBSA-N -1 1 387.448 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573537330 946745774 /nfs/dbraw/zinc/74/57/74/946745774.db2.gz KBSDWPFTASTNKZ-WDBKCZKBSA-N -1 1 387.448 0.076 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573537634 946754480 /nfs/dbraw/zinc/75/44/80/946754480.db2.gz HWQMNTSUQNXFMW-ZDUSSCGKSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573537634 946754489 /nfs/dbraw/zinc/75/44/89/946754489.db2.gz HWQMNTSUQNXFMW-ZDUSSCGKSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573538231 946764952 /nfs/dbraw/zinc/76/49/52/946764952.db2.gz QKKLMQWUIQUECK-OLZOCXBDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573538231 946764959 /nfs/dbraw/zinc/76/49/59/946764959.db2.gz QKKLMQWUIQUECK-OLZOCXBDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573538186 946765012 /nfs/dbraw/zinc/76/50/12/946765012.db2.gz PLLCKJQKSRFCCP-AWEZNQCLSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573538186 946765018 /nfs/dbraw/zinc/76/50/18/946765018.db2.gz PLLCKJQKSRFCCP-AWEZNQCLSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573538525 946767228 /nfs/dbraw/zinc/76/72/28/946767228.db2.gz VYICIOOSLQKOIW-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573538525 946767235 /nfs/dbraw/zinc/76/72/35/946767235.db2.gz VYICIOOSLQKOIW-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573538524 946767843 /nfs/dbraw/zinc/76/78/43/946767843.db2.gz VYICIOOSLQKOIW-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573538524 946767852 /nfs/dbraw/zinc/76/78/52/946767852.db2.gz VYICIOOSLQKOIW-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573538282 946767977 /nfs/dbraw/zinc/76/79/77/946767977.db2.gz SIOYBRRKSUJTFW-OBJOEFQTSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573538282 946767985 /nfs/dbraw/zinc/76/79/85/946767985.db2.gz SIOYBRRKSUJTFW-OBJOEFQTSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573538562 946771439 /nfs/dbraw/zinc/77/14/39/946771439.db2.gz XNQCAOHGDYPUIK-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573538562 946771447 /nfs/dbraw/zinc/77/14/47/946771447.db2.gz XNQCAOHGDYPUIK-AAEUAGOBSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573538568 946771954 /nfs/dbraw/zinc/77/19/54/946771954.db2.gz XUNUPORXZARARS-FZMZJTMJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573538568 946771961 /nfs/dbraw/zinc/77/19/61/946771961.db2.gz XUNUPORXZARARS-FZMZJTMJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573540434 946776486 /nfs/dbraw/zinc/77/64/86/946776486.db2.gz DSMWAURJQXJKLM-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573540434 946776492 /nfs/dbraw/zinc/77/64/92/946776492.db2.gz DSMWAURJQXJKLM-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573540447 946776982 /nfs/dbraw/zinc/77/69/82/946776982.db2.gz DWMAWHNQEZRMHG-SMDDNHRTSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573540447 946776989 /nfs/dbraw/zinc/77/69/89/946776989.db2.gz DWMAWHNQEZRMHG-SMDDNHRTSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573540395 946777000 /nfs/dbraw/zinc/77/70/00/946777000.db2.gz CIADZMMDZXSGBD-TVQRCGJNSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573540395 946777004 /nfs/dbraw/zinc/77/70/04/946777004.db2.gz CIADZMMDZXSGBD-TVQRCGJNSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573540396 946777018 /nfs/dbraw/zinc/77/70/18/946777018.db2.gz CJGLIWMRYUHEPI-CQSZACIVSA-N -1 1 391.501 0.779 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573540562 946779327 /nfs/dbraw/zinc/77/93/27/946779327.db2.gz GBGKAJVTDJHQOW-CYBMUJFWSA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540562 946779335 /nfs/dbraw/zinc/77/93/35/946779335.db2.gz GBGKAJVTDJHQOW-CYBMUJFWSA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573540582 946779577 /nfs/dbraw/zinc/77/95/77/946779577.db2.gz GSHOARBJEWLNOH-NOZJJQNGSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540582 946779586 /nfs/dbraw/zinc/77/95/86/946779586.db2.gz GSHOARBJEWLNOH-NOZJJQNGSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(C)C ZINC001573540644 946781695 /nfs/dbraw/zinc/78/16/95/946781695.db2.gz IYSQNDNKQFIJBO-CYBMUJFWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(C)C ZINC001573540644 946781704 /nfs/dbraw/zinc/78/17/04/946781704.db2.gz IYSQNDNKQFIJBO-CYBMUJFWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573541182 946782815 /nfs/dbraw/zinc/78/28/15/946782815.db2.gz NRTRINMGKIWHHV-CYBMUJFWSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573541182 946782832 /nfs/dbraw/zinc/78/28/32/946782832.db2.gz NRTRINMGKIWHHV-CYBMUJFWSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573540985 946783177 /nfs/dbraw/zinc/78/31/77/946783177.db2.gz LYSUBGVTMWUWHY-GXFFZTMASA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540985 946783182 /nfs/dbraw/zinc/78/31/82/946783182.db2.gz LYSUBGVTMWUWHY-GXFFZTMASA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573541548 946785199 /nfs/dbraw/zinc/78/51/99/946785199.db2.gz RGOBMPYBPZATNA-QMTHXVAHSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573541548 946785210 /nfs/dbraw/zinc/78/52/10/946785210.db2.gz RGOBMPYBPZATNA-QMTHXVAHSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573541290 946785672 /nfs/dbraw/zinc/78/56/72/946785672.db2.gz PWKLTAPVXLHPQX-DGCLKSJQSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573541290 946785679 /nfs/dbraw/zinc/78/56/79/946785679.db2.gz PWKLTAPVXLHPQX-DGCLKSJQSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573541612 946788927 /nfs/dbraw/zinc/78/89/27/946788927.db2.gz TVCFDZNRPDWGQQ-IINYFYTJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541612 946788933 /nfs/dbraw/zinc/78/89/33/946788933.db2.gz TVCFDZNRPDWGQQ-IINYFYTJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573541893 946791034 /nfs/dbraw/zinc/79/10/34/946791034.db2.gz XCGJXKNKMVPVDR-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541893 946791038 /nfs/dbraw/zinc/79/10/38/946791038.db2.gz XCGJXKNKMVPVDR-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573541943 946792768 /nfs/dbraw/zinc/79/27/68/946792768.db2.gz ZDSSZGZBLBBWIZ-BXUZGUMPSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573541943 946792774 /nfs/dbraw/zinc/79/27/74/946792774.db2.gz ZDSSZGZBLBBWIZ-BXUZGUMPSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573542230 946795688 /nfs/dbraw/zinc/79/56/88/946795688.db2.gz BYSHLDXYASWXAB-MRVPVSSYSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573542230 946795698 /nfs/dbraw/zinc/79/56/98/946795698.db2.gz BYSHLDXYASWXAB-MRVPVSSYSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001573542244 946795857 /nfs/dbraw/zinc/79/58/57/946795857.db2.gz CUOGOZMHPCGOPV-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001573542244 946795862 /nfs/dbraw/zinc/79/58/62/946795862.db2.gz CUOGOZMHPCGOPV-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2nccnc2-c2nnn[n-]2)ccn1 ZINC001573542778 946799502 /nfs/dbraw/zinc/79/95/02/946799502.db2.gz OZPFHEXBRWIJCQ-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2nccnc2-c2nn[n-]n2)ccn1 ZINC001573542778 946799512 /nfs/dbraw/zinc/79/95/12/946799512.db2.gz OZPFHEXBRWIJCQ-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573542996 946801758 /nfs/dbraw/zinc/80/17/58/946801758.db2.gz SFKFBKIVDFPENR-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573542996 946801774 /nfs/dbraw/zinc/80/17/74/946801774.db2.gz SFKFBKIVDFPENR-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001573542983 946802715 /nfs/dbraw/zinc/80/27/15/946802715.db2.gz SEUXHKMYHLWEMW-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001573542983 946802730 /nfs/dbraw/zinc/80/27/30/946802730.db2.gz SEUXHKMYHLWEMW-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001573546685 946817974 /nfs/dbraw/zinc/81/79/74/946817974.db2.gz MJZQEHAIEMOGGU-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001573546685 946817987 /nfs/dbraw/zinc/81/79/87/946817987.db2.gz MJZQEHAIEMOGGU-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001573546684 946818197 /nfs/dbraw/zinc/81/81/97/946818197.db2.gz MJZQEHAIEMOGGU-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001573546684 946818207 /nfs/dbraw/zinc/81/82/07/946818207.db2.gz MJZQEHAIEMOGGU-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001573546722 946818314 /nfs/dbraw/zinc/81/83/14/946818314.db2.gz OFKKCOCMJRMAPB-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001573546722 946818325 /nfs/dbraw/zinc/81/83/25/946818325.db2.gz OFKKCOCMJRMAPB-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001573546927 946820463 /nfs/dbraw/zinc/82/04/63/946820463.db2.gz RQKARQKLIKVAPM-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NCCN(C)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001573546927 946820470 /nfs/dbraw/zinc/82/04/70/946820470.db2.gz RQKARQKLIKVAPM-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573546880 946820814 /nfs/dbraw/zinc/82/08/14/946820814.db2.gz AJXBIJQOSQLGHF-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573546880 946820824 /nfs/dbraw/zinc/82/08/24/946820824.db2.gz AJXBIJQOSQLGHF-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001573546994 946822797 /nfs/dbraw/zinc/82/27/97/946822797.db2.gz DVRUKSYUANJZTN-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001573546994 946822810 /nfs/dbraw/zinc/82/28/10/946822810.db2.gz DVRUKSYUANJZTN-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)nc1 ZINC001573547313 946832631 /nfs/dbraw/zinc/83/26/31/946832631.db2.gz JQHGIAICTWVRSB-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)nc1 ZINC001573547313 946832647 /nfs/dbraw/zinc/83/26/47/946832647.db2.gz JQHGIAICTWVRSB-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)nc1 ZINC001573547950 946844065 /nfs/dbraw/zinc/84/40/65/946844065.db2.gz YYYQXKVOFGKXBB-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)nc1 ZINC001573547950 946844075 /nfs/dbraw/zinc/84/40/75/946844075.db2.gz YYYQXKVOFGKXBB-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM C[C@H](c1cccc(F)c1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000824770278 946929435 /nfs/dbraw/zinc/92/94/35/946929435.db2.gz HWSRTXVQKMCEJG-GFCCVEGCSA-N -1 1 385.407 0.503 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCCOCC1 ZINC000825000800 947037649 /nfs/dbraw/zinc/03/76/49/947037649.db2.gz VINZIYRHJBWTHU-CHWSQXEVSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCCOCC1 ZINC000825000800 947037660 /nfs/dbraw/zinc/03/76/60/947037660.db2.gz VINZIYRHJBWTHU-CHWSQXEVSA-N -1 1 387.448 0.446 20 0 GCADMM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825067783 947064644 /nfs/dbraw/zinc/06/46/44/947064644.db2.gz MYBMDXLIOPQPFX-KWQFWETISA-N -1 1 379.446 0.522 20 0 GCADMM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825067783 947064656 /nfs/dbraw/zinc/06/46/56/947064656.db2.gz MYBMDXLIOPQPFX-KWQFWETISA-N -1 1 379.446 0.522 20 0 GCADMM CCN(CC)C(=O)CCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000825399278 947173398 /nfs/dbraw/zinc/17/33/98/947173398.db2.gz OEHFSQDDTJOWRD-UHFFFAOYSA-N -1 1 389.464 0.345 20 0 GCADMM CCOC(=O)Cc1csc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC000825518067 947210524 /nfs/dbraw/zinc/21/05/24/947210524.db2.gz SEDZVZCKQGTYKU-UHFFFAOYSA-N -1 1 377.386 0.906 20 0 GCADMM CCOC(=O)Cc1csc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC000825518067 947210530 /nfs/dbraw/zinc/21/05/30/947210530.db2.gz SEDZVZCKQGTYKU-UHFFFAOYSA-N -1 1 377.386 0.906 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NCCOc2ccccc2)c1-c1nn[n-]n1 ZINC000825564886 947222741 /nfs/dbraw/zinc/22/27/41/947222741.db2.gz HTYQTABBEPDKEF-UHFFFAOYSA-N -1 1 385.384 0.435 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NC(=O)NC2CCCCC2)c1-c1nn[n-]n1 ZINC000825565013 947223133 /nfs/dbraw/zinc/22/31/33/947223133.db2.gz JYUYWGITQHAKQH-UHFFFAOYSA-N -1 1 390.404 0.398 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000825565324 947223625 /nfs/dbraw/zinc/22/36/25/947223625.db2.gz RDTSCRVQVUNMBX-CHWSQXEVSA-N -1 1 389.416 0.410 20 0 GCADMM CCOC(=O)c1cnn(CCn2cnc3ccccc3c2=O)c1-c1nn[n-]n1 ZINC000825571039 947233660 /nfs/dbraw/zinc/23/36/60/947233660.db2.gz TZEYXBGQQVVUPU-UHFFFAOYSA-N -1 1 380.368 0.650 20 0 GCADMM CCOC(=O)c1cnn(CCCN2C(=O)c3ccccc3C2=O)c1-c1nn[n-]n1 ZINC000825570955 947234600 /nfs/dbraw/zinc/23/46/00/947234600.db2.gz OYNOSJDVJUXHJI-UHFFFAOYSA-N -1 1 395.379 0.926 20 0 GCADMM CCc1cc(N2CCC[C@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)ncn1 ZINC000825700509 947291820 /nfs/dbraw/zinc/29/18/20/947291820.db2.gz IIKZQBAXZTYADH-ZDUSSCGKSA-N -1 1 397.443 0.843 20 0 GCADMM CCc1cc(N2CCC[C@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)ncn1 ZINC000825700509 947291830 /nfs/dbraw/zinc/29/18/30/947291830.db2.gz IIKZQBAXZTYADH-ZDUSSCGKSA-N -1 1 397.443 0.843 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573591757 947319356 /nfs/dbraw/zinc/31/93/56/947319356.db2.gz FGXVPIQYWNTREX-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573591757 947319370 /nfs/dbraw/zinc/31/93/70/947319370.db2.gz FGXVPIQYWNTREX-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573591754 947320600 /nfs/dbraw/zinc/32/06/00/947320600.db2.gz FFJVXFOTVSTMSU-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573591754 947320613 /nfs/dbraw/zinc/32/06/13/947320613.db2.gz FFJVXFOTVSTMSU-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573591857 947322924 /nfs/dbraw/zinc/32/29/24/947322924.db2.gz GTQGHWHLODLNRB-TZMCWYRMSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573592517 947339780 /nfs/dbraw/zinc/33/97/80/947339780.db2.gz DDSSEVLDDLYFTP-PKSQDBQZSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573592517 947339794 /nfs/dbraw/zinc/33/97/94/947339794.db2.gz DDSSEVLDDLYFTP-PKSQDBQZSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001573592584 947341807 /nfs/dbraw/zinc/34/18/07/947341807.db2.gz KQPYMPRBBKIOCL-OCCSQVGLSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001573592584 947341821 /nfs/dbraw/zinc/34/18/21/947341821.db2.gz KQPYMPRBBKIOCL-OCCSQVGLSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001573592583 947342143 /nfs/dbraw/zinc/34/21/43/947342143.db2.gz KQPYMPRBBKIOCL-JSGCOSHPSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001573592583 947342158 /nfs/dbraw/zinc/34/21/58/947342158.db2.gz KQPYMPRBBKIOCL-JSGCOSHPSA-N -1 1 386.460 0.899 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(OCCn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000825875798 947354625 /nfs/dbraw/zinc/35/46/25/947354625.db2.gz YGPBXZXAKPDKNJ-UHFFFAOYSA-N -1 1 390.425 0.358 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592967 947357667 /nfs/dbraw/zinc/35/76/67/947357667.db2.gz OUBFRZVDMFIULZ-NWDGAFQWSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592967 947357681 /nfs/dbraw/zinc/35/76/81/947357681.db2.gz OUBFRZVDMFIULZ-NWDGAFQWSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573593509 947370537 /nfs/dbraw/zinc/37/05/37/947370537.db2.gz UINLEIPBASBGFN-NWDGAFQWSA-N -1 1 376.465 0.594 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(-c2ccncc2)on1 ZINC000825933475 947375042 /nfs/dbraw/zinc/37/50/42/947375042.db2.gz FLIZYDCLTMWQMD-UHFFFAOYSA-N -1 1 394.399 0.927 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-c2ccncc2)on1 ZINC000825933475 947375054 /nfs/dbraw/zinc/37/50/54/947375054.db2.gz FLIZYDCLTMWQMD-UHFFFAOYSA-N -1 1 394.399 0.927 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573593702 947376575 /nfs/dbraw/zinc/37/65/75/947376575.db2.gz UXIGYHBSROLJNB-ZJUUUORDSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573593755 947378416 /nfs/dbraw/zinc/37/84/16/947378416.db2.gz VMRWKAQUIGVHBS-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573593755 947378429 /nfs/dbraw/zinc/37/84/29/947378429.db2.gz VMRWKAQUIGVHBS-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccnc(N2CCCC2)n1 ZINC000825935150 947379129 /nfs/dbraw/zinc/37/91/29/947379129.db2.gz VUOANKHUJZVEIA-UHFFFAOYSA-N -1 1 397.447 0.267 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccnc(N2CCCC2)n1 ZINC000825935150 947379140 /nfs/dbraw/zinc/37/91/40/947379140.db2.gz VUOANKHUJZVEIA-UHFFFAOYSA-N -1 1 397.447 0.267 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573593797 947381674 /nfs/dbraw/zinc/38/16/74/947381674.db2.gz VVMMCTIUXIKFIF-JSGCOSHPSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573593797 947381690 /nfs/dbraw/zinc/38/16/90/947381690.db2.gz VVMMCTIUXIKFIF-JSGCOSHPSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cncn1 ZINC001573594221 947389949 /nfs/dbraw/zinc/38/99/49/947389949.db2.gz PACOTTZXTKGFIK-GWCFXTLKSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573594221 947389957 /nfs/dbraw/zinc/38/99/57/947389957.db2.gz PACOTTZXTKGFIK-GWCFXTLKSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573594204 947390457 /nfs/dbraw/zinc/39/04/57/947390457.db2.gz OQIWDGHXVGFNPW-SCZZXKLOSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573595190 947417611 /nfs/dbraw/zinc/41/76/11/947417611.db2.gz GEDVSFPAHLUDSK-VHSXEESVSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573595190 947417613 /nfs/dbraw/zinc/41/76/13/947417613.db2.gz GEDVSFPAHLUDSK-VHSXEESVSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573595186 947417625 /nfs/dbraw/zinc/41/76/25/947417625.db2.gz GEDVSFPAHLUDSK-NXEZZACHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573595186 947417628 /nfs/dbraw/zinc/41/76/28/947417628.db2.gz GEDVSFPAHLUDSK-NXEZZACHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573598315 947442556 /nfs/dbraw/zinc/44/25/56/947442556.db2.gz QAKZFZCNSVUFCV-WDEREUQCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573598315 947442564 /nfs/dbraw/zinc/44/25/64/947442564.db2.gz QAKZFZCNSVUFCV-WDEREUQCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573599409 947455611 /nfs/dbraw/zinc/45/56/11/947455611.db2.gz XUXLOPJZLQAVER-AAEUAGOBSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573599409 947455615 /nfs/dbraw/zinc/45/56/15/947455615.db2.gz XUXLOPJZLQAVER-AAEUAGOBSA-N -1 1 383.416 0.087 20 0 GCADMM COCC1(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CC1 ZINC000826152711 947484016 /nfs/dbraw/zinc/48/40/16/947484016.db2.gz KQHRBYPAQMGGOD-UHFFFAOYSA-N -1 1 397.395 0.961 20 0 GCADMM COCC1(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000826152711 947484022 /nfs/dbraw/zinc/48/40/22/947484022.db2.gz KQHRBYPAQMGGOD-UHFFFAOYSA-N -1 1 397.395 0.961 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573605073 947523327 /nfs/dbraw/zinc/52/33/27/947523327.db2.gz USRMHGFNWFOSMQ-LBPRGKRZSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573605073 947523334 /nfs/dbraw/zinc/52/33/34/947523334.db2.gz USRMHGFNWFOSMQ-LBPRGKRZSA-N -1 1 383.416 0.088 20 0 GCADMM C[C@H]([C@H](C)C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573607518 947548664 /nfs/dbraw/zinc/54/86/64/947548664.db2.gz OHSIQLHMAYAEKR-QWHCGFSZSA-N -1 1 390.492 0.630 20 0 GCADMM COc1cc(C)nc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)n1 ZINC000826178866 947553179 /nfs/dbraw/zinc/55/31/79/947553179.db2.gz PHDPKZBQXAWEHA-UHFFFAOYSA-N -1 1 399.415 0.161 20 0 GCADMM COc1cc(C)nc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)n1 ZINC000826178866 947553187 /nfs/dbraw/zinc/55/31/87/947553187.db2.gz PHDPKZBQXAWEHA-UHFFFAOYSA-N -1 1 399.415 0.161 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573613756 947571344 /nfs/dbraw/zinc/57/13/44/947571344.db2.gz HXOXRMGSRMUBBS-UGSOOPFHSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573613754 947571955 /nfs/dbraw/zinc/57/19/55/947571955.db2.gz HXOXRMGSRMUBBS-FZKQIMNGSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573613895 947574398 /nfs/dbraw/zinc/57/43/98/947574398.db2.gz BJHMXOQPVVLDFB-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573613895 947574406 /nfs/dbraw/zinc/57/44/06/947574406.db2.gz BJHMXOQPVVLDFB-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573614227 947580302 /nfs/dbraw/zinc/58/03/02/947580302.db2.gz DHICRRPJXKBVEX-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573614227 947580307 /nfs/dbraw/zinc/58/03/07/947580307.db2.gz DHICRRPJXKBVEX-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573614434 947585053 /nfs/dbraw/zinc/58/50/53/947585053.db2.gz FDGKJXPMBLUIMT-NSHDSACASA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573614434 947585062 /nfs/dbraw/zinc/58/50/62/947585062.db2.gz FDGKJXPMBLUIMT-NSHDSACASA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573615189 947600741 /nfs/dbraw/zinc/60/07/41/947600741.db2.gz IWCXBWPUXBBEOZ-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573615189 947600745 /nfs/dbraw/zinc/60/07/45/947600745.db2.gz IWCXBWPUXBBEOZ-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573350755 947603584 /nfs/dbraw/zinc/60/35/84/947603584.db2.gz FYBCCWWESPUSCE-AWEZNQCLSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573350755 947603597 /nfs/dbraw/zinc/60/35/97/947603597.db2.gz FYBCCWWESPUSCE-AWEZNQCLSA-N -1 1 380.412 0.845 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cccn1 ZINC001573616425 947621814 /nfs/dbraw/zinc/62/18/14/947621814.db2.gz WGBLMNUKSISEDP-AAEUAGOBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cccn1 ZINC001573616425 947621816 /nfs/dbraw/zinc/62/18/16/947621816.db2.gz WGBLMNUKSISEDP-AAEUAGOBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cncn1 ZINC001573616860 947629231 /nfs/dbraw/zinc/62/92/31/947629231.db2.gz YWEYNXXLKACZRR-PWSUYJOCSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cncn1 ZINC001573616860 947629240 /nfs/dbraw/zinc/62/92/40/947629240.db2.gz YWEYNXXLKACZRR-PWSUYJOCSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573616981 947631433 /nfs/dbraw/zinc/63/14/33/947631433.db2.gz KJWGPZBUYIIXHJ-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573616981 947631438 /nfs/dbraw/zinc/63/14/38/947631438.db2.gz KJWGPZBUYIIXHJ-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573354681 947637041 /nfs/dbraw/zinc/63/70/41/947637041.db2.gz HABOPUNQIGBAED-IBGZPJMESA-N -1 1 392.423 0.671 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573617493 947637481 /nfs/dbraw/zinc/63/74/81/947637481.db2.gz LUDWVZNWSFXNBE-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573617493 947637485 /nfs/dbraw/zinc/63/74/85/947637485.db2.gz LUDWVZNWSFXNBE-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573617980 947646632 /nfs/dbraw/zinc/64/66/32/947646632.db2.gz OBNZIYNNMNIWMO-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573618724 947653092 /nfs/dbraw/zinc/65/30/92/947653092.db2.gz RLXYTECPEACSRO-LBPRGKRZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573618724 947653096 /nfs/dbraw/zinc/65/30/96/947653096.db2.gz RLXYTECPEACSRO-LBPRGKRZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573619187 947660782 /nfs/dbraw/zinc/66/07/82/947660782.db2.gz URQNHZRYGBIFGB-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2O)cc1 ZINC001573359456 947684898 /nfs/dbraw/zinc/68/48/98/947684898.db2.gz UQNJFEOGEKTYOG-HZPDHXFCSA-N -1 1 392.423 0.588 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2O)cc1 ZINC001573359456 947684907 /nfs/dbraw/zinc/68/49/07/947684907.db2.gz UQNJFEOGEKTYOG-HZPDHXFCSA-N -1 1 392.423 0.588 20 0 GCADMM C[C@@H](C(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2)C1CC1 ZINC001573623429 947688647 /nfs/dbraw/zinc/68/86/47/947688647.db2.gz FSPFCIZZKFTWEO-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2)C1CC1 ZINC001573623679 947690896 /nfs/dbraw/zinc/69/08/96/947690896.db2.gz HOYFCXWWXGKOON-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2)C1CC1 ZINC001573623679 947690901 /nfs/dbraw/zinc/69/09/01/947690901.db2.gz HOYFCXWWXGKOON-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2)C1CC1 ZINC001573626611 947713173 /nfs/dbraw/zinc/71/31/73/947713173.db2.gz WJSMWKQNFBQSFE-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2)C1CC1 ZINC001573626611 947713182 /nfs/dbraw/zinc/71/31/82/947713182.db2.gz WJSMWKQNFBQSFE-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](C(=O)N1CCC(O)(Cc2ccccn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573627188 947719246 /nfs/dbraw/zinc/71/92/46/947719246.db2.gz ZZIZYJKMTVPAJS-GFCCVEGCSA-N -1 1 383.416 0.010 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573627521 947726361 /nfs/dbraw/zinc/72/63/61/947726361.db2.gz CYDIQSICOONENC-OLZOCXBDSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573627790 947733532 /nfs/dbraw/zinc/73/35/32/947733532.db2.gz CKYMTGWGNFOOIJ-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573627790 947733539 /nfs/dbraw/zinc/73/35/39/947733539.db2.gz CKYMTGWGNFOOIJ-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573628034 947743203 /nfs/dbraw/zinc/74/32/03/947743203.db2.gz HLNRNSYMOLDCSL-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573628034 947743212 /nfs/dbraw/zinc/74/32/12/947743212.db2.gz HLNRNSYMOLDCSL-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573628112 947745927 /nfs/dbraw/zinc/74/59/27/947745927.db2.gz ISPARCWXWYVXIB-OCCSQVGLSA-N -1 1 379.428 0.680 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573628146 947746209 /nfs/dbraw/zinc/74/62/09/947746209.db2.gz FPVPPQCMHZPGTI-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573628146 947746217 /nfs/dbraw/zinc/74/62/17/947746217.db2.gz FPVPPQCMHZPGTI-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573628212 947748600 /nfs/dbraw/zinc/74/86/00/947748600.db2.gz GKQTYHUOSAHBIB-SGTLLEGYSA-N -1 1 388.476 0.526 20 0 GCADMM Cc1cc(C)nc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000826265992 947767941 /nfs/dbraw/zinc/76/79/41/947767941.db2.gz XRIXKCYJXWRMKW-UHFFFAOYSA-N -1 1 383.420 0.361 20 0 GCADMM Cc1cc(C)nc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000826265992 947767949 /nfs/dbraw/zinc/76/79/49/947767949.db2.gz XRIXKCYJXWRMKW-UHFFFAOYSA-N -1 1 383.420 0.361 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573368769 947768598 /nfs/dbraw/zinc/76/85/98/947768598.db2.gz OXLOUDUKQGSPFB-JSGCOSHPSA-N -1 1 386.460 0.734 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628973 947769742 /nfs/dbraw/zinc/76/97/42/947769742.db2.gz PQXDAGBPFFCOII-VXGBXAGGSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628973 947769746 /nfs/dbraw/zinc/76/97/46/947769746.db2.gz PQXDAGBPFFCOII-VXGBXAGGSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573629324 947777698 /nfs/dbraw/zinc/77/76/98/947777698.db2.gz OGUFHQWQNJOGAU-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573629324 947777702 /nfs/dbraw/zinc/77/77/02/947777702.db2.gz OGUFHQWQNJOGAU-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573629660 947781058 /nfs/dbraw/zinc/78/10/58/947781058.db2.gz OWNNCOQGJGUOOQ-JSGCOSHPSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573629660 947781066 /nfs/dbraw/zinc/78/10/66/947781066.db2.gz OWNNCOQGJGUOOQ-JSGCOSHPSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573630051 947786369 /nfs/dbraw/zinc/78/63/69/947786369.db2.gz QFVFEBRYKHMXTJ-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573630051 947786374 /nfs/dbraw/zinc/78/63/74/947786374.db2.gz QFVFEBRYKHMXTJ-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573373484 947794208 /nfs/dbraw/zinc/79/42/08/947794208.db2.gz JKCATGPLTUSLRZ-KBPBESRZSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573630743 947795356 /nfs/dbraw/zinc/79/53/56/947795356.db2.gz RWINQPHURJENLD-DGCLKSJQSA-N -1 1 382.432 0.019 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573631205 947798817 /nfs/dbraw/zinc/79/88/17/947798817.db2.gz ULQOWGILWWJYQP-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573631205 947798827 /nfs/dbraw/zinc/79/88/27/947798827.db2.gz ULQOWGILWWJYQP-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccnc1 ZINC001573637568 947817475 /nfs/dbraw/zinc/81/74/75/947817475.db2.gz JFJDZAVPCFRNMX-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC001573637568 947817482 /nfs/dbraw/zinc/81/74/82/947817482.db2.gz JFJDZAVPCFRNMX-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573376705 947840532 /nfs/dbraw/zinc/84/05/32/947840532.db2.gz CRQPXAOJCFETPR-UONOGXRCSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573376705 947840538 /nfs/dbraw/zinc/84/05/38/947840538.db2.gz CRQPXAOJCFETPR-UONOGXRCSA-N -1 1 384.444 0.843 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1-c1nnn[n-]1 ZINC000826289866 947842208 /nfs/dbraw/zinc/84/22/08/947842208.db2.gz PTQLVDVPJUSAEC-CYBMUJFWSA-N -1 1 381.396 0.936 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1-c1nn[n-]n1 ZINC000826289866 947842216 /nfs/dbraw/zinc/84/22/16/947842216.db2.gz PTQLVDVPJUSAEC-CYBMUJFWSA-N -1 1 381.396 0.936 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573638884 947844961 /nfs/dbraw/zinc/84/49/61/947844961.db2.gz XPHOEFWLGBMTLC-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573638884 947844969 /nfs/dbraw/zinc/84/49/69/947844969.db2.gz XPHOEFWLGBMTLC-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573377134 947849158 /nfs/dbraw/zinc/84/91/58/947849158.db2.gz JFQZMZNFENBANK-DZGCQCFKSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573377134 947849165 /nfs/dbraw/zinc/84/91/65/947849165.db2.gz JFQZMZNFENBANK-DZGCQCFKSA-N -1 1 384.444 0.843 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccn1 ZINC001573640881 947854427 /nfs/dbraw/zinc/85/44/27/947854427.db2.gz JPXDNDJELBRMGN-OLZOCXBDSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccn1 ZINC001573640881 947854432 /nfs/dbraw/zinc/85/44/32/947854432.db2.gz JPXDNDJELBRMGN-OLZOCXBDSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573641229 947857124 /nfs/dbraw/zinc/85/71/24/947857124.db2.gz LONQEWUPUKVWLQ-QWHCGFSZSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573641229 947857134 /nfs/dbraw/zinc/85/71/34/947857134.db2.gz LONQEWUPUKVWLQ-QWHCGFSZSA-N -1 1 383.416 0.359 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](O)COc2c(C)cccc2C)c1-c1nnn[n-]1 ZINC000826296874 947857644 /nfs/dbraw/zinc/85/76/44/947857644.db2.gz MXMVKJCSOJRDCR-ZDUSSCGKSA-N -1 1 386.412 0.879 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](O)COc2c(C)cccc2C)c1-c1nn[n-]n1 ZINC000826296874 947857651 /nfs/dbraw/zinc/85/76/51/947857651.db2.gz MXMVKJCSOJRDCR-ZDUSSCGKSA-N -1 1 386.412 0.879 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573642202 947859975 /nfs/dbraw/zinc/85/99/75/947859975.db2.gz OLWJGSWCVWXZON-NWDGAFQWSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573642202 947859985 /nfs/dbraw/zinc/85/99/85/947859985.db2.gz OLWJGSWCVWXZON-NWDGAFQWSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573643721 947867044 /nfs/dbraw/zinc/86/70/44/947867044.db2.gz WVSLZJPAQBGDCW-STQMWFEESA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573643721 947867047 /nfs/dbraw/zinc/86/70/47/947867047.db2.gz WVSLZJPAQBGDCW-STQMWFEESA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573643733 947868154 /nfs/dbraw/zinc/86/81/54/947868154.db2.gz XBRJZDGCLYBOBW-VHSXEESVSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573643733 947868162 /nfs/dbraw/zinc/86/81/62/947868162.db2.gz XBRJZDGCLYBOBW-VHSXEESVSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cccnc1 ZINC001573645833 947871270 /nfs/dbraw/zinc/87/12/70/947871270.db2.gz BSCCFTAFCOFZLB-IVMMDQJWSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cccnc1 ZINC001573645833 947871277 /nfs/dbraw/zinc/87/12/77/947871277.db2.gz BSCCFTAFCOFZLB-IVMMDQJWSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001573645972 947871931 /nfs/dbraw/zinc/87/19/31/947871931.db2.gz FKNCYUUWHTZOSZ-LPEHRKFASA-N -1 1 382.350 0.892 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(F)(F)F ZINC001573646225 947874092 /nfs/dbraw/zinc/87/40/92/947874092.db2.gz HXZJMOSBFHMDHS-LPEHRKFASA-N -1 1 382.350 0.892 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(F)(F)F ZINC001573646225 947874101 /nfs/dbraw/zinc/87/41/01/947874101.db2.gz HXZJMOSBFHMDHS-LPEHRKFASA-N -1 1 382.350 0.892 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1cccnc1 ZINC001573647031 947881658 /nfs/dbraw/zinc/88/16/58/947881658.db2.gz APUBSZNZUDXVBG-AEGPPILISA-N -1 1 391.439 0.750 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1cccnc1 ZINC001573647031 947881665 /nfs/dbraw/zinc/88/16/65/947881665.db2.gz APUBSZNZUDXVBG-AEGPPILISA-N -1 1 391.439 0.750 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647285 947888831 /nfs/dbraw/zinc/88/88/31/947888831.db2.gz GZRYKWCYWWIXAF-XPCVCDNBSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647285 947888835 /nfs/dbraw/zinc/88/88/35/947888835.db2.gz GZRYKWCYWWIXAF-XPCVCDNBSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573647543 947895898 /nfs/dbraw/zinc/89/58/98/947895898.db2.gz OGJBDUSCNBEKOP-UHIISALHSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573647543 947895909 /nfs/dbraw/zinc/89/59/09/947895909.db2.gz OGJBDUSCNBEKOP-UHIISALHSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573647604 947898409 /nfs/dbraw/zinc/89/84/09/947898409.db2.gz PZIYWGAJGCQYCB-FRRDWIJNSA-N -1 1 397.447 0.406 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573647604 947898415 /nfs/dbraw/zinc/89/84/15/947898415.db2.gz PZIYWGAJGCQYCB-FRRDWIJNSA-N -1 1 397.447 0.406 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1ccco1 ZINC001573648190 947906561 /nfs/dbraw/zinc/90/65/61/947906561.db2.gz XRAVQPCNVBXBCF-UPJWGTAASA-N -1 1 380.412 0.948 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573384571 947906605 /nfs/dbraw/zinc/90/66/05/947906605.db2.gz RDIWZYXGCQDONA-NFAWXSAZSA-N -1 1 384.444 0.950 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573384571 947906613 /nfs/dbraw/zinc/90/66/13/947906613.db2.gz RDIWZYXGCQDONA-NFAWXSAZSA-N -1 1 384.444 0.950 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573387891 947913052 /nfs/dbraw/zinc/91/30/52/947913052.db2.gz FXOIURLPYZGJED-SSDOTTSWSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573387891 947913060 /nfs/dbraw/zinc/91/30/60/947913060.db2.gz FXOIURLPYZGJED-SSDOTTSWSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573388270 947916303 /nfs/dbraw/zinc/91/63/03/947916303.db2.gz JXAFITGPILHCKV-UHFFFAOYSA-N -1 1 389.464 0.340 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573388270 947916311 /nfs/dbraw/zinc/91/63/11/947916311.db2.gz JXAFITGPILHCKV-UHFFFAOYSA-N -1 1 389.464 0.340 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573388254 947916397 /nfs/dbraw/zinc/91/63/97/947916397.db2.gz JUWCQVQOISVCBC-CYBMUJFWSA-N -1 1 389.464 0.420 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573388254 947916400 /nfs/dbraw/zinc/91/64/00/947916400.db2.gz JUWCQVQOISVCBC-CYBMUJFWSA-N -1 1 389.464 0.420 20 0 GCADMM C[C@@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573651192 947918296 /nfs/dbraw/zinc/91/82/96/947918296.db2.gz JRTFOOIDRGJZIV-OUAUKWLOSA-N -1 1 376.421 0.740 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573388348 947919412 /nfs/dbraw/zinc/91/94/12/947919412.db2.gz LFQBWVJVLYJNDS-CQSZACIVSA-N -1 1 389.435 0.517 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573389516 947923938 /nfs/dbraw/zinc/92/39/38/947923938.db2.gz RYBXWFPFXQCDOJ-CYBMUJFWSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573389516 947923947 /nfs/dbraw/zinc/92/39/47/947923947.db2.gz RYBXWFPFXQCDOJ-CYBMUJFWSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573390108 947927554 /nfs/dbraw/zinc/92/75/54/947927554.db2.gz WJLFJRSJLKXINU-UHFFFAOYSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573390108 947927564 /nfs/dbraw/zinc/92/75/64/947927564.db2.gz WJLFJRSJLKXINU-UHFFFAOYSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573390655 947930217 /nfs/dbraw/zinc/93/02/17/947930217.db2.gz ZTGBBJDVXDGYNK-ZETCQYMHSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573390655 947930226 /nfs/dbraw/zinc/93/02/26/947930226.db2.gz ZTGBBJDVXDGYNK-ZETCQYMHSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573391750 947935894 /nfs/dbraw/zinc/93/58/94/947935894.db2.gz JDGSTCXYUXIRLS-GFCCVEGCSA-N -1 1 392.489 0.537 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001573391445 947936905 /nfs/dbraw/zinc/93/69/05/947936905.db2.gz IKZFLYBEAMAXMG-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001573391445 947936913 /nfs/dbraw/zinc/93/69/13/947936913.db2.gz IKZFLYBEAMAXMG-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573652574 947942215 /nfs/dbraw/zinc/94/22/15/947942215.db2.gz DUMZCLBUAZENMA-KPZWWZAWSA-N -1 1 381.444 0.838 20 0 GCADMM Cc1nc(-c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2Cl)n[nH]1 ZINC000826322738 947942680 /nfs/dbraw/zinc/94/26/80/947942680.db2.gz ZYGZKXPGUWGUKM-UHFFFAOYSA-N -1 1 385.779 0.844 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573392122 947942926 /nfs/dbraw/zinc/94/29/26/947942926.db2.gz STYVWKBBRKQEHN-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573392122 947942936 /nfs/dbraw/zinc/94/29/36/947942936.db2.gz STYVWKBBRKQEHN-ZDUSSCGKSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573392191 947944239 /nfs/dbraw/zinc/94/42/39/947944239.db2.gz VZFREGVWUMIQFK-SMDDNHRTSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573392191 947944245 /nfs/dbraw/zinc/94/42/45/947944245.db2.gz VZFREGVWUMIQFK-SMDDNHRTSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573392684 947949941 /nfs/dbraw/zinc/94/99/41/947949941.db2.gz FAPHUCSWWMOFNC-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573392684 947949950 /nfs/dbraw/zinc/94/99/50/947949950.db2.gz FAPHUCSWWMOFNC-AAEUAGOBSA-N -1 1 387.448 0.032 20 0 GCADMM Cc1nc(CN(C)CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)no1 ZINC000826325900 947951680 /nfs/dbraw/zinc/95/16/80/947951680.db2.gz PYPNKSFEZRSAOO-UHFFFAOYSA-N -1 1 394.399 0.814 20 0 GCADMM Cc1nc(CN(C)CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)no1 ZINC000826325900 947951687 /nfs/dbraw/zinc/95/16/87/947951687.db2.gz PYPNKSFEZRSAOO-UHFFFAOYSA-N 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CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573392885 947953532 /nfs/dbraw/zinc/95/35/32/947953532.db2.gz HKWPWDHRJMYYQF-RISCZKNCSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cnn(C)c1 ZINC001573653294 947956100 /nfs/dbraw/zinc/95/61/00/947956100.db2.gz KKHFYQVCNUPKDF-QMTHXVAHSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cnn(C)c1 ZINC001573653294 947956105 /nfs/dbraw/zinc/95/61/05/947956105.db2.gz KKHFYQVCNUPKDF-QMTHXVAHSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cncn1 ZINC001573653966 947961265 /nfs/dbraw/zinc/96/12/65/947961265.db2.gz OWLFWDOCJHJTOJ-CMPLNLGQSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cncn1 ZINC001573653966 947961268 /nfs/dbraw/zinc/96/12/68/947961268.db2.gz OWLFWDOCJHJTOJ-CMPLNLGQSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573394402 947965068 /nfs/dbraw/zinc/96/50/68/947965068.db2.gz SXTFNBKGUGMQEU-MWLCHTKSSA-N -1 1 378.462 0.511 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573654653 947967672 /nfs/dbraw/zinc/96/76/72/947967672.db2.gz SESGCTKQBQYEIO-CLAHSXSESA-N -1 1 384.366 0.974 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573395102 947968170 /nfs/dbraw/zinc/96/81/70/947968170.db2.gz XBKDGZZMPJPMRN-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573395102 947968178 /nfs/dbraw/zinc/96/81/78/947968178.db2.gz XBKDGZZMPJPMRN-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)n1cncn1 ZINC001573654650 947968198 /nfs/dbraw/zinc/96/81/98/947968198.db2.gz SDLBRQHHHZXJOE-JQWIXIFHSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)n1cncn1 ZINC001573654650 947968207 /nfs/dbraw/zinc/96/82/07/947968207.db2.gz SDLBRQHHHZXJOE-JQWIXIFHSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573395555 947971213 /nfs/dbraw/zinc/97/12/13/947971213.db2.gz ZEWSRNLNLKCXRP-GWCFXTLKSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573395555 947971220 /nfs/dbraw/zinc/97/12/20/947971220.db2.gz ZEWSRNLNLKCXRP-GWCFXTLKSA-N -1 1 387.448 0.092 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573655401 947976696 /nfs/dbraw/zinc/97/66/96/947976696.db2.gz XEPLMPMFCOTYCW-APPDUMDISA-N -1 1 382.432 0.233 20 0 GCADMM Cc1nsc(N2CCCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)n1 ZINC000826340047 947976878 /nfs/dbraw/zinc/97/68/78/947976878.db2.gz FVEQXAGLTKALDK-UHFFFAOYSA-N -1 1 389.445 0.604 20 0 GCADMM Cc1nsc(N2CCCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)n1 ZINC000826340047 947976883 /nfs/dbraw/zinc/97/68/83/947976883.db2.gz FVEQXAGLTKALDK-UHFFFAOYSA-N -1 1 389.445 0.604 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573398331 947980448 /nfs/dbraw/zinc/98/04/48/947980448.db2.gz JOZALNDIXJPOMO-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573398331 947980452 /nfs/dbraw/zinc/98/04/52/947980452.db2.gz JOZALNDIXJPOMO-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cncn1 ZINC001573655796 947981280 /nfs/dbraw/zinc/98/12/80/947981280.db2.gz YXMMAKUPHMDQMZ-ZYHUDNBSSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cncn1 ZINC001573655796 947981285 /nfs/dbraw/zinc/98/12/85/947981285.db2.gz YXMMAKUPHMDQMZ-ZYHUDNBSSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573398512 947981966 /nfs/dbraw/zinc/98/19/66/947981966.db2.gz LYTCTXUXJVDSOX-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573398512 947981978 /nfs/dbraw/zinc/98/19/78/947981978.db2.gz LYTCTXUXJVDSOX-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)NC1(CNc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573398481 947982760 /nfs/dbraw/zinc/98/27/60/947982760.db2.gz LMXLFJYUCUNGMW-UHFFFAOYSA-N -1 1 392.489 0.951 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573398895 947986649 /nfs/dbraw/zinc/98/66/49/947986649.db2.gz QCZWWJUDBHCMIV-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573398895 947986655 /nfs/dbraw/zinc/98/66/55/947986655.db2.gz QCZWWJUDBHCMIV-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573399035 947987856 /nfs/dbraw/zinc/98/78/56/947987856.db2.gz SGTLVWUIDLDPAL-AWEZNQCLSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573399035 947987863 /nfs/dbraw/zinc/98/78/63/947987863.db2.gz SGTLVWUIDLDPAL-AWEZNQCLSA-N -1 1 387.448 0.222 20 0 GCADMM Cc1onc(CC(=O)N(C)C[C@@H]2CCCN2c2cccnn2)c1-c1nnn[n-]1 ZINC000826343216 947988035 /nfs/dbraw/zinc/98/80/35/947988035.db2.gz QZSJCQKOFIERMD-LBPRGKRZSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1onc(CC(=O)N(C)C[C@@H]2CCCN2c2cccnn2)c1-c1nn[n-]n1 ZINC000826343216 947988041 /nfs/dbraw/zinc/98/80/41/947988041.db2.gz QZSJCQKOFIERMD-LBPRGKRZSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1onc(CC(=O)N(C)CC(=O)N(C)C2CCCCC2)c1-c1nnn[n-]1 ZINC000826343148 947988211 /nfs/dbraw/zinc/98/82/11/947988211.db2.gz OFAAQICMYGBRNY-UHFFFAOYSA-N -1 1 375.433 0.955 20 0 GCADMM Cc1onc(CC(=O)N(C)CC(=O)N(C)C2CCCCC2)c1-c1nn[n-]n1 ZINC000826343148 947988219 /nfs/dbraw/zinc/98/82/19/947988219.db2.gz OFAAQICMYGBRNY-UHFFFAOYSA-N -1 1 375.433 0.955 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1-c1nnn[n-]1 ZINC000826343206 947989183 /nfs/dbraw/zinc/98/91/83/947989183.db2.gz QTIKPJFMWKCRAT-VIFPVBQESA-N -1 1 387.322 0.327 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1-c1nn[n-]n1 ZINC000826343206 947989187 /nfs/dbraw/zinc/98/91/87/947989187.db2.gz QTIKPJFMWKCRAT-VIFPVBQESA-N -1 1 387.322 0.327 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826343284 947989220 /nfs/dbraw/zinc/98/92/20/947989220.db2.gz UOLVJXCMSWVGIB-NWDGAFQWSA-N -1 1 382.446 0.520 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826343284 947989225 /nfs/dbraw/zinc/98/92/25/947989225.db2.gz UOLVJXCMSWVGIB-NWDGAFQWSA-N -1 1 382.446 0.520 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573399200 947989526 /nfs/dbraw/zinc/98/95/26/947989526.db2.gz SVHYIVUYJCIPSB-HNNXBMFYSA-N -1 1 378.462 0.195 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826343771 947995721 /nfs/dbraw/zinc/99/57/21/947995721.db2.gz NBBHEFWFDISROX-UHFFFAOYSA-N -1 1 387.444 0.957 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826343771 947995725 /nfs/dbraw/zinc/99/57/25/947995725.db2.gz NBBHEFWFDISROX-UHFFFAOYSA-N -1 1 387.444 0.957 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573657352 947998360 /nfs/dbraw/zinc/99/83/60/947998360.db2.gz MJUWUAREIIRGDB-APPDUMDISA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573657352 947998365 /nfs/dbraw/zinc/99/83/65/947998365.db2.gz MJUWUAREIIRGDB-APPDUMDISA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573657355 947999094 /nfs/dbraw/zinc/99/90/94/947999094.db2.gz MJUWUAREIIRGDB-PIGZYNQJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573657355 947999099 /nfs/dbraw/zinc/99/90/99/947999099.db2.gz MJUWUAREIIRGDB-PIGZYNQJSA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344458 948006591 /nfs/dbraw/zinc/00/65/91/948006591.db2.gz ISOOASQVSJTPCS-NSHDSACASA-N -1 1 378.389 0.275 20 0 GCADMM Cc1onc(CC(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344458 948006600 /nfs/dbraw/zinc/00/66/00/948006600.db2.gz ISOOASQVSJTPCS-NSHDSACASA-N -1 1 378.389 0.275 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573402982 948007723 /nfs/dbraw/zinc/00/77/23/948007723.db2.gz JUYCULMPUQXWFS-CHWSQXEVSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573402982 948007729 /nfs/dbraw/zinc/00/77/29/948007729.db2.gz JUYCULMPUQXWFS-CHWSQXEVSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cccc1 ZINC001573658290 948008932 /nfs/dbraw/zinc/00/89/32/948008932.db2.gz RUCIBAVNUFTSIW-CYBMUJFWSA-N -1 1 381.444 0.982 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573658634 948010249 /nfs/dbraw/zinc/01/02/49/948010249.db2.gz SOXOEXORKJKNPS-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1-c1nnn[n-]1 ZINC000826344725 948012035 /nfs/dbraw/zinc/01/20/35/948012035.db2.gz QOWPBLAPICYCOW-GFCCVEGCSA-N -1 1 396.411 0.978 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1-c1nn[n-]n1 ZINC000826344725 948012043 /nfs/dbraw/zinc/01/20/43/948012043.db2.gz QOWPBLAPICYCOW-GFCCVEGCSA-N -1 1 396.411 0.978 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c1-c1nnn[n-]1 ZINC000826344769 948013893 /nfs/dbraw/zinc/01/38/93/948013893.db2.gz RJQBPUMUBDHDPH-ZDUSSCGKSA-N -1 1 385.384 0.606 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC000826344769 948013901 /nfs/dbraw/zinc/01/39/01/948013901.db2.gz RJQBPUMUBDHDPH-ZDUSSCGKSA-N -1 1 385.384 0.606 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573404130 948015290 /nfs/dbraw/zinc/01/52/90/948015290.db2.gz QCXTYMAFQXNAOP-OLZOCXBDSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573404130 948015298 /nfs/dbraw/zinc/01/52/98/948015298.db2.gz QCXTYMAFQXNAOP-OLZOCXBDSA-N -1 1 387.448 0.140 20 0 GCADMM Cc1onc(CC(=O)N2CCCC[C@H]2CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826344898 948015699 /nfs/dbraw/zinc/01/56/99/948015699.db2.gz WARCNNBUHOFWSN-ZDUSSCGKSA-N -1 1 375.433 0.419 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)c1-c1nnn[n-]1 ZINC000826345173 948017987 /nfs/dbraw/zinc/01/79/87/948017987.db2.gz DYUDXSZLTFFRGY-JTQLQIEISA-N -1 1 379.446 0.522 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)c1-c1nn[n-]n1 ZINC000826345173 948017996 /nfs/dbraw/zinc/01/79/96/948017996.db2.gz DYUDXSZLTFFRGY-JTQLQIEISA-N -1 1 379.446 0.522 20 0 GCADMM C[C@H](C(=O)N[C@@H](COC(N)=O)Cc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573660120 948020148 /nfs/dbraw/zinc/02/01/48/948020148.db2.gz ZABOJMKUQZKAIB-ZYHUDNBSSA-N -1 1 385.388 0.256 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404411 948025417 /nfs/dbraw/zinc/02/54/17/948025417.db2.gz DAEKUUMMMXYGHC-LBPRGKRZSA-N -1 1 392.489 0.443 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404530 948026998 /nfs/dbraw/zinc/02/69/98/948026998.db2.gz UGSNLGHFINMYFM-NEPJUHHUSA-N -1 1 392.489 0.807 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826345863 948030086 /nfs/dbraw/zinc/03/00/86/948030086.db2.gz WGJPASQPAIMBJP-VIFPVBQESA-N -1 1 390.425 0.987 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826345863 948030091 /nfs/dbraw/zinc/03/00/91/948030091.db2.gz WGJPASQPAIMBJP-VIFPVBQESA-N -1 1 390.425 0.987 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)c1-c1nnn[n-]1 ZINC000826345979 948033965 /nfs/dbraw/zinc/03/39/65/948033965.db2.gz ZNZQFTCDWGPWDV-NSHDSACASA-N -1 1 379.446 0.474 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)c1-c1nn[n-]n1 ZINC000826345979 948033973 /nfs/dbraw/zinc/03/39/73/948033973.db2.gz ZNZQFTCDWGPWDV-NSHDSACASA-N -1 1 379.446 0.474 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N[C@@H](C)C(C)C)c1-c1nnn[n-]1 ZINC000826345987 948034142 /nfs/dbraw/zinc/03/41/42/948034142.db2.gz ZPJNJGWKQOEAEN-CABZTGNLSA-N -1 1 393.473 0.768 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000826345987 948034152 /nfs/dbraw/zinc/03/41/52/948034152.db2.gz ZPJNJGWKQOEAEN-CABZTGNLSA-N -1 1 393.473 0.768 20 0 GCADMM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573663325 948034300 /nfs/dbraw/zinc/03/43/00/948034300.db2.gz LKPODGHGPLUDLS-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](O)COc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826346213 948035250 /nfs/dbraw/zinc/03/52/50/948035250.db2.gz GRDMKVSZYQETLX-NSHDSACASA-N -1 1 376.348 0.401 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](O)COc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826346213 948035259 /nfs/dbraw/zinc/03/52/59/948035259.db2.gz GRDMKVSZYQETLX-NSHDSACASA-N -1 1 376.348 0.401 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](O)COc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826346358 948038107 /nfs/dbraw/zinc/03/81/07/948038107.db2.gz KURCBBXFWYLGGF-NSHDSACASA-N -1 1 376.348 0.401 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](O)COc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826346358 948038116 /nfs/dbraw/zinc/03/81/16/948038116.db2.gz KURCBBXFWYLGGF-NSHDSACASA-N -1 1 376.348 0.401 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573405443 948041996 /nfs/dbraw/zinc/04/19/96/948041996.db2.gz QMHZGWSACRNGJX-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573405443 948042004 /nfs/dbraw/zinc/04/20/04/948042004.db2.gz QMHZGWSACRNGJX-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573405358 948042895 /nfs/dbraw/zinc/04/28/95/948042895.db2.gz PVJMYGJOMHYIDQ-UHFFFAOYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573405358 948042905 /nfs/dbraw/zinc/04/29/05/948042905.db2.gz PVJMYGJOMHYIDQ-UHFFFAOYSA-N -1 1 384.853 0.516 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1-c1nnn[n-]1 ZINC000826346572 948044022 /nfs/dbraw/zinc/04/40/22/948044022.db2.gz POVZNTKWZBAHKZ-NSHDSACASA-N -1 1 396.411 0.200 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1-c1nn[n-]n1 ZINC000826346572 948044032 /nfs/dbraw/zinc/04/40/32/948044032.db2.gz POVZNTKWZBAHKZ-NSHDSACASA-N -1 1 396.411 0.200 20 0 GCADMM CC(=O)N(C)CC(=O)NCCN(c1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573405538 948044409 /nfs/dbraw/zinc/04/44/09/948044409.db2.gz SXURDTJICUFISS-UHFFFAOYSA-N -1 1 378.462 0.195 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346636 948044441 /nfs/dbraw/zinc/04/44/41/948044441.db2.gz RLTXOPLHEDPJEN-ZDUSSCGKSA-N -1 1 381.396 0.623 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346636 948044448 /nfs/dbraw/zinc/04/44/48/948044448.db2.gz RLTXOPLHEDPJEN-ZDUSSCGKSA-N -1 1 381.396 0.623 20 0 GCADMM CC(=O)N(C)CC(=O)NC/C=C\CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573405755 948047551 /nfs/dbraw/zinc/04/75/51/948047551.db2.gz VWAUZWDGJFWCNN-ARJAWSKDSA-N -1 1 384.853 0.539 20 0 GCADMM Cc1onc(CC(=O)NCCNc2ncnc3sccc32)c1-c1nnn[n-]1 ZINC000826347475 948055506 /nfs/dbraw/zinc/05/55/06/948055506.db2.gz SOABWSHGUBHUAQ-UHFFFAOYSA-N -1 1 385.413 0.939 20 0 GCADMM Cc1onc(CC(=O)NCCNc2ncnc3sccc32)c1-c1nn[n-]n1 ZINC000826347475 948055513 /nfs/dbraw/zinc/05/55/13/948055513.db2.gz SOABWSHGUBHUAQ-UHFFFAOYSA-N -1 1 385.413 0.939 20 0 GCADMM C[C@H](C(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573664724 948059805 /nfs/dbraw/zinc/05/98/05/948059805.db2.gz XVQLLXOBUHSGMF-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573664724 948059813 /nfs/dbraw/zinc/05/98/13/948059813.db2.gz XVQLLXOBUHSGMF-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(CS(C)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826348102 948065397 /nfs/dbraw/zinc/06/53/97/948065397.db2.gz UODPTBXVNXSYFO-UHFFFAOYSA-N -1 1 390.425 0.567 20 0 GCADMM Cc1onc(CC(=O)NCc2cccc(CS(C)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826348102 948065404 /nfs/dbraw/zinc/06/54/04/948065404.db2.gz UODPTBXVNXSYFO-UHFFFAOYSA-N -1 1 390.425 0.567 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573665088 948066873 /nfs/dbraw/zinc/06/68/73/948066873.db2.gz IPUIZNFXUZVFDM-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573665088 948066882 /nfs/dbraw/zinc/06/68/82/948066882.db2.gz IPUIZNFXUZVFDM-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573665329 948073205 /nfs/dbraw/zinc/07/32/05/948073205.db2.gz KSBANJUUUMCBBI-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573665329 948073212 /nfs/dbraw/zinc/07/32/12/948073212.db2.gz KSBANJUUUMCBBI-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573665326 948073452 /nfs/dbraw/zinc/07/34/52/948073452.db2.gz KSBANJUUUMCBBI-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573665326 948073464 /nfs/dbraw/zinc/07/34/64/948073464.db2.gz KSBANJUUUMCBBI-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)[C@H]2C)C1 ZINC001573413792 948086563 /nfs/dbraw/zinc/08/65/63/948086563.db2.gz GDZVFNZMLAXVBT-SKDRFNHKSA-N -1 1 390.473 0.511 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1-c1nnn[n-]1 ZINC000826349100 948087386 /nfs/dbraw/zinc/08/73/86/948087386.db2.gz TXNHSCQOPAJMBL-UHFFFAOYSA-N -1 1 385.384 0.811 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1-c1nn[n-]n1 ZINC000826349100 948087395 /nfs/dbraw/zinc/08/73/95/948087395.db2.gz TXNHSCQOPAJMBL-UHFFFAOYSA-N -1 1 385.384 0.811 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CCNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573414063 948088949 /nfs/dbraw/zinc/08/89/49/948088949.db2.gz JAJBWKKEAXCDCU-UHFFFAOYSA-N -1 1 384.853 0.325 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CCNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573414063 948088956 /nfs/dbraw/zinc/08/89/56/948088956.db2.gz JAJBWKKEAXCDCU-UHFFFAOYSA-N -1 1 384.853 0.325 20 0 GCADMM CC(=O)N1CC(C(=O)N2CCC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573414845 948098703 /nfs/dbraw/zinc/09/87/03/948098703.db2.gz QUOKCPWVJQSGBM-GFCCVEGCSA-N -1 1 390.473 0.513 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573672117 948107802 /nfs/dbraw/zinc/10/78/02/948107802.db2.gz GTGSVSOWKPJFNW-NXEZZACHSA-N -1 1 384.487 0.052 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001573674628 948119172 /nfs/dbraw/zinc/11/91/72/948119172.db2.gz OPXPZHCWQOJDLA-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001573674628 948119181 /nfs/dbraw/zinc/11/91/81/948119181.db2.gz OPXPZHCWQOJDLA-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C)C1 ZINC001573419711 948127082 /nfs/dbraw/zinc/12/70/82/948127082.db2.gz PXHGRZWRFNSHAR-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C)C1 ZINC001573419711 948127088 /nfs/dbraw/zinc/12/70/88/948127088.db2.gz PXHGRZWRFNSHAR-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C)C1 ZINC001573419687 948127186 /nfs/dbraw/zinc/12/71/86/948127186.db2.gz PJDWOCRATRSTMM-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C)C1 ZINC001573419687 948127193 /nfs/dbraw/zinc/12/71/93/948127193.db2.gz PJDWOCRATRSTMM-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@@H](C(=O)NCC(=O)c1cccc(F)c1Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001573677311 948133668 /nfs/dbraw/zinc/13/36/68/948133668.db2.gz CFCWETTVIMDBHR-ZETCQYMHSA-N -1 1 378.755 0.811 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C2CC2)C1 ZINC001573422219 948142208 /nfs/dbraw/zinc/14/22/08/948142208.db2.gz ISFIURCWOGPJMT-LBPRGKRZSA-N -1 1 390.473 0.417 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)C)C1 ZINC001573423776 948145756 /nfs/dbraw/zinc/14/57/56/948145756.db2.gz PHTDXNGVSGQJKI-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)C)C1 ZINC001573423776 948145760 /nfs/dbraw/zinc/14/57/60/948145760.db2.gz PHTDXNGVSGQJKI-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001573678400 948151934 /nfs/dbraw/zinc/15/19/34/948151934.db2.gz DHJZHDBEJFIRPL-YPMHNXCESA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001573678400 948151939 /nfs/dbraw/zinc/15/19/39/948151939.db2.gz DHJZHDBEJFIRPL-YPMHNXCESA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573678673 948152385 /nfs/dbraw/zinc/15/23/85/948152385.db2.gz GGEBEOFQXDPLLQ-YPMHNXCESA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573678673 948152390 /nfs/dbraw/zinc/15/23/90/948152390.db2.gz GGEBEOFQXDPLLQ-YPMHNXCESA-N -1 1 384.448 0.747 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573428779 948166390 /nfs/dbraw/zinc/16/63/90/948166390.db2.gz BKSUWMRIRZRXTF-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573428779 948166396 /nfs/dbraw/zinc/16/63/96/948166396.db2.gz BKSUWMRIRZRXTF-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573429637 948171172 /nfs/dbraw/zinc/17/11/72/948171172.db2.gz JMSWTMDRAKKZJV-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573429637 948171178 /nfs/dbraw/zinc/17/11/78/948171178.db2.gz JMSWTMDRAKKZJV-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573430575 948176292 /nfs/dbraw/zinc/17/62/92/948176292.db2.gz QIGLUGJYDDSUDC-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573430575 948176297 /nfs/dbraw/zinc/17/62/97/948176297.db2.gz QIGLUGJYDDSUDC-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573432488 948188939 /nfs/dbraw/zinc/18/89/39/948188939.db2.gz GNSVLZVICSPLAI-APPDUMDISA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573432488 948188945 /nfs/dbraw/zinc/18/89/45/948188945.db2.gz GNSVLZVICSPLAI-APPDUMDISA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573680838 948189867 /nfs/dbraw/zinc/18/98/67/948189867.db2.gz QQXOJGLVEOQDQA-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573680838 948189873 /nfs/dbraw/zinc/18/98/73/948189873.db2.gz QQXOJGLVEOQDQA-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573432895 948194943 /nfs/dbraw/zinc/19/49/43/948194943.db2.gz IHLXEXBYHMTDFC-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573432895 948194948 /nfs/dbraw/zinc/19/49/48/948194948.db2.gz IHLXEXBYHMTDFC-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573681256 948199219 /nfs/dbraw/zinc/19/92/19/948199219.db2.gz TXXJMYFQQSIXFY-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573681256 948199227 /nfs/dbraw/zinc/19/92/27/948199227.db2.gz TXXJMYFQQSIXFY-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573681267 948199871 /nfs/dbraw/zinc/19/98/71/948199871.db2.gz UDCGUILFCFQBRH-DGCLKSJQSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573681267 948199876 /nfs/dbraw/zinc/19/98/76/948199876.db2.gz UDCGUILFCFQBRH-DGCLKSJQSA-N -1 1 384.448 0.747 20 0 GCADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cnn(C)c1 ZINC001573681394 948203030 /nfs/dbraw/zinc/20/30/30/948203030.db2.gz VGPJQYGUQHWINX-GWCFXTLKSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cnn(C)c1 ZINC001573681394 948203037 /nfs/dbraw/zinc/20/30/37/948203037.db2.gz VGPJQYGUQHWINX-GWCFXTLKSA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434211 948210080 /nfs/dbraw/zinc/21/00/80/948210080.db2.gz OXVNJWIYBGPVMQ-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434211 948210094 /nfs/dbraw/zinc/21/00/94/948210094.db2.gz OXVNJWIYBGPVMQ-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573689902 948220893 /nfs/dbraw/zinc/22/08/93/948220893.db2.gz ADVZMNGYRWVWFU-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573689902 948220900 /nfs/dbraw/zinc/22/09/00/948220900.db2.gz ADVZMNGYRWVWFU-QWRGUYRKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573690735 948228116 /nfs/dbraw/zinc/22/81/16/948228116.db2.gz AMJNTJAWJKPYCK-MNOVXSKESA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573690735 948228125 /nfs/dbraw/zinc/22/81/25/948228125.db2.gz AMJNTJAWJKPYCK-MNOVXSKESA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1cccnc1 ZINC001573691335 948240061 /nfs/dbraw/zinc/24/00/61/948240061.db2.gz FHLPCFLMFRBRPP-LBPRGKRZSA-N -1 1 379.428 0.728 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cncn1 ZINC001573691405 948241690 /nfs/dbraw/zinc/24/16/90/948241690.db2.gz GOJJMZFVAXVFGN-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cncn1 ZINC001573691405 948241695 /nfs/dbraw/zinc/24/16/95/948241695.db2.gz GOJJMZFVAXVFGN-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439741 948252604 /nfs/dbraw/zinc/25/26/04/948252604.db2.gz QTDSENUHNFJQMR-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439741 948252612 /nfs/dbraw/zinc/25/26/12/948252612.db2.gz QTDSENUHNFJQMR-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439906 948257365 /nfs/dbraw/zinc/25/73/65/948257365.db2.gz VTOIWBGNBQOVOI-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439906 948257373 /nfs/dbraw/zinc/25/73/73/948257373.db2.gz VTOIWBGNBQOVOI-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439971 948259043 /nfs/dbraw/zinc/25/90/43/948259043.db2.gz XOWSRLYIBFNSIX-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439971 948259051 /nfs/dbraw/zinc/25/90/51/948259051.db2.gz XOWSRLYIBFNSIX-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826424862 948271344 /nfs/dbraw/zinc/27/13/44/948271344.db2.gz GZOBFHPIOYPOLO-BXKDBHETSA-N -1 1 376.327 0.071 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573692951 948273183 /nfs/dbraw/zinc/27/31/83/948273183.db2.gz RCTFJUUUCJMLBW-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573692951 948273191 /nfs/dbraw/zinc/27/31/91/948273191.db2.gz RCTFJUUUCJMLBW-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826425201 948273649 /nfs/dbraw/zinc/27/36/49/948273649.db2.gz UBXVVZCTZRZZBO-CABZTGNLSA-N -1 1 376.327 0.071 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CCC1 ZINC001573692864 948274290 /nfs/dbraw/zinc/27/42/90/948274290.db2.gz QQZFJWUGUYQZSN-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573692864 948274303 /nfs/dbraw/zinc/27/43/03/948274303.db2.gz QQZFJWUGUYQZSN-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573441769 948277903 /nfs/dbraw/zinc/27/79/03/948277903.db2.gz AWRGETCAAOFSBR-DGCLKSJQSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573441769 948277912 /nfs/dbraw/zinc/27/79/12/948277912.db2.gz AWRGETCAAOFSBR-DGCLKSJQSA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573693271 948280029 /nfs/dbraw/zinc/28/00/29/948280029.db2.gz SCZYEYJMEOEIOE-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573693271 948280038 /nfs/dbraw/zinc/28/00/38/948280038.db2.gz SCZYEYJMEOEIOE-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573693573 948282871 /nfs/dbraw/zinc/28/28/71/948282871.db2.gz AEIBMJRIABCJCV-RFAUZJTJSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1)C1CCC1 ZINC001573693709 948285545 /nfs/dbraw/zinc/28/55/45/948285545.db2.gz YJJRUZMMARWGID-LBPRGKRZSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccc1 ZINC001573693706 948285696 /nfs/dbraw/zinc/28/56/96/948285696.db2.gz AVQVZUHRMHRXMH-SYQHCUMBSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccc1 ZINC001573693706 948285707 /nfs/dbraw/zinc/28/57/07/948285707.db2.gz AVQVZUHRMHRXMH-SYQHCUMBSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@H](C(=O)NCC1(C)CCC2(CC1)OCCO2)n1cnc(-c2nn[n-]n2)n1 ZINC001573694415 948294703 /nfs/dbraw/zinc/29/47/03/948294703.db2.gz VJDGMBDLXTYPJK-LLVKDONJSA-N -1 1 376.421 0.459 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573694719 948298625 /nfs/dbraw/zinc/29/86/25/948298625.db2.gz DCUXOZDMAWATMZ-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573694719 948298634 /nfs/dbraw/zinc/29/86/34/948298634.db2.gz DCUXOZDMAWATMZ-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccco1 ZINC001573696219 948320718 /nfs/dbraw/zinc/32/07/18/948320718.db2.gz MDROEFBTHXSZCT-ZDEQEGDKSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccco1 ZINC001573696219 948320725 /nfs/dbraw/zinc/32/07/25/948320725.db2.gz MDROEFBTHXSZCT-ZDEQEGDKSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001573696196 948320901 /nfs/dbraw/zinc/32/09/01/948320901.db2.gz LYTWXPRGPSPGTG-AATLWQCWSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573696355 948324905 /nfs/dbraw/zinc/32/49/05/948324905.db2.gz OLWGYSFXHVRUGF-VFZGTOFNSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573696355 948324916 /nfs/dbraw/zinc/32/49/16/948324916.db2.gz OLWGYSFXHVRUGF-VFZGTOFNSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(F)(F)F ZINC001573696474 948326980 /nfs/dbraw/zinc/32/69/80/948326980.db2.gz RAAMNGOKVNPOKG-AATLWQCWSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(F)(F)F ZINC001573696474 948326987 /nfs/dbraw/zinc/32/69/87/948326987.db2.gz RAAMNGOKVNPOKG-AATLWQCWSA-N -1 1 382.350 0.654 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573447096 948340912 /nfs/dbraw/zinc/34/09/12/948340912.db2.gz VCUDGWUBCODNEM-JOYOIKCWSA-N -1 1 392.489 0.949 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573702015 948342683 /nfs/dbraw/zinc/34/26/83/948342683.db2.gz CNDZPCUQFWTMTM-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573702604 948347211 /nfs/dbraw/zinc/34/72/11/948347211.db2.gz FVEGBIFJGITIJN-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573702604 948347219 /nfs/dbraw/zinc/34/72/19/948347219.db2.gz FVEGBIFJGITIJN-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573703122 948352186 /nfs/dbraw/zinc/35/21/86/948352186.db2.gz IESJSYJITOCMHB-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573704024 948364129 /nfs/dbraw/zinc/36/41/29/948364129.db2.gz OBTJUKZRDBZXTL-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573704024 948364139 /nfs/dbraw/zinc/36/41/39/948364139.db2.gz OBTJUKZRDBZXTL-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573704059 948364924 /nfs/dbraw/zinc/36/49/24/948364924.db2.gz ONESJNCLOAXXAL-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573704059 948364928 /nfs/dbraw/zinc/36/49/28/948364928.db2.gz ONESJNCLOAXXAL-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573704158 948366749 /nfs/dbraw/zinc/36/67/49/948366749.db2.gz PSWQVTLYFKRLHQ-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573704158 948366754 /nfs/dbraw/zinc/36/67/54/948366754.db2.gz PSWQVTLYFKRLHQ-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573704716 948380256 /nfs/dbraw/zinc/38/02/56/948380256.db2.gz CYOMDVLPXDYSAB-OLZOCXBDSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573704716 948380264 /nfs/dbraw/zinc/38/02/64/948380264.db2.gz CYOMDVLPXDYSAB-OLZOCXBDSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573704741 948380845 /nfs/dbraw/zinc/38/08/45/948380845.db2.gz DGURIPXZRSWHPT-VXGBXAGGSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573704741 948380853 /nfs/dbraw/zinc/38/08/53/948380853.db2.gz DGURIPXZRSWHPT-VXGBXAGGSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573704756 948383310 /nfs/dbraw/zinc/38/33/10/948383310.db2.gz DLJGRFFBAWLBRM-STQMWFEESA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573704756 948383318 /nfs/dbraw/zinc/38/33/18/948383318.db2.gz DLJGRFFBAWLBRM-STQMWFEESA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C1CCC1 ZINC001573704875 948384929 /nfs/dbraw/zinc/38/49/29/948384929.db2.gz BUDHCHIWXCAZEF-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C1CCC1 ZINC001573704875 948384935 /nfs/dbraw/zinc/38/49/35/948384935.db2.gz BUDHCHIWXCAZEF-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573705088 948391487 /nfs/dbraw/zinc/39/14/87/948391487.db2.gz FSZLXZUGTQGNFN-NEPJUHHUSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573705092 948391953 /nfs/dbraw/zinc/39/19/53/948391953.db2.gz FSZLXZUGTQGNFN-NWDGAFQWSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573705185 948393312 /nfs/dbraw/zinc/39/33/12/948393312.db2.gz DCFQQNJIMNEUOM-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573705185 948393318 /nfs/dbraw/zinc/39/33/18/948393318.db2.gz DCFQQNJIMNEUOM-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573705187 948394104 /nfs/dbraw/zinc/39/41/04/948394104.db2.gz DCFQQNJIMNEUOM-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573705187 948394112 /nfs/dbraw/zinc/39/41/12/948394112.db2.gz DCFQQNJIMNEUOM-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM O=S(=O)(NC[C@H]1COC2(CCCCC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490664 948403412 /nfs/dbraw/zinc/40/34/12/948403412.db2.gz CMHHXDCXGKVOPW-NSHDSACASA-N -1 1 380.430 0.616 20 0 GCADMM O=S(=O)(NC[C@H]1COC2(CCCCC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490664 948403417 /nfs/dbraw/zinc/40/34/17/948403417.db2.gz CMHHXDCXGKVOPW-NSHDSACASA-N -1 1 380.430 0.616 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(F)(F)F ZINC001573705633 948406657 /nfs/dbraw/zinc/40/66/57/948406657.db2.gz GPCWEEPOTWAQLA-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(F)(F)F ZINC001573705633 948406661 /nfs/dbraw/zinc/40/66/61/948406661.db2.gz GPCWEEPOTWAQLA-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573706193 948413574 /nfs/dbraw/zinc/41/35/74/948413574.db2.gz KFSSCSLLPZCIES-QWHCGFSZSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573706193 948413579 /nfs/dbraw/zinc/41/35/79/948413579.db2.gz KFSSCSLLPZCIES-QWHCGFSZSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573706248 948415310 /nfs/dbraw/zinc/41/53/10/948415310.db2.gz ZRXHQDAUQSYIJM-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573706195 948415893 /nfs/dbraw/zinc/41/58/93/948415893.db2.gz KFSSCSLLPZCIES-STQMWFEESA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573706195 948415897 /nfs/dbraw/zinc/41/58/97/948415897.db2.gz KFSSCSLLPZCIES-STQMWFEESA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573706309 948416835 /nfs/dbraw/zinc/41/68/35/948416835.db2.gz IEZOCGSADVXVJV-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573706309 948416840 /nfs/dbraw/zinc/41/68/40/948416840.db2.gz IEZOCGSADVXVJV-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)c1ccco1 ZINC001573706428 948419003 /nfs/dbraw/zinc/41/90/03/948419003.db2.gz JBHDBQFEOIHADR-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)c1ccco1 ZINC001573706428 948419008 /nfs/dbraw/zinc/41/90/08/948419008.db2.gz JBHDBQFEOIHADR-NWDGAFQWSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573706618 948421034 /nfs/dbraw/zinc/42/10/34/948421034.db2.gz JQRVUVCTASLWMB-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573706618 948421041 /nfs/dbraw/zinc/42/10/41/948421041.db2.gz JQRVUVCTASLWMB-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573706639 948423025 /nfs/dbraw/zinc/42/30/25/948423025.db2.gz JYSGMLXCRUNIDC-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573706639 948423032 /nfs/dbraw/zinc/42/30/32/948423032.db2.gz JYSGMLXCRUNIDC-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(C)(F)F ZINC001573707089 948427438 /nfs/dbraw/zinc/42/74/38/948427438.db2.gz MICSFAXQLUTUHP-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(C)(F)F ZINC001573707089 948427445 /nfs/dbraw/zinc/42/74/45/948427445.db2.gz MICSFAXQLUTUHP-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(C)(F)F ZINC001573707094 948427834 /nfs/dbraw/zinc/42/78/34/948427834.db2.gz MICSFAXQLUTUHP-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(C)(F)F ZINC001573707094 948427841 /nfs/dbraw/zinc/42/78/41/948427841.db2.gz MICSFAXQLUTUHP-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)n1cccc1 ZINC001573707495 948433805 /nfs/dbraw/zinc/43/38/05/948433805.db2.gz NVCISGZLGFXZQP-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)n1cccc1 ZINC001573707495 948433807 /nfs/dbraw/zinc/43/38/07/948433807.db2.gz NVCISGZLGFXZQP-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573707751 948438168 /nfs/dbraw/zinc/43/81/68/948438168.db2.gz PJHGBYLQGALGOD-ZDUSSCGKSA-N -1 1 381.444 0.840 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1ccco1 ZINC001573707840 948438703 /nfs/dbraw/zinc/43/87/03/948438703.db2.gz QCFNJKOKMRUHPY-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1ccco1 ZINC001573707840 948438709 /nfs/dbraw/zinc/43/87/09/948438709.db2.gz QCFNJKOKMRUHPY-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)n1cccc1 ZINC001573707782 948438753 /nfs/dbraw/zinc/43/87/53/948438753.db2.gz PTIZBNLURKWQJC-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)n1cccc1 ZINC001573707782 948438759 /nfs/dbraw/zinc/43/87/59/948438759.db2.gz PTIZBNLURKWQJC-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573707895 948441194 /nfs/dbraw/zinc/44/11/94/948441194.db2.gz QHWDVDMTTADPLQ-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573707895 948441201 /nfs/dbraw/zinc/44/12/01/948441201.db2.gz QHWDVDMTTADPLQ-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)n1cccc1 ZINC001573708107 948443528 /nfs/dbraw/zinc/44/35/28/948443528.db2.gz RPNIOPHGCQSZJY-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)n1cccc1 ZINC001573708105 948443541 /nfs/dbraw/zinc/44/35/41/948443541.db2.gz RPNIOPHGCQSZJY-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573708216 948445294 /nfs/dbraw/zinc/44/52/94/948445294.db2.gz RYQYAPNNSNVSAS-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573708216 948445300 /nfs/dbraw/zinc/44/53/00/948445300.db2.gz RYQYAPNNSNVSAS-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573708262 948447065 /nfs/dbraw/zinc/44/70/65/948447065.db2.gz SHMJWGNTJDYPID-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573708262 948447071 /nfs/dbraw/zinc/44/70/71/948447071.db2.gz SHMJWGNTJDYPID-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573708804 948459807 /nfs/dbraw/zinc/45/98/07/948459807.db2.gz XWORMZPDRATXCF-WFASDCNBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573708804 948459816 /nfs/dbraw/zinc/45/98/16/948459816.db2.gz XWORMZPDRATXCF-WFASDCNBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573708849 948460353 /nfs/dbraw/zinc/46/03/53/948460353.db2.gz XWCHRFYMTUDFKG-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM c1nc2cncc(N3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)n2n1 ZINC000826526783 948464955 /nfs/dbraw/zinc/46/49/55/948464955.db2.gz MICCIXYIZNOWRQ-UHFFFAOYSA-N -1 1 379.388 0.496 20 0 GCADMM C[C@H](C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1)N(C)CC(F)(F)F ZINC001573713641 948465655 /nfs/dbraw/zinc/46/56/55/948465655.db2.gz ATMPMQMCLBHQBX-SECBINFHSA-N -1 1 387.370 0.458 20 0 GCADMM C[C@H](C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573713641 948465662 /nfs/dbraw/zinc/46/56/62/948465662.db2.gz ATMPMQMCLBHQBX-SECBINFHSA-N -1 1 387.370 0.458 20 0 GCADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573713942 948466915 /nfs/dbraw/zinc/46/69/15/948466915.db2.gz CJNQXIOMDCYPOM-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573713942 948466920 /nfs/dbraw/zinc/46/69/20/948466920.db2.gz CJNQXIOMDCYPOM-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573714674 948475108 /nfs/dbraw/zinc/47/51/08/948475108.db2.gz INMXOIGUVNWBNH-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)N(C)CC(F)(F)F ZINC001573717494 948507840 /nfs/dbraw/zinc/50/78/40/948507840.db2.gz DCGHPBGZRWJNNM-SECBINFHSA-N -1 1 387.370 0.092 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573717494 948507845 /nfs/dbraw/zinc/50/78/45/948507845.db2.gz DCGHPBGZRWJNNM-SECBINFHSA-N -1 1 387.370 0.092 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573717511 948510657 /nfs/dbraw/zinc/51/06/57/948510657.db2.gz DRSHTZLAIAQUSB-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573717511 948510664 /nfs/dbraw/zinc/51/06/64/948510664.db2.gz DRSHTZLAIAQUSB-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(C)C ZINC001573718111 948513495 /nfs/dbraw/zinc/51/34/95/948513495.db2.gz HUKHKHFFKPQABB-CYBMUJFWSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(C)C ZINC001573718111 948513502 /nfs/dbraw/zinc/51/35/02/948513502.db2.gz HUKHKHFFKPQABB-CYBMUJFWSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cnn(C)c1 ZINC001573718098 948514005 /nfs/dbraw/zinc/51/40/05/948514005.db2.gz HRDRKEVZKGGVHF-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cnn(C)c1 ZINC001573718098 948514014 /nfs/dbraw/zinc/51/40/14/948514014.db2.gz HRDRKEVZKGGVHF-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1c(F)cccc1F ZINC001573718849 948520725 /nfs/dbraw/zinc/52/07/25/948520725.db2.gz UPNDWTCLVRWRPV-QMMMGPOBSA-N -1 1 391.338 0.327 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)n1cncn1 ZINC001573719678 948526893 /nfs/dbraw/zinc/52/68/93/948526893.db2.gz MXGCRWCKZDQSOW-ZETCQYMHSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)n1cncn1 ZINC001573719678 948526905 /nfs/dbraw/zinc/52/69/05/948526905.db2.gz MXGCRWCKZDQSOW-ZETCQYMHSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)n1cncn1 ZINC001573719677 948527295 /nfs/dbraw/zinc/52/72/95/948527295.db2.gz MXGCRWCKZDQSOW-SSDOTTSWSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)n1cncn1 ZINC001573719677 948527301 /nfs/dbraw/zinc/52/73/01/948527301.db2.gz MXGCRWCKZDQSOW-SSDOTTSWSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573721335 948540028 /nfs/dbraw/zinc/54/00/28/948540028.db2.gz XVODFYBZACUIGB-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573721335 948540037 /nfs/dbraw/zinc/54/00/37/948540037.db2.gz XVODFYBZACUIGB-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccc1 ZINC001573726282 948550456 /nfs/dbraw/zinc/55/04/56/948550456.db2.gz HTXSPAXXHSUPNC-HZSPNIEDSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H](C)n1cncn1 ZINC001573732213 948601218 /nfs/dbraw/zinc/60/12/18/948601218.db2.gz MVCSPNWTTXUUJR-BQBZGAKWSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573736462 948616132 /nfs/dbraw/zinc/61/61/32/948616132.db2.gz VYMVHJGJZFLTSV-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573736462 948616135 /nfs/dbraw/zinc/61/61/35/948616135.db2.gz VYMVHJGJZFLTSV-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O)n1cnc(-c2nn[n-]n2)n1 ZINC001573739562 948620689 /nfs/dbraw/zinc/62/06/89/948620689.db2.gz FNYZUKNYIIBGMD-ZOFUNIGCSA-N -1 1 390.429 0.470 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cccs1 ZINC001573740071 948627591 /nfs/dbraw/zinc/62/75/91/948627591.db2.gz CZAPXLVCSIRHFM-AXFHLTTASA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccsc1 ZINC001573740624 948640332 /nfs/dbraw/zinc/64/03/32/948640332.db2.gz RDKZJGLHGHRYCC-MVWJERBFSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccsc1 ZINC001573740624 948640338 /nfs/dbraw/zinc/64/03/38/948640338.db2.gz RDKZJGLHGHRYCC-MVWJERBFSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccs1 ZINC001573740846 948643939 /nfs/dbraw/zinc/64/39/39/948643939.db2.gz PKFFDYUFTVFGSU-YUSALJHKSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccs1 ZINC001573740846 948643942 /nfs/dbraw/zinc/64/39/42/948643942.db2.gz PKFFDYUFTVFGSU-YUSALJHKSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O)C1CC1 ZINC001573740997 948647278 /nfs/dbraw/zinc/64/72/78/948647278.db2.gz WIANSOJLHVHVEJ-FTLITQJKSA-N -1 1 383.865 0.688 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O)C1CC1 ZINC001573740997 948647283 /nfs/dbraw/zinc/64/72/83/948647283.db2.gz WIANSOJLHVHVEJ-FTLITQJKSA-N -1 1 383.865 0.688 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573741839 948657979 /nfs/dbraw/zinc/65/79/79/948657979.db2.gz FRFQEAFPOMHVDE-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573741839 948657991 /nfs/dbraw/zinc/65/79/91/948657991.db2.gz FRFQEAFPOMHVDE-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@H](CC(N)=O)c1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573742571 948662953 /nfs/dbraw/zinc/66/29/53/948662953.db2.gz MKBFZQDXNBMFPL-GZMMTYOYSA-N -1 1 389.807 0.406 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H](C)n1cncn1 ZINC001573742920 948664123 /nfs/dbraw/zinc/66/41/23/948664123.db2.gz TZKGRTXCAMKGDY-RQJHMYQMSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H](C)n1cncn1 ZINC001573742920 948664131 /nfs/dbraw/zinc/66/41/31/948664131.db2.gz TZKGRTXCAMKGDY-RQJHMYQMSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573753365 948718227 /nfs/dbraw/zinc/71/82/27/948718227.db2.gz SBSCEEQNHNKWRG-RNJOBUHISA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573753365 948718230 /nfs/dbraw/zinc/71/82/30/948718230.db2.gz SBSCEEQNHNKWRG-RNJOBUHISA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573753889 948723215 /nfs/dbraw/zinc/72/32/15/948723215.db2.gz YADFNRDHBFAOPO-CXTNEJHOSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573753889 948723220 /nfs/dbraw/zinc/72/32/20/948723220.db2.gz YADFNRDHBFAOPO-CXTNEJHOSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001573754022 948725442 /nfs/dbraw/zinc/72/54/42/948725442.db2.gz AWNKPTYIHGGGAV-SECBINFHSA-N -1 1 390.429 0.582 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574075288 948744288 /nfs/dbraw/zinc/74/42/88/948744288.db2.gz WTTMCAUAUVLIJB-SWLSCSKDSA-N -1 1 392.439 0.441 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574075288 948744297 /nfs/dbraw/zinc/74/42/97/948744297.db2.gz WTTMCAUAUVLIJB-SWLSCSKDSA-N -1 1 392.439 0.441 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574416398 948746164 /nfs/dbraw/zinc/74/61/64/948746164.db2.gz UETNZBIBOWAYQQ-CQSZACIVSA-N -1 1 382.428 0.405 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574678435 948748414 /nfs/dbraw/zinc/74/84/14/948748414.db2.gz FSFUDHXROSXBHB-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574678435 948748420 /nfs/dbraw/zinc/74/84/20/948748420.db2.gz FSFUDHXROSXBHB-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001574416527 948749669 /nfs/dbraw/zinc/74/96/69/948749669.db2.gz WZKULWBDESQJSU-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001574416527 948749679 /nfs/dbraw/zinc/74/96/79/948749679.db2.gz WZKULWBDESQJSU-LBPRGKRZSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574678411 948749776 /nfs/dbraw/zinc/74/97/76/948749776.db2.gz FPBRHODXGLXXGH-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574678411 948749783 /nfs/dbraw/zinc/74/97/83/948749783.db2.gz FPBRHODXGLXXGH-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccnc1N(C)C ZINC001574678551 948753947 /nfs/dbraw/zinc/75/39/47/948753947.db2.gz GXZISQMASLAFMT-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccnc1N(C)C ZINC001574678551 948753958 /nfs/dbraw/zinc/75/39/58/948753958.db2.gz GXZISQMASLAFMT-NSHDSACASA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574678700 948755848 /nfs/dbraw/zinc/75/58/48/948755848.db2.gz IDOBMOINQGRTRS-RYUDHWBXSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574678700 948755861 /nfs/dbraw/zinc/75/58/61/948755861.db2.gz IDOBMOINQGRTRS-RYUDHWBXSA-N -1 1 383.416 0.826 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)CC1 ZINC001575222747 948756644 /nfs/dbraw/zinc/75/66/44/948756644.db2.gz ITPKFUWPUZRDNJ-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)CC1 ZINC001575222747 948756647 /nfs/dbraw/zinc/75/66/47/948756647.db2.gz ITPKFUWPUZRDNJ-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C(N)=O)cs1 ZINC001574678675 948757174 /nfs/dbraw/zinc/75/71/74/948757174.db2.gz HZGCBCSNFXQSPM-MRVPVSSYSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C(N)=O)cs1 ZINC001574678675 948757184 /nfs/dbraw/zinc/75/71/84/948757184.db2.gz HZGCBCSNFXQSPM-MRVPVSSYSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC[C@@H]1CCCO1 ZINC001574678800 948758890 /nfs/dbraw/zinc/75/88/90/948758890.db2.gz IYVFAWBBKXEHTI-RYUDHWBXSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC[C@@H]1CCCO1 ZINC001574678800 948758899 /nfs/dbraw/zinc/75/88/99/948758899.db2.gz IYVFAWBBKXEHTI-RYUDHWBXSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574679010 948763844 /nfs/dbraw/zinc/76/38/44/948763844.db2.gz LUFMZGKWVAFCHO-MNOVXSKESA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574679010 948763857 /nfs/dbraw/zinc/76/38/57/948763857.db2.gz LUFMZGKWVAFCHO-MNOVXSKESA-N -1 1 382.432 0.492 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001575223499 948766861 /nfs/dbraw/zinc/76/68/61/948766861.db2.gz CAEWWPXEKDBNNL-BMIGLBTASA-N -1 1 378.387 0.987 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001574417084 948767319 /nfs/dbraw/zinc/76/73/19/948767319.db2.gz KXBXTBGIDNRATK-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001574417084 948767327 /nfs/dbraw/zinc/76/73/27/948767327.db2.gz KXBXTBGIDNRATK-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cn1ccc(C(F)F)n1 ZINC001574679296 948774499 /nfs/dbraw/zinc/77/44/99/948774499.db2.gz SEUQADIOJVHGDR-SECBINFHSA-N -1 1 392.374 0.798 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cn1ccc(C(F)F)n1 ZINC001574679296 948774510 /nfs/dbraw/zinc/77/45/10/948774510.db2.gz SEUQADIOJVHGDR-SECBINFHSA-N -1 1 392.374 0.798 20 0 GCADMM CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575223970 948775063 /nfs/dbraw/zinc/77/50/63/948775063.db2.gz QZQHUTSXIUQJGT-SNVBAGLBSA-N -1 1 378.387 0.917 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574419307 948779728 /nfs/dbraw/zinc/77/97/28/948779728.db2.gz AKNILMPAEXMKDV-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574419307 948779743 /nfs/dbraw/zinc/77/97/43/948779743.db2.gz AKNILMPAEXMKDV-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn2c1OCCC2 ZINC001574679390 948780421 /nfs/dbraw/zinc/78/04/21/948780421.db2.gz USWVKAHCVJDQIT-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn2c1OCCC2 ZINC001574679390 948780435 /nfs/dbraw/zinc/78/04/35/948780435.db2.gz USWVKAHCVJDQIT-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574679419 948782596 /nfs/dbraw/zinc/78/25/96/948782596.db2.gz UYRVWOUEOOYBEK-NWDGAFQWSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574679419 948782608 /nfs/dbraw/zinc/78/26/08/948782608.db2.gz UYRVWOUEOOYBEK-NWDGAFQWSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)c1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001574419343 948784364 /nfs/dbraw/zinc/78/43/64/948784364.db2.gz BZLUHSLBFIVECP-HZPDHXFCSA-N -1 1 394.439 0.760 20 0 GCADMM CC(C)c1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001574419343 948784372 /nfs/dbraw/zinc/78/43/72/948784372.db2.gz BZLUHSLBFIVECP-HZPDHXFCSA-N -1 1 394.439 0.760 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001574679570 948787191 /nfs/dbraw/zinc/78/71/91/948787191.db2.gz YDXYQRPGHDXIGH-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001574679570 948787205 /nfs/dbraw/zinc/78/72/05/948787205.db2.gz YDXYQRPGHDXIGH-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc2n1CCCC2 ZINC001574679649 948792259 /nfs/dbraw/zinc/79/22/59/948792259.db2.gz ZRIXAVMNHZLKRS-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc2n1CCCC2 ZINC001574679649 948792264 /nfs/dbraw/zinc/79/22/64/948792264.db2.gz ZRIXAVMNHZLKRS-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccnn1CC(F)F ZINC001574679884 948792422 /nfs/dbraw/zinc/79/24/22/948792422.db2.gz AOYNEWGPOFNKFD-SECBINFHSA-N -1 1 392.374 0.739 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccnn1CC(F)F ZINC001574679884 948792428 /nfs/dbraw/zinc/79/24/28/948792428.db2.gz AOYNEWGPOFNKFD-SECBINFHSA-N -1 1 392.374 0.739 20 0 GCADMM CC(F)(F)CC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575225187 948800383 /nfs/dbraw/zinc/80/03/83/948800383.db2.gz XRBRNOQIZCZUSK-UHFFFAOYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575225187 948800395 /nfs/dbraw/zinc/80/03/95/948800395.db2.gz XRBRNOQIZCZUSK-UHFFFAOYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574420520 948801739 /nfs/dbraw/zinc/80/17/39/948801739.db2.gz WFIPDOIGCHWQFZ-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574420520 948801753 /nfs/dbraw/zinc/80/17/53/948801753.db2.gz WFIPDOIGCHWQFZ-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574420812 948804775 /nfs/dbraw/zinc/80/47/75/948804775.db2.gz ASVJCIVKZUTHDE-LLVKDONJSA-N -1 1 386.416 0.340 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CC1 ZINC001575226279 948816286 /nfs/dbraw/zinc/81/62/86/948816286.db2.gz KYVUQMNWGBYPPK-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CC1 ZINC001575226279 948816304 /nfs/dbraw/zinc/81/63/04/948816304.db2.gz KYVUQMNWGBYPPK-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM CC(F)(F)CC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575226922 948822121 /nfs/dbraw/zinc/82/21/21/948822121.db2.gz PATKSAIMVDJZOA-UHFFFAOYSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)CC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575226922 948822137 /nfs/dbraw/zinc/82/21/37/948822137.db2.gz PATKSAIMVDJZOA-UHFFFAOYSA-N -1 1 382.375 0.467 20 0 GCADMM C[C@H](C(=O)Nc1ccccc1CS(C)(=O)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573756877 948825110 /nfs/dbraw/zinc/82/51/10/948825110.db2.gz VEQVKZSTFRBLMQ-SECBINFHSA-N -1 1 376.402 0.203 20 0 GCADMM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574917941 948827909 /nfs/dbraw/zinc/82/79/09/948827909.db2.gz CUEZMKVSIZAVTN-LBPRGKRZSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574917941 948827926 /nfs/dbraw/zinc/82/79/26/948827926.db2.gz CUEZMKVSIZAVTN-LBPRGKRZSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574682257 948831867 /nfs/dbraw/zinc/83/18/67/948831867.db2.gz QVJAWLVJHXSLEQ-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574682257 948831886 /nfs/dbraw/zinc/83/18/86/948831886.db2.gz QVJAWLVJHXSLEQ-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574683090 948835736 /nfs/dbraw/zinc/83/57/36/948835736.db2.gz UJTZELVYPKFDAB-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574683090 948835754 /nfs/dbraw/zinc/83/57/54/948835754.db2.gz UJTZELVYPKFDAB-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001575229154 948836122 /nfs/dbraw/zinc/83/61/22/948836122.db2.gz CUIDJFAGXSQNEU-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001575229154 948836141 /nfs/dbraw/zinc/83/61/41/948836141.db2.gz CUIDJFAGXSQNEU-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncc(F)cc1F ZINC001574682867 948837445 /nfs/dbraw/zinc/83/74/45/948837445.db2.gz RZHGZGRSNRJUDO-QMMMGPOBSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncc(F)cc1F ZINC001574682867 948837461 /nfs/dbraw/zinc/83/74/61/948837461.db2.gz RZHGZGRSNRJUDO-QMMMGPOBSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574683099 948843519 /nfs/dbraw/zinc/84/35/19/948843519.db2.gz ULKZMMWAQIAEDC-ZETCQYMHSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574683099 948843536 /nfs/dbraw/zinc/84/35/36/948843536.db2.gz ULKZMMWAQIAEDC-ZETCQYMHSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cn1cc(Cl)cn1 ZINC001574683215 948846237 /nfs/dbraw/zinc/84/62/37/948846237.db2.gz VXVUWHCBSNPZGV-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cn1cc(Cl)cn1 ZINC001574683215 948846251 /nfs/dbraw/zinc/84/62/51/948846251.db2.gz VXVUWHCBSNPZGV-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001575229462 948847060 /nfs/dbraw/zinc/84/70/60/948847060.db2.gz JGLJHQWSFNJQIB-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001575229462 948847072 /nfs/dbraw/zinc/84/70/72/948847072.db2.gz JGLJHQWSFNJQIB-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cs1 ZINC001574424334 948848089 /nfs/dbraw/zinc/84/80/89/948848089.db2.gz KWVVBMPQJMIOCS-SNVBAGLBSA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C)nc1Cl ZINC001574683404 948851620 /nfs/dbraw/zinc/85/16/20/948851620.db2.gz ZWUVXDMSTDHTGH-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C)nc1Cl ZINC001574683404 948851637 /nfs/dbraw/zinc/85/16/37/948851637.db2.gz ZWUVXDMSTDHTGH-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573762381 948857035 /nfs/dbraw/zinc/85/70/35/948857035.db2.gz VBHZHQLXERMRSY-UHFFFAOYSA-N -1 1 388.354 0.478 20 0 GCADMM CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573762381 948857053 /nfs/dbraw/zinc/85/70/53/948857053.db2.gz VBHZHQLXERMRSY-UHFFFAOYSA-N -1 1 388.354 0.478 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)CCNC(N)=O ZINC001574684218 948857913 /nfs/dbraw/zinc/85/79/13/948857913.db2.gz CDUYFABUOFWGDL-ZCFIWIBFSA-N -1 1 387.857 0.342 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)CCNC(N)=O ZINC001574684218 948857926 /nfs/dbraw/zinc/85/79/26/948857926.db2.gz CDUYFABUOFWGDL-ZCFIWIBFSA-N -1 1 387.857 0.342 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684379 948864671 /nfs/dbraw/zinc/86/46/71/948864671.db2.gz DZHWLTQWTMJMHS-RNFRBKRXSA-N -1 1 384.853 0.562 20 0 GCADMM CC(C)c1nc([C@@H]2CCCCN2c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)no1 ZINC001574425320 948872609 /nfs/dbraw/zinc/87/26/09/948872609.db2.gz CPDAAFTXZRRVAM-VIFPVBQESA-N -1 1 387.404 0.492 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)cs1 ZINC001574425507 948877643 /nfs/dbraw/zinc/87/76/43/948877643.db2.gz GZYDTQOWVWXLBE-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)cs1 ZINC001574425507 948877658 /nfs/dbraw/zinc/87/76/58/948877658.db2.gz GZYDTQOWVWXLBE-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575234734 948906145 /nfs/dbraw/zinc/90/61/45/948906145.db2.gz CWQYLDMFIKFIFB-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575234734 948906159 /nfs/dbraw/zinc/90/61/59/948906159.db2.gz CWQYLDMFIKFIFB-SNVBAGLBSA-N -1 1 382.375 0.731 20 0 GCADMM CC(C)(C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573765488 948912502 /nfs/dbraw/zinc/91/25/02/948912502.db2.gz KGFVASOWCUMVMT-ZDUSSCGKSA-N -1 1 386.460 0.544 20 0 GCADMM CC(F)(F)CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575235466 948918770 /nfs/dbraw/zinc/91/87/70/948918770.db2.gz VLEPSVWVVWCEPB-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575235466 948918782 /nfs/dbraw/zinc/91/87/82/948918782.db2.gz VLEPSVWVVWCEPB-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575235478 948920472 /nfs/dbraw/zinc/92/04/72/948920472.db2.gz MENSSQCGDIJPKO-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575235478 948920486 /nfs/dbraw/zinc/92/04/86/948920486.db2.gz MENSSQCGDIJPKO-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574431862 948927610 /nfs/dbraw/zinc/92/76/10/948927610.db2.gz CWLBCUSVEWLDMJ-NSHDSACASA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574431862 948927620 /nfs/dbraw/zinc/92/76/20/948927620.db2.gz CWLBCUSVEWLDMJ-NSHDSACASA-N -1 1 382.432 0.825 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574923103 948934251 /nfs/dbraw/zinc/93/42/51/948934251.db2.gz DOUVKDUNPLXRHR-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574923103 948934263 /nfs/dbraw/zinc/93/42/63/948934263.db2.gz DOUVKDUNPLXRHR-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574432922 948942622 /nfs/dbraw/zinc/94/26/22/948942622.db2.gz PIQIQBKWMPMZML-NSHDSACASA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574432922 948942640 /nfs/dbraw/zinc/94/26/40/948942640.db2.gz PIQIQBKWMPMZML-NSHDSACASA-N -1 1 380.416 0.897 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575237281 948944271 /nfs/dbraw/zinc/94/42/71/948944271.db2.gz DJUYRVDFHXEKHV-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)(C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1c[nH]cn1 ZINC001573771683 948944550 /nfs/dbraw/zinc/94/45/50/948944550.db2.gz KWLHUODHUUUGMB-LLVKDONJSA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574432958 948945072 /nfs/dbraw/zinc/94/50/72/948945072.db2.gz QMKGIYBVRCEHCP-NSHDSACASA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574432958 948945080 /nfs/dbraw/zinc/94/50/80/948945080.db2.gz QMKGIYBVRCEHCP-NSHDSACASA-N -1 1 380.416 0.579 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575237353 948945301 /nfs/dbraw/zinc/94/53/01/948945301.db2.gz FIZDKAQKVMWBPC-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575237353 948945317 /nfs/dbraw/zinc/94/53/17/948945317.db2.gz FIZDKAQKVMWBPC-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433325 948952356 /nfs/dbraw/zinc/95/23/56/948952356.db2.gz UPSDRCPYLMTRIN-LLVKDONJSA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433325 948952368 /nfs/dbraw/zinc/95/23/68/948952368.db2.gz UPSDRCPYLMTRIN-LLVKDONJSA-N -1 1 380.416 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001574433383 948953346 /nfs/dbraw/zinc/95/33/46/948953346.db2.gz XJQMMAHOTMWNEE-ATCWAGBWSA-N -1 1 392.427 0.435 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001574433383 948953357 /nfs/dbraw/zinc/95/33/57/948953357.db2.gz XJQMMAHOTMWNEE-ATCWAGBWSA-N -1 1 392.427 0.435 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574433794 948965103 /nfs/dbraw/zinc/96/51/03/948965103.db2.gz QNFJNZLANBUODN-PHIMTYICSA-N -1 1 382.432 0.887 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574433794 948965116 /nfs/dbraw/zinc/96/51/16/948965116.db2.gz QNFJNZLANBUODN-PHIMTYICSA-N -1 1 382.432 0.887 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1nccnc1-c1nnn[n-]1 ZINC001574924102 948965412 /nfs/dbraw/zinc/96/54/12/948965412.db2.gz VZONTOPTJDUKJY-JTQLQIEISA-N -1 1 390.839 0.761 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1nccnc1-c1nn[n-]n1 ZINC001574924102 948965423 /nfs/dbraw/zinc/96/54/23/948965423.db2.gz VZONTOPTJDUKJY-JTQLQIEISA-N -1 1 390.839 0.761 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574924109 948965869 /nfs/dbraw/zinc/96/58/69/948965869.db2.gz WCTGCHCPFXZTDH-SNVBAGLBSA-N -1 1 390.839 0.538 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574924109 948965876 /nfs/dbraw/zinc/96/58/76/948965876.db2.gz WCTGCHCPFXZTDH-SNVBAGLBSA-N -1 1 390.839 0.538 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCOCC1 ZINC001573773160 948976764 /nfs/dbraw/zinc/97/67/64/948976764.db2.gz ILKBMONWOHEQOC-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCOCC1 ZINC001573773160 948976774 /nfs/dbraw/zinc/97/67/74/948976774.db2.gz ILKBMONWOHEQOC-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573773288 948980967 /nfs/dbraw/zinc/98/09/67/948980967.db2.gz JKDYUURJCWTTQO-ZDUSSCGKSA-N -1 1 379.428 0.724 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573773288 948980976 /nfs/dbraw/zinc/98/09/76/948980976.db2.gz JKDYUURJCWTTQO-ZDUSSCGKSA-N -1 1 379.428 0.724 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001574689526 948987878 /nfs/dbraw/zinc/98/78/78/948987878.db2.gz IAKIWTNMESWFHB-MNOVXSKESA-N -1 1 382.432 0.492 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001574689526 948987889 /nfs/dbraw/zinc/98/78/89/948987889.db2.gz IAKIWTNMESWFHB-MNOVXSKESA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](F)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001575243147 948992936 /nfs/dbraw/zinc/99/29/36/948992936.db2.gz NKVXZDUENHBGEC-YPMHNXCESA-N -1 1 377.424 0.906 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574926301 948992977 /nfs/dbraw/zinc/99/29/77/948992977.db2.gz MZYQRLONXQOMHO-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574926301 948992990 /nfs/dbraw/zinc/99/29/90/948992990.db2.gz MZYQRLONXQOMHO-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM CC(C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435446 948994252 /nfs/dbraw/zinc/99/42/52/948994252.db2.gz VILCOPNEAKWVAL-KRWDZBQOSA-N -1 1 385.432 0.925 20 0 GCADMM CC(C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435446 948994267 /nfs/dbraw/zinc/99/42/67/948994267.db2.gz VILCOPNEAKWVAL-KRWDZBQOSA-N -1 1 385.432 0.925 20 0 GCADMM CC(C)[C@H]1CCCCCN1C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574091052 949002847 /nfs/dbraw/zinc/00/28/47/949002847.db2.gz MQYUKSGAGPJGFE-CYBMUJFWSA-N -1 1 375.433 0.946 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)n1 ZINC001574439538 949010544 /nfs/dbraw/zinc/01/05/44/949010544.db2.gz GWTNMRAOWNQXFV-UHFFFAOYSA-N -1 1 386.420 0.666 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)n1 ZINC001574439538 949010561 /nfs/dbraw/zinc/01/05/61/949010561.db2.gz GWTNMRAOWNQXFV-UHFFFAOYSA-N -1 1 386.420 0.666 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1CCC1 ZINC001573774535 949012932 /nfs/dbraw/zinc/01/29/32/949012932.db2.gz UTXDRFPRFXCEJA-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1CCC1 ZINC001573774535 949012951 /nfs/dbraw/zinc/01/29/51/949012951.db2.gz UTXDRFPRFXCEJA-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574439783 949013256 /nfs/dbraw/zinc/01/32/56/949013256.db2.gz IGXMVMUHJWSQIS-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574439783 949013273 /nfs/dbraw/zinc/01/32/73/949013273.db2.gz IGXMVMUHJWSQIS-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573774520 949014324 /nfs/dbraw/zinc/01/43/24/949014324.db2.gz UBDGGZHLUAGHFC-ZDUSSCGKSA-N -1 1 388.476 0.574 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCO1 ZINC001573774658 949019485 /nfs/dbraw/zinc/01/94/85/949019485.db2.gz PZFWDYNPHRALJR-AAEUAGOBSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCO1 ZINC001573774658 949019502 /nfs/dbraw/zinc/01/95/02/949019502.db2.gz PZFWDYNPHRALJR-AAEUAGOBSA-N -1 1 390.448 0.141 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574691378 949020059 /nfs/dbraw/zinc/02/00/59/949020059.db2.gz WWWVURZJABNFBW-BXUZGUMPSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574691378 949020078 /nfs/dbraw/zinc/02/00/78/949020078.db2.gz WWWVURZJABNFBW-BXUZGUMPSA-N -1 1 380.412 0.967 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573774689 949021025 /nfs/dbraw/zinc/02/10/25/949021025.db2.gz QEHXBKYXQWXVMX-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573774689 949021045 /nfs/dbraw/zinc/02/10/45/949021045.db2.gz QEHXBKYXQWXVMX-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575245455 949022425 /nfs/dbraw/zinc/02/24/25/949022425.db2.gz CBODSIYGKVKMBX-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575245455 949022404 /nfs/dbraw/zinc/02/24/04/949022404.db2.gz CBODSIYGKVKMBX-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575502266 949023956 /nfs/dbraw/zinc/02/39/56/949023956.db2.gz JUPSVSPLCAOZIS-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575502266 949023975 /nfs/dbraw/zinc/02/39/75/949023975.db2.gz JUPSVSPLCAOZIS-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575502209 949024464 /nfs/dbraw/zinc/02/44/64/949024464.db2.gz ISXMCGREQLMWTC-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575502209 949024482 /nfs/dbraw/zinc/02/44/82/949024482.db2.gz ISXMCGREQLMWTC-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574440474 949027829 /nfs/dbraw/zinc/02/78/29/949027829.db2.gz PMCGBYRZGNRPAX-VIFPVBQESA-N -1 1 388.461 0.886 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926965 949029096 /nfs/dbraw/zinc/02/90/96/949029096.db2.gz DNKADNVEESLAIL-ZCFIWIBFSA-N -1 1 384.853 0.419 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574440551 949030198 /nfs/dbraw/zinc/03/01/98/949030198.db2.gz RQYCVILSNQJBKZ-UHFFFAOYSA-N -1 1 386.445 0.594 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574440551 949030217 /nfs/dbraw/zinc/03/02/17/949030217.db2.gz RQYCVILSNQJBKZ-UHFFFAOYSA-N -1 1 386.445 0.594 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574440489 949030255 /nfs/dbraw/zinc/03/02/55/949030255.db2.gz QBUITVLDQGLXNN-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574440489 949030274 /nfs/dbraw/zinc/03/02/74/949030274.db2.gz QBUITVLDQGLXNN-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926931 949031783 /nfs/dbraw/zinc/03/17/83/949031783.db2.gz DCJKMADMYSWKNB-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926931 949031762 /nfs/dbraw/zinc/03/17/62/949031762.db2.gz DCJKMADMYSWKNB-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575502960 949033284 /nfs/dbraw/zinc/03/32/84/949033284.db2.gz MBBNBYGTFRNHJM-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575502960 949033304 /nfs/dbraw/zinc/03/33/04/949033304.db2.gz MBBNBYGTFRNHJM-SDDRHHMPSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574691903 949034064 /nfs/dbraw/zinc/03/40/64/949034064.db2.gz ZIKLUCUONCERTH-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574691903 949034080 /nfs/dbraw/zinc/03/40/80/949034080.db2.gz ZIKLUCUONCERTH-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)(C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573775441 949038531 /nfs/dbraw/zinc/03/85/31/949038531.db2.gz WPUBEPQMYAIBNG-LLVKDONJSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575246593 949038939 /nfs/dbraw/zinc/03/89/39/949038939.db2.gz HBPJIZIWRBWNDJ-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575246593 949038961 /nfs/dbraw/zinc/03/89/61/949038961.db2.gz HBPJIZIWRBWNDJ-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCO1 ZINC001573775466 949039416 /nfs/dbraw/zinc/03/94/16/949039416.db2.gz XDZYNXSUEOGAPE-WCQYABFASA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCO1 ZINC001573775466 949039437 /nfs/dbraw/zinc/03/94/37/949039437.db2.gz XDZYNXSUEOGAPE-WCQYABFASA-N -1 1 390.448 0.141 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574927214 949040547 /nfs/dbraw/zinc/04/05/47/949040547.db2.gz HIANIIACRSQISZ-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574927214 949040529 /nfs/dbraw/zinc/04/05/29/949040529.db2.gz HIANIIACRSQISZ-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574440896 949042305 /nfs/dbraw/zinc/04/23/05/949042305.db2.gz YJNWHNZQNMDFKO-VIFPVBQESA-N -1 1 386.445 0.380 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575247136 949042716 /nfs/dbraw/zinc/04/27/16/949042716.db2.gz IJTAOSMCVHXANV-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575247136 949042696 /nfs/dbraw/zinc/04/26/96/949042696.db2.gz IJTAOSMCVHXANV-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575503492 949046452 /nfs/dbraw/zinc/04/64/52/949046452.db2.gz QDDRSWGSETWDJI-LBPRGKRZSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575503492 949046470 /nfs/dbraw/zinc/04/64/70/949046470.db2.gz QDDRSWGSETWDJI-LBPRGKRZSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575247869 949055585 /nfs/dbraw/zinc/05/55/85/949055585.db2.gz LALNYEGTNHSDNR-JTQLQIEISA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575247869 949055607 /nfs/dbraw/zinc/05/56/07/949055607.db2.gz LALNYEGTNHSDNR-JTQLQIEISA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574092296 949056624 /nfs/dbraw/zinc/05/66/24/949056624.db2.gz NNWSGKHEFVRJID-STQMWFEESA-N -1 1 386.460 0.591 20 0 GCADMM C[C@H](CNC(=O)CN1CCc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574928667 949056975 /nfs/dbraw/zinc/05/69/75/949056975.db2.gz QCHOOEARIDZKNQ-GFCCVEGCSA-N -1 1 379.428 0.636 20 0 GCADMM C[C@H](CNC(=O)CN1CCc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574928667 949056958 /nfs/dbraw/zinc/05/69/58/949056958.db2.gz QCHOOEARIDZKNQ-GFCCVEGCSA-N -1 1 379.428 0.636 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574092456 949057737 /nfs/dbraw/zinc/05/77/37/949057737.db2.gz RJHIBQIDZMLMEZ-QWHCGFSZSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575504046 949057970 /nfs/dbraw/zinc/05/79/70/949057970.db2.gz RAXQRYFYQQALJE-RYUDHWBXSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575504046 949057985 /nfs/dbraw/zinc/05/79/85/949057985.db2.gz RAXQRYFYQQALJE-RYUDHWBXSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575503980 949059929 /nfs/dbraw/zinc/05/99/29/949059929.db2.gz QPVRMRLOEZOCJY-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575503980 949059945 /nfs/dbraw/zinc/05/99/45/949059945.db2.gz QPVRMRLOEZOCJY-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573779431 949059884 /nfs/dbraw/zinc/05/98/84/949059884.db2.gz HTSMEHXGNLRRAT-OAHLLOKOSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573779431 949059899 /nfs/dbraw/zinc/05/98/99/949059899.db2.gz HTSMEHXGNLRRAT-OAHLLOKOSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)c1occc1C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574441500 949061537 /nfs/dbraw/zinc/06/15/37/949061537.db2.gz MTFPXSZOEHDTCC-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM CC(C)c1occc1C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574441500 949061554 /nfs/dbraw/zinc/06/15/54/949061554.db2.gz MTFPXSZOEHDTCC-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574092458 949062169 /nfs/dbraw/zinc/06/21/69/949062169.db2.gz RJHIBQIDZMLMEZ-STQMWFEESA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574694257 949067186 /nfs/dbraw/zinc/06/71/86/949067186.db2.gz MFTHQCBRNSNUNY-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574694257 949067199 /nfs/dbraw/zinc/06/71/99/949067199.db2.gz MFTHQCBRNSNUNY-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cn1cncn1 ZINC001574694108 949070505 /nfs/dbraw/zinc/07/05/05/949070505.db2.gz LBHBZQHJLLNLNR-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cn1cncn1 ZINC001574694108 949070524 /nfs/dbraw/zinc/07/05/24/949070524.db2.gz LBHBZQHJLLNLNR-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574092606 949071920 /nfs/dbraw/zinc/07/19/20/949071920.db2.gz OYAVFQWPGHNFHH-QWHCGFSZSA-N -1 1 386.460 0.448 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575504445 949073551 /nfs/dbraw/zinc/07/35/51/949073551.db2.gz UOQYICSBSMSWLD-VXGBXAGGSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575504445 949073573 /nfs/dbraw/zinc/07/35/73/949073573.db2.gz UOQYICSBSMSWLD-VXGBXAGGSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](CNC(=O)CN1CCOCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574929110 949075141 /nfs/dbraw/zinc/07/51/41/949075141.db2.gz YOTSDNPMCDIMLC-QMMMGPOBSA-N -1 1 386.869 0.225 20 0 GCADMM C[C@@H](CNC(=O)CN1CCOCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574929110 949075160 /nfs/dbraw/zinc/07/51/60/949075160.db2.gz YOTSDNPMCDIMLC-QMMMGPOBSA-N -1 1 386.869 0.225 20 0 GCADMM C[C@H](CCc1ccc2c(c1)OCO2)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001574694508 949076817 /nfs/dbraw/zinc/07/68/17/949076817.db2.gz QGQFGSLNDCFWLN-SECBINFHSA-N -1 1 385.384 0.828 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(F)F ZINC001573780195 949080415 /nfs/dbraw/zinc/08/04/15/949080415.db2.gz SCWMFFWZGNJPNL-OWUUHHOZSA-N -1 1 378.387 0.746 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(F)F ZINC001573780195 949080435 /nfs/dbraw/zinc/08/04/35/949080435.db2.gz SCWMFFWZGNJPNL-OWUUHHOZSA-N -1 1 378.387 0.746 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574092814 949080541 /nfs/dbraw/zinc/08/05/41/949080541.db2.gz SVVPGKRUDZCLQB-CHWSQXEVSA-N -1 1 376.486 0.883 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574929198 949080868 /nfs/dbraw/zinc/08/08/68/949080868.db2.gz ARZFELNGGPHFKL-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574929198 949080887 /nfs/dbraw/zinc/08/08/87/949080887.db2.gz ARZFELNGGPHFKL-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](Sc1nc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cs1)C(N)=O ZINC001575504711 949083515 /nfs/dbraw/zinc/08/35/15/949083515.db2.gz WOVJEQLUTYJHPM-LURJTMIESA-N -1 1 393.458 0.204 20 0 GCADMM C[C@H](Sc1nc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cs1)C(N)=O ZINC001575504711 949083535 /nfs/dbraw/zinc/08/35/35/949083535.db2.gz WOVJEQLUTYJHPM-LURJTMIESA-N -1 1 393.458 0.204 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575504732 949085215 /nfs/dbraw/zinc/08/52/15/949085215.db2.gz WXHURRCQWGBMRA-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575504732 949085234 /nfs/dbraw/zinc/08/52/34/949085234.db2.gz WXHURRCQWGBMRA-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H](C)NC(N)=O ZINC001574694711 949091504 /nfs/dbraw/zinc/09/15/04/949091504.db2.gz UYJUPGSRSCLIDQ-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H](C)NC(N)=O ZINC001574694711 949091522 /nfs/dbraw/zinc/09/15/22/949091522.db2.gz UYJUPGSRSCLIDQ-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575504919 949093163 /nfs/dbraw/zinc/09/31/63/949093163.db2.gz YZKCEUCPLLXLRF-GFCCVEGCSA-N -1 1 383.416 0.462 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575504919 949093180 /nfs/dbraw/zinc/09/31/80/949093180.db2.gz YZKCEUCPLLXLRF-GFCCVEGCSA-N -1 1 383.416 0.462 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249261 949094913 /nfs/dbraw/zinc/09/49/13/949094913.db2.gz YOPJQXCEOTZIMU-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249261 949094934 /nfs/dbraw/zinc/09/49/34/949094934.db2.gz YOPJQXCEOTZIMU-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574442362 949097630 /nfs/dbraw/zinc/09/76/30/949097630.db2.gz MVAZIKZXETXKTM-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574442362 949097652 /nfs/dbraw/zinc/09/76/52/949097652.db2.gz MVAZIKZXETXKTM-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574442462 949098674 /nfs/dbraw/zinc/09/86/74/949098674.db2.gz PQGQLULMOZKAKH-LBPRGKRZSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575249652 949102997 /nfs/dbraw/zinc/10/29/97/949102997.db2.gz ZSZNVXWQZQALTR-WDEREUQCSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575249652 949102990 /nfs/dbraw/zinc/10/29/90/949102990.db2.gz ZSZNVXWQZQALTR-WDEREUQCSA-N -1 1 389.464 0.148 20 0 GCADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574443175 949105319 /nfs/dbraw/zinc/10/53/19/949105319.db2.gz VQRMHQGXTLCFJT-ZYHUDNBSSA-N -1 1 383.416 0.763 20 0 GCADMM CC(C)c1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001574443441 949106976 /nfs/dbraw/zinc/10/69/76/949106976.db2.gz YHKGKWGXMJTQPS-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1nocc1C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001574443234 949107311 /nfs/dbraw/zinc/10/73/11/949107311.db2.gz WGKHSNAXVJPBCJ-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1nocc1C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001574443234 949107329 /nfs/dbraw/zinc/10/73/29/949107329.db2.gz WGKHSNAXVJPBCJ-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001574695352 949107734 /nfs/dbraw/zinc/10/77/34/949107734.db2.gz GCXFNDMLLGBYRZ-GTNSWQLSSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001574695352 949107745 /nfs/dbraw/zinc/10/77/45/949107745.db2.gz GCXFNDMLLGBYRZ-GTNSWQLSSA-N -1 1 387.448 0.412 20 0 GCADMM CC(C)[C@H]1C[C@@H](CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574093558 949109857 /nfs/dbraw/zinc/10/98/57/949109857.db2.gz SSOZHFOUDYBDRH-WCQYABFASA-N -1 1 391.432 0.087 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncc2n1CCCC2 ZINC001574695835 949116531 /nfs/dbraw/zinc/11/65/31/949116531.db2.gz KJVULFFZPGNDJC-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncc2n1CCCC2 ZINC001574695835 949116545 /nfs/dbraw/zinc/11/65/45/949116545.db2.gz KJVULFFZPGNDJC-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573782345 949120591 /nfs/dbraw/zinc/12/05/91/949120591.db2.gz SIHXLWVLZDYPJI-SECBINFHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn(C(F)F)n1 ZINC001574696381 949129095 /nfs/dbraw/zinc/12/90/95/949129095.db2.gz PEOPXAXYKFALMI-QMMMGPOBSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn(C(F)F)n1 ZINC001574696381 949129118 /nfs/dbraw/zinc/12/91/18/949129118.db2.gz PEOPXAXYKFALMI-QMMMGPOBSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575251205 949135510 /nfs/dbraw/zinc/13/55/10/949135510.db2.gz MCDOJZREPIPEII-GMTAPVOTSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575251205 949135521 /nfs/dbraw/zinc/13/55/21/949135521.db2.gz MCDOJZREPIPEII-GMTAPVOTSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc2nc[nH]c2n1 ZINC001574696639 949139365 /nfs/dbraw/zinc/13/93/65/949139365.db2.gz STFREYSUDVCWPP-VIFPVBQESA-N -1 1 379.388 0.549 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc2nc[nH]c2n1 ZINC001574696639 949139377 /nfs/dbraw/zinc/13/93/77/949139377.db2.gz STFREYSUDVCWPP-VIFPVBQESA-N -1 1 379.388 0.549 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COC[C@@H]1CCCO1 ZINC001574696786 949139459 /nfs/dbraw/zinc/13/94/59/949139459.db2.gz UKTKXPWZPXTNEA-NEPJUHHUSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COC[C@@H]1CCCO1 ZINC001574696786 949139463 /nfs/dbraw/zinc/13/94/63/949139463.db2.gz UKTKXPWZPXTNEA-NEPJUHHUSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001574696803 949140606 /nfs/dbraw/zinc/14/06/06/949140606.db2.gz UQUARHVKQJTMJC-YUMQZZPRSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001574696803 949140624 /nfs/dbraw/zinc/14/06/24/949140624.db2.gz UQUARHVKQJTMJC-YUMQZZPRSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(F)F)n(C)n1 ZINC001574697078 949149318 /nfs/dbraw/zinc/14/93/18/949149318.db2.gz YJHJZSBOIMGHSW-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(F)F)n(C)n1 ZINC001574697078 949149332 /nfs/dbraw/zinc/14/93/32/949149332.db2.gz YJHJZSBOIMGHSW-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001573786861 949150400 /nfs/dbraw/zinc/15/04/00/949150400.db2.gz GKLYCMBTDKIOAQ-MBTKJCJQSA-N -1 1 382.350 0.796 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001574447089 949151065 /nfs/dbraw/zinc/15/10/65/949151065.db2.gz FUZNULJFEMEIDW-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001574447089 949151070 /nfs/dbraw/zinc/15/10/70/949151070.db2.gz FUZNULJFEMEIDW-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574697189 949152406 /nfs/dbraw/zinc/15/24/06/949152406.db2.gz ZTOHOVBGOWCUEB-WCFLWFBJSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574697189 949152418 /nfs/dbraw/zinc/15/24/18/949152418.db2.gz ZTOHOVBGOWCUEB-WCFLWFBJSA-N -1 1 382.432 0.501 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC001574095860 949156018 /nfs/dbraw/zinc/15/60/18/949156018.db2.gz ZOQCOSGIZICJJX-DZGCQCFKSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC001574095860 949156031 /nfs/dbraw/zinc/15/60/31/949156031.db2.gz ZOQCOSGIZICJJX-DZGCQCFKSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574934394 949161096 /nfs/dbraw/zinc/16/10/96/949161096.db2.gz HDHLYNDESJKZJF-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574934394 949161109 /nfs/dbraw/zinc/16/11/09/949161109.db2.gz HDHLYNDESJKZJF-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1nccs1 ZINC001573787146 949166472 /nfs/dbraw/zinc/16/64/72/949166472.db2.gz NHOHUAYAQVXCOG-UHFFFAOYSA-N -1 1 389.445 0.799 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1nccs1 ZINC001573787146 949166494 /nfs/dbraw/zinc/16/64/94/949166494.db2.gz NHOHUAYAQVXCOG-UHFFFAOYSA-N -1 1 389.445 0.799 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C1CCCC1 ZINC001573787242 949170160 /nfs/dbraw/zinc/17/01/60/949170160.db2.gz ROZKVYRTGNVXSS-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574448007 949174802 /nfs/dbraw/zinc/17/48/02/949174802.db2.gz BDULJELCKFEICH-LLVKDONJSA-N -1 1 383.416 0.907 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698187 949179629 /nfs/dbraw/zinc/17/96/29/949179629.db2.gz HBCNAJLPCTYSHZ-CHWSQXEVSA-N -1 1 382.428 0.805 20 0 GCADMM CC(C)c1oncc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574448202 949183524 /nfs/dbraw/zinc/18/35/24/949183524.db2.gz GAISEEWYQFBUEW-NSHDSACASA-N -1 1 383.416 0.764 20 0 GCADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001573787551 949183751 /nfs/dbraw/zinc/18/37/51/949183751.db2.gz WEAVHUYKJDJVNS-BETUJISGSA-N -1 1 386.460 0.591 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574448403 949188001 /nfs/dbraw/zinc/18/80/01/949188001.db2.gz KONQLYONWFJRJK-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574448403 949188013 /nfs/dbraw/zinc/18/80/13/949188013.db2.gz KONQLYONWFJRJK-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574934974 949188597 /nfs/dbraw/zinc/18/85/97/949188597.db2.gz WELCQNVGKYTHMP-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574934974 949188610 /nfs/dbraw/zinc/18/86/10/949188610.db2.gz WELCQNVGKYTHMP-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698520 949196490 /nfs/dbraw/zinc/19/64/90/949196490.db2.gz MGOINIQTWSGREH-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698520 949196500 /nfs/dbraw/zinc/19/65/00/949196500.db2.gz MGOINIQTWSGREH-VXGBXAGGSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698469 949196710 /nfs/dbraw/zinc/19/67/10/949196710.db2.gz LIXUUCBRDGAUNH-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698469 949196722 /nfs/dbraw/zinc/19/67/22/949196722.db2.gz LIXUUCBRDGAUNH-RYUDHWBXSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574935111 949197309 /nfs/dbraw/zinc/19/73/09/949197309.db2.gz ZICUJRZYEJCODA-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574935111 949197323 /nfs/dbraw/zinc/19/73/23/949197323.db2.gz ZICUJRZYEJCODA-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)(C(N)=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573788524 949200762 /nfs/dbraw/zinc/20/07/62/949200762.db2.gz LGKDZPJSWOZKJH-UHFFFAOYSA-N -1 1 378.462 0.019 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574449860 949202537 /nfs/dbraw/zinc/20/25/37/949202537.db2.gz TXGGAYYVXCUIJQ-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574449860 949202555 /nfs/dbraw/zinc/20/25/55/949202555.db2.gz TXGGAYYVXCUIJQ-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001575853285 949207228 /nfs/dbraw/zinc/20/72/28/949207228.db2.gz OPQPGHCIYDZUIP-LLVKDONJSA-N -1 1 386.416 0.403 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001575853285 949207257 /nfs/dbraw/zinc/20/72/57/949207257.db2.gz OPQPGHCIYDZUIP-LLVKDONJSA-N -1 1 386.416 0.403 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574102893 949212049 /nfs/dbraw/zinc/21/20/49/949212049.db2.gz FSUCTUXCPAVGGK-FZKQIMNGSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575254700 949212029 /nfs/dbraw/zinc/21/20/29/949212029.db2.gz ODJHBLMWFLMJLO-RYUDHWBXSA-N -1 1 379.428 0.511 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2cnccc12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574936133 949211939 /nfs/dbraw/zinc/21/19/39/949211939.db2.gz HOWPUQYMDJCRHL-LLVKDONJSA-N -1 1 392.427 0.362 20 0 GCADMM CC(C)(C(N)=O)C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573788796 949215913 /nfs/dbraw/zinc/21/59/13/949215913.db2.gz XZJKCHASRFKIGN-LURJTMIESA-N -1 1 384.853 0.501 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)Cc2cscn2)CC1 ZINC001575853882 949219330 /nfs/dbraw/zinc/21/93/30/949219330.db2.gz OHLAROZODXRWCR-UHFFFAOYSA-N -1 1 385.457 0.571 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CCn2ccnc2)CC1 ZINC001575853610 949219580 /nfs/dbraw/zinc/21/95/80/949219580.db2.gz VODVSEGPJKBMKZ-UHFFFAOYSA-N -1 1 382.432 0.737 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CCn2ccnc2)CC1 ZINC001575853610 949219601 /nfs/dbraw/zinc/21/96/01/949219601.db2.gz VODVSEGPJKBMKZ-UHFFFAOYSA-N -1 1 382.432 0.737 20 0 GCADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001575853983 949222526 /nfs/dbraw/zinc/22/25/26/949222526.db2.gz PWZRGHPRFKXZCR-GFCCVEGCSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001575853983 949222549 /nfs/dbraw/zinc/22/25/49/949222549.db2.gz PWZRGHPRFKXZCR-GFCCVEGCSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001575853955 949223513 /nfs/dbraw/zinc/22/35/13/949223513.db2.gz PJFIOXCEABDKBT-UPJWGTAASA-N -1 1 384.444 0.439 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698993 949225366 /nfs/dbraw/zinc/22/53/66/949225366.db2.gz QYFVVCCYAGWORT-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698993 949225380 /nfs/dbraw/zinc/22/53/80/949225380.db2.gz QYFVVCCYAGWORT-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H]1CCC[C@@]1(C)C(=O)N(C)CCOCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576151533 949226342 /nfs/dbraw/zinc/22/63/42/949226342.db2.gz GGYQKACMGLEMAD-SCLBCKFNSA-N -1 1 388.476 0.792 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574937783 949230272 /nfs/dbraw/zinc/23/02/72/949230272.db2.gz QNELXJDBERCFPX-JTQLQIEISA-N -1 1 383.416 0.929 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574937783 949230287 /nfs/dbraw/zinc/23/02/87/949230287.db2.gz QNELXJDBERCFPX-JTQLQIEISA-N -1 1 383.416 0.929 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575255349 949232087 /nfs/dbraw/zinc/23/20/87/949232087.db2.gz ZGLYCJCFALXBPI-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575255349 949232106 /nfs/dbraw/zinc/23/21/06/949232106.db2.gz ZGLYCJCFALXBPI-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576151905 949235695 /nfs/dbraw/zinc/23/56/95/949235695.db2.gz GRJCJCUGRHZMKB-FQUUOJAGSA-N -1 1 386.460 0.733 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574103364 949241614 /nfs/dbraw/zinc/24/16/14/949241614.db2.gz QTQMWCIEANXMRP-UGSOOPFHSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574103364 949241630 /nfs/dbraw/zinc/24/16/30/949241630.db2.gz QTQMWCIEANXMRP-UGSOOPFHSA-N -1 1 386.460 0.899 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001575855930 949242994 /nfs/dbraw/zinc/24/29/94/949242994.db2.gz BSNFCRFGDZDZOT-GFCCVEGCSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001575855930 949243013 /nfs/dbraw/zinc/24/30/13/949243013.db2.gz BSNFCRFGDZDZOT-GFCCVEGCSA-N -1 1 388.432 0.255 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574699797 949248730 /nfs/dbraw/zinc/24/87/30/949248730.db2.gz XCNBYKICXCQETM-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574699797 949248751 /nfs/dbraw/zinc/24/87/51/949248751.db2.gz XCNBYKICXCQETM-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)n1cc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001574452014 949251345 /nfs/dbraw/zinc/25/13/45/949251345.db2.gz FGNIQBYDXWTPQS-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001574452014 949251363 /nfs/dbraw/zinc/25/13/63/949251363.db2.gz FGNIQBYDXWTPQS-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCn2ccnn2)CC1 ZINC001575856617 949253987 /nfs/dbraw/zinc/25/39/87/949253987.db2.gz IQDGKRSHWPATTM-UHFFFAOYSA-N -1 1 383.420 0.132 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCn2ccnn2)CC1 ZINC001575856617 949254006 /nfs/dbraw/zinc/25/40/06/949254006.db2.gz IQDGKRSHWPATTM-UHFFFAOYSA-N -1 1 383.420 0.132 20 0 GCADMM CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452868 949269050 /nfs/dbraw/zinc/26/90/50/949269050.db2.gz OYBFTMMWJOLOQF-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1cc(Br)c(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001574452984 949275559 /nfs/dbraw/zinc/27/55/59/949275559.db2.gz UKTIYPWYRVFAJZ-UHFFFAOYSA-N -1 1 395.225 0.428 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940943 949286014 /nfs/dbraw/zinc/28/60/14/949286014.db2.gz MSLSFAIIENIMLJ-NSHDSACASA-N -1 1 380.412 0.751 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940943 949286034 /nfs/dbraw/zinc/28/60/34/949286034.db2.gz MSLSFAIIENIMLJ-NSHDSACASA-N -1 1 380.412 0.751 20 0 GCADMM CC(C)n1cc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574453205 949286476 /nfs/dbraw/zinc/28/64/76/949286476.db2.gz ZLAVXRGVAJYIDW-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)Cc1cn(C)c2ccccc12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941177 949294830 /nfs/dbraw/zinc/29/48/30/949294830.db2.gz BLAHUGHJMITPFM-LBPRGKRZSA-N -1 1 391.439 0.730 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575258448 949301756 /nfs/dbraw/zinc/30/17/56/949301756.db2.gz HRCIHGNQPGOREG-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575258448 949301781 /nfs/dbraw/zinc/30/17/81/949301781.db2.gz HRCIHGNQPGOREG-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573793565 949303124 /nfs/dbraw/zinc/30/31/24/949303124.db2.gz VDCQWDCMFRQPCY-VOJFVSQTSA-N -1 1 384.444 0.747 20 0 GCADMM CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573793565 949303149 /nfs/dbraw/zinc/30/31/49/949303149.db2.gz VDCQWDCMFRQPCY-VOJFVSQTSA-N -1 1 384.444 0.747 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)cn1 ZINC001574455766 949308609 /nfs/dbraw/zinc/30/86/09/949308609.db2.gz XFAQKJWSORUTGK-IMRBUKKESA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)cn1 ZINC001574455799 949316094 /nfs/dbraw/zinc/31/60/94/949316094.db2.gz ZGTZISGLMBSMJR-YPMHNXCESA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)cn1 ZINC001574455799 949316118 /nfs/dbraw/zinc/31/61/18/949316118.db2.gz ZGTZISGLMBSMJR-YPMHNXCESA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457234 949318670 /nfs/dbraw/zinc/31/86/70/949318670.db2.gz CXNMCETUYPEWGK-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573794709 949318986 /nfs/dbraw/zinc/31/89/86/949318986.db2.gz HXWWUIRBLUHDLM-JTQLQIEISA-N -1 1 379.446 0.213 20 0 GCADMM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573794709 949319005 /nfs/dbraw/zinc/31/90/05/949319005.db2.gz HXWWUIRBLUHDLM-JTQLQIEISA-N -1 1 379.446 0.213 20 0 GCADMM CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001573795289 949322431 /nfs/dbraw/zinc/32/24/31/949322431.db2.gz LLNFTUFIIYVTFU-JTQLQIEISA-N -1 1 388.432 0.679 20 0 GCADMM CC(C)CC(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001574109707 949327628 /nfs/dbraw/zinc/32/76/28/949327628.db2.gz ANIOTPJPROHZHI-AWEZNQCLSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574109894 949340551 /nfs/dbraw/zinc/34/05/51/949340551.db2.gz IOVMAXXYXIUIMW-NXEZZACHSA-N -1 1 384.366 0.926 20 0 GCADMM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573796951 949344319 /nfs/dbraw/zinc/34/43/19/949344319.db2.gz YBQQEMRIFCLRPN-LLVKDONJSA-N -1 1 378.458 0.818 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574458822 949345468 /nfs/dbraw/zinc/34/54/68/949345468.db2.gz ZCTWOOQQLFLKHD-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574458822 949345489 /nfs/dbraw/zinc/34/54/89/949345489.db2.gz ZCTWOOQQLFLKHD-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703729 949346185 /nfs/dbraw/zinc/34/61/85/949346185.db2.gz XIPDYOFEPRBBKJ-GFCCVEGCSA-N -1 1 379.428 0.464 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574459336 949350868 /nfs/dbraw/zinc/35/08/68/949350868.db2.gz BBJYBCCEAZUKKV-ARJAWSKDSA-N -1 1 382.432 0.761 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574459336 949350893 /nfs/dbraw/zinc/35/08/93/949350893.db2.gz BBJYBCCEAZUKKV-ARJAWSKDSA-N -1 1 382.432 0.761 20 0 GCADMM C[C@@H]1CCC[C@@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001576154585 949351573 /nfs/dbraw/zinc/35/15/73/949351573.db2.gz QDXYLZUVDCMDSW-GHMZBOCLSA-N -1 1 376.421 0.397 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574459368 949352987 /nfs/dbraw/zinc/35/29/87/949352987.db2.gz CJGYLWQEDHQHGS-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574459368 949353009 /nfs/dbraw/zinc/35/30/09/949353009.db2.gz CJGYLWQEDHQHGS-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)n1 ZINC001574459364 949353381 /nfs/dbraw/zinc/35/33/81/949353381.db2.gz BZSXRAXSJOYBNZ-UHFFFAOYSA-N -1 1 384.448 0.571 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)n1 ZINC001574459364 949353403 /nfs/dbraw/zinc/35/34/03/949353403.db2.gz BZSXRAXSJOYBNZ-UHFFFAOYSA-N -1 1 384.448 0.571 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573798829 949359134 /nfs/dbraw/zinc/35/91/34/949359134.db2.gz HVGWCNJRAIZWJF-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573798829 949359156 /nfs/dbraw/zinc/35/91/56/949359156.db2.gz HVGWCNJRAIZWJF-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575260632 949359457 /nfs/dbraw/zinc/35/94/57/949359457.db2.gz WPPJXTOLCICJOP-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575260632 949359477 /nfs/dbraw/zinc/35/94/77/949359477.db2.gz WPPJXTOLCICJOP-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573799053 949362146 /nfs/dbraw/zinc/36/21/46/949362146.db2.gz JGIBCNKPNNTROU-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573799053 949362170 /nfs/dbraw/zinc/36/21/70/949362170.db2.gz JGIBCNKPNNTROU-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574459509 949362298 /nfs/dbraw/zinc/36/22/98/949362298.db2.gz IOHYQGXLFFKUEB-LBPRGKRZSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574459509 949362317 /nfs/dbraw/zinc/36/23/17/949362317.db2.gz IOHYQGXLFFKUEB-LBPRGKRZSA-N -1 1 385.432 0.584 20 0 GCADMM CC1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575526214 949363444 /nfs/dbraw/zinc/36/34/44/949363444.db2.gz WBSZJOWNNUBPOR-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM CC1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575526214 949363466 /nfs/dbraw/zinc/36/34/66/949363466.db2.gz WBSZJOWNNUBPOR-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM C[C@H](CNC(=O)Cc1cc[nH]n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942695 949366913 /nfs/dbraw/zinc/36/69/13/949366913.db2.gz REZXEASBWAXRNB-SSDOTTSWSA-N -1 1 381.853 0.883 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)n1 ZINC001574460131 949368028 /nfs/dbraw/zinc/36/80/28/949368028.db2.gz PNBMKOVIWZQEMV-XBFCOCLRSA-N -1 1 394.443 0.974 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)n1 ZINC001574460131 949368047 /nfs/dbraw/zinc/36/80/47/949368047.db2.gz PNBMKOVIWZQEMV-XBFCOCLRSA-N -1 1 394.443 0.974 20 0 GCADMM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574942958 949371346 /nfs/dbraw/zinc/37/13/46/949371346.db2.gz UCLQEQHEIYSPBW-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574942958 949371363 /nfs/dbraw/zinc/37/13/63/949371363.db2.gz UCLQEQHEIYSPBW-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001574460161 949371966 /nfs/dbraw/zinc/37/19/66/949371966.db2.gz REPMRKGPJVXQNM-OCCSQVGLSA-N -1 1 396.459 0.760 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575261026 949372421 /nfs/dbraw/zinc/37/24/21/949372421.db2.gz ZRVUERQNDYOUCJ-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575261026 949372443 /nfs/dbraw/zinc/37/24/43/949372443.db2.gz ZRVUERQNDYOUCJ-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001574460649 949375800 /nfs/dbraw/zinc/37/58/00/949375800.db2.gz VQMNTBFAYASQPB-UHFFFAOYSA-N -1 1 382.432 0.325 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001574460649 949375807 /nfs/dbraw/zinc/37/58/07/949375807.db2.gz VQMNTBFAYASQPB-UHFFFAOYSA-N -1 1 382.432 0.325 20 0 GCADMM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574943370 949376190 /nfs/dbraw/zinc/37/61/90/949376190.db2.gz WSXAVCRKWMGIEW-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574460679 949378025 /nfs/dbraw/zinc/37/80/25/949378025.db2.gz XCHKHPNTPFSKOV-GFCCVEGCSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574460679 949378048 /nfs/dbraw/zinc/37/80/48/949378048.db2.gz XCHKHPNTPFSKOV-GFCCVEGCSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574460950 949380593 /nfs/dbraw/zinc/38/05/93/949380593.db2.gz ZNMVIWVCMZSXCX-CYBMUJFWSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574460950 949380614 /nfs/dbraw/zinc/38/06/14/949380614.db2.gz ZNMVIWVCMZSXCX-CYBMUJFWSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574463812 949381263 /nfs/dbraw/zinc/38/12/63/949381263.db2.gz BLHBALCJSFTEFY-DGCLKSJQSA-N -1 1 383.416 0.019 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573799681 949381598 /nfs/dbraw/zinc/38/15/98/949381598.db2.gz PIUIUALOXOHNEK-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573799681 949381618 /nfs/dbraw/zinc/38/16/18/949381618.db2.gz PIUIUALOXOHNEK-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574943795 949381982 /nfs/dbraw/zinc/38/19/82/949381982.db2.gz YPQMQZAEPUSTCU-GFCCVEGCSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574943795 949382001 /nfs/dbraw/zinc/38/20/01/949382001.db2.gz YPQMQZAEPUSTCU-GFCCVEGCSA-N -1 1 384.448 0.618 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575263070 949387788 /nfs/dbraw/zinc/38/77/88/949387788.db2.gz DGZYXRPLLJEALE-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575263070 949387805 /nfs/dbraw/zinc/38/78/05/949387805.db2.gz DGZYXRPLLJEALE-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573800295 949390096 /nfs/dbraw/zinc/39/00/96/949390096.db2.gz WVQZOYBPLWJBFC-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573800295 949390121 /nfs/dbraw/zinc/39/01/21/949390121.db2.gz WVQZOYBPLWJBFC-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575528402 949400989 /nfs/dbraw/zinc/40/09/89/949400989.db2.gz VBOUEGRWOZCFOH-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575528402 949400998 /nfs/dbraw/zinc/40/09/98/949400998.db2.gz VBOUEGRWOZCFOH-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574464300 949405391 /nfs/dbraw/zinc/40/53/91/949405391.db2.gz JGRRPFGJNZDQJJ-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001574464261 949407046 /nfs/dbraw/zinc/40/70/46/949407046.db2.gz IAEVWTHPUKJQFG-DGCLKSJQSA-N -1 1 383.416 0.019 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001574464261 949407081 /nfs/dbraw/zinc/40/70/81/949407081.db2.gz IAEVWTHPUKJQFG-DGCLKSJQSA-N -1 1 383.416 0.019 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575528673 949408115 /nfs/dbraw/zinc/40/81/15/949408115.db2.gz ZJKYQUYOAFGFEF-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C(=O)N2CC[C@H](N3CCN(c4cncc(-c5nnn[n-]5)n4)CC3)C2)CC1 ZINC001575532823 949408198 /nfs/dbraw/zinc/40/81/98/949408198.db2.gz ADKGEKGUESBTOG-ZDUSSCGKSA-N -1 1 383.460 0.180 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573802040 949408617 /nfs/dbraw/zinc/40/86/17/949408617.db2.gz CNLMJKOTFULVCU-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573802040 949408628 /nfs/dbraw/zinc/40/86/28/949408628.db2.gz CNLMJKOTFULVCU-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001574464386 949410889 /nfs/dbraw/zinc/41/08/89/949410889.db2.gz NIXMKNAEYSJXCN-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001574464386 949410905 /nfs/dbraw/zinc/41/09/05/949410905.db2.gz NIXMKNAEYSJXCN-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573802161 949411604 /nfs/dbraw/zinc/41/16/04/949411604.db2.gz FIESTQWZGFWIFQ-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573802161 949411611 /nfs/dbraw/zinc/41/16/11/949411611.db2.gz FIESTQWZGFWIFQ-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC1(C(=O)N2CCC(N(CCO)c3ccnc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001575532900 949412424 /nfs/dbraw/zinc/41/24/24/949412424.db2.gz CJXXVSZVBCZCDS-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574464379 949412826 /nfs/dbraw/zinc/41/28/26/949412826.db2.gz MOGYYETUYSCBHI-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574464379 949412842 /nfs/dbraw/zinc/41/28/42/949412842.db2.gz MOGYYETUYSCBHI-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866879 949425052 /nfs/dbraw/zinc/42/50/52/949425052.db2.gz IJCPLXDIWSMWQG-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866879 949425065 /nfs/dbraw/zinc/42/50/65/949425065.db2.gz IJCPLXDIWSMWQG-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575264345 949426591 /nfs/dbraw/zinc/42/65/91/949426591.db2.gz NSWZEBLOUBUTLJ-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575264345 949426605 /nfs/dbraw/zinc/42/66/05/949426605.db2.gz NSWZEBLOUBUTLJ-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573803177 949434610 /nfs/dbraw/zinc/43/46/10/949434610.db2.gz NANVZFDFTZQEHX-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573803177 949434624 /nfs/dbraw/zinc/43/46/24/949434624.db2.gz NANVZFDFTZQEHX-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575264796 949435057 /nfs/dbraw/zinc/43/50/57/949435057.db2.gz QODRBXJDFNOUAC-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574465546 949437230 /nfs/dbraw/zinc/43/72/30/949437230.db2.gz ZZSMPZHEIHOJIC-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573803402 949443453 /nfs/dbraw/zinc/44/34/53/949443453.db2.gz OFOVTLKKPNNDDF-PHIMTYICSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573803402 949443465 /nfs/dbraw/zinc/44/34/65/949443465.db2.gz OFOVTLKKPNNDDF-PHIMTYICSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574948278 949457074 /nfs/dbraw/zinc/45/70/74/949457074.db2.gz HLFWCOINMFGCPG-VIFPVBQESA-N -1 1 376.812 0.371 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574948278 949457087 /nfs/dbraw/zinc/45/70/87/949457087.db2.gz HLFWCOINMFGCPG-VIFPVBQESA-N -1 1 376.812 0.371 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575265903 949461725 /nfs/dbraw/zinc/46/17/25/949461725.db2.gz VWGNTETXTKFVRU-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575265903 949461739 /nfs/dbraw/zinc/46/17/39/949461739.db2.gz VWGNTETXTKFVRU-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccnc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574948396 949461853 /nfs/dbraw/zinc/46/18/53/949461853.db2.gz IMZWTAKTLJJKLH-QMMMGPOBSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@H](CNC(=O)Cn1ccnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574948347 949462117 /nfs/dbraw/zinc/46/21/17/949462117.db2.gz IFRNBPZJWRVTAX-MRVPVSSYSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@H](CNC(=O)Cn1ccnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574948347 949462133 /nfs/dbraw/zinc/46/21/33/949462133.db2.gz IFRNBPZJWRVTAX-MRVPVSSYSA-N -1 1 381.853 0.814 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573804332 949467479 /nfs/dbraw/zinc/46/74/79/949467479.db2.gz UPMFHUYAVYKYAW-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573804332 949467488 /nfs/dbraw/zinc/46/74/88/949467488.db2.gz UPMFHUYAVYKYAW-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574469120 949471300 /nfs/dbraw/zinc/47/13/00/949471300.db2.gz WWVCISHLXHLPAQ-GFCCVEGCSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1ncc2cc(NC(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)cnc21 ZINC001574468887 949471616 /nfs/dbraw/zinc/47/16/16/949471616.db2.gz UULZGAZHEPZONW-UHFFFAOYSA-N -1 1 396.371 0.093 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574948989 949476711 /nfs/dbraw/zinc/47/67/11/949476711.db2.gz PEEUETLVEKWBPU-ZETCQYMHSA-N -1 1 382.841 0.209 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574948989 949476719 /nfs/dbraw/zinc/47/67/19/949476719.db2.gz PEEUETLVEKWBPU-ZETCQYMHSA-N -1 1 382.841 0.209 20 0 GCADMM C[C@@H]1CCC[C@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H]1C ZINC001576157265 949478470 /nfs/dbraw/zinc/47/84/70/949478470.db2.gz ZVKJSIBJBFCDAN-GRYCIOLGSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949105 949482209 /nfs/dbraw/zinc/48/22/09/949482209.db2.gz QSHVKLWNXBEKBK-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574469388 949483163 /nfs/dbraw/zinc/48/31/63/949483163.db2.gz CRQDBKKCSLYPND-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574469388 949483180 /nfs/dbraw/zinc/48/31/80/949483180.db2.gz CRQDBKKCSLYPND-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575870288 949485929 /nfs/dbraw/zinc/48/59/29/949485929.db2.gz UHMSSIUAVORNLR-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575870288 949485941 /nfs/dbraw/zinc/48/59/41/949485941.db2.gz UHMSSIUAVORNLR-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574469826 949486968 /nfs/dbraw/zinc/48/69/68/949486968.db2.gz HSSNGODCPVCJKL-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574469826 949486977 /nfs/dbraw/zinc/48/69/77/949486977.db2.gz HSSNGODCPVCJKL-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574119782 949502907 /nfs/dbraw/zinc/50/29/07/949502907.db2.gz JFUPDMNCXQNRPN-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574119782 949502930 /nfs/dbraw/zinc/50/29/30/949502930.db2.gz JFUPDMNCXQNRPN-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575267388 949504193 /nfs/dbraw/zinc/50/41/93/949504193.db2.gz IPLCTGULMNEORF-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575267388 949504209 /nfs/dbraw/zinc/50/42/09/949504209.db2.gz IPLCTGULMNEORF-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574120854 949505523 /nfs/dbraw/zinc/50/55/23/949505523.db2.gz NHEXUCLOJGVUKS-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574120854 949505533 /nfs/dbraw/zinc/50/55/33/949505533.db2.gz NHEXUCLOJGVUKS-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574120779 949508051 /nfs/dbraw/zinc/50/80/51/949508051.db2.gz MOLSZMMOGHWKGJ-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574120779 949508068 /nfs/dbraw/zinc/50/80/68/949508068.db2.gz MOLSZMMOGHWKGJ-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574121964 949514850 /nfs/dbraw/zinc/51/48/50/949514850.db2.gz SDHQNOTZADUSCT-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574121964 949514853 /nfs/dbraw/zinc/51/48/53/949514853.db2.gz SDHQNOTZADUSCT-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574710889 949515392 /nfs/dbraw/zinc/51/53/92/949515392.db2.gz BSOCERGJRKFBHY-WCQYABFASA-N -1 1 379.428 0.462 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574121496 949517193 /nfs/dbraw/zinc/51/71/93/949517193.db2.gz RLWVUXDQIPDRKD-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574122090 949521612 /nfs/dbraw/zinc/52/16/12/949521612.db2.gz VFERDVAHRVYDJP-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574122090 949521629 /nfs/dbraw/zinc/52/16/29/949521629.db2.gz VFERDVAHRVYDJP-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710987 949522181 /nfs/dbraw/zinc/52/21/81/949522181.db2.gz CZXRKFAOGRCVCY-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710987 949522202 /nfs/dbraw/zinc/52/22/02/949522202.db2.gz CZXRKFAOGRCVCY-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574471137 949526353 /nfs/dbraw/zinc/52/63/53/949526353.db2.gz ZYSLLBYQWCWAKH-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574471137 949526367 /nfs/dbraw/zinc/52/63/67/949526367.db2.gz ZYSLLBYQWCWAKH-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574122647 949529398 /nfs/dbraw/zinc/52/93/98/949529398.db2.gz ZOKBKWAKYJEYJL-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574122647 949529413 /nfs/dbraw/zinc/52/94/13/949529413.db2.gz ZOKBKWAKYJEYJL-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163388 949530395 /nfs/dbraw/zinc/53/03/95/949530395.db2.gz ASGNGILJACCBLN-CHWSQXEVSA-N -1 1 386.460 0.423 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576163892 949544658 /nfs/dbraw/zinc/54/46/58/949544658.db2.gz DGEGIRYCGNLLBZ-NEPJUHHUSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576163892 949544669 /nfs/dbraw/zinc/54/46/69/949544669.db2.gz DGEGIRYCGNLLBZ-NEPJUHHUSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574711574 949545203 /nfs/dbraw/zinc/54/52/03/949545203.db2.gz JKKPZMBBUIZWLO-RITPCOANSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574711574 949545217 /nfs/dbraw/zinc/54/52/17/949545217.db2.gz JKKPZMBBUIZWLO-RITPCOANSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872213 949545310 /nfs/dbraw/zinc/54/53/10/949545310.db2.gz HOYNHOFCGAIVCU-NEPJUHHUSA-N -1 1 388.432 0.283 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574123281 949550497 /nfs/dbraw/zinc/55/04/97/949550497.db2.gz RANLQRDQCALPCZ-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574123281 949550508 /nfs/dbraw/zinc/55/05/08/949550508.db2.gz RANLQRDQCALPCZ-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC001574472957 949556238 /nfs/dbraw/zinc/55/62/38/949556238.db2.gz WXQJPFSAOVZSGE-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC001574472957 949556255 /nfs/dbraw/zinc/55/62/55/949556255.db2.gz WXQJPFSAOVZSGE-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574711835 949559017 /nfs/dbraw/zinc/55/90/17/949559017.db2.gz MXOXQSVEBDRSRG-RITPCOANSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574711835 949559036 /nfs/dbraw/zinc/55/90/36/949559036.db2.gz MXOXQSVEBDRSRG-RITPCOANSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574711833 949559315 /nfs/dbraw/zinc/55/93/15/949559315.db2.gz MXOXQSVEBDRSRG-NTSWFWBYSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574711833 949559333 /nfs/dbraw/zinc/55/93/33/949559333.db2.gz MXOXQSVEBDRSRG-NTSWFWBYSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872936 949561401 /nfs/dbraw/zinc/56/14/01/949561401.db2.gz MGSSUFVZNCXWOG-RYUDHWBXSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872936 949561426 /nfs/dbraw/zinc/56/14/26/949561426.db2.gz MGSSUFVZNCXWOG-RYUDHWBXSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574475450 949567017 /nfs/dbraw/zinc/56/70/17/949567017.db2.gz AHJVANOEZHZCFK-VXGBXAGGSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574475450 949567029 /nfs/dbraw/zinc/56/70/29/949567029.db2.gz AHJVANOEZHZCFK-VXGBXAGGSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574473247 949567392 /nfs/dbraw/zinc/56/73/92/949567392.db2.gz ZCUDCEKHHLQVRG-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574473247 949567408 /nfs/dbraw/zinc/56/74/08/949567408.db2.gz ZCUDCEKHHLQVRG-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576165376 949567781 /nfs/dbraw/zinc/56/77/81/949567781.db2.gz JXEROZMTZKCQOT-YIYPIFLZSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712390 949580320 /nfs/dbraw/zinc/58/03/20/949580320.db2.gz RYHMGCQXGPWVTQ-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574475995 949580985 /nfs/dbraw/zinc/58/09/85/949580985.db2.gz DYEVSKFSWUCIDH-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574125478 949585313 /nfs/dbraw/zinc/58/53/13/949585313.db2.gz QFBZNZZKHCKRQZ-CYBMUJFWSA-N -1 1 391.501 0.718 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575544731 949587324 /nfs/dbraw/zinc/58/73/24/949587324.db2.gz FKFUCWBDMBNQRO-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575544731 949587339 /nfs/dbraw/zinc/58/73/39/949587339.db2.gz FKFUCWBDMBNQRO-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166674 949588349 /nfs/dbraw/zinc/58/83/49/949588349.db2.gz NISBLUXKQZNCBJ-GXTWGEPZSA-N -1 1 384.444 0.812 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712901 949589027 /nfs/dbraw/zinc/58/90/27/949589027.db2.gz VBFMYMNJZPYMAQ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712901 949589038 /nfs/dbraw/zinc/58/90/38/949589038.db2.gz VBFMYMNJZPYMAQ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574476265 949591227 /nfs/dbraw/zinc/59/12/27/949591227.db2.gz FSTILTWYRQOSLK-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574476265 949591243 /nfs/dbraw/zinc/59/12/43/949591243.db2.gz FSTILTWYRQOSLK-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712860 949591019 /nfs/dbraw/zinc/59/10/19/949591019.db2.gz UGGNAXNZGFFQNX-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574125502 949593042 /nfs/dbraw/zinc/59/30/42/949593042.db2.gz QZGRIJXKKQJLLI-HTAVTVPLSA-N -1 1 387.448 0.111 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574125502 949593063 /nfs/dbraw/zinc/59/30/63/949593063.db2.gz QZGRIJXKKQJLLI-HTAVTVPLSA-N -1 1 387.448 0.111 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873888 949595856 /nfs/dbraw/zinc/59/58/56/949595856.db2.gz QSBOUIAOVJWGGM-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873888 949595877 /nfs/dbraw/zinc/59/58/77/949595877.db2.gz QSBOUIAOVJWGGM-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125852 949596112 /nfs/dbraw/zinc/59/61/12/949596112.db2.gz UJRBTRIFDXZZFR-OLZOCXBDSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](NC(=O)CCCNC(=O)C1CC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270788 949599176 /nfs/dbraw/zinc/59/91/76/949599176.db2.gz GGDGFJKIOJCSPY-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)CCCNC(=O)C1CC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270788 949599189 /nfs/dbraw/zinc/59/91/89/949599189.db2.gz GGDGFJKIOJCSPY-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1nccnc1-c1nnn[n-]1 ZINC001574713223 949601395 /nfs/dbraw/zinc/60/13/95/949601395.db2.gz WOFXBIATAHXNIX-BXUZGUMPSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1nccnc1-c1nn[n-]n1 ZINC001574713223 949601410 /nfs/dbraw/zinc/60/14/10/949601410.db2.gz WOFXBIATAHXNIX-BXUZGUMPSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575545343 949602619 /nfs/dbraw/zinc/60/26/19/949602619.db2.gz KWFLLNQUDKUYAP-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575545343 949602624 /nfs/dbraw/zinc/60/26/24/949602624.db2.gz KWFLLNQUDKUYAP-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H]1CCCC[C@H]1CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576167284 949603710 /nfs/dbraw/zinc/60/37/10/949603710.db2.gz CAAFHJZFGIFVFX-QWRGUYRKSA-N -1 1 376.421 0.255 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713453 949604115 /nfs/dbraw/zinc/60/41/15/949604115.db2.gz XNMCHCWDVUHBGD-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574476673 949615685 /nfs/dbraw/zinc/61/56/85/949615685.db2.gz JCBPGTDDYQYYKT-STQMWFEESA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574476673 949615697 /nfs/dbraw/zinc/61/56/97/949615697.db2.gz JCBPGTDDYQYYKT-STQMWFEESA-N -1 1 385.432 0.341 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575546851 949617567 /nfs/dbraw/zinc/61/75/67/949617567.db2.gz SFABBIOWHZSQTO-DEYYWGMASA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575546851 949617581 /nfs/dbraw/zinc/61/75/81/949617581.db2.gz SFABBIOWHZSQTO-DEYYWGMASA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874791 949619910 /nfs/dbraw/zinc/61/99/10/949619910.db2.gz GYHCSLAXDWXRKC-YPMHNXCESA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874791 949619918 /nfs/dbraw/zinc/61/99/18/949619918.db2.gz GYHCSLAXDWXRKC-YPMHNXCESA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167960 949621172 /nfs/dbraw/zinc/62/11/72/949621172.db2.gz ATLQWVGRZYEZDE-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167960 949621181 /nfs/dbraw/zinc/62/11/81/949621181.db2.gz ATLQWVGRZYEZDE-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167962 949621332 /nfs/dbraw/zinc/62/13/32/949621332.db2.gz ATLQWVGRZYEZDE-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167962 949621342 /nfs/dbraw/zinc/62/13/42/949621342.db2.gz ATLQWVGRZYEZDE-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM CC1(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575547549 949632128 /nfs/dbraw/zinc/63/21/28/949632128.db2.gz ZMYCEIKERLWUNE-CYBMUJFWSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574714561 949634052 /nfs/dbraw/zinc/63/40/52/949634052.db2.gz FKYAMGDKNVEOGE-NEPJUHHUSA-N -1 1 384.448 0.265 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575547714 949639509 /nfs/dbraw/zinc/63/95/09/949639509.db2.gz DZQFFKUBZAONPA-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575547714 949639518 /nfs/dbraw/zinc/63/95/18/949639518.db2.gz DZQFFKUBZAONPA-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574477150 949642926 /nfs/dbraw/zinc/64/29/26/949642926.db2.gz KKAFEMLZDGYBNK-LBPRGKRZSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574477150 949642947 /nfs/dbraw/zinc/64/29/47/949642947.db2.gz KKAFEMLZDGYBNK-LBPRGKRZSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715106 949642733 /nfs/dbraw/zinc/64/27/33/949642733.db2.gz BAKPPAAFRLTBJG-QWHCGFSZSA-N -1 1 388.476 0.933 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573814701 949644563 /nfs/dbraw/zinc/64/45/63/949644563.db2.gz FAKRHIUNSXPQCS-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573814701 949644576 /nfs/dbraw/zinc/64/45/76/949644576.db2.gz FAKRHIUNSXPQCS-PWSUYJOCSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574477313 949651299 /nfs/dbraw/zinc/65/12/99/949651299.db2.gz PYPRIMVCEMTGAK-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574477313 949651310 /nfs/dbraw/zinc/65/13/10/949651310.db2.gz PYPRIMVCEMTGAK-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574715399 949651985 /nfs/dbraw/zinc/65/19/85/949651985.db2.gz BYIOAWYBGGZBMM-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574715399 949651996 /nfs/dbraw/zinc/65/19/96/949651996.db2.gz BYIOAWYBGGZBMM-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575273035 949659130 /nfs/dbraw/zinc/65/91/30/949659130.db2.gz UWZCEYMKVDYUEK-NWDGAFQWSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575273035 949659140 /nfs/dbraw/zinc/65/91/40/949659140.db2.gz UWZCEYMKVDYUEK-NWDGAFQWSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575548178 949660242 /nfs/dbraw/zinc/66/02/42/949660242.db2.gz SXHSXTZNPJIBDW-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575548178 949660254 /nfs/dbraw/zinc/66/02/54/949660254.db2.gz SXHSXTZNPJIBDW-YVEFUNNKSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H](CC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574477525 949662490 /nfs/dbraw/zinc/66/24/90/949662490.db2.gz RZINBTYPOWBBMQ-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](CC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574477525 949662503 /nfs/dbraw/zinc/66/25/03/949662503.db2.gz RZINBTYPOWBBMQ-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001573816118 949671786 /nfs/dbraw/zinc/67/17/86/949671786.db2.gz OMDUFFQPCOQHDA-CHWSQXEVSA-N -1 1 388.476 0.981 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001573816119 949672067 /nfs/dbraw/zinc/67/20/67/949672067.db2.gz OMDUFFQPCOQHDA-OLZOCXBDSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCOCC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877758 949672655 /nfs/dbraw/zinc/67/26/55/949672655.db2.gz MUHRPZWGALZVTH-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCOCC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877758 949672669 /nfs/dbraw/zinc/67/26/69/949672669.db2.gz MUHRPZWGALZVTH-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575273822 949673256 /nfs/dbraw/zinc/67/32/56/949673256.db2.gz YFTPLRQTDRATTE-VXGBXAGGSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575273822 949673269 /nfs/dbraw/zinc/67/32/69/949673269.db2.gz YFTPLRQTDRATTE-VXGBXAGGSA-N -1 1 387.448 0.033 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CO[C@@H]1CCOC1 ZINC001573816317 949676774 /nfs/dbraw/zinc/67/67/74/949676774.db2.gz QEZLJUFQCNJJMO-DGCLKSJQSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CO[C@@H]1CCOC1 ZINC001573816317 949676780 /nfs/dbraw/zinc/67/67/80/949676780.db2.gz QEZLJUFQCNJJMO-DGCLKSJQSA-N -1 1 390.448 0.405 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575878808 949680265 /nfs/dbraw/zinc/68/02/65/949680265.db2.gz PGKWKHJAHGJGJM-YPMHNXCESA-N -1 1 383.416 0.751 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CC(F)(F)C1 ZINC001575552671 949682313 /nfs/dbraw/zinc/68/23/13/949682313.db2.gz GVZMHJVQTSDBJM-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CC(F)(F)C1 ZINC001575552671 949682323 /nfs/dbraw/zinc/68/23/23/949682323.db2.gz GVZMHJVQTSDBJM-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001574477908 949683466 /nfs/dbraw/zinc/68/34/66/949683466.db2.gz SSEHCIGSWIPLMV-TZMCWYRMSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001574477908 949683479 /nfs/dbraw/zinc/68/34/79/949683479.db2.gz SSEHCIGSWIPLMV-TZMCWYRMSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575274566 949689989 /nfs/dbraw/zinc/68/99/89/949689989.db2.gz AMCVXUYVBYEPHE-NXEZZACHSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575274566 949690011 /nfs/dbraw/zinc/69/00/11/949690011.db2.gz AMCVXUYVBYEPHE-NXEZZACHSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CCCOC1 ZINC001575552908 949690187 /nfs/dbraw/zinc/69/01/87/949690187.db2.gz KYESLHZPCJDPPP-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CCCOC1 ZINC001575552908 949690203 /nfs/dbraw/zinc/69/02/03/949690203.db2.gz KYESLHZPCJDPPP-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573816912 949691631 /nfs/dbraw/zinc/69/16/31/949691631.db2.gz VLSOJQGGFKQWFN-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573816912 949691650 /nfs/dbraw/zinc/69/16/50/949691650.db2.gz VLSOJQGGFKQWFN-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574958956 949700686 /nfs/dbraw/zinc/70/06/86/949700686.db2.gz ORIDDKKAZZOCQX-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574958956 949700705 /nfs/dbraw/zinc/70/07/05/949700705.db2.gz ORIDDKKAZZOCQX-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170051 949704342 /nfs/dbraw/zinc/70/43/42/949704342.db2.gz IWXUSKKNLZKTFI-QWHCGFSZSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CCOC1 ZINC001575557136 949708674 /nfs/dbraw/zinc/70/86/74/949708674.db2.gz BDZSQZWHNZDLSJ-VBHSOAQHSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CCOC1 ZINC001575557136 949708692 /nfs/dbraw/zinc/70/86/92/949708692.db2.gz BDZSQZWHNZDLSJ-VBHSOAQHSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574959373 949708663 /nfs/dbraw/zinc/70/86/63/949708663.db2.gz QQGWYGOJDGNDRR-IJLUTSLNSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574959373 949708678 /nfs/dbraw/zinc/70/86/78/949708678.db2.gz QQGWYGOJDGNDRR-IJLUTSLNSA-N -1 1 382.432 0.135 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1ccnc1 ZINC001573818000 949711420 /nfs/dbraw/zinc/71/14/20/949711420.db2.gz DMMKIRWNTUATOZ-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1ccnc1 ZINC001573818000 949711437 /nfs/dbraw/zinc/71/14/37/949711437.db2.gz DMMKIRWNTUATOZ-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574959441 949712387 /nfs/dbraw/zinc/71/23/87/949712387.db2.gz SHMFHBKUPCHXOM-FPMFFAJLSA-N -1 1 386.460 0.884 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574959441 949712407 /nfs/dbraw/zinc/71/24/07/949712407.db2.gz SHMFHBKUPCHXOM-FPMFFAJLSA-N -1 1 386.460 0.884 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cncs1 ZINC001573818098 949716276 /nfs/dbraw/zinc/71/62/76/949716276.db2.gz GCRYMQLNKYUDJX-NSHDSACASA-N -1 1 387.473 0.721 20 0 GCADMM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881473 949721869 /nfs/dbraw/zinc/72/18/69/949721869.db2.gz YJJCRWMYGKRVHF-UWVGGRQHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881473 949721896 /nfs/dbraw/zinc/72/18/96/949721896.db2.gz YJJCRWMYGKRVHF-UWVGGRQHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881472 949724800 /nfs/dbraw/zinc/72/48/00/949724800.db2.gz YJJCRWMYGKRVHF-NXEZZACHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881472 949724812 /nfs/dbraw/zinc/72/48/12/949724812.db2.gz YJJCRWMYGKRVHF-NXEZZACHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881863 949736458 /nfs/dbraw/zinc/73/64/58/949736458.db2.gz CMDGFKRDHKELEG-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881863 949736468 /nfs/dbraw/zinc/73/64/68/949736468.db2.gz CMDGFKRDHKELEG-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881824 949737063 /nfs/dbraw/zinc/73/70/63/949737063.db2.gz BMAAFNKBRHVOJF-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881824 949737083 /nfs/dbraw/zinc/73/70/83/949737083.db2.gz BMAAFNKBRHVOJF-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccncc1F ZINC001573818666 949739611 /nfs/dbraw/zinc/73/96/11/949739611.db2.gz NSLPCDUIXQNQEB-LBPRGKRZSA-N -1 1 385.407 0.869 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccncc1F ZINC001573818665 949742504 /nfs/dbraw/zinc/74/25/04/949742504.db2.gz NSLPCDUIXQNQEB-GFCCVEGCSA-N -1 1 385.407 0.869 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170987 949742813 /nfs/dbraw/zinc/74/28/13/949742813.db2.gz OMKYRVAIHCQDMX-JSGCOSHPSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574962951 949743530 /nfs/dbraw/zinc/74/35/30/949743530.db2.gz GEGVVWQXZCOWBP-NKWVEPMBSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574962951 949743544 /nfs/dbraw/zinc/74/35/44/949743544.db2.gz GEGVVWQXZCOWBP-NKWVEPMBSA-N -1 1 384.853 0.562 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574136383 949743773 /nfs/dbraw/zinc/74/37/73/949743773.db2.gz PAQYXUFHIKRMDG-ZIAGYGMSSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573818978 949745470 /nfs/dbraw/zinc/74/54/70/949745470.db2.gz QDVLDYBRFZRNOF-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573818978 949745482 /nfs/dbraw/zinc/74/54/82/949745482.db2.gz QDVLDYBRFZRNOF-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575277188 949745797 /nfs/dbraw/zinc/74/57/97/949745797.db2.gz OQAJSBXXNJIKDY-RYUDHWBXSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575277188 949745807 /nfs/dbraw/zinc/74/58/07/949745807.db2.gz OQAJSBXXNJIKDY-RYUDHWBXSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575277287 949745955 /nfs/dbraw/zinc/74/59/55/949745955.db2.gz PSZLAWTVHNJUTO-WDEREUQCSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575277287 949745971 /nfs/dbraw/zinc/74/59/71/949745971.db2.gz PSZLAWTVHNJUTO-WDEREUQCSA-N -1 1 383.416 0.695 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1COCCO1 ZINC001573818743 949746247 /nfs/dbraw/zinc/74/62/47/949746247.db2.gz PJBJFGIQIRCCDU-NEPJUHHUSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1COCCO1 ZINC001573818743 949746259 /nfs/dbraw/zinc/74/62/59/949746259.db2.gz PJBJFGIQIRCCDU-NEPJUHHUSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575277283 949746718 /nfs/dbraw/zinc/74/67/18/949746718.db2.gz PSZLAWTVHNJUTO-GHMZBOCLSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575277283 949746736 /nfs/dbraw/zinc/74/67/36/949746736.db2.gz PSZLAWTVHNJUTO-GHMZBOCLSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@]1(C(=O)NC2CC3(C2)CC(Nc2ccc(-c4nnn[n-]4)nn2)C3)CCOC1 ZINC001575559341 949753840 /nfs/dbraw/zinc/75/38/40/949753840.db2.gz BFXZCESRFDILPA-BCFKKSPQSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@]1(C(=O)NC2CC3(C2)CC(Nc2ccc(-c4nn[n-]n4)nn2)C3)CCOC1 ZINC001575559341 949753860 /nfs/dbraw/zinc/75/38/60/949753860.db2.gz BFXZCESRFDILPA-BCFKKSPQSA-N -1 1 384.444 0.923 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574480537 949754348 /nfs/dbraw/zinc/75/43/48/949754348.db2.gz JMEHUFIYDHMGHJ-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574480537 949754357 /nfs/dbraw/zinc/75/43/57/949754357.db2.gz JMEHUFIYDHMGHJ-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001573819846 949759755 /nfs/dbraw/zinc/75/97/55/949759755.db2.gz WLKQCWNBFFJCGP-YPMHNXCESA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001573819846 949759767 /nfs/dbraw/zinc/75/97/67/949759767.db2.gz WLKQCWNBFFJCGP-YPMHNXCESA-N -1 1 390.448 0.405 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001574481005 949761478 /nfs/dbraw/zinc/76/14/78/949761478.db2.gz MALHMEZIJMOYEO-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574481005 949761490 /nfs/dbraw/zinc/76/14/90/949761490.db2.gz MALHMEZIJMOYEO-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM CC1(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575559705 949762226 /nfs/dbraw/zinc/76/22/26/949762226.db2.gz DPDNOPBNSQFDHF-UHFFFAOYSA-N -1 1 378.387 0.821 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574137513 949764382 /nfs/dbraw/zinc/76/43/82/949764382.db2.gz VFIPVMVTFDOICZ-ZIAGYGMSSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574137513 949764404 /nfs/dbraw/zinc/76/44/04/949764404.db2.gz VFIPVMVTFDOICZ-ZIAGYGMSSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171486 949766412 /nfs/dbraw/zinc/76/64/12/949766412.db2.gz REAZHLPRLMDEOR-RYUDHWBXSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171486 949766431 /nfs/dbraw/zinc/76/64/31/949766431.db2.gz REAZHLPRLMDEOR-RYUDHWBXSA-N -1 1 382.432 0.662 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573820679 949767190 /nfs/dbraw/zinc/76/71/90/949767190.db2.gz YSEIKAATUIQJFQ-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573820679 949767207 /nfs/dbraw/zinc/76/72/07/949767207.db2.gz YSEIKAATUIQJFQ-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574481173 949767365 /nfs/dbraw/zinc/76/73/65/949767365.db2.gz NATJXVQZWUKFNL-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574481173 949767378 /nfs/dbraw/zinc/76/73/78/949767378.db2.gz NATJXVQZWUKFNL-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575278794 949770820 /nfs/dbraw/zinc/77/08/20/949770820.db2.gz VNOYUTMYTVXGLZ-RYUDHWBXSA-N -1 1 383.412 0.828 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574481260 949775497 /nfs/dbraw/zinc/77/54/97/949775497.db2.gz NZPOIHUMKBVEBG-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574481260 949775507 /nfs/dbraw/zinc/77/55/07/949775507.db2.gz NZPOIHUMKBVEBG-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718372 949776051 /nfs/dbraw/zinc/77/60/51/949776051.db2.gz VQDWIOBSQOCSQW-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718372 949776069 /nfs/dbraw/zinc/77/60/69/949776069.db2.gz VQDWIOBSQOCSQW-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574481440 949777164 /nfs/dbraw/zinc/77/71/64/949777164.db2.gz PWEOZMFTINREHL-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574481440 949777187 /nfs/dbraw/zinc/77/71/87/949777187.db2.gz PWEOZMFTINREHL-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574138078 949781068 /nfs/dbraw/zinc/78/10/68/949781068.db2.gz ZVQMEINUVKABKU-STQMWFEESA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574138078 949781087 /nfs/dbraw/zinc/78/10/87/949781087.db2.gz ZVQMEINUVKABKU-STQMWFEESA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001573822180 949781991 /nfs/dbraw/zinc/78/19/91/949781991.db2.gz GGLITSNSNHLFBT-LLVKDONJSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001573822180 949782000 /nfs/dbraw/zinc/78/20/00/949782000.db2.gz GGLITSNSNHLFBT-LLVKDONJSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCOC1CCOCC1 ZINC001575279521 949782374 /nfs/dbraw/zinc/78/23/74/949782374.db2.gz YMNXEIFHBLWSFM-NEPJUHHUSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCOC1CCOCC1 ZINC001575279521 949782393 /nfs/dbraw/zinc/78/23/93/949782393.db2.gz YMNXEIFHBLWSFM-NEPJUHHUSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575279759 949789088 /nfs/dbraw/zinc/78/90/88/949789088.db2.gz ZOJSTKHUWYLIGS-UWVGGRQHSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575279759 949789097 /nfs/dbraw/zinc/78/90/97/949789097.db2.gz ZOJSTKHUWYLIGS-UWVGGRQHSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574481581 949790221 /nfs/dbraw/zinc/79/02/21/949790221.db2.gz RSMDADWNKXOBKC-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574481581 949790236 /nfs/dbraw/zinc/79/02/36/949790236.db2.gz RSMDADWNKXOBKC-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574138692 949793669 /nfs/dbraw/zinc/79/36/69/949793669.db2.gz FGGDYDDRVZGXNV-FZKQIMNGSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574138692 949793685 /nfs/dbraw/zinc/79/36/85/949793685.db2.gz FGGDYDDRVZGXNV-FZKQIMNGSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccnn1 ZINC001573822420 949794562 /nfs/dbraw/zinc/79/45/62/949794562.db2.gz IYPMTJBBSMKRTM-NSHDSACASA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccnn1 ZINC001573822420 949794574 /nfs/dbraw/zinc/79/45/74/949794574.db2.gz IYPMTJBBSMKRTM-NSHDSACASA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCNC1=O ZINC001573822618 949796327 /nfs/dbraw/zinc/79/63/27/949796327.db2.gz KSDIJRBQKYWNTB-MNOVXSKESA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCNC1=O ZINC001573822618 949796341 /nfs/dbraw/zinc/79/63/41/949796341.db2.gz KSDIJRBQKYWNTB-MNOVXSKESA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)CCOC1 ZINC001575560819 949796814 /nfs/dbraw/zinc/79/68/14/949796814.db2.gz VCLAAWIWADZBQR-SJKOYZFVSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)CCOC1 ZINC001575560819 949796826 /nfs/dbraw/zinc/79/68/26/949796826.db2.gz VCLAAWIWADZBQR-SJKOYZFVSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574965732 949809026 /nfs/dbraw/zinc/80/90/26/949809026.db2.gz KKNATBLSXNKADN-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574965732 949809051 /nfs/dbraw/zinc/80/90/51/949809051.db2.gz KKNATBLSXNKADN-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172557 949813053 /nfs/dbraw/zinc/81/30/53/949813053.db2.gz XDPQRQILCICEBS-GXFFZTMASA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574965772 949815670 /nfs/dbraw/zinc/81/56/70/949815670.db2.gz LQKCXBDSYAABQT-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574965772 949815685 /nfs/dbraw/zinc/81/56/85/949815685.db2.gz LQKCXBDSYAABQT-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575562296 949819144 /nfs/dbraw/zinc/81/91/44/949819144.db2.gz FIVHEVSXOVNNTC-OLZOCXBDSA-N -1 1 386.460 0.735 20 0 GCADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575562292 949819272 /nfs/dbraw/zinc/81/92/72/949819272.db2.gz FIVHEVSXOVNNTC-CHWSQXEVSA-N -1 1 386.460 0.735 20 0 GCADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575562305 949819335 /nfs/dbraw/zinc/81/93/35/949819335.db2.gz FIVHEVSXOVNNTC-STQMWFEESA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172838 949820868 /nfs/dbraw/zinc/82/08/68/949820868.db2.gz YOCZDPGAOPTHPH-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172838 949820890 /nfs/dbraw/zinc/82/08/90/949820890.db2.gz YOCZDPGAOPTHPH-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccnc1 ZINC001573823260 949821315 /nfs/dbraw/zinc/82/13/15/949821315.db2.gz SMZVKCGYQMBGAV-LBPRGKRZSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccnc1 ZINC001573823260 949821331 /nfs/dbraw/zinc/82/13/31/949821331.db2.gz SMZVKCGYQMBGAV-LBPRGKRZSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574965903 949821552 /nfs/dbraw/zinc/82/15/52/949821552.db2.gz OIVBUGFIJHIKJR-ZETCQYMHSA-N -1 1 388.823 0.563 20 0 GCADMM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001576172873 949821793 /nfs/dbraw/zinc/82/17/93/949821793.db2.gz YWGXFDCYGGRAKN-NSHDSACASA-N -1 1 379.446 0.189 20 0 GCADMM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576172873 949821816 /nfs/dbraw/zinc/82/18/16/949821816.db2.gz YWGXFDCYGGRAKN-NSHDSACASA-N -1 1 379.446 0.189 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574482050 949822815 /nfs/dbraw/zinc/82/28/15/949822815.db2.gz ZTFXLLGXQAEOGV-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574482050 949822823 /nfs/dbraw/zinc/82/28/23/949822823.db2.gz ZTFXLLGXQAEOGV-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883643 949827491 /nfs/dbraw/zinc/82/74/91/949827491.db2.gz RXAGUGHJAJXVNA-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883643 949827506 /nfs/dbraw/zinc/82/75/06/949827506.db2.gz RXAGUGHJAJXVNA-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574966072 949832445 /nfs/dbraw/zinc/83/24/45/949832445.db2.gz TVCUYFODFHKCIZ-JTQLQIEISA-N -1 1 384.448 0.577 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575883981 949835015 /nfs/dbraw/zinc/83/50/15/949835015.db2.gz UBSMBUKPZKFCMB-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573823824 949842702 /nfs/dbraw/zinc/84/27/02/949842702.db2.gz ZJTPHVDQZPJIKT-MNOVXSKESA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573823824 949842732 /nfs/dbraw/zinc/84/27/32/949842732.db2.gz ZJTPHVDQZPJIKT-MNOVXSKESA-N -1 1 387.448 0.126 20 0 GCADMM CC1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCOCC1 ZINC001575563908 949847993 /nfs/dbraw/zinc/84/79/93/949847993.db2.gz MZRSEHOHKCOORX-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCOCC1 ZINC001575563908 949848011 /nfs/dbraw/zinc/84/80/11/949848011.db2.gz MZRSEHOHKCOORX-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574483975 949851584 /nfs/dbraw/zinc/85/15/84/949851584.db2.gz AZHYSGJTOIFVET-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574483975 949851604 /nfs/dbraw/zinc/85/16/04/949851604.db2.gz AZHYSGJTOIFVET-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575283032 949855061 /nfs/dbraw/zinc/85/50/61/949855061.db2.gz MQQJTGLQYOMSAF-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575283032 949855081 /nfs/dbraw/zinc/85/50/81/949855081.db2.gz MQQJTGLQYOMSAF-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1ccnc1 ZINC001574484118 949858539 /nfs/dbraw/zinc/85/85/39/949858539.db2.gz VUHDSQOGTSHYJI-VNHYZAJKSA-N -1 1 394.443 0.542 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)n21 ZINC001576177838 949859270 /nfs/dbraw/zinc/85/92/70/949859270.db2.gz CDMKDFGFLJFHCM-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)n21 ZINC001576177838 949859291 /nfs/dbraw/zinc/85/92/91/949859291.db2.gz CDMKDFGFLJFHCM-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM C[C@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)NC(N)=O ZINC001574484086 949860668 /nfs/dbraw/zinc/86/06/68/949860668.db2.gz TYCHLIIMBGYUMZ-SNVBAGLBSA-N -1 1 378.462 0.019 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574484206 949863144 /nfs/dbraw/zinc/86/31/44/949863144.db2.gz FIAOQLHOJSLDNC-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574484206 949863168 /nfs/dbraw/zinc/86/31/68/949863168.db2.gz FIAOQLHOJSLDNC-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574484202 949863213 /nfs/dbraw/zinc/86/32/13/949863213.db2.gz FHZRPWKDEBABNX-OLZOCXBDSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1ccnc1 ZINC001574484212 949871601 /nfs/dbraw/zinc/87/16/01/949871601.db2.gz FNKCAFITPRRWIV-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178022 949874962 /nfs/dbraw/zinc/87/49/62/949874962.db2.gz AOPJLWNIOBXVKH-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178022 949874982 /nfs/dbraw/zinc/87/49/82/949874982.db2.gz AOPJLWNIOBXVKH-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575886314 949883006 /nfs/dbraw/zinc/88/30/06/949883006.db2.gz XVJRDQWDJXNPHA-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575283672 949883336 /nfs/dbraw/zinc/88/33/36/949883336.db2.gz GQTRQHHKNYNTHR-NEPJUHHUSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575283672 949883355 /nfs/dbraw/zinc/88/33/55/949883355.db2.gz GQTRQHHKNYNTHR-NEPJUHHUSA-N -1 1 383.416 0.214 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3nccnc3-c3nnn[n-]3)(C1)C2 ZINC001573825473 949884897 /nfs/dbraw/zinc/88/48/97/949884897.db2.gz XBHRIDMYOPTXHU-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3nccnc3-c3nn[n-]n3)(C1)C2 ZINC001573825473 949884925 /nfs/dbraw/zinc/88/49/25/949884925.db2.gz XBHRIDMYOPTXHU-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178478 949889062 /nfs/dbraw/zinc/88/90/62/949889062.db2.gz BQCIGTOTCAQJMP-MFKMUULPSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178478 949889084 /nfs/dbraw/zinc/88/90/84/949889084.db2.gz BQCIGTOTCAQJMP-MFKMUULPSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574484753 949897035 /nfs/dbraw/zinc/89/70/35/949897035.db2.gz NNSCBRAMQCUDJO-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574484753 949897055 /nfs/dbraw/zinc/89/70/55/949897055.db2.gz NNSCBRAMQCUDJO-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001576178842 949901811 /nfs/dbraw/zinc/90/18/11/949901811.db2.gz CXECAASOYFDRFW-CABZTGNLSA-N -1 1 386.420 0.049 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574484933 949910874 /nfs/dbraw/zinc/91/08/74/949910874.db2.gz RYPHMJOYNBYOMT-UONOGXRCSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574725757 949915186 /nfs/dbraw/zinc/91/51/86/949915186.db2.gz CRJKNRDZRRNSQT-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574725757 949915197 /nfs/dbraw/zinc/91/51/97/949915197.db2.gz CRJKNRDZRRNSQT-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576179513 949915383 /nfs/dbraw/zinc/91/53/83/949915383.db2.gz AGBZAFMPYRWCEJ-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575284835 949920927 /nfs/dbraw/zinc/92/09/27/949920927.db2.gz WWLBPJXUPAYWPE-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575284835 949920945 /nfs/dbraw/zinc/92/09/45/949920945.db2.gz WWLBPJXUPAYWPE-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001574485277 949921436 /nfs/dbraw/zinc/92/14/36/949921436.db2.gz WLADYNSDFUUCRM-DZGCQCFKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001574485277 949921450 /nfs/dbraw/zinc/92/14/50/949921450.db2.gz WLADYNSDFUUCRM-DZGCQCFKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179719 949922789 /nfs/dbraw/zinc/92/27/89/949922789.db2.gz BWJRWAHCZQZXJH-GXTWGEPZSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179719 949922805 /nfs/dbraw/zinc/92/28/05/949922805.db2.gz BWJRWAHCZQZXJH-GXTWGEPZSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575284898 949923546 /nfs/dbraw/zinc/92/35/46/949923546.db2.gz XACHTYUZNSBYQR-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575284898 949923564 /nfs/dbraw/zinc/92/35/64/949923564.db2.gz XACHTYUZNSBYQR-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]2O)CC1 ZINC001575569777 949927924 /nfs/dbraw/zinc/92/79/24/949927924.db2.gz NWAPUFYWVREITG-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001574485280 949928303 /nfs/dbraw/zinc/92/83/03/949928303.db2.gz WLADYNSDFUUCRM-ZFWWWQNUSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001574485280 949928315 /nfs/dbraw/zinc/92/83/15/949928315.db2.gz WLADYNSDFUUCRM-ZFWWWQNUSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574969058 949931144 /nfs/dbraw/zinc/93/11/44/949931144.db2.gz YTQNETCMDCXLCL-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574969058 949931157 /nfs/dbraw/zinc/93/11/57/949931157.db2.gz YTQNETCMDCXLCL-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1ccnc1 ZINC001574485694 949933001 /nfs/dbraw/zinc/93/30/01/949933001.db2.gz YXKOCTJYGFXSMC-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180015 949935642 /nfs/dbraw/zinc/93/56/42/949935642.db2.gz GQSDHZOIJSJXID-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180015 949935660 /nfs/dbraw/zinc/93/56/60/949935660.db2.gz GQSDHZOIJSJXID-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001576180088 949937621 /nfs/dbraw/zinc/93/76/21/949937621.db2.gz HHYSKCDZUTUQLD-SKDRFNHKSA-N -1 1 386.420 0.049 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001574487693 949938719 /nfs/dbraw/zinc/93/87/19/949938719.db2.gz BDOIPMJPUZMXDD-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001574487693 949938741 /nfs/dbraw/zinc/93/87/41/949938741.db2.gz BDOIPMJPUZMXDD-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575285132 949938987 /nfs/dbraw/zinc/93/89/87/949938987.db2.gz ZBTHFHZJXXCVCO-GHMZBOCLSA-N -1 1 386.391 0.602 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180203 949945747 /nfs/dbraw/zinc/94/57/47/949945747.db2.gz NLYADKYROBHTBU-ZYHUDNBSSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726832 949945901 /nfs/dbraw/zinc/94/59/01/949945901.db2.gz LRIJEWZTXISEBP-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726832 949945924 /nfs/dbraw/zinc/94/59/24/949945924.db2.gz LRIJEWZTXISEBP-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575890396 949953841 /nfs/dbraw/zinc/95/38/41/949953841.db2.gz XGKPTCVKSKMDDV-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575890396 949953859 /nfs/dbraw/zinc/95/38/59/949953859.db2.gz XGKPTCVKSKMDDV-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575286171 949975171 /nfs/dbraw/zinc/97/51/71/949975171.db2.gz UBMUJFRQJKIDPV-NEPJUHHUSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575286171 949975187 /nfs/dbraw/zinc/97/51/87/949975187.db2.gz UBMUJFRQJKIDPV-NEPJUHHUSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890934 949975727 /nfs/dbraw/zinc/97/57/27/949975727.db2.gz BMZGHLFBGKUJCE-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890934 949975742 /nfs/dbraw/zinc/97/57/42/949975742.db2.gz BMZGHLFBGKUJCE-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM CC1(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575572605 949980755 /nfs/dbraw/zinc/98/07/55/949980755.db2.gz HGIRSRUJQWRJRI-JTQLQIEISA-N -1 1 378.387 0.821 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574490179 949981245 /nfs/dbraw/zinc/98/12/45/949981245.db2.gz NXVBCYSUTWJSEP-JHJVBQTASA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574490179 949981264 /nfs/dbraw/zinc/98/12/64/949981264.db2.gz NXVBCYSUTWJSEP-JHJVBQTASA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891086 949983174 /nfs/dbraw/zinc/98/31/74/949983174.db2.gz DVEYTOBMPDVRDZ-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891086 949983189 /nfs/dbraw/zinc/98/31/89/949983189.db2.gz DVEYTOBMPDVRDZ-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574728521 949991797 /nfs/dbraw/zinc/99/17/97/949991797.db2.gz BQIOJNGEHQQEND-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574728521 949991811 /nfs/dbraw/zinc/99/18/11/949991811.db2.gz BQIOJNGEHQQEND-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)nc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891273 949995768 /nfs/dbraw/zinc/99/57/68/949995768.db2.gz HFFQSCFFOJKQAX-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC(=O)C1 ZINC001575573542 949996675 /nfs/dbraw/zinc/99/66/75/949996675.db2.gz MVJYRNIUDMZSMZ-INIZCTEOSA-N -1 1 375.458 0.145 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574490643 950009233 /nfs/dbraw/zinc/00/92/33/950009233.db2.gz WPYWPHMODBRAPN-AGIUHOORSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574490643 950009260 /nfs/dbraw/zinc/00/92/60/950009260.db2.gz WPYWPHMODBRAPN-AGIUHOORSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574490693 950011765 /nfs/dbraw/zinc/01/17/65/950011765.db2.gz XKHLKSJMILIZEJ-AAEUAGOBSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574490695 950013801 /nfs/dbraw/zinc/01/38/01/950013801.db2.gz XKHLKSJMILIZEJ-WCQYABFASA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891522 950014447 /nfs/dbraw/zinc/01/44/47/950014447.db2.gz KSWQHCNBZMDESQ-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574490756 950019751 /nfs/dbraw/zinc/01/97/51/950019751.db2.gz YEVGTCKMTZHWHL-YRGRVCCFSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574490756 950019774 /nfs/dbraw/zinc/01/97/74/950019774.db2.gz YEVGTCKMTZHWHL-YRGRVCCFSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181840 950023412 /nfs/dbraw/zinc/02/34/12/950023412.db2.gz MUVLGPRVQBFQFH-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181840 950023434 /nfs/dbraw/zinc/02/34/34/950023434.db2.gz MUVLGPRVQBFQFH-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182090 950034874 /nfs/dbraw/zinc/03/48/74/950034874.db2.gz XYYNULNADPIGSY-CABZTGNLSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182090 950034896 /nfs/dbraw/zinc/03/48/96/950034896.db2.gz XYYNULNADPIGSY-CABZTGNLSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182158 950040246 /nfs/dbraw/zinc/04/02/46/950040246.db2.gz YESDJDGRSCVLQL-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182158 950040272 /nfs/dbraw/zinc/04/02/72/950040272.db2.gz YESDJDGRSCVLQL-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892059 950046557 /nfs/dbraw/zinc/04/65/57/950046557.db2.gz RATFASBFOPUPCU-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892059 950046576 /nfs/dbraw/zinc/04/65/76/950046576.db2.gz RATFASBFOPUPCU-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576182405 950047892 /nfs/dbraw/zinc/04/78/92/950047892.db2.gz ZNLNXGKQFGDINU-QWRGUYRKSA-N -1 1 382.432 0.403 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574731448 950050786 /nfs/dbraw/zinc/05/07/86/950050786.db2.gz DZWSIHRMFHKYCR-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574731448 950050810 /nfs/dbraw/zinc/05/08/10/950050810.db2.gz DZWSIHRMFHKYCR-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574732161 950066738 /nfs/dbraw/zinc/06/67/38/950066738.db2.gz GJJOVXQYOMTBIN-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574732161 950066760 /nfs/dbraw/zinc/06/67/60/950066760.db2.gz GJJOVXQYOMTBIN-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574492156 950068931 /nfs/dbraw/zinc/06/89/31/950068931.db2.gz JYJAPGSRQWMROD-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492156 950068954 /nfs/dbraw/zinc/06/89/54/950068954.db2.gz JYJAPGSRQWMROD-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892511 950070751 /nfs/dbraw/zinc/07/07/51/950070751.db2.gz XDUJWLCUGFACSK-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892511 950070762 /nfs/dbraw/zinc/07/07/62/950070762.db2.gz XDUJWLCUGFACSK-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cncn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574732597 950073172 /nfs/dbraw/zinc/07/31/72/950073172.db2.gz KNVQZXPXBWPQCL-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cncn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574732597 950073189 /nfs/dbraw/zinc/07/31/89/950073189.db2.gz KNVQZXPXBWPQCL-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574492353 950076422 /nfs/dbraw/zinc/07/64/22/950076422.db2.gz MHAHNZWRSZRTAS-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](O)CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001575577385 950078289 /nfs/dbraw/zinc/07/82/89/950078289.db2.gz VILPAYSFNVQLRG-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](O)CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001575577388 950080652 /nfs/dbraw/zinc/08/06/52/950080652.db2.gz VILPAYSFNVQLRG-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574492419 950080684 /nfs/dbraw/zinc/08/06/84/950080684.db2.gz AWEBJPLNQRNDHG-DGCLKSJQSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575892626 950082879 /nfs/dbraw/zinc/08/28/79/950082879.db2.gz YNXJCAWCZWIYJU-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575892626 950082901 /nfs/dbraw/zinc/08/29/01/950082901.db2.gz YNXJCAWCZWIYJU-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183353 950084549 /nfs/dbraw/zinc/08/45/49/950084549.db2.gz PXFCKSIMUZBECV-NWDGAFQWSA-N -1 1 383.416 0.206 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575893609 950089692 /nfs/dbraw/zinc/08/96/92/950089692.db2.gz AXHBDNBYSLZDST-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575893609 950089713 /nfs/dbraw/zinc/08/97/13/950089713.db2.gz AXHBDNBYSLZDST-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM CC(=O)NCCN(C(=O)CCN1CCN(c2ccccn2)CC1)[C@H](C)C(=O)[O-] ZINC000262232369 950092433 /nfs/dbraw/zinc/09/24/33/950092433.db2.gz NIZPQCAWSUCMQG-OAHLLOKOSA-N -1 1 391.472 0.032 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)CCCCC1 ZINC001575582038 950096610 /nfs/dbraw/zinc/09/66/10/950096610.db2.gz CIWJSDFKSWVIII-SFHVURJKSA-N -1 1 386.460 0.685 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)CCCCC1 ZINC001575582038 950096634 /nfs/dbraw/zinc/09/66/34/950096634.db2.gz CIWJSDFKSWVIII-SFHVURJKSA-N -1 1 386.460 0.685 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733162 950099595 /nfs/dbraw/zinc/09/95/95/950099595.db2.gz UKMLKXAOSSEUBT-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733162 950099616 /nfs/dbraw/zinc/09/96/16/950099616.db2.gz UKMLKXAOSSEUBT-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001574492633 950100291 /nfs/dbraw/zinc/10/02/91/950100291.db2.gz CETUGMZZUVULNJ-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001574492633 950100317 /nfs/dbraw/zinc/10/03/17/950100317.db2.gz CETUGMZZUVULNJ-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574492732 950101846 /nfs/dbraw/zinc/10/18/46/950101846.db2.gz PKPBOWTXHCHTFD-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574492732 950101856 /nfs/dbraw/zinc/10/18/56/950101856.db2.gz PKPBOWTXHCHTFD-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183877 950104953 /nfs/dbraw/zinc/10/49/53/950104953.db2.gz RYDNGSRJFUZCOP-VHSXEESVSA-N -1 1 384.366 0.928 20 0 GCADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183878 950106037 /nfs/dbraw/zinc/10/60/37/950106037.db2.gz RYDNGSRJFUZCOP-ZJUUUORDSA-N -1 1 384.366 0.928 20 0 GCADMM CC1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCCC2)CCOCC1 ZINC001575582244 950107793 /nfs/dbraw/zinc/10/77/93/950107793.db2.gz HCTQQVWQHVPFEP-UHFFFAOYSA-N -1 1 386.460 0.736 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574492966 950109502 /nfs/dbraw/zinc/10/95/02/950109502.db2.gz PWIBGCYZIWWMPM-HIFPTAJRSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184093 950115684 /nfs/dbraw/zinc/11/56/84/950115684.db2.gz TWLJLHABOXXNME-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184093 950115695 /nfs/dbraw/zinc/11/56/95/950115695.db2.gz TWLJLHABOXXNME-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574733631 950118340 /nfs/dbraw/zinc/11/83/40/950118340.db2.gz DZWSIHRMFHKYCR-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574733631 950118350 /nfs/dbraw/zinc/11/83/50/950118350.db2.gz DZWSIHRMFHKYCR-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184279 950120016 /nfs/dbraw/zinc/12/00/16/950120016.db2.gz VTJIRNLTCQTBHJ-GWCFXTLKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184279 950120039 /nfs/dbraw/zinc/12/00/39/950120039.db2.gz VTJIRNLTCQTBHJ-GWCFXTLKSA-N -1 1 383.420 0.138 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575582727 950124744 /nfs/dbraw/zinc/12/47/44/950124744.db2.gz GEDJQPJJKNHUCB-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575582727 950124758 /nfs/dbraw/zinc/12/47/58/950124758.db2.gz GEDJQPJJKNHUCB-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184360 950125721 /nfs/dbraw/zinc/12/57/21/950125721.db2.gz VEEDTIBRERLQCZ-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184360 950125733 /nfs/dbraw/zinc/12/57/33/950125733.db2.gz VEEDTIBRERLQCZ-NWDGAFQWSA-N -1 1 382.432 0.519 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)CC1 ZINC001575582644 950126497 /nfs/dbraw/zinc/12/64/97/950126497.db2.gz LWOHHOAGZHVJOT-AWEZNQCLSA-N -1 1 383.865 0.834 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574493454 950131947 /nfs/dbraw/zinc/13/19/47/950131947.db2.gz HATIFRCFMNMSJU-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574493454 950131959 /nfs/dbraw/zinc/13/19/59/950131959.db2.gz HATIFRCFMNMSJU-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184453 950134322 /nfs/dbraw/zinc/13/43/22/950134322.db2.gz VTFWMJODSFENOW-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184453 950134336 /nfs/dbraw/zinc/13/43/36/950134336.db2.gz VTFWMJODSFENOW-STQMWFEESA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184753 950140691 /nfs/dbraw/zinc/14/06/91/950140691.db2.gz XLKYAVBGEXBZSH-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184753 950140700 /nfs/dbraw/zinc/14/07/00/950140700.db2.gz XLKYAVBGEXBZSH-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184751 950141020 /nfs/dbraw/zinc/14/10/20/950141020.db2.gz XLKYAVBGEXBZSH-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184751 950141031 /nfs/dbraw/zinc/14/10/31/950141031.db2.gz XLKYAVBGEXBZSH-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184705 950141524 /nfs/dbraw/zinc/14/15/24/950141524.db2.gz WZYIZNFWBCICFE-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184705 950141539 /nfs/dbraw/zinc/14/15/39/950141539.db2.gz WZYIZNFWBCICFE-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184741 950142102 /nfs/dbraw/zinc/14/21/02/950142102.db2.gz XJTQZGQBSIAVRZ-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184741 950142116 /nfs/dbraw/zinc/14/21/16/950142116.db2.gz XJTQZGQBSIAVRZ-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574493996 950144601 /nfs/dbraw/zinc/14/46/01/950144601.db2.gz WHTJFIKNMUWAIL-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574493996 950144615 /nfs/dbraw/zinc/14/46/15/950144615.db2.gz WHTJFIKNMUWAIL-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575583662 950149781 /nfs/dbraw/zinc/14/97/81/950149781.db2.gz MWBWVDPCQJJTEJ-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575583662 950149792 /nfs/dbraw/zinc/14/97/92/950149792.db2.gz MWBWVDPCQJJTEJ-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575583593 950151746 /nfs/dbraw/zinc/15/17/46/950151746.db2.gz MJWQCWFXWPXYSW-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575583593 950151770 /nfs/dbraw/zinc/15/17/70/950151770.db2.gz MJWQCWFXWPXYSW-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001574494182 950155155 /nfs/dbraw/zinc/15/51/55/950155155.db2.gz JEWABWDVDFDFTL-VXGBXAGGSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001574494182 950155178 /nfs/dbraw/zinc/15/51/78/950155178.db2.gz JEWABWDVDFDFTL-VXGBXAGGSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190428 950162737 /nfs/dbraw/zinc/16/27/37/950162737.db2.gz BIMWFCSXXDULKF-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190428 950162746 /nfs/dbraw/zinc/16/27/46/950162746.db2.gz BIMWFCSXXDULKF-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190429 950163485 /nfs/dbraw/zinc/16/34/85/950163485.db2.gz BIMWFCSXXDULKF-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190429 950163493 /nfs/dbraw/zinc/16/34/93/950163493.db2.gz BIMWFCSXXDULKF-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574494509 950164865 /nfs/dbraw/zinc/16/48/65/950164865.db2.gz KKMWESPUOBSMIM-NEPJUHHUSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574494509 950164878 /nfs/dbraw/zinc/16/48/78/950164878.db2.gz KKMWESPUOBSMIM-NEPJUHHUSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574494435 950165154 /nfs/dbraw/zinc/16/51/54/950165154.db2.gz YQDJONIGZBKGJU-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190622 950166758 /nfs/dbraw/zinc/16/67/58/950166758.db2.gz BXGFSRSKWALIBV-VGBQHSPPSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190622 950166769 /nfs/dbraw/zinc/16/67/69/950166769.db2.gz BXGFSRSKWALIBV-VGBQHSPPSA-N -1 1 384.444 0.446 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)COC(C)(C)C ZINC001574154473 950168213 /nfs/dbraw/zinc/16/82/13/950168213.db2.gz FATZBHQVNXZRBD-LBPRGKRZSA-N -1 1 376.465 0.837 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574494565 950169803 /nfs/dbraw/zinc/16/98/03/950169803.db2.gz LFLKNQPNYJYKHO-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574494565 950169822 /nfs/dbraw/zinc/16/98/22/950169822.db2.gz LFLKNQPNYJYKHO-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575584399 950170675 /nfs/dbraw/zinc/17/06/75/950170675.db2.gz QMFDEYGVGMCTPM-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)COC(C)(C)C ZINC001574154470 950170776 /nfs/dbraw/zinc/17/07/76/950170776.db2.gz FATZBHQVNXZRBD-GFCCVEGCSA-N -1 1 376.465 0.837 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575899708 950172939 /nfs/dbraw/zinc/17/29/39/950172939.db2.gz YFYDWEJITWDSPQ-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575899708 950172954 /nfs/dbraw/zinc/17/29/54/950172954.db2.gz YFYDWEJITWDSPQ-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(Br)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574982628 950176844 /nfs/dbraw/zinc/17/68/44/950176844.db2.gz FWZBNXXUKZXNKB-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(Br)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574982628 950176859 /nfs/dbraw/zinc/17/68/59/950176859.db2.gz FWZBNXXUKZXNKB-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575584822 950181793 /nfs/dbraw/zinc/18/17/93/950181793.db2.gz TVWTUDHXEHCRLV-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575584822 950181801 /nfs/dbraw/zinc/18/18/01/950181801.db2.gz TVWTUDHXEHCRLV-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1-c1ccoc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574982769 950182842 /nfs/dbraw/zinc/18/28/42/950182842.db2.gz GSJLDCIWTARILN-SECBINFHSA-N -1 1 380.372 0.870 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccon1 ZINC001574155261 950188927 /nfs/dbraw/zinc/18/89/27/950188927.db2.gz KRVDYXHZPYYGRZ-ZDUSSCGKSA-N -1 1 385.432 0.642 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191139 950189093 /nfs/dbraw/zinc/18/90/93/950189093.db2.gz DQALDLNOMQXDRR-NEPJUHHUSA-N -1 1 380.416 0.079 20 0 GCADMM C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574494936 950191805 /nfs/dbraw/zinc/19/18/05/950191805.db2.gz QLCQRDIIGQZUEY-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574494936 950191820 /nfs/dbraw/zinc/19/18/20/950191820.db2.gz QLCQRDIIGQZUEY-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001574155491 950192368 /nfs/dbraw/zinc/19/23/68/950192368.db2.gz MDQQLMMTLBOXGU-ZIAGYGMSSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574982951 950192669 /nfs/dbraw/zinc/19/26/69/950192669.db2.gz IKHQVMDSADNVGZ-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574982951 950192679 /nfs/dbraw/zinc/19/26/79/950192679.db2.gz IKHQVMDSADNVGZ-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574982936 950193795 /nfs/dbraw/zinc/19/37/95/950193795.db2.gz HWPJRWGGHLRYAH-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574982936 950193805 /nfs/dbraw/zinc/19/38/05/950193805.db2.gz HWPJRWGGHLRYAH-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cccn1 ZINC001574155535 950197154 /nfs/dbraw/zinc/19/71/54/950197154.db2.gz NDNRHLQWQLMZPR-ZDUSSCGKSA-N -1 1 384.448 0.308 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H](c2ccco2)C1 ZINC001576191382 950198144 /nfs/dbraw/zinc/19/81/44/950198144.db2.gz HJYPIWPLVVARKV-PWSUYJOCSA-N -1 1 385.384 0.722 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001574155637 950202448 /nfs/dbraw/zinc/20/24/48/950202448.db2.gz PIPNMRYTZJXPOM-ZIAGYGMSSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191730 950208288 /nfs/dbraw/zinc/20/82/88/950208288.db2.gz HXXZQWGBMQXDOB-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191730 950208310 /nfs/dbraw/zinc/20/83/10/950208310.db2.gz HXXZQWGBMQXDOB-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191890 950214510 /nfs/dbraw/zinc/21/45/10/950214510.db2.gz IVTIKHKFXSZPRN-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191890 950214526 /nfs/dbraw/zinc/21/45/26/950214526.db2.gz IVTIKHKFXSZPRN-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574156029 950216342 /nfs/dbraw/zinc/21/63/42/950216342.db2.gz UQOKJIPRGFLBBP-NWDGAFQWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574156029 950216358 /nfs/dbraw/zinc/21/63/58/950216358.db2.gz UQOKJIPRGFLBBP-NWDGAFQWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574155994 950219456 /nfs/dbraw/zinc/21/94/56/950219456.db2.gz TXNOMLFWDIBPQS-MEDUHNTESA-N -1 1 378.412 0.150 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574156063 950219997 /nfs/dbraw/zinc/21/99/97/950219997.db2.gz VTNDRSBIWWWGAB-SNVBAGLBSA-N -1 1 386.420 0.352 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191974 950220319 /nfs/dbraw/zinc/22/03/19/950220319.db2.gz KXSLSMKQRQNSSN-QWHCGFSZSA-N -1 1 381.444 0.627 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191976 950221046 /nfs/dbraw/zinc/22/10/46/950221046.db2.gz KXSLSMKQRQNSSN-STQMWFEESA-N -1 1 381.444 0.627 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901161 950221976 /nfs/dbraw/zinc/22/19/76/950221976.db2.gz LTTVXYZFRFPHQY-ONGXEEELSA-N -1 1 382.384 0.328 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574156062 950222666 /nfs/dbraw/zinc/22/26/66/950222666.db2.gz VTNDRSBIWWWGAB-JTQLQIEISA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574156147 950226999 /nfs/dbraw/zinc/22/69/99/950226999.db2.gz XPHOKQXMUJOSNU-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574156147 950227010 /nfs/dbraw/zinc/22/70/10/950227010.db2.gz XPHOKQXMUJOSNU-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574740701 950229162 /nfs/dbraw/zinc/22/91/62/950229162.db2.gz FFGZKVUBOSZWCO-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574740701 950229182 /nfs/dbraw/zinc/22/91/82/950229182.db2.gz FFGZKVUBOSZWCO-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1cn[nH]c1 ZINC001574156181 950229732 /nfs/dbraw/zinc/22/97/32/950229732.db2.gz YNIKNZNNBFCUSE-ZDUSSCGKSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1cn[nH]c1 ZINC001574156181 950229747 /nfs/dbraw/zinc/22/97/47/950229747.db2.gz YNIKNZNNBFCUSE-ZDUSSCGKSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573845725 950237348 /nfs/dbraw/zinc/23/73/48/950237348.db2.gz JRJOXMQQNPHJOL-QWHCGFSZSA-N -1 1 388.476 0.962 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573845725 950237367 /nfs/dbraw/zinc/23/73/67/950237367.db2.gz JRJOXMQQNPHJOL-QWHCGFSZSA-N -1 1 388.476 0.962 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CO[C@@H]1CCOC1 ZINC001574157547 950243497 /nfs/dbraw/zinc/24/34/97/950243497.db2.gz CRDXVWVOSZPMCV-QWHCGFSZSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CO[C@@H]1CCOC1 ZINC001574157547 950243517 /nfs/dbraw/zinc/24/35/17/950243517.db2.gz CRDXVWVOSZPMCV-QWHCGFSZSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574157642 950245099 /nfs/dbraw/zinc/24/50/99/950245099.db2.gz FSUORTVPVHJDIS-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574157642 950245116 /nfs/dbraw/zinc/24/51/16/950245116.db2.gz FSUORTVPVHJDIS-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnn1 ZINC001574157611 950245895 /nfs/dbraw/zinc/24/58/95/950245895.db2.gz FENZPMCMWVORRP-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnn1 ZINC001574157611 950245912 /nfs/dbraw/zinc/24/59/12/950245912.db2.gz FENZPMCMWVORRP-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573849777 950265621 /nfs/dbraw/zinc/26/56/21/950265621.db2.gz BNTNCYXXICFVNA-VIFPVBQESA-N -1 1 379.402 0.426 20 0 GCADMM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573849777 950265644 /nfs/dbraw/zinc/26/56/44/950265644.db2.gz BNTNCYXXICFVNA-VIFPVBQESA-N -1 1 379.402 0.426 20 0 GCADMM C[C@@]1(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575589748 950268579 /nfs/dbraw/zinc/26/85/79/950268579.db2.gz XXQWSNZXNRSCGM-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575589748 950268601 /nfs/dbraw/zinc/26/86/01/950268601.db2.gz XXQWSNZXNRSCGM-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192840 950269481 /nfs/dbraw/zinc/26/94/81/950269481.db2.gz PUWXPFCNQHDXDR-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192840 950269503 /nfs/dbraw/zinc/26/95/03/950269503.db2.gz PUWXPFCNQHDXDR-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574158138 950271055 /nfs/dbraw/zinc/27/10/55/950271055.db2.gz OVCAUCXKEXVIRZ-GFCCVEGCSA-N -1 1 383.416 0.436 20 0 GCADMM C[C@@]1(C(=O)NCCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575592012 950273944 /nfs/dbraw/zinc/27/39/44/950273944.db2.gz AEQRXRYCEDBLJK-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192899 950274270 /nfs/dbraw/zinc/27/42/70/950274270.db2.gz RFIDKUXNQDSVBS-STQMWFEESA-N -1 1 379.428 0.684 20 0 GCADMM C[C@H](CC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CC1 ZINC001574498450 950274428 /nfs/dbraw/zinc/27/44/28/950274428.db2.gz NMVMTSBXZOIPQN-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CC1 ZINC001574498450 950274446 /nfs/dbraw/zinc/27/44/46/950274446.db2.gz NMVMTSBXZOIPQN-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)n1cccn1 ZINC001574498479 950274967 /nfs/dbraw/zinc/27/49/67/950274967.db2.gz NXKBSMDXEUMZEU-LBPRGKRZSA-N -1 1 382.432 0.377 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574498435 950275289 /nfs/dbraw/zinc/27/52/89/950275289.db2.gz NGNCIFLZWRDIKC-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574498435 950275310 /nfs/dbraw/zinc/27/53/10/950275310.db2.gz NGNCIFLZWRDIKC-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574158270 950276749 /nfs/dbraw/zinc/27/67/49/950276749.db2.gz QDGNWZFLJOVFOZ-DGAVXFQQSA-N -1 1 386.460 0.589 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C)c1N ZINC001574158425 950278013 /nfs/dbraw/zinc/27/80/13/950278013.db2.gz AEDCJGYVMCEAEF-SNVBAGLBSA-N -1 1 385.436 0.229 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C)c1N ZINC001574158425 950278029 /nfs/dbraw/zinc/27/80/29/950278029.db2.gz AEDCJGYVMCEAEF-SNVBAGLBSA-N -1 1 385.436 0.229 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574498869 950288641 /nfs/dbraw/zinc/28/86/41/950288641.db2.gz QPHWVYJBRWORHI-OCCSQVGLSA-N -1 1 382.428 0.161 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574742595 950296296 /nfs/dbraw/zinc/29/62/96/950296296.db2.gz PNQFAAFBDADVAF-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM CC1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001575592856 950301359 /nfs/dbraw/zinc/30/13/59/950301359.db2.gz CUHILGWEIOLLLK-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001575592856 950301381 /nfs/dbraw/zinc/30/13/81/950301381.db2.gz CUHILGWEIOLLLK-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)CCCCC1 ZINC001575592910 950302790 /nfs/dbraw/zinc/30/27/90/950302790.db2.gz DDHGYTUQHWYIIL-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)CCCCC1 ZINC001575592910 950302806 /nfs/dbraw/zinc/30/28/06/950302806.db2.gz DDHGYTUQHWYIIL-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193655 950306015 /nfs/dbraw/zinc/30/60/15/950306015.db2.gz VZZBTRFCHAFZBF-JSGCOSHPSA-N -1 1 379.428 0.684 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193629 950308220 /nfs/dbraw/zinc/30/82/20/950308220.db2.gz UYHZEKIKZPGENT-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193629 950308244 /nfs/dbraw/zinc/30/82/44/950308244.db2.gz UYHZEKIKZPGENT-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193606 950308354 /nfs/dbraw/zinc/30/83/54/950308354.db2.gz UTTJXKSFNZKXQJ-NXEZZACHSA-N -1 1 386.395 0.151 20 0 GCADMM C[C@@]1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575593209 950308977 /nfs/dbraw/zinc/30/89/77/950308977.db2.gz MUCMZFDPBTWXPO-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cncn1C ZINC001574159430 950313665 /nfs/dbraw/zinc/31/36/65/950313665.db2.gz HUBUYLGEOMEGFU-LBPRGKRZSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cncn1C ZINC001574159430 950313687 /nfs/dbraw/zinc/31/36/87/950313687.db2.gz HUBUYLGEOMEGFU-LBPRGKRZSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)(C)OC(=O)N1CC(O)(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001573853168 950315402 /nfs/dbraw/zinc/31/54/02/950315402.db2.gz MMMWDESBTPBNGV-UHFFFAOYSA-N -1 1 390.404 0.388 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193899 950317780 /nfs/dbraw/zinc/31/77/80/950317780.db2.gz VWLYUEGFUIHRIJ-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193899 950317803 /nfs/dbraw/zinc/31/78/03/950317803.db2.gz VWLYUEGFUIHRIJ-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573853484 950322813 /nfs/dbraw/zinc/32/28/13/950322813.db2.gz QERFFFPQTXPXQM-SNVBAGLBSA-N -1 1 391.436 0.220 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1ccnc1 ZINC001574159800 950323090 /nfs/dbraw/zinc/32/30/90/950323090.db2.gz JEXUMFBUWFVESO-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1ccnc1 ZINC001574159800 950323112 /nfs/dbraw/zinc/32/31/12/950323112.db2.gz JEXUMFBUWFVESO-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193986 950323194 /nfs/dbraw/zinc/32/31/94/950323194.db2.gz WYONUFJISRVCMR-VXGBXAGGSA-N -1 1 380.416 0.079 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193949 950324035 /nfs/dbraw/zinc/32/40/35/950324035.db2.gz WSQYQMWZTYIDQC-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193949 950324058 /nfs/dbraw/zinc/32/40/58/950324058.db2.gz WSQYQMWZTYIDQC-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194448 950341262 /nfs/dbraw/zinc/34/12/62/950341262.db2.gz ZZPJVSVLYMVQMT-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574501878 950346258 /nfs/dbraw/zinc/34/62/58/950346258.db2.gz HCMKELXJSKSPSL-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574502027 950353741 /nfs/dbraw/zinc/35/37/41/950353741.db2.gz IDKZBAPIKRGTRS-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574502027 950353764 /nfs/dbraw/zinc/35/37/64/950353764.db2.gz IDKZBAPIKRGTRS-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574161319 950357773 /nfs/dbraw/zinc/35/77/73/950357773.db2.gz SXUQPTDQIPAPNZ-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574161319 950357794 /nfs/dbraw/zinc/35/77/94/950357794.db2.gz SXUQPTDQIPAPNZ-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574161529 950363734 /nfs/dbraw/zinc/36/37/34/950363734.db2.gz VSKHBFZLYRFEMW-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574161529 950363756 /nfs/dbraw/zinc/36/37/56/950363756.db2.gz VSKHBFZLYRFEMW-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CC1 ZINC001574502212 950363984 /nfs/dbraw/zinc/36/39/84/950363984.db2.gz KNYCAIIZNPIYRF-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CC1 ZINC001574502212 950364004 /nfs/dbraw/zinc/36/40/04/950364004.db2.gz KNYCAIIZNPIYRF-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574745139 950374357 /nfs/dbraw/zinc/37/43/57/950374357.db2.gz FNAQHDFKJOULIS-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574745139 950374377 /nfs/dbraw/zinc/37/43/77/950374377.db2.gz FNAQHDFKJOULIS-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574745211 950378217 /nfs/dbraw/zinc/37/82/17/950378217.db2.gz HFULQIVYHAKLRC-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574745211 950378244 /nfs/dbraw/zinc/37/82/44/950378244.db2.gz HFULQIVYHAKLRC-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574745287 950379248 /nfs/dbraw/zinc/37/92/48/950379248.db2.gz HVOOFESGRBYYBC-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574745287 950379271 /nfs/dbraw/zinc/37/92/71/950379271.db2.gz HVOOFESGRBYYBC-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574162428 950381626 /nfs/dbraw/zinc/38/16/26/950381626.db2.gz ADYMGMQIZUXVMW-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574162428 950381650 /nfs/dbraw/zinc/38/16/50/950381650.db2.gz ADYMGMQIZUXVMW-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574502413 950382264 /nfs/dbraw/zinc/38/22/64/950382264.db2.gz NDIGEGLPHWXDCY-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574502413 950382288 /nfs/dbraw/zinc/38/22/88/950382288.db2.gz NDIGEGLPHWXDCY-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574502416 950382535 /nfs/dbraw/zinc/38/25/35/950382535.db2.gz NDIGEGLPHWXDCY-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574502416 950382551 /nfs/dbraw/zinc/38/25/51/950382551.db2.gz NDIGEGLPHWXDCY-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCNC1=O ZINC001574162488 950383743 /nfs/dbraw/zinc/38/37/43/950383743.db2.gz BNNYGYZPTFOWEZ-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCNC1=O ZINC001574162488 950383768 /nfs/dbraw/zinc/38/37/68/950383768.db2.gz BNNYGYZPTFOWEZ-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574502507 950386749 /nfs/dbraw/zinc/38/67/49/950386749.db2.gz ONGYZDGAVDDCJD-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574502507 950386770 /nfs/dbraw/zinc/38/67/70/950386770.db2.gz ONGYZDGAVDDCJD-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cnn(C)c1 ZINC001574162606 950388222 /nfs/dbraw/zinc/38/82/22/950388222.db2.gz FHUUBYFBEMDUFE-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cnn(C)c1 ZINC001574162606 950388241 /nfs/dbraw/zinc/38/82/41/950388241.db2.gz FHUUBYFBEMDUFE-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cnn(C)c1 ZINC001574162605 950388693 /nfs/dbraw/zinc/38/86/93/950388693.db2.gz FHUUBYFBEMDUFE-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cnn(C)c1 ZINC001574162605 950388709 /nfs/dbraw/zinc/38/87/09/950388709.db2.gz FHUUBYFBEMDUFE-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574502831 950391802 /nfs/dbraw/zinc/39/18/02/950391802.db2.gz QUBCEFJRIOVGLZ-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574502831 950391821 /nfs/dbraw/zinc/39/18/21/950391821.db2.gz QUBCEFJRIOVGLZ-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574162711 950399950 /nfs/dbraw/zinc/39/99/50/950399950.db2.gz HJZQRYYCIUTRMQ-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574162711 950399967 /nfs/dbraw/zinc/39/99/67/950399967.db2.gz HJZQRYYCIUTRMQ-NWDGAFQWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573860378 950420700 /nfs/dbraw/zinc/42/07/00/950420700.db2.gz ICEKQZZCFVVREY-NSHDSACASA-N -1 1 377.405 0.154 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573860378 950420716 /nfs/dbraw/zinc/42/07/16/950420716.db2.gz ICEKQZZCFVVREY-NSHDSACASA-N -1 1 377.405 0.154 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CNC(=O)C1CC1 ZINC001574163351 950421765 /nfs/dbraw/zinc/42/17/65/950421765.db2.gz SFKXZARZNITRAD-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CNC(=O)C1CC1 ZINC001574163351 950421773 /nfs/dbraw/zinc/42/17/73/950421773.db2.gz SFKXZARZNITRAD-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574163766 950432300 /nfs/dbraw/zinc/43/23/00/950432300.db2.gz XSNYOOZJLGYLGK-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574163766 950432308 /nfs/dbraw/zinc/43/23/08/950432308.db2.gz XSNYOOZJLGYLGK-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911159 950438271 /nfs/dbraw/zinc/43/82/71/950438271.db2.gz DJGUJKSVJQNZCX-RYUDHWBXSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911159 950438284 /nfs/dbraw/zinc/43/82/84/950438284.db2.gz DJGUJKSVJQNZCX-RYUDHWBXSA-N -1 1 385.432 0.071 20 0 GCADMM CC(C)CC1(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574165252 950439782 /nfs/dbraw/zinc/43/97/82/950439782.db2.gz ASUAVGYISOZQNG-CYBMUJFWSA-N -1 1 388.476 0.574 20 0 GCADMM CC(C)CC1(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574165254 950442411 /nfs/dbraw/zinc/44/24/11/950442411.db2.gz ASUAVGYISOZQNG-ZDUSSCGKSA-N -1 1 388.476 0.574 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575911445 950443566 /nfs/dbraw/zinc/44/35/66/950443566.db2.gz DPWXXIIIEWQKSO-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575911445 950443575 /nfs/dbraw/zinc/44/35/75/950443575.db2.gz DPWXXIIIEWQKSO-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574750769 950443880 /nfs/dbraw/zinc/44/38/80/950443880.db2.gz HNKJJQVVXJPVRY-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574750769 950443888 /nfs/dbraw/zinc/44/38/88/950443888.db2.gz HNKJJQVVXJPVRY-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCCOC1 ZINC001573861298 950444658 /nfs/dbraw/zinc/44/46/58/950444658.db2.gz XOPHMOGQXOOPDO-MRXNPFEDSA-N -1 1 392.420 0.850 20 0 GCADMM CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCCOC1 ZINC001573861298 950444673 /nfs/dbraw/zinc/44/46/73/950444673.db2.gz XOPHMOGQXOOPDO-MRXNPFEDSA-N -1 1 392.420 0.850 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]2O)CCC1 ZINC001575604947 950449990 /nfs/dbraw/zinc/44/99/90/950449990.db2.gz HDFFGWRCYMJZTM-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]2O)CCC1 ZINC001575604947 950450008 /nfs/dbraw/zinc/45/00/08/950450008.db2.gz HDFFGWRCYMJZTM-HTQZYQBOSA-N -1 1 383.865 0.833 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CCC1 ZINC001574165571 950450630 /nfs/dbraw/zinc/45/06/30/950450630.db2.gz HYYMHGWNIYIODU-OLZOCXBDSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574507329 950454554 /nfs/dbraw/zinc/45/45/54/950454554.db2.gz HWOGJYWPSWYDKJ-MGPQQGTHSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC001574508191 950474346 /nfs/dbraw/zinc/47/43/46/950474346.db2.gz KISHPDCTRXYRTE-JTQLQIEISA-N -1 1 387.375 0.578 20 0 GCADMM CC(C)CCC(=O)N(C)CCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574167337 950481537 /nfs/dbraw/zinc/48/15/37/950481537.db2.gz ATOGRERYOKCBSZ-UHFFFAOYSA-N -1 1 387.492 0.673 20 0 GCADMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)o1)C2 ZINC001573863625 950483793 /nfs/dbraw/zinc/48/37/93/950483793.db2.gz MYAIDSMAVYNNIY-BTDLBPIBSA-N -1 1 375.385 0.890 20 0 GCADMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)o1)C2 ZINC001573863625 950483810 /nfs/dbraw/zinc/48/38/10/950483810.db2.gz MYAIDSMAVYNNIY-BTDLBPIBSA-N -1 1 375.385 0.890 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)[C@@H]1CCCO1 ZINC001574508708 950485781 /nfs/dbraw/zinc/48/57/81/950485781.db2.gz MQMYMTIPOJKLQP-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)[C@H]1CCCO1 ZINC001574508710 950487050 /nfs/dbraw/zinc/48/70/50/950487050.db2.gz MQMYMTIPOJKLQP-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574509236 950500841 /nfs/dbraw/zinc/50/08/41/950500841.db2.gz TZIMRYQUFYWIHV-UPJWGTAASA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CNC(=O)c1cc(-n2cccn2)ccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574995020 950501351 /nfs/dbraw/zinc/50/13/51/950501351.db2.gz CBIIJZODOSTGRE-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1cc(-n2cccn2)ccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574995020 950501362 /nfs/dbraw/zinc/50/13/62/950501362.db2.gz CBIIJZODOSTGRE-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574995308 950505498 /nfs/dbraw/zinc/50/54/98/950505498.db2.gz DFULCJAQFUDHMM-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574995308 950505516 /nfs/dbraw/zinc/50/55/16/950505516.db2.gz DFULCJAQFUDHMM-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573866907 950515687 /nfs/dbraw/zinc/51/56/87/950515687.db2.gz NJYHMDJQWKKQAC-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573866907 950515705 /nfs/dbraw/zinc/51/57/05/950515705.db2.gz NJYHMDJQWKKQAC-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574995983 950518951 /nfs/dbraw/zinc/51/89/51/950518951.db2.gz JDZVSQQQLLKTHF-LLVKDONJSA-N -1 1 384.448 0.414 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574996013 950520051 /nfs/dbraw/zinc/52/00/51/950520051.db2.gz JQCRFKXMOXJKRA-SSDOTTSWSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574996013 950520068 /nfs/dbraw/zinc/52/00/68/950520068.db2.gz JQCRFKXMOXJKRA-SSDOTTSWSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@H](CC(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574509657 950521113 /nfs/dbraw/zinc/52/11/13/950521113.db2.gz UTGBDUZWVXYOJF-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](CC(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574509657 950521133 /nfs/dbraw/zinc/52/11/33/950521133.db2.gz UTGBDUZWVXYOJF-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ncccn1 ZINC001575915758 950521371 /nfs/dbraw/zinc/52/13/71/950521371.db2.gz ODPXRKZIKWTPMA-NEPJUHHUSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ncccn1 ZINC001575915758 950521385 /nfs/dbraw/zinc/52/13/85/950521385.db2.gz ODPXRKZIKWTPMA-NEPJUHHUSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574509714 950525832 /nfs/dbraw/zinc/52/58/32/950525832.db2.gz XPWODZTXXMYQAK-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574509714 950525852 /nfs/dbraw/zinc/52/58/52/950525852.db2.gz XPWODZTXXMYQAK-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573867421 950532786 /nfs/dbraw/zinc/53/27/86/950532786.db2.gz ZJOCHVAUXDWVFD-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)OCC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573868520 950542256 /nfs/dbraw/zinc/54/22/56/950542256.db2.gz DBHUYMOSARVCMZ-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C)OCC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573868520 950542271 /nfs/dbraw/zinc/54/22/71/950542271.db2.gz DBHUYMOSARVCMZ-UHFFFAOYSA-N -1 1 390.448 0.549 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574997411 950544901 /nfs/dbraw/zinc/54/49/01/950544901.db2.gz UPOFHQHSTKQUQS-SNVBAGLBSA-N -1 1 392.379 0.994 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574997411 950544920 /nfs/dbraw/zinc/54/49/20/950544920.db2.gz UPOFHQHSTKQUQS-SNVBAGLBSA-N -1 1 392.379 0.994 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753882 950548201 /nfs/dbraw/zinc/54/82/01/950548201.db2.gz USVXEKZPFCBOMM-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753882 950548217 /nfs/dbraw/zinc/54/82/17/950548217.db2.gz USVXEKZPFCBOMM-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574997692 950548938 /nfs/dbraw/zinc/54/89/38/950548938.db2.gz WJPPIYBSDFAJET-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574997692 950548957 /nfs/dbraw/zinc/54/89/57/950548957.db2.gz WJPPIYBSDFAJET-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)CC(C)(C)C ZINC001574511202 950553488 /nfs/dbraw/zinc/55/34/88/950553488.db2.gz HMRDLJYBPHAANR-BNOWGMLFSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)CC(C)(C)C ZINC001574511202 950553500 /nfs/dbraw/zinc/55/35/00/950553500.db2.gz HMRDLJYBPHAANR-BNOWGMLFSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)CC(C)(C)C ZINC001574511221 950555855 /nfs/dbraw/zinc/55/58/55/950555855.db2.gz IKVCIDVZUZMECK-MRVWCRGKSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)CC(C)(C)C ZINC001574511221 950555875 /nfs/dbraw/zinc/55/58/75/950555875.db2.gz IKVCIDVZUZMECK-MRVWCRGKSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1ccnc1 ZINC001574511180 950556093 /nfs/dbraw/zinc/55/60/93/950556093.db2.gz HBJXBRRJXYZAHX-JHJVBQTASA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1ccnc1 ZINC001574511180 950556115 /nfs/dbraw/zinc/55/61/15/950556115.db2.gz HBJXBRRJXYZAHX-JHJVBQTASA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1ccnc1 ZINC001574511178 950557442 /nfs/dbraw/zinc/55/74/42/950557442.db2.gz HBJXBRRJXYZAHX-FRRDWIJNSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1ccnc1 ZINC001574511178 950557454 /nfs/dbraw/zinc/55/74/54/950557454.db2.gz HBJXBRRJXYZAHX-FRRDWIJNSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574998826 950557883 /nfs/dbraw/zinc/55/78/83/950557883.db2.gz BCIPFTRWCATUDJ-SSDOTTSWSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574998826 950557901 /nfs/dbraw/zinc/55/79/01/950557901.db2.gz BCIPFTRWCATUDJ-SSDOTTSWSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574999052 950571014 /nfs/dbraw/zinc/57/10/14/950571014.db2.gz FDSRWDBEASHIFC-SECBINFHSA-N -1 1 381.400 0.865 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574999052 950571029 /nfs/dbraw/zinc/57/10/29/950571029.db2.gz FDSRWDBEASHIFC-SECBINFHSA-N -1 1 381.400 0.865 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccco1 ZINC001574511690 950572677 /nfs/dbraw/zinc/57/26/77/950572677.db2.gz QITKCJYCNYBTPU-IJLUTSLNSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574999403 950579072 /nfs/dbraw/zinc/57/90/72/950579072.db2.gz JBTZXAGJOHIYQO-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574999403 950579092 /nfs/dbraw/zinc/57/90/92/950579092.db2.gz JBTZXAGJOHIYQO-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574999442 950579261 /nfs/dbraw/zinc/57/92/61/950579261.db2.gz JXVISRZMNZOYKA-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574999442 950579281 /nfs/dbraw/zinc/57/92/81/950579281.db2.gz JXVISRZMNZOYKA-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccncn1 ZINC001575917566 950579412 /nfs/dbraw/zinc/57/94/12/950579412.db2.gz ZFQXNSKJLGTPLS-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccncn1 ZINC001575917566 950579433 /nfs/dbraw/zinc/57/94/33/950579433.db2.gz ZFQXNSKJLGTPLS-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1nccnc1-c1nnn[n-]1 ZINC001574999412 950581063 /nfs/dbraw/zinc/58/10/63/950581063.db2.gz JCSMNBOOURUNJA-SNVBAGLBSA-N -1 1 386.420 0.184 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573870150 950585609 /nfs/dbraw/zinc/58/56/09/950585609.db2.gz FHKDHFPZSIWKOQ-SSDOTTSWSA-N -1 1 389.869 0.681 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575918131 950585960 /nfs/dbraw/zinc/58/59/60/950585960.db2.gz AMMDKVZXXXZFRW-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575918131 950585970 /nfs/dbraw/zinc/58/59/70/950585970.db2.gz AMMDKVZXXXZFRW-IUCAKERBSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574999787 950587597 /nfs/dbraw/zinc/58/75/97/950587597.db2.gz NRIHULHIRFUOED-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574999787 950587609 /nfs/dbraw/zinc/58/76/09/950587609.db2.gz NRIHULHIRFUOED-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575918157 950587744 /nfs/dbraw/zinc/58/77/44/950587744.db2.gz ATFMXXLYXDSVGZ-CHWSQXEVSA-N -1 1 382.432 0.157 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001574173161 950591135 /nfs/dbraw/zinc/59/11/35/950591135.db2.gz GOICJWNCGWVHJH-CQSZACIVSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001574173161 950591155 /nfs/dbraw/zinc/59/11/55/950591155.db2.gz GOICJWNCGWVHJH-CQSZACIVSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000594 950607114 /nfs/dbraw/zinc/60/71/14/950607114.db2.gz QSYULKOTZUDPKM-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575919357 950607610 /nfs/dbraw/zinc/60/76/10/950607610.db2.gz GZPUWXMYGWSEBP-GXSJLCMTSA-N -1 1 387.835 0.786 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)n1cccn1 ZINC001574513373 950610328 /nfs/dbraw/zinc/61/03/28/950610328.db2.gz QBWGROIQEXOKFQ-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)n1cccn1 ZINC001574513373 950610342 /nfs/dbraw/zinc/61/03/42/950610342.db2.gz QBWGROIQEXOKFQ-XQQFMLRXSA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000781 950611402 /nfs/dbraw/zinc/61/14/02/950611402.db2.gz SJJQEHBSMVYNRD-ZETCQYMHSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000781 950611411 /nfs/dbraw/zinc/61/14/11/950611411.db2.gz SJJQEHBSMVYNRD-ZETCQYMHSA-N -1 1 376.331 0.615 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574758526 950611605 /nfs/dbraw/zinc/61/16/05/950611605.db2.gz CNZNDJVWJNTGSN-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574758526 950611615 /nfs/dbraw/zinc/61/16/15/950611615.db2.gz CNZNDJVWJNTGSN-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574513701 950612258 /nfs/dbraw/zinc/61/22/58/950612258.db2.gz VUKWFDPWKBPIJJ-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574513701 950612273 /nfs/dbraw/zinc/61/22/73/950612273.db2.gz VUKWFDPWKBPIJJ-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575000803 950612298 /nfs/dbraw/zinc/61/22/98/950612298.db2.gz FSUXWLJIKVCBKI-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575000803 950612313 /nfs/dbraw/zinc/61/23/13/950612313.db2.gz FSUXWLJIKVCBKI-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575919585 950615132 /nfs/dbraw/zinc/61/51/32/950615132.db2.gz HXIHFDDQGXYAAO-FZMZJTMJSA-N -1 1 382.403 0.862 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575619144 950616304 /nfs/dbraw/zinc/61/63/04/950616304.db2.gz MYPSZSCAUZHLAP-NSHDSACASA-N -1 1 386.460 0.978 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575619144 950616318 /nfs/dbraw/zinc/61/63/18/950616318.db2.gz MYPSZSCAUZHLAP-NSHDSACASA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574513700 950616729 /nfs/dbraw/zinc/61/67/29/950616729.db2.gz VUKWFDPWKBPIJJ-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574513700 950616742 /nfs/dbraw/zinc/61/67/42/950616742.db2.gz VUKWFDPWKBPIJJ-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575919637 950620734 /nfs/dbraw/zinc/62/07/34/950620734.db2.gz JCQYNSWEKDNFEO-FZMZJTMJSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575001152 950621514 /nfs/dbraw/zinc/62/15/14/950621514.db2.gz UJFOEEHILPDCRD-ZCFIWIBFSA-N -1 1 382.215 0.944 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccn2ccnc12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758964 950622864 /nfs/dbraw/zinc/62/28/64/950622864.db2.gz IJRKVVYVZGSCNL-NSHDSACASA-N -1 1 378.400 0.299 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)C1(C)C ZINC001575619896 950628730 /nfs/dbraw/zinc/62/87/30/950628730.db2.gz TWDYPNLUOCOSGT-GHMZBOCLSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001501 950631541 /nfs/dbraw/zinc/63/15/41/950631541.db2.gz LRYVDMJGKOTERG-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001501 950631550 /nfs/dbraw/zinc/63/15/50/950631550.db2.gz LRYVDMJGKOTERG-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575920262 950631663 /nfs/dbraw/zinc/63/16/63/950631663.db2.gz MAFCSJITNLWVQT-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575920262 950631674 /nfs/dbraw/zinc/63/16/74/950631674.db2.gz MAFCSJITNLWVQT-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575920613 950632137 /nfs/dbraw/zinc/63/21/37/950632137.db2.gz MRVRVKLOZAPZFX-KCJUWKMLSA-N -1 1 387.354 0.467 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920625 950633089 /nfs/dbraw/zinc/63/30/89/950633089.db2.gz MRZYPLSEIDKWPA-GXSJLCMTSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2nc[nH]c21 ZINC001575921399 950637377 /nfs/dbraw/zinc/63/73/77/950637377.db2.gz NRYJWFGEZSQBKT-ZYHUDNBSSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574516424 950637430 /nfs/dbraw/zinc/63/74/30/950637430.db2.gz IHUJDVPUTAKWBU-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574516424 950637444 /nfs/dbraw/zinc/63/74/44/950637444.db2.gz IHUJDVPUTAKWBU-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1ccnc1 ZINC001574516970 950640270 /nfs/dbraw/zinc/64/02/70/950640270.db2.gz JJWBGOUDZUBUHG-YMEQNVIZSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575921623 950640344 /nfs/dbraw/zinc/64/03/44/950640344.db2.gz OCABZDSSYYAHFR-SMDDNHRTSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575001642 950641072 /nfs/dbraw/zinc/64/10/72/950641072.db2.gz XAKHITDQSXHKIG-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575001642 950641088 /nfs/dbraw/zinc/64/10/88/950641088.db2.gz XAKHITDQSXHKIG-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759731 950642369 /nfs/dbraw/zinc/64/23/69/950642369.db2.gz DKIGVKQBKOVUNS-NSHDSACASA-N -1 1 384.448 0.508 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575921669 950642388 /nfs/dbraw/zinc/64/23/88/950642388.db2.gz OEHXAGHBPLVPMD-CMPLNLGQSA-N -1 1 392.427 0.461 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@H]1CCCO1 ZINC001574517736 950648013 /nfs/dbraw/zinc/64/80/13/950648013.db2.gz LUPQGUYTJJXAOC-MMWXERNNSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@H]1CCCO1 ZINC001574517736 950648027 /nfs/dbraw/zinc/64/80/27/950648027.db2.gz LUPQGUYTJJXAOC-MMWXERNNSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575002092 950649905 /nfs/dbraw/zinc/64/99/05/950649905.db2.gz YXWOGQWGHPPLSC-SECBINFHSA-N -1 1 381.400 0.865 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575002092 950649917 /nfs/dbraw/zinc/64/99/17/950649917.db2.gz YXWOGQWGHPPLSC-SECBINFHSA-N -1 1 381.400 0.865 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001986 950651119 /nfs/dbraw/zinc/65/11/19/950651119.db2.gz XZOTWQURTLTQRC-ZETCQYMHSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001986 950651127 /nfs/dbraw/zinc/65/11/27/950651127.db2.gz XZOTWQURTLTQRC-ZETCQYMHSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575002168 950654243 /nfs/dbraw/zinc/65/42/43/950654243.db2.gz ZWGJRNZIEXIUQG-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575002168 950654250 /nfs/dbraw/zinc/65/42/50/950654250.db2.gz ZWGJRNZIEXIUQG-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575923267 950654199 /nfs/dbraw/zinc/65/41/99/950654199.db2.gz QCOUVJGLXXXAPE-ONGXEEELSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575923277 950654490 /nfs/dbraw/zinc/65/44/90/950654490.db2.gz QDJSQWDCWPLNHI-DTWKUNHWSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575923277 950654501 /nfs/dbraw/zinc/65/45/01/950654501.db2.gz QDJSQWDCWPLNHI-DTWKUNHWSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575923313 950658067 /nfs/dbraw/zinc/65/80/67/950658067.db2.gz QVNNKXFDRVANSN-KOLCDFICSA-N -1 1 381.400 0.659 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](O)CNc1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575623869 950658217 /nfs/dbraw/zinc/65/82/17/950658217.db2.gz LFEHLUMPSABKSY-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](O)CNc1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575623869 950658237 /nfs/dbraw/zinc/65/82/37/950658237.db2.gz LFEHLUMPSABKSY-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574760199 950659332 /nfs/dbraw/zinc/65/93/32/950659332.db2.gz UQLNWTFLWWFQSW-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574760199 950659343 /nfs/dbraw/zinc/65/93/43/950659343.db2.gz UQLNWTFLWWFQSW-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575923315 950660148 /nfs/dbraw/zinc/66/01/48/950660148.db2.gz QVNNKXFDRVANSN-ONGXEEELSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575002464 950660424 /nfs/dbraw/zinc/66/04/24/950660424.db2.gz UGSWVYUPRJGBRN-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575002464 950660439 /nfs/dbraw/zinc/66/04/39/950660439.db2.gz UGSWVYUPRJGBRN-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccncc1 ZINC001574518738 950661130 /nfs/dbraw/zinc/66/11/30/950661130.db2.gz QPIFVGJCKZSFDZ-HVOFVXBASA-N -1 1 391.439 0.796 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760326 950663698 /nfs/dbraw/zinc/66/36/98/950663698.db2.gz VTNZIVHVKXAHQK-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760326 950663713 /nfs/dbraw/zinc/66/37/13/950663713.db2.gz VTNZIVHVKXAHQK-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760329 950664701 /nfs/dbraw/zinc/66/47/01/950664701.db2.gz VTNZIVHVKXAHQK-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760329 950664709 /nfs/dbraw/zinc/66/47/09/950664709.db2.gz VTNZIVHVKXAHQK-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575924044 950666745 /nfs/dbraw/zinc/66/67/45/950666745.db2.gz DNMJWGMVVIGIQH-VXGBXAGGSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575924044 950666758 /nfs/dbraw/zinc/66/67/58/950666758.db2.gz DNMJWGMVVIGIQH-VXGBXAGGSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760512 950667212 /nfs/dbraw/zinc/66/72/12/950667212.db2.gz WHETVJVTJJUCRX-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760512 950667226 /nfs/dbraw/zinc/66/72/26/950667226.db2.gz WHETVJVTJJUCRX-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576214493 950669376 /nfs/dbraw/zinc/66/93/76/950669376.db2.gz AWMSWGRFCQUXRZ-HZMBPMFUSA-N -1 1 382.432 0.038 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)c2C1 ZINC001576214445 950670099 /nfs/dbraw/zinc/67/00/99/950670099.db2.gz ANRUYZWUIKWZMJ-SNVBAGLBSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)c2C1 ZINC001576214445 950670107 /nfs/dbraw/zinc/67/01/07/950670107.db2.gz ANRUYZWUIKWZMJ-SNVBAGLBSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575924268 950670679 /nfs/dbraw/zinc/67/06/79/950670679.db2.gz RYQZQESHGJPOKA-KOLCDFICSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924395 950671340 /nfs/dbraw/zinc/67/13/40/950671340.db2.gz FIFQCSLSEAYCMQ-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924395 950671354 /nfs/dbraw/zinc/67/13/54/950671354.db2.gz FIFQCSLSEAYCMQ-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001576214517 950675616 /nfs/dbraw/zinc/67/56/16/950675616.db2.gz BIHCRPAAXXZESG-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001576214517 950675635 /nfs/dbraw/zinc/67/56/35/950675635.db2.gz BIHCRPAAXXZESG-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001575925147 950680022 /nfs/dbraw/zinc/68/00/22/950680022.db2.gz SVIBZCVHDGMLEB-OCCSQVGLSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncn1C ZINC001575925097 950681436 /nfs/dbraw/zinc/68/14/36/950681436.db2.gz GIFCVGHCPLWNBT-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760848 950684999 /nfs/dbraw/zinc/68/49/99/950684999.db2.gz MYQLSZLJHVLYDG-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760848 950685010 /nfs/dbraw/zinc/68/50/10/950685010.db2.gz MYQLSZLJHVLYDG-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574760840 950685098 /nfs/dbraw/zinc/68/50/98/950685098.db2.gz MRWUOCITHOPBQL-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574760840 950685105 /nfs/dbraw/zinc/68/51/05/950685105.db2.gz MRWUOCITHOPBQL-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574519552 950686598 /nfs/dbraw/zinc/68/65/98/950686598.db2.gz FWYQGTAVITYZFZ-SNVBAGLBSA-N -1 1 386.420 0.292 20 0 GCADMM C[C@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574519552 950686612 /nfs/dbraw/zinc/68/66/12/950686612.db2.gz FWYQGTAVITYZFZ-SNVBAGLBSA-N -1 1 386.420 0.292 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575925668 950689336 /nfs/dbraw/zinc/68/93/36/950689336.db2.gz HWKMQZLGZRQPSS-RYUDHWBXSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575925668 950689361 /nfs/dbraw/zinc/68/93/61/950689361.db2.gz HWKMQZLGZRQPSS-RYUDHWBXSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cccn1 ZINC001575925553 950690092 /nfs/dbraw/zinc/69/00/92/950690092.db2.gz HHJFDLNVTZIHCX-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cccn1 ZINC001575925553 950690110 /nfs/dbraw/zinc/69/01/10/950690110.db2.gz HHJFDLNVTZIHCX-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001575625642 950691229 /nfs/dbraw/zinc/69/12/29/950691229.db2.gz SXLZECMKZFRNNH-VXGBXAGGSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575625642 950691242 /nfs/dbraw/zinc/69/12/42/950691242.db2.gz SXLZECMKZFRNNH-VXGBXAGGSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575925846 950691564 /nfs/dbraw/zinc/69/15/64/950691564.db2.gz VJZFOHAPCXNXAI-SFYZADRCSA-N -1 1 391.848 0.904 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576215236 950691521 /nfs/dbraw/zinc/69/15/21/950691521.db2.gz DVNOLTIMMOWQBP-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576215236 950691535 /nfs/dbraw/zinc/69/15/35/950691535.db2.gz DVNOLTIMMOWQBP-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](O)CNc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575625612 950692796 /nfs/dbraw/zinc/69/27/96/950692796.db2.gz SMUPQRURCKPCGS-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](O)CNc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575625612 950692811 /nfs/dbraw/zinc/69/28/11/950692811.db2.gz SMUPQRURCKPCGS-LASWEOPPSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001575925780 950693610 /nfs/dbraw/zinc/69/36/10/950693610.db2.gz UUVHPWCQUCIXSZ-RYUDHWBXSA-N -1 1 382.432 0.571 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575625811 950694584 /nfs/dbraw/zinc/69/45/84/950694584.db2.gz XBBPLYKADMCFLH-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575625811 950694603 /nfs/dbraw/zinc/69/46/03/950694603.db2.gz XBBPLYKADMCFLH-GOSISDBHSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCn2cc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)nc2C1 ZINC001576215319 950694677 /nfs/dbraw/zinc/69/46/77/950694677.db2.gz FIBDMBZVEDTFTR-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCn2cc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)nc2C1 ZINC001576215319 950694690 /nfs/dbraw/zinc/69/46/90/950694690.db2.gz FIBDMBZVEDTFTR-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575625812 950695169 /nfs/dbraw/zinc/69/51/69/950695169.db2.gz XBBPLYKADMCFLH-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575625812 950695182 /nfs/dbraw/zinc/69/51/82/950695182.db2.gz XBBPLYKADMCFLH-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573877788 950695822 /nfs/dbraw/zinc/69/58/22/950695822.db2.gz GJDDUMMDLAUZFQ-JHJVBQTASA-N -1 1 386.460 0.978 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573877788 950695840 /nfs/dbraw/zinc/69/58/40/950695840.db2.gz GJDDUMMDLAUZFQ-JHJVBQTASA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215671 950703598 /nfs/dbraw/zinc/70/35/98/950703598.db2.gz FSEGCLBLPPAXSX-WDEREUQCSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215665 950705784 /nfs/dbraw/zinc/70/57/84/950705784.db2.gz FSEGCLBLPPAXSX-MNOVXSKESA-N -1 1 382.432 0.088 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575926223 950706843 /nfs/dbraw/zinc/70/68/43/950706843.db2.gz WPDWKYQAXPAPPD-OLZOCXBDSA-N -1 1 382.432 0.157 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926434 950708401 /nfs/dbraw/zinc/70/84/01/950708401.db2.gz KBALFHZZYWOZJG-NEPJUHHUSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575926434 950708425 /nfs/dbraw/zinc/70/84/25/950708425.db2.gz KBALFHZZYWOZJG-NEPJUHHUSA-N -1 1 387.448 0.317 20 0 GCADMM CC1(C)CC(C(=O)NC[C@]2(C)CN(c3ccnc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001575628272 950714131 /nfs/dbraw/zinc/71/41/31/950714131.db2.gz BLGVRGBJYMYRGG-GOSISDBHSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)N(C)CCNc3cncc(-c4nnn[n-]4)n3)c2C1 ZINC001576215892 950715512 /nfs/dbraw/zinc/71/55/12/950715512.db2.gz HADDKHOBVUFUJW-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCn2ncc(C(=O)N(C)CCNc3cncc(-c4nn[n-]n4)n3)c2C1 ZINC001576215892 950715531 /nfs/dbraw/zinc/71/55/31/950715531.db2.gz HADDKHOBVUFUJW-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)cn2C1 ZINC001576215883 950715816 /nfs/dbraw/zinc/71/58/16/950715816.db2.gz GXHIBUUEPDNNMM-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)cn2C1 ZINC001576215883 950715831 /nfs/dbraw/zinc/71/58/31/950715831.db2.gz GXHIBUUEPDNNMM-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574763469 950716737 /nfs/dbraw/zinc/71/67/37/950716737.db2.gz BTLNWXVNMCODQP-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574763469 950716750 /nfs/dbraw/zinc/71/67/50/950716750.db2.gz BTLNWXVNMCODQP-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575926660 950720262 /nfs/dbraw/zinc/72/02/62/950720262.db2.gz YAMHLDNXPLEIRZ-WCBMZHEXSA-N -1 1 390.358 0.385 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763612 950723123 /nfs/dbraw/zinc/72/31/23/950723123.db2.gz GOOTWOABYIKHMV-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763612 950723140 /nfs/dbraw/zinc/72/31/40/950723140.db2.gz GOOTWOABYIKHMV-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c[nH]ccc-2n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575006838 950725703 /nfs/dbraw/zinc/72/57/03/950725703.db2.gz WZAIODBPZVVVCN-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c[nH]ccc-2n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575006838 950725708 /nfs/dbraw/zinc/72/57/08/950725708.db2.gz WZAIODBPZVVVCN-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)[nH]n1 ZINC001573879628 950726606 /nfs/dbraw/zinc/72/66/06/950726606.db2.gz HXWKTMMAMAKOIH-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001573879628 950726622 /nfs/dbraw/zinc/72/66/22/950726622.db2.gz HXWKTMMAMAKOIH-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1nccnc1-c1nnn[n-]1 ZINC001575006601 950726611 /nfs/dbraw/zinc/72/66/11/950726611.db2.gz WEVJVBAKTFSTHH-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1nccnc1-c1nn[n-]n1 ZINC001575006601 950726625 /nfs/dbraw/zinc/72/66/25/950726625.db2.gz WEVJVBAKTFSTHH-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926929 950726627 /nfs/dbraw/zinc/72/66/27/950726627.db2.gz ZCQKATMNSIBKOK-ONGXEEELSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926858 950727507 /nfs/dbraw/zinc/72/75/07/950727507.db2.gz YRZDSRNTSQGAHL-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926858 950727518 /nfs/dbraw/zinc/72/75/18/950727518.db2.gz YRZDSRNTSQGAHL-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926926 950727786 /nfs/dbraw/zinc/72/77/86/950727786.db2.gz ZCQKATMNSIBKOK-MWLCHTKSSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001575927031 950729919 /nfs/dbraw/zinc/72/99/19/950729919.db2.gz NEQSQAWDNBLCRA-RYUDHWBXSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001575927031 950729932 /nfs/dbraw/zinc/72/99/32/950729932.db2.gz NEQSQAWDNBLCRA-RYUDHWBXSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763732 950730904 /nfs/dbraw/zinc/73/09/04/950730904.db2.gz JCIULSUCIYIFFT-QMMMGPOBSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763736 950731021 /nfs/dbraw/zinc/73/10/21/950731021.db2.gz JEWNMYVNKCPAPU-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763736 950731031 /nfs/dbraw/zinc/73/10/31/950731031.db2.gz JEWNMYVNKCPAPU-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)cn1 ZINC001575927067 950731143 /nfs/dbraw/zinc/73/11/43/950731143.db2.gz ZXTIGUIWUBMLLB-DGCLKSJQSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cn1 ZINC001575927066 950732703 /nfs/dbraw/zinc/73/27/03/950732703.db2.gz ZXTIGUIWUBMLLB-AAEUAGOBSA-N -1 1 382.432 0.571 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)CCO2)C1 ZINC001575629104 950732918 /nfs/dbraw/zinc/73/29/18/950732918.db2.gz LJJVUNVDRQVIAW-SFHVURJKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001575629104 950732932 /nfs/dbraw/zinc/73/29/32/950732932.db2.gz LJJVUNVDRQVIAW-SFHVURJKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(C(=O)NC2(CO)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001575629318 950734167 /nfs/dbraw/zinc/73/41/67/950734167.db2.gz LYMOVYBPCYTCID-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)NC2(CO)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575629318 950734186 /nfs/dbraw/zinc/73/41/86/950734186.db2.gz LYMOVYBPCYTCID-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001573879910 950735580 /nfs/dbraw/zinc/73/55/80/950735580.db2.gz OKFHWUWZRSEUFU-MGCOHNPYSA-N -1 1 383.416 0.737 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763824 950736209 /nfs/dbraw/zinc/73/62/09/950736209.db2.gz LRDBUCOQWYYMIS-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763824 950736223 /nfs/dbraw/zinc/73/62/23/950736223.db2.gz LRDBUCOQWYYMIS-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM CC1(C)CC(C(=O)NC2(CNc3ccnc(-c4nn[n-]n4)n3)CCOCC2)C1 ZINC001575629331 950737182 /nfs/dbraw/zinc/73/71/82/950737182.db2.gz MLBWASVETDFJKC-UHFFFAOYSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763938 950737452 /nfs/dbraw/zinc/73/74/52/950737452.db2.gz NFRBXCNJFLAEOZ-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2nccn2c1 ZINC001575927309 950741411 /nfs/dbraw/zinc/74/14/11/950741411.db2.gz OXXUAKYVFZDPPG-ZYHUDNBSSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2nccn2c1 ZINC001575927309 950741425 /nfs/dbraw/zinc/74/14/25/950741425.db2.gz OXXUAKYVFZDPPG-ZYHUDNBSSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764004 950742128 /nfs/dbraw/zinc/74/21/28/950742128.db2.gz OVEYCIWTKCMOOA-LLVKDONJSA-N -1 1 384.448 0.603 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)c2C1 ZINC001576216849 950744137 /nfs/dbraw/zinc/74/41/37/950744137.db2.gz JPNNPGXVJUVNPM-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)c2C1 ZINC001576216849 950744160 /nfs/dbraw/zinc/74/41/60/950744160.db2.gz JPNNPGXVJUVNPM-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576216948 950747698 /nfs/dbraw/zinc/74/76/98/950747698.db2.gz KKRPILHXDBVGND-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576216933 950746493 /nfs/dbraw/zinc/74/64/93/950746493.db2.gz KEZOMBNOCWGJID-UWVGGRQHSA-N -1 1 382.432 0.157 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576216948 950747685 /nfs/dbraw/zinc/74/76/85/950747685.db2.gz KKRPILHXDBVGND-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927570 950748810 /nfs/dbraw/zinc/74/88/10/950748810.db2.gz PZKYEZPJCGMIAT-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927570 950748822 /nfs/dbraw/zinc/74/88/22/950748822.db2.gz PZKYEZPJCGMIAT-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576217031 950749011 /nfs/dbraw/zinc/74/90/11/950749011.db2.gz GEVTYMWKTXCBHN-ZDUSSCGKSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576217031 950749027 /nfs/dbraw/zinc/74/90/27/950749027.db2.gz GEVTYMWKTXCBHN-ZDUSSCGKSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574181698 950749870 /nfs/dbraw/zinc/74/98/70/950749870.db2.gz OFEHXNJKKBVHPZ-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574181698 950749887 /nfs/dbraw/zinc/74/98/87/950749887.db2.gz OFEHXNJKKBVHPZ-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)O1 ZINC001576217037 950749969 /nfs/dbraw/zinc/74/99/69/950749969.db2.gz GHHFOYHGMDICFP-DIFFPNOSSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)O1 ZINC001576217037 950749986 /nfs/dbraw/zinc/74/99/86/950749986.db2.gz GHHFOYHGMDICFP-DIFFPNOSSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576217322 950753885 /nfs/dbraw/zinc/75/38/85/950753885.db2.gz MJBKWXNTTREMQI-WDEREUQCSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576217320 950755372 /nfs/dbraw/zinc/75/53/72/950755372.db2.gz MJBKWXNTTREMQI-MNOVXSKESA-N -1 1 382.432 0.088 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576217319 950755710 /nfs/dbraw/zinc/75/57/10/950755710.db2.gz MJBKWXNTTREMQI-GHMZBOCLSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1nccn1C ZINC001575927866 950759126 /nfs/dbraw/zinc/75/91/26/950759126.db2.gz VKGFCTVGTZBDTA-NWDGAFQWSA-N -1 1 382.432 0.424 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574182662 950761255 /nfs/dbraw/zinc/76/12/55/950761255.db2.gz YBUMYKIBAAXOHK-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574182662 950761261 /nfs/dbraw/zinc/76/12/61/950761261.db2.gz YBUMYKIBAAXOHK-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764783 950762276 /nfs/dbraw/zinc/76/22/76/950762276.db2.gz YEWQFZULWZRSRS-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764783 950762293 /nfs/dbraw/zinc/76/22/93/950762293.db2.gz YEWQFZULWZRSRS-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2ncccn2n1 ZINC001575927940 950765133 /nfs/dbraw/zinc/76/51/33/950765133.db2.gz WJTSHFWUCHENGP-WDEREUQCSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2ncccn2n1 ZINC001575927940 950765151 /nfs/dbraw/zinc/76/51/51/950765151.db2.gz WJTSHFWUCHENGP-WDEREUQCSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574764823 950765776 /nfs/dbraw/zinc/76/57/76/950765776.db2.gz ZBKSWSPRCRKVGI-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574764823 950765793 /nfs/dbraw/zinc/76/57/93/950765793.db2.gz ZBKSWSPRCRKVGI-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884099 950780615 /nfs/dbraw/zinc/78/06/15/950780615.db2.gz ICLSQIUSKYBQCT-AOOOYVTPSA-N -1 1 382.432 0.472 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575929480 950781415 /nfs/dbraw/zinc/78/14/15/950781415.db2.gz CDALXUKTIAPBEK-KOLCDFICSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575929480 950781428 /nfs/dbraw/zinc/78/14/28/950781428.db2.gz CDALXUKTIAPBEK-KOLCDFICSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765695 950795112 /nfs/dbraw/zinc/79/51/12/950795112.db2.gz JPIFUZOXXCQVGL-VIFPVBQESA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3cnc(-c4nnn[n-]4)cn3)c2C1 ZINC001576219072 950799206 /nfs/dbraw/zinc/79/92/06/950799206.db2.gz SFJIPBGWEVQDEC-JTQLQIEISA-N -1 1 382.432 0.689 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3cnc(-c4nn[n-]n4)cn3)c2C1 ZINC001576219072 950799217 /nfs/dbraw/zinc/79/92/17/950799217.db2.gz SFJIPBGWEVQDEC-JTQLQIEISA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573884688 950799849 /nfs/dbraw/zinc/79/98/49/950799849.db2.gz IQERHVNDUWCCSW-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573884688 950799866 /nfs/dbraw/zinc/79/98/66/950799866.db2.gz IQERHVNDUWCCSW-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574185492 950802928 /nfs/dbraw/zinc/80/29/28/950802928.db2.gz ZDYURGCXJZVOLE-ZDUSSCGKSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574185492 950802945 /nfs/dbraw/zinc/80/29/45/950802945.db2.gz ZDYURGCXJZVOLE-ZDUSSCGKSA-N -1 1 376.465 0.739 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576219783 950812463 /nfs/dbraw/zinc/81/24/63/950812463.db2.gz UQBFEFONJRQVRW-BONVTDFDSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575932265 950821877 /nfs/dbraw/zinc/82/18/77/950821877.db2.gz LEMFPPLYTRPSHR-MNOVXSKESA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575932265 950821906 /nfs/dbraw/zinc/82/19/06/950821906.db2.gz LEMFPPLYTRPSHR-MNOVXSKESA-N -1 1 380.416 0.515 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)co1 ZINC001573885171 950822354 /nfs/dbraw/zinc/82/23/54/950822354.db2.gz VGPDQOPVJIECRP-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)co1 ZINC001573885171 950822376 /nfs/dbraw/zinc/82/23/76/950822376.db2.gz VGPDQOPVJIECRP-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC1(C)CC(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)C1 ZINC001575633769 950822629 /nfs/dbraw/zinc/82/26/29/950822629.db2.gz WUTCOLCIVIUJMD-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)C1 ZINC001575633769 950822650 /nfs/dbraw/zinc/82/26/50/950822650.db2.gz WUTCOLCIVIUJMD-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766780 950826763 /nfs/dbraw/zinc/82/67/63/950826763.db2.gz KURSCVCGIHCOBL-SNVBAGLBSA-N -1 1 383.416 0.518 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576220218 950827026 /nfs/dbraw/zinc/82/70/26/950827026.db2.gz WIUHLRLDNBBEHT-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576220218 950827047 /nfs/dbraw/zinc/82/70/47/950827047.db2.gz WIUHLRLDNBBEHT-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575932284 950828082 /nfs/dbraw/zinc/82/80/82/950828082.db2.gz LNVPAODOIIGZJU-PSASIEDQSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575932284 950828107 /nfs/dbraw/zinc/82/81/07/950828107.db2.gz LNVPAODOIIGZJU-PSASIEDQSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220239 950828021 /nfs/dbraw/zinc/82/80/21/950828021.db2.gz WOBHFADDURGKRM-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220239 950828041 /nfs/dbraw/zinc/82/80/41/950828041.db2.gz WOBHFADDURGKRM-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)c2C1 ZINC001576220365 950831999 /nfs/dbraw/zinc/83/19/99/950831999.db2.gz XIKUBZGICONNKE-JTQLQIEISA-N -1 1 382.432 0.371 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)c2C1 ZINC001576220365 950832019 /nfs/dbraw/zinc/83/20/19/950832019.db2.gz XIKUBZGICONNKE-JTQLQIEISA-N -1 1 382.432 0.371 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1nccn1C ZINC001575932851 950833264 /nfs/dbraw/zinc/83/32/64/950833264.db2.gz NHSVAIRKPVNOAQ-RYUDHWBXSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccn1C ZINC001575932851 950833284 /nfs/dbraw/zinc/83/32/84/950833284.db2.gz NHSVAIRKPVNOAQ-RYUDHWBXSA-N -1 1 382.432 0.424 20 0 GCADMM CC(C)(C)c1cnc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001573885557 950833880 /nfs/dbraw/zinc/83/38/80/950833880.db2.gz ZETCWMCQUJJHRX-UHFFFAOYSA-N -1 1 376.402 0.522 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)co1 ZINC001573885555 950835334 /nfs/dbraw/zinc/83/53/34/950835334.db2.gz UBGDOUVPEGJHAJ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)co1 ZINC001573885555 950835365 /nfs/dbraw/zinc/83/53/65/950835365.db2.gz UBGDOUVPEGJHAJ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573885920 950836004 /nfs/dbraw/zinc/83/60/04/950836004.db2.gz XNYJSBLCUDZYAA-SNVBAGLBSA-N -1 1 385.432 0.709 20 0 GCADMM CC(C)(C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573885920 950836033 /nfs/dbraw/zinc/83/60/33/950836033.db2.gz XNYJSBLCUDZYAA-SNVBAGLBSA-N -1 1 385.432 0.709 20 0 GCADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1nc[nH]n1 ZINC001575933274 950840761 /nfs/dbraw/zinc/84/07/61/950840761.db2.gz NTQJJBKUSIQJGD-NTSWFWBYSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576220895 950840925 /nfs/dbraw/zinc/84/09/25/950840925.db2.gz XPUJURGGGDBQIK-GXFFZTMASA-N -1 1 382.432 0.616 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576220895 950840948 /nfs/dbraw/zinc/84/09/48/950840948.db2.gz XPUJURGGGDBQIK-GXFFZTMASA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576220897 950842609 /nfs/dbraw/zinc/84/26/09/950842609.db2.gz XPUJURGGGDBQIK-MFKMUULPSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576220897 950842633 /nfs/dbraw/zinc/84/26/33/950842633.db2.gz XPUJURGGGDBQIK-MFKMUULPSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221299 950853241 /nfs/dbraw/zinc/85/32/41/950853241.db2.gz ZGGCNLYBTAFNGY-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221299 950853264 /nfs/dbraw/zinc/85/32/64/950853264.db2.gz ZGGCNLYBTAFNGY-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576221704 950859705 /nfs/dbraw/zinc/85/97/05/950859705.db2.gz WBGWPVGEFWJKQS-ZDUSSCGKSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576222135 950865722 /nfs/dbraw/zinc/86/57/22/950865722.db2.gz XIELPHDWARVQCQ-NXEZZACHSA-N -1 1 378.387 0.773 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767775 950869396 /nfs/dbraw/zinc/86/93/96/950869396.db2.gz QJZHBUMJGGHUHD-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767775 950869420 /nfs/dbraw/zinc/86/94/20/950869420.db2.gz QJZHBUMJGGHUHD-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767889 950869665 /nfs/dbraw/zinc/86/96/65/950869665.db2.gz VAHQJAYIYMTEFJ-SNVBAGLBSA-N -1 1 378.400 0.528 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575935423 950877684 /nfs/dbraw/zinc/87/76/84/950877684.db2.gz WEMLPVBRXXXCLH-PWSUYJOCSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575935423 950877700 /nfs/dbraw/zinc/87/77/00/950877700.db2.gz WEMLPVBRXXXCLH-PWSUYJOCSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574768322 950886325 /nfs/dbraw/zinc/88/63/25/950886325.db2.gz UHQLVRNKXSIXBZ-YFKPBYRVSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574768322 950886336 /nfs/dbraw/zinc/88/63/36/950886336.db2.gz UHQLVRNKXSIXBZ-YFKPBYRVSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1ccnc1 ZINC001575935673 950889389 /nfs/dbraw/zinc/88/93/89/950889389.db2.gz AAXGHJMCLMSYFI-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1ccnc1 ZINC001575935673 950889404 /nfs/dbraw/zinc/88/94/04/950889404.db2.gz AAXGHJMCLMSYFI-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1ccnc1 ZINC001575935676 950889764 /nfs/dbraw/zinc/88/97/64/950889764.db2.gz AAXGHJMCLMSYFI-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1ccnc1 ZINC001575935676 950889780 /nfs/dbraw/zinc/88/97/80/950889780.db2.gz AAXGHJMCLMSYFI-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576226862 950892135 /nfs/dbraw/zinc/89/21/35/950892135.db2.gz CLHUGDHWOZNVAI-KPZWWZAWSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)CCCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574189591 950893891 /nfs/dbraw/zinc/89/38/91/950893891.db2.gz OGHXKZCZASMZCK-UHFFFAOYSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574189591 950893904 /nfs/dbraw/zinc/89/39/04/950893904.db2.gz OGHXKZCZASMZCK-UHFFFAOYSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768692 950899406 /nfs/dbraw/zinc/89/94/06/950899406.db2.gz VIEOCKTTWYNQKU-VIFPVBQESA-N -1 1 388.461 0.626 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575935946 950901775 /nfs/dbraw/zinc/90/17/75/950901775.db2.gz CGVZDUDCDIEHDM-DTWKUNHWSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575935946 950901792 /nfs/dbraw/zinc/90/17/92/950901792.db2.gz CGVZDUDCDIEHDM-DTWKUNHWSA-N -1 1 383.372 0.064 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCOC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640720 950901863 /nfs/dbraw/zinc/90/18/63/950901863.db2.gz KBTYRAJRPYNNKX-CHWSQXEVSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCOC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640720 950901876 /nfs/dbraw/zinc/90/18/76/950901876.db2.gz KBTYRAJRPYNNKX-CHWSQXEVSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893799 950905298 /nfs/dbraw/zinc/90/52/98/950905298.db2.gz WVAGZYFQCBLZRQ-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893799 950905322 /nfs/dbraw/zinc/90/53/22/950905322.db2.gz WVAGZYFQCBLZRQ-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574190365 950913032 /nfs/dbraw/zinc/91/30/32/950913032.db2.gz XIOSWMMCMRLHLS-GOSISDBHSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574190365 950913043 /nfs/dbraw/zinc/91/30/43/950913043.db2.gz XIOSWMMCMRLHLS-GOSISDBHSA-N -1 1 388.476 0.931 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227546 950914162 /nfs/dbraw/zinc/91/41/62/950914162.db2.gz DSVSEJHXZOLCFK-NEPJUHHUSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227546 950914173 /nfs/dbraw/zinc/91/41/73/950914173.db2.gz DSVSEJHXZOLCFK-NEPJUHHUSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]n1 ZINC001575936519 950916056 /nfs/dbraw/zinc/91/60/56/950916056.db2.gz GBZDGHHTDMQEDR-RITPCOANSA-N -1 1 380.825 0.810 20 0 GCADMM CC(C)CCCC(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574190760 950916715 /nfs/dbraw/zinc/91/67/15/950916715.db2.gz ACIVPVPUVXZTJT-UHFFFAOYSA-N -1 1 387.492 0.721 20 0 GCADMM CC(C)CCCC(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574190760 950916729 /nfs/dbraw/zinc/91/67/29/950916729.db2.gz ACIVPVPUVXZTJT-UHFFFAOYSA-N -1 1 387.492 0.721 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573894056 950919150 /nfs/dbraw/zinc/91/91/50/950919150.db2.gz KLAZIDURJXNXEJ-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573894056 950919175 /nfs/dbraw/zinc/91/91/75/950919175.db2.gz KLAZIDURJXNXEJ-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573894129 950922470 /nfs/dbraw/zinc/92/24/70/950922470.db2.gz NAUCUSKFQCFGMD-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573894129 950922486 /nfs/dbraw/zinc/92/24/86/950922486.db2.gz NAUCUSKFQCFGMD-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCCC1=O ZINC001575936801 950926441 /nfs/dbraw/zinc/92/64/41/950926441.db2.gz IMCRIEDHFUGQNZ-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCCC1=O ZINC001575936801 950926452 /nfs/dbraw/zinc/92/64/52/950926452.db2.gz IMCRIEDHFUGQNZ-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001573894440 950927225 /nfs/dbraw/zinc/92/72/25/950927225.db2.gz RRNYATJZYWUEKX-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001573894440 950927241 /nfs/dbraw/zinc/92/72/41/950927241.db2.gz RRNYATJZYWUEKX-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575937283 950941201 /nfs/dbraw/zinc/94/12/01/950941201.db2.gz JUPIBFBWPVAKHA-WDEREUQCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575937283 950941217 /nfs/dbraw/zinc/94/12/17/950941217.db2.gz JUPIBFBWPVAKHA-WDEREUQCSA-N -1 1 380.416 0.515 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)CC(F)F ZINC001573896152 950945262 /nfs/dbraw/zinc/94/52/62/950945262.db2.gz GKGIKUCNKJOHLO-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)CC(F)F ZINC001573896152 950945282 /nfs/dbraw/zinc/94/52/82/950945282.db2.gz GKGIKUCNKJOHLO-VIFPVBQESA-N -1 1 384.391 0.617 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001575642910 950951742 /nfs/dbraw/zinc/95/17/42/950951742.db2.gz JKGZJVWEMYESGH-KZULUSFZSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643103 950960221 /nfs/dbraw/zinc/96/02/21/950960221.db2.gz XXWIYLYICQUVCD-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897392 950960419 /nfs/dbraw/zinc/96/04/19/950960419.db2.gz PAIZWFFUCSJGOG-ZDUSSCGKSA-N -1 1 386.460 0.544 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C1CC1 ZINC001573897438 950960546 /nfs/dbraw/zinc/96/05/46/950960546.db2.gz PCLBURYAJCUAOW-STQMWFEESA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573897761 950965407 /nfs/dbraw/zinc/96/54/07/950965407.db2.gz RIUQFNHQCDBMRK-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897761 950965417 /nfs/dbraw/zinc/96/54/17/950965417.db2.gz RIUQFNHQCDBMRK-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576229209 950965585 /nfs/dbraw/zinc/96/55/85/950965585.db2.gz JTVYKBHHUDZUCL-CMPLNLGQSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576229209 950965598 /nfs/dbraw/zinc/96/55/98/950965598.db2.gz JTVYKBHHUDZUCL-CMPLNLGQSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576229212 950965637 /nfs/dbraw/zinc/96/56/37/950965637.db2.gz JTVYKBHHUDZUCL-JQWIXIFHSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576229212 950965654 /nfs/dbraw/zinc/96/56/54/950965654.db2.gz JTVYKBHHUDZUCL-JQWIXIFHSA-N -1 1 376.396 0.434 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C1CC1 ZINC001573898334 950975500 /nfs/dbraw/zinc/97/55/00/950975500.db2.gz ZNUCPKORUMHALT-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)C1CC1 ZINC001573898334 950975518 /nfs/dbraw/zinc/97/55/18/950975518.db2.gz ZNUCPKORUMHALT-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001575643883 950978903 /nfs/dbraw/zinc/97/89/03/950978903.db2.gz PXBWODPMIWCOGN-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001575643883 950978918 /nfs/dbraw/zinc/97/89/18/950978918.db2.gz PXBWODPMIWCOGN-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccn1 ZINC001575938438 950980220 /nfs/dbraw/zinc/98/02/20/950980220.db2.gz NMANUXWNEZMRCR-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccn1 ZINC001575938438 950980243 /nfs/dbraw/zinc/98/02/43/950980243.db2.gz NMANUXWNEZMRCR-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001575643881 950980764 /nfs/dbraw/zinc/98/07/64/950980764.db2.gz PXBWODPMIWCOGN-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001575643881 950980783 /nfs/dbraw/zinc/98/07/83/950980783.db2.gz PXBWODPMIWCOGN-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001575938480 950981378 /nfs/dbraw/zinc/98/13/78/950981378.db2.gz NYXARVCCPORSNN-ONGXEEELSA-N -1 1 391.399 0.643 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001575938480 950981386 /nfs/dbraw/zinc/98/13/86/950981386.db2.gz NYXARVCCPORSNN-ONGXEEELSA-N -1 1 391.399 0.643 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573899569 950985597 /nfs/dbraw/zinc/98/55/97/950985597.db2.gz FPRLBUVJGCJKLX-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573899569 950985608 /nfs/dbraw/zinc/98/56/08/950985608.db2.gz FPRLBUVJGCJKLX-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573899844 950987004 /nfs/dbraw/zinc/98/70/04/950987004.db2.gz LNQJLEJRDWRVGW-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573899844 950987015 /nfs/dbraw/zinc/98/70/15/950987015.db2.gz LNQJLEJRDWRVGW-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001575939100 951002871 /nfs/dbraw/zinc/00/28/71/951002871.db2.gz PAEILLRMZMTILC-CHWSQXEVSA-N -1 1 388.476 0.790 20 0 GCADMM CCOC(=O)N1CCN(C(=O)[C@@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001590884370 951018415 /nfs/dbraw/zinc/01/84/15/951018415.db2.gz YKUDHJZQMOAIGT-ZBFHGGJFSA-N -1 1 377.441 0.961 20 0 GCADMM CCOC(=O)N1CCN(C(=O)[C@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001590884369 951019399 /nfs/dbraw/zinc/01/93/99/951019399.db2.gz YKUDHJZQMOAIGT-HOCLYGCPSA-N -1 1 377.441 0.961 20 0 GCADMM CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC001591087278 951045567 /nfs/dbraw/zinc/04/55/67/951045567.db2.gz CXCFACQJASIDQU-NSHDSACASA-N -1 1 385.442 0.969 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001575020137 951051453 /nfs/dbraw/zinc/05/14/53/951051453.db2.gz YXYUFUAUCUYZRV-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001575020137 951051462 /nfs/dbraw/zinc/05/14/62/951051462.db2.gz YXYUFUAUCUYZRV-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575023228 951076196 /nfs/dbraw/zinc/07/61/96/951076196.db2.gz KSVUFMQRPCAOTK-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024340 951099604 /nfs/dbraw/zinc/09/96/04/951099604.db2.gz BENFSQZUBUBDHZ-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024340 951099612 /nfs/dbraw/zinc/09/96/12/951099612.db2.gz BENFSQZUBUBDHZ-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024383 951100872 /nfs/dbraw/zinc/10/08/72/951100872.db2.gz CNTKIPSWGFWIJO-LLVKDONJSA-N -1 1 379.428 0.301 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024495 951104167 /nfs/dbraw/zinc/10/41/67/951104167.db2.gz FQTNYXURNDHRPK-LLVKDONJSA-N -1 1 379.428 0.879 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024495 951104175 /nfs/dbraw/zinc/10/41/75/951104175.db2.gz FQTNYXURNDHRPK-LLVKDONJSA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575024790 951114983 /nfs/dbraw/zinc/11/49/83/951114983.db2.gz MSKAOLKABCESLF-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575024790 951114987 /nfs/dbraw/zinc/11/49/87/951114987.db2.gz MSKAOLKABCESLF-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575024999 951123360 /nfs/dbraw/zinc/12/33/60/951123360.db2.gz RHOXVHJFBMEABO-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575024999 951123364 /nfs/dbraw/zinc/12/33/64/951123364.db2.gz RHOXVHJFBMEABO-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575025494 951129879 /nfs/dbraw/zinc/12/98/79/951129879.db2.gz ZPUPFZZIJNPYCD-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025441 951130755 /nfs/dbraw/zinc/13/07/55/951130755.db2.gz ZJFMJYMCVRMAGG-LLVKDONJSA-N -1 1 380.412 0.492 20 0 GCADMM C[C@H](CNC(=O)c1cccc(-n2cccn2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575026967 951149831 /nfs/dbraw/zinc/14/98/31/951149831.db2.gz OPWGMRHZSRNAHS-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@H](CNC(=O)c1cccc(-n2cccn2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575026967 951149837 /nfs/dbraw/zinc/14/98/37/951149837.db2.gz OPWGMRHZSRNAHS-LLVKDONJSA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2cccnc2c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028107 951167077 /nfs/dbraw/zinc/16/70/77/951167077.db2.gz VEBXCTXHXDZQFQ-NSHDSACASA-N -1 1 375.396 0.857 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028179 951169500 /nfs/dbraw/zinc/16/95/00/951169500.db2.gz LXQSZIYLJKPIIR-GHMZBOCLSA-N -1 1 380.412 0.632 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2ncn(C)c21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028142 951169587 /nfs/dbraw/zinc/16/95/87/951169587.db2.gz LFVGSWSXKIYMDD-JTQLQIEISA-N -1 1 378.400 0.196 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575030026 951192181 /nfs/dbraw/zinc/19/21/81/951192181.db2.gz ZFKIPKLKCVPWDC-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575030026 951192187 /nfs/dbraw/zinc/19/21/87/951192187.db2.gz ZFKIPKLKCVPWDC-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575031741 951201118 /nfs/dbraw/zinc/20/11/18/951201118.db2.gz HXXWXQTYTZTGRV-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575031741 951201123 /nfs/dbraw/zinc/20/11/23/951201123.db2.gz HXXWXQTYTZTGRV-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575031767 951204944 /nfs/dbraw/zinc/20/49/44/951204944.db2.gz ILDDZKDHVGQVEZ-NSHDSACASA-N -1 1 383.416 0.491 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575034159 951237908 /nfs/dbraw/zinc/23/79/08/951237908.db2.gz IOCRXYLWIHQPKZ-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575034159 951237914 /nfs/dbraw/zinc/23/79/14/951237914.db2.gz IOCRXYLWIHQPKZ-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575035520 951277742 /nfs/dbraw/zinc/27/77/42/951277742.db2.gz JVKKLXZRVBBDPP-JTQLQIEISA-N -1 1 380.416 0.224 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575035791 951282628 /nfs/dbraw/zinc/28/26/28/951282628.db2.gz LRHDHTLCJSCLAA-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575035791 951282638 /nfs/dbraw/zinc/28/26/38/951282638.db2.gz LRHDHTLCJSCLAA-QMMMGPOBSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575035970 951284621 /nfs/dbraw/zinc/28/46/21/951284621.db2.gz NOLLSLDXJNLSIX-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575035970 951284631 /nfs/dbraw/zinc/28/46/31/951284631.db2.gz NOLLSLDXJNLSIX-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575036272 951291291 /nfs/dbraw/zinc/29/12/91/951291291.db2.gz QJZWDWDASDSZIR-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575036272 951291299 /nfs/dbraw/zinc/29/12/99/951291299.db2.gz QJZWDWDASDSZIR-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575036492 951293836 /nfs/dbraw/zinc/29/38/36/951293836.db2.gz SYMVLKBYSOWGQX-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575036492 951293847 /nfs/dbraw/zinc/29/38/47/951293847.db2.gz SYMVLKBYSOWGQX-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575036516 951296369 /nfs/dbraw/zinc/29/63/69/951296369.db2.gz UBBQJBRSWXTPIM-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575036516 951296382 /nfs/dbraw/zinc/29/63/82/951296382.db2.gz UBBQJBRSWXTPIM-LLVKDONJSA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575036919 951303658 /nfs/dbraw/zinc/30/36/58/951303658.db2.gz YRIOBIGNYFNEPC-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575036919 951303669 /nfs/dbraw/zinc/30/36/69/951303669.db2.gz YRIOBIGNYFNEPC-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575036966 951303928 /nfs/dbraw/zinc/30/39/28/951303928.db2.gz ZFDYUTRBVOSOTK-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575036966 951303937 /nfs/dbraw/zinc/30/39/37/951303937.db2.gz ZFDYUTRBVOSOTK-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575037024 951305121 /nfs/dbraw/zinc/30/51/21/951305121.db2.gz ZTGQIWOEVUKZEW-VIFPVBQESA-N -1 1 392.374 0.018 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)cn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575041734 951350271 /nfs/dbraw/zinc/35/02/71/951350271.db2.gz ASGSNLOOUXANAY-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)cn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575041734 951350282 /nfs/dbraw/zinc/35/02/82/951350282.db2.gz ASGSNLOOUXANAY-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575042309 951357784 /nfs/dbraw/zinc/35/77/84/951357784.db2.gz ICYZUVNTQLNWGD-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575042309 951357798 /nfs/dbraw/zinc/35/77/98/951357798.db2.gz ICYZUVNTQLNWGD-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575042287 951360965 /nfs/dbraw/zinc/36/09/65/951360965.db2.gz HZEOSVFXZQMBFS-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575042287 951360977 /nfs/dbraw/zinc/36/09/77/951360977.db2.gz HZEOSVFXZQMBFS-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575042733 951368797 /nfs/dbraw/zinc/36/87/97/951368797.db2.gz BGSWAMSOHVJGOT-JTQLQIEISA-N -1 1 382.432 0.975 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575042733 951368810 /nfs/dbraw/zinc/36/88/10/951368810.db2.gz BGSWAMSOHVJGOT-JTQLQIEISA-N -1 1 382.432 0.975 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575042704 951371263 /nfs/dbraw/zinc/37/12/63/951371263.db2.gz MKIXFXXBQIUEDP-SNVBAGLBSA-N -1 1 383.420 0.451 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575042704 951371274 /nfs/dbraw/zinc/37/12/74/951371274.db2.gz MKIXFXXBQIUEDP-SNVBAGLBSA-N -1 1 383.420 0.451 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575043029 951380588 /nfs/dbraw/zinc/38/05/88/951380588.db2.gz FQYAHWHINDKMBC-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575043029 951380599 /nfs/dbraw/zinc/38/05/99/951380599.db2.gz FQYAHWHINDKMBC-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575043230 951382193 /nfs/dbraw/zinc/38/21/93/951382193.db2.gz HDKFZVUUYMJAMQ-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)[nH]c1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575043230 951382203 /nfs/dbraw/zinc/38/22/03/951382203.db2.gz HDKFZVUUYMJAMQ-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@H](CNC(=O)c1cnc2c(cnn2C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575043213 951383474 /nfs/dbraw/zinc/38/34/74/951383474.db2.gz GZEJOVCLOMEPQR-SECBINFHSA-N -1 1 379.388 0.169 20 0 GCADMM C[C@H](CNC(=O)c1cnc2c(cnn2C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575043213 951383481 /nfs/dbraw/zinc/38/34/81/951383481.db2.gz GZEJOVCLOMEPQR-SECBINFHSA-N -1 1 379.388 0.169 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001575043192 951384262 /nfs/dbraw/zinc/38/42/62/951384262.db2.gz GQJFYQKPDCNBRX-GXSJLCMTSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001575043192 951384274 /nfs/dbraw/zinc/38/42/74/951384274.db2.gz GQJFYQKPDCNBRX-GXSJLCMTSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575043283 951385472 /nfs/dbraw/zinc/38/54/72/951385472.db2.gz POCSBLNBDAOCJZ-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575043283 951385487 /nfs/dbraw/zinc/38/54/87/951385487.db2.gz POCSBLNBDAOCJZ-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575043459 951394144 /nfs/dbraw/zinc/39/41/44/951394144.db2.gz JNNUSQGEFSLLAQ-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575043459 951394157 /nfs/dbraw/zinc/39/41/57/951394157.db2.gz JNNUSQGEFSLLAQ-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575043515 951395255 /nfs/dbraw/zinc/39/52/55/951395255.db2.gz SNKUFCRKBXRCSO-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575043581 951401186 /nfs/dbraw/zinc/40/11/86/951401186.db2.gz KHSLLGLIUYLPFC-JTQLQIEISA-N -1 1 382.432 0.975 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575043581 951401191 /nfs/dbraw/zinc/40/11/91/951401191.db2.gz KHSLLGLIUYLPFC-JTQLQIEISA-N -1 1 382.432 0.975 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043841 951401912 /nfs/dbraw/zinc/40/19/12/951401912.db2.gz VXLQKODUZPDZIN-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043843 951402945 /nfs/dbraw/zinc/40/29/45/951402945.db2.gz VXLQKODUZPDZIN-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043944 951405124 /nfs/dbraw/zinc/40/51/24/951405124.db2.gz WZYWGROIGYUAFR-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043944 951405136 /nfs/dbraw/zinc/40/51/36/951405136.db2.gz WZYWGROIGYUAFR-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575044350 951412290 /nfs/dbraw/zinc/41/22/90/951412290.db2.gz RJRZGLLXKFJFLF-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575044327 951412994 /nfs/dbraw/zinc/41/29/94/951412994.db2.gz RIORTFFFUBYUFF-NSHDSACASA-N -1 1 382.432 0.089 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575044604 951414904 /nfs/dbraw/zinc/41/49/04/951414904.db2.gz SPBGURAJBISCQO-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575044604 951414909 /nfs/dbraw/zinc/41/49/09/951414909.db2.gz SPBGURAJBISCQO-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnc2[nH]cnc2c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044899 951420939 /nfs/dbraw/zinc/42/09/39/951420939.db2.gz WZDKYHDJRHEFLL-VIFPVBQESA-N -1 1 379.388 0.406 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575045360 951426194 /nfs/dbraw/zinc/42/61/94/951426194.db2.gz AQHQJHWGPJRFRC-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575045360 951426200 /nfs/dbraw/zinc/42/62/00/951426200.db2.gz AQHQJHWGPJRFRC-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575046313 951440361 /nfs/dbraw/zinc/44/03/61/951440361.db2.gz MTVDZYLYJDEVFE-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575046313 951440371 /nfs/dbraw/zinc/44/03/71/951440371.db2.gz MTVDZYLYJDEVFE-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cncn1C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575046389 951440798 /nfs/dbraw/zinc/44/07/98/951440798.db2.gz NQMWMFGPKWKJJE-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575046766 951448573 /nfs/dbraw/zinc/44/85/73/951448573.db2.gz RZLAWSUKFGXHRV-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575046766 951448578 /nfs/dbraw/zinc/44/85/78/951448578.db2.gz RZLAWSUKFGXHRV-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575051961 951457229 /nfs/dbraw/zinc/45/72/29/951457229.db2.gz BZAJNRLFNOSSPW-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575052396 951463037 /nfs/dbraw/zinc/46/30/37/951463037.db2.gz IFDWMTAELRZBOC-NSHDSACASA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575052396 951463042 /nfs/dbraw/zinc/46/30/42/951463042.db2.gz IFDWMTAELRZBOC-NSHDSACASA-N -1 1 382.432 0.741 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575052395 951464325 /nfs/dbraw/zinc/46/43/25/951464325.db2.gz IFDWMTAELRZBOC-LLVKDONJSA-N -1 1 382.432 0.741 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575052395 951464330 /nfs/dbraw/zinc/46/43/30/951464330.db2.gz IFDWMTAELRZBOC-LLVKDONJSA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575052539 951469530 /nfs/dbraw/zinc/46/95/30/951469530.db2.gz LFTZDTVYTBYTKV-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575052539 951469541 /nfs/dbraw/zinc/46/95/41/951469541.db2.gz LFTZDTVYTBYTKV-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575052557 951470138 /nfs/dbraw/zinc/47/01/38/951470138.db2.gz LPZCNYMHIRNGHE-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575052557 951470148 /nfs/dbraw/zinc/47/01/48/951470148.db2.gz LPZCNYMHIRNGHE-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052904 951473268 /nfs/dbraw/zinc/47/32/68/951473268.db2.gz QBGYCUNKLSOSEZ-QMMMGPOBSA-N -1 1 378.347 0.148 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575053366 951479298 /nfs/dbraw/zinc/47/92/98/951479298.db2.gz BNBWUSRGJJCAJY-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575053366 951479305 /nfs/dbraw/zinc/47/93/05/951479305.db2.gz BNBWUSRGJJCAJY-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575054272 951491335 /nfs/dbraw/zinc/49/13/35/951491335.db2.gz HKBHUBOIBWHFQD-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575054272 951491345 /nfs/dbraw/zinc/49/13/45/951491345.db2.gz HKBHUBOIBWHFQD-SNVBAGLBSA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575054594 951493574 /nfs/dbraw/zinc/49/35/74/951493574.db2.gz YVRQZUDUQLGPCW-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575054594 951493585 /nfs/dbraw/zinc/49/35/85/951493585.db2.gz YVRQZUDUQLGPCW-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575054776 951498250 /nfs/dbraw/zinc/49/82/50/951498250.db2.gz KWZWNKVULVECJG-NSHDSACASA-N -1 1 382.432 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575054776 951498257 /nfs/dbraw/zinc/49/82/57/951498257.db2.gz KWZWNKVULVECJG-NSHDSACASA-N -1 1 382.432 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575058016 951533659 /nfs/dbraw/zinc/53/36/59/951533659.db2.gz UBPFNVNDNLEHHY-SNVBAGLBSA-N -1 1 383.416 0.497 20 0 GCADMM C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575059039 951538027 /nfs/dbraw/zinc/53/80/27/951538027.db2.gz YAKKNIPAJLZNJV-SNVBAGLBSA-N -1 1 383.416 0.955 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575059331 951540363 /nfs/dbraw/zinc/54/03/63/951540363.db2.gz ZNMRJYXABPDSCA-SNVBAGLBSA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575059331 951540371 /nfs/dbraw/zinc/54/03/71/951540371.db2.gz ZNMRJYXABPDSCA-SNVBAGLBSA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575059302 951540804 /nfs/dbraw/zinc/54/08/04/951540804.db2.gz YZAINVXEWZOKSQ-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575059302 951540812 /nfs/dbraw/zinc/54/08/12/951540812.db2.gz YZAINVXEWZOKSQ-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575060862 951549364 /nfs/dbraw/zinc/54/93/64/951549364.db2.gz IJEXFMPFXXMXMV-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575061180 951555688 /nfs/dbraw/zinc/55/56/88/951555688.db2.gz KXUIMVCVLZDSBC-JTQLQIEISA-N -1 1 382.432 0.737 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575061180 951555695 /nfs/dbraw/zinc/55/56/95/951555695.db2.gz KXUIMVCVLZDSBC-JTQLQIEISA-N -1 1 382.432 0.737 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575061564 951559120 /nfs/dbraw/zinc/55/91/20/951559120.db2.gz NJWAZCCLQAJCFR-JTQLQIEISA-N -1 1 382.432 0.513 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575061625 951561328 /nfs/dbraw/zinc/56/13/28/951561328.db2.gz OUECLUWDTZTWFU-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575061625 951561336 /nfs/dbraw/zinc/56/13/36/951561336.db2.gz OUECLUWDTZTWFU-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]nc2ccccc21)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575062454 951568983 /nfs/dbraw/zinc/56/89/83/951568983.db2.gz WHBSIKUADSMXMW-JTQLQIEISA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575062787 951572173 /nfs/dbraw/zinc/57/21/73/951572173.db2.gz YHWKRCNUSSYRRO-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575062787 951572178 /nfs/dbraw/zinc/57/21/78/951572178.db2.gz YHWKRCNUSSYRRO-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575064746 951576276 /nfs/dbraw/zinc/57/62/76/951576276.db2.gz CVXLPQFTXUVJIE-NXEZZACHSA-N -1 1 385.388 0.149 20 0 GCADMM C[C@H](CNC(=O)c1nncc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575064764 951578190 /nfs/dbraw/zinc/57/81/90/951578190.db2.gz DBDKCTHNUWDSEH-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1nncc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575064764 951578194 /nfs/dbraw/zinc/57/81/94/951578194.db2.gz DBDKCTHNUWDSEH-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575065279 951580870 /nfs/dbraw/zinc/58/08/70/951580870.db2.gz BDXTZUVZIOWODW-NSHDSACASA-N -1 1 382.432 0.089 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C)n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065284 951581413 /nfs/dbraw/zinc/58/14/13/951581413.db2.gz BEKYCVWXGOGTBI-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C)n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065284 951581428 /nfs/dbraw/zinc/58/14/28/951581428.db2.gz BEKYCVWXGOGTBI-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575065312 951583911 /nfs/dbraw/zinc/58/39/11/951583911.db2.gz GAWZVLKHORBPAS-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575065312 951583921 /nfs/dbraw/zinc/58/39/21/951583921.db2.gz GAWZVLKHORBPAS-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065766 951586407 /nfs/dbraw/zinc/58/64/07/951586407.db2.gz INPZUFIKIAVKAR-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065766 951586417 /nfs/dbraw/zinc/58/64/17/951586417.db2.gz INPZUFIKIAVKAR-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1nccc2cccnc21)Nc1nccnc1-c1nnn[n-]1 ZINC001575066068 951591394 /nfs/dbraw/zinc/59/13/94/951591394.db2.gz DNMWJEGOFJRHEU-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1nccc2cccnc21)Nc1nccnc1-c1nn[n-]n1 ZINC001575066068 951591403 /nfs/dbraw/zinc/59/14/03/951591403.db2.gz DNMWJEGOFJRHEU-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575066347 951594126 /nfs/dbraw/zinc/59/41/26/951594126.db2.gz KMBYRZADMJWKGJ-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575066347 951594132 /nfs/dbraw/zinc/59/41/32/951594132.db2.gz KMBYRZADMJWKGJ-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575066852 951598885 /nfs/dbraw/zinc/59/88/85/951598885.db2.gz MZKDXNGNQAHBAX-VIFPVBQESA-N -1 1 385.457 0.891 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575067255 951606027 /nfs/dbraw/zinc/60/60/27/951606027.db2.gz PONNNCXOAYQTLG-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575067255 951606034 /nfs/dbraw/zinc/60/60/34/951606034.db2.gz PONNNCXOAYQTLG-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575067308 951608504 /nfs/dbraw/zinc/60/85/04/951608504.db2.gz RCBRBNGWJKQZKX-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575067308 951608510 /nfs/dbraw/zinc/60/85/10/951608510.db2.gz RCBRBNGWJKQZKX-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1scnc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575068571 951635816 /nfs/dbraw/zinc/63/58/16/951635816.db2.gz BCJHEZXLKAZOMJ-ZETCQYMHSA-N -1 1 379.837 0.667 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575069088 951640487 /nfs/dbraw/zinc/64/04/87/951640487.db2.gz GAGPTMBCSLJHTR-QMMMGPOBSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575069088 951640494 /nfs/dbraw/zinc/64/04/94/951640494.db2.gz GAGPTMBCSLJHTR-QMMMGPOBSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575070593 951652633 /nfs/dbraw/zinc/65/26/33/951652633.db2.gz SBDGQDNNTUZALY-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575070593 951652641 /nfs/dbraw/zinc/65/26/41/951652641.db2.gz SBDGQDNNTUZALY-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575071353 951658286 /nfs/dbraw/zinc/65/82/86/951658286.db2.gz ZYMZBYWDEHTPOQ-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575071353 951658291 /nfs/dbraw/zinc/65/82/91/951658291.db2.gz ZYMZBYWDEHTPOQ-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM O=C([O-])CN1CCC[C@H](C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)C1=O ZINC001595082956 951704472 /nfs/dbraw/zinc/70/44/72/951704472.db2.gz IGTPWBBDTRSEEI-HOTGVXAUSA-N -1 1 377.416 0.492 20 0 GCADMM O=C([O-])CN1CCC[C@H](C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1=O ZINC001595083785 951711588 /nfs/dbraw/zinc/71/15/88/951711588.db2.gz RKPAVPKSSZGWEA-GFCCVEGCSA-N -1 1 375.360 0.550 20 0 GCADMM O=C([O-])CN1CCC[C@H](C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1=O ZINC001595083785 951711596 /nfs/dbraw/zinc/71/15/96/951711596.db2.gz RKPAVPKSSZGWEA-GFCCVEGCSA-N -1 1 375.360 0.550 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)C1=O ZINC001595090810 951772292 /nfs/dbraw/zinc/77/22/92/951772292.db2.gz KGKLPNYVXOVWKT-DZGCQCFKSA-N -1 1 386.412 0.659 20 0 GCADMM O=C([O-])COCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC001595107261 951884203 /nfs/dbraw/zinc/88/42/03/951884203.db2.gz DRCGBWYVONXGQY-MFKMUULPSA-N -1 1 382.335 0.162 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575131839 952088181 /nfs/dbraw/zinc/08/81/81/952088181.db2.gz BXKNGIURZJWNIJ-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1cccnc1 ZINC001575132159 952091736 /nfs/dbraw/zinc/09/17/36/952091736.db2.gz DDMOUOVSIAUCFD-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1cccnc1 ZINC001575132159 952091743 /nfs/dbraw/zinc/09/17/43/952091743.db2.gz DDMOUOVSIAUCFD-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575132558 952096045 /nfs/dbraw/zinc/09/60/45/952096045.db2.gz GGFAXMMLSPQOKF-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575132558 952096052 /nfs/dbraw/zinc/09/60/52/952096052.db2.gz GGFAXMMLSPQOKF-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575133026 952100482 /nfs/dbraw/zinc/10/04/82/952100482.db2.gz JLNBJFDPTVPXBM-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575133026 952100489 /nfs/dbraw/zinc/10/04/89/952100489.db2.gz JLNBJFDPTVPXBM-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575133351 952104024 /nfs/dbraw/zinc/10/40/24/952104024.db2.gz FFZKGSFDWYDQJV-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575133351 952104033 /nfs/dbraw/zinc/10/40/33/952104033.db2.gz FFZKGSFDWYDQJV-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575133702 952105326 /nfs/dbraw/zinc/10/53/26/952105326.db2.gz GCNSBXKPTLKGBO-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575133702 952105333 /nfs/dbraw/zinc/10/53/33/952105333.db2.gz GCNSBXKPTLKGBO-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1snnc1C1CC1 ZINC001575133675 952105716 /nfs/dbraw/zinc/10/57/16/952105716.db2.gz FVXFFGWUEAXEBE-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1snnc1C1CC1 ZINC001575133675 952105724 /nfs/dbraw/zinc/10/57/24/952105724.db2.gz FVXFFGWUEAXEBE-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575134068 952106771 /nfs/dbraw/zinc/10/67/71/952106771.db2.gz LWALEPIDEWLXQG-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575134068 952106780 /nfs/dbraw/zinc/10/67/80/952106780.db2.gz LWALEPIDEWLXQG-PIGZYNQJSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575134120 952109809 /nfs/dbraw/zinc/10/98/09/952109809.db2.gz MITAWMXKYBSREJ-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575134697 952112854 /nfs/dbraw/zinc/11/28/54/952112854.db2.gz OKELQMMRBNQGNH-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575134697 952112856 /nfs/dbraw/zinc/11/28/56/952112856.db2.gz OKELQMMRBNQGNH-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575135721 952120091 /nfs/dbraw/zinc/12/00/91/952120091.db2.gz NBGNBSMQWDFBRM-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575135721 952120095 /nfs/dbraw/zinc/12/00/95/952120095.db2.gz NBGNBSMQWDFBRM-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575136761 952128132 /nfs/dbraw/zinc/12/81/32/952128132.db2.gz WNIMSIZOZZDKLW-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575136761 952128137 /nfs/dbraw/zinc/12/81/37/952128137.db2.gz WNIMSIZOZZDKLW-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575136848 952128817 /nfs/dbraw/zinc/12/88/17/952128817.db2.gz XUEPDZZZIFPQER-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575136848 952128823 /nfs/dbraw/zinc/12/88/23/952128823.db2.gz XUEPDZZZIFPQER-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575136815 952129707 /nfs/dbraw/zinc/12/97/07/952129707.db2.gz XFXGUSKUCCHIJY-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575136815 952129711 /nfs/dbraw/zinc/12/97/11/952129711.db2.gz XFXGUSKUCCHIJY-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575137057 952134142 /nfs/dbraw/zinc/13/41/42/952134142.db2.gz SPWNYYLHVOCQIF-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575137057 952134147 /nfs/dbraw/zinc/13/41/47/952134147.db2.gz SPWNYYLHVOCQIF-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC001602892957 971805961 /nfs/dbraw/zinc/80/59/61/971805961.db2.gz MCMAVSOZYRRKFI-XIKOKIGWSA-N -1 1 394.428 0.994 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575139787 952141898 /nfs/dbraw/zinc/14/18/98/952141898.db2.gz CAZGCPBCHMPVLB-QWHCGFSZSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575140533 952142133 /nfs/dbraw/zinc/14/21/33/952142133.db2.gz DOHHOUUARRILLP-INIZCTEOSA-N -1 1 385.457 0.475 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575140714 952143550 /nfs/dbraw/zinc/14/35/50/952143550.db2.gz FMKWVGKUOUNXOP-ZIVKBKJYSA-N -1 1 384.444 0.343 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC001602892955 971806301 /nfs/dbraw/zinc/80/63/01/971806301.db2.gz MCMAVSOZYRRKFI-KZULUSFZSA-N -1 1 394.428 0.994 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575142148 952147181 /nfs/dbraw/zinc/14/71/81/952147181.db2.gz JFYLENUVVJQEDF-LBPRGKRZSA-N -1 1 381.444 0.710 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575142732 952148375 /nfs/dbraw/zinc/14/83/75/952148375.db2.gz LESOBEQOOHVWBP-STQMWFEESA-N -1 1 388.476 0.933 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575143136 952149954 /nfs/dbraw/zinc/14/99/54/952149954.db2.gz NWEXQAUNLQJQPR-FZKQIMNGSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1cccnc1 ZINC001575143102 952150145 /nfs/dbraw/zinc/15/01/45/952150145.db2.gz NAVPERKQSAJCJQ-ZDUSSCGKSA-N -1 1 381.444 0.755 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575143362 952151132 /nfs/dbraw/zinc/15/11/32/952151132.db2.gz OYGHTEPBGUIYJR-KRWDZBQOSA-N -1 1 381.400 0.190 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575143474 952153124 /nfs/dbraw/zinc/15/31/24/952153124.db2.gz ASVFPCWUZAVDFA-GFCCVEGCSA-N -1 1 381.444 0.717 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575143387 952153411 /nfs/dbraw/zinc/15/34/11/952153411.db2.gz AAZSEQIEFAICNC-NSHDSACASA-N -1 1 382.432 0.112 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575143594 952154585 /nfs/dbraw/zinc/15/45/85/952154585.db2.gz BKUMLOGCKMFDRZ-LLVKDONJSA-N -1 1 382.432 0.184 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575143725 952156156 /nfs/dbraw/zinc/15/61/56/952156156.db2.gz CGAXESJXUJMYEI-SNVBAGLBSA-N -1 1 385.432 0.937 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575144844 952172685 /nfs/dbraw/zinc/17/26/85/952172685.db2.gz MUUSJEUBQWAFJM-VIFPVBQESA-N -1 1 389.370 0.984 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575144951 952175562 /nfs/dbraw/zinc/17/55/62/952175562.db2.gz ZOOBWPJMIUJFBD-HZMBPMFUSA-N -1 1 382.403 0.816 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575145358 952183408 /nfs/dbraw/zinc/18/34/08/952183408.db2.gz WGPFVPGYUAWUNM-VIFPVBQESA-N -1 1 375.824 0.643 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575145459 952184765 /nfs/dbraw/zinc/18/47/65/952184765.db2.gz XYJYRAAQFAYBDY-LLVKDONJSA-N -1 1 384.448 0.603 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC2(CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)C1 ZINC001602893449 971811013 /nfs/dbraw/zinc/81/10/13/971811013.db2.gz WVWXBJHPDSMPMO-CQSZACIVSA-N -1 1 397.472 0.774 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575146204 952191563 /nfs/dbraw/zinc/19/15/63/952191563.db2.gz HYDYAFUUNGPNSB-HZPDHXFCSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575146204 952191569 /nfs/dbraw/zinc/19/15/69/952191569.db2.gz HYDYAFUUNGPNSB-HZPDHXFCSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575147436 952200265 /nfs/dbraw/zinc/20/02/65/952200265.db2.gz TWZQKTNBCRFLPV-KRWDZBQOSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575147436 952200270 /nfs/dbraw/zinc/20/02/70/952200270.db2.gz TWZQKTNBCRFLPV-KRWDZBQOSA-N -1 1 388.432 0.507 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001575152985 952204939 /nfs/dbraw/zinc/20/49/39/952204939.db2.gz BSUXAUXLRCLZQE-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001575152985 952204942 /nfs/dbraw/zinc/20/49/42/952204942.db2.gz BSUXAUXLRCLZQE-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575152995 952205011 /nfs/dbraw/zinc/20/50/11/952205011.db2.gz BTDIXWXBROZWLW-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575152995 952205021 /nfs/dbraw/zinc/20/50/21/952205021.db2.gz BTDIXWXBROZWLW-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575153972 952215115 /nfs/dbraw/zinc/21/51/15/952215115.db2.gz MYEMTHVBEUUHGJ-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575153972 952215118 /nfs/dbraw/zinc/21/51/18/952215118.db2.gz MYEMTHVBEUUHGJ-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575154125 952216782 /nfs/dbraw/zinc/21/67/82/952216782.db2.gz OGIBODHURUKUDD-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575154125 952216784 /nfs/dbraw/zinc/21/67/84/952216784.db2.gz OGIBODHURUKUDD-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575154437 952224279 /nfs/dbraw/zinc/22/42/79/952224279.db2.gz DFYHHVJXIDDPCO-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575154437 952224287 /nfs/dbraw/zinc/22/42/87/952224287.db2.gz DFYHHVJXIDDPCO-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575154535 952225230 /nfs/dbraw/zinc/22/52/30/952225230.db2.gz RXVMMUGLRZJASJ-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575154505 952225737 /nfs/dbraw/zinc/22/57/37/952225737.db2.gz RSGNKEHQGHZJPP-QWRGUYRKSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575155615 952241797 /nfs/dbraw/zinc/24/17/97/952241797.db2.gz OFZSVSBKIKMBRO-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575155615 952241799 /nfs/dbraw/zinc/24/17/99/952241799.db2.gz OFZSVSBKIKMBRO-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575155573 952241924 /nfs/dbraw/zinc/24/19/24/952241924.db2.gz NQIPLEGOLDIIFN-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575155573 952241927 /nfs/dbraw/zinc/24/19/27/952241927.db2.gz NQIPLEGOLDIIFN-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575156254 952249828 /nfs/dbraw/zinc/24/98/28/952249828.db2.gz RKYOXPDJMMDJGW-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575156254 952249835 /nfs/dbraw/zinc/24/98/35/952249835.db2.gz RKYOXPDJMMDJGW-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575157251 952261775 /nfs/dbraw/zinc/26/17/75/952261775.db2.gz YMKWAWZTJCLSJJ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575157251 952261781 /nfs/dbraw/zinc/26/17/81/952261781.db2.gz YMKWAWZTJCLSJJ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575157212 952262088 /nfs/dbraw/zinc/26/20/88/952262088.db2.gz YBHUSRYFXAHKLL-KRWDZBQOSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575157212 952262096 /nfs/dbraw/zinc/26/20/96/952262096.db2.gz YBHUSRYFXAHKLL-KRWDZBQOSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575157704 952266464 /nfs/dbraw/zinc/26/64/64/952266464.db2.gz OXQWLRAUOXKVJC-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575157704 952266472 /nfs/dbraw/zinc/26/64/72/952266472.db2.gz OXQWLRAUOXKVJC-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCOC1CCOCC1 ZINC001575157612 952266647 /nfs/dbraw/zinc/26/66/47/952266647.db2.gz NNPZCCTUOREELN-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCOC1CCOCC1 ZINC001575157612 952266651 /nfs/dbraw/zinc/26/66/51/952266651.db2.gz NNPZCCTUOREELN-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575157620 952267034 /nfs/dbraw/zinc/26/70/34/952267034.db2.gz NQESJSAMYSWJHR-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575157620 952267036 /nfs/dbraw/zinc/26/70/36/952267036.db2.gz NQESJSAMYSWJHR-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575158442 952270768 /nfs/dbraw/zinc/27/07/68/952270768.db2.gz VIMJRVQIPDNRHN-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575158442 952270773 /nfs/dbraw/zinc/27/07/73/952270773.db2.gz VIMJRVQIPDNRHN-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575158326 952271040 /nfs/dbraw/zinc/27/10/40/952271040.db2.gz SYEKOBRDPAWTQS-SNVBAGLBSA-N -1 1 386.420 0.279 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575158670 952273675 /nfs/dbraw/zinc/27/36/75/952273675.db2.gz XAGNTUKVNFNXON-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575158670 952273680 /nfs/dbraw/zinc/27/36/80/952273680.db2.gz XAGNTUKVNFNXON-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575159285 952277203 /nfs/dbraw/zinc/27/72/03/952277203.db2.gz ZMBUVOJHAZKWMA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575159285 952277209 /nfs/dbraw/zinc/27/72/09/952277209.db2.gz ZMBUVOJHAZKWMA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575159292 952277258 /nfs/dbraw/zinc/27/72/58/952277258.db2.gz ZROAILDJRZFDQR-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575159292 952277263 /nfs/dbraw/zinc/27/72/63/952277263.db2.gz ZROAILDJRZFDQR-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575164703 952296323 /nfs/dbraw/zinc/29/63/23/952296323.db2.gz GRIWJQFCZGYTAU-QYNIQEEDSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575164703 952296327 /nfs/dbraw/zinc/29/63/27/952296327.db2.gz GRIWJQFCZGYTAU-QYNIQEEDSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1COCCO1 ZINC001575166266 952321254 /nfs/dbraw/zinc/32/12/54/952321254.db2.gz UGQJNNSLZZAECN-JGVFFNPUSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)CCNC(N)=O ZINC001575166357 952323854 /nfs/dbraw/zinc/32/38/54/952323854.db2.gz VJBHMCHZDCTHTQ-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575166268 952324376 /nfs/dbraw/zinc/32/43/76/952324376.db2.gz UGQJNNSLZZAECN-SFYZADRCSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575166503 952325367 /nfs/dbraw/zinc/32/53/67/952325367.db2.gz WXSBLBQDFJBSPG-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575166503 952325372 /nfs/dbraw/zinc/32/53/72/952325372.db2.gz WXSBLBQDFJBSPG-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575173928 952359483 /nfs/dbraw/zinc/35/94/83/952359483.db2.gz CXWWPUSEQVCFLN-GTNSWQLSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575173928 952359494 /nfs/dbraw/zinc/35/94/94/952359494.db2.gz CXWWPUSEQVCFLN-GTNSWQLSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575174092 952363718 /nfs/dbraw/zinc/36/37/18/952363718.db2.gz GZHURDAIAGFZKD-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575174092 952363727 /nfs/dbraw/zinc/36/37/27/952363727.db2.gz GZHURDAIAGFZKD-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575174174 952365112 /nfs/dbraw/zinc/36/51/12/952365112.db2.gz ITMVZNJIAWPGIA-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575174174 952365118 /nfs/dbraw/zinc/36/51/18/952365118.db2.gz ITMVZNJIAWPGIA-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575174119 952365579 /nfs/dbraw/zinc/36/55/79/952365579.db2.gz HLVCFSJGUNBIOL-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575174119 952365586 /nfs/dbraw/zinc/36/55/86/952365586.db2.gz HLVCFSJGUNBIOL-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575174528 952375406 /nfs/dbraw/zinc/37/54/06/952375406.db2.gz QGHYKALXQYUSFL-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575174528 952375409 /nfs/dbraw/zinc/37/54/09/952375409.db2.gz QGHYKALXQYUSFL-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)CCCC(N)=O ZINC001575177187 952400014 /nfs/dbraw/zinc/40/00/14/952400014.db2.gz HAURBUSPCUJBIY-ZETCQYMHSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)CCCC(N)=O ZINC001575177187 952400017 /nfs/dbraw/zinc/40/00/17/952400017.db2.gz HAURBUSPCUJBIY-ZETCQYMHSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575177167 952400117 /nfs/dbraw/zinc/40/01/17/952400117.db2.gz GWNGNNBWELDDIN-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575177167 952400121 /nfs/dbraw/zinc/40/01/21/952400121.db2.gz GWNGNNBWELDDIN-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1snnc1C1CC1 ZINC001575177488 952400752 /nfs/dbraw/zinc/40/07/52/952400752.db2.gz HTMRBOCSOBGUGV-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575177488 952400757 /nfs/dbraw/zinc/40/07/57/952400757.db2.gz HTMRBOCSOBGUGV-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575178839 952408685 /nfs/dbraw/zinc/40/86/85/952408685.db2.gz OBZPIZWCXQTHIA-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575178839 952408691 /nfs/dbraw/zinc/40/86/91/952408691.db2.gz OBZPIZWCXQTHIA-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575179527 952413501 /nfs/dbraw/zinc/41/35/01/952413501.db2.gz PYAKSFDDUUCWBN-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575179527 952413505 /nfs/dbraw/zinc/41/35/05/952413505.db2.gz PYAKSFDDUUCWBN-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575180194 952415457 /nfs/dbraw/zinc/41/54/57/952415457.db2.gz SYZHOPRUCAJPGO-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575180194 952415460 /nfs/dbraw/zinc/41/54/60/952415460.db2.gz SYZHOPRUCAJPGO-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575180550 952418175 /nfs/dbraw/zinc/41/81/75/952418175.db2.gz VWDFHOFBNDBMNZ-XVMARJQXSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575180550 952418179 /nfs/dbraw/zinc/41/81/79/952418179.db2.gz VWDFHOFBNDBMNZ-XVMARJQXSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001575185280 952431993 /nfs/dbraw/zinc/43/19/93/952431993.db2.gz OMOONORBFDVAMG-QMMMGPOBSA-N -1 1 379.377 0.777 20 0 GCADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001575185280 952431996 /nfs/dbraw/zinc/43/19/96/952431996.db2.gz OMOONORBFDVAMG-QMMMGPOBSA-N -1 1 379.377 0.777 20 0 GCADMM CC(C)(C)OC(=O)NC1CCN(CCNC(=O)[C@]2(C(=O)[O-])CCCO2)CC1 ZINC001602903441 971833301 /nfs/dbraw/zinc/83/33/01/971833301.db2.gz PCISXZPBFXIRMZ-SFHVURJKSA-N -1 1 385.461 0.726 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575188459 952447300 /nfs/dbraw/zinc/44/73/00/952447300.db2.gz ILQNCUUZTUVGOB-NEPJUHHUSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575188459 952447302 /nfs/dbraw/zinc/44/73/02/952447302.db2.gz ILQNCUUZTUVGOB-NEPJUHHUSA-N -1 1 386.416 0.360 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](c2ncccn2)C1 ZINC001571114674 952458873 /nfs/dbraw/zinc/45/88/73/952458873.db2.gz LJZOAUKFLHWITB-JTQLQIEISA-N -1 1 375.389 0.974 20 0 GCADMM CC(C)(C)OC(=O)[C@]1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCOC1 ZINC001571115250 952465338 /nfs/dbraw/zinc/46/53/38/952465338.db2.gz SMZGCYZNWCMXOM-INIZCTEOSA-N -1 1 375.389 0.884 20 0 GCADMM CC(C)(C)OC(=O)[C@]1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCOC1 ZINC001571115250 952465340 /nfs/dbraw/zinc/46/53/40/952465340.db2.gz SMZGCYZNWCMXOM-INIZCTEOSA-N -1 1 375.389 0.884 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575195347 952470413 /nfs/dbraw/zinc/47/04/13/952470413.db2.gz ALJSTBPXEUVYCN-HIFPTAJRSA-N -1 1 382.428 0.857 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575195350 952470722 /nfs/dbraw/zinc/47/07/22/952470722.db2.gz ALJSTBPXEUVYCN-PNESKVBLSA-N -1 1 382.428 0.857 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575196692 952476343 /nfs/dbraw/zinc/47/63/43/952476343.db2.gz IXCQZVOIXQXWRD-OUCADQQQSA-N -1 1 382.428 0.809 20 0 GCADMM CCCC[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCC1 ZINC001571117340 952480957 /nfs/dbraw/zinc/48/09/57/952480957.db2.gz JOLBHNKEUOFZJD-ZDUSSCGKSA-N -1 1 375.433 0.994 20 0 GCADMM CN(C)C(=O)Cn1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001571117294 952481182 /nfs/dbraw/zinc/48/11/82/952481182.db2.gz IMTLSYGMTGBXNQ-UHFFFAOYSA-N -1 1 375.418 0.535 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575197385 952483047 /nfs/dbraw/zinc/48/30/47/952483047.db2.gz VHUCBFSMULSGGE-AGIUHOORSA-N -1 1 380.412 0.918 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575197385 952483055 /nfs/dbraw/zinc/48/30/55/952483055.db2.gz VHUCBFSMULSGGE-AGIUHOORSA-N -1 1 380.412 0.918 20 0 GCADMM CN(C(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571117665 952483203 /nfs/dbraw/zinc/48/32/03/952483203.db2.gz OILGQMLGLVNSGP-SNVBAGLBSA-N -1 1 375.458 0.240 20 0 GCADMM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC001571117808 952484108 /nfs/dbraw/zinc/48/41/08/952484108.db2.gz QVVDTNNMGOTXHC-DGXCBMPPSA-N -1 1 375.414 0.577 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575197414 952484274 /nfs/dbraw/zinc/48/42/74/952484274.db2.gz VOLIOKNEZKMFCM-AVGNSLFASA-N -1 1 380.412 0.918 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575197414 952484277 /nfs/dbraw/zinc/48/42/77/952484277.db2.gz VOLIOKNEZKMFCM-AVGNSLFASA-N -1 1 380.412 0.918 20 0 GCADMM CNC(=O)Cn1nc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1C ZINC001571118046 952485224 /nfs/dbraw/zinc/48/52/24/952485224.db2.gz SKKLBGHIEIWAHC-UHFFFAOYSA-N -1 1 375.418 0.501 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575199563 952489706 /nfs/dbraw/zinc/48/97/06/952489706.db2.gz DBXXHFGHZXVGLF-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575199563 952489709 /nfs/dbraw/zinc/48/97/09/952489709.db2.gz DBXXHFGHZXVGLF-WCQYABFASA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575199995 952491718 /nfs/dbraw/zinc/49/17/18/952491718.db2.gz GNDVAQQBNLKZTI-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575199995 952491724 /nfs/dbraw/zinc/49/17/24/952491724.db2.gz GNDVAQQBNLKZTI-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)C2CC2)no1 ZINC001571119486 952492524 /nfs/dbraw/zinc/49/25/24/952492524.db2.gz CCHDBTUNVQENRX-AWEZNQCLSA-N -1 1 376.402 0.557 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)on1 ZINC001571120085 952499459 /nfs/dbraw/zinc/49/94/59/952499459.db2.gz JFFJHZUPBBUJSS-QMMMGPOBSA-N -1 1 376.402 0.955 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)[C@H]1CC1(F)F ZINC001571120427 952503088 /nfs/dbraw/zinc/50/30/88/952503088.db2.gz LHRDVOONQCURQP-WMFXKJRFSA-N -1 1 376.371 0.787 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)[C@H]1CC1(F)F ZINC001571120427 952503092 /nfs/dbraw/zinc/50/30/92/952503092.db2.gz LHRDVOONQCURQP-WMFXKJRFSA-N -1 1 376.371 0.787 20 0 GCADMM O=C(NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@]1(F)CCOC1 ZINC001571120495 952506028 /nfs/dbraw/zinc/50/60/28/952506028.db2.gz NUKZKVMSTIOFJS-PRDDCLIZSA-N -1 1 376.396 0.625 20 0 GCADMM O=C(NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@]1(F)CCOC1 ZINC001571120495 952506030 /nfs/dbraw/zinc/50/60/30/952506030.db2.gz NUKZKVMSTIOFJS-PRDDCLIZSA-N -1 1 376.396 0.625 20 0 GCADMM C[C@@]1(NC(=O)c2cc(Cl)no2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120750 952508368 /nfs/dbraw/zinc/50/83/68/952508368.db2.gz PFPHNQMEJMUCBG-CQSZACIVSA-N -1 1 375.780 0.697 20 0 GCADMM C[C@@]1(NC(=O)c2cc(Cl)no2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120750 952508377 /nfs/dbraw/zinc/50/83/77/952508377.db2.gz PFPHNQMEJMUCBG-CQSZACIVSA-N -1 1 375.780 0.697 20 0 GCADMM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)O2)[C@H]1C ZINC001571121080 952514665 /nfs/dbraw/zinc/51/46/65/952514665.db2.gz WBSSDBVCVGKAKI-ZSYFIWHWSA-N -1 1 376.421 0.694 20 0 GCADMM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)O2)[C@H]1C ZINC001571121080 952514670 /nfs/dbraw/zinc/51/46/70/952514670.db2.gz WBSSDBVCVGKAKI-ZSYFIWHWSA-N -1 1 376.421 0.694 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575203073 952517870 /nfs/dbraw/zinc/51/78/70/952517870.db2.gz ZMKBJLMWUKSPPR-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575203073 952517875 /nfs/dbraw/zinc/51/78/75/952517875.db2.gz ZMKBJLMWUKSPPR-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571121336 952519168 /nfs/dbraw/zinc/51/91/68/952519168.db2.gz YOXVTHIAETUJLG-ZBEGNZNMSA-N -1 1 376.396 0.070 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571121334 952519590 /nfs/dbraw/zinc/51/95/90/952519590.db2.gz YOXVTHIAETUJLG-BZNIZROVSA-N -1 1 376.396 0.070 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575205956 952526620 /nfs/dbraw/zinc/52/66/20/952526620.db2.gz FZVWWVGKZMQAIS-RAIGVLPGSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575205956 952526623 /nfs/dbraw/zinc/52/66/23/952526623.db2.gz FZVWWVGKZMQAIS-RAIGVLPGSA-N -1 1 382.432 0.328 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571122840 952528030 /nfs/dbraw/zinc/52/80/30/952528030.db2.gz MKACYOXDHAFQGO-NSHDSACASA-N -1 1 376.490 0.871 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575206749 952530689 /nfs/dbraw/zinc/53/06/89/952530689.db2.gz LOVHKBJLXIBTFL-NEPJUHHUSA-N -1 1 384.448 0.210 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571123474 952531300 /nfs/dbraw/zinc/53/13/00/952531300.db2.gz SJINVLBUGGHQLW-UWVGGRQHSA-N -1 1 376.446 0.171 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575207073 952532343 /nfs/dbraw/zinc/53/23/43/952532343.db2.gz NMVXFYSBHPCWOD-BZPMIXESSA-N -1 1 396.459 0.352 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575207073 952532353 /nfs/dbraw/zinc/53/23/53/952532353.db2.gz NMVXFYSBHPCWOD-BZPMIXESSA-N -1 1 396.459 0.352 20 0 GCADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571124069 952534085 /nfs/dbraw/zinc/53/40/85/952534085.db2.gz YCWADTKYCRWZIJ-LPEHRKFASA-N -1 1 376.446 0.359 20 0 GCADMM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571124240 952536126 /nfs/dbraw/zinc/53/61/26/952536126.db2.gz CHVXIVPORBGGFG-LBPRGKRZSA-N -1 1 377.405 0.418 20 0 GCADMM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571124240 952536131 /nfs/dbraw/zinc/53/61/31/952536131.db2.gz CHVXIVPORBGGFG-LBPRGKRZSA-N -1 1 377.405 0.418 20 0 GCADMM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001571124236 952536634 /nfs/dbraw/zinc/53/66/34/952536634.db2.gz CAISLYHLHGFLSN-OIBJUYFYSA-N -1 1 377.390 0.344 20 0 GCADMM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001571124236 952536637 /nfs/dbraw/zinc/53/66/37/952536637.db2.gz CAISLYHLHGFLSN-OIBJUYFYSA-N -1 1 377.390 0.344 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575207962 952537399 /nfs/dbraw/zinc/53/73/99/952537399.db2.gz XICZVAOFXORTSP-LLVKDONJSA-N -1 1 382.432 0.330 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575207962 952537403 /nfs/dbraw/zinc/53/74/03/952537403.db2.gz XICZVAOFXORTSP-LLVKDONJSA-N -1 1 382.432 0.330 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H](CF)c1ccc(F)cc1 ZINC001571124491 952539538 /nfs/dbraw/zinc/53/95/38/952539538.db2.gz KSJHPCZPXCASLK-LLVKDONJSA-N -1 1 377.311 0.095 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccncc1 ZINC001571127118 952550354 /nfs/dbraw/zinc/55/03/54/952550354.db2.gz GLZFUBTURLRADH-RDTXWAMCSA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccncc1 ZINC001571127118 952550358 /nfs/dbraw/zinc/55/03/58/952550358.db2.gz GLZFUBTURLRADH-RDTXWAMCSA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1scnc1Cl ZINC001571127224 952551756 /nfs/dbraw/zinc/55/17/56/952551756.db2.gz BWMNGJBFUCZYRP-SSDOTTSWSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1scnc1Cl ZINC001571127224 952551757 /nfs/dbraw/zinc/55/17/57/952551757.db2.gz BWMNGJBFUCZYRP-SSDOTTSWSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571127460 952555638 /nfs/dbraw/zinc/55/56/38/952555638.db2.gz JQMYNXGVKIQSKS-GJZGRUSLSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571127460 952555639 /nfs/dbraw/zinc/55/56/39/952555639.db2.gz JQMYNXGVKIQSKS-GJZGRUSLSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1csc(Cl)n1 ZINC001571127555 952558131 /nfs/dbraw/zinc/55/81/31/952558131.db2.gz HZQLZQQDSGOPOE-ZETCQYMHSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1csc(Cl)n1 ZINC001571127555 952558134 /nfs/dbraw/zinc/55/81/34/952558134.db2.gz HZQLZQQDSGOPOE-ZETCQYMHSA-N -1 1 377.821 0.775 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575214140 952562912 /nfs/dbraw/zinc/56/29/12/952562912.db2.gz JJTIMMZNWDAOQK-GDGBQDQQSA-N -1 1 378.387 0.889 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575214140 952562915 /nfs/dbraw/zinc/56/29/15/952562915.db2.gz JJTIMMZNWDAOQK-GDGBQDQQSA-N -1 1 378.387 0.889 20 0 GCADMM O=C(c1ccncc1)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571128148 952563380 /nfs/dbraw/zinc/56/33/80/952563380.db2.gz PBDCQTGPQLXZMO-KBPBESRZSA-N -1 1 377.412 0.793 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575214591 952564980 /nfs/dbraw/zinc/56/49/80/952564980.db2.gz MVXJYDFVROHQJE-RKDXNWHRSA-N -1 1 382.375 0.004 20 0 GCADMM O=C(Cc1cccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571128495 952568467 /nfs/dbraw/zinc/56/84/67/952568467.db2.gz UVLOREOKLLEJRG-MCIONIFRSA-N -1 1 377.412 0.520 20 0 GCADMM O=C(Cc1cccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571128495 952568474 /nfs/dbraw/zinc/56/84/74/952568474.db2.gz UVLOREOKLLEJRG-MCIONIFRSA-N -1 1 377.412 0.520 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575215567 952569235 /nfs/dbraw/zinc/56/92/35/952569235.db2.gz VSHFYDYGHBIAJO-UHFFFAOYSA-N -1 1 384.391 0.571 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575215567 952569230 /nfs/dbraw/zinc/56/92/30/952569230.db2.gz VSHFYDYGHBIAJO-UHFFFAOYSA-N -1 1 384.391 0.571 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575215919 952570258 /nfs/dbraw/zinc/57/02/58/952570258.db2.gz ZJWHSLZVGHDKEL-NXEZZACHSA-N -1 1 382.375 0.004 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575215919 952570263 /nfs/dbraw/zinc/57/02/63/952570263.db2.gz ZJWHSLZVGHDKEL-NXEZZACHSA-N -1 1 382.375 0.004 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccccn1 ZINC001571128977 952572212 /nfs/dbraw/zinc/57/22/12/952572212.db2.gz YJWULDRSCFRNFE-RDTXWAMCSA-N -1 1 377.412 0.983 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccccn1 ZINC001571128977 952572213 /nfs/dbraw/zinc/57/22/13/952572213.db2.gz YJWULDRSCFRNFE-RDTXWAMCSA-N -1 1 377.412 0.983 20 0 GCADMM Cc1cccnc1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571129043 952573383 /nfs/dbraw/zinc/57/33/83/952573383.db2.gz ZUHGRANMCGDISX-XYYAHUGASA-N -1 1 377.412 0.472 20 0 GCADMM Cc1cccnc1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571129043 952573385 /nfs/dbraw/zinc/57/33/85/952573385.db2.gz ZUHGRANMCGDISX-XYYAHUGASA-N -1 1 377.412 0.472 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571130727 952581669 /nfs/dbraw/zinc/58/16/69/952581669.db2.gz VRPGDTRVAZXBAV-MNOVXSKESA-N -1 1 378.387 0.987 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571130727 952581674 /nfs/dbraw/zinc/58/16/74/952581674.db2.gz VRPGDTRVAZXBAV-MNOVXSKESA-N -1 1 378.387 0.987 20 0 GCADMM O=C(CC1CC(F)(F)C1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571130859 952582346 /nfs/dbraw/zinc/58/23/46/952582346.db2.gz XJNHOFJKWFZYOE-LLVKDONJSA-N -1 1 378.387 0.917 20 0 GCADMM NS(=O)(=O)Cc1cccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001571134563 952591841 /nfs/dbraw/zinc/59/18/41/952591841.db2.gz GYIPRSIIQPSVBK-UHFFFAOYSA-N -1 1 378.439 0.647 20 0 GCADMM CCOC(=O)[C@@](C)(CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC001571134740 952595281 /nfs/dbraw/zinc/59/52/81/952595281.db2.gz KVBLRJZFOAMNPP-MEDUHNTESA-N -1 1 378.437 0.751 20 0 GCADMM CCCC[C@@H](O)CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571135071 952599406 /nfs/dbraw/zinc/59/94/06/952599406.db2.gz OYBGROHXFAIQAG-LLVKDONJSA-N -1 1 378.437 0.696 20 0 GCADMM CCCC[C@@H](O)CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571135071 952599411 /nfs/dbraw/zinc/59/94/11/952599411.db2.gz OYBGROHXFAIQAG-LLVKDONJSA-N -1 1 378.437 0.696 20 0 GCADMM O=C(c1ncccn1)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571135728 952607981 /nfs/dbraw/zinc/60/79/81/952607981.db2.gz CDFAGMBBMULKOB-KRWDZBQOSA-N -1 1 378.400 0.189 20 0 GCADMM O=C(c1ncccn1)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571135728 952607984 /nfs/dbraw/zinc/60/79/84/952607984.db2.gz CDFAGMBBMULKOB-KRWDZBQOSA-N -1 1 378.400 0.189 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)c1cncnc1 ZINC001571135855 952609628 /nfs/dbraw/zinc/60/96/28/952609628.db2.gz GJGZZBDUGBIZHU-DRZSPHRISA-N -1 1 378.400 0.234 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)c1cncnc1 ZINC001571135855 952609632 /nfs/dbraw/zinc/60/96/32/952609632.db2.gz GJGZZBDUGBIZHU-DRZSPHRISA-N -1 1 378.400 0.234 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)nn1 ZINC001571136047 952612217 /nfs/dbraw/zinc/61/22/17/952612217.db2.gz LEAZHZUZBLAIOJ-SMDDNHRTSA-N -1 1 378.400 0.106 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)nn1 ZINC001571136047 952612220 /nfs/dbraw/zinc/61/22/20/952612220.db2.gz LEAZHZUZBLAIOJ-SMDDNHRTSA-N -1 1 378.400 0.106 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1ncccn1 ZINC001571136567 952614707 /nfs/dbraw/zinc/61/47/07/952614707.db2.gz QUJKWZBPWRKMBM-QWRGUYRKSA-N -1 1 378.400 0.600 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1ncccn1 ZINC001571136567 952614710 /nfs/dbraw/zinc/61/47/10/952614710.db2.gz QUJKWZBPWRKMBM-QWRGUYRKSA-N -1 1 378.400 0.600 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571136576 952615522 /nfs/dbraw/zinc/61/55/22/952615522.db2.gz RHJUGMIQKYUZHR-NSHDSACASA-N -1 1 378.400 0.651 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571136576 952615525 /nfs/dbraw/zinc/61/55/25/952615525.db2.gz RHJUGMIQKYUZHR-NSHDSACASA-N -1 1 378.400 0.651 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1Cc2ccccc2O1 ZINC001571136772 952615746 /nfs/dbraw/zinc/61/57/46/952615746.db2.gz VJRWTOGRLJRYBX-DOMZBBRYSA-N -1 1 378.396 0.355 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1Cc2ccccc2O1 ZINC001571136772 952615747 /nfs/dbraw/zinc/61/57/47/952615747.db2.gz VJRWTOGRLJRYBX-DOMZBBRYSA-N -1 1 378.396 0.355 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1occ2c1CCC2 ZINC001571136979 952616832 /nfs/dbraw/zinc/61/68/32/952616832.db2.gz YVSPENGUSGEGDS-ITGUQSILSA-N -1 1 378.396 0.603 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1occ2c1CCC2 ZINC001571136979 952616836 /nfs/dbraw/zinc/61/68/36/952616836.db2.gz YVSPENGUSGEGDS-ITGUQSILSA-N -1 1 378.396 0.603 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)c1cncnc1 ZINC001571137016 952618007 /nfs/dbraw/zinc/61/80/07/952618007.db2.gz ZRMLTGRGPGERTP-PXAZEXFGSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)c1cncnc1 ZINC001571137016 952618009 /nfs/dbraw/zinc/61/80/09/952618009.db2.gz ZRMLTGRGPGERTP-PXAZEXFGSA-N -1 1 378.400 0.378 20 0 GCADMM CS[C@H](C)C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571142773 952645843 /nfs/dbraw/zinc/64/58/43/952645843.db2.gz YAPUSQRAPYZFCP-BMIGLBTASA-N -1 1 378.462 0.174 20 0 GCADMM CS[C@H](C)C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571142773 952645850 /nfs/dbraw/zinc/64/58/50/952645850.db2.gz YAPUSQRAPYZFCP-BMIGLBTASA-N -1 1 378.462 0.174 20 0 GCADMM CS[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571142775 952646060 /nfs/dbraw/zinc/64/60/60/952646060.db2.gz YAPUSQRAPYZFCP-MEBBXXQBSA-N -1 1 378.462 0.174 20 0 GCADMM CS[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571142775 952646062 /nfs/dbraw/zinc/64/60/62/952646062.db2.gz YAPUSQRAPYZFCP-MEBBXXQBSA-N -1 1 378.462 0.174 20 0 GCADMM O=C(Cc1cccnc1)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571146232 952647847 /nfs/dbraw/zinc/64/78/47/952647847.db2.gz DTZGXKRIISLZJW-UONOGXRCSA-N -1 1 379.428 0.991 20 0 GCADMM O=C(Cc1cccnc1)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571146232 952647850 /nfs/dbraw/zinc/64/78/50/952647850.db2.gz DTZGXKRIISLZJW-UONOGXRCSA-N -1 1 379.428 0.991 20 0 GCADMM Cn1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)c1 ZINC001571146637 952651620 /nfs/dbraw/zinc/65/16/20/952651620.db2.gz KOQJITSGRZQBCN-AGUYFDCRSA-N -1 1 379.428 0.925 20 0 GCADMM Cn1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)c1 ZINC001571146637 952651621 /nfs/dbraw/zinc/65/16/21/952651621.db2.gz KOQJITSGRZQBCN-AGUYFDCRSA-N -1 1 379.428 0.925 20 0 GCADMM O=C(CCc1cccnc1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571147064 952656195 /nfs/dbraw/zinc/65/61/95/952656195.db2.gz RTEGMWFYIJHLHL-CQSZACIVSA-N -1 1 379.428 0.945 20 0 GCADMM O=C(CCc1cccnc1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571147064 952656200 /nfs/dbraw/zinc/65/62/00/952656200.db2.gz RTEGMWFYIJHLHL-CQSZACIVSA-N -1 1 379.428 0.945 20 0 GCADMM Cn1cccc1C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571147101 952656329 /nfs/dbraw/zinc/65/63/29/952656329.db2.gz SXKLIEVNMIOJFD-CYBMUJFWSA-N -1 1 379.428 0.784 20 0 GCADMM CN(C(=O)c1cc2c([nH]1)CCC2)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571147112 952657527 /nfs/dbraw/zinc/65/75/27/952657527.db2.gz GPWGNIOHNKKRKD-LBPRGKRZSA-N -1 1 379.428 0.824 20 0 GCADMM CN(C(=O)c1cc2c([nH]1)CCC2)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571147112 952657528 /nfs/dbraw/zinc/65/75/28/952657528.db2.gz GPWGNIOHNKKRKD-LBPRGKRZSA-N -1 1 379.428 0.824 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571147167 952658096 /nfs/dbraw/zinc/65/80/96/952658096.db2.gz HZDZWPWQTFHBGH-GUBZILKMSA-N -1 1 379.425 0.437 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cccnc1 ZINC001571147187 952658715 /nfs/dbraw/zinc/65/87/15/952658715.db2.gz IQKTZZIPGHBRFD-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001571147187 952658719 /nfs/dbraw/zinc/65/87/19/952658719.db2.gz IQKTZZIPGHBRFD-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM CCc1ccnc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571147343 952660929 /nfs/dbraw/zinc/66/09/29/952660929.db2.gz KOSJWEAVGUANTH-UHFFFAOYSA-N -1 1 379.428 0.751 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cccnc2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571147881 952664445 /nfs/dbraw/zinc/66/44/45/952664445.db2.gz RNXJSQUFXJRKNF-TZMCWYRMSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cccnc2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571147881 952664447 /nfs/dbraw/zinc/66/44/47/952664447.db2.gz RNXJSQUFXJRKNF-TZMCWYRMSA-N -1 1 379.428 0.943 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)CCc2ccccn2)C1 ZINC001571148243 952666384 /nfs/dbraw/zinc/66/63/84/952666384.db2.gz WSFKBJAHMXPODU-AWEZNQCLSA-N -1 1 379.428 0.722 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3ncccc3C)C2)n1 ZINC001571148423 952667486 /nfs/dbraw/zinc/66/74/86/952667486.db2.gz ZDSJKEJHZPMFGA-GFCCVEGCSA-N -1 1 379.428 0.931 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3ncccc3C)C2)n1 ZINC001571148423 952667490 /nfs/dbraw/zinc/66/74/90/952667490.db2.gz ZDSJKEJHZPMFGA-GFCCVEGCSA-N -1 1 379.428 0.931 20 0 GCADMM Cc1nsc(N2CC[C@H](N(C)C(=O)[C@@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571150858 952671274 /nfs/dbraw/zinc/67/12/74/952671274.db2.gz HQHAJDPEURAWOM-QWRGUYRKSA-N -1 1 379.446 0.084 20 0 GCADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)[C@@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571150857 952671279 /nfs/dbraw/zinc/67/12/79/952671279.db2.gz HQHAJDPEURAWOM-MNOVXSKESA-N -1 1 379.446 0.084 20 0 GCADMM O=C(Cn1ccnc1)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571152062 952681571 /nfs/dbraw/zinc/68/15/71/952681571.db2.gz CEAXNBUGRNXLHZ-MRVPVSSYSA-N -1 1 379.837 0.886 20 0 GCADMM COc1c(F)cc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c(OC)c1F ZINC001571152994 952684956 /nfs/dbraw/zinc/68/49/56/952684956.db2.gz MXNADWMUOIJPGC-ZCFIWIBFSA-N -1 1 380.315 0.953 20 0 GCADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571153331 952685336 /nfs/dbraw/zinc/68/53/36/952685336.db2.gz OFIIHIUESAKTQX-UTLUCORTSA-N -1 1 380.359 0.197 20 0 GCADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571153331 952685339 /nfs/dbraw/zinc/68/53/39/952685339.db2.gz OFIIHIUESAKTQX-UTLUCORTSA-N -1 1 380.359 0.197 20 0 GCADMM COCc1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571154858 952690246 /nfs/dbraw/zinc/69/02/46/952690246.db2.gz CMBYVPWPESHWJR-ZDUSSCGKSA-N -1 1 380.412 0.812 20 0 GCADMM COCc1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571154858 952690249 /nfs/dbraw/zinc/69/02/49/952690249.db2.gz CMBYVPWPESHWJR-ZDUSSCGKSA-N -1 1 380.412 0.812 20 0 GCADMM O=C1C[C@]2(NS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCCC[C@@H]2N1 ZINC001571155109 952692878 /nfs/dbraw/zinc/69/28/78/952692878.db2.gz IBVPKQWDKVATPV-XHDPSFHLSA-N -1 1 380.405 0.485 20 0 GCADMM O=C1C[C@]2(NS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCCC[C@@H]2N1 ZINC001571155109 952692882 /nfs/dbraw/zinc/69/28/82/952692882.db2.gz IBVPKQWDKVATPV-XHDPSFHLSA-N -1 1 380.405 0.485 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2ccc(F)cc21 ZINC001571155173 952693762 /nfs/dbraw/zinc/69/37/62/952693762.db2.gz JUMCKWCNFGCAMP-GXTWGEPZSA-N -1 1 380.387 0.831 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@@H](F)c1ccccc1 ZINC001571155147 952694126 /nfs/dbraw/zinc/69/41/26/952694126.db2.gz IZWYHESOBRLNFG-SHUKQUCYSA-N -1 1 380.387 0.918 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@@H](F)c1ccccc1 ZINC001571155147 952694130 /nfs/dbraw/zinc/69/41/30/952694130.db2.gz IZWYHESOBRLNFG-SHUKQUCYSA-N -1 1 380.387 0.918 20 0 GCADMM CN(C[C@@H](O)CN(C)C(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001571155484 952697759 /nfs/dbraw/zinc/69/77/59/952697759.db2.gz UEOKUWRDVSCKJD-NSHDSACASA-N -1 1 380.405 0.760 20 0 GCADMM CN(C[C@@H](O)CN(C)C(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC001571155484 952697763 /nfs/dbraw/zinc/69/77/63/952697763.db2.gz UEOKUWRDVSCKJD-NSHDSACASA-N -1 1 380.405 0.760 20 0 GCADMM CN(C[C@H]1CCN(C(=O)c2ccccc2O)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571155556 952698844 /nfs/dbraw/zinc/69/88/44/952698844.db2.gz WMPQQFYEEDMLEL-GFCCVEGCSA-N -1 1 380.412 0.961 20 0 GCADMM CN(C[C@H]1CCN(C(=O)c2ccccc2O)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571155556 952698848 /nfs/dbraw/zinc/69/88/48/952698848.db2.gz WMPQQFYEEDMLEL-GFCCVEGCSA-N -1 1 380.412 0.961 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)cc(C)n1 ZINC001571156021 952700904 /nfs/dbraw/zinc/70/09/04/952700904.db2.gz AWSMPZWMILRQJL-TZMCWYRMSA-N -1 1 379.428 0.806 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571156704 952703145 /nfs/dbraw/zinc/70/31/45/952703145.db2.gz HIFIOFYTUQOGEF-ZDUSSCGKSA-N -1 1 379.428 0.665 20 0 GCADMM Cc1cnccc1C(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571156709 952703757 /nfs/dbraw/zinc/70/37/57/952703757.db2.gz HLBRKGVSXSMXDD-QWHCGFSZSA-N -1 1 379.428 0.935 20 0 GCADMM Cc1ccn(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571156806 952704387 /nfs/dbraw/zinc/70/43/87/952704387.db2.gz KHHOGPSXZHNUMI-BETUJISGSA-N -1 1 379.428 0.797 20 0 GCADMM Cc1ccn(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571156806 952704393 /nfs/dbraw/zinc/70/43/93/952704393.db2.gz KHHOGPSXZHNUMI-BETUJISGSA-N -1 1 379.428 0.797 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)cc1 ZINC001571157937 952709008 /nfs/dbraw/zinc/70/90/08/952709008.db2.gz DAWGJQNYSVAHMM-UKRRQHHQSA-N -1 1 380.412 0.335 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)cc1 ZINC001571157937 952709012 /nfs/dbraw/zinc/70/90/12/952709012.db2.gz DAWGJQNYSVAHMM-UKRRQHHQSA-N -1 1 380.412 0.335 20 0 GCADMM Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571158881 952714840 /nfs/dbraw/zinc/71/48/40/952714840.db2.gz SXXBLCPLZUKMDU-CHWSQXEVSA-N -1 1 379.428 0.935 20 0 GCADMM COc1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571159110 952717366 /nfs/dbraw/zinc/71/73/66/952717366.db2.gz QOQSFKAWRDUPAW-CYBMUJFWSA-N -1 1 380.412 0.921 20 0 GCADMM COc1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571159110 952717368 /nfs/dbraw/zinc/71/73/68/952717368.db2.gz QOQSFKAWRDUPAW-CYBMUJFWSA-N -1 1 380.412 0.921 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(C)c1 ZINC001571159092 952717429 /nfs/dbraw/zinc/71/74/29/952717429.db2.gz QJPFNTKCNJILJC-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(C)c1 ZINC001571159092 952717430 /nfs/dbraw/zinc/71/74/30/952717430.db2.gz QJPFNTKCNJILJC-UHFFFAOYSA-N -1 1 380.412 0.936 20 0 GCADMM COc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571159301 952718146 /nfs/dbraw/zinc/71/81/46/952718146.db2.gz UFLGYEWXPLRHEE-CYBMUJFWSA-N -1 1 380.412 0.603 20 0 GCADMM COc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571159301 952718150 /nfs/dbraw/zinc/71/81/50/952718150.db2.gz UFLGYEWXPLRHEE-CYBMUJFWSA-N -1 1 380.412 0.603 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1 ZINC001571159736 952721746 /nfs/dbraw/zinc/72/17/46/952721746.db2.gz ZOTHRSZOECGWGZ-CQSZACIVSA-N -1 1 380.412 0.600 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1 ZINC001571159736 952721749 /nfs/dbraw/zinc/72/17/49/952721749.db2.gz ZOTHRSZOECGWGZ-CQSZACIVSA-N -1 1 380.412 0.600 20 0 GCADMM O=C(Cc1ccco1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571160048 952723434 /nfs/dbraw/zinc/72/34/34/952723434.db2.gz BZKIHMFHTZMMPQ-SGTLLEGYSA-N -1 1 380.412 0.968 20 0 GCADMM O=C(Cc1ccco1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571160048 952723437 /nfs/dbraw/zinc/72/34/37/952723437.db2.gz BZKIHMFHTZMMPQ-SGTLLEGYSA-N -1 1 380.412 0.968 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[nH]c2)C3)n1 ZINC001571161796 952734516 /nfs/dbraw/zinc/73/45/16/952734516.db2.gz APWFYVZOBXAELW-MDZLAQPJSA-N -1 1 380.416 0.482 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[nH]c2)C3)n1 ZINC001571161796 952734523 /nfs/dbraw/zinc/73/45/23/952734523.db2.gz APWFYVZOBXAELW-MDZLAQPJSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571161821 952735271 /nfs/dbraw/zinc/73/52/71/952735271.db2.gz BGFJUWPOJNJNPQ-RYUDHWBXSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1ccc(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)nn1 ZINC001571161846 952735344 /nfs/dbraw/zinc/73/53/44/952735344.db2.gz CBRUMELYFPNZBL-UHFFFAOYSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1ccc(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)nn1 ZINC001571161846 952735349 /nfs/dbraw/zinc/73/53/49/952735349.db2.gz CBRUMELYFPNZBL-UHFFFAOYSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571161850 952735551 /nfs/dbraw/zinc/73/55/51/952735551.db2.gz CDHKONMLZJMTRS-KGLIPLIRSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571161850 952735556 /nfs/dbraw/zinc/73/55/56/952735556.db2.gz CDHKONMLZJMTRS-KGLIPLIRSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571161822 952735574 /nfs/dbraw/zinc/73/55/74/952735574.db2.gz BGFJUWPOJNJNPQ-VXGBXAGGSA-N -1 1 380.416 0.429 20 0 GCADMM CCc1nnc(C)cc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571161845 952735602 /nfs/dbraw/zinc/73/56/02/952735602.db2.gz CBHOSBNXFBECBB-PHIMTYICSA-N -1 1 380.416 0.690 20 0 GCADMM CCc1nnc(C)cc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571161845 952735606 /nfs/dbraw/zinc/73/56/06/952735606.db2.gz CBHOSBNXFBECBB-PHIMTYICSA-N -1 1 380.416 0.690 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571161917 952736329 /nfs/dbraw/zinc/73/63/29/952736329.db2.gz FAWXNYNZFCWBDX-NSHDSACASA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571161917 952736332 /nfs/dbraw/zinc/73/63/32/952736332.db2.gz FAWXNYNZFCWBDX-NSHDSACASA-N -1 1 380.416 0.897 20 0 GCADMM CN(C)c1ncccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571161885 952736406 /nfs/dbraw/zinc/73/64/06/952736406.db2.gz DHUWNMMALPAJEJ-NSHDSACASA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1ncccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571161885 952736409 /nfs/dbraw/zinc/73/64/09/952736409.db2.gz DHUWNMMALPAJEJ-NSHDSACASA-N -1 1 380.416 0.444 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)nn1 ZINC001571161936 952736499 /nfs/dbraw/zinc/73/64/99/952736499.db2.gz FREJMEMEXZOJBC-LBPRGKRZSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)nn1 ZINC001571161936 952736503 /nfs/dbraw/zinc/73/65/03/952736503.db2.gz FREJMEMEXZOJBC-LBPRGKRZSA-N -1 1 380.416 0.462 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571161916 952736625 /nfs/dbraw/zinc/73/66/25/952736625.db2.gz FAWXNYNZFCWBDX-LLVKDONJSA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571161916 952736630 /nfs/dbraw/zinc/73/66/30/952736630.db2.gz FAWXNYNZFCWBDX-LLVKDONJSA-N -1 1 380.416 0.897 20 0 GCADMM CN(C(=O)c1cc(C2CC2)n[nH]1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571161950 952736759 /nfs/dbraw/zinc/73/67/59/952736759.db2.gz GABKVJPLOQTWIE-LLVKDONJSA-N -1 1 380.416 0.608 20 0 GCADMM Cc1cnc(C(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001571161992 952737003 /nfs/dbraw/zinc/73/70/03/952737003.db2.gz GYKMDOUUDWVKJG-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cnc(C(=O)N(C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001571161992 952737009 /nfs/dbraw/zinc/73/70/09/952737009.db2.gz GYKMDOUUDWVKJG-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)nn1 ZINC001571162033 952737291 /nfs/dbraw/zinc/73/72/91/952737291.db2.gz IJSGUGKRFDVUGF-GFCCVEGCSA-N -1 1 380.416 0.699 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)nn1 ZINC001571162033 952737295 /nfs/dbraw/zinc/73/72/95/952737295.db2.gz IJSGUGKRFDVUGF-GFCCVEGCSA-N -1 1 380.416 0.699 20 0 GCADMM C[C@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571161985 952737454 /nfs/dbraw/zinc/73/74/54/952737454.db2.gz GWPJZECFSJMWQC-WDEREUQCSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571161985 952737457 /nfs/dbraw/zinc/73/74/57/952737457.db2.gz GWPJZECFSJMWQC-WDEREUQCSA-N -1 1 380.416 0.372 20 0 GCADMM CCn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571162022 952737636 /nfs/dbraw/zinc/73/76/36/952737636.db2.gz IATMOEXMCLUCAJ-TXEJJXNPSA-N -1 1 380.416 0.367 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)ncn1 ZINC001571162093 952738333 /nfs/dbraw/zinc/73/83/33/952738333.db2.gz JTIOHOWNYOJLMQ-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)ncn1 ZINC001571162093 952738334 /nfs/dbraw/zinc/73/83/34/952738334.db2.gz JTIOHOWNYOJLMQ-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM C[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571162178 952739863 /nfs/dbraw/zinc/73/98/63/952739863.db2.gz MXGJSLAZOGNGRB-XPTSAGLGSA-N -1 1 380.416 0.830 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn2c1CCC2 ZINC001571162202 952740805 /nfs/dbraw/zinc/74/08/05/952740805.db2.gz NTYLJMUZWJAOTF-CMPLNLGQSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn2c1CCC2 ZINC001571162202 952740810 /nfs/dbraw/zinc/74/08/10/952740810.db2.gz NTYLJMUZWJAOTF-CMPLNLGQSA-N -1 1 380.416 0.515 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162242 952740913 /nfs/dbraw/zinc/74/09/13/952740913.db2.gz OMDHFGUOQRACBT-NWDGAFQWSA-N -1 1 380.416 0.140 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571162216 952741050 /nfs/dbraw/zinc/74/10/50/952741050.db2.gz NZBNHLFOOKQTBU-VXGBXAGGSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571162216 952741055 /nfs/dbraw/zinc/74/10/55/952741055.db2.gz NZBNHLFOOKQTBU-VXGBXAGGSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1ccnn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571162317 952741967 /nfs/dbraw/zinc/74/19/67/952741967.db2.gz QGOKCQTZRYHJGU-BETUJISGSA-N -1 1 380.416 0.041 20 0 GCADMM Cc1ccnn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571162317 952741970 /nfs/dbraw/zinc/74/19/70/952741970.db2.gz QGOKCQTZRYHJGU-BETUJISGSA-N -1 1 380.416 0.041 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)cnn1 ZINC001571162378 952742811 /nfs/dbraw/zinc/74/28/11/952742811.db2.gz SHXHSEDZJQJVGN-ZDUSSCGKSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)cnn1 ZINC001571162378 952742815 /nfs/dbraw/zinc/74/28/15/952742815.db2.gz SHXHSEDZJQJVGN-ZDUSSCGKSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571162418 952743107 /nfs/dbraw/zinc/74/31/07/952743107.db2.gz TVXWSFFWYXVPLI-PIGZYNQJSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571162418 952743112 /nfs/dbraw/zinc/74/31/12/952743112.db2.gz TVXWSFFWYXVPLI-PIGZYNQJSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1n[nH]cc1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571162446 952743811 /nfs/dbraw/zinc/74/38/11/952743811.db2.gz UODACBDJWZJLPL-XYYAHUGASA-N -1 1 380.416 0.109 20 0 GCADMM Cc1n[nH]cc1C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571162446 952743816 /nfs/dbraw/zinc/74/38/16/952743816.db2.gz UODACBDJWZJLPL-XYYAHUGASA-N -1 1 380.416 0.109 20 0 GCADMM CCN(C(=O)c1cncnc1C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571162569 952744133 /nfs/dbraw/zinc/74/41/33/952744133.db2.gz VVSPBNXHMHGPFX-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1cncnc1C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571162569 952744136 /nfs/dbraw/zinc/74/41/36/952744136.db2.gz VVSPBNXHMHGPFX-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H](C)C2)cn1 ZINC001571162565 952744658 /nfs/dbraw/zinc/74/46/58/952744658.db2.gz VUCRPZGSXYFRRO-XPTSAGLGSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H](C)C2)cn1 ZINC001571162565 952744659 /nfs/dbraw/zinc/74/46/59/952744659.db2.gz VUCRPZGSXYFRRO-XPTSAGLGSA-N -1 1 380.416 0.636 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)c(C)n1 ZINC001571162688 952745450 /nfs/dbraw/zinc/74/54/50/952745450.db2.gz XWWIDJPTFUIIFH-RYUDHWBXSA-N -1 1 380.416 0.285 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)c(C)n1 ZINC001571162688 952745454 /nfs/dbraw/zinc/74/54/54/952745454.db2.gz XWWIDJPTFUIIFH-RYUDHWBXSA-N -1 1 380.416 0.285 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ncccn2)CC1 ZINC001571162640 952745528 /nfs/dbraw/zinc/74/55/28/952745528.db2.gz XBMPROXFPVEPNF-NSHDSACASA-N -1 1 380.416 0.221 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)nn1 ZINC001571162685 952745543 /nfs/dbraw/zinc/74/55/43/952745543.db2.gz XVIZMLBAFFRGBA-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)nn1 ZINC001571162685 952745546 /nfs/dbraw/zinc/74/55/46/952745546.db2.gz XVIZMLBAFFRGBA-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C2CC2)n1 ZINC001571165009 952746319 /nfs/dbraw/zinc/74/63/19/952746319.db2.gz AUUWRCKUIRGBBH-PHIMTYICSA-N -1 1 380.416 0.062 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)[nH]1 ZINC001571165119 952747719 /nfs/dbraw/zinc/74/77/19/952747719.db2.gz CGSFXUGQECUICT-MDZLAQPJSA-N -1 1 380.416 0.536 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571165119 952747721 /nfs/dbraw/zinc/74/77/21/952747721.db2.gz CGSFXUGQECUICT-MDZLAQPJSA-N -1 1 380.416 0.536 20 0 GCADMM Cn1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1C1CC1 ZINC001571165170 952748859 /nfs/dbraw/zinc/74/88/59/952748859.db2.gz DWOONIIQWSRAFK-LLVKDONJSA-N -1 1 380.416 0.594 20 0 GCADMM Cn1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1C1CC1 ZINC001571165170 952748862 /nfs/dbraw/zinc/74/88/62/952748862.db2.gz DWOONIIQWSRAFK-LLVKDONJSA-N -1 1 380.416 0.594 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001571165196 952748879 /nfs/dbraw/zinc/74/88/79/952748879.db2.gz FPYGVBHEFQSIRS-RYUDHWBXSA-N -1 1 380.416 0.269 20 0 GCADMM O=C(c1ncc2n1CCCC2)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165275 952749854 /nfs/dbraw/zinc/74/98/54/952749854.db2.gz AQKYGIQOPORXMN-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1ncc2n1CCCC2)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165275 952749859 /nfs/dbraw/zinc/74/98/59/952749859.db2.gz AQKYGIQOPORXMN-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1ncc2n1CCCC2)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571165440 952751190 /nfs/dbraw/zinc/75/11/90/952751190.db2.gz DDMHKDPLBTWDNJ-UHFFFAOYSA-N -1 1 380.416 0.152 20 0 GCADMM O=C(c1ncc2n1CCCC2)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571165440 952751193 /nfs/dbraw/zinc/75/11/93/952751193.db2.gz DDMHKDPLBTWDNJ-UHFFFAOYSA-N -1 1 380.416 0.152 20 0 GCADMM O=C(Cc1ncc[nH]1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571165495 952752010 /nfs/dbraw/zinc/75/20/10/952752010.db2.gz IEMYQYDYAPJZPL-TXEJJXNPSA-N -1 1 380.416 0.192 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1)c1cncnc1 ZINC001571165525 952752080 /nfs/dbraw/zinc/75/20/80/952752080.db2.gz IZBKEBHOQGJJAK-AULYBMBSSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1)c1cncnc1 ZINC001571165525 952752084 /nfs/dbraw/zinc/75/20/84/952752084.db2.gz IZBKEBHOQGJJAK-AULYBMBSSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165557 952752406 /nfs/dbraw/zinc/75/24/06/952752406.db2.gz DUWXAMPHUAZDQA-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165557 952752410 /nfs/dbraw/zinc/75/24/10/952752410.db2.gz DUWXAMPHUAZDQA-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(CCc1cnccn1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165806 952754340 /nfs/dbraw/zinc/75/43/40/952754340.db2.gz LHQAOSJRGXOEIP-LBPRGKRZSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(CCc1cnccn1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165806 952754351 /nfs/dbraw/zinc/75/43/51/952754351.db2.gz LHQAOSJRGXOEIP-LBPRGKRZSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571165819 952754674 /nfs/dbraw/zinc/75/46/74/952754674.db2.gz LOQVRPNUWAERLD-LLVKDONJSA-N -1 1 380.416 0.974 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571165819 952754677 /nfs/dbraw/zinc/75/46/77/952754677.db2.gz LOQVRPNUWAERLD-LLVKDONJSA-N -1 1 380.416 0.974 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571165763 952755273 /nfs/dbraw/zinc/75/52/73/952755273.db2.gz JXTPRQDYWTTYBO-NSHDSACASA-N -1 1 380.416 0.974 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571165763 952755277 /nfs/dbraw/zinc/75/52/77/952755277.db2.gz JXTPRQDYWTTYBO-NSHDSACASA-N -1 1 380.416 0.974 20 0 GCADMM Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571165844 952756523 /nfs/dbraw/zinc/75/65/23/952756523.db2.gz MGEKLJATTSULMK-TXEJJXNPSA-N -1 1 380.416 0.490 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166008 952757169 /nfs/dbraw/zinc/75/71/69/952757169.db2.gz MMCHQVYNYPUGNX-PWSUYJOCSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166008 952757170 /nfs/dbraw/zinc/75/71/70/952757170.db2.gz MMCHQVYNYPUGNX-PWSUYJOCSA-N -1 1 380.416 0.542 20 0 GCADMM CC1(NS(=O)(=O)c2cccnc2-c2nn[n-]n2)CCC2(CC1)OCCO2 ZINC001571165955 952757314 /nfs/dbraw/zinc/75/73/14/952757314.db2.gz JIHDDNBNVIQDQL-UHFFFAOYSA-N -1 1 380.430 0.616 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C2CCC2)c1 ZINC001571166098 952758161 /nfs/dbraw/zinc/75/81/61/952758161.db2.gz NNCBEFQMAFXCRO-LBPRGKRZSA-N -1 1 380.416 0.587 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C2CCC2)c1 ZINC001571166098 952758166 /nfs/dbraw/zinc/75/81/66/952758166.db2.gz NNCBEFQMAFXCRO-LBPRGKRZSA-N -1 1 380.416 0.587 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571166177 952758185 /nfs/dbraw/zinc/75/81/85/952758185.db2.gz PIYYTXKMUQGOON-JQWIXIFHSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571166177 952758189 /nfs/dbraw/zinc/75/81/89/952758189.db2.gz PIYYTXKMUQGOON-JQWIXIFHSA-N -1 1 380.416 0.718 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001571166147 952758407 /nfs/dbraw/zinc/75/84/07/952758407.db2.gz ORJFAYKZUDWCAO-LBPRGKRZSA-N -1 1 380.416 0.626 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001571166147 952758414 /nfs/dbraw/zinc/75/84/14/952758414.db2.gz ORJFAYKZUDWCAO-LBPRGKRZSA-N -1 1 380.416 0.626 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571166181 952758938 /nfs/dbraw/zinc/75/89/38/952758938.db2.gz PIYYTXKMUQGOON-ZYHUDNBSSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571166181 952758940 /nfs/dbraw/zinc/75/89/40/952758940.db2.gz PIYYTXKMUQGOON-ZYHUDNBSSA-N -1 1 380.416 0.718 20 0 GCADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166310 952759796 /nfs/dbraw/zinc/75/97/96/952759796.db2.gz QPHXEDCXDUITPZ-QJPTWQEYSA-N -1 1 380.416 0.207 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c(C)n1 ZINC001571166305 952759893 /nfs/dbraw/zinc/75/98/93/952759893.db2.gz QOAAFLYHNYKJHW-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c(C)n1 ZINC001571166305 952759894 /nfs/dbraw/zinc/75/98/94/952759894.db2.gz QOAAFLYHNYKJHW-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM COC(=O)C1(CS(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001571166261 952760020 /nfs/dbraw/zinc/76/00/20/952760020.db2.gz KUQPLMLRUHOSCK-UHFFFAOYSA-N -1 1 380.430 0.415 20 0 GCADMM COC(=O)C1(CS(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001571166261 952760022 /nfs/dbraw/zinc/76/00/22/952760022.db2.gz KUQPLMLRUHOSCK-UHFFFAOYSA-N -1 1 380.430 0.415 20 0 GCADMM O=C(c1cnn2c1CCC2)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571166371 952760455 /nfs/dbraw/zinc/76/04/55/952760455.db2.gz LWPZXTRDMHAYBG-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cnn2c1CCC2)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571166371 952760458 /nfs/dbraw/zinc/76/04/58/952760458.db2.gz LWPZXTRDMHAYBG-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571166472 952761889 /nfs/dbraw/zinc/76/18/89/952761889.db2.gz SFAVLDHCXIYTOF-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571166472 952761892 /nfs/dbraw/zinc/76/18/92/952761892.db2.gz SFAVLDHCXIYTOF-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571166436 952762274 /nfs/dbraw/zinc/76/22/74/952762274.db2.gz ROJUGFUZTGXADS-LBPRGKRZSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571166436 952762278 /nfs/dbraw/zinc/76/22/78/952762278.db2.gz ROJUGFUZTGXADS-LBPRGKRZSA-N -1 1 380.416 0.179 20 0 GCADMM O=C(CCc1ccncn1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571166543 952762705 /nfs/dbraw/zinc/76/27/05/952762705.db2.gz SXKYGDSMIGUTBW-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1ccncn1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571166543 952762710 /nfs/dbraw/zinc/76/27/10/952762710.db2.gz SXKYGDSMIGUTBW-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)cn1 ZINC001571166757 952764428 /nfs/dbraw/zinc/76/44/28/952764428.db2.gz VKGPEFSDHDAFIP-LBPRGKRZSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1cc(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)cn1 ZINC001571166757 952764433 /nfs/dbraw/zinc/76/44/33/952764433.db2.gz VKGPEFSDHDAFIP-LBPRGKRZSA-N -1 1 380.416 0.179 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H](C)C2)cn1 ZINC001571166968 952767933 /nfs/dbraw/zinc/76/79/33/952767933.db2.gz ZQNOEPLAMXNXGK-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H](C)C2)cn1 ZINC001571166968 952767939 /nfs/dbraw/zinc/76/79/39/952767939.db2.gz ZQNOEPLAMXNXGK-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166943 952768098 /nfs/dbraw/zinc/76/80/98/952768098.db2.gz YXHKPYVUYCRSEB-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166943 952768100 /nfs/dbraw/zinc/76/81/00/952768100.db2.gz YXHKPYVUYCRSEB-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571167049 952769234 /nfs/dbraw/zinc/76/92/34/952769234.db2.gz UHJIGEHZBLJDQG-SNVBAGLBSA-N -1 1 380.416 0.585 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571167049 952769239 /nfs/dbraw/zinc/76/92/39/952769239.db2.gz UHJIGEHZBLJDQG-SNVBAGLBSA-N -1 1 380.416 0.585 20 0 GCADMM COC[C@]1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC001571167156 952770594 /nfs/dbraw/zinc/77/05/94/952770594.db2.gz WQOBWHQXKNOZII-OAHLLOKOSA-N -1 1 380.430 0.160 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571167100 952770682 /nfs/dbraw/zinc/77/06/82/952770682.db2.gz VROXXBREPSZENV-SNVBAGLBSA-N -1 1 380.416 0.585 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571167100 952770686 /nfs/dbraw/zinc/77/06/86/952770686.db2.gz VROXXBREPSZENV-SNVBAGLBSA-N -1 1 380.416 0.585 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)n1 ZINC001571169822 952779357 /nfs/dbraw/zinc/77/93/57/952779357.db2.gz OQIKIBARTYZNSK-VWLPUNTISA-N -1 1 380.456 0.810 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)n1 ZINC001571169822 952779362 /nfs/dbraw/zinc/77/93/62/952779362.db2.gz OQIKIBARTYZNSK-VWLPUNTISA-N -1 1 380.456 0.810 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571169949 952780298 /nfs/dbraw/zinc/78/02/98/952780298.db2.gz AHGMSVLSBHJNFB-JQWIXIFHSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571169949 952780302 /nfs/dbraw/zinc/78/03/02/952780302.db2.gz AHGMSVLSBHJNFB-JQWIXIFHSA-N -1 1 381.400 0.720 20 0 GCADMM CN(C(=O)c1ccc(=O)n(C)c1)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571170206 952784990 /nfs/dbraw/zinc/78/49/90/952784990.db2.gz GCGMRXQUETWWKR-UHFFFAOYSA-N -1 1 381.400 0.071 20 0 GCADMM CN(C(=O)c1ccc(=O)n(C)c1)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571170206 952784994 /nfs/dbraw/zinc/78/49/94/952784994.db2.gz GCGMRXQUETWWKR-UHFFFAOYSA-N -1 1 381.400 0.071 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc(=O)[nH]1 ZINC001571170376 952785166 /nfs/dbraw/zinc/78/51/66/952785166.db2.gz HXGKEVOELKVOII-TXEJJXNPSA-N -1 1 381.400 0.693 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc(=O)[nH]1 ZINC001571170376 952785169 /nfs/dbraw/zinc/78/51/69/952785169.db2.gz HXGKEVOELKVOII-TXEJJXNPSA-N -1 1 381.400 0.693 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571170740 952787825 /nfs/dbraw/zinc/78/78/25/952787825.db2.gz LDFAXJKKOJLZPZ-QWRGUYRKSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571170740 952787829 /nfs/dbraw/zinc/78/78/29/952787829.db2.gz LDFAXJKKOJLZPZ-QWRGUYRKSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170688 952788133 /nfs/dbraw/zinc/78/81/33/952788133.db2.gz KPANIXCODDWQGM-QWRGUYRKSA-N -1 1 381.400 0.863 20 0 GCADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170691 952788317 /nfs/dbraw/zinc/78/83/17/952788317.db2.gz KPANIXCODDWQGM-WDEREUQCSA-N -1 1 381.400 0.863 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170685 952788348 /nfs/dbraw/zinc/78/83/48/952788348.db2.gz KPANIXCODDWQGM-GHMZBOCLSA-N -1 1 381.400 0.863 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571170738 952788574 /nfs/dbraw/zinc/78/85/74/952788574.db2.gz LDFAXJKKOJLZPZ-MNOVXSKESA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571170738 952788580 /nfs/dbraw/zinc/78/85/80/952788580.db2.gz LDFAXJKKOJLZPZ-MNOVXSKESA-N -1 1 381.400 0.720 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571170832 952789329 /nfs/dbraw/zinc/78/93/29/952789329.db2.gz MFOWGLIOSLOBER-CMPLNLGQSA-N -1 1 381.400 0.558 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571170832 952789332 /nfs/dbraw/zinc/78/93/32/952789332.db2.gz MFOWGLIOSLOBER-CMPLNLGQSA-N -1 1 381.400 0.558 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001571171077 952790273 /nfs/dbraw/zinc/79/02/73/952790273.db2.gz NLPCEQOFMXVDDL-LLVKDONJSA-N -1 1 381.400 0.402 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001571171077 952790274 /nfs/dbraw/zinc/79/02/74/952790274.db2.gz NLPCEQOFMXVDDL-LLVKDONJSA-N -1 1 381.400 0.402 20 0 GCADMM CN(C(=O)c1cccc(=O)[nH]1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571171395 952792359 /nfs/dbraw/zinc/79/23/59/952792359.db2.gz SGTLOJCJESHTCT-UHFFFAOYSA-N -1 1 381.400 0.498 20 0 GCADMM CN(C(=O)c1cccc(=O)[nH]1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571171395 952792363 /nfs/dbraw/zinc/79/23/63/952792363.db2.gz SGTLOJCJESHTCT-UHFFFAOYSA-N -1 1 381.400 0.498 20 0 GCADMM CCN(C(=O)c1cccc(=O)[nH]1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571171296 952793042 /nfs/dbraw/zinc/79/30/42/952793042.db2.gz QRPUFPNSJMMGNZ-LLVKDONJSA-N -1 1 381.400 0.498 20 0 GCADMM O=C(c1ccc(F)cn1)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571171432 952793110 /nfs/dbraw/zinc/79/31/10/952793110.db2.gz SPCFQGHBZPBAKQ-IINYFYTJSA-N -1 1 381.375 0.542 20 0 GCADMM O=C(c1ccc(F)cn1)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571171432 952793112 /nfs/dbraw/zinc/79/31/12/952793112.db2.gz SPCFQGHBZPBAKQ-IINYFYTJSA-N -1 1 381.375 0.542 20 0 GCADMM CC1(C)CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cnc(-c2nn[nH]n2)cn1 ZINC001571171597 952794895 /nfs/dbraw/zinc/79/48/95/952794895.db2.gz SWCSEZMXVHVINJ-LBPRGKRZSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171656 952796227 /nfs/dbraw/zinc/79/62/27/952796227.db2.gz VBUOZBKWHBFANW-QWRGUYRKSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571171656 952796232 /nfs/dbraw/zinc/79/62/32/952796232.db2.gz VBUOZBKWHBFANW-QWRGUYRKSA-N -1 1 381.400 0.720 20 0 GCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001571171854 952798572 /nfs/dbraw/zinc/79/85/72/952798572.db2.gz YIXGGCIRGSOEGG-LBPRGKRZSA-N -1 1 381.371 0.865 20 0 GCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001571171854 952798575 /nfs/dbraw/zinc/79/85/75/952798575.db2.gz YIXGGCIRGSOEGG-LBPRGKRZSA-N -1 1 381.371 0.865 20 0 GCADMM O=C(N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O)c1cc[nH]c1 ZINC001571172266 952804322 /nfs/dbraw/zinc/80/43/22/952804322.db2.gz RHYPAIFTKAKKIP-HTQZYQBOSA-N -1 1 380.821 0.284 20 0 GCADMM O=C(N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O)c1cc[nH]c1 ZINC001571172266 952804326 /nfs/dbraw/zinc/80/43/26/952804326.db2.gz RHYPAIFTKAKKIP-HTQZYQBOSA-N -1 1 380.821 0.284 20 0 GCADMM C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571172821 952808339 /nfs/dbraw/zinc/80/83/39/952808339.db2.gz YJLMPAAPTFAAFO-RITPCOANSA-N -1 1 380.825 0.667 20 0 GCADMM C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571172821 952808344 /nfs/dbraw/zinc/80/83/44/952808344.db2.gz YJLMPAAPTFAAFO-RITPCOANSA-N -1 1 380.825 0.667 20 0 GCADMM COc1cccnc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571174609 952811364 /nfs/dbraw/zinc/81/13/64/952811364.db2.gz BUOAKCYBLPETFF-XYPYZODXSA-N -1 1 381.400 0.681 20 0 GCADMM COc1cccnc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571174609 952811373 /nfs/dbraw/zinc/81/13/73/952811373.db2.gz BUOAKCYBLPETFF-XYPYZODXSA-N -1 1 381.400 0.681 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001571174720 952812777 /nfs/dbraw/zinc/81/27/77/952812777.db2.gz GEVUESFUAFDUEP-BXKDBHETSA-N -1 1 381.400 0.777 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1ncoc1C1CC1 ZINC001571174720 952812783 /nfs/dbraw/zinc/81/27/83/952812783.db2.gz GEVUESFUAFDUEP-BXKDBHETSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571174817 952813612 /nfs/dbraw/zinc/81/36/12/952813612.db2.gz JAKNBFIRBISZSQ-NSHDSACASA-N -1 1 381.400 0.635 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571174817 952813622 /nfs/dbraw/zinc/81/36/22/952813622.db2.gz JAKNBFIRBISZSQ-NSHDSACASA-N -1 1 381.400 0.635 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571174815 952813763 /nfs/dbraw/zinc/81/37/63/952813763.db2.gz IYRGYXYCNORDQY-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571174815 952813769 /nfs/dbraw/zinc/81/37/69/952813769.db2.gz IYRGYXYCNORDQY-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571174772 952813965 /nfs/dbraw/zinc/81/39/65/952813965.db2.gz HVNYGVQLKLJACA-LBPRGKRZSA-N -1 1 381.400 0.498 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571174772 952813969 /nfs/dbraw/zinc/81/39/69/952813969.db2.gz HVNYGVQLKLJACA-LBPRGKRZSA-N -1 1 381.400 0.498 20 0 GCADMM COc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571174781 952814071 /nfs/dbraw/zinc/81/40/71/952814071.db2.gz IAVNGFAIVZMEIR-LLVKDONJSA-N -1 1 381.400 0.377 20 0 GCADMM COc1ccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571174823 952815897 /nfs/dbraw/zinc/81/58/97/952815897.db2.gz JHIYLWMNOHHSLE-QGZVFWFLSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571174823 952815902 /nfs/dbraw/zinc/81/59/02/952815902.db2.gz JHIYLWMNOHHSLE-QGZVFWFLSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571174948 952816616 /nfs/dbraw/zinc/81/66/16/952816616.db2.gz NUIYOXRWRIVYTR-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571174948 952816622 /nfs/dbraw/zinc/81/66/22/952816622.db2.gz NUIYOXRWRIVYTR-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)no1 ZINC001571175115 952818397 /nfs/dbraw/zinc/81/83/97/952818397.db2.gz PSTLFANDSLTUBK-OLZOCXBDSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)no1 ZINC001571175115 952818401 /nfs/dbraw/zinc/81/84/01/952818401.db2.gz PSTLFANDSLTUBK-OLZOCXBDSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cc(C2(C(=O)N3CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)CC2)on1 ZINC001571175254 952818746 /nfs/dbraw/zinc/81/87/46/952818746.db2.gz QZYIMAXIRUWHOL-UHFFFAOYSA-N -1 1 381.400 0.334 20 0 GCADMM Cc1cc(C2(C(=O)N3CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)CC2)on1 ZINC001571175254 952818748 /nfs/dbraw/zinc/81/87/48/952818748.db2.gz QZYIMAXIRUWHOL-UHFFFAOYSA-N -1 1 381.400 0.334 20 0 GCADMM O=C(Cc1ccon1)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571175305 952819065 /nfs/dbraw/zinc/81/90/65/952819065.db2.gz ALEBRJAWMDWZLJ-YHWZYXNKSA-N -1 1 381.400 0.503 20 0 GCADMM Cc1nocc1C(=O)N1[C@@H]2CC[C@H]1CN(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001571175339 952820390 /nfs/dbraw/zinc/82/03/90/952820390.db2.gz TVGQTGMEQWHLRF-TXEJJXNPSA-N -1 1 381.400 0.755 20 0 GCADMM Cc1nocc1C(=O)N1[C@@H]2CC[C@H]1CN(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001571175339 952820393 /nfs/dbraw/zinc/82/03/93/952820393.db2.gz TVGQTGMEQWHLRF-TXEJJXNPSA-N -1 1 381.400 0.755 20 0 GCADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(=O)[nH]1 ZINC001571175397 952820739 /nfs/dbraw/zinc/82/07/39/952820739.db2.gz BZVHYXIYJGKRDA-MNOVXSKESA-N -1 1 381.400 0.190 20 0 GCADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(=O)[nH]1 ZINC001571175401 952821196 /nfs/dbraw/zinc/82/11/96/952821196.db2.gz BZVHYXIYJGKRDA-WDEREUQCSA-N -1 1 381.400 0.190 20 0 GCADMM Cc1nocc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571175426 952821894 /nfs/dbraw/zinc/82/18/94/952821894.db2.gz CJPVJBCPHUTKTG-SRVKXCTJSA-N -1 1 381.400 0.740 20 0 GCADMM Cc1nocc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571175426 952821899 /nfs/dbraw/zinc/82/18/99/952821899.db2.gz CJPVJBCPHUTKTG-SRVKXCTJSA-N -1 1 381.400 0.740 20 0 GCADMM Cc1cc(=O)c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571175600 952823189 /nfs/dbraw/zinc/82/31/89/952823189.db2.gz WROPNPIKVKLCIP-XYPYZODXSA-N -1 1 381.400 0.274 20 0 GCADMM Cc1cc(=O)c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571175600 952823197 /nfs/dbraw/zinc/82/31/97/952823197.db2.gz WROPNPIKVKLCIP-XYPYZODXSA-N -1 1 381.400 0.274 20 0 GCADMM COc1cccnc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571175641 952823370 /nfs/dbraw/zinc/82/33/70/952823370.db2.gz YBURXBGXWGBCKP-GHMZBOCLSA-N -1 1 381.400 0.315 20 0 GCADMM Cc1ocnc1C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571175651 952823393 /nfs/dbraw/zinc/82/33/93/952823393.db2.gz DECYPTKVEUXACK-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1ocnc1C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571175651 952823396 /nfs/dbraw/zinc/82/33/96/952823396.db2.gz DECYPTKVEUXACK-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM COc1ccnc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571175646 952824119 /nfs/dbraw/zinc/82/41/19/952824119.db2.gz YHEFHMQTZSCUGX-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM COc1ccnc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571175646 952824127 /nfs/dbraw/zinc/82/41/27/952824127.db2.gz YHEFHMQTZSCUGX-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM Cc1conc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571175716 952825466 /nfs/dbraw/zinc/82/54/66/952825466.db2.gz FWQRCCVMEWAOQU-DIFFPNOSSA-N -1 1 381.400 0.552 20 0 GCADMM O=C(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1conc1C1CC1 ZINC001571176168 952828993 /nfs/dbraw/zinc/82/89/93/952828993.db2.gz NCNPGFUQEUNMGR-UHFFFAOYSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1conc1C1CC1 ZINC001571176168 952828994 /nfs/dbraw/zinc/82/89/94/952828994.db2.gz NCNPGFUQEUNMGR-UHFFFAOYSA-N -1 1 381.400 0.921 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571176172 952829048 /nfs/dbraw/zinc/82/90/48/952829048.db2.gz NKKDJWNPDOKFKM-YPMHNXCESA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571176172 952829051 /nfs/dbraw/zinc/82/90/51/952829051.db2.gz NKKDJWNPDOKFKM-YPMHNXCESA-N -1 1 381.400 0.694 20 0 GCADMM O=C(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ncoc1C1CC1 ZINC001571176373 952830546 /nfs/dbraw/zinc/83/05/46/952830546.db2.gz QRTOWYJWIQMBBO-UHFFFAOYSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ncoc1C1CC1 ZINC001571176373 952830552 /nfs/dbraw/zinc/83/05/52/952830552.db2.gz QRTOWYJWIQMBBO-UHFFFAOYSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(COc1cccnc1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571176503 952831961 /nfs/dbraw/zinc/83/19/61/952831961.db2.gz SAXZJQZHKCMVHW-LBPRGKRZSA-N -1 1 381.400 0.534 20 0 GCADMM O=C(COc1cccnc1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571176503 952831969 /nfs/dbraw/zinc/83/19/69/952831969.db2.gz SAXZJQZHKCMVHW-LBPRGKRZSA-N -1 1 381.400 0.534 20 0 GCADMM O=C(Cc1ccon1)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571176402 952832130 /nfs/dbraw/zinc/83/21/30/952832130.db2.gz RCWSTABHWNUHGT-STQMWFEESA-N -1 1 381.400 0.727 20 0 GCADMM O=C(Cc1ccon1)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571176402 952832133 /nfs/dbraw/zinc/83/21/33/952832133.db2.gz RCWSTABHWNUHGT-STQMWFEESA-N -1 1 381.400 0.727 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571176604 952832974 /nfs/dbraw/zinc/83/29/74/952832974.db2.gz VRZHKDZTMGITES-STQMWFEESA-N -1 1 381.400 0.837 20 0 GCADMM Cc1cnoc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571176604 952832977 /nfs/dbraw/zinc/83/29/77/952832977.db2.gz VRZHKDZTMGITES-STQMWFEESA-N -1 1 381.400 0.837 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cc(C2CC2)on1 ZINC001571176537 952833028 /nfs/dbraw/zinc/83/30/28/952833028.db2.gz TXAXREBSRQBCAW-HOMQSWHASA-N -1 1 381.400 0.565 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(C2CC2)no1 ZINC001571176834 952834702 /nfs/dbraw/zinc/83/47/02/952834702.db2.gz YNGDGJBDPVUGKG-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(C2CC2)no1 ZINC001571176834 952834710 /nfs/dbraw/zinc/83/47/10/952834710.db2.gz YNGDGJBDPVUGKG-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccc(=O)[nH]c1 ZINC001571176824 952834756 /nfs/dbraw/zinc/83/47/56/952834756.db2.gz YIPHIJQIIFWTNT-HAQNSBGRSA-N -1 1 381.400 0.332 20 0 GCADMM Cc1noc(C2CC2)c1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571176792 952834876 /nfs/dbraw/zinc/83/48/76/952834876.db2.gz XVHIZGPJESMCHZ-LLVKDONJSA-N -1 1 381.400 0.839 20 0 GCADMM Cc1noc(C2CC2)c1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571176792 952834881 /nfs/dbraw/zinc/83/48/81/952834881.db2.gz XVHIZGPJESMCHZ-LLVKDONJSA-N -1 1 381.400 0.839 20 0 GCADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccc(=O)[nH]c1 ZINC001571176808 952835127 /nfs/dbraw/zinc/83/51/27/952835127.db2.gz XZXTZXBISAHTOZ-UHFFFAOYSA-N -1 1 381.400 0.404 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571178296 952838864 /nfs/dbraw/zinc/83/88/64/952838864.db2.gz FNEJEQPYVKNKPX-GFCCVEGCSA-N -1 1 381.400 0.864 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571178296 952838867 /nfs/dbraw/zinc/83/88/67/952838867.db2.gz FNEJEQPYVKNKPX-GFCCVEGCSA-N -1 1 381.400 0.864 20 0 GCADMM O=C(c1conc1C1CC1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178576 952842956 /nfs/dbraw/zinc/84/29/56/952842956.db2.gz NNFLNGVGVDDWQU-NSHDSACASA-N -1 1 381.400 0.661 20 0 GCADMM O=C(c1cc(C2CC2)no1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571178635 952844367 /nfs/dbraw/zinc/84/43/67/952844367.db2.gz PFGLDYMFGRZRFL-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1cc(C2CC2)no1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571178635 952844372 /nfs/dbraw/zinc/84/43/72/952844372.db2.gz PFGLDYMFGRZRFL-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1ocnc1C1CC1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178616 952844496 /nfs/dbraw/zinc/84/44/96/952844496.db2.gz OWIUMRXHXXYESP-LLVKDONJSA-N -1 1 381.400 0.661 20 0 GCADMM O=C(c1ccon1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571178670 952844973 /nfs/dbraw/zinc/84/49/73/952844973.db2.gz QRMVIMREEMIDSS-AAEUAGOBSA-N -1 1 381.400 0.776 20 0 GCADMM CC(C)Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571181909 952866350 /nfs/dbraw/zinc/86/63/50/952866350.db2.gz ZRXGEGJKLCZPBH-BETUJISGSA-N -1 1 381.444 0.978 20 0 GCADMM CCc1c(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)ccn1C ZINC001571183746 952882255 /nfs/dbraw/zinc/88/22/55/952882255.db2.gz IOFOYKMGUOMSKD-NWDGAFQWSA-N -1 1 381.444 0.695 20 0 GCADMM CCc1c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)ccn1C ZINC001571184297 952890200 /nfs/dbraw/zinc/89/02/00/952890200.db2.gz VRPANAHFOVYIRQ-LBPRGKRZSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)ccn1C ZINC001571184297 952890204 /nfs/dbraw/zinc/89/02/04/952890204.db2.gz VRPANAHFOVYIRQ-LBPRGKRZSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(=O)c3cccn3C)C2)n1 ZINC001571184315 952890591 /nfs/dbraw/zinc/89/05/91/952890591.db2.gz WCGPFOOZYIFWRA-SFHVURJKSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(=O)c3cccn3C)C2)n1 ZINC001571184315 952890594 /nfs/dbraw/zinc/89/05/94/952890594.db2.gz WCGPFOOZYIFWRA-SFHVURJKSA-N -1 1 381.444 0.956 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)c3ccn(C)c3)[C@H](C)C2)n1 ZINC001571184841 952899205 /nfs/dbraw/zinc/89/92/05/952899205.db2.gz FCMXDZABMFDYGX-BXUZGUMPSA-N -1 1 381.444 0.806 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)c3ccn(C)c3)[C@H](C)C2)n1 ZINC001571184841 952899216 /nfs/dbraw/zinc/89/92/16/952899216.db2.gz FCMXDZABMFDYGX-BXUZGUMPSA-N -1 1 381.444 0.806 20 0 GCADMM Cc1c(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571185111 952900164 /nfs/dbraw/zinc/90/01/64/952900164.db2.gz INLDESDPSPIITN-ZDUSSCGKSA-N -1 1 381.444 0.868 20 0 GCADMM Cc1c(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571185111 952900167 /nfs/dbraw/zinc/90/01/67/952900167.db2.gz INLDESDPSPIITN-ZDUSSCGKSA-N -1 1 381.444 0.868 20 0 GCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@H]1CCc2nnnn2CC1 ZINC001571191696 952946588 /nfs/dbraw/zinc/94/65/88/952946588.db2.gz QTAGAAXNYUMBDX-YFKPBYRVSA-N -1 1 381.813 0.490 20 0 GCADMM Cc1n[nH]c(=O)c(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571193790 952953129 /nfs/dbraw/zinc/95/31/29/952953129.db2.gz CIUZZEHMFVQVEP-JTQLQIEISA-N -1 1 382.388 0.096 20 0 GCADMM Cc1n[nH]c(=O)c(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571193790 952953135 /nfs/dbraw/zinc/95/31/35/952953135.db2.gz CIUZZEHMFVQVEP-JTQLQIEISA-N -1 1 382.388 0.096 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)cc(-c2nn[n-]n2)n1 ZINC001571193833 952953468 /nfs/dbraw/zinc/95/34/68/952953468.db2.gz DVEIWPYNYXDDAZ-SECBINFHSA-N -1 1 382.388 0.041 20 0 GCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NCc1ccnc(C(F)(F)F)c1 ZINC001571193999 952955699 /nfs/dbraw/zinc/95/56/99/952955699.db2.gz DKNLXAOCRVYMGJ-UHFFFAOYSA-N -1 1 382.310 0.371 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001571194153 952958253 /nfs/dbraw/zinc/95/82/53/952958253.db2.gz JFUMHYUPVVDUAY-UHFFFAOYSA-N -1 1 382.388 0.259 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001571194153 952958259 /nfs/dbraw/zinc/95/82/59/952958259.db2.gz JFUMHYUPVVDUAY-UHFFFAOYSA-N -1 1 382.388 0.259 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC3(CC(NC(=O)c4cnon4)C3)C2)n1 ZINC001571194306 952960823 /nfs/dbraw/zinc/96/08/23/952960823.db2.gz LOLZILIWUBRVOG-UHFFFAOYSA-N -1 1 382.388 0.501 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC3(CC(NC(=O)c4cnon4)C3)C2)n1 ZINC001571194306 952960826 /nfs/dbraw/zinc/96/08/26/952960826.db2.gz LOLZILIWUBRVOG-UHFFFAOYSA-N -1 1 382.388 0.501 20 0 GCADMM COc1nccc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571194277 952961149 /nfs/dbraw/zinc/96/11/49/952961149.db2.gz KZRSHBDXJPTWIZ-AOOOYVTPSA-N -1 1 382.388 0.076 20 0 GCADMM COc1nccc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571194277 952961155 /nfs/dbraw/zinc/96/11/55/952961155.db2.gz KZRSHBDXJPTWIZ-AOOOYVTPSA-N -1 1 382.388 0.076 20 0 GCADMM COc1ccc([C@H]2[C@H](C(=O)Nc3n[nH]cc3-c3nnn[n-]3)CC(=O)N2C)cc1 ZINC001571194416 952961484 /nfs/dbraw/zinc/96/14/84/952961484.db2.gz LVAHVPSVXDKQEY-RISCZKNCSA-N -1 1 382.384 0.757 20 0 GCADMM COc1ccc([C@H]2[C@H](C(=O)Nc3n[nH]cc3-c3nn[n-]n3)CC(=O)N2C)cc1 ZINC001571194416 952961493 /nfs/dbraw/zinc/96/14/93/952961493.db2.gz LVAHVPSVXDKQEY-RISCZKNCSA-N -1 1 382.384 0.757 20 0 GCADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H](c1cccnc1)C1CC1 ZINC001571194645 952965488 /nfs/dbraw/zinc/96/54/88/952965488.db2.gz PKNDCSLTIMNORZ-CQSZACIVSA-N -1 1 382.384 0.182 20 0 GCADMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571194632 952965892 /nfs/dbraw/zinc/96/58/92/952965892.db2.gz PFMQMNIFBHCJRK-MRXNPFEDSA-N -1 1 382.388 0.117 20 0 GCADMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571194632 952965894 /nfs/dbraw/zinc/96/58/94/952965894.db2.gz PFMQMNIFBHCJRK-MRXNPFEDSA-N -1 1 382.388 0.117 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571194593 952966204 /nfs/dbraw/zinc/96/62/04/952966204.db2.gz PQJRUMMOPSQFHC-JTQLQIEISA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571194593 952966208 /nfs/dbraw/zinc/96/62/08/952966208.db2.gz PQJRUMMOPSQFHC-JTQLQIEISA-N -1 1 382.388 0.172 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571194801 952968017 /nfs/dbraw/zinc/96/80/17/952968017.db2.gz TZXWEETYANVYRJ-SCZZXKLOSA-N -1 1 382.388 0.176 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571194801 952968019 /nfs/dbraw/zinc/96/80/19/952968019.db2.gz TZXWEETYANVYRJ-SCZZXKLOSA-N -1 1 382.388 0.176 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571194802 952968701 /nfs/dbraw/zinc/96/87/01/952968701.db2.gz TZXWEETYANVYRJ-WCBMZHEXSA-N -1 1 382.388 0.176 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571194802 952968706 /nfs/dbraw/zinc/96/87/06/952968706.db2.gz TZXWEETYANVYRJ-WCBMZHEXSA-N -1 1 382.388 0.176 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CO)c1ccccc1C(F)(F)F ZINC001571194886 952969488 /nfs/dbraw/zinc/96/94/88/952969488.db2.gz UZDUWQKFKFFZLW-SNVBAGLBSA-N -1 1 382.306 0.327 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CN1C(=O)c1ncccc1[O-] ZINC001571194859 952969536 /nfs/dbraw/zinc/96/95/36/952969536.db2.gz TVVFAGWDAKEWTR-VHSXEESVSA-N -1 1 382.384 0.328 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571194935 952971214 /nfs/dbraw/zinc/97/12/14/952971214.db2.gz UURYWCXDLRDAAI-MGCOHNPYSA-N -1 1 382.388 0.088 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571194935 952971217 /nfs/dbraw/zinc/97/12/17/952971217.db2.gz UURYWCXDLRDAAI-MGCOHNPYSA-N -1 1 382.388 0.088 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001571199468 953000860 /nfs/dbraw/zinc/00/08/60/953000860.db2.gz SCJDGUCENPJALZ-JYXMKJBCSA-N -1 1 382.428 0.117 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001571199468 953000863 /nfs/dbraw/zinc/00/08/63/953000863.db2.gz SCJDGUCENPJALZ-JYXMKJBCSA-N -1 1 382.428 0.117 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2ccco2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571199919 953005498 /nfs/dbraw/zinc/00/54/98/953005498.db2.gz CRMQOGNLFBNNDP-TZMCWYRMSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cccn2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571204565 953029970 /nfs/dbraw/zinc/02/99/70/953029970.db2.gz BFRZELRMZGBOEQ-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cccn2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571204565 953029974 /nfs/dbraw/zinc/02/99/74/953029974.db2.gz BFRZELRMZGBOEQ-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001571204595 953030128 /nfs/dbraw/zinc/03/01/28/953030128.db2.gz BKZWZHZKXWZTBE-OLZOCXBDSA-N -1 1 382.432 0.187 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnn(C)c2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571204545 953030342 /nfs/dbraw/zinc/03/03/42/953030342.db2.gz ASPUCLWWAAFWDD-NEPJUHHUSA-N -1 1 382.432 0.022 20 0 GCADMM CC(C)Cn1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571204668 953031695 /nfs/dbraw/zinc/03/16/95/953031695.db2.gz BJBYETJDUBWABF-JOCQHMNTSA-N -1 1 382.432 0.882 20 0 GCADMM CC(C)Cn1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571204668 953031697 /nfs/dbraw/zinc/03/16/97/953031697.db2.gz BJBYETJDUBWABF-JOCQHMNTSA-N -1 1 382.432 0.882 20 0 GCADMM CCN(C(=O)c1cn(C)nc1C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571204845 953032827 /nfs/dbraw/zinc/03/28/27/953032827.db2.gz CVSNKZZQLZEROG-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM CCN(C(=O)c1cn(C)nc1C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571204845 953032830 /nfs/dbraw/zinc/03/28/30/953032830.db2.gz CVSNKZZQLZEROG-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001571204895 953033229 /nfs/dbraw/zinc/03/32/29/953033229.db2.gz FIAOQLHOJSLDNC-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001571204895 953033231 /nfs/dbraw/zinc/03/32/31/953033231.db2.gz FIAOQLHOJSLDNC-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM CCCn1nccc1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571204878 953033416 /nfs/dbraw/zinc/03/34/16/953033416.db2.gz DOXHZUVDQUMHMH-UHFFFAOYSA-N -1 1 382.432 0.980 20 0 GCADMM CCCn1nccc1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571204878 953033423 /nfs/dbraw/zinc/03/34/23/953033423.db2.gz DOXHZUVDQUMHMH-UHFFFAOYSA-N -1 1 382.432 0.980 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccn(C)n1 ZINC001571204914 953033560 /nfs/dbraw/zinc/03/35/60/953033560.db2.gz FRGHCKXWINAYQH-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001571204914 953033565 /nfs/dbraw/zinc/03/35/65/953033565.db2.gz FRGHCKXWINAYQH-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571204863 953034190 /nfs/dbraw/zinc/03/41/90/953034190.db2.gz DGJDAPRBKUDVLR-GFCCVEGCSA-N -1 1 382.432 0.837 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571204863 953034192 /nfs/dbraw/zinc/03/41/92/953034192.db2.gz DGJDAPRBKUDVLR-GFCCVEGCSA-N -1 1 382.432 0.837 20 0 GCADMM CCCc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)[nH]n1 ZINC001571205135 953036536 /nfs/dbraw/zinc/03/65/36/953036536.db2.gz FZQNMQMJRZKSON-HZMBPMFUSA-N -1 1 382.432 0.905 20 0 GCADMM O=C(N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)[C@]12C[C@H]1COC2 ZINC001571205381 953038135 /nfs/dbraw/zinc/03/81/35/953038135.db2.gz INYXKFAGMGBOHD-NASWQRNTSA-N -1 1 382.428 0.263 20 0 GCADMM O=C(N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)[C@]12C[C@H]1COC2 ZINC001571205381 953038138 /nfs/dbraw/zinc/03/81/38/953038138.db2.gz INYXKFAGMGBOHD-NASWQRNTSA-N -1 1 382.428 0.263 20 0 GCADMM CCc1cc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n(C)n1 ZINC001571205480 953039033 /nfs/dbraw/zinc/03/90/33/953039033.db2.gz JRAUFKQWDUWGEV-LBPRGKRZSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1cc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001571205480 953039035 /nfs/dbraw/zinc/03/90/35/953039035.db2.gz JRAUFKQWDUWGEV-LBPRGKRZSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571205485 953039209 /nfs/dbraw/zinc/03/92/09/953039209.db2.gz JYDJWDUXGJYWNO-GHMZBOCLSA-N -1 1 382.432 0.184 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)n1 ZINC001571205484 953039368 /nfs/dbraw/zinc/03/93/68/953039368.db2.gz JWDPWPKNCCLHMW-ZYHUDNBSSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)n1 ZINC001571205484 953039373 /nfs/dbraw/zinc/03/93/73/953039373.db2.gz JWDPWPKNCCLHMW-ZYHUDNBSSA-N -1 1 382.432 0.897 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571205462 953039497 /nfs/dbraw/zinc/03/94/97/953039497.db2.gz JLQSLVSRKHIQPS-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1nn(C)cc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205686 953040896 /nfs/dbraw/zinc/04/08/96/953040896.db2.gz MXWXRMUBBYNGNA-PHIMTYICSA-N -1 1 382.432 0.573 20 0 GCADMM CCc1nn(C)cc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205686 953040901 /nfs/dbraw/zinc/04/09/01/953040901.db2.gz MXWXRMUBBYNGNA-PHIMTYICSA-N -1 1 382.432 0.573 20 0 GCADMM CCn1nccc1C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571205741 953041215 /nfs/dbraw/zinc/04/12/15/953041215.db2.gz ABZNHCHIOORPAA-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1nccc1C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571205741 953041219 /nfs/dbraw/zinc/04/12/19/953041219.db2.gz ABZNHCHIOORPAA-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205708 953041573 /nfs/dbraw/zinc/04/15/73/953041573.db2.gz NFKNZQPNRYHATQ-KRWDZBQOSA-N -1 1 382.432 0.649 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205708 953041580 /nfs/dbraw/zinc/04/15/80/953041580.db2.gz NFKNZQPNRYHATQ-KRWDZBQOSA-N -1 1 382.432 0.649 20 0 GCADMM CCn1ccc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571205801 953042478 /nfs/dbraw/zinc/04/24/78/953042478.db2.gz BHKJZGVVAANMJJ-GFCCVEGCSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1ccc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205801 953042482 /nfs/dbraw/zinc/04/24/82/953042482.db2.gz BHKJZGVVAANMJJ-GFCCVEGCSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205834 953043100 /nfs/dbraw/zinc/04/31/00/953043100.db2.gz BQOGBFGKOFNBCG-ZWNOBZJWSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205834 953043105 /nfs/dbraw/zinc/04/31/05/953043105.db2.gz BQOGBFGKOFNBCG-ZWNOBZJWSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1nc(C)cc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571205856 953043491 /nfs/dbraw/zinc/04/34/91/953043491.db2.gz CDIULNVWGRNBHT-UHFFFAOYSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)[C@H](C)C2)n1 ZINC001571205850 953043549 /nfs/dbraw/zinc/04/35/49/953043549.db2.gz CBTZOEYNEVKTOX-NEPJUHHUSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571205850 953043552 /nfs/dbraw/zinc/04/35/52/953043552.db2.gz CBTZOEYNEVKTOX-NEPJUHHUSA-N -1 1 382.432 0.784 20 0 GCADMM CCn1cc(CC(=O)N(C)C2CC(Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571205864 953044165 /nfs/dbraw/zinc/04/41/65/953044165.db2.gz CIFYZMBBFABOES-UHFFFAOYSA-N -1 1 382.432 0.517 20 0 GCADMM CCn1cc(CC(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571205864 953044169 /nfs/dbraw/zinc/04/41/69/953044169.db2.gz CIFYZMBBFABOES-UHFFFAOYSA-N -1 1 382.432 0.517 20 0 GCADMM CCc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571205913 953044533 /nfs/dbraw/zinc/04/45/33/953044533.db2.gz OAFRQRMAPSEEIE-WDEREUQCSA-N -1 1 382.432 0.953 20 0 GCADMM CCc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571205913 953044536 /nfs/dbraw/zinc/04/45/36/953044536.db2.gz OAFRQRMAPSEEIE-WDEREUQCSA-N -1 1 382.432 0.953 20 0 GCADMM CCCn1nccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571205929 953044601 /nfs/dbraw/zinc/04/46/01/953044601.db2.gz OMHPCDRVQZIYIF-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM CCCn1nccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205929 953044605 /nfs/dbraw/zinc/04/46/05/953044605.db2.gz OMHPCDRVQZIYIF-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205960 953044655 /nfs/dbraw/zinc/04/46/55/953044655.db2.gz OZYRRJBJRKWEIM-NSHDSACASA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571205947 953044919 /nfs/dbraw/zinc/04/49/19/953044919.db2.gz OWMVJFOZYFYDNK-AAEUAGOBSA-N -1 1 382.432 0.139 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571205947 953044923 /nfs/dbraw/zinc/04/49/23/953044923.db2.gz OWMVJFOZYFYDNK-AAEUAGOBSA-N -1 1 382.432 0.139 20 0 GCADMM CCN(C(=O)c1[nH]c(C)nc1C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206001 953046348 /nfs/dbraw/zinc/04/63/48/953046348.db2.gz QQCNAWKHRBYMNG-GFCCVEGCSA-N -1 1 382.432 0.738 20 0 GCADMM CCCn1nccc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571206090 953047022 /nfs/dbraw/zinc/04/70/22/953047022.db2.gz RRHHZHNPAIHGJK-KRWDZBQOSA-N -1 1 382.432 0.662 20 0 GCADMM CCCn1nccc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571206090 953047026 /nfs/dbraw/zinc/04/70/26/953047026.db2.gz RRHHZHNPAIHGJK-KRWDZBQOSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206149 953047238 /nfs/dbraw/zinc/04/72/38/953047238.db2.gz RWXVDWIWPFNMRC-LLVKDONJSA-N -1 1 382.432 0.907 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206149 953047240 /nfs/dbraw/zinc/04/72/40/953047240.db2.gz RWXVDWIWPFNMRC-LLVKDONJSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cncn1C ZINC001571206081 953047277 /nfs/dbraw/zinc/04/72/77/953047277.db2.gz ROFZBYOFPGJDFU-NEPJUHHUSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cncn1C ZINC001571206081 953047279 /nfs/dbraw/zinc/04/72/79/953047279.db2.gz ROFZBYOFPGJDFU-NEPJUHHUSA-N -1 1 382.432 0.424 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206100 953047289 /nfs/dbraw/zinc/04/72/89/953047289.db2.gz DDFZMHXRHNGJEJ-GFCCVEGCSA-N -1 1 382.432 0.178 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cn[nH]c2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571206213 953047936 /nfs/dbraw/zinc/04/79/36/953047936.db2.gz SFEQWHHTNCINRB-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cn[nH]c2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571206213 953047940 /nfs/dbraw/zinc/04/79/40/953047940.db2.gz SFEQWHHTNCINRB-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3cnn(C)c3)CC[C@H]2C)n1 ZINC001571206185 953048128 /nfs/dbraw/zinc/04/81/28/953048128.db2.gz DTBOBCBPEBWFLT-YPMHNXCESA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3cnn(C)c3)CC[C@H]2C)n1 ZINC001571206185 953048133 /nfs/dbraw/zinc/04/81/33/953048133.db2.gz DTBOBCBPEBWFLT-YPMHNXCESA-N -1 1 382.432 0.486 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206153 953048226 /nfs/dbraw/zinc/04/82/26/953048226.db2.gz DQAAKLXTHRMFBC-JQWIXIFHSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206153 953048230 /nfs/dbraw/zinc/04/82/30/953048230.db2.gz DQAAKLXTHRMFBC-JQWIXIFHSA-N -1 1 382.432 0.899 20 0 GCADMM CCn1nccc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001571206191 953048359 /nfs/dbraw/zinc/04/83/59/953048359.db2.gz DTLGCCDLOAAFGX-ZDUSSCGKSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1nccc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571206191 953048362 /nfs/dbraw/zinc/04/83/62/953048362.db2.gz DTLGCCDLOAAFGX-ZDUSSCGKSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001571206297 953049038 /nfs/dbraw/zinc/04/90/38/953049038.db2.gz FKYNDVWKGDDKCR-NWDGAFQWSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001571206297 953049044 /nfs/dbraw/zinc/04/90/44/953049044.db2.gz FKYNDVWKGDDKCR-NWDGAFQWSA-N -1 1 382.432 0.660 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206272 953049240 /nfs/dbraw/zinc/04/92/40/953049240.db2.gz OBBPQAHMRCVCHJ-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206272 953049241 /nfs/dbraw/zinc/04/92/41/953049241.db2.gz OBBPQAHMRCVCHJ-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cnn(CC)c3)C2)n1 ZINC001571206236 953049389 /nfs/dbraw/zinc/04/93/89/953049389.db2.gz SMTOMRJUCLXPLO-GFCCVEGCSA-N -1 1 382.432 0.444 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cnn(CC)c3)C2)n1 ZINC001571206236 953049393 /nfs/dbraw/zinc/04/93/93/953049393.db2.gz SMTOMRJUCLXPLO-GFCCVEGCSA-N -1 1 382.432 0.444 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571206283 953049607 /nfs/dbraw/zinc/04/96/07/953049607.db2.gz STETWAHHPPZSGL-CYBMUJFWSA-N -1 1 382.432 0.980 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571206283 953049611 /nfs/dbraw/zinc/04/96/11/953049611.db2.gz STETWAHHPPZSGL-CYBMUJFWSA-N -1 1 382.432 0.980 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001571206379 953049891 /nfs/dbraw/zinc/04/98/91/953049891.db2.gz UKILAFVNQIVILP-VXGBXAGGSA-N -1 1 382.432 0.804 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001571206379 953049895 /nfs/dbraw/zinc/04/98/95/953049895.db2.gz UKILAFVNQIVILP-VXGBXAGGSA-N -1 1 382.432 0.804 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)c2cn[nH]c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206356 953050065 /nfs/dbraw/zinc/05/00/65/953050065.db2.gz UDLUIAYNRDXVBG-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)CC[C@@H](CNC(=O)c2cn[nH]c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206356 953050070 /nfs/dbraw/zinc/05/00/70/953050070.db2.gz UDLUIAYNRDXVBG-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001571206347 953050246 /nfs/dbraw/zinc/05/02/46/953050246.db2.gz OPWPZBOOBSCSCF-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001571206347 953050249 /nfs/dbraw/zinc/05/02/49/953050249.db2.gz OPWPZBOOBSCSCF-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@@H](NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206549 953051803 /nfs/dbraw/zinc/05/18/03/953051803.db2.gz ICDMVXMEIVMEPH-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@@H](NC(=O)c3cn(C)cn3)C2)n1 ZINC001571206549 953051807 /nfs/dbraw/zinc/05/18/07/953051807.db2.gz ICDMVXMEIVMEPH-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM CCn1ccc(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571206503 953052044 /nfs/dbraw/zinc/05/20/44/953052044.db2.gz HPBCILSYEDAPNQ-GFCCVEGCSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1ccc(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571206503 953052048 /nfs/dbraw/zinc/05/20/48/953052048.db2.gz HPBCILSYEDAPNQ-GFCCVEGCSA-N -1 1 382.432 0.662 20 0 GCADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206566 953052859 /nfs/dbraw/zinc/05/28/59/953052859.db2.gz QZHSXEVUJCNFHE-VOZZTLDKSA-N -1 1 382.428 0.483 20 0 GCADMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206566 953052863 /nfs/dbraw/zinc/05/28/63/953052863.db2.gz QZHSXEVUJCNFHE-VOZZTLDKSA-N -1 1 382.428 0.483 20 0 GCADMM CCn1ccnc1C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571206627 953053069 /nfs/dbraw/zinc/05/30/69/953053069.db2.gz IRZYUPDWYPXTCA-GFCCVEGCSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1ccnc1C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571206627 953053071 /nfs/dbraw/zinc/05/30/71/953053071.db2.gz IRZYUPDWYPXTCA-GFCCVEGCSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1ccc(CC(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571206613 953053155 /nfs/dbraw/zinc/05/31/55/953053155.db2.gz INOFUVPJXNANLI-ZDUSSCGKSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1ccc(CC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571206613 953053157 /nfs/dbraw/zinc/05/31/57/953053157.db2.gz INOFUVPJXNANLI-ZDUSSCGKSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1cc(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571206693 953054380 /nfs/dbraw/zinc/05/43/80/953054380.db2.gz JGXDHKBAWOYVDN-CYBMUJFWSA-N -1 1 382.432 0.201 20 0 GCADMM CCn1cc(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571206693 953054385 /nfs/dbraw/zinc/05/43/85/953054385.db2.gz JGXDHKBAWOYVDN-CYBMUJFWSA-N -1 1 382.432 0.201 20 0 GCADMM CCn1ccc(CC(=O)N(C)[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571206813 953056349 /nfs/dbraw/zinc/05/63/49/953056349.db2.gz KVMVVDSKIVPXEN-ZDUSSCGKSA-N -1 1 382.432 0.153 20 0 GCADMM CCn1ccc(CC(=O)N(C)[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571206813 953056354 /nfs/dbraw/zinc/05/63/54/953056354.db2.gz KVMVVDSKIVPXEN-ZDUSSCGKSA-N -1 1 382.432 0.153 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cncn2C)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571207031 953058080 /nfs/dbraw/zinc/05/80/80/953058080.db2.gz ZXZSTWSEQBRFDN-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cncn2C)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571207031 953058084 /nfs/dbraw/zinc/05/80/84/953058084.db2.gz ZXZSTWSEQBRFDN-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM CN(C(=O)Cc1cncn1C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571207106 953058902 /nfs/dbraw/zinc/05/89/02/953058902.db2.gz NEURWYOHGSPKPP-UHFFFAOYSA-N -1 1 382.432 0.060 20 0 GCADMM CN(C(=O)Cc1cncn1C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571207106 953058907 /nfs/dbraw/zinc/05/89/07/953058907.db2.gz NEURWYOHGSPKPP-UHFFFAOYSA-N -1 1 382.432 0.060 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@@H]1CCO[C@H]1C1CC1 ZINC001571207146 953060075 /nfs/dbraw/zinc/06/00/75/953060075.db2.gz WHWUAOPUVUOTKP-SEQRPAEDSA-N -1 1 382.428 0.023 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@@H]1CCO[C@H]1C1CC1 ZINC001571207146 953060077 /nfs/dbraw/zinc/06/00/77/953060077.db2.gz WHWUAOPUVUOTKP-SEQRPAEDSA-N -1 1 382.428 0.023 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2C)n1 ZINC001571207325 953061872 /nfs/dbraw/zinc/06/18/72/953061872.db2.gz QVQUNBJMCPEHBX-DGCLKSJQSA-N -1 1 382.432 0.368 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2C)n1 ZINC001571207325 953061874 /nfs/dbraw/zinc/06/18/74/953061874.db2.gz QVQUNBJMCPEHBX-DGCLKSJQSA-N -1 1 382.432 0.368 20 0 GCADMM CC(C)c1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1C ZINC001571207383 953062558 /nfs/dbraw/zinc/06/25/58/953062558.db2.gz ZDWHFLZGJCGRSQ-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)c1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1C ZINC001571207383 953062563 /nfs/dbraw/zinc/06/25/63/953062563.db2.gz ZDWHFLZGJCGRSQ-LLVKDONJSA-N -1 1 382.432 0.840 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207418 953062898 /nfs/dbraw/zinc/06/28/98/953062898.db2.gz RGBZEFYXLQLWHD-NEPJUHHUSA-N -1 1 382.432 0.448 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571207362 953062969 /nfs/dbraw/zinc/06/29/69/953062969.db2.gz YNPDUKIJNBFITF-LBPRGKRZSA-N -1 1 382.432 0.573 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571207472 953063456 /nfs/dbraw/zinc/06/34/56/953063456.db2.gz SIKVUJGXCUIGQX-GFCCVEGCSA-N -1 1 382.432 0.297 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)CCc1cn[nH]c1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571207454 953063975 /nfs/dbraw/zinc/06/39/75/953063975.db2.gz RWKZIFLBPXCQQK-ZDUSSCGKSA-N -1 1 382.432 0.440 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)CCc1cn[nH]c1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571207454 953063977 /nfs/dbraw/zinc/06/39/77/953063977.db2.gz RWKZIFLBPXCQQK-ZDUSSCGKSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]2C)n1 ZINC001571207553 953064295 /nfs/dbraw/zinc/06/42/95/953064295.db2.gz WHYVUUBCNDGGGY-WCQYABFASA-N -1 1 382.432 0.511 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1C ZINC001571207565 953064520 /nfs/dbraw/zinc/06/45/20/953064520.db2.gz WWFBVADGZFWDDL-ZWNOBZJWSA-N -1 1 382.432 0.436 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@H]2C)n1 ZINC001571207552 953064798 /nfs/dbraw/zinc/06/47/98/953064798.db2.gz WHYVUUBCNDGGGY-DGCLKSJQSA-N -1 1 382.432 0.511 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571207524 953064807 /nfs/dbraw/zinc/06/48/07/953064807.db2.gz VQCRYYIKLQMKQX-NEPJUHHUSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571207524 953064808 /nfs/dbraw/zinc/06/48/08/953064808.db2.gz VQCRYYIKLQMKQX-NEPJUHHUSA-N -1 1 382.432 0.884 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C)n1 ZINC001571207648 953064990 /nfs/dbraw/zinc/06/49/90/953064990.db2.gz ZABLDWSWIFUSGB-YGRLFVJLSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccnn3C)C[C@@H]2C)n1 ZINC001571207633 953065006 /nfs/dbraw/zinc/06/50/06/953065006.db2.gz YKFTZOHRIZFRID-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccnn3C)C[C@@H]2C)n1 ZINC001571207633 953065009 /nfs/dbraw/zinc/06/50/09/953065009.db2.gz YKFTZOHRIZFRID-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2C)n1 ZINC001571207646 953065535 /nfs/dbraw/zinc/06/55/35/953065535.db2.gz ZABLDWSWIFUSGB-IINYFYTJSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)c3cncn3C)CC2)n1 ZINC001571207616 953065605 /nfs/dbraw/zinc/06/56/05/953065605.db2.gz XYOVIYPMHFDBLW-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)c3cncn3C)CC2)n1 ZINC001571207616 953065608 /nfs/dbraw/zinc/06/56/08/953065608.db2.gz XYOVIYPMHFDBLW-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571207686 953065944 /nfs/dbraw/zinc/06/59/44/953065944.db2.gz ZTMRJSAAKXJJRK-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571207686 953065946 /nfs/dbraw/zinc/06/59/46/953065946.db2.gz ZTMRJSAAKXJJRK-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM O=C(Cn1ccnc1)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571209921 953068715 /nfs/dbraw/zinc/06/87/15/953068715.db2.gz ISXPKPLMDYOIAT-CYBMUJFWSA-N -1 1 382.432 0.594 20 0 GCADMM O=C(CCn1cccn1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571210745 953073933 /nfs/dbraw/zinc/07/39/33/953073933.db2.gz WGQBBYNZOXXLFR-CYBMUJFWSA-N -1 1 382.432 0.594 20 0 GCADMM O=C(CCn1cccn1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571210745 953073941 /nfs/dbraw/zinc/07/39/41/953073941.db2.gz WGQBBYNZOXXLFR-CYBMUJFWSA-N -1 1 382.432 0.594 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571210888 953075022 /nfs/dbraw/zinc/07/50/22/953075022.db2.gz ZLJZJTORFXHDTF-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571210888 953075027 /nfs/dbraw/zinc/07/50/27/953075027.db2.gz ZLJZJTORFXHDTF-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nc(C(=O)N2CCCC[C@@H]2CCNc2ccnc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571211431 953076368 /nfs/dbraw/zinc/07/63/68/953076368.db2.gz AMUCOEOZJKHIPC-GFCCVEGCSA-N -1 1 382.432 0.607 20 0 GCADMM Cc1nn(C(C)C)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211473 953077356 /nfs/dbraw/zinc/07/73/56/953077356.db2.gz BIUVSMHMJVOMJL-GFCCVEGCSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1nn(C(C)C)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211473 953077359 /nfs/dbraw/zinc/07/73/59/953077359.db2.gz BIUVSMHMJVOMJL-GFCCVEGCSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571211650 953079230 /nfs/dbraw/zinc/07/92/30/953079230.db2.gz DWTJQORJCCUGNC-VXGBXAGGSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571211650 953079233 /nfs/dbraw/zinc/07/92/33/953079233.db2.gz DWTJQORJCCUGNC-VXGBXAGGSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571211647 953079329 /nfs/dbraw/zinc/07/93/29/953079329.db2.gz DWTJQORJCCUGNC-NEPJUHHUSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571211647 953079332 /nfs/dbraw/zinc/07/93/32/953079332.db2.gz DWTJQORJCCUGNC-NEPJUHHUSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1nn(C)cc1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571211685 953079707 /nfs/dbraw/zinc/07/97/07/953079707.db2.gz FQRAODFGCLMPMU-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nn(C)cc1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571211685 953079709 /nfs/dbraw/zinc/07/97/09/953079709.db2.gz FQRAODFGCLMPMU-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001571211871 953081418 /nfs/dbraw/zinc/08/14/18/953081418.db2.gz HRCRWVBKNHMORI-GFCCVEGCSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571211871 953081425 /nfs/dbraw/zinc/08/14/25/953081425.db2.gz HRCRWVBKNHMORI-GFCCVEGCSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1ccnn1CC(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571211823 953082020 /nfs/dbraw/zinc/08/20/20/953082020.db2.gz GPFCTXJUCLNFJT-UHFFFAOYSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1ccnn1CC(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571211823 953082025 /nfs/dbraw/zinc/08/20/25/953082025.db2.gz GPFCTXJUCLNFJT-UHFFFAOYSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)n1C ZINC001571211945 953083013 /nfs/dbraw/zinc/08/30/13/953083013.db2.gz IWGKFZOEJXMWJY-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)n1C ZINC001571211945 953083017 /nfs/dbraw/zinc/08/30/17/953083017.db2.gz IWGKFZOEJXMWJY-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571212117 953083695 /nfs/dbraw/zinc/08/36/95/953083695.db2.gz JCVGGEACEYRLIU-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n(C)n1 ZINC001571212130 953084710 /nfs/dbraw/zinc/08/47/10/953084710.db2.gz JLDBZEZNACGBSU-UHFFFAOYSA-N -1 1 382.432 0.227 20 0 GCADMM Cn1ccc(CC(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571212153 953084984 /nfs/dbraw/zinc/08/49/84/953084984.db2.gz KBOUUASSLOEJMG-NWDGAFQWSA-N -1 1 382.432 0.330 20 0 GCADMM Cn1ccc(CC(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571212153 953084987 /nfs/dbraw/zinc/08/49/87/953084987.db2.gz KBOUUASSLOEJMG-NWDGAFQWSA-N -1 1 382.432 0.330 20 0 GCADMM Cc1cnn(C)c1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212344 953086646 /nfs/dbraw/zinc/08/66/46/953086646.db2.gz MBEWIGKPHOBRGZ-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1cnn(C)c1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212344 953086650 /nfs/dbraw/zinc/08/66/50/953086650.db2.gz MBEWIGKPHOBRGZ-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001571212335 953086728 /nfs/dbraw/zinc/08/67/28/953086728.db2.gz LXYQUNYXYKIPCW-ZWNOBZJWSA-N -1 1 382.432 0.111 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001571212335 953086734 /nfs/dbraw/zinc/08/67/34/953086734.db2.gz LXYQUNYXYKIPCW-ZWNOBZJWSA-N -1 1 382.432 0.111 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212731 953090067 /nfs/dbraw/zinc/09/00/67/953090067.db2.gz OQFZJXFXRNLTAV-CMPLNLGQSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212731 953090073 /nfs/dbraw/zinc/09/00/73/953090073.db2.gz OQFZJXFXRNLTAV-CMPLNLGQSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1ccnn1CC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571212748 953090566 /nfs/dbraw/zinc/09/05/66/953090566.db2.gz OTZPIIQTEFDUKV-QWHCGFSZSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1ccnn1CC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571212748 953090570 /nfs/dbraw/zinc/09/05/70/953090570.db2.gz OTZPIIQTEFDUKV-QWHCGFSZSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571213127 953092169 /nfs/dbraw/zinc/09/21/69/953092169.db2.gz RDYGSXMLBOZXOG-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571213127 953092170 /nfs/dbraw/zinc/09/21/70/953092170.db2.gz RDYGSXMLBOZXOG-GFCCVEGCSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)n1C ZINC001571213025 953092195 /nfs/dbraw/zinc/09/21/95/953092195.db2.gz PUFPHMLIMAXZOD-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)n1C ZINC001571213025 953092197 /nfs/dbraw/zinc/09/21/97/953092197.db2.gz PUFPHMLIMAXZOD-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571213427 953093959 /nfs/dbraw/zinc/09/39/59/953093959.db2.gz SPWZNRMJDOXUJF-GFCCVEGCSA-N -1 1 382.432 0.961 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571213490 953094900 /nfs/dbraw/zinc/09/49/00/953094900.db2.gz VBUJKPQSGOTWOI-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571213490 953094907 /nfs/dbraw/zinc/09/49/07/953094907.db2.gz VBUJKPQSGOTWOI-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571213485 953095402 /nfs/dbraw/zinc/09/54/02/953095402.db2.gz UYNOVWSBVSPQPD-KRWDZBQOSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571213485 953095409 /nfs/dbraw/zinc/09/54/09/953095409.db2.gz UYNOVWSBVSPQPD-KRWDZBQOSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571213434 953095774 /nfs/dbraw/zinc/09/57/74/953095774.db2.gz SWBZRIIIPZKHKN-JQWIXIFHSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571213434 953095778 /nfs/dbraw/zinc/09/57/78/953095778.db2.gz SWBZRIIIPZKHKN-JQWIXIFHSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571213765 953097868 /nfs/dbraw/zinc/09/78/68/953097868.db2.gz VLUUVSWYUKXAJR-CYBMUJFWSA-N -1 1 382.432 0.255 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571213765 953097874 /nfs/dbraw/zinc/09/78/74/953097874.db2.gz VLUUVSWYUKXAJR-CYBMUJFWSA-N -1 1 382.432 0.255 20 0 GCADMM Cc1ncn(C)c1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571213888 953098845 /nfs/dbraw/zinc/09/88/45/953098845.db2.gz YDVIDHVGVUNSEA-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1ncn(C)c1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571213888 953098849 /nfs/dbraw/zinc/09/88/49/953098849.db2.gz YDVIDHVGVUNSEA-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571214124 953099959 /nfs/dbraw/zinc/09/99/59/953099959.db2.gz YJIMYSYCJLWCLX-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571214124 953099963 /nfs/dbraw/zinc/09/99/63/953099963.db2.gz YJIMYSYCJLWCLX-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571214220 953100350 /nfs/dbraw/zinc/10/03/50/953100350.db2.gz ZKJAFHIERFZFMB-LBPRGKRZSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571214220 953100353 /nfs/dbraw/zinc/10/03/53/953100353.db2.gz ZKJAFHIERFZFMB-LBPRGKRZSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)n1C ZINC001571214251 953100382 /nfs/dbraw/zinc/10/03/82/953100382.db2.gz ZQWQWOORCJFQNX-ZYHUDNBSSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)n1C ZINC001571214251 953100384 /nfs/dbraw/zinc/10/03/84/953100384.db2.gz ZQWQWOORCJFQNX-ZYHUDNBSSA-N -1 1 382.432 0.804 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571214227 953100733 /nfs/dbraw/zinc/10/07/33/953100733.db2.gz ZMZSRUISHSEHSE-HAQNSBGRSA-N -1 1 382.432 0.791 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571214227 953100735 /nfs/dbraw/zinc/10/07/35/953100735.db2.gz ZMZSRUISHSEHSE-HAQNSBGRSA-N -1 1 382.432 0.791 20 0 GCADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571214186 953100865 /nfs/dbraw/zinc/10/08/65/953100865.db2.gz ZBPYEPGOHATVDC-GGZOMVNGSA-N -1 1 382.432 0.859 20 0 GCADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571214186 953100869 /nfs/dbraw/zinc/10/08/69/953100869.db2.gz ZBPYEPGOHATVDC-GGZOMVNGSA-N -1 1 382.432 0.859 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571214213 953100989 /nfs/dbraw/zinc/10/09/89/953100989.db2.gz ZIAWRSBDZGJTBN-UHFFFAOYSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1ccnc1CCC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571214213 953100994 /nfs/dbraw/zinc/10/09/94/953100994.db2.gz ZIAWRSBDZGJTBN-UHFFFAOYSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571214200 953101020 /nfs/dbraw/zinc/10/10/20/953101020.db2.gz ZDURRNAZCXUHSM-LBPRGKRZSA-N -1 1 382.432 0.276 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571214179 953101050 /nfs/dbraw/zinc/10/10/50/953101050.db2.gz YVYCBHVRQXPEPW-TZMCWYRMSA-N -1 1 382.432 0.511 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571214179 953101053 /nfs/dbraw/zinc/10/10/53/953101053.db2.gz YVYCBHVRQXPEPW-TZMCWYRMSA-N -1 1 382.432 0.511 20 0 GCADMM CN(C)C(=O)[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001571216922 953105223 /nfs/dbraw/zinc/10/52/23/953105223.db2.gz COCKNAOEPZKXRA-MRVPVSSYSA-N -1 1 383.334 0.831 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001571217338 953106968 /nfs/dbraw/zinc/10/69/68/953106968.db2.gz IHLKKZOZTXRUBQ-WDEREUQCSA-N -1 1 383.391 0.575 20 0 GCADMM CC1(NC(=O)c2ccc(F)cn2)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571217565 953109274 /nfs/dbraw/zinc/10/92/74/953109274.db2.gz NPWAKPPUSQBDJV-UHFFFAOYSA-N -1 1 383.391 0.980 20 0 GCADMM C[C@H](C(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001571217641 953110187 /nfs/dbraw/zinc/11/01/87/953110187.db2.gz GQPSZRUKIOYSPL-JDNHERCYSA-N -1 1 383.372 0.613 20 0 GCADMM CC(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)n(C)n1 ZINC001571218060 953113174 /nfs/dbraw/zinc/11/31/74/953113174.db2.gz LAYLRFOAYOMVDU-UHFFFAOYSA-N -1 1 382.475 0.701 20 0 GCADMM CC(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)n(C)n1 ZINC001571218060 953113178 /nfs/dbraw/zinc/11/31/78/953113178.db2.gz LAYLRFOAYOMVDU-UHFFFAOYSA-N -1 1 382.475 0.701 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(F)cn1 ZINC001571218513 953116019 /nfs/dbraw/zinc/11/60/19/953116019.db2.gz ACMRHERKZZZZCQ-NSHDSACASA-N -1 1 383.391 0.837 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571218535 953116152 /nfs/dbraw/zinc/11/61/52/953116152.db2.gz WPZUNFWONIRBPJ-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571218535 953116155 /nfs/dbraw/zinc/11/61/55/953116155.db2.gz WPZUNFWONIRBPJ-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001571218578 953116819 /nfs/dbraw/zinc/11/68/19/953116819.db2.gz BUAODBSJISYZCM-UHFFFAOYSA-N -1 1 383.391 0.932 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571218575 953116968 /nfs/dbraw/zinc/11/69/68/953116968.db2.gz BTEPDAVLHMZWKA-MNOVXSKESA-N -1 1 383.391 0.722 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571218575 953116974 /nfs/dbraw/zinc/11/69/74/953116974.db2.gz BTEPDAVLHMZWKA-MNOVXSKESA-N -1 1 383.391 0.722 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1noc2c1COCC2 ZINC001571218656 953118070 /nfs/dbraw/zinc/11/80/70/953118070.db2.gz XVUFHNLQTXVXDU-DTORHVGOSA-N -1 1 383.372 0.090 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1noc2c1COCC2 ZINC001571218656 953118074 /nfs/dbraw/zinc/11/80/74/953118074.db2.gz XVUFHNLQTXVXDU-DTORHVGOSA-N -1 1 383.372 0.090 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2)c1cc(F)c[nH]1 ZINC001571219034 953121783 /nfs/dbraw/zinc/12/17/83/953121783.db2.gz JXHLSTBTCIZRPU-DLOVCJGASA-N -1 1 383.391 0.911 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2)c1cc(F)c[nH]1 ZINC001571219034 953121785 /nfs/dbraw/zinc/12/17/85/953121785.db2.gz JXHLSTBTCIZRPU-DLOVCJGASA-N -1 1 383.391 0.911 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1F ZINC001571219277 953123987 /nfs/dbraw/zinc/12/39/87/953123987.db2.gz NIRPRXLGKVGZCG-NSHDSACASA-N -1 1 383.391 0.837 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1F ZINC001571219277 953123988 /nfs/dbraw/zinc/12/39/88/953123988.db2.gz NIRPRXLGKVGZCG-NSHDSACASA-N -1 1 383.391 0.837 20 0 GCADMM COc1cccc2c1CN(C(=O)CCn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)C2 ZINC001571219384 953126245 /nfs/dbraw/zinc/12/62/45/953126245.db2.gz YPKNGPXRXHLGAD-UHFFFAOYSA-N -1 1 383.368 0.070 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1F)c1nccnc1-c1nnn[n-]1 ZINC001571220117 953128690 /nfs/dbraw/zinc/12/86/90/953128690.db2.gz XLRUEVLANWJKIN-NSHDSACASA-N -1 1 383.391 0.932 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1F)c1nccnc1-c1nn[n-]n1 ZINC001571220117 953128696 /nfs/dbraw/zinc/12/86/96/953128696.db2.gz XLRUEVLANWJKIN-NSHDSACASA-N -1 1 383.391 0.932 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)no1 ZINC001571222030 953130494 /nfs/dbraw/zinc/13/04/94/953130494.db2.gz AFEIHGGEVGTQKR-XYPYZODXSA-N -1 1 383.416 0.782 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ncoc2C)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571222172 953131300 /nfs/dbraw/zinc/13/13/00/953131300.db2.gz DNKSHWFIJQJEAK-VXGBXAGGSA-N -1 1 383.416 0.728 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)c3ccon3)CC[C@@H]2C)n1 ZINC001571222165 953131725 /nfs/dbraw/zinc/13/17/25/953131725.db2.gz DJFNVEXXBCPQFU-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)c3ccon3)CC[C@@H]2C)n1 ZINC001571222165 953131726 /nfs/dbraw/zinc/13/17/26/953131726.db2.gz DJFNVEXXBCPQFU-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cc(C)[nH]c1C ZINC001571222260 953132205 /nfs/dbraw/zinc/13/22/05/953132205.db2.gz BOARUJLENRMHOD-CHWSQXEVSA-N -1 1 383.416 0.235 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cc(C)[nH]c1C ZINC001571222260 953132211 /nfs/dbraw/zinc/13/22/11/953132211.db2.gz BOARUJLENRMHOD-CHWSQXEVSA-N -1 1 383.416 0.235 20 0 GCADMM CCCc1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571222195 953132712 /nfs/dbraw/zinc/13/27/12/953132712.db2.gz DYUUWLVLRDEUJQ-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCCc1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571222195 953132715 /nfs/dbraw/zinc/13/27/15/953132715.db2.gz DYUUWLVLRDEUJQ-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)c3ncoc3C)C2)n1 ZINC001571222306 953133205 /nfs/dbraw/zinc/13/32/05/953133205.db2.gz GGFGXYGKPDCBFG-LLVKDONJSA-N -1 1 383.416 0.866 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)c3ncoc3C)C2)n1 ZINC001571222306 953133207 /nfs/dbraw/zinc/13/32/07/953133207.db2.gz GGFGXYGKPDCBFG-LLVKDONJSA-N -1 1 383.416 0.866 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)co1 ZINC001571222408 953134263 /nfs/dbraw/zinc/13/42/63/953134263.db2.gz HYBJKSRIVKJTRP-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)co1 ZINC001571222408 953134264 /nfs/dbraw/zinc/13/42/64/953134264.db2.gz HYBJKSRIVKJTRP-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571222477 953134857 /nfs/dbraw/zinc/13/48/57/953134857.db2.gz GGBAJRIFRQNTNH-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571222477 953134858 /nfs/dbraw/zinc/13/48/58/953134858.db2.gz GGBAJRIFRQNTNH-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571222476 953135175 /nfs/dbraw/zinc/13/51/75/953135175.db2.gz GGBAJRIFRQNTNH-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571222476 953135177 /nfs/dbraw/zinc/13/51/77/953135177.db2.gz GGBAJRIFRQNTNH-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C)c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571222663 953136678 /nfs/dbraw/zinc/13/66/78/953136678.db2.gz IJCSDXBGOQAJMB-NSHDSACASA-N -1 1 383.416 0.833 20 0 GCADMM CCc1nc(C)c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571222663 953136681 /nfs/dbraw/zinc/13/66/81/953136681.db2.gz IJCSDXBGOQAJMB-NSHDSACASA-N -1 1 383.416 0.833 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222587 953136730 /nfs/dbraw/zinc/13/67/30/953136730.db2.gz JRRVYXFDMXIMDP-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222587 953136733 /nfs/dbraw/zinc/13/67/33/953136733.db2.gz JRRVYXFDMXIMDP-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222767 953138405 /nfs/dbraw/zinc/13/84/05/953138405.db2.gz LSEHBZPMXLPCMW-GHMZBOCLSA-N -1 1 383.416 0.592 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222769 953138961 /nfs/dbraw/zinc/13/89/61/953138961.db2.gz LSEHBZPMXLPCMW-MNOVXSKESA-N -1 1 383.416 0.592 20 0 GCADMM CCc1ncoc1C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571222878 953139845 /nfs/dbraw/zinc/13/98/45/953139845.db2.gz NJPJJYFSOXRXKH-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1ncoc1C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571222878 953139848 /nfs/dbraw/zinc/13/98/48/953139848.db2.gz NJPJJYFSOXRXKH-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571222901 953139907 /nfs/dbraw/zinc/13/99/07/953139907.db2.gz NBKZTCZQNMALEM-QWRGUYRKSA-N -1 1 383.416 0.449 20 0 GCADMM CCc1ocnc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571222870 953140041 /nfs/dbraw/zinc/14/00/41/953140041.db2.gz NDOMSHUUWPBYBT-NSHDSACASA-N -1 1 383.416 0.592 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccon2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571223475 953144283 /nfs/dbraw/zinc/14/42/83/953144283.db2.gz RHFBWPCKYSIDGK-NWDGAFQWSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccon2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571223475 953144286 /nfs/dbraw/zinc/14/42/86/953144286.db2.gz RHFBWPCKYSIDGK-NWDGAFQWSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571223418 953144474 /nfs/dbraw/zinc/14/44/74/953144474.db2.gz QZDWQJZUPRRROL-WCQYABFASA-N -1 1 383.416 0.348 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571223480 953144500 /nfs/dbraw/zinc/14/45/00/953144500.db2.gz RHFBWPCKYSIDGK-VXGBXAGGSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571223480 953144502 /nfs/dbraw/zinc/14/45/02/953144502.db2.gz RHFBWPCKYSIDGK-VXGBXAGGSA-N -1 1 383.416 0.784 20 0 GCADMM CCc1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571223525 953145019 /nfs/dbraw/zinc/14/50/19/953145019.db2.gz UAQNARKELVWOPB-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571223525 953145023 /nfs/dbraw/zinc/14/50/23/953145023.db2.gz UAQNARKELVWOPB-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1ocnc1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571223573 953145283 /nfs/dbraw/zinc/14/52/83/953145283.db2.gz VTSUABNYAHXFQP-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ocnc1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571223573 953145285 /nfs/dbraw/zinc/14/52/85/953145285.db2.gz VTSUABNYAHXFQP-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571223607 953146434 /nfs/dbraw/zinc/14/64/34/953146434.db2.gz XAYAWCMPKWVLPS-PWSUYJOCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571223607 953146436 /nfs/dbraw/zinc/14/64/36/953146436.db2.gz XAYAWCMPKWVLPS-PWSUYJOCSA-N -1 1 383.416 0.994 20 0 GCADMM CCCc1cc(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)no1 ZINC001571223704 953146488 /nfs/dbraw/zinc/14/64/88/953146488.db2.gz SVLPHTGZGFUINO-UHFFFAOYSA-N -1 1 383.416 0.736 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571223775 953147225 /nfs/dbraw/zinc/14/72/25/953147225.db2.gz VGTCEUKLRYMQIC-GHMZBOCLSA-N -1 1 383.416 0.782 20 0 GCADMM CCc1nc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)co1 ZINC001571224028 953148669 /nfs/dbraw/zinc/14/86/69/953148669.db2.gz XCTDPWBCOUVDDT-GHMZBOCLSA-N -1 1 383.416 0.709 20 0 GCADMM CCc1nc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)co1 ZINC001571224028 953148672 /nfs/dbraw/zinc/14/86/72/953148672.db2.gz XCTDPWBCOUVDDT-GHMZBOCLSA-N -1 1 383.416 0.709 20 0 GCADMM Cc1ncoc1C(=O)N1CCC([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571224928 953151260 /nfs/dbraw/zinc/15/12/60/953151260.db2.gz GYGPFCQARHBEHE-SNVBAGLBSA-N -1 1 383.416 0.728 20 0 GCADMM Cc1conc1C(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571225143 953152123 /nfs/dbraw/zinc/15/21/23/953152123.db2.gz HVKXAXCSHLPUFQ-NEPJUHHUSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1conc1C(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571225143 953152127 /nfs/dbraw/zinc/15/21/27/953152127.db2.gz HVKXAXCSHLPUFQ-NEPJUHHUSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)o1 ZINC001571224964 953152330 /nfs/dbraw/zinc/15/23/30/953152330.db2.gz HOYPYUXEEGQZBQ-GWCFXTLKSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)o1 ZINC001571224964 953152331 /nfs/dbraw/zinc/15/23/31/953152331.db2.gz HOYPYUXEEGQZBQ-GWCFXTLKSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H]([C@@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571225656 953153746 /nfs/dbraw/zinc/15/37/46/953153746.db2.gz MMXYASSJDDEANV-VXGBXAGGSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H]([C@@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571225656 953153748 /nfs/dbraw/zinc/15/37/48/953153748.db2.gz MMXYASSJDDEANV-VXGBXAGGSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001571225915 953154566 /nfs/dbraw/zinc/15/45/66/953154566.db2.gz OEYOBCRTRYRNBK-LBPRGKRZSA-N -1 1 383.416 0.268 20 0 GCADMM Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571225934 953154581 /nfs/dbraw/zinc/15/45/81/953154581.db2.gz OPNLALXLMUBQQP-RYUDHWBXSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571225934 953154582 /nfs/dbraw/zinc/15/45/82/953154582.db2.gz OPNLALXLMUBQQP-RYUDHWBXSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ncc(CC(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571226980 953157809 /nfs/dbraw/zinc/15/78/09/953157809.db2.gz YGJFXTBPOWYYJQ-NWDGAFQWSA-N -1 1 383.416 0.457 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001571227702 953159055 /nfs/dbraw/zinc/15/90/55/953159055.db2.gz AILXXWNRYKYPNG-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001571227696 953159241 /nfs/dbraw/zinc/15/92/41/953159241.db2.gz AEEFNLWHUJKHOL-NWDGAFQWSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001571227696 953159242 /nfs/dbraw/zinc/15/92/42/953159242.db2.gz AEEFNLWHUJKHOL-NWDGAFQWSA-N -1 1 383.420 0.302 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571227753 953159253 /nfs/dbraw/zinc/15/92/53/953159253.db2.gz BHGCVMJUBOBONP-XYPYZODXSA-N -1 1 383.420 0.421 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571227753 953159255 /nfs/dbraw/zinc/15/92/55/953159255.db2.gz BHGCVMJUBOBONP-XYPYZODXSA-N -1 1 383.420 0.421 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001571227727 953159278 /nfs/dbraw/zinc/15/92/78/953159278.db2.gz ARHVYDRPQPRBST-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001571227727 953159280 /nfs/dbraw/zinc/15/92/80/953159280.db2.gz ARHVYDRPQPRBST-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM Cc1ocnc1C(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571227779 953159649 /nfs/dbraw/zinc/15/96/49/953159649.db2.gz BVIVOMZMDKZKAN-ZYHUDNBSSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ocnc1C(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571227779 953159652 /nfs/dbraw/zinc/15/96/52/953159652.db2.gz BVIVOMZMDKZKAN-ZYHUDNBSSA-N -1 1 383.416 0.988 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)n1 ZINC001571227792 953159768 /nfs/dbraw/zinc/15/97/68/953159768.db2.gz CDKQXAURTNVFFC-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571227792 953159771 /nfs/dbraw/zinc/15/97/71/953159771.db2.gz CDKQXAURTNVFFC-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM CCn1nncc1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571227807 953160093 /nfs/dbraw/zinc/16/00/93/953160093.db2.gz CKOZZXSLCDGLMK-LLVKDONJSA-N -1 1 383.420 0.057 20 0 GCADMM CCn1nncc1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571227807 953160095 /nfs/dbraw/zinc/16/00/95/953160095.db2.gz CKOZZXSLCDGLMK-LLVKDONJSA-N -1 1 383.420 0.057 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227870 953160845 /nfs/dbraw/zinc/16/08/45/953160845.db2.gz DROIQWZHICECFQ-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227870 953160846 /nfs/dbraw/zinc/16/08/46/953160846.db2.gz DROIQWZHICECFQ-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)Cc1nnc[nH]1 ZINC001571228104 953161730 /nfs/dbraw/zinc/16/17/30/953161730.db2.gz INETUABDGLYNFZ-JQWIXIFHSA-N -1 1 383.420 0.199 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)nn1 ZINC001571228169 953162379 /nfs/dbraw/zinc/16/23/79/953162379.db2.gz JXQLLXGFMDONCJ-MNOVXSKESA-N -1 1 383.420 0.231 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)nn1 ZINC001571228169 953162381 /nfs/dbraw/zinc/16/23/81/953162381.db2.gz JXQLLXGFMDONCJ-MNOVXSKESA-N -1 1 383.420 0.231 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571228216 953163315 /nfs/dbraw/zinc/16/33/15/953163315.db2.gz KZRQDTIYEIYGKJ-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571228216 953163317 /nfs/dbraw/zinc/16/33/17/953163317.db2.gz KZRQDTIYEIYGKJ-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571228288 953163701 /nfs/dbraw/zinc/16/37/01/953163701.db2.gz MTCIGSQYRGJMLW-INIZCTEOSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571228288 953163703 /nfs/dbraw/zinc/16/37/03/953163703.db2.gz MTCIGSQYRGJMLW-INIZCTEOSA-N -1 1 383.420 0.232 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001571228619 953165777 /nfs/dbraw/zinc/16/57/77/953165777.db2.gz UFUZUKDSLBODOZ-QWRGUYRKSA-N -1 1 383.420 0.057 20 0 GCADMM CCc1nc(NC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571228667 953165920 /nfs/dbraw/zinc/16/59/20/953165920.db2.gz VGBJNMXEGXYVJS-ZJUUUORDSA-N -1 1 383.420 0.157 20 0 GCADMM CCn1nc(C)c(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571228812 953166552 /nfs/dbraw/zinc/16/65/52/953166552.db2.gz VVYYUTFUYGSLOH-LLVKDONJSA-N -1 1 383.420 0.151 20 0 GCADMM CCn1nc(C)c(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571228812 953166553 /nfs/dbraw/zinc/16/65/53/953166553.db2.gz VVYYUTFUYGSLOH-LLVKDONJSA-N -1 1 383.420 0.151 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001571229014 953167830 /nfs/dbraw/zinc/16/78/30/953167830.db2.gz YHQWHNBCFLPWKF-BZNIZROVSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001571229014 953167832 /nfs/dbraw/zinc/16/78/32/953167832.db2.gz YHQWHNBCFLPWKF-BZNIZROVSA-N -1 1 383.420 0.160 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571229042 953167848 /nfs/dbraw/zinc/16/78/48/953167848.db2.gz YUEIEIOSONKZCG-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571229042 953167849 /nfs/dbraw/zinc/16/78/49/953167849.db2.gz YUEIEIOSONKZCG-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2cnn(C)n2)n1 ZINC001571229808 953172382 /nfs/dbraw/zinc/17/23/82/953172382.db2.gz OGMACPRPTCQVBT-GHMZBOCLSA-N -1 1 383.420 0.247 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2cnn(C)n2)n1 ZINC001571229808 953172384 /nfs/dbraw/zinc/17/23/84/953172384.db2.gz OGMACPRPTCQVBT-GHMZBOCLSA-N -1 1 383.420 0.247 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCCS(=O)(=O)C(C)(C)C)c1 ZINC001571230316 953175833 /nfs/dbraw/zinc/17/58/33/953175833.db2.gz UVEWFOGSQAPHED-UHFFFAOYSA-N -1 1 383.430 0.418 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)c3cnnn3C)CC2(C)C)n1 ZINC001571230343 953176162 /nfs/dbraw/zinc/17/61/62/953176162.db2.gz VUFXTGQMPKNKLH-LBPRGKRZSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)c3cnnn3C)CC2(C)C)n1 ZINC001571230343 953176164 /nfs/dbraw/zinc/17/61/64/953176164.db2.gz VUFXTGQMPKNKLH-LBPRGKRZSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)c2ncn(C)n2)n1 ZINC001571230648 953178903 /nfs/dbraw/zinc/17/89/03/953178903.db2.gz ZHUUYTNFXGQPQN-LLVKDONJSA-N -1 1 383.420 0.200 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)c2ncn(C)n2)n1 ZINC001571230648 953178906 /nfs/dbraw/zinc/17/89/06/953178906.db2.gz ZHUUYTNFXGQPQN-LLVKDONJSA-N -1 1 383.420 0.200 20 0 GCADMM O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001571230946 953181775 /nfs/dbraw/zinc/18/17/75/953181775.db2.gz NVDMMNMODSXUGW-QMTHXVAHSA-N -1 1 383.455 0.394 20 0 GCADMM O=C(N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001571230945 953182091 /nfs/dbraw/zinc/18/20/91/953182091.db2.gz NVDMMNMODSXUGW-IINYFYTJSA-N -1 1 383.455 0.394 20 0 GCADMM O=C(c1ccns1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571231571 953185461 /nfs/dbraw/zinc/18/54/61/953185461.db2.gz ZYFQNDKJNPAZIY-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1ccns1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571231571 953185462 /nfs/dbraw/zinc/18/54/62/953185462.db2.gz ZYFQNDKJNPAZIY-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O)C1CCC1 ZINC001571235137 953209831 /nfs/dbraw/zinc/20/98/31/953209831.db2.gz UQIFRNYQXDPUKZ-RKDXNWHRSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O)C1CCC1 ZINC001571235137 953209834 /nfs/dbraw/zinc/20/98/34/953209834.db2.gz UQIFRNYQXDPUKZ-RKDXNWHRSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(COc1ccccc1F)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571235357 953211361 /nfs/dbraw/zinc/21/13/61/953211361.db2.gz BEDFDBVSIAUPHU-UHFFFAOYSA-N -1 1 384.375 0.523 20 0 GCADMM COCc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC001571235402 953212124 /nfs/dbraw/zinc/21/21/24/953212124.db2.gz CQBZKYRUNCWBTA-ZYHUDNBSSA-N -1 1 384.400 0.651 20 0 GCADMM COCc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC001571235402 953212125 /nfs/dbraw/zinc/21/21/25/953212125.db2.gz CQBZKYRUNCWBTA-ZYHUDNBSSA-N -1 1 384.400 0.651 20 0 GCADMM CCc1ccc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1C ZINC001571235483 953213144 /nfs/dbraw/zinc/21/31/44/953213144.db2.gz GIVFWNCOXRWOQV-UHFFFAOYSA-N -1 1 384.400 0.822 20 0 GCADMM CO[C@@H](C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1cccnc1)[C@H]1CCOC1 ZINC001571235572 953213712 /nfs/dbraw/zinc/21/37/12/953213712.db2.gz IYDPXCMIBQZQAP-SMDDNHRTSA-N -1 1 384.400 0.746 20 0 GCADMM CO[C@@H](C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1cccnc1)[C@H]1CCOC1 ZINC001571235572 953213715 /nfs/dbraw/zinc/21/37/15/953213715.db2.gz IYDPXCMIBQZQAP-SMDDNHRTSA-N -1 1 384.400 0.746 20 0 GCADMM CNC(=O)NC[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCO1 ZINC001571236402 953217693 /nfs/dbraw/zinc/21/76/93/953217693.db2.gz YVIWRXMRKHSVOY-SNVBAGLBSA-N -1 1 384.400 0.118 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCCO2)o1 ZINC001571236689 953218645 /nfs/dbraw/zinc/21/86/45/953218645.db2.gz BIUPMMNPXSDULK-GFCCVEGCSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1ccoc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571237134 953219894 /nfs/dbraw/zinc/21/98/94/953219894.db2.gz FOONJKHYJNMLRV-NEPJUHHUSA-N -1 1 384.400 0.322 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)c(C)o1 ZINC001571237326 953221015 /nfs/dbraw/zinc/22/10/15/953221015.db2.gz HLYUMCYIOAGYDT-GFCCVEGCSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)c(C)o1 ZINC001571237326 953221016 /nfs/dbraw/zinc/22/10/16/953221016.db2.gz HLYUMCYIOAGYDT-GFCCVEGCSA-N -1 1 384.400 0.502 20 0 GCADMM O=C(CCc1ccco1)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237472 953221383 /nfs/dbraw/zinc/22/13/83/953221383.db2.gz IJGOREBSDIHWBB-CYBMUJFWSA-N -1 1 384.400 0.522 20 0 GCADMM O=C(CCc1ccco1)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237472 953221384 /nfs/dbraw/zinc/22/13/84/953221384.db2.gz IJGOREBSDIHWBB-CYBMUJFWSA-N -1 1 384.400 0.522 20 0 GCADMM COc1ccc(C(=O)N2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571237479 953221419 /nfs/dbraw/zinc/22/14/19/953221419.db2.gz ISVPPOLZYIOOON-UHFFFAOYSA-N -1 1 384.400 0.919 20 0 GCADMM COc1ccc(C(=O)N2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571237479 953221420 /nfs/dbraw/zinc/22/14/20/953221420.db2.gz ISVPPOLZYIOOON-UHFFFAOYSA-N -1 1 384.400 0.919 20 0 GCADMM Cc1cocc1C(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571237682 953222094 /nfs/dbraw/zinc/22/20/94/953222094.db2.gz LQHDKYJECOFDNQ-YPMHNXCESA-N -1 1 384.400 0.900 20 0 GCADMM Cc1cocc1C(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571237682 953222097 /nfs/dbraw/zinc/22/20/97/953222097.db2.gz LQHDKYJECOFDNQ-YPMHNXCESA-N -1 1 384.400 0.900 20 0 GCADMM Cc1occc1C(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237512 953222236 /nfs/dbraw/zinc/22/22/36/953222236.db2.gz JLSGNPLRYDJAIX-HZMBPMFUSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1occc1C(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237512 953222239 /nfs/dbraw/zinc/22/22/39/953222239.db2.gz JLSGNPLRYDJAIX-HZMBPMFUSA-N -1 1 384.400 0.900 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnon2)CC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571237929 953224185 /nfs/dbraw/zinc/22/41/85/953224185.db2.gz OIVIVKLSCINIOC-WDEREUQCSA-N -1 1 384.404 0.701 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnon2)CC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571237929 953224188 /nfs/dbraw/zinc/22/41/88/953224188.db2.gz OIVIVKLSCINIOC-WDEREUQCSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1ccoc1CC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238136 953225774 /nfs/dbraw/zinc/22/57/74/953225774.db2.gz VFVTUANGKFZAFJ-GFCCVEGCSA-N -1 1 384.400 0.440 20 0 GCADMM Cc1ccoc1CC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238136 953225778 /nfs/dbraw/zinc/22/57/78/953225778.db2.gz VFVTUANGKFZAFJ-GFCCVEGCSA-N -1 1 384.400 0.440 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571238160 953226208 /nfs/dbraw/zinc/22/62/08/953226208.db2.gz VQUGFGLQKRGXKZ-NXEZZACHSA-N -1 1 384.404 0.059 20 0 GCADMM COc1ccc([C@@H](CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)NC(C)=O)cc1 ZINC001571238221 953226242 /nfs/dbraw/zinc/22/62/42/953226242.db2.gz WVVQKTSWURYKKI-CQSZACIVSA-N -1 1 384.400 0.815 20 0 GCADMM COc1ccc([C@@H](CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)NC(C)=O)cc1 ZINC001571238221 953226244 /nfs/dbraw/zinc/22/62/44/953226244.db2.gz WVVQKTSWURYKKI-CQSZACIVSA-N -1 1 384.400 0.815 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)[nH]n1 ZINC001571238243 953227056 /nfs/dbraw/zinc/22/70/56/953227056.db2.gz XWDDJFKHMMMFJC-ZJUUUORDSA-N -1 1 384.404 0.494 20 0 GCADMM CCOc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)[nH]n1 ZINC001571238243 953227058 /nfs/dbraw/zinc/22/70/58/953227058.db2.gz XWDDJFKHMMMFJC-ZJUUUORDSA-N -1 1 384.404 0.494 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571238415 953229148 /nfs/dbraw/zinc/22/91/48/953229148.db2.gz BYTMFLAADCHCIL-RDDDGLTNSA-N -1 1 384.404 0.275 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571238415 953229150 /nfs/dbraw/zinc/22/91/50/953229150.db2.gz BYTMFLAADCHCIL-RDDDGLTNSA-N -1 1 384.404 0.275 20 0 GCADMM COc1nn(C)cc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571238460 953229158 /nfs/dbraw/zinc/22/91/58/953229158.db2.gz DEFDGSAUAFKCAB-VHSXEESVSA-N -1 1 384.404 0.114 20 0 GCADMM COc1nn(C)cc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571238460 953229160 /nfs/dbraw/zinc/22/91/60/953229160.db2.gz DEFDGSAUAFKCAB-VHSXEESVSA-N -1 1 384.404 0.114 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)nn1C ZINC001571238577 953230516 /nfs/dbraw/zinc/23/05/16/953230516.db2.gz HHZNREZOEKCTLW-VHSXEESVSA-N -1 1 384.404 0.114 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)nn1C ZINC001571238577 953230520 /nfs/dbraw/zinc/23/05/20/953230520.db2.gz HHZNREZOEKCTLW-VHSXEESVSA-N -1 1 384.404 0.114 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238663 953231398 /nfs/dbraw/zinc/23/13/98/953231398.db2.gz JPWVRXQIFCPFGN-NSHDSACASA-N -1 1 384.404 0.703 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238663 953231400 /nfs/dbraw/zinc/23/14/00/953231400.db2.gz JPWVRXQIFCPFGN-NSHDSACASA-N -1 1 384.404 0.703 20 0 GCADMM Cc1nonc1C(=O)N[C@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571238634 953231411 /nfs/dbraw/zinc/23/14/11/953231411.db2.gz ISMOANDCGIYIGR-SECBINFHSA-N -1 1 384.404 0.383 20 0 GCADMM Cc1nonc1C(=O)N[C@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571238634 953231413 /nfs/dbraw/zinc/23/14/13/953231413.db2.gz ISMOANDCGIYIGR-SECBINFHSA-N -1 1 384.404 0.383 20 0 GCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001571238640 953231480 /nfs/dbraw/zinc/23/14/80/953231480.db2.gz IXYZZWDOIKMMSZ-OLZOCXBDSA-N -1 1 384.404 0.073 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238778 953232562 /nfs/dbraw/zinc/23/25/62/953232562.db2.gz MLWNKXULVDFCDW-MWLCHTKSSA-N -1 1 384.404 0.558 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238778 953232567 /nfs/dbraw/zinc/23/25/67/953232567.db2.gz MLWNKXULVDFCDW-MWLCHTKSSA-N -1 1 384.404 0.558 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238776 953232629 /nfs/dbraw/zinc/23/26/29/953232629.db2.gz MLWNKXULVDFCDW-KOLCDFICSA-N -1 1 384.404 0.558 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238776 953232630 /nfs/dbraw/zinc/23/26/30/953232630.db2.gz MLWNKXULVDFCDW-KOLCDFICSA-N -1 1 384.404 0.558 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238801 953233228 /nfs/dbraw/zinc/23/32/28/953233228.db2.gz MZOCAPQHCJDUPV-BXKDBHETSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238801 953233230 /nfs/dbraw/zinc/23/32/30/953233230.db2.gz MZOCAPQHCJDUPV-BXKDBHETSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238803 953233545 /nfs/dbraw/zinc/23/35/45/953233545.db2.gz MZOCAPQHCJDUPV-JOYOIKCWSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1nonc1C(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238803 953233548 /nfs/dbraw/zinc/23/35/48/953233548.db2.gz MZOCAPQHCJDUPV-JOYOIKCWSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1nonc1CC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571239076 953235306 /nfs/dbraw/zinc/23/53/06/953235306.db2.gz PYDNUGNBAKJGQH-NSHDSACASA-N -1 1 384.404 0.018 20 0 GCADMM Cc1nonc1CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239085 953235806 /nfs/dbraw/zinc/23/58/06/953235806.db2.gz QATOZRQSQPYRGG-INIZCTEOSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1nonc1CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239085 953235810 /nfs/dbraw/zinc/23/58/10/953235810.db2.gz QATOZRQSQPYRGG-INIZCTEOSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1nnc(CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571239136 953236398 /nfs/dbraw/zinc/23/63/98/953236398.db2.gz QZULBVCEXRDDNT-INIZCTEOSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1nnc(CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571239136 953236399 /nfs/dbraw/zinc/23/63/99/953236399.db2.gz QZULBVCEXRDDNT-INIZCTEOSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571239279 953237806 /nfs/dbraw/zinc/23/78/06/953237806.db2.gz SAXFNXZXNZPNCO-NSHDSACASA-N -1 1 384.404 0.031 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571239279 953237809 /nfs/dbraw/zinc/23/78/09/953237809.db2.gz SAXFNXZXNZPNCO-NSHDSACASA-N -1 1 384.404 0.031 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571239497 953239671 /nfs/dbraw/zinc/23/96/71/953239671.db2.gz VLTVXXYPIWMHPN-WDEREUQCSA-N -1 1 384.404 0.030 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571239497 953239673 /nfs/dbraw/zinc/23/96/73/953239673.db2.gz VLTVXXYPIWMHPN-WDEREUQCSA-N -1 1 384.404 0.030 20 0 GCADMM COc1nn(C)cc1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239476 953239710 /nfs/dbraw/zinc/23/97/10/953239710.db2.gz VADLKKXZKAWZAR-UHFFFAOYSA-N -1 1 384.404 0.114 20 0 GCADMM COc1nn(C)cc1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239476 953239712 /nfs/dbraw/zinc/23/97/12/953239712.db2.gz VADLKKXZKAWZAR-UHFFFAOYSA-N -1 1 384.404 0.114 20 0 GCADMM Cc1nnc(CC(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)o1 ZINC001571239520 953240870 /nfs/dbraw/zinc/24/08/70/953240870.db2.gz VZVQSBKGXQULEA-NSHDSACASA-N -1 1 384.404 0.018 20 0 GCADMM Cc1nnc(CC(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)o1 ZINC001571239520 953240872 /nfs/dbraw/zinc/24/08/72/953240872.db2.gz VZVQSBKGXQULEA-NSHDSACASA-N -1 1 384.404 0.018 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571239812 953242914 /nfs/dbraw/zinc/24/29/14/953242914.db2.gz YPPDECQWXMIVNP-JTQLQIEISA-N -1 1 384.404 0.039 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571239812 953242918 /nfs/dbraw/zinc/24/29/18/953242918.db2.gz YPPDECQWXMIVNP-JTQLQIEISA-N -1 1 384.404 0.039 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239780 953242949 /nfs/dbraw/zinc/24/29/49/953242949.db2.gz XRVMJDVWTPQKJH-ZJUUUORDSA-N -1 1 384.404 0.547 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239780 953242953 /nfs/dbraw/zinc/24/29/53/953242953.db2.gz XRVMJDVWTPQKJH-ZJUUUORDSA-N -1 1 384.404 0.547 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239778 953243132 /nfs/dbraw/zinc/24/31/32/953243132.db2.gz XRVMJDVWTPQKJH-UWVGGRQHSA-N -1 1 384.404 0.547 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239778 953243133 /nfs/dbraw/zinc/24/31/33/953243133.db2.gz XRVMJDVWTPQKJH-UWVGGRQHSA-N -1 1 384.404 0.547 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)[nH]c1=O ZINC001571239848 953243374 /nfs/dbraw/zinc/24/33/74/953243374.db2.gz ZNHCZNJHENDACF-VHSXEESVSA-N -1 1 384.404 0.106 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2)c1csnn1 ZINC001571241556 953247060 /nfs/dbraw/zinc/24/70/60/953247060.db2.gz DEAFEIDMDLWVJT-UHFFFAOYSA-N -1 1 384.429 0.661 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2)c1csnn1 ZINC001571241556 953247063 /nfs/dbraw/zinc/24/70/63/953247063.db2.gz DEAFEIDMDLWVJT-UHFFFAOYSA-N -1 1 384.429 0.661 20 0 GCADMM C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001571242291 953254503 /nfs/dbraw/zinc/25/45/03/953254503.db2.gz CQKKLSGJIMYWCC-WCMHJXIUSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001571242291 953254508 /nfs/dbraw/zinc/25/45/08/953254508.db2.gz CQKKLSGJIMYWCC-WCMHJXIUSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571242270 953254707 /nfs/dbraw/zinc/25/47/07/953254707.db2.gz CLHYYBXGGRQBQK-TZMCWYRMSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571242270 953254711 /nfs/dbraw/zinc/25/47/11/953254711.db2.gz CLHYYBXGGRQBQK-TZMCWYRMSA-N -1 1 384.444 0.900 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CCCOC2)n1 ZINC001571242368 953255413 /nfs/dbraw/zinc/25/54/13/953255413.db2.gz DRZYAQZDGOUODJ-IHRRRGAJSA-N -1 1 384.444 0.571 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CCCOC2)n1 ZINC001571242368 953255417 /nfs/dbraw/zinc/25/54/17/953255417.db2.gz DRZYAQZDGOUODJ-IHRRRGAJSA-N -1 1 384.444 0.571 20 0 GCADMM CN(C(=O)[C@]12CCC[C@H]1OCC2)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571242684 953258324 /nfs/dbraw/zinc/25/83/24/953258324.db2.gz LLWMZGFUVZIUBN-WRSAYESZSA-N -1 1 384.444 0.653 20 0 GCADMM CN(C(=O)[C@]12CCC[C@H]1OCC2)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571242684 953258326 /nfs/dbraw/zinc/25/83/26/953258326.db2.gz LLWMZGFUVZIUBN-WRSAYESZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC23CCOCC3)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571242616 953258473 /nfs/dbraw/zinc/25/84/73/953258473.db2.gz KHJYQVPNQRHXCJ-UPJWGTAASA-N -1 1 384.444 0.557 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC23CCOCC3)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571242616 953258480 /nfs/dbraw/zinc/25/84/80/953258480.db2.gz KHJYQVPNQRHXCJ-UPJWGTAASA-N -1 1 384.444 0.557 20 0 GCADMM C[C@@]12CN(C(=O)[C@@H]3CCCO3)C[C@]1(C)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571242641 953258930 /nfs/dbraw/zinc/25/89/30/953258930.db2.gz KTAISMLIVISYSU-DOPJRALCSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@]12CN(C(=O)[C@@H]3CCCO3)C[C@]1(C)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571242641 953258932 /nfs/dbraw/zinc/25/89/32/953258932.db2.gz KTAISMLIVISYSU-DOPJRALCSA-N -1 1 384.444 0.511 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCO2)n1 ZINC001571242699 953259745 /nfs/dbraw/zinc/25/97/45/953259745.db2.gz LXXMVIYSAQHAPV-VNHYZAJKSA-N -1 1 384.444 0.714 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCO2)n1 ZINC001571242699 953259747 /nfs/dbraw/zinc/25/97/47/953259747.db2.gz LXXMVIYSAQHAPV-VNHYZAJKSA-N -1 1 384.444 0.714 20 0 GCADMM CC[C@@H]1CC[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)O1 ZINC001571242975 953261655 /nfs/dbraw/zinc/26/16/55/953261655.db2.gz SHQWPPBYSWEFIW-QVHKTLOISA-N -1 1 384.444 0.509 20 0 GCADMM CC[C@@H]1CC[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)O1 ZINC001571242975 953261657 /nfs/dbraw/zinc/26/16/57/953261657.db2.gz SHQWPPBYSWEFIW-QVHKTLOISA-N -1 1 384.444 0.509 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571243169 953263336 /nfs/dbraw/zinc/26/33/36/953263336.db2.gz XYEPUXPFCGDEBU-KGBXLTSLSA-N -1 1 384.444 0.731 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571243169 953263339 /nfs/dbraw/zinc/26/33/39/953263339.db2.gz XYEPUXPFCGDEBU-KGBXLTSLSA-N -1 1 384.444 0.731 20 0 GCADMM CCN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571243197 953264054 /nfs/dbraw/zinc/26/40/54/953264054.db2.gz YNKXBEIXACNLKN-JCGVRSQUSA-N -1 1 384.444 0.429 20 0 GCADMM CCN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571243197 953264058 /nfs/dbraw/zinc/26/40/58/953264058.db2.gz YNKXBEIXACNLKN-JCGVRSQUSA-N -1 1 384.444 0.429 20 0 GCADMM CNS(=O)(=O)c1ccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)s1 ZINC001571246069 953280173 /nfs/dbraw/zinc/28/01/73/953280173.db2.gz RUEOZAQMPXWEGQ-UHFFFAOYSA-N -1 1 384.468 0.828 20 0 GCADMM O=C([C@H]1CC12CCOCC2)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571247620 953284547 /nfs/dbraw/zinc/28/45/47/953284547.db2.gz AUHCFIPYLNKSAM-CHWSQXEVSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@H]1CC12CCOCC2)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571247620 953284551 /nfs/dbraw/zinc/28/45/51/953284551.db2.gz AUHCFIPYLNKSAM-CHWSQXEVSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@H]1C[C@@]12CCOC2)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571247717 953284932 /nfs/dbraw/zinc/28/49/32/953284932.db2.gz CCOFQVBVLMWCDK-FZKQIMNGSA-N -1 1 384.444 0.156 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CCOCC1 ZINC001571248060 953289052 /nfs/dbraw/zinc/28/90/52/953289052.db2.gz DCMRLPXEIUQIJG-AGUYFDCRSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CCOCC1 ZINC001571248060 953289056 /nfs/dbraw/zinc/28/90/56/953289056.db2.gz DCMRLPXEIUQIJG-AGUYFDCRSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)[C@H]1CCCO1 ZINC001571248538 953294419 /nfs/dbraw/zinc/29/44/19/953294419.db2.gz GDASQGJCHAVGJU-HBUWYVDXSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)[C@H]1CCCO1 ZINC001571248538 953294421 /nfs/dbraw/zinc/29/44/21/953294421.db2.gz GDASQGJCHAVGJU-HBUWYVDXSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571248525 953294690 /nfs/dbraw/zinc/29/46/90/953294690.db2.gz FQZXVYQJALNJHE-GSPSYOTPSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(C[C@@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571248525 953294692 /nfs/dbraw/zinc/29/46/92/953294692.db2.gz FQZXVYQJALNJHE-GSPSYOTPSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C12CCC(CC1)CC2 ZINC001571248608 953295037 /nfs/dbraw/zinc/29/50/37/953295037.db2.gz HLNLEQNMZQOWBC-CIJYEEHRSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C12CCC(CC1)CC2 ZINC001571248608 953295040 /nfs/dbraw/zinc/29/50/40/953295040.db2.gz HLNLEQNMZQOWBC-CIJYEEHRSA-N -1 1 384.444 0.293 20 0 GCADMM O=C([C@H]1CCCCO1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571248807 953297811 /nfs/dbraw/zinc/29/78/11/953297811.db2.gz JAIBHLKZYYXPGW-VNHYZAJKSA-N -1 1 384.444 0.511 20 0 GCADMM O=C([C@H]1CCCCO1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571248807 953297813 /nfs/dbraw/zinc/29/78/13/953297813.db2.gz JAIBHLKZYYXPGW-VNHYZAJKSA-N -1 1 384.444 0.511 20 0 GCADMM O=C([C@@H]1CCOC1)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571248942 953299068 /nfs/dbraw/zinc/29/90/68/953299068.db2.gz MJUOAAROODLYDM-CYBMUJFWSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1CCOC1)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571248942 953299072 /nfs/dbraw/zinc/29/90/72/953299072.db2.gz MJUOAAROODLYDM-CYBMUJFWSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(C[C@@H]1CCCOC1)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571248961 953299801 /nfs/dbraw/zinc/29/98/01/953299801.db2.gz MWQDBDAHWJDSCQ-MELADBBJSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(C[C@@H]1CCCOC1)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571248961 953299803 /nfs/dbraw/zinc/29/98/03/953299803.db2.gz MWQDBDAHWJDSCQ-MELADBBJSA-N -1 1 384.444 0.368 20 0 GCADMM O=C([C@@H]1CCCCO1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571249324 953303324 /nfs/dbraw/zinc/30/33/24/953303324.db2.gz OKJXJCYDSDUGDV-IPYPFGDCSA-N -1 1 384.444 0.511 20 0 GCADMM O=C([C@@H]1CCCCO1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571249324 953303327 /nfs/dbraw/zinc/30/33/27/953303327.db2.gz OKJXJCYDSDUGDV-IPYPFGDCSA-N -1 1 384.444 0.511 20 0 GCADMM O=C([C@H]1CCCCO1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571249326 953303333 /nfs/dbraw/zinc/30/33/33/953303333.db2.gz OKJXJCYDSDUGDV-VNHYZAJKSA-N -1 1 384.444 0.511 20 0 GCADMM O=C([C@H]1CCCCO1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571249326 953303336 /nfs/dbraw/zinc/30/33/36/953303336.db2.gz OKJXJCYDSDUGDV-VNHYZAJKSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@@H]1CCCCO1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571249365 953304627 /nfs/dbraw/zinc/30/46/27/953304627.db2.gz OWMNBRWOPGCJBB-MJBXVCDLSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@@H]1CCCCO1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571249365 953304630 /nfs/dbraw/zinc/30/46/30/953304630.db2.gz OWMNBRWOPGCJBB-MJBXVCDLSA-N -1 1 384.444 0.511 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571250376 953311479 /nfs/dbraw/zinc/31/14/79/953311479.db2.gz RALAXWOOJVBEMH-ZNMIVQPWSA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571250376 953311482 /nfs/dbraw/zinc/31/14/82/953311482.db2.gz RALAXWOOJVBEMH-ZNMIVQPWSA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571251245 953316279 /nfs/dbraw/zinc/31/62/79/953316279.db2.gz SXFVMWTXMNIMEW-RDBSUJKOSA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571251245 953316281 /nfs/dbraw/zinc/31/62/81/953316281.db2.gz SXFVMWTXMNIMEW-RDBSUJKOSA-N -1 1 384.444 0.796 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)C3=CCOCC3)C2)n1 ZINC001571251710 953318307 /nfs/dbraw/zinc/31/83/07/953318307.db2.gz UTZWYLRNZXHCCI-GOSISDBHSA-N -1 1 384.444 0.962 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)C3=CCOCC3)C2)n1 ZINC001571251710 953318311 /nfs/dbraw/zinc/31/83/11/953318311.db2.gz UTZWYLRNZXHCCI-GOSISDBHSA-N -1 1 384.444 0.962 20 0 GCADMM COc1cc(C(=O)N2CCC(C)(Nc3nccnc3-c3nnn[n-]3)CC2)on1 ZINC001571254726 953341583 /nfs/dbraw/zinc/34/15/83/953341583.db2.gz CBKOGQYCEMMAML-UHFFFAOYSA-N -1 1 385.388 0.760 20 0 GCADMM COc1cc(C(=O)N2CCC(C)(Nc3nccnc3-c3nn[n-]n3)CC2)on1 ZINC001571254726 953341585 /nfs/dbraw/zinc/34/15/85/953341585.db2.gz CBKOGQYCEMMAML-UHFFFAOYSA-N -1 1 385.388 0.760 20 0 GCADMM CCOc1nc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001571255021 953343922 /nfs/dbraw/zinc/34/39/22/953343922.db2.gz FGVYBVAJVJOQOT-MGCOHNPYSA-N -1 1 385.388 0.664 20 0 GCADMM CCOc1nc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001571255021 953343926 /nfs/dbraw/zinc/34/39/26/953343926.db2.gz FGVYBVAJVJOQOT-MGCOHNPYSA-N -1 1 385.388 0.664 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)co1 ZINC001571255006 953344209 /nfs/dbraw/zinc/34/42/09/953344209.db2.gz DTABRWJFRWWUKD-JTQLQIEISA-N -1 1 385.388 0.618 20 0 GCADMM COc1nc(C(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)co1 ZINC001571255006 953344211 /nfs/dbraw/zinc/34/42/11/953344211.db2.gz DTABRWJFRWWUKD-JTQLQIEISA-N -1 1 385.388 0.618 20 0 GCADMM COc1nc(C(=O)N[C@@H]2CC[C@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571255302 953348242 /nfs/dbraw/zinc/34/82/42/953348242.db2.gz HSEXJRVGDYVUDY-VHSXEESVSA-N 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O=S(=O)(NCCCOCC1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338727 599009309 /nfs/dbraw/zinc/00/93/09/599009309.db2.gz LTVCHUKDUIGNLW-UHFFFAOYSA-N -1 1 382.446 0.373 20 0 GCADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736199059 599019798 /nfs/dbraw/zinc/01/97/98/599019798.db2.gz MYYKSABFPUBOHJ-SNVBAGLBSA-N -1 1 387.425 0.742 20 0 GCADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736199059 599019800 /nfs/dbraw/zinc/01/98/00/599019800.db2.gz MYYKSABFPUBOHJ-SNVBAGLBSA-N -1 1 387.425 0.742 20 0 GCADMM CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736498130 599022879 /nfs/dbraw/zinc/02/28/79/599022879.db2.gz PZFFLFVERVKFIJ-UHFFFAOYSA-N -1 1 379.446 0.196 20 0 GCADMM CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736498130 599022881 /nfs/dbraw/zinc/02/28/81/599022881.db2.gz PZFFLFVERVKFIJ-UHFFFAOYSA-N -1 1 379.446 0.196 20 0 GCADMM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037410 599024220 /nfs/dbraw/zinc/02/42/20/599024220.db2.gz HJFLOTIDLRIWLO-INIZCTEOSA-N -1 1 375.458 0.199 20 0 GCADMM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037410 599024222 /nfs/dbraw/zinc/02/42/22/599024222.db2.gz HJFLOTIDLRIWLO-INIZCTEOSA-N -1 1 375.458 0.199 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000738258184 599025701 /nfs/dbraw/zinc/02/57/01/599025701.db2.gz HKPFIZBDCIRXPO-UHFFFAOYSA-N -1 1 389.370 0.811 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000738258184 599025703 /nfs/dbraw/zinc/02/57/03/599025703.db2.gz HKPFIZBDCIRXPO-UHFFFAOYSA-N -1 1 389.370 0.811 20 0 GCADMM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000737173073 599026050 /nfs/dbraw/zinc/02/60/50/599026050.db2.gz FVSOVPKKFRAWBU-UHFFFAOYSA-N -1 1 399.436 0.832 20 0 GCADMM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000737173073 599026052 /nfs/dbraw/zinc/02/60/52/599026052.db2.gz FVSOVPKKFRAWBU-UHFFFAOYSA-N -1 1 399.436 0.832 20 0 GCADMM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736885709 599028607 /nfs/dbraw/zinc/02/86/07/599028607.db2.gz BBTHIZHUVIPIQR-SNVBAGLBSA-N -1 1 387.425 0.661 20 0 GCADMM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736885709 599028608 /nfs/dbraw/zinc/02/86/08/599028608.db2.gz BBTHIZHUVIPIQR-SNVBAGLBSA-N -1 1 387.425 0.661 20 0 GCADMM CCc1nc(CN2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC000736704777 599030759 /nfs/dbraw/zinc/03/07/59/599030759.db2.gz SVHRXYGTGRRZNE-LBPRGKRZSA-N -1 1 383.416 0.602 20 0 GCADMM CCc1nc(CN2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC000736704777 599030761 /nfs/dbraw/zinc/03/07/61/599030761.db2.gz SVHRXYGTGRRZNE-LBPRGKRZSA-N -1 1 383.416 0.602 20 0 GCADMM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000736600058 599032606 /nfs/dbraw/zinc/03/26/06/599032606.db2.gz IINJRDWEWQJBBX-JTQLQIEISA-N -1 1 398.420 0.905 20 0 GCADMM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000736600058 599032607 /nfs/dbraw/zinc/03/26/07/599032607.db2.gz IINJRDWEWQJBBX-JTQLQIEISA-N -1 1 398.420 0.905 20 0 GCADMM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[C@H]1c1ccccc1 ZINC000820767914 599050860 /nfs/dbraw/zinc/05/08/60/599050860.db2.gz KDUZERPTZUWJBK-TZMCWYRMSA-N -1 1 381.440 0.894 20 0 GCADMM COc1cccc(F)c1[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821871667 599055048 /nfs/dbraw/zinc/05/50/48/599055048.db2.gz CUSGKRICNVENMN-MRVPVSSYSA-N -1 1 375.364 0.585 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(=O)c1cnn(C)c1 ZINC000737201742 599056075 /nfs/dbraw/zinc/05/60/75/599056075.db2.gz VHKCYTLDWQFZSK-UHFFFAOYSA-N -1 1 385.384 0.676 20 0 GCADMM Cc1ccc(C(C)(C)CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822227421 599062845 /nfs/dbraw/zinc/06/28/45/599062845.db2.gz ICUKHONAZRFRFY-UHFFFAOYSA-N -1 1 383.456 0.987 20 0 GCADMM C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccccc1Cl ZINC000820276164 599063744 /nfs/dbraw/zinc/06/37/44/599063744.db2.gz SZOZZBBAUOXDNI-VIFPVBQESA-N -1 1 391.819 0.797 20 0 GCADMM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738019475 599085998 /nfs/dbraw/zinc/08/59/98/599085998.db2.gz JUNNDBAMKVQJAB-CQSZACIVSA-N -1 1 393.407 0.671 20 0 GCADMM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738019475 599086002 /nfs/dbraw/zinc/08/60/02/599086002.db2.gz JUNNDBAMKVQJAB-CQSZACIVSA-N -1 1 393.407 0.671 20 0 GCADMM CCOC(=O)c1cnc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)s1 ZINC000821343932 599087854 /nfs/dbraw/zinc/08/78/54/599087854.db2.gz ZPWKQMDWMRJSBQ-UHFFFAOYSA-N -1 1 387.429 0.617 20 0 GCADMM CCOC(=O)c1cnc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)s1 ZINC000821343932 599087857 /nfs/dbraw/zinc/08/78/57/599087857.db2.gz ZPWKQMDWMRJSBQ-UHFFFAOYSA-N -1 1 387.429 0.617 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCc3nn(C)c(=O)cc3C2)c(-c2nn[n-]n2)c1C ZINC000822542191 599103862 /nfs/dbraw/zinc/10/38/62/599103862.db2.gz UUWQREZHCVZFMU-SNVBAGLBSA-N -1 1 398.427 0.556 20 0 GCADMM COC[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCO1 ZINC000736977022 599105289 /nfs/dbraw/zinc/10/52/89/599105289.db2.gz UHBYSBOLBVGHBP-LBPRGKRZSA-N -1 1 376.417 0.391 20 0 GCADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(S(N)(=O)=O)c1 ZINC000736362979 599108136 /nfs/dbraw/zinc/10/81/36/599108136.db2.gz LPFSABLBGYVRKS-ZDUSSCGKSA-N -1 1 387.425 0.790 20 0 GCADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(S(N)(=O)=O)c1 ZINC000736362979 599108138 /nfs/dbraw/zinc/10/81/38/599108138.db2.gz LPFSABLBGYVRKS-ZDUSSCGKSA-N -1 1 387.425 0.790 20 0 GCADMM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738042658 599110332 /nfs/dbraw/zinc/11/03/32/599110332.db2.gz ZGBWGIIOEKHIAC-SNVBAGLBSA-N -1 1 376.323 0.710 20 0 GCADMM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738042658 599110335 /nfs/dbraw/zinc/11/03/35/599110335.db2.gz ZGBWGIIOEKHIAC-SNVBAGLBSA-N -1 1 376.323 0.710 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc(-c3cccnc3)cc2)n(C)c1=O ZINC000822600103 599111324 /nfs/dbraw/zinc/11/13/24/599111324.db2.gz KBKHXFRXBJWNIN-UHFFFAOYSA-N -1 1 390.407 0.938 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)NC1CCCCC1 ZINC000736158805 599132327 /nfs/dbraw/zinc/13/23/27/599132327.db2.gz SEBXERAUIGLKQT-SNVBAGLBSA-N -1 1 387.400 0.966 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)NC1CCCCC1 ZINC000736158805 599132328 /nfs/dbraw/zinc/13/23/28/599132328.db2.gz SEBXERAUIGLKQT-SNVBAGLBSA-N -1 1 387.400 0.966 20 0 GCADMM CNC(=O)[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736872019 599137133 /nfs/dbraw/zinc/13/71/33/599137133.db2.gz VWDPVFJWAIYFBO-OAHLLOKOSA-N -1 1 395.379 0.022 20 0 GCADMM CNC(=O)[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736872019 599137135 /nfs/dbraw/zinc/13/71/35/599137135.db2.gz VWDPVFJWAIYFBO-OAHLLOKOSA-N -1 1 395.379 0.022 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC[C@H]1COc2ccccc2O1 ZINC000737909724 599139850 /nfs/dbraw/zinc/13/98/50/599139850.db2.gz XZULVWISMLHVSS-LBPRGKRZSA-N -1 1 396.363 0.375 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC[C@H]1COc2ccccc2O1 ZINC000737909724 599139852 /nfs/dbraw/zinc/13/98/52/599139852.db2.gz XZULVWISMLHVSS-LBPRGKRZSA-N -1 1 396.363 0.375 20 0 GCADMM COCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737016588 599141159 /nfs/dbraw/zinc/14/11/59/599141159.db2.gz DNGXXYKERZCCFW-UHFFFAOYSA-N -1 1 382.380 0.881 20 0 GCADMM COCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737016588 599141162 /nfs/dbraw/zinc/14/11/62/599141162.db2.gz DNGXXYKERZCCFW-UHFFFAOYSA-N -1 1 382.380 0.881 20 0 GCADMM CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736883717 599142480 /nfs/dbraw/zinc/14/24/80/599142480.db2.gz XQWSTCPTOIJMRJ-JTQLQIEISA-N -1 1 395.379 0.805 20 0 GCADMM CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736883717 599142482 /nfs/dbraw/zinc/14/24/82/599142482.db2.gz XQWSTCPTOIJMRJ-JTQLQIEISA-N -1 1 395.379 0.805 20 0 GCADMM CCCn1c2nc(-c3ccc(-c4nnn[n-]4)o3)n(CCOC)c2c(=O)[nH]c1=O ZINC000821143426 599154955 /nfs/dbraw/zinc/15/49/55/599154955.db2.gz VECBXRQTIWZIOD-UHFFFAOYSA-N -1 1 386.372 0.795 20 0 GCADMM CCCn1c2nc(-c3ccc(-c4nn[n-]n4)o3)n(CCOC)c2c(=O)[nH]c1=O ZINC000821143426 599154958 /nfs/dbraw/zinc/15/49/58/599154958.db2.gz VECBXRQTIWZIOD-UHFFFAOYSA-N -1 1 386.372 0.795 20 0 GCADMM CCN1CCO[C@H](CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000736567891 599164267 /nfs/dbraw/zinc/16/42/67/599164267.db2.gz GPUBRXKLYVZBCE-CYBMUJFWSA-N -1 1 389.460 0.354 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2C[C@H]2c2c(F)cccc2F)n(C)c1=O ZINC000737598080 599171751 /nfs/dbraw/zinc/17/17/51/599171751.db2.gz YFGLHVHPGWNFQR-GMSGAONNSA-N -1 1 375.339 0.510 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)=NN1c1ccccc1 ZINC000740476058 596982958 /nfs/dbraw/zinc/98/29/58/596982958.db2.gz JCHLMUXXENKXLG-SQNIBIBYSA-N -1 1 386.452 0.764 20 0 GCADMM COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000818606832 597003016 /nfs/dbraw/zinc/00/30/16/597003016.db2.gz CPSBJSSTCRRZNQ-LLVKDONJSA-N -1 1 387.458 0.679 20 0 GCADMM Cc1nc(C(=O)N[C@H](CC(C)C)C(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000262660467 597031572 /nfs/dbraw/zinc/03/15/72/597031572.db2.gz LMKBYNZYPDUPSP-SSDOTTSWSA-N -1 1 375.311 0.942 20 0 GCADMM Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC000737477163 599242128 /nfs/dbraw/zinc/24/21/28/599242128.db2.gz KOXOHYNLNXQUAP-CYBMUJFWSA-N -1 1 383.416 0.690 20 0 GCADMM Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC000737477163 599242131 /nfs/dbraw/zinc/24/21/31/599242131.db2.gz KOXOHYNLNXQUAP-CYBMUJFWSA-N -1 1 383.416 0.690 20 0 GCADMM O=C([O-])[C@H]1CC(C(=O)N2CC[C@@H](CN3CCOCC3)C2)=NN1c1ccccc1 ZINC000740476470 597125529 /nfs/dbraw/zinc/12/55/29/597125529.db2.gz NBCVGIJKRTUEBY-MAUKXSAKSA-N -1 1 386.452 0.887 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)N2CC[C@@H](CN3CCOCC3)C2)=NN1c1ccccc1 ZINC000740476472 597126864 /nfs/dbraw/zinc/12/68/64/597126864.db2.gz NBCVGIJKRTUEBY-YJBOKZPZSA-N -1 1 386.452 0.887 20 0 GCADMM Cc1nnc([C@H]2CN(C(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)CCO2)[nH]1 ZINC000818981243 597144680 /nfs/dbraw/zinc/14/46/80/597144680.db2.gz BTKJUWLPQZGQAC-HUUCEWRRSA-N -1 1 384.396 0.733 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)n1 ZINC000822609826 607273218 /nfs/dbraw/zinc/27/32/18/607273218.db2.gz WDVQMGYMHWVAEY-JQWIXIFHSA-N -1 1 386.420 0.311 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)n1 ZINC000822609826 607273219 /nfs/dbraw/zinc/27/32/19/607273219.db2.gz WDVQMGYMHWVAEY-JQWIXIFHSA-N -1 1 386.420 0.311 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000820539871 597353305 /nfs/dbraw/zinc/35/33/05/597353305.db2.gz ZIYVXQKAGWJXDI-UHFFFAOYSA-N -1 1 391.877 0.679 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2)[nH]1 ZINC000820667863 597443716 /nfs/dbraw/zinc/44/37/16/597443716.db2.gz BSQRLZIIGVWWAE-HNNXBMFYSA-N -1 1 387.392 0.960 20 0 GCADMM CS(=O)(=O)c1nc(C(=O)OC[C@@H]2CCCN2CC(=O)[O-])c2ccccn21 ZINC000818654173 597457651 /nfs/dbraw/zinc/45/76/51/597457651.db2.gz RKLBOBRGFFXSPT-NSHDSACASA-N -1 1 381.410 0.444 20 0 GCADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000262677443 597534726 /nfs/dbraw/zinc/53/47/26/597534726.db2.gz UTJCIBNDBWLIDU-ZDUSSCGKSA-N -1 1 381.454 0.816 20 0 GCADMM CCCCn1c(N)c(N(CC)C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000818171796 597535856 /nfs/dbraw/zinc/53/58/56/597535856.db2.gz FLFZVHRVUFOKJT-LLVKDONJSA-N -1 1 381.433 0.091 20 0 GCADMM CC(=O)NCCN(C(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21)[C@@H](C)C(=O)[O-] ZINC000262174574 597692408 /nfs/dbraw/zinc/69/24/08/597692408.db2.gz DRGDWPBQPPLVJF-MNOVXSKESA-N -1 1 389.412 0.119 20 0 GCADMM O=S(=O)(NCc1cccc(-n2cncn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344168 599274972 /nfs/dbraw/zinc/27/49/72/599274972.db2.gz AJPIVABNIFOLAJ-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(NCc1cccc(-n2cncn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344168 599274973 /nfs/dbraw/zinc/27/49/73/599274973.db2.gz AJPIVABNIFOLAJ-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM CCC[C@@](C)(O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821007653 607322560 /nfs/dbraw/zinc/32/25/60/607322560.db2.gz CBVIIGMUIJOICT-QGZVFWFLSA-N -1 1 375.433 0.932 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000821970943 607325552 /nfs/dbraw/zinc/32/55/52/607325552.db2.gz ULFASOTVDVMTRU-GZMMTYOYSA-N -1 1 379.446 0.138 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000823551470 607332232 /nfs/dbraw/zinc/33/22/32/607332232.db2.gz RQXTVXXLAQXHLN-LBPRGKRZSA-N -1 1 391.391 0.763 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000823551470 607332233 /nfs/dbraw/zinc/33/22/33/607332233.db2.gz RQXTVXXLAQXHLN-LBPRGKRZSA-N -1 1 391.391 0.763 20 0 GCADMM O=S(=O)(N[C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573795 607332336 /nfs/dbraw/zinc/33/23/36/607332336.db2.gz YUAPRWOXOMRIOO-LLVKDONJSA-N -1 1 396.498 0.985 20 0 GCADMM O=S(=O)(N[C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573795 607332337 /nfs/dbraw/zinc/33/23/37/607332337.db2.gz YUAPRWOXOMRIOO-LLVKDONJSA-N -1 1 396.498 0.985 20 0 GCADMM NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NCc3cccc(C(=O)[O-])c3)cc21 ZINC000821357115 598190414 /nfs/dbraw/zinc/19/04/14/598190414.db2.gz JGDSYCZDWAABNO-UHFFFAOYSA-N -1 1 381.348 0.615 20 0 GCADMM CN1CCN(C[C@H]2CN(C(=O)NCc3cccc(C(=O)[O-])c3)CCO2)CC1 ZINC000820626537 598191068 /nfs/dbraw/zinc/19/10/68/598191068.db2.gz PRPIBIJFVUEUOZ-KRWDZBQOSA-N -1 1 376.457 0.543 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(Cc3ccc(F)cc3)CC2)n(C)c1=O ZINC000737591589 598245659 /nfs/dbraw/zinc/24/56/59/598245659.db2.gz MGAONSBBJSDYGI-UHFFFAOYSA-N -1 1 399.430 0.862 20 0 GCADMM CCc1cccc2c1OCC[C@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736696526 598248284 /nfs/dbraw/zinc/24/82/84/598248284.db2.gz YHPMLNYTHMFJBE-GFCCVEGCSA-N -1 1 383.412 0.762 20 0 GCADMM COc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737096575 598259197 /nfs/dbraw/zinc/25/91/97/598259197.db2.gz WSZZLLNHPDKEPE-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM COc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737096575 598259199 /nfs/dbraw/zinc/25/91/99/598259199.db2.gz WSZZLLNHPDKEPE-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735632287 598261522 /nfs/dbraw/zinc/26/15/22/598261522.db2.gz ARLJHRMRRPTWRG-UHFFFAOYSA-N -1 1 395.445 0.503 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735632287 598261524 /nfs/dbraw/zinc/26/15/24/598261524.db2.gz ARLJHRMRRPTWRG-UHFFFAOYSA-N -1 1 395.445 0.503 20 0 GCADMM COC(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736951113 598262116 /nfs/dbraw/zinc/26/21/16/598262116.db2.gz NICUSFRWBUTKIM-UHFFFAOYSA-N -1 1 388.409 0.569 20 0 GCADMM COC(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736951113 598262117 /nfs/dbraw/zinc/26/21/17/598262117.db2.gz NICUSFRWBUTKIM-UHFFFAOYSA-N -1 1 388.409 0.569 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000737186906 598262302 /nfs/dbraw/zinc/26/23/02/598262302.db2.gz LNVNYRYDKQZWCK-UWVGGRQHSA-N -1 1 393.473 0.528 20 0 GCADMM O=C1CCCCCN1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738301128 598262430 /nfs/dbraw/zinc/26/24/30/598262430.db2.gz KUNBQDPEHNYKMX-UHFFFAOYSA-N -1 1 379.446 0.333 20 0 GCADMM O=C1CCCCCN1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738301128 598262432 /nfs/dbraw/zinc/26/24/32/598262432.db2.gz KUNBQDPEHNYKMX-UHFFFAOYSA-N -1 1 379.446 0.333 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2nccs2)CC1 ZINC000738356237 598263179 /nfs/dbraw/zinc/26/31/79/598263179.db2.gz ZQXAUSFMRUOOOS-UHFFFAOYSA-N -1 1 378.443 0.229 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2nccs2)CC1 ZINC000738356237 598263180 /nfs/dbraw/zinc/26/31/80/598263180.db2.gz ZQXAUSFMRUOOOS-UHFFFAOYSA-N -1 1 378.443 0.229 20 0 GCADMM CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736457018 598263466 /nfs/dbraw/zinc/26/34/66/598263466.db2.gz JYBYCELAOSCWRJ-UHFFFAOYSA-N -1 1 393.473 0.579 20 0 GCADMM CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736457018 598263468 /nfs/dbraw/zinc/26/34/68/598263468.db2.gz JYBYCELAOSCWRJ-UHFFFAOYSA-N -1 1 393.473 0.579 20 0 GCADMM O=S(=O)(NCCCN1CCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337408 598264223 /nfs/dbraw/zinc/26/42/23/598264223.db2.gz AJJMUWJYEBGZSL-UHFFFAOYSA-N -1 1 385.453 0.993 20 0 GCADMM O=S(=O)(NCCCN1CCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337408 598264225 /nfs/dbraw/zinc/26/42/25/598264225.db2.gz AJJMUWJYEBGZSL-UHFFFAOYSA-N -1 1 385.453 0.993 20 0 GCADMM O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345903 598265204 /nfs/dbraw/zinc/26/52/04/598265204.db2.gz RAKHMYUXAOLWML-UHFFFAOYSA-N -1 1 386.441 0.735 20 0 GCADMM O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345903 598265205 /nfs/dbraw/zinc/26/52/05/598265205.db2.gz RAKHMYUXAOLWML-UHFFFAOYSA-N -1 1 386.441 0.735 20 0 GCADMM O=S(=O)(NCc1ccccc1-n1cccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344780 598269445 /nfs/dbraw/zinc/26/94/45/598269445.db2.gz IBKHKQFWJKPGMO-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM O=S(=O)(NCc1ccccc1-n1cccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344780 598269446 /nfs/dbraw/zinc/26/94/46/598269446.db2.gz IBKHKQFWJKPGMO-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1Cc1ccccc1 ZINC000738294537 598270894 /nfs/dbraw/zinc/27/08/94/598270894.db2.gz CJSXBBWLXQEIQO-OAHLLOKOSA-N -1 1 399.436 0.341 20 0 GCADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1Cc1ccccc1 ZINC000738294537 598270896 /nfs/dbraw/zinc/27/08/96/598270896.db2.gz CJSXBBWLXQEIQO-OAHLLOKOSA-N -1 1 399.436 0.341 20 0 GCADMM C[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NC(=O)OC(C)(C)C ZINC000735987115 598271190 /nfs/dbraw/zinc/27/11/90/598271190.db2.gz RWHPASFJDMLRMK-SNVBAGLBSA-N -1 1 397.461 0.843 20 0 GCADMM C[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NC(=O)OC(C)(C)C ZINC000735987115 598271193 /nfs/dbraw/zinc/27/11/93/598271193.db2.gz RWHPASFJDMLRMK-SNVBAGLBSA-N -1 1 397.461 0.843 20 0 GCADMM CCOC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736591102 598271770 /nfs/dbraw/zinc/27/17/70/598271770.db2.gz QVSLXHOXTNUXMI-UHFFFAOYSA-N -1 1 380.430 0.662 20 0 GCADMM CCOC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736591102 598271772 /nfs/dbraw/zinc/27/17/72/598271772.db2.gz QVSLXHOXTNUXMI-UHFFFAOYSA-N -1 1 380.430 0.662 20 0 GCADMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736873119 598282931 /nfs/dbraw/zinc/28/29/31/598282931.db2.gz GFFSLYKMDLEXGI-UHFFFAOYSA-N -1 1 388.409 0.792 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCN2CCOC(C)(C)C2)cc1-c1nn[n-]n1 ZINC000737187770 598286998 /nfs/dbraw/zinc/28/69/98/598286998.db2.gz UPPXMQJQMNXJFS-UHFFFAOYSA-N -1 1 393.473 0.530 20 0 GCADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H](C)Oc3ccc(-c4nn[nH]n4)cc3)nc2n1 ZINC000737225874 598312846 /nfs/dbraw/zinc/31/28/46/598312846.db2.gz JRRBSKBWHZYIPK-VIFPVBQESA-N -1 1 381.356 0.312 20 0 GCADMM COC(=O)CSCCNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736930561 598322138 /nfs/dbraw/zinc/32/21/38/598322138.db2.gz IQPIHDKGVIUKKA-UHFFFAOYSA-N -1 1 384.443 0.325 20 0 GCADMM CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736721887 598376088 /nfs/dbraw/zinc/37/60/88/598376088.db2.gz JXGXRKLUDCDOMS-NSHDSACASA-N -1 1 389.445 0.441 20 0 GCADMM CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736721887 598376089 /nfs/dbraw/zinc/37/60/89/598376089.db2.gz JXGXRKLUDCDOMS-NSHDSACASA-N -1 1 389.445 0.441 20 0 GCADMM CC[C@H](O)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736382651 598376792 /nfs/dbraw/zinc/37/67/92/598376792.db2.gz NCOOAQRNDTVDCN-JTQLQIEISA-N -1 1 393.473 0.218 20 0 GCADMM CCc1nn(CCN2C(=O)c3ccccc3C2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706021 598379429 /nfs/dbraw/zinc/37/94/29/598379429.db2.gz SAUYHDBASKVYOI-UHFFFAOYSA-N -1 1 393.407 0.844 20 0 GCADMM CC[C@H]1C(=O)NCCN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736395028 598398342 /nfs/dbraw/zinc/39/83/42/598398342.db2.gz GKPLXDZQLRZDNZ-AWEZNQCLSA-N -1 1 397.443 0.196 20 0 GCADMM CC[C@H]1C(=O)NCCN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736395028 598398343 /nfs/dbraw/zinc/39/83/43/598398343.db2.gz GKPLXDZQLRZDNZ-AWEZNQCLSA-N -1 1 397.443 0.196 20 0 GCADMM CCO[C@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736612617 598407915 /nfs/dbraw/zinc/40/79/15/598407915.db2.gz AYMVKRMPFSJRKJ-LLVKDONJSA-N -1 1 385.384 0.959 20 0 GCADMM CCO[C@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736612617 598407917 /nfs/dbraw/zinc/40/79/17/598407917.db2.gz AYMVKRMPFSJRKJ-LLVKDONJSA-N -1 1 385.384 0.959 20 0 GCADMM CC[C@H](OC)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736380353 598410187 /nfs/dbraw/zinc/41/01/87/598410187.db2.gz FIWLPZUOZUXXQN-ZDUSSCGKSA-N -1 1 385.384 0.959 20 0 GCADMM CC[C@H](OC)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736380353 598410189 /nfs/dbraw/zinc/41/01/89/598410189.db2.gz FIWLPZUOZUXXQN-ZDUSSCGKSA-N -1 1 385.384 0.959 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(-c3ncon3)cc2)c1-c1nnn[n-]1 ZINC000737777418 598413678 /nfs/dbraw/zinc/41/36/78/598413678.db2.gz YEQQFOQQPNMYKC-UHFFFAOYSA-N -1 1 395.387 0.976 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(-c3ncon3)cc2)c1-c1nn[n-]n1 ZINC000737777418 598413679 /nfs/dbraw/zinc/41/36/79/598413679.db2.gz YEQQFOQQPNMYKC-UHFFFAOYSA-N -1 1 395.387 0.976 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)OCCNS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000737189417 598431606 /nfs/dbraw/zinc/43/16/06/598431606.db2.gz MIAXHUAQOWODPF-UHFFFAOYSA-N -1 1 398.470 0.567 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)OCCNS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000737189417 598431608 /nfs/dbraw/zinc/43/16/08/598431608.db2.gz MIAXHUAQOWODPF-UHFFFAOYSA-N -1 1 398.470 0.567 20 0 GCADMM Cc1noc(CCCNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000737535652 598455231 /nfs/dbraw/zinc/45/52/31/598455231.db2.gz VIHYWRJMMQJGLF-UHFFFAOYSA-N -1 1 386.416 0.957 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc3c(c2)OCCCO3)n(C)c1=O ZINC000737595735 598459209 /nfs/dbraw/zinc/45/92/09/598459209.db2.gz KQRNBFADTCAJJK-UHFFFAOYSA-N -1 1 385.384 0.038 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(=O)NCc1ccco1 ZINC000822005485 607358440 /nfs/dbraw/zinc/35/84/40/607358440.db2.gz RTEFMFIVFCMVPO-UHFFFAOYSA-N -1 1 399.411 0.542 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccs1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822969631 607359219 /nfs/dbraw/zinc/35/92/19/607359219.db2.gz UPYRCUYFNAKTHA-UHFFFAOYSA-N -1 1 394.438 0.735 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccs1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822969631 607359221 /nfs/dbraw/zinc/35/92/21/607359221.db2.gz UPYRCUYFNAKTHA-UHFFFAOYSA-N -1 1 394.438 0.735 20 0 GCADMM COc1ccccc1[C@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737147161 598522796 /nfs/dbraw/zinc/52/27/96/598522796.db2.gz LBTFRKMBXFUKHF-GFCCVEGCSA-N -1 1 383.412 0.614 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1N=NC(=S)N1C ZINC000737547888 598541960 /nfs/dbraw/zinc/54/19/60/598541960.db2.gz MFZONAHWWUFDQC-UHFFFAOYSA-N -1 1 385.413 0.906 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1N=NC(=S)N1C ZINC000737547888 598541961 /nfs/dbraw/zinc/54/19/61/598541961.db2.gz MFZONAHWWUFDQC-UHFFFAOYSA-N -1 1 385.413 0.906 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncc(Br)cn1 ZINC000736798413 598570945 /nfs/dbraw/zinc/57/09/45/598570945.db2.gz ZHERDQVVUBGUHR-UHFFFAOYSA-N -1 1 379.226 0.794 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCOC[C@@H]1CCOC1 ZINC000737201530 598590725 /nfs/dbraw/zinc/59/07/25/598590725.db2.gz UDZOWADTSIJBSL-CYBMUJFWSA-N -1 1 390.444 0.686 20 0 GCADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737769519 598594002 /nfs/dbraw/zinc/59/40/02/598594002.db2.gz MJWZJAPUAWOSFR-UHFFFAOYSA-N -1 1 398.401 0.454 20 0 GCADMM COc1ccc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1F ZINC000737090918 598612846 /nfs/dbraw/zinc/61/28/46/598612846.db2.gz WKKXGLXVPBZXPM-UHFFFAOYSA-N -1 1 375.364 0.066 20 0 GCADMM CCOCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736609612 598621772 /nfs/dbraw/zinc/62/17/72/598621772.db2.gz DAEYIDWPWJBSOF-UHFFFAOYSA-N -1 1 385.384 0.961 20 0 GCADMM CCOCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736609612 598621774 /nfs/dbraw/zinc/62/17/74/598621774.db2.gz DAEYIDWPWJBSOF-UHFFFAOYSA-N -1 1 385.384 0.961 20 0 GCADMM Cn1c2ccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)cc2oc1=O ZINC000737592337 598634132 /nfs/dbraw/zinc/63/41/32/598634132.db2.gz ZVAPIZUXSQROFH-UHFFFAOYSA-N -1 1 398.387 0.371 20 0 GCADMM Cn1c2ccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)cc2oc1=O ZINC000737592337 598634133 /nfs/dbraw/zinc/63/41/33/598634133.db2.gz ZVAPIZUXSQROFH-UHFFFAOYSA-N -1 1 398.387 0.371 20 0 GCADMM CCc1nn(CCc2nnnn2-c2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706987 598643957 /nfs/dbraw/zinc/64/39/57/598643957.db2.gz NWFZYAZSLTVBHU-UHFFFAOYSA-N -1 1 392.427 0.767 20 0 GCADMM NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737744604 598663975 /nfs/dbraw/zinc/66/39/75/598663975.db2.gz MRJCZGSLRGHFPF-NSHDSACASA-N -1 1 385.409 0.115 20 0 GCADMM NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737744604 598663976 /nfs/dbraw/zinc/66/39/76/598663976.db2.gz MRJCZGSLRGHFPF-NSHDSACASA-N -1 1 385.409 0.115 20 0 GCADMM COc1cc2c(cc1OC)CN(C(=O)Cn1cccc(-c3nn[n-]n3)c1=O)CC2 ZINC000737056681 598676017 /nfs/dbraw/zinc/67/60/17/598676017.db2.gz YCWISPLTXYAZIZ-UHFFFAOYSA-N -1 1 396.407 0.631 20 0 GCADMM CCNC(=O)CCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736573988 598683291 /nfs/dbraw/zinc/68/32/91/598683291.db2.gz MBBKUAWEBDDFBE-UHFFFAOYSA-N -1 1 388.432 0.297 20 0 GCADMM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735684613 598686174 /nfs/dbraw/zinc/68/61/74/598686174.db2.gz PYCJECBMAAHKMH-UHFFFAOYSA-N -1 1 382.421 0.495 20 0 GCADMM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736593867 598686653 /nfs/dbraw/zinc/68/66/53/598686653.db2.gz LQBQHCJDKGGBAZ-JTQLQIEISA-N -1 1 383.405 0.970 20 0 GCADMM O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738338242 598687758 /nfs/dbraw/zinc/68/77/58/598687758.db2.gz DXCOUIVCYDWXIR-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737619584 598690800 /nfs/dbraw/zinc/69/08/00/598690800.db2.gz WCLYIUHDCPCBED-SNVBAGLBSA-N -1 1 392.420 0.703 20 0 GCADMM O=S(=O)(NCc1cccnc1-n1ccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345897 598690904 /nfs/dbraw/zinc/69/09/04/598690904.db2.gz QWINNEGANNPZCJ-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(NCc1cccnc1-n1ccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345897 598690906 /nfs/dbraw/zinc/69/09/06/598690906.db2.gz QWINNEGANNPZCJ-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=C(NCc1nn[n-]n1)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000738122878 598697789 /nfs/dbraw/zinc/69/77/89/598697789.db2.gz JULBLWYQEHEPGG-UHFFFAOYSA-N -1 1 377.368 0.889 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCCS(=O)(=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737548325 598708044 /nfs/dbraw/zinc/70/80/44/598708044.db2.gz OEOMADBHLQTYIT-SNVBAGLBSA-N -1 1 382.446 0.524 20 0 GCADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C(N)=O ZINC000737273734 598730703 /nfs/dbraw/zinc/73/07/03/598730703.db2.gz FHOQBQAIAPLZGY-UHFFFAOYSA-N -1 1 384.404 0.334 20 0 GCADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C(N)=O ZINC000737273734 598730704 /nfs/dbraw/zinc/73/07/04/598730704.db2.gz FHOQBQAIAPLZGY-UHFFFAOYSA-N -1 1 384.404 0.334 20 0 GCADMM CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735636015 598767359 /nfs/dbraw/zinc/76/73/59/598767359.db2.gz MXRCOPFYYTWAII-UHFFFAOYSA-N -1 1 383.434 0.455 20 0 GCADMM CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735636015 598767361 /nfs/dbraw/zinc/76/73/61/598767361.db2.gz MXRCOPFYYTWAII-UHFFFAOYSA-N -1 1 383.434 0.455 20 0 GCADMM CC(C)(C)OC(=O)NCc1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cs1 ZINC000735640076 598778728 /nfs/dbraw/zinc/77/87/28/598778728.db2.gz WSSPJHONUVOPOS-UHFFFAOYSA-N -1 1 391.417 0.815 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCC[S@@](=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000737186078 598780055 /nfs/dbraw/zinc/78/00/55/598780055.db2.gz FZBQVNTVRISZDX-RUZDIDTESA-N -1 1 384.487 0.966 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738352938 599301890 /nfs/dbraw/zinc/30/18/90/599301890.db2.gz CNVCKZLAFKFDLA-GFCCVEGCSA-N -1 1 398.876 0.615 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000737486854 599315399 /nfs/dbraw/zinc/31/53/99/599315399.db2.gz FTEORTRAMOOHST-WFASDCNBSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000737486854 599315403 /nfs/dbraw/zinc/31/54/03/599315403.db2.gz FTEORTRAMOOHST-WFASDCNBSA-N -1 1 384.444 0.736 20 0 GCADMM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821592504 599336191 /nfs/dbraw/zinc/33/61/91/599336191.db2.gz JBHMSBNQMDBMPU-SECBINFHSA-N -1 1 391.862 0.328 20 0 GCADMM NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000822864534 599338826 /nfs/dbraw/zinc/33/88/26/599338826.db2.gz CUNUSRGPVKHFOR-UHFFFAOYSA-N -1 1 384.849 0.796 20 0 GCADMM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000819803985 599339426 /nfs/dbraw/zinc/33/94/26/599339426.db2.gz RZIJTUQOFWVJSF-LLVKDONJSA-N -1 1 382.421 0.543 20 0 GCADMM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000819803985 599339429 /nfs/dbraw/zinc/33/94/29/599339429.db2.gz RZIJTUQOFWVJSF-LLVKDONJSA-N -1 1 382.421 0.543 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CN(c3ccccc3)C(=O)O2)c1=O ZINC000736712786 599340158 /nfs/dbraw/zinc/34/01/58/599340158.db2.gz CBWLTHKBDCVNEM-GFCCVEGCSA-N -1 1 383.368 0.235 20 0 GCADMM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000737022783 599343707 /nfs/dbraw/zinc/34/37/07/599343707.db2.gz BBUODYKXMSCXIP-UHFFFAOYSA-N -1 1 385.388 0.353 20 0 GCADMM CCOC(=O)C(C)(C)NCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736586088 599357382 /nfs/dbraw/zinc/35/73/82/599357382.db2.gz LYHASOMBCAGJAZ-UHFFFAOYSA-N -1 1 398.427 0.922 20 0 GCADMM CCOC(=O)C(C)(C)NCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736586088 599357383 /nfs/dbraw/zinc/35/73/83/599357383.db2.gz LYHASOMBCAGJAZ-UHFFFAOYSA-N -1 1 398.427 0.922 20 0 GCADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)N1c1ccccc1 ZINC000820667419 599361940 /nfs/dbraw/zinc/36/19/40/599361940.db2.gz MEEARCXVUJFSNX-IAQYHMDHSA-N -1 1 399.436 0.734 20 0 GCADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)N1c1ccccc1 ZINC000820667419 599361944 /nfs/dbraw/zinc/36/19/44/599361944.db2.gz MEEARCXVUJFSNX-IAQYHMDHSA-N -1 1 399.436 0.734 20 0 GCADMM CCO[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000821346382 599366949 /nfs/dbraw/zinc/36/69/49/599366949.db2.gz HAFFVYNNWARCFF-SECBINFHSA-N -1 1 394.417 0.563 20 0 GCADMM CCO[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821346382 599366950 /nfs/dbraw/zinc/36/69/50/599366950.db2.gz HAFFVYNNWARCFF-SECBINFHSA-N -1 1 394.417 0.563 20 0 GCADMM O=S(=O)(Cc1ccccc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738328080 599398923 /nfs/dbraw/zinc/39/89/23/599398923.db2.gz CRHHTEAXRVMNBG-UHFFFAOYSA-N -1 1 385.453 0.914 20 0 GCADMM O=S(=O)(Cc1ccccc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738328080 599398926 /nfs/dbraw/zinc/39/89/26/599398926.db2.gz CRHHTEAXRVMNBG-UHFFFAOYSA-N -1 1 385.453 0.914 20 0 GCADMM CN(CCO)S(=O)(=O)c1ccccc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000821602637 599439831 /nfs/dbraw/zinc/43/98/31/599439831.db2.gz LROKDRSTMWYRDM-UHFFFAOYSA-N -1 1 392.441 0.362 20 0 GCADMM CN(CCO)S(=O)(=O)c1ccccc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000821602637 599439832 /nfs/dbraw/zinc/43/98/32/599439832.db2.gz LROKDRSTMWYRDM-UHFFFAOYSA-N -1 1 392.441 0.362 20 0 GCADMM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736224808 599451205 /nfs/dbraw/zinc/45/12/05/599451205.db2.gz NPRAKZLDCHKWBF-RKDXNWHRSA-N -1 1 389.434 0.202 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1C ZINC000820637514 599492107 /nfs/dbraw/zinc/49/21/07/599492107.db2.gz YSDJBKYQKKYXMX-ZDUSSCGKSA-N -1 1 389.441 0.454 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1C ZINC000820637514 599492108 /nfs/dbraw/zinc/49/21/08/599492108.db2.gz YSDJBKYQKKYXMX-ZDUSSCGKSA-N -1 1 389.441 0.454 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820635259 599492189 /nfs/dbraw/zinc/49/21/89/599492189.db2.gz LGNYCFFVMQNUOD-LBPRGKRZSA-N -1 1 375.414 0.111 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820635259 599492191 /nfs/dbraw/zinc/49/21/91/599492191.db2.gz LGNYCFFVMQNUOD-LBPRGKRZSA-N -1 1 375.414 0.111 20 0 GCADMM COCC[C@](C)(O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821685766 599498429 /nfs/dbraw/zinc/49/84/29/599498429.db2.gz OWTDMRXBPDWNGK-KRWDZBQOSA-N -1 1 378.433 0.420 20 0 GCADMM Cc1ccccc1[C@@H]1C[C@H](C)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000737424110 599529343 /nfs/dbraw/zinc/52/93/43/599529343.db2.gz RSSKIOWLCNFAEU-QWHCGFSZSA-N -1 1 381.440 0.955 20 0 GCADMM Cn1cc(N2CC[C@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2=O)cn1 ZINC000822680434 599562424 /nfs/dbraw/zinc/56/24/24/599562424.db2.gz OLHVGJIXEYYJIE-AWEZNQCLSA-N -1 1 375.396 0.788 20 0 GCADMM Cn1cc(N2CC[C@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2=O)cn1 ZINC000822680434 599562425 /nfs/dbraw/zinc/56/24/25/599562425.db2.gz OLHVGJIXEYYJIE-AWEZNQCLSA-N -1 1 375.396 0.788 20 0 GCADMM Cn1cc(N2CC[C@@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2=O)cn1 ZINC000822680437 599562611 /nfs/dbraw/zinc/56/26/11/599562611.db2.gz OLHVGJIXEYYJIE-CQSZACIVSA-N -1 1 375.396 0.788 20 0 GCADMM Cn1cc(N2CC[C@@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2=O)cn1 ZINC000822680437 599562613 /nfs/dbraw/zinc/56/26/13/599562613.db2.gz OLHVGJIXEYYJIE-CQSZACIVSA-N -1 1 375.396 0.788 20 0 GCADMM CCCOc1ccc2c(c1)CCN(c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC000821133898 607384964 /nfs/dbraw/zinc/38/49/64/607384964.db2.gz JWELPQMUSWLLSY-UHFFFAOYSA-N -1 1 397.439 0.616 20 0 GCADMM O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCCC1 ZINC000822987557 599634736 /nfs/dbraw/zinc/63/47/36/599634736.db2.gz ZJJORLXSSLYZGZ-CQSZACIVSA-N -1 1 385.428 0.505 20 0 GCADMM O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCCC1 ZINC000822987557 599634737 /nfs/dbraw/zinc/63/47/37/599634737.db2.gz ZJJORLXSSLYZGZ-CQSZACIVSA-N -1 1 385.428 0.505 20 0 GCADMM CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000819933229 599661379 /nfs/dbraw/zinc/66/13/79/599661379.db2.gz KHFIEOZDBQFNFP-ZDUSSCGKSA-N -1 1 388.384 0.997 20 0 GCADMM CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000819933229 599661380 /nfs/dbraw/zinc/66/13/80/599661380.db2.gz KHFIEOZDBQFNFP-ZDUSSCGKSA-N -1 1 388.384 0.997 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc([C@@H](C)OCC(C)C)no2)c1=O ZINC000821565545 599689825 /nfs/dbraw/zinc/68/98/25/599689825.db2.gz XYZBYLQYNYPRAH-SNVBAGLBSA-N -1 1 390.404 0.375 20 0 GCADMM Cc1nc(C)n([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000822431985 599694788 /nfs/dbraw/zinc/69/47/88/599694788.db2.gz RYWHONXGJVYJKN-LBPRGKRZSA-N -1 1 389.445 0.496 20 0 GCADMM Cc1nc(C)n([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000822431985 599694789 /nfs/dbraw/zinc/69/47/89/599694789.db2.gz RYWHONXGJVYJKN-LBPRGKRZSA-N -1 1 389.445 0.496 20 0 GCADMM Cc1nc(C)n([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000822431984 599694858 /nfs/dbraw/zinc/69/48/58/599694858.db2.gz RYWHONXGJVYJKN-GFCCVEGCSA-N -1 1 389.445 0.496 20 0 GCADMM Cc1nc(C)n([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000822431984 599694859 /nfs/dbraw/zinc/69/48/59/599694859.db2.gz RYWHONXGJVYJKN-GFCCVEGCSA-N -1 1 389.445 0.496 20 0 GCADMM CNC(=O)CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821632745 599694906 /nfs/dbraw/zinc/69/49/06/599694906.db2.gz HLZAAQKPGSQZCQ-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM CCN(CC)C(=O)CN1CCCN(c2cc(C)nc3nc(C(=O)[O-])nn32)CC1 ZINC000737079665 599705017 /nfs/dbraw/zinc/70/50/17/599705017.db2.gz KKLZUCDWJGTYMW-UHFFFAOYSA-N -1 1 389.460 0.511 20 0 GCADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3C(=O)[O-])cnc21 ZINC000068321713 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JZXHQQGVAAWFAE-QGZVFWFLSA-N -1 1 399.469 0.681 20 0 GCADMM C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCSC[C@H]1CC(=O)[O-] ZINC000825990402 601926498 /nfs/dbraw/zinc/92/64/98/601926498.db2.gz MAMHBYNNPSBLCZ-ZIAGYGMSSA-N -1 1 395.481 0.845 20 0 GCADMM Cc1ccc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC000832943515 601945541 /nfs/dbraw/zinc/94/55/41/601945541.db2.gz DHWLXARWAVQFCY-KRWDZBQOSA-N -1 1 383.470 0.980 20 0 GCADMM COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1C(=O)[O-] ZINC000831394939 601977233 /nfs/dbraw/zinc/97/72/33/601977233.db2.gz WROKBPZGHWXYDA-BMIGLBTASA-N -1 1 389.408 0.709 20 0 GCADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000832901395 601978306 /nfs/dbraw/zinc/97/83/06/601978306.db2.gz PDMXFPLECFNTSU-MLGOLLRUSA-N -1 1 375.425 0.996 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2)[nH]1 ZINC000831188818 602030270 /nfs/dbraw/zinc/03/02/70/602030270.db2.gz JROPIZOCXDEUNJ-LJQANCHMSA-N -1 1 387.392 0.818 20 0 GCADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000831243174 602063437 /nfs/dbraw/zinc/06/34/37/602063437.db2.gz VQSPRRRDTDXSAW-MEBBXXQBSA-N -1 1 382.438 0.932 20 0 GCADMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737624568 602116786 /nfs/dbraw/zinc/11/67/86/602116786.db2.gz YJQXGYGRCZRSKE-INIZCTEOSA-N -1 1 377.441 0.725 20 0 GCADMM c1cc(CN2CCc3ncnc(N4CCOCC4)c3C2)cc(-c2nnn[n-]2)n1 ZINC000826515595 607549656 /nfs/dbraw/zinc/54/96/56/607549656.db2.gz DKJFCRFKUITCMQ-UHFFFAOYSA-N -1 1 379.428 0.447 20 0 GCADMM c1cc(CN2CCc3ncnc(N4CCOCC4)c3C2)cc(-c2nn[n-]n2)n1 ZINC000826515595 607549658 /nfs/dbraw/zinc/54/96/58/607549658.db2.gz DKJFCRFKUITCMQ-UHFFFAOYSA-N -1 1 379.428 0.447 20 0 GCADMM CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000311894849 602327100 /nfs/dbraw/zinc/32/71/00/602327100.db2.gz BIRVNRULGCNMIR-HNNXBMFYSA-N -1 1 378.454 0.863 20 0 GCADMM CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000311894849 602327102 /nfs/dbraw/zinc/32/71/02/602327102.db2.gz BIRVNRULGCNMIR-HNNXBMFYSA-N -1 1 378.454 0.863 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn2c1CCCC2 ZINC000825000739 607565556 /nfs/dbraw/zinc/56/55/56/607565556.db2.gz UFFNDQGVSPWPOF-LBPRGKRZSA-N -1 1 394.443 0.540 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn2c1CCCC2 ZINC000825000739 607565557 /nfs/dbraw/zinc/56/55/57/607565557.db2.gz UFFNDQGVSPWPOF-LBPRGKRZSA-N -1 1 394.443 0.540 20 0 GCADMM CCCNC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825328750 607578627 /nfs/dbraw/zinc/57/86/27/607578627.db2.gz WYROCVJYSLODKG-UHFFFAOYSA-N -1 1 392.363 0.690 20 0 GCADMM O=C(C1CC1)N1CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826398182 607582549 /nfs/dbraw/zinc/58/25/49/607582549.db2.gz RLSKKPUPVJMLAL-UHFFFAOYSA-N -1 1 394.432 0.685 20 0 GCADMM O=C(C1CC1)N1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826398182 607582551 /nfs/dbraw/zinc/58/25/51/607582551.db2.gz RLSKKPUPVJMLAL-UHFFFAOYSA-N -1 1 394.432 0.685 20 0 GCADMM NC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826393705 607584086 /nfs/dbraw/zinc/58/40/86/607584086.db2.gz FSWHOCMZJYSOFW-UHFFFAOYSA-N -1 1 376.373 0.583 20 0 GCADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)N1CCOCC1 ZINC000824428446 607584448 /nfs/dbraw/zinc/58/44/48/607584448.db2.gz RYVJBMSZWVJYID-JTQLQIEISA-N -1 1 386.865 0.519 20 0 GCADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)N1CCOCC1 ZINC000824428446 607584450 /nfs/dbraw/zinc/58/44/50/607584450.db2.gz RYVJBMSZWVJYID-JTQLQIEISA-N -1 1 386.865 0.519 20 0 GCADMM CN(C)c1ncccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825887942 607587067 /nfs/dbraw/zinc/58/70/67/607587067.db2.gz LWTIDBYYQKJHMU-UHFFFAOYSA-N -1 1 377.405 0.945 20 0 GCADMM CN(C)c1ncccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825887942 607587068 /nfs/dbraw/zinc/58/70/68/607587068.db2.gz LWTIDBYYQKJHMU-UHFFFAOYSA-N -1 1 377.405 0.945 20 0 GCADMM COC1(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCOCC1 ZINC000826143535 607587185 /nfs/dbraw/zinc/58/71/85/607587185.db2.gz DPQPLNUKWMBMIH-UHFFFAOYSA-N -1 1 390.444 0.829 20 0 GCADMM CCN(CC)C(=O)CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825406098 607588983 /nfs/dbraw/zinc/58/89/83/607588983.db2.gz JJXIFVOGZSYLOA-UHFFFAOYSA-N -1 1 384.437 0.933 20 0 GCADMM CCN(CC)C(=O)CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825406098 607588984 /nfs/dbraw/zinc/58/89/84/607588984.db2.gz JJXIFVOGZSYLOA-UHFFFAOYSA-N -1 1 384.437 0.933 20 0 GCADMM CN(C)C(=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825840914 607590064 /nfs/dbraw/zinc/59/00/64/607590064.db2.gz RSTQIBXAIAGWKG-UHFFFAOYSA-N -1 1 392.363 0.642 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCCCC1 ZINC000826408189 607592821 /nfs/dbraw/zinc/59/28/21/607592821.db2.gz UACRVBKARVXJBT-UHFFFAOYSA-N -1 1 382.421 0.687 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)N1CCCCC1 ZINC000826408189 607592822 /nfs/dbraw/zinc/59/28/22/607592822.db2.gz UACRVBKARVXJBT-UHFFFAOYSA-N -1 1 382.421 0.687 20 0 GCADMM O=C(Cn1nc(-c2ccccc2)oc1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826425855 607596765 /nfs/dbraw/zinc/59/67/65/607596765.db2.gz WRJLMWYUGPKEIQ-UHFFFAOYSA-N -1 1 379.336 0.822 20 0 GCADMM O=C(Cn1nc(-c2ccccc2)oc1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826425855 607596767 /nfs/dbraw/zinc/59/67/67/607596767.db2.gz WRJLMWYUGPKEIQ-UHFFFAOYSA-N -1 1 379.336 0.822 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000826231962 607597842 /nfs/dbraw/zinc/59/78/42/607597842.db2.gz WSSYOROJMPKBBE-CYZMBNFOSA-N -1 1 384.396 0.869 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000826231962 607597843 /nfs/dbraw/zinc/59/78/43/607597843.db2.gz WSSYOROJMPKBBE-CYZMBNFOSA-N -1 1 384.396 0.869 20 0 GCADMM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826424698 607598533 /nfs/dbraw/zinc/59/85/33/607598533.db2.gz YVCOKXWXTHQKDA-UHFFFAOYSA-N -1 1 379.336 0.421 20 0 GCADMM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826424698 607598535 /nfs/dbraw/zinc/59/85/35/607598535.db2.gz YVCOKXWXTHQKDA-UHFFFAOYSA-N -1 1 379.336 0.421 20 0 GCADMM O=S(=O)(NCCn1cncn1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491316 607599404 /nfs/dbraw/zinc/59/94/04/607599404.db2.gz COTDJOINWWCLQS-UHFFFAOYSA-N -1 1 388.335 0.456 20 0 GCADMM O=C(CCCS(=O)(=O)N1CCCC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826406721 607603233 /nfs/dbraw/zinc/60/32/33/607603233.db2.gz JZRUJNAJODBOSD-UHFFFAOYSA-N -1 1 380.430 0.511 20 0 GCADMM O=C(CCCS(=O)(=O)N1CCCC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826406721 607603234 /nfs/dbraw/zinc/60/32/34/607603234.db2.gz JZRUJNAJODBOSD-UHFFFAOYSA-N -1 1 380.430 0.511 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCC[C@@H]1C1OCCO1 ZINC000826495046 607604093 /nfs/dbraw/zinc/60/40/93/607604093.db2.gz ARMMHLWFLUZAGL-GFCCVEGCSA-N -1 1 383.405 0.922 20 0 GCADMM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826098746 607604702 /nfs/dbraw/zinc/60/47/02/607604702.db2.gz NKAQYSOWDIQYQB-VIFPVBQESA-N -1 1 383.405 0.968 20 0 GCADMM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826098746 607604703 /nfs/dbraw/zinc/60/47/03/607604703.db2.gz NKAQYSOWDIQYQB-VIFPVBQESA-N -1 1 383.405 0.968 20 0 GCADMM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826098811 607604763 /nfs/dbraw/zinc/60/47/63/607604763.db2.gz PSPWUKZYEURXAB-VIFPVBQESA-N -1 1 383.405 0.968 20 0 GCADMM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826098810 607604924 /nfs/dbraw/zinc/60/49/24/607604924.db2.gz PSPWUKZYEURXAB-SECBINFHSA-N -1 1 383.405 0.968 20 0 GCADMM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825838789 607604927 /nfs/dbraw/zinc/60/49/27/607604927.db2.gz CFOFBOCWRLUVMT-JTQLQIEISA-N -1 1 386.434 0.158 20 0 GCADMM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000826329191 607605088 /nfs/dbraw/zinc/60/50/88/607605088.db2.gz SVUXKRCQKKZSSE-JTQLQIEISA-N -1 1 378.393 0.199 20 0 GCADMM CS(=O)(=O)Nc1cccc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826223851 607605651 /nfs/dbraw/zinc/60/56/51/607605651.db2.gz CHVVVBUZZPXVNS-UHFFFAOYSA-N -1 1 388.409 0.919 20 0 GCADMM CS(=O)(=O)Nc1cccc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826223851 607605653 /nfs/dbraw/zinc/60/56/53/607605653.db2.gz CHVVVBUZZPXVNS-UHFFFAOYSA-N -1 1 388.409 0.919 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](C2OCCO2)C1 ZINC000826496041 607605866 /nfs/dbraw/zinc/60/58/66/607605866.db2.gz JFUPOXCSPUTLQH-JTQLQIEISA-N -1 1 383.405 0.779 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](C2OCCO2)C1 ZINC000826496041 607605868 /nfs/dbraw/zinc/60/58/68/607605868.db2.gz JFUPOXCSPUTLQH-JTQLQIEISA-N -1 1 383.405 0.779 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](C2OCCO2)C1 ZINC000826496042 607606040 /nfs/dbraw/zinc/60/60/40/607606040.db2.gz JFUPOXCSPUTLQH-SNVBAGLBSA-N -1 1 383.405 0.779 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](C2OCCO2)C1 ZINC000826496042 607606042 /nfs/dbraw/zinc/60/60/42/607606042.db2.gz JFUPOXCSPUTLQH-SNVBAGLBSA-N -1 1 383.405 0.779 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824103872 607606205 /nfs/dbraw/zinc/60/62/05/607606205.db2.gz KMJVNGXKKNVWTO-DGCLKSJQSA-N -1 1 390.400 0.675 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824103872 607606206 /nfs/dbraw/zinc/60/62/06/607606206.db2.gz KMJVNGXKKNVWTO-DGCLKSJQSA-N -1 1 390.400 0.675 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824103873 607606634 /nfs/dbraw/zinc/60/66/34/607606634.db2.gz KMJVNGXKKNVWTO-WCQYABFASA-N -1 1 390.400 0.675 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824103873 607606636 /nfs/dbraw/zinc/60/66/36/607606636.db2.gz KMJVNGXKKNVWTO-WCQYABFASA-N -1 1 390.400 0.675 20 0 GCADMM C[C@]1(c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)NC(=O)NC1=O ZINC000824844306 607609584 /nfs/dbraw/zinc/60/95/84/607609584.db2.gz VOFCBDWQZODGJS-GOSISDBHSA-N -1 1 393.363 0.673 20 0 GCADMM C[C@]1(c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)NC(=O)NC1=O ZINC000824844306 607609585 /nfs/dbraw/zinc/60/95/85/607609585.db2.gz VOFCBDWQZODGJS-GOSISDBHSA-N -1 1 393.363 0.673 20 0 GCADMM CC(C)[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1CCCS1(=O)=O ZINC000824185316 607613116 /nfs/dbraw/zinc/61/31/16/607613116.db2.gz VQRZZYHCSMJRMD-CYBMUJFWSA-N -1 1 380.430 0.365 20 0 GCADMM CC(C)[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1CCCS1(=O)=O ZINC000824185316 607613117 /nfs/dbraw/zinc/61/31/17/607613117.db2.gz VQRZZYHCSMJRMD-CYBMUJFWSA-N -1 1 380.430 0.365 20 0 GCADMM COCCN(CC(=O)OC)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826157794 607615523 /nfs/dbraw/zinc/61/55/23/607615523.db2.gz MDMAWZRYJCJGTJ-UHFFFAOYSA-N -1 1 389.821 0.330 20 0 GCADMM COCCN(CC(=O)OC)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826157794 607615524 /nfs/dbraw/zinc/61/55/24/607615524.db2.gz MDMAWZRYJCJGTJ-UHFFFAOYSA-N -1 1 389.821 0.330 20 0 GCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCC1 ZINC000824342270 607616009 /nfs/dbraw/zinc/61/60/09/607616009.db2.gz OGVIFRPNMIKBHI-AWEZNQCLSA-N -1 1 396.448 0.931 20 0 GCADMM CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCN(C(=O)[O-])C3)cn2)CC1 ZINC000737529011 603248741 /nfs/dbraw/zinc/24/87/41/603248741.db2.gz GZRWFOAOELYKPJ-OAHLLOKOSA-N -1 1 376.461 0.775 20 0 GCADMM CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000826090792 607618616 /nfs/dbraw/zinc/61/86/16/607618616.db2.gz PFLJBPBHGOODQB-UHFFFAOYSA-N -1 1 390.404 0.585 20 0 GCADMM O=C([O-])N1CCC[C@@H](NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000739401536 603304542 /nfs/dbraw/zinc/30/45/42/603304542.db2.gz CGRXXELQHNRLOG-SJORKVTESA-N -1 1 376.457 0.847 20 0 GCADMM O=S(=O)(N[C@H](CO)Cc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487410 607623861 /nfs/dbraw/zinc/62/38/61/607623861.db2.gz NWRZDEUVSLTGLD-LBPRGKRZSA-N -1 1 377.401 0.888 20 0 GCADMM O=S(=O)(N[C@H](CO)Cc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487410 607623863 /nfs/dbraw/zinc/62/38/63/607623863.db2.gz NWRZDEUVSLTGLD-LBPRGKRZSA-N -1 1 377.401 0.888 20 0 GCADMM COc1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1O ZINC000826179614 607626096 /nfs/dbraw/zinc/62/60/96/607626096.db2.gz WGZKCFZIMKUAAS-UHFFFAOYSA-N -1 1 392.397 0.463 20 0 GCADMM COc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1O ZINC000826179614 607626097 /nfs/dbraw/zinc/62/60/97/607626097.db2.gz WGZKCFZIMKUAAS-UHFFFAOYSA-N -1 1 392.397 0.463 20 0 GCADMM O=S(=O)(NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489771 607627266 /nfs/dbraw/zinc/62/72/66/607627266.db2.gz ZFIVKQFBTTZLHP-LBPRGKRZSA-N -1 1 392.416 0.530 20 0 GCADMM O=S(=O)(NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489771 607627267 /nfs/dbraw/zinc/62/72/67/607627267.db2.gz ZFIVKQFBTTZLHP-LBPRGKRZSA-N -1 1 392.416 0.530 20 0 GCADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1O ZINC000826192836 607627649 /nfs/dbraw/zinc/62/76/49/607627649.db2.gz DRVAMRXDYLBIFV-UHFFFAOYSA-N -1 1 376.398 0.797 20 0 GCADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1O ZINC000826192836 607627651 /nfs/dbraw/zinc/62/76/51/607627651.db2.gz DRVAMRXDYLBIFV-UHFFFAOYSA-N -1 1 376.398 0.797 20 0 GCADMM O=S(=O)(N[C@@H](CO)c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487502 607628610 /nfs/dbraw/zinc/62/86/10/607628610.db2.gz QGDXVZIEDCJBGM-ZDUSSCGKSA-N -1 1 382.352 0.552 20 0 GCADMM O=S(=O)(N[C@@H](CO)c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487502 607628611 /nfs/dbraw/zinc/62/86/11/607628611.db2.gz QGDXVZIEDCJBGM-ZDUSSCGKSA-N -1 1 382.352 0.552 20 0 GCADMM O=S(=O)(NC[C@@H](O)COCC1CC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488964 607631378 /nfs/dbraw/zinc/63/13/78/607631378.db2.gz DNXJDGAWMNEUQL-SNVBAGLBSA-N -1 1 387.849 0.586 20 0 GCADMM O=S(=O)(NC[C@@H](O)COCC1CC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488964 607631380 /nfs/dbraw/zinc/63/13/80/607631380.db2.gz DNXJDGAWMNEUQL-SNVBAGLBSA-N -1 1 387.849 0.586 20 0 GCADMM O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487261 607632580 /nfs/dbraw/zinc/63/25/80/607632580.db2.gz JFUSXEBPTPWASA-GFCCVEGCSA-N -1 1 399.436 0.625 20 0 GCADMM O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487261 607632582 /nfs/dbraw/zinc/63/25/82/607632582.db2.gz JFUSXEBPTPWASA-GFCCVEGCSA-N -1 1 399.436 0.625 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(CCO)Cc1cccnc1 ZINC000826495205 607633382 /nfs/dbraw/zinc/63/33/82/607633382.db2.gz HGWLUDYNWMJKGN-UHFFFAOYSA-N -1 1 378.389 0.584 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H](OCCO)C1 ZINC000826494966 607634278 /nfs/dbraw/zinc/63/42/78/607634278.db2.gz XBRNFIZUUXJHIE-NSHDSACASA-N -1 1 387.849 0.682 20 0 GCADMM COCC[C@@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826154470 607636734 /nfs/dbraw/zinc/63/67/34/607636734.db2.gz PYBMRLHEMNMUQU-CYBMUJFWSA-N -1 1 375.838 0.586 20 0 GCADMM COCC[C@@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826154470 607636735 /nfs/dbraw/zinc/63/67/35/607636735.db2.gz PYBMRLHEMNMUQU-CYBMUJFWSA-N -1 1 375.838 0.586 20 0 GCADMM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825011995 607639731 /nfs/dbraw/zinc/63/97/31/607639731.db2.gz BZLQKAWJOMETJY-QMMMGPOBSA-N -1 1 391.862 0.328 20 0 GCADMM C(c1nnc2n1CCCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823874662 607641767 /nfs/dbraw/zinc/64/17/67/607641767.db2.gz XNENONRZZMPAGW-UHFFFAOYSA-N -1 1 396.459 0.982 20 0 GCADMM Cc1cc([C@@](C)(O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)o1 ZINC000826261895 607645930 /nfs/dbraw/zinc/64/59/30/607645930.db2.gz XBYGFWRTIAQLNU-HNNXBMFYSA-N -1 1 378.414 0.658 20 0 GCADMM Cc1cc([C@@](C)(O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)o1 ZINC000826261895 607645932 /nfs/dbraw/zinc/64/59/32/607645932.db2.gz XBYGFWRTIAQLNU-HNNXBMFYSA-N -1 1 378.414 0.658 20 0 GCADMM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826138536 607656343 /nfs/dbraw/zinc/65/63/43/607656343.db2.gz YRNUVGFIQWXALW-UHFFFAOYSA-N -1 1 399.404 0.349 20 0 GCADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000824157797 607661893 /nfs/dbraw/zinc/66/18/93/607661893.db2.gz MWWWLZNYEQQHFE-UHFFFAOYSA-N -1 1 377.423 0.107 20 0 GCADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000824157797 607661894 /nfs/dbraw/zinc/66/18/94/607661894.db2.gz MWWWLZNYEQQHFE-UHFFFAOYSA-N -1 1 377.423 0.107 20 0 GCADMM NC(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826393368 607668255 /nfs/dbraw/zinc/66/82/55/607668255.db2.gz PBQBDZWFWDWDPF-UHFFFAOYSA-N -1 1 393.816 0.493 20 0 GCADMM NC(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826393368 607668257 /nfs/dbraw/zinc/66/82/57/607668257.db2.gz PBQBDZWFWDWDPF-UHFFFAOYSA-N -1 1 393.816 0.493 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(OCCCO)CC1 ZINC000826495480 607670311 /nfs/dbraw/zinc/67/03/11/607670311.db2.gz QJUOPLCEAUCWED-UHFFFAOYSA-N -1 1 385.421 0.558 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481119 607671267 /nfs/dbraw/zinc/67/12/67/607671267.db2.gz IHOAJDADJGWPDG-NWDGAFQWSA-N -1 1 380.405 0.438 20 0 GCADMM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000825471597 607671839 /nfs/dbraw/zinc/67/18/39/607671839.db2.gz YHAFTPSJUQTBDE-SECBINFHSA-N -1 1 399.864 0.602 20 0 GCADMM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000825471597 607671841 /nfs/dbraw/zinc/67/18/41/607671841.db2.gz YHAFTPSJUQTBDE-SECBINFHSA-N -1 1 399.864 0.602 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@@H]1CN(C)CCO1 ZINC000824640487 607676347 /nfs/dbraw/zinc/67/63/47/607676347.db2.gz JTFGOGZEKUMSDC-KOLCDFICSA-N -1 1 386.865 0.518 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@@H]1CN(C)CCO1 ZINC000824640487 607676349 /nfs/dbraw/zinc/67/63/49/607676349.db2.gz JTFGOGZEKUMSDC-KOLCDFICSA-N -1 1 386.865 0.518 20 0 GCADMM NC(=O)C1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCC1 ZINC000826390002 607680275 /nfs/dbraw/zinc/68/02/75/607680275.db2.gz NQKHFHWADUFKDU-UHFFFAOYSA-N -1 1 390.347 0.572 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)Cc2ccccc2C(F)(F)F)c1=O ZINC000826356366 607687912 /nfs/dbraw/zinc/68/79/12/607687912.db2.gz NLMDGHDQRVCLAJ-JTQLQIEISA-N -1 1 396.329 0.350 20 0 GCADMM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000833251849 604424389 /nfs/dbraw/zinc/42/43/89/604424389.db2.gz YJSFBINUKJUUDB-CQSZACIVSA-N -1 1 399.407 0.285 20 0 GCADMM COc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1[N-]S(C)(=O)=O ZINC000826209984 607692000 /nfs/dbraw/zinc/69/20/00/607692000.db2.gz ZHHDTCKOAJIFJU-UHFFFAOYSA-N -1 1 377.386 0.827 20 0 GCADMM CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)N1CCN(C)CC1 ZINC000826687795 604472818 /nfs/dbraw/zinc/47/28/18/604472818.db2.gz OBWXOSBQGHOSQT-ZDUSSCGKSA-N -1 1 382.486 0.773 20 0 GCADMM COC(=O)C1=C(CN[C@@]2(C(=O)[O-])CCOC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000833702924 604486583 /nfs/dbraw/zinc/48/65/83/604486583.db2.gz BMSODAGBCVLIAJ-KXBFYZLASA-N -1 1 389.408 0.643 20 0 GCADMM CCOC(=O)Cn1cccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1=O ZINC000833658825 604491755 /nfs/dbraw/zinc/49/17/55/604491755.db2.gz KFMIOGFVIUBYOP-CYBMUJFWSA-N -1 1 394.428 0.424 20 0 GCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000827380298 604546655 /nfs/dbraw/zinc/54/66/55/604546655.db2.gz QVIBVNZJXNOYNN-CQSZACIVSA-N -1 1 391.472 0.563 20 0 GCADMM O=C([O-])c1ccc(N2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC2)nn1 ZINC000833782762 604547591 /nfs/dbraw/zinc/54/75/91/604547591.db2.gz NBQAZBNXUOZSRL-UHFFFAOYSA-N -1 1 379.380 0.922 20 0 GCADMM CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3CC(=O)[O-])c2)CC1 ZINC000830955012 604659640 /nfs/dbraw/zinc/65/96/40/604659640.db2.gz WQIOGBLSROQNAQ-KRWDZBQOSA-N -1 1 388.468 0.838 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833402070 604725156 /nfs/dbraw/zinc/72/51/56/604725156.db2.gz ANHHTQGEIDXELB-KBPBESRZSA-N -1 1 378.425 0.585 20 0 GCADMM C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC(O)(C(=O)[O-])CC1 ZINC000833404117 604728424 /nfs/dbraw/zinc/72/84/24/604728424.db2.gz GQQVMCDCHIOZRK-CYBMUJFWSA-N -1 1 378.425 0.417 20 0 GCADMM C[C@H](CN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)C1CC1)C(=O)[O-] ZINC000827450632 604740400 /nfs/dbraw/zinc/74/04/00/604740400.db2.gz YWUCFPJFIGWCKS-VXGBXAGGSA-N -1 1 395.481 0.797 20 0 GCADMM C[C@H](O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C[C@H]1C ZINC000827803993 604752571 /nfs/dbraw/zinc/75/25/71/604752571.db2.gz QMUFFDXMGYWULR-VKJFTORMSA-N -1 1 375.469 0.411 20 0 GCADMM C[C@H](O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C[C@@H]1C ZINC000827803991 604752819 /nfs/dbraw/zinc/75/28/19/604752819.db2.gz QMUFFDXMGYWULR-RLFYNMQTSA-N -1 1 375.469 0.411 20 0 GCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N(C)CC(F)(F)F ZINC000826294740 607715837 /nfs/dbraw/zinc/71/58/37/607715837.db2.gz ALCCMFPJGCRKCZ-UHFFFAOYSA-N -1 1 381.318 0.906 20 0 GCADMM COC(=O)c1ccc(N2CCN(CCc3cn(CC(=O)[O-])nn3)[C@H](C)C2)cc1 ZINC000833715934 604866980 /nfs/dbraw/zinc/86/69/80/604866980.db2.gz IZFXXKUTLDLVNX-CQSZACIVSA-N -1 1 387.440 0.903 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000833767747 604897883 /nfs/dbraw/zinc/89/78/83/604897883.db2.gz OVESIMXAWPJRCD-RYUDHWBXSA-N -1 1 398.466 0.436 20 0 GCADMM CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC000833484283 604976462 /nfs/dbraw/zinc/97/64/62/604976462.db2.gz WJOUMZOJPKLEPR-GOSISDBHSA-N -1 1 397.516 0.545 20 0 GCADMM CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC000833484285 604976478 /nfs/dbraw/zinc/97/64/78/604976478.db2.gz WJOUMZOJPKLEPR-SFHVURJKSA-N -1 1 397.516 0.545 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833402452 604981812 /nfs/dbraw/zinc/98/18/12/604981812.db2.gz MQOWKUWWDUJPAT-SIIHOXLZSA-N -1 1 392.452 0.831 20 0 GCADMM C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833405528 604984813 /nfs/dbraw/zinc/98/48/13/604984813.db2.gz WHZJELJTPYQIGO-FZKQIMNGSA-N -1 1 392.452 0.663 20 0 GCADMM C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833405533 604984982 /nfs/dbraw/zinc/98/49/82/604984982.db2.gz WHZJELJTPYQIGO-UGSOOPFHSA-N -1 1 392.452 0.663 20 0 GCADMM 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COC(=O)[C@H]1CCN(C(=O)CSc2n[nH]c(=S)s2)[C@H](C(=O)[O-])C1 ZINC000833711455 605769093 /nfs/dbraw/zinc/76/90/93/605769093.db2.gz XTADXMAXKAFBRF-BQBZGAKWSA-N -1 1 377.469 0.784 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC(C)(C)CCC(=O)OC(C)(C)C)n(C)c1=O ZINC000822600656 606063977 /nfs/dbraw/zinc/06/39/77/606063977.db2.gz OYADPYZTEHMRCF-UHFFFAOYSA-N -1 1 393.448 0.577 20 0 GCADMM Cc1oc(NC(=O)CN2CCN(CC[S@@](C)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000822548582 606084606 /nfs/dbraw/zinc/08/46/06/606084606.db2.gz MLDYKWOYCWHMMC-HHHXNRCGSA-N -1 1 395.489 0.011 20 0 GCADMM CO[C@@H](C)c1noc(CN2CCCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC000821674968 606102902 /nfs/dbraw/zinc/10/29/02/606102902.db2.gz AGHKUZZNYQWZPP-NSHDSACASA-N -1 1 386.420 0.459 20 0 GCADMM CO[C@@H](C)c1noc(CN2CCCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC000821674968 606102903 /nfs/dbraw/zinc/10/29/03/606102903.db2.gz AGHKUZZNYQWZPP-NSHDSACASA-N -1 1 386.420 0.459 20 0 GCADMM Cc1oc(NC(=O)COC(=O)Cn2nnnc2C(C)C)c(-c2nn[n-]n2)c1C ZINC000822548974 606131559 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ZINC000820379333 606159263 /nfs/dbraw/zinc/15/92/63/606159263.db2.gz ARXAHSKMWXEMPC-MRVPVSSYSA-N -1 1 391.417 0.130 20 0 GCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(S(N)(=O)=O)cc1 ZINC000820379333 606159264 /nfs/dbraw/zinc/15/92/64/606159264.db2.gz ARXAHSKMWXEMPC-MRVPVSSYSA-N -1 1 391.417 0.130 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1 ZINC000822613616 606159288 /nfs/dbraw/zinc/15/92/88/606159288.db2.gz FAWYCEIFZKJWOW-UHFFFAOYSA-N -1 1 395.305 0.778 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1 ZINC000822613616 606159291 /nfs/dbraw/zinc/15/92/91/606159291.db2.gz FAWYCEIFZKJWOW-UHFFFAOYSA-N -1 1 395.305 0.778 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(CS(C)(=O)=O)c2)n1 ZINC000822619638 606159779 /nfs/dbraw/zinc/15/97/79/606159779.db2.gz BYEZHYMEJQEAKS-UHFFFAOYSA-N -1 1 390.429 0.467 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(CS(C)(=O)=O)c2)n1 ZINC000822619638 606159781 /nfs/dbraw/zinc/15/97/81/606159781.db2.gz BYEZHYMEJQEAKS-UHFFFAOYSA-N -1 1 390.429 0.467 20 0 GCADMM CCN(CC)C(=O)N1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821175701 606161094 /nfs/dbraw/zinc/16/10/94/606161094.db2.gz SZTAYCJAZWIPTC-UHFFFAOYSA-N -1 1 376.425 0.212 20 0 GCADMM CCN(CC)C(=O)N1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821175701 606161096 /nfs/dbraw/zinc/16/10/96/606161096.db2.gz SZTAYCJAZWIPTC-UHFFFAOYSA-N -1 1 376.425 0.212 20 0 GCADMM COc1ccccc1CN1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821896863 606167042 /nfs/dbraw/zinc/16/70/42/606167042.db2.gz CSPSNQVHJWLKBI-UHFFFAOYSA-N -1 1 397.443 0.959 20 0 GCADMM COc1ccccc1CN1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821896863 606167044 /nfs/dbraw/zinc/16/70/44/606167044.db2.gz CSPSNQVHJWLKBI-UHFFFAOYSA-N -1 1 397.443 0.959 20 0 GCADMM Cc1ccc(N2CC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822240816 606169699 /nfs/dbraw/zinc/16/96/99/606169699.db2.gz AEGJFNLAYZICGH-ZDUSSCGKSA-N -1 1 381.400 0.836 20 0 GCADMM Cc1ccc(N2CC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822240816 606169702 /nfs/dbraw/zinc/16/97/02/606169702.db2.gz AEGJFNLAYZICGH-ZDUSSCGKSA-N -1 1 381.400 0.836 20 0 GCADMM CN(C)C(=O)COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821577908 606171207 /nfs/dbraw/zinc/17/12/07/606171207.db2.gz CZVHGYPQZYOKKC-UHFFFAOYSA-N -1 1 399.415 0.389 20 0 GCADMM CN(C)C(=O)COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821577908 606171209 /nfs/dbraw/zinc/17/12/09/606171209.db2.gz CZVHGYPQZYOKKC-UHFFFAOYSA-N -1 1 399.415 0.389 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000822609635 606173663 /nfs/dbraw/zinc/17/36/63/606173663.db2.gz SPSJXOLAUUSMOE-OAHLLOKOSA-N -1 1 397.443 0.483 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000822609868 606173739 /nfs/dbraw/zinc/17/37/39/606173739.db2.gz XNOWRRSGAGZEFS-SNVBAGLBSA-N -1 1 378.393 0.175 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000822609868 606173740 /nfs/dbraw/zinc/17/37/40/606173740.db2.gz XNOWRRSGAGZEFS-SNVBAGLBSA-N -1 1 378.393 0.175 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCSC3(CCCCC3)C2)n(C)c1=O ZINC000822600994 606200957 /nfs/dbraw/zinc/20/09/57/606200957.db2.gz SDGOVWHMQTVZEC-UHFFFAOYSA-N -1 1 377.474 0.520 20 0 GCADMM Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822674544 606239571 /nfs/dbraw/zinc/23/95/71/606239571.db2.gz WVFSLOWFAHLQEG-CQSZACIVSA-N -1 1 393.404 0.502 20 0 GCADMM CCN(C[C@H](O)c1ccc(C)cc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821170566 606241616 /nfs/dbraw/zinc/24/16/16/606241616.db2.gz SOKYRFYKOJSRMP-ZDUSSCGKSA-N -1 1 385.428 0.132 20 0 GCADMM COc1ccc(NC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1[N-]S(C)(=O)=O ZINC000821835088 606276829 /nfs/dbraw/zinc/27/68/29/606276829.db2.gz CZMDRORREFOCHN-UHFFFAOYSA-N -1 1 391.413 0.838 20 0 GCADMM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822457995 606292907 /nfs/dbraw/zinc/29/29/07/606292907.db2.gz BLLNIWMFQGYVPB-UHFFFAOYSA-N -1 1 394.395 0.945 20 0 GCADMM CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000821442924 606296389 /nfs/dbraw/zinc/29/63/89/606296389.db2.gz XKZZVIMNXNXJPF-LLVKDONJSA-N -1 1 380.430 0.573 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823600215 606335260 /nfs/dbraw/zinc/33/52/60/606335260.db2.gz DKYJYFTUJXYOAF-LBPRGKRZSA-N -1 1 397.432 0.964 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)n1 ZINC000822609555 606346735 /nfs/dbraw/zinc/34/67/35/606346735.db2.gz QAYCVPDNECFUCX-GFCCVEGCSA-N -1 1 376.421 0.792 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)n1 ZINC000822609555 606346736 /nfs/dbraw/zinc/34/67/36/606346736.db2.gz QAYCVPDNECFUCX-GFCCVEGCSA-N -1 1 376.421 0.792 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000822005029 606435213 /nfs/dbraw/zinc/43/52/13/606435213.db2.gz NLEPWMQQYGSUJJ-CHWSQXEVSA-N -1 1 387.444 0.677 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000823601148 606435691 /nfs/dbraw/zinc/43/56/91/606435691.db2.gz UCOOPJXSXQKAGC-AWEZNQCLSA-N -1 1 386.437 0.894 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@@H]1Cc1ccccc1 ZINC000823601148 606435692 /nfs/dbraw/zinc/43/56/92/606435692.db2.gz UCOOPJXSXQKAGC-AWEZNQCLSA-N -1 1 386.437 0.894 20 0 GCADMM CC(C)(C)n1ncc2c1nc(NCCCc1[nH]nc(N)c1-c1nnn[n-]1)[nH]c2=O ZINC000819975754 606440911 /nfs/dbraw/zinc/44/09/11/606440911.db2.gz BMQZOOHGWLPCMY-UHFFFAOYSA-N -1 1 398.435 0.817 20 0 GCADMM CC(C)(C)n1ncc2c1nc(NCCCc1[nH]nc(N)c1-c1nn[n-]n1)[nH]c2=O ZINC000819975754 606440912 /nfs/dbraw/zinc/44/09/12/606440912.db2.gz BMQZOOHGWLPCMY-UHFFFAOYSA-N -1 1 398.435 0.817 20 0 GCADMM O=S1(=O)CC[C@@H](N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)C1 ZINC000823613950 606442398 /nfs/dbraw/zinc/44/23/98/606442398.db2.gz MIZZFRQCSJFTAW-SNVBAGLBSA-N -1 1 383.865 0.224 20 0 GCADMM O=S1(=O)CC[C@@H](N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)C1 ZINC000823613950 606442400 /nfs/dbraw/zinc/44/24/00/606442400.db2.gz MIZZFRQCSJFTAW-SNVBAGLBSA-N -1 1 383.865 0.224 20 0 GCADMM O=S1(=O)CC[C@H](N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)C1 ZINC000823613941 606442553 /nfs/dbraw/zinc/44/25/53/606442553.db2.gz MIZZFRQCSJFTAW-JTQLQIEISA-N -1 1 383.865 0.224 20 0 GCADMM O=S1(=O)CC[C@H](N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)C1 ZINC000823613941 606442555 /nfs/dbraw/zinc/44/25/55/606442555.db2.gz MIZZFRQCSJFTAW-JTQLQIEISA-N -1 1 383.865 0.224 20 0 GCADMM CO[C@@H](C)c1nc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000821675930 606473898 /nfs/dbraw/zinc/47/38/98/606473898.db2.gz WSYIVXMPMALFRP-QMMMGPOBSA-N -1 1 381.443 0.904 20 0 GCADMM CO[C@@H](C)c1nc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000821675930 606473901 /nfs/dbraw/zinc/47/39/01/606473901.db2.gz WSYIVXMPMALFRP-QMMMGPOBSA-N -1 1 381.443 0.904 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823478955 606492855 /nfs/dbraw/zinc/49/28/55/606492855.db2.gz XPGHJOOXEFDKGW-QWRGUYRKSA-N -1 1 397.482 0.737 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823478955 606492856 /nfs/dbraw/zinc/49/28/56/606492856.db2.gz XPGHJOOXEFDKGW-QWRGUYRKSA-N -1 1 397.482 0.737 20 0 GCADMM Cn1cc([C@@H]2[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000821619467 606516664 /nfs/dbraw/zinc/51/66/64/606516664.db2.gz YLGHKUGVCLSLEH-XJKSGUPXSA-N -1 1 396.411 0.648 20 0 GCADMM Cn1cc([C@@H]2[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000821619467 606516666 /nfs/dbraw/zinc/51/66/66/606516666.db2.gz YLGHKUGVCLSLEH-XJKSGUPXSA-N -1 1 396.411 0.648 20 0 GCADMM COC(=O)C[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000821660586 606520962 /nfs/dbraw/zinc/52/09/62/606520962.db2.gz WXLLBQCYQLHSLI-NSHDSACASA-N -1 1 378.389 0.279 20 0 GCADMM O=C(NCCN1CCN(c2ncccn2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823197311 606528433 /nfs/dbraw/zinc/52/84/33/606528433.db2.gz PQWYFLJKBFGUTA-UHFFFAOYSA-N -1 1 385.457 0.270 20 0 GCADMM COCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821687473 606529431 /nfs/dbraw/zinc/52/94/31/606529431.db2.gz APHDKLIAYPEGPL-UHFFFAOYSA-N -1 1 378.458 0.933 20 0 GCADMM COCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821687473 606529432 /nfs/dbraw/zinc/52/94/32/606529432.db2.gz APHDKLIAYPEGPL-UHFFFAOYSA-N -1 1 378.458 0.933 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCCNC(=O)C2CCC2)cc1-c1nn[n-]n1 ZINC000821977556 606585015 /nfs/dbraw/zinc/58/50/15/606585015.db2.gz HWWJVCOMENGWCS-UHFFFAOYSA-N -1 1 391.457 0.725 20 0 GCADMM Cc1cccc(-n2cc(C(=O)Cn3nc(C)c(C)c(-c4nn[n-]n4)c3=O)nn2)c1 ZINC000822284536 606589239 /nfs/dbraw/zinc/58/92/39/606589239.db2.gz UCESGPBKNYYQTH-UHFFFAOYSA-N -1 1 391.395 0.812 20 0 GCADMM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823166901 606592365 /nfs/dbraw/zinc/59/23/65/606592365.db2.gz SHIXMMMFUQJLGW-SECBINFHSA-N -1 1 389.393 0.827 20 0 GCADMM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823166901 606592366 /nfs/dbraw/zinc/59/23/66/606592366.db2.gz SHIXMMMFUQJLGW-SECBINFHSA-N -1 1 389.393 0.827 20 0 GCADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc(OC)c1OC ZINC000821716887 606597531 /nfs/dbraw/zinc/59/75/31/606597531.db2.gz GBUGJBPNIUUTEO-UHFFFAOYSA-N -1 1 388.388 0.948 20 0 GCADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc(OC)c1OC ZINC000821716887 606597532 /nfs/dbraw/zinc/59/75/32/606597532.db2.gz GBUGJBPNIUUTEO-UHFFFAOYSA-N -1 1 388.388 0.948 20 0 GCADMM CCOCCNC(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821384337 606615473 /nfs/dbraw/zinc/61/54/73/606615473.db2.gz VQPWKRLGFGINDD-UHFFFAOYSA-N -1 1 388.384 0.868 20 0 GCADMM CCOCCNC(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821384337 606615474 /nfs/dbraw/zinc/61/54/74/606615474.db2.gz VQPWKRLGFGINDD-UHFFFAOYSA-N -1 1 388.384 0.868 20 0 GCADMM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821636334 606623404 /nfs/dbraw/zinc/62/34/04/606623404.db2.gz NZNVNNNEGCZZST-LLVKDONJSA-N -1 1 397.461 0.029 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000821970447 606635205 /nfs/dbraw/zinc/63/52/05/606635205.db2.gz OASRZBZJPLFCIX-DTWKUNHWSA-N -1 1 380.430 0.613 20 0 GCADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000822457973 606642135 /nfs/dbraw/zinc/64/21/35/606642135.db2.gz BEAAHECDSPAOIC-UHFFFAOYSA-N -1 1 382.388 0.523 20 0 GCADMM Cn1ncc2c1nc(CCC(=O)OCc1ccnc(-c3nnn[n-]3)c1)[nH]c2=O ZINC000822710064 606648068 /nfs/dbraw/zinc/64/80/68/606648068.db2.gz XFXGGCLLCUNPPJ-UHFFFAOYSA-N -1 1 381.356 0.320 20 0 GCADMM Cn1ncc2c1nc(CCC(=O)OCc1ccnc(-c3nn[n-]n3)c1)[nH]c2=O ZINC000822710064 606648069 /nfs/dbraw/zinc/64/80/69/606648069.db2.gz XFXGGCLLCUNPPJ-UHFFFAOYSA-N -1 1 381.356 0.320 20 0 GCADMM O=C(CCc1nc(-c2ncccn2)no1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822986580 606648170 /nfs/dbraw/zinc/64/81/70/606648170.db2.gz HQJKAMRALMWFLW-UHFFFAOYSA-N -1 1 379.340 0.778 20 0 GCADMM O=C(CCc1nc(-c2ncccn2)no1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822986580 606648171 /nfs/dbraw/zinc/64/81/71/606648171.db2.gz HQJKAMRALMWFLW-UHFFFAOYSA-N -1 1 379.340 0.778 20 0 GCADMM CN(CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccnc1 ZINC000821594044 606648878 /nfs/dbraw/zinc/64/88/78/606648878.db2.gz WNZRNCIHXCQXTK-UHFFFAOYSA-N -1 1 389.397 0.021 20 0 GCADMM CN(CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccnc1 ZINC000821594044 606648879 /nfs/dbraw/zinc/64/88/79/606648879.db2.gz WNZRNCIHXCQXTK-UHFFFAOYSA-N -1 1 389.397 0.021 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccnc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822969458 606649180 /nfs/dbraw/zinc/64/91/80/606649180.db2.gz OTGNLQVJDYOWHY-UHFFFAOYSA-N -1 1 389.397 0.069 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccnc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822969458 606649181 /nfs/dbraw/zinc/64/91/81/606649181.db2.gz OTGNLQVJDYOWHY-UHFFFAOYSA-N -1 1 389.397 0.069 20 0 GCADMM CC1CCC(NS(=O)(=O)CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000820690296 606649540 /nfs/dbraw/zinc/64/95/40/606649540.db2.gz JEAXYNRTUXYLDL-UHFFFAOYSA-N -1 1 394.457 0.803 20 0 GCADMM CC1CCC(NS(=O)(=O)CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000820690296 606649541 /nfs/dbraw/zinc/64/95/41/606649541.db2.gz JEAXYNRTUXYLDL-UHFFFAOYSA-N -1 1 394.457 0.803 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000819884438 606649999 /nfs/dbraw/zinc/64/99/99/606649999.db2.gz WSSYOROJMPKBBE-WXHSDQCUSA-N -1 1 384.396 0.869 20 0 GCADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000819884438 606650000 /nfs/dbraw/zinc/65/00/00/606650000.db2.gz WSSYOROJMPKBBE-WXHSDQCUSA-N -1 1 384.396 0.869 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000819884688 606653324 /nfs/dbraw/zinc/65/33/24/606653324.db2.gz YQKAAMXXCXQQMR-JTQLQIEISA-N -1 1 385.384 0.558 20 0 GCADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000819884688 606653325 /nfs/dbraw/zinc/65/33/25/606653325.db2.gz YQKAAMXXCXQQMR-JTQLQIEISA-N -1 1 385.384 0.558 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@H](O)C[C@H](O)C2)c1-c1nn[n-]n1 ZINC000821989354 606688314 /nfs/dbraw/zinc/68/83/14/606688314.db2.gz KBDIRJBMNKBBAY-AOOOYVTPSA-N -1 1 376.442 0.429 20 0 GCADMM COC(=O)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@H]1C ZINC000821655562 606697972 /nfs/dbraw/zinc/69/79/72/606697972.db2.gz NKCBYUFMCCHNLQ-GMSGAONNSA-N -1 1 378.414 0.570 20 0 GCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cn(-c2ccccc2)nn1 ZINC000820451399 606728373 /nfs/dbraw/zinc/72/83/73/606728373.db2.gz VBKVHBWSDSQKOP-SNVBAGLBSA-N -1 1 394.399 0.018 20 0 GCADMM CCOc1cccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000821427665 606736871 /nfs/dbraw/zinc/73/68/71/606736871.db2.gz XVNAXXUMOXCYEA-UHFFFAOYSA-N -1 1 375.414 0.576 20 0 GCADMM CCOc1cccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821427665 606736873 /nfs/dbraw/zinc/73/68/73/606736873.db2.gz XVNAXXUMOXCYEA-UHFFFAOYSA-N -1 1 375.414 0.576 20 0 GCADMM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)C[C@H]21 ZINC000821628989 606737689 /nfs/dbraw/zinc/73/76/89/606737689.db2.gz WANMMJVFTPZIMO-NEPJUHHUSA-N -1 1 384.849 0.224 20 0 GCADMM O=S(=O)(NCCOc1ncccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578245 606738200 /nfs/dbraw/zinc/73/82/00/606738200.db2.gz KKMNCCIDLOKONY-UHFFFAOYSA-N -1 1 381.805 0.667 20 0 GCADMM O=S(=O)(NCCOc1ncccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578245 606738201 /nfs/dbraw/zinc/73/82/01/606738201.db2.gz KKMNCCIDLOKONY-UHFFFAOYSA-N -1 1 381.805 0.667 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@@H]1C ZINC000821657280 606745173 /nfs/dbraw/zinc/74/51/73/606745173.db2.gz LDRXXQCLBMDFKK-IUCAKERBSA-N -1 1 385.833 0.950 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@@H]1C ZINC000821657280 606745175 /nfs/dbraw/zinc/74/51/75/606745175.db2.gz LDRXXQCLBMDFKK-IUCAKERBSA-N -1 1 385.833 0.950 20 0 GCADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C[C@@H]1C ZINC000821657291 606745533 /nfs/dbraw/zinc/74/55/33/606745533.db2.gz LKDSOUFKNZVQBM-GZMMTYOYSA-N -1 1 385.833 0.950 20 0 GCADMM Nc1ccnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000822907228 606763241 /nfs/dbraw/zinc/76/32/41/606763241.db2.gz CAEHKABKWNJVJM-UHFFFAOYSA-N -1 1 394.399 0.809 20 0 GCADMM CCn1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000821565558 606763527 /nfs/dbraw/zinc/76/35/27/606763527.db2.gz YQCJMBYKUQTZGW-NSHDSACASA-N -1 1 383.420 0.616 20 0 GCADMM CCn1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000821565558 606763530 /nfs/dbraw/zinc/76/35/30/606763530.db2.gz YQCJMBYKUQTZGW-NSHDSACASA-N -1 1 383.420 0.616 20 0 GCADMM Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822705143 606764003 /nfs/dbraw/zinc/76/40/03/606764003.db2.gz XBNJFYFVGFKIIB-SNVBAGLBSA-N -1 1 392.420 0.703 20 0 GCADMM COC[C@H](C)NC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821683026 606765640 /nfs/dbraw/zinc/76/56/40/606765640.db2.gz TZJWSZAWKWDVRW-QWRGUYRKSA-N -1 1 377.478 0.077 20 0 GCADMM COC[C@H](C)NC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821683026 606765642 /nfs/dbraw/zinc/76/56/42/606765642.db2.gz TZJWSZAWKWDVRW-QWRGUYRKSA-N -1 1 377.478 0.077 20 0 GCADMM COc1ncccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821919783 606768100 /nfs/dbraw/zinc/76/81/00/606768100.db2.gz DGMARPGAVPTRAF-NSHDSACASA-N -1 1 396.415 0.803 20 0 GCADMM COc1ncccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821919783 606768102 /nfs/dbraw/zinc/76/81/02/606768102.db2.gz DGMARPGAVPTRAF-NSHDSACASA-N -1 1 396.415 0.803 20 0 GCADMM Cc1ccc(C(=O)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000822224836 606768570 /nfs/dbraw/zinc/76/85/70/606768570.db2.gz CFNITYSTYUOKHB-CYBMUJFWSA-N -1 1 392.423 0.885 20 0 GCADMM Cc1ccc(C(=O)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000822224836 606768571 /nfs/dbraw/zinc/76/85/71/606768571.db2.gz CFNITYSTYUOKHB-CYBMUJFWSA-N -1 1 392.423 0.885 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000820803607 606769022 /nfs/dbraw/zinc/76/90/22/606769022.db2.gz DBXNRUMIDSQKQB-KFWWJZLASA-N -1 1 397.487 0.916 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000820803607 606769024 /nfs/dbraw/zinc/76/90/24/606769024.db2.gz DBXNRUMIDSQKQB-KFWWJZLASA-N -1 1 397.487 0.916 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1ncn(C2CC2)c1=S ZINC000820803679 606769229 /nfs/dbraw/zinc/76/92/29/606769229.db2.gz FDWVPUFZRAROFY-NSHDSACASA-N -1 1 399.488 0.887 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1ncn(C2CC2)c1=S ZINC000820803679 606769230 /nfs/dbraw/zinc/76/92/30/606769230.db2.gz FDWVPUFZRAROFY-NSHDSACASA-N -1 1 399.488 0.887 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@@H]([C@H]3CCCO3)C2)c(-c2nn[n-]n2)c1C ZINC000822548998 606771088 /nfs/dbraw/zinc/77/10/88/606771088.db2.gz REPOCVXIMDZZQM-CHWSQXEVSA-N -1 1 376.417 0.895 20 0 GCADMM Cc1oc(NC(=O)CN2CCS(=O)(=O)C(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000822548779 606776886 /nfs/dbraw/zinc/77/68/86/606776886.db2.gz NPVSRFMOWBMMKJ-UHFFFAOYSA-N -1 1 382.446 0.524 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820649768 606777211 /nfs/dbraw/zinc/77/72/11/606777211.db2.gz ONVKFYRPKRZRBE-QLFBSQMISA-N -1 1 399.503 0.672 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820649768 606777213 /nfs/dbraw/zinc/77/72/13/606777213.db2.gz ONVKFYRPKRZRBE-QLFBSQMISA-N -1 1 399.503 0.672 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCc1ccco1 ZINC000820788611 606777409 /nfs/dbraw/zinc/77/74/09/606777409.db2.gz KORFTJNLWOJFDA-GFCCVEGCSA-N -1 1 383.416 0.077 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCc1ccco1 ZINC000820788611 606777410 /nfs/dbraw/zinc/77/74/10/606777410.db2.gz KORFTJNLWOJFDA-GFCCVEGCSA-N -1 1 383.416 0.077 20 0 GCADMM C[C@@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820788300 606777435 /nfs/dbraw/zinc/77/74/35/606777435.db2.gz CLDDXOKVDYDXDS-ZIAGYGMSSA-N -1 1 385.476 0.568 20 0 GCADMM C[C@@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820788300 606777436 /nfs/dbraw/zinc/77/74/36/606777436.db2.gz CLDDXOKVDYDXDS-ZIAGYGMSSA-N -1 1 385.476 0.568 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC[S@@](=O)c1ccccc1 ZINC000820788947 606778070 /nfs/dbraw/zinc/77/80/70/606778070.db2.gz RUEMNTVSLZYDRE-GMYLUUGSSA-N -1 1 398.496 0.975 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc2n1CCCCC2 ZINC000820804199 606780687 /nfs/dbraw/zinc/78/06/87/606780687.db2.gz NWIOMSAJPFBXFY-ZDUSSCGKSA-N -1 1 395.475 0.685 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc2n1CCCCC2 ZINC000820804199 606780689 /nfs/dbraw/zinc/78/06/89/606780689.db2.gz NWIOMSAJPFBXFY-ZDUSSCGKSA-N -1 1 395.475 0.685 20 0 GCADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000822207250 606781236 /nfs/dbraw/zinc/78/12/36/606781236.db2.gz PMDRXNLKDXQHFD-JTQLQIEISA-N -1 1 384.404 0.102 20 0 GCADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000822207250 606781237 /nfs/dbraw/zinc/78/12/37/606781237.db2.gz PMDRXNLKDXQHFD-JTQLQIEISA-N -1 1 384.404 0.102 20 0 GCADMM COC(=O)c1coc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821671023 606781451 /nfs/dbraw/zinc/78/14/51/606781451.db2.gz DEKCBYMBGBNSDQ-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM COC(=O)c1coc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821671023 606781453 /nfs/dbraw/zinc/78/14/53/606781453.db2.gz DEKCBYMBGBNSDQ-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccccc1 ZINC000820789114 606782663 /nfs/dbraw/zinc/78/26/63/606782663.db2.gz VVKRNHAFNXUWJZ-ZDUSSCGKSA-N -1 1 379.428 0.806 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccccc1 ZINC000820789114 606782664 /nfs/dbraw/zinc/78/26/64/606782664.db2.gz VVKRNHAFNXUWJZ-ZDUSSCGKSA-N -1 1 379.428 0.806 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[C@H]1CCCO1 ZINC000820789273 606788238 /nfs/dbraw/zinc/78/82/38/606788238.db2.gz ZHROARVMQALOMK-QWHCGFSZSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[C@H]1CCCO1 ZINC000820789273 606788240 /nfs/dbraw/zinc/78/82/40/606788240.db2.gz ZHROARVMQALOMK-QWHCGFSZSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[C@H]1CCCO1 ZINC000820789271 606788290 /nfs/dbraw/zinc/78/82/90/606788290.db2.gz ZHROARVMQALOMK-CHWSQXEVSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[C@H]1CCCO1 ZINC000820789271 606788293 /nfs/dbraw/zinc/78/82/93/606788293.db2.gz ZHROARVMQALOMK-CHWSQXEVSA-N -1 1 387.448 0.446 20 0 GCADMM CCCCOCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821072650 606790474 /nfs/dbraw/zinc/79/04/74/606790474.db2.gz VKCBDRUDNZJXRU-ZDUSSCGKSA-N -1 1 389.464 0.694 20 0 GCADMM CCCCOCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821072650 606790477 /nfs/dbraw/zinc/79/04/77/606790477.db2.gz VKCBDRUDNZJXRU-ZDUSSCGKSA-N -1 1 389.464 0.694 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)[C@@H]1CCOC1 ZINC000820348658 606793722 /nfs/dbraw/zinc/79/37/22/606793722.db2.gz FNBHHMZDCOLBSO-RWMBFGLXSA-N -1 1 387.448 0.302 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)[C@@H]1CCOC1 ZINC000820348658 606793723 /nfs/dbraw/zinc/79/37/23/606793723.db2.gz FNBHHMZDCOLBSO-RWMBFGLXSA-N -1 1 387.448 0.302 20 0 GCADMM CO[C@@H](CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000821676656 606796053 /nfs/dbraw/zinc/79/60/53/606796053.db2.gz DCGFCXNAMQDCMF-OLZOCXBDSA-N -1 1 389.464 0.548 20 0 GCADMM CO[C@@H](CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000821676656 606796054 /nfs/dbraw/zinc/79/60/54/606796054.db2.gz DCGFCXNAMQDCMF-OLZOCXBDSA-N -1 1 389.464 0.548 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2c1ncn2C ZINC000820803986 606806967 /nfs/dbraw/zinc/80/69/67/606806967.db2.gz KROPCHVSEVGZBY-SNVBAGLBSA-N -1 1 378.404 0.049 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2c1ncn2C ZINC000820803986 606806969 /nfs/dbraw/zinc/80/69/69/606806969.db2.gz KROPCHVSEVGZBY-SNVBAGLBSA-N -1 1 378.404 0.049 20 0 GCADMM CCc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n2ncnc2n1 ZINC000821471286 606807523 /nfs/dbraw/zinc/80/75/23/606807523.db2.gz YNMLUUADPKRIGP-LLVKDONJSA-N -1 1 392.431 0.372 20 0 GCADMM CCc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n2ncnc2n1 ZINC000821471286 606807525 /nfs/dbraw/zinc/80/75/25/606807525.db2.gz YNMLUUADPKRIGP-LLVKDONJSA-N -1 1 392.431 0.372 20 0 GCADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821931760 606808002 /nfs/dbraw/zinc/80/80/02/606808002.db2.gz HEIBXBOLGNIBKG-ZYHUDNBSSA-N -1 1 388.457 0.940 20 0 GCADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821931760 606808003 /nfs/dbraw/zinc/80/80/03/606808003.db2.gz HEIBXBOLGNIBKG-ZYHUDNBSSA-N -1 1 388.457 0.940 20 0 GCADMM Cc1nc2[nH]ccc2c(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822449629 606808222 /nfs/dbraw/zinc/80/82/22/606808222.db2.gz HTWBJVVQQGDURT-JTQLQIEISA-N -1 1 377.416 0.952 20 0 GCADMM Cc1nc2[nH]ccc2c(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822449629 606808223 /nfs/dbraw/zinc/80/82/23/606808223.db2.gz HTWBJVVQQGDURT-JTQLQIEISA-N -1 1 377.416 0.952 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H](O)C(C)(C)C ZINC000822459540 606818742 /nfs/dbraw/zinc/81/87/42/606818742.db2.gz REBJAZBKARFGIZ-AWEZNQCLSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H](O)C(C)(C)C ZINC000822459540 606818743 /nfs/dbraw/zinc/81/87/43/606818743.db2.gz REBJAZBKARFGIZ-AWEZNQCLSA-N -1 1 386.460 0.982 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000820778977 606821977 /nfs/dbraw/zinc/82/19/77/606821977.db2.gz ZSJKURTUGVLJOA-NWDGAFQWSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000820778977 606821978 /nfs/dbraw/zinc/82/19/78/606821978.db2.gz ZSJKURTUGVLJOA-NWDGAFQWSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000820778978 606821998 /nfs/dbraw/zinc/82/19/98/606821998.db2.gz ZSJKURTUGVLJOA-RYUDHWBXSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000820778978 606822000 /nfs/dbraw/zinc/82/20/00/606822000.db2.gz ZSJKURTUGVLJOA-RYUDHWBXSA-N -1 1 394.443 0.222 20 0 GCADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(=O)[nH]1 ZINC000822226320 606822398 /nfs/dbraw/zinc/82/23/98/606822398.db2.gz MKJCCKLZCYUKSM-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(=O)[nH]1 ZINC000822226320 606822399 /nfs/dbraw/zinc/82/23/99/606822399.db2.gz MKJCCKLZCYUKSM-LLVKDONJSA-N -1 1 381.400 0.417 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC000820788460 606823988 /nfs/dbraw/zinc/82/39/88/606823988.db2.gz HQAHUIJCIOFNKR-NSHDSACASA-N -1 1 392.427 0.675 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC000820788460 606823990 /nfs/dbraw/zinc/82/39/90/606823990.db2.gz HQAHUIJCIOFNKR-NSHDSACASA-N -1 1 392.427 0.675 20 0 GCADMM CC(=O)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n(C)c1 ZINC000819832912 606824168 /nfs/dbraw/zinc/82/41/68/606824168.db2.gz CMEQRCISAYXFPE-LLVKDONJSA-N -1 1 395.427 0.549 20 0 GCADMM CC(=O)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n(C)c1 ZINC000819832912 606824169 /nfs/dbraw/zinc/82/41/69/606824169.db2.gz CMEQRCISAYXFPE-LLVKDONJSA-N -1 1 395.427 0.549 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2nccn2c1 ZINC000820788706 606824955 /nfs/dbraw/zinc/82/49/55/606824955.db2.gz MPUOZYZOBLZGNI-LBPRGKRZSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2nccn2c1 ZINC000820788706 606824957 /nfs/dbraw/zinc/82/49/57/606824957.db2.gz MPUOZYZOBLZGNI-LBPRGKRZSA-N -1 1 390.411 0.655 20 0 GCADMM Cc1cc(OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000822210552 606825297 /nfs/dbraw/zinc/82/52/97/606825297.db2.gz HEZPQNTXEYCDTD-JTQLQIEISA-N -1 1 385.388 0.069 20 0 GCADMM Cc1cc(OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000822210552 606825298 /nfs/dbraw/zinc/82/52/98/606825298.db2.gz HEZPQNTXEYCDTD-JTQLQIEISA-N -1 1 385.388 0.069 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1noc2c1CCCC2 ZINC000820789208 606825450 /nfs/dbraw/zinc/82/54/50/606825450.db2.gz XWBHFXFFZJTJGG-NSHDSACASA-N -1 1 395.427 0.874 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1noc2c1CCCC2 ZINC000820789208 606825452 /nfs/dbraw/zinc/82/54/52/606825452.db2.gz XWBHFXFFZJTJGG-NSHDSACASA-N -1 1 395.427 0.874 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(N(C)C)nc1 ZINC000820789129 606825712 /nfs/dbraw/zinc/82/57/12/606825712.db2.gz VZZUTYDFQMPPSJ-GFCCVEGCSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(N(C)C)nc1 ZINC000820789129 606825714 /nfs/dbraw/zinc/82/57/14/606825714.db2.gz VZZUTYDFQMPPSJ-GFCCVEGCSA-N -1 1 394.443 0.469 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822520282 606826465 /nfs/dbraw/zinc/82/64/65/606826465.db2.gz WWJCHELXAVLFPP-JTQLQIEISA-N -1 1 383.416 0.541 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822520282 606826466 /nfs/dbraw/zinc/82/64/66/606826466.db2.gz WWJCHELXAVLFPP-JTQLQIEISA-N -1 1 383.416 0.541 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(C(N)=O)c1 ZINC000820788984 606829666 /nfs/dbraw/zinc/82/96/66/606829666.db2.gz SRIRVKPXYPRRII-NSHDSACASA-N -1 1 393.411 0.107 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(C(N)=O)c1 ZINC000820788984 606829668 /nfs/dbraw/zinc/82/96/68/606829668.db2.gz SRIRVKPXYPRRII-NSHDSACASA-N -1 1 393.411 0.107 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000820789150 606829853 /nfs/dbraw/zinc/82/98/53/606829853.db2.gz WKYISRTYQOQEBN-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000820789150 606829855 /nfs/dbraw/zinc/82/98/55/606829855.db2.gz WKYISRTYQOQEBN-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc(C=O)c1 ZINC000820788416 606830010 /nfs/dbraw/zinc/83/00/10/606830010.db2.gz GQPSHEWRCPHPFF-SNVBAGLBSA-N -1 1 384.425 0.882 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc(C=O)c1 ZINC000820788416 606830011 /nfs/dbraw/zinc/83/00/11/606830011.db2.gz GQPSHEWRCPHPFF-SNVBAGLBSA-N -1 1 384.425 0.882 20 0 GCADMM Cc1ncc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000822472409 606835151 /nfs/dbraw/zinc/83/51/51/606835151.db2.gz RVMGZNRBTBOVNL-SNVBAGLBSA-N -1 1 381.404 0.498 20 0 GCADMM Cc1ncc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000822472409 606835153 /nfs/dbraw/zinc/83/51/53/606835153.db2.gz RVMGZNRBTBOVNL-SNVBAGLBSA-N -1 1 381.404 0.498 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1cccn(C)c1=O ZINC000820789001 606835712 /nfs/dbraw/zinc/83/57/12/606835712.db2.gz SYXYSRYGWJJUCV-LLVKDONJSA-N -1 1 396.415 0.098 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1cccn(C)c1=O ZINC000820789001 606835714 /nfs/dbraw/zinc/83/57/14/606835714.db2.gz SYXYSRYGWJJUCV-LLVKDONJSA-N -1 1 396.415 0.098 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(c2nccs2)CC1 ZINC000823607228 606841492 /nfs/dbraw/zinc/84/14/92/606841492.db2.gz RWGZAEDZXWCQHQ-UHFFFAOYSA-N -1 1 395.445 0.973 20 0 GCADMM COC(=O)CC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821658821 606842887 /nfs/dbraw/zinc/84/28/87/606842887.db2.gz JUHGTYVZGZRELF-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM CO[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000821675205 606845242 /nfs/dbraw/zinc/84/52/42/606845242.db2.gz GKFRTIPFVBEOQW-MRVPVSSYSA-N -1 1 397.392 0.917 20 0 GCADMM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821692265 606845914 /nfs/dbraw/zinc/84/59/14/606845914.db2.gz SLMKNNPGSSNSTP-NSHDSACASA-N -1 1 385.421 0.679 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823606260 606847418 /nfs/dbraw/zinc/84/74/18/606847418.db2.gz HSTMNBZZVVAGMI-OLZOCXBDSA-N -1 1 383.405 0.574 20 0 GCADMM CC[C@@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820870012 606848152 /nfs/dbraw/zinc/84/81/52/606848152.db2.gz LAEPYYNZSLDFDA-NEPJUHHUSA-N -1 1 380.478 0.543 20 0 GCADMM CC[C@@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820870012 606848154 /nfs/dbraw/zinc/84/81/54/606848154.db2.gz LAEPYYNZSLDFDA-NEPJUHHUSA-N -1 1 380.478 0.543 20 0 GCADMM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820736004 606848174 /nfs/dbraw/zinc/84/81/74/606848174.db2.gz WKQGWMVXELMCHT-GWCFXTLKSA-N -1 1 391.457 0.187 20 0 GCADMM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820736004 606848176 /nfs/dbraw/zinc/84/81/76/606848176.db2.gz WKQGWMVXELMCHT-GWCFXTLKSA-N -1 1 391.457 0.187 20 0 GCADMM CCCCN(C)S(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821060364 606848414 /nfs/dbraw/zinc/84/84/14/606848414.db2.gz BXOMSESPTKCFMO-GFCCVEGCSA-N -1 1 395.493 0.144 20 0 GCADMM CCCCN(C)S(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821060364 606848416 /nfs/dbraw/zinc/84/84/16/606848416.db2.gz BXOMSESPTKCFMO-GFCCVEGCSA-N -1 1 395.493 0.144 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820206437 606854436 /nfs/dbraw/zinc/85/44/36/606854436.db2.gz KMSZTCZXBWDIGW-GFCCVEGCSA-N -1 1 394.443 0.921 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820206437 606854437 /nfs/dbraw/zinc/85/44/37/606854437.db2.gz KMSZTCZXBWDIGW-GFCCVEGCSA-N -1 1 394.443 0.921 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2COc3c2cccc3Cl)n(C)c1=O ZINC000822599228 606877985 /nfs/dbraw/zinc/87/79/85/606877985.db2.gz BYDGRDHTEVSYTN-SECBINFHSA-N -1 1 375.776 0.463 20 0 GCADMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000822884860 606885288 /nfs/dbraw/zinc/88/52/88/606885288.db2.gz BQXSGVNSKKARKL-UHFFFAOYSA-N -1 1 394.363 0.722 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc3c(c2)CCS3(=O)=O)n1 ZINC000822619538 606908797 /nfs/dbraw/zinc/90/87/97/606908797.db2.gz ADVVBXCEVJXKAF-UHFFFAOYSA-N -1 1 388.413 0.252 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc3c(c2)CCS3(=O)=O)n1 ZINC000822619538 606908798 /nfs/dbraw/zinc/90/87/98/606908798.db2.gz ADVVBXCEVJXKAF-UHFFFAOYSA-N -1 1 388.413 0.252 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(Cc3ccc(F)c(F)c3)C2)n(C)c1=O ZINC000822600721 606921507 /nfs/dbraw/zinc/92/15/07/606921507.db2.gz QWWMULLZMMVHRM-UHFFFAOYSA-N -1 1 389.366 0.221 20 0 GCADMM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000820137791 606923857 /nfs/dbraw/zinc/92/38/57/606923857.db2.gz OHZXXLZPUPKYLX-UHFFFAOYSA-N -1 1 391.413 0.634 20 0 GCADMM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000820137791 606923859 /nfs/dbraw/zinc/92/38/59/606923859.db2.gz OHZXXLZPUPKYLX-UHFFFAOYSA-N -1 1 391.413 0.634 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000823536197 606943954 /nfs/dbraw/zinc/94/39/54/606943954.db2.gz VHGKODWSKPMBPI-QWHCGFSZSA-N -1 1 380.405 0.438 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1COC(=O)O1 ZINC000822459734 606945233 /nfs/dbraw/zinc/94/52/33/606945233.db2.gz URUKISPMLVUANZ-SNVBAGLBSA-N -1 1 387.356 0.537 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1COC(=O)O1 ZINC000822459734 606945235 /nfs/dbraw/zinc/94/52/35/606945235.db2.gz URUKISPMLVUANZ-SNVBAGLBSA-N -1 1 387.356 0.537 20 0 GCADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1C1CCCCC1 ZINC000823510827 607006878 /nfs/dbraw/zinc/00/68/78/607006878.db2.gz APZOROCXPAWJQD-CQSZACIVSA-N -1 1 391.457 0.474 20 0 GCADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1C1CCCCC1 ZINC000823510827 607006881 /nfs/dbraw/zinc/00/68/81/607006881.db2.gz APZOROCXPAWJQD-CQSZACIVSA-N -1 1 391.457 0.474 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821969944 607020627 /nfs/dbraw/zinc/02/06/27/607020627.db2.gz HFVRCAQQTWUEJI-GHMZBOCLSA-N -1 1 389.441 0.572 20 0 GCADMM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000819997328 607023604 /nfs/dbraw/zinc/02/36/04/607023604.db2.gz UCJYPAQQFIWCRM-GFCCVEGCSA-N -1 1 385.388 0.137 20 0 GCADMM COc1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1Cl ZINC000821818304 607037915 /nfs/dbraw/zinc/03/79/15/607037915.db2.gz OLBLDOJJZMAKBW-UHFFFAOYSA-N -1 1 377.792 0.538 20 0 GCADMM C[C@H]1CO[C@@H](CO)CN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820804436 607103281 /nfs/dbraw/zinc/10/32/81/607103281.db2.gz SIZWHTFPFHAUTJ-GXTWGEPZSA-N -1 1 398.427 0.073 20 0 GCADMM C[C@H]1CO[C@@H](CO)CN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820804436 607103282 /nfs/dbraw/zinc/10/32/82/607103282.db2.gz SIZWHTFPFHAUTJ-GXTWGEPZSA-N -1 1 398.427 0.073 20 0 GCADMM Cn1ccnc1[C@@](O)(CC(=O)Nc1ncc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000822694197 607104998 /nfs/dbraw/zinc/10/49/98/607104998.db2.gz YMNIKEARHHKKRM-NSHDSACASA-N -1 1 388.335 0.835 20 0 GCADMM Cn1ccnc1[C@@](O)(CC(=O)Nc1ncc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000822694197 607105000 /nfs/dbraw/zinc/10/50/00/607105000.db2.gz YMNIKEARHHKKRM-NSHDSACASA-N -1 1 388.335 0.835 20 0 GCADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822963901 607106493 /nfs/dbraw/zinc/10/64/93/607106493.db2.gz APIBQTQQJYFXCX-RKDXNWHRSA-N -1 1 375.414 0.827 20 0 GCADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822963901 607106494 /nfs/dbraw/zinc/10/64/94/607106494.db2.gz APIBQTQQJYFXCX-RKDXNWHRSA-N -1 1 375.414 0.827 20 0 GCADMM NC(=O)c1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nn1-c1ccccc1 ZINC000822880389 607108029 /nfs/dbraw/zinc/10/80/29/607108029.db2.gz PBQKIGHMUURJHO-UHFFFAOYSA-N -1 1 381.381 0.860 20 0 GCADMM NC(=O)c1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nn1-c1ccccc1 ZINC000822880389 607108031 /nfs/dbraw/zinc/10/80/31/607108031.db2.gz PBQKIGHMUURJHO-UHFFFAOYSA-N -1 1 381.381 0.860 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@](C)(c3ccccc3)C2)n(C)c1=O ZINC000822600987 607117235 /nfs/dbraw/zinc/11/72/35/607117235.db2.gz RZPAOMZCBHYTEZ-SFHVURJKSA-N -1 1 383.412 0.016 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCNC(=O)OC(C)(C)C ZINC000820788818 607127149 /nfs/dbraw/zinc/12/71/49/607127149.db2.gz OZJJTUKSWONJBA-LBPRGKRZSA-N -1 1 389.464 0.692 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCNC(=O)OC(C)(C)C ZINC000820788818 607127151 /nfs/dbraw/zinc/12/71/51/607127151.db2.gz OZJJTUKSWONJBA-LBPRGKRZSA-N -1 1 389.464 0.692 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCCS(C)(=O)=O ZINC000822010368 607132162 /nfs/dbraw/zinc/13/21/62/607132162.db2.gz ZTXHRQJOKXYXRC-UHFFFAOYSA-N -1 1 397.457 0.885 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCc1ccnn1C ZINC000822459583 607132827 /nfs/dbraw/zinc/13/28/27/607132827.db2.gz TVBFRVSKERIHGB-UHFFFAOYSA-N -1 1 395.427 0.978 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCc1ccnn1C ZINC000822459583 607132829 /nfs/dbraw/zinc/13/28/29/607132829.db2.gz TVBFRVSKERIHGB-UHFFFAOYSA-N -1 1 395.427 0.978 20 0 GCADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)NCCO ZINC000822211476 607141238 /nfs/dbraw/zinc/14/12/38/607141238.db2.gz AICKKCLIJWUHRN-UHFFFAOYSA-N -1 1 383.368 0.409 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCS[C@H]2COCC[C@@H]21 ZINC000823601300 607146506 /nfs/dbraw/zinc/14/65/06/607146506.db2.gz ZLLHGLRIAQPETK-STQMWFEESA-N -1 1 385.446 0.901 20 0 GCADMM Cc1nn(C[C@@H](O)COc2cccc3[nH]ccc32)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500973 607150970 /nfs/dbraw/zinc/15/09/70/607150970.db2.gz PGNGKALRPYAJEO-GFCCVEGCSA-N -1 1 381.396 0.961 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(-c3ccccc3C)n2)c1=O ZINC000821565346 607157381 /nfs/dbraw/zinc/15/73/81/607157381.db2.gz OTBIVSMEPCJSMI-UHFFFAOYSA-N -1 1 380.368 0.617 20 0 GCADMM CCS[C@@H](C)c1noc(Cn2c(=O)c(-c3nn[n-]n3)cn(CC)c2=O)n1 ZINC000821446628 607161113 /nfs/dbraw/zinc/16/11/13/607161113.db2.gz BMIUATXNWIRDEK-QMMMGPOBSA-N -1 1 378.418 0.455 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@](C)(CO)C1CC1 ZINC000822458620 607187027 /nfs/dbraw/zinc/18/70/27/607187027.db2.gz GCLWVXOFYFGXKM-GOSISDBHSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@](C)(CO)C1CC1 ZINC000822458620 607187028 /nfs/dbraw/zinc/18/70/28/607187028.db2.gz GCLWVXOFYFGXKM-GOSISDBHSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000822005397 607187762 /nfs/dbraw/zinc/18/77/62/607187762.db2.gz QVEQAORFRLUJHG-CABZTGNLSA-N -1 1 376.417 0.125 20 0 GCADMM O=C(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(Cl)ccc1Cl ZINC000823126293 607205184 /nfs/dbraw/zinc/20/51/84/607205184.db2.gz HFNFBZQAGBLOIG-UHFFFAOYSA-N -1 1 396.198 0.520 20 0 GCADMM C[C@@H]1CN(c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)C[C@H](C)O1 ZINC000820777128 607208128 /nfs/dbraw/zinc/20/81/28/607208128.db2.gz PLFCXUUQDGJYLV-PHIMTYICSA-N -1 1 384.404 0.106 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820334178 607208189 /nfs/dbraw/zinc/20/81/89/607208189.db2.gz KMMSGVCPHMKJRY-JTQLQIEISA-N -1 1 396.415 0.620 20 0 GCADMM Cn1ccnc1COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822699079 607208328 /nfs/dbraw/zinc/20/83/28/607208328.db2.gz NJYXNSVRCBVGGS-UHFFFAOYSA-N -1 1 380.372 0.409 20 0 GCADMM C[C@@H]1CN(c2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000820776898 607208961 /nfs/dbraw/zinc/20/89/61/607208961.db2.gz NOTMXRYTUIGJHI-TXEJJXNPSA-N -1 1 383.416 0.711 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000823131955 607209123 /nfs/dbraw/zinc/20/91/23/607209123.db2.gz SBZVZBBGGYKNOO-UHFFFAOYSA-N -1 1 387.791 0.643 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000823126621 607209913 /nfs/dbraw/zinc/20/99/13/607209913.db2.gz KJYCSPIFKNOOJL-OAHLLOKOSA-N -1 1 382.384 0.497 20 0 GCADMM CC(C)CC(=O)Nc1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000820051110 607210866 /nfs/dbraw/zinc/21/08/66/607210866.db2.gz LHENRLOQVFUEJV-UHFFFAOYSA-N -1 1 383.416 0.759 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(N2CCOC2=O)c1 ZINC000820333989 607210981 /nfs/dbraw/zinc/21/09/81/607210981.db2.gz IHVDGCYLKWNGCY-SNVBAGLBSA-N -1 1 383.372 0.292 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000820335386 607211039 /nfs/dbraw/zinc/21/10/39/607211039.db2.gz XOJWGDNPEYGDKR-LLVKDONJSA-N -1 1 381.400 0.462 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000820335137 607211097 /nfs/dbraw/zinc/21/10/97/607211097.db2.gz UAVZNFQBGQTEHF-SNVBAGLBSA-N -1 1 383.372 0.292 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000823367713 607211164 /nfs/dbraw/zinc/21/11/64/607211164.db2.gz NWIIMLBZNGYBTA-UHFFFAOYSA-N -1 1 396.415 0.271 20 0 GCADMM Cc1c(Cl)cccc1NC(=O)CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822034694 607212788 /nfs/dbraw/zinc/21/27/88/607212788.db2.gz JRTWQKMRQSJYCS-UHFFFAOYSA-N -1 1 389.807 0.565 20 0 GCADMM CCOC(=O)c1oc2ccccc2c1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821346820 607213643 /nfs/dbraw/zinc/21/36/43/607213643.db2.gz QEEZKAHIRZZHEH-UHFFFAOYSA-N -1 1 396.367 0.698 20 0 GCADMM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822496707 607215207 /nfs/dbraw/zinc/21/52/07/607215207.db2.gz SWNZFQRCLGXUHF-VIFPVBQESA-N -1 1 376.812 0.517 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCc1cccc(Br)c1 ZINC000823132055 607216236 /nfs/dbraw/zinc/21/62/36/607216236.db2.gz XINABZUVDVBYIN-UHFFFAOYSA-N -1 1 391.233 0.970 20 0 GCADMM CC(C)c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n(-c2ncccn2)n1 ZINC000820187485 607216562 /nfs/dbraw/zinc/21/65/62/607216562.db2.gz DBUDBLIFCYQKKS-UHFFFAOYSA-N -1 1 380.376 0.196 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000820735095 607216687 /nfs/dbraw/zinc/21/66/87/607216687.db2.gz QDUGKPLIRZCUPD-PHIMTYICSA-N -1 1 391.436 0.315 20 0 GCADMM CC(C)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)NC(=O)OC(C)(C)C ZINC000820021059 607217231 /nfs/dbraw/zinc/21/72/31/607217231.db2.gz OWONVNHBMFLQCU-SNVBAGLBSA-N -1 1 379.425 0.124 20 0 GCADMM CN(C)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000821579746 607217467 /nfs/dbraw/zinc/21/74/67/607217467.db2.gz MFYRWRXKTMHWCF-LLVKDONJSA-N -1 1 377.359 0.156 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000823123083 607218472 /nfs/dbraw/zinc/21/84/72/607218472.db2.gz NBJYGZUZUDANAI-UHFFFAOYSA-N -1 1 384.244 0.802 20 0 GCADMM CN(C)c1ccc(N2CCC(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000821589533 607219684 /nfs/dbraw/zinc/21/96/84/607219684.db2.gz RVWLZJQJTNILLA-UHFFFAOYSA-N -1 1 396.459 0.309 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2cccc(F)c2)no1 ZINC000820335124 607219900 /nfs/dbraw/zinc/21/99/00/607219900.db2.gz TXESQOGDIGIJCY-MRVPVSSYSA-N -1 1 384.335 0.525 20 0 GCADMM COc1ccccc1-c1noc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000821882807 607220131 /nfs/dbraw/zinc/22/01/31/607220131.db2.gz LGZOFCZWINGEMF-SECBINFHSA-N -1 1 396.371 0.394 20 0 GCADMM CCOC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1C ZINC000821326237 607220746 /nfs/dbraw/zinc/22/07/46/607220746.db2.gz VPJBZDOKCPSXKW-CYBMUJFWSA-N -1 1 384.400 0.577 20 0 GCADMM COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000821640892 607220877 /nfs/dbraw/zinc/22/08/77/607220877.db2.gz RFIRMRYKSULIAI-LLVKDONJSA-N -1 1 376.764 0.142 20 0 GCADMM COC(=O)c1sc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc1C(C)(C)C ZINC000821671470 607221389 /nfs/dbraw/zinc/22/13/89/607221389.db2.gz XJNKUCZCINJDFQ-UHFFFAOYSA-N -1 1 391.417 0.638 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000823123226 607222316 /nfs/dbraw/zinc/22/23/16/607222316.db2.gz SVLUFEARBCWMPD-CQSZACIVSA-N -1 1 394.395 0.814 20 0 GCADMM CCc1ccc(-c2noc([C@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)cc1 ZINC000821476952 607223433 /nfs/dbraw/zinc/22/34/33/607223433.db2.gz WGVWDZSKQNUGDY-JTQLQIEISA-N -1 1 394.399 0.948 20 0 GCADMM CCc1ccc(-c2noc([C@@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)cc1 ZINC000821476953 607223550 /nfs/dbraw/zinc/22/35/50/607223550.db2.gz WGVWDZSKQNUGDY-SNVBAGLBSA-N -1 1 394.399 0.948 20 0 GCADMM NC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822873771 607231004 /nfs/dbraw/zinc/23/10/04/607231004.db2.gz INFZOKBTQKVZSH-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000822609270 607236589 /nfs/dbraw/zinc/23/65/89/607236589.db2.gz LUJNWUJRTDYTGF-VIFPVBQESA-N -1 1 377.409 0.731 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000822609270 607236590 /nfs/dbraw/zinc/23/65/90/607236590.db2.gz LUJNWUJRTDYTGF-VIFPVBQESA-N -1 1 377.409 0.731 20 0 GCADMM COc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccco1 ZINC000821882943 607251301 /nfs/dbraw/zinc/25/13/01/607251301.db2.gz OABLCJQZGYGTCP-HNNXBMFYSA-N -1 1 380.368 0.966 20 0 GCADMM CCN(CCS(C)(=O)=O)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825424782 607801390 /nfs/dbraw/zinc/80/13/90/607801390.db2.gz QKTABDWHXUNINM-SNVBAGLBSA-N -1 1 384.462 0.770 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000826328525 607809150 /nfs/dbraw/zinc/80/91/50/607809150.db2.gz URDDICMWLLULTB-JOCQHMNTSA-N -1 1 384.444 0.879 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000826328525 607809151 /nfs/dbraw/zinc/80/91/51/607809151.db2.gz URDDICMWLLULTB-JOCQHMNTSA-N -1 1 384.444 0.879 20 0 GCADMM CCc1nn(CC2(CS(C)(=O)=O)CCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763338 607809303 /nfs/dbraw/zinc/80/93/03/607809303.db2.gz UZWKVXHQVWEATP-UHFFFAOYSA-N -1 1 380.474 0.763 20 0 GCADMM CCCN(CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000825314131 607824085 /nfs/dbraw/zinc/82/40/85/607824085.db2.gz XRTJDQNUUZROED-UHFFFAOYSA-N -1 1 379.425 0.222 20 0 GCADMM O=C(c1ccc2[nH]cnc2c1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000826473610 607838598 /nfs/dbraw/zinc/83/85/98/607838598.db2.gz GKCBTSWVTSMNDB-UHFFFAOYSA-N -1 1 376.384 0.495 20 0 GCADMM O=C(c1ccc2[nH]cnc2c1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000826473610 607838599 /nfs/dbraw/zinc/83/85/99/607838599.db2.gz GKCBTSWVTSMNDB-UHFFFAOYSA-N -1 1 376.384 0.495 20 0 GCADMM O=C1NC[C@@H](CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)O1 ZINC000826482974 607858469 /nfs/dbraw/zinc/85/84/69/607858469.db2.gz WMSQUQIRNUIQJZ-JTQLQIEISA-N -1 1 386.372 0.345 20 0 GCADMM CCOC(=O)C1=C(COc2cccc(F)c2-c2nnn[n-]2)NC(=O)N[C@@H]1C ZINC000825498706 607865917 /nfs/dbraw/zinc/86/59/17/607865917.db2.gz AYRMAJJJJDALMF-MRVPVSSYSA-N -1 1 376.348 0.903 20 0 GCADMM CCOC(=O)C1=C(COc2cccc(F)c2-c2nn[n-]n2)NC(=O)N[C@@H]1C ZINC000825498706 607865918 /nfs/dbraw/zinc/86/59/18/607865918.db2.gz AYRMAJJJJDALMF-MRVPVSSYSA-N -1 1 376.348 0.903 20 0 GCADMM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826482053 607876617 /nfs/dbraw/zinc/87/66/17/607876617.db2.gz QLTUKJDJZGSBHY-JTQLQIEISA-N -1 1 384.377 0.898 20 0 GCADMM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826482053 607876618 /nfs/dbraw/zinc/87/66/18/607876618.db2.gz QLTUKJDJZGSBHY-JTQLQIEISA-N -1 1 384.377 0.898 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)co1 ZINC000826090642 607881280 /nfs/dbraw/zinc/88/12/80/607881280.db2.gz KLEAYTZECCWXQH-UHFFFAOYSA-N -1 1 376.398 0.640 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc([S@@](C)=O)cc1 ZINC000824650889 607902749 /nfs/dbraw/zinc/90/27/49/607902749.db2.gz VRKWUWLTUOMNEK-JNVGHINZSA-N -1 1 389.441 0.175 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CCOCC1 ZINC000824040426 607905861 /nfs/dbraw/zinc/90/58/61/607905861.db2.gz POTJMBBYOUSFFV-STQMWFEESA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CCOCC1 ZINC000824040426 607905862 /nfs/dbraw/zinc/90/58/62/607905862.db2.gz POTJMBBYOUSFFV-STQMWFEESA-N -1 1 386.460 0.757 20 0 GCADMM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826363784 607907263 /nfs/dbraw/zinc/90/72/63/607907263.db2.gz BMPHDNQXKHNFFJ-SNVBAGLBSA-N -1 1 377.405 0.918 20 0 GCADMM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826363784 607907264 /nfs/dbraw/zinc/90/72/64/607907264.db2.gz BMPHDNQXKHNFFJ-SNVBAGLBSA-N -1 1 377.405 0.918 20 0 GCADMM O=S(=O)(NCC1CCS(=O)(=O)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826496634 607907891 /nfs/dbraw/zinc/90/78/91/607907891.db2.gz CDLYNAHNZWZXSA-UHFFFAOYSA-N -1 1 389.434 0.109 20 0 GCADMM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826328876 607910776 /nfs/dbraw/zinc/91/07/76/607910776.db2.gz IDYJNZDBPVNWQZ-CYBMUJFWSA-N -1 1 392.427 0.808 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826091230 607919329 /nfs/dbraw/zinc/91/93/29/607919329.db2.gz ZSKYLIUOKHMUCO-UHFFFAOYSA-N -1 1 391.365 0.408 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCNc2ncccc2-c2nn[nH]n2)co1 ZINC000826090976 607923838 /nfs/dbraw/zinc/92/38/38/607923838.db2.gz SWQHKVVKAIVZKM-UHFFFAOYSA-N -1 1 393.385 0.032 20 0 GCADMM CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000823980745 607926989 /nfs/dbraw/zinc/92/69/89/607926989.db2.gz HCEZDRCXHQHIKF-GXTWGEPZSA-N -1 1 399.459 0.095 20 0 GCADMM CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000823980745 607926990 /nfs/dbraw/zinc/92/69/90/607926990.db2.gz HCEZDRCXHQHIKF-GXTWGEPZSA-N -1 1 399.459 0.095 20 0 GCADMM Cn1cc([C@@H](CO)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826358990 607938450 /nfs/dbraw/zinc/93/84/50/607938450.db2.gz QTEKIPQBGMJHOD-SNVBAGLBSA-N -1 1 383.821 0.266 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC(OCCO)CC1 ZINC000826495501 607938473 /nfs/dbraw/zinc/93/84/73/607938473.db2.gz RIBQHKLZHCUNNE-UHFFFAOYSA-N -1 1 387.849 0.682 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC(OCCO)CC1 ZINC000826495501 607938474 /nfs/dbraw/zinc/93/84/74/607938474.db2.gz RIBQHKLZHCUNNE-UHFFFAOYSA-N -1 1 387.849 0.682 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cn[nH]c1 ZINC000824492066 607940576 /nfs/dbraw/zinc/94/05/76/607940576.db2.gz XLUAVSLJJYSMTB-MNOVXSKESA-N -1 1 383.420 0.361 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cn[nH]c1 ZINC000824492066 607940577 /nfs/dbraw/zinc/94/05/77/607940577.db2.gz XLUAVSLJJYSMTB-MNOVXSKESA-N -1 1 383.420 0.361 20 0 GCADMM CCS(=O)(=O)c1ccc(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825669446 607960962 /nfs/dbraw/zinc/96/09/62/607960962.db2.gz XYAOXYSBWIYGMD-UHFFFAOYSA-N -1 1 375.414 0.712 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](CO)CC(C)C ZINC000826328013 607963631 /nfs/dbraw/zinc/96/36/31/607963631.db2.gz CKINDSINBLQXPR-CYBMUJFWSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](CO)CC(C)C ZINC000826328013 607963632 /nfs/dbraw/zinc/96/36/32/607963632.db2.gz CKINDSINBLQXPR-CYBMUJFWSA-N -1 1 386.460 0.982 20 0 GCADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489030 607971481 /nfs/dbraw/zinc/97/14/81/607971481.db2.gz GFXHKHTXGBYAPS-DZGCQCFKSA-N -1 1 375.385 0.942 20 0 GCADMM CCS(=O)(=O)CCN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825663284 607975081 /nfs/dbraw/zinc/97/50/81/607975081.db2.gz LCWFJRIHEGFVGM-UHFFFAOYSA-N -1 1 377.423 0.061 20 0 GCADMM CCS(=O)(=O)CCN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825663284 607975082 /nfs/dbraw/zinc/97/50/82/607975082.db2.gz LCWFJRIHEGFVGM-UHFFFAOYSA-N -1 1 377.423 0.061 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2cc[nH]n2)Cc2ccccc2)n(C)c1=O ZINC000826356071 607987527 /nfs/dbraw/zinc/98/75/27/607987527.db2.gz YZWJUHHRYUVDEI-UHFFFAOYSA-N -1 1 393.411 0.194 20 0 GCADMM Cn1cc([C@H]2[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CCC(=O)N2C)cn1 ZINC000826010978 607997311 /nfs/dbraw/zinc/99/73/11/607997311.db2.gz SBMLJGBKLXHGPB-WBMJQRKESA-N -1 1 396.411 0.854 20 0 GCADMM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826227937 608000946 /nfs/dbraw/zinc/00/09/46/608000946.db2.gz ZSNVKQMJSSXVOZ-IONNQARKSA-N -1 1 377.879 0.911 20 0 GCADMM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826227937 608000947 /nfs/dbraw/zinc/00/09/47/608000947.db2.gz ZSNVKQMJSSXVOZ-IONNQARKSA-N -1 1 377.879 0.911 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN([C@H]2CCOC2)CC1 ZINC000826495802 608001163 /nfs/dbraw/zinc/00/11/63/608001163.db2.gz BTJPGXJXBKVCIV-NSHDSACASA-N -1 1 382.421 0.101 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN([C@H]2CCOC2)CC1 ZINC000826495802 608001164 /nfs/dbraw/zinc/00/11/64/608001164.db2.gz BTJPGXJXBKVCIV-NSHDSACASA-N -1 1 382.421 0.101 20 0 GCADMM CC(C)C[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC000824234994 608011156 /nfs/dbraw/zinc/01/11/56/608011156.db2.gz ADUFDQVXLHWXOB-JTQLQIEISA-N -1 1 375.357 0.923 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccc(O)cc2)CC2CC2)n(C)c1=O ZINC000826356021 608017580 /nfs/dbraw/zinc/01/75/80/608017580.db2.gz XKGYKCUIQCBPSI-UHFFFAOYSA-N -1 1 383.412 0.386 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccc[nH]1 ZINC000824490483 608024353 /nfs/dbraw/zinc/02/43/53/608024353.db2.gz QBZFBEGUONXCPQ-VXGBXAGGSA-N -1 1 382.432 0.966 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccc[nH]1 ZINC000824490483 608024354 /nfs/dbraw/zinc/02/43/54/608024354.db2.gz QBZFBEGUONXCPQ-VXGBXAGGSA-N -1 1 382.432 0.966 20 0 GCADMM C[C@H]1CC(=O)NCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000824866899 608041208 /nfs/dbraw/zinc/04/12/08/608041208.db2.gz ODGRWKOGUODUEX-LBPRGKRZSA-N -1 1 395.427 0.201 20 0 GCADMM C[C@H]1CC(=O)NCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824866899 608041209 /nfs/dbraw/zinc/04/12/09/608041209.db2.gz ODGRWKOGUODUEX-LBPRGKRZSA-N -1 1 395.427 0.201 20 0 GCADMM COc1ccc(C[C@@H](C)CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000826191398 608052094 /nfs/dbraw/zinc/05/20/94/608052094.db2.gz FZYQZVSBAGZZFN-GFCCVEGCSA-N -1 1 399.455 0.588 20 0 GCADMM O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826398812 608075072 /nfs/dbraw/zinc/07/50/72/608075072.db2.gz GUYNMYLKTJBDTH-DZGCQCFKSA-N -1 1 394.443 0.755 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nn(-c3ccccc3)c3c2CCC3)c1=O ZINC000826356931 608095754 /nfs/dbraw/zinc/09/57/54/608095754.db2.gz LCTHGEWFRNPJBH-UHFFFAOYSA-N -1 1 390.407 0.450 20 0 GCADMM Cc1nn(-c2ccccc2)c(Cl)c1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826332963 608096026 /nfs/dbraw/zinc/09/60/26/608096026.db2.gz OKDAAHXJRDKDCA-UHFFFAOYSA-N -1 1 398.814 0.923 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2coc(-c3c(F)cccc3F)n2)c1=O ZINC000826356766 608096405 /nfs/dbraw/zinc/09/64/05/608096405.db2.gz DYNXCJLLMXNSLF-UHFFFAOYSA-N -1 1 387.306 0.709 20 0 GCADMM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824465742 608118668 /nfs/dbraw/zinc/11/86/68/608118668.db2.gz RSZWAHDOEJMAOJ-JTQLQIEISA-N -1 1 394.399 0.520 20 0 GCADMM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824465742 608118669 /nfs/dbraw/zinc/11/86/69/608118669.db2.gz RSZWAHDOEJMAOJ-JTQLQIEISA-N -1 1 394.399 0.520 20 0 GCADMM O=C1NC2(CO1)CCN(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826482651 608125548 /nfs/dbraw/zinc/12/55/48/608125548.db2.gz MAQDCMRACSILFB-UHFFFAOYSA-N -1 1 398.832 0.783 20 0 GCADMM O=C1NC2(CO1)CCN(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826482651 608125549 /nfs/dbraw/zinc/12/55/49/608125549.db2.gz MAQDCMRACSILFB-UHFFFAOYSA-N -1 1 398.832 0.783 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1ccccc1CN1CCCC1=O ZINC000826424928 608147744 /nfs/dbraw/zinc/14/77/44/608147744.db2.gz IUHQVHAWJNPIQI-UHFFFAOYSA-N -1 1 380.412 0.502 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1ccccc1CN1CCCC1=O ZINC000826424928 608147745 /nfs/dbraw/zinc/14/77/45/608147745.db2.gz IUHQVHAWJNPIQI-UHFFFAOYSA-N -1 1 380.412 0.502 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CCC1CC1 ZINC000825000813 608151560 /nfs/dbraw/zinc/15/15/60/608151560.db2.gz VOCAWSYQHOPPEY-LLVKDONJSA-N -1 1 378.462 0.297 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CCC1CC1 ZINC000825000813 608151562 /nfs/dbraw/zinc/15/15/62/608151562.db2.gz VOCAWSYQHOPPEY-LLVKDONJSA-N -1 1 378.462 0.297 20 0 GCADMM CCCn1c(C)nnc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825351869 608159684 /nfs/dbraw/zinc/15/96/84/608159684.db2.gz JZAXDMGSKPPPJQ-LBPRGKRZSA-N -1 1 383.464 0.677 20 0 GCADMM CCCn1c(C)nnc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825351869 608159685 /nfs/dbraw/zinc/15/96/85/608159685.db2.gz JZAXDMGSKPPPJQ-LBPRGKRZSA-N -1 1 383.464 0.677 20 0 GCADMM CNc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000826098970 608180927 /nfs/dbraw/zinc/18/09/27/608180927.db2.gz VABHKVGMEDXTNK-SECBINFHSA-N -1 1 386.445 0.506 20 0 GCADMM CNc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000826098970 608180928 /nfs/dbraw/zinc/18/09/28/608180928.db2.gz VABHKVGMEDXTNK-SECBINFHSA-N -1 1 386.445 0.506 20 0 GCADMM COCCNC(=O)Cn1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826160536 608185933 /nfs/dbraw/zinc/18/59/33/608185933.db2.gz VSEVJHQEQJANFJ-UHFFFAOYSA-N -1 1 383.825 0.679 20 0 GCADMM COCCNC(=O)Cn1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826160536 608185934 /nfs/dbraw/zinc/18/59/34/608185934.db2.gz VSEVJHQEQJANFJ-UHFFFAOYSA-N -1 1 383.825 0.679 20 0 GCADMM CC[C@@H](C)[C@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825058889 608193602 /nfs/dbraw/zinc/19/36/02/608193602.db2.gz BBEUPBLSFJXAFF-MFKMUULPSA-N -1 1 375.433 0.788 20 0 GCADMM CC(=O)Nc1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000824004894 608210766 /nfs/dbraw/zinc/21/07/66/608210766.db2.gz FIFSLDBYTZGPBQ-UHFFFAOYSA-N -1 1 390.433 0.292 20 0 GCADMM CC(=O)Nc1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000824004894 608210768 /nfs/dbraw/zinc/21/07/68/608210768.db2.gz FIFSLDBYTZGPBQ-UHFFFAOYSA-N -1 1 390.433 0.292 20 0 GCADMM Cc1nnc2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cn12 ZINC000826337439 608213498 /nfs/dbraw/zinc/21/34/98/608213498.db2.gz ORFCDCJFYOCWQQ-UHFFFAOYSA-N -1 1 381.404 0.228 20 0 GCADMM Cc1nnc2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cn12 ZINC000826337439 608213499 /nfs/dbraw/zinc/21/34/99/608213499.db2.gz ORFCDCJFYOCWQQ-UHFFFAOYSA-N -1 1 381.404 0.228 20 0 GCADMM CC(C)C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000824237697 608235907 /nfs/dbraw/zinc/23/59/07/608235907.db2.gz UEPJNVQTKRDAEO-SNVBAGLBSA-N -1 1 393.448 0.432 20 0 GCADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825148825 608239505 /nfs/dbraw/zinc/23/95/05/608239505.db2.gz UNORURJKBRFRND-XVKPBYJWSA-N -1 1 383.327 0.986 20 0 GCADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825148825 608239506 /nfs/dbraw/zinc/23/95/06/608239506.db2.gz UNORURJKBRFRND-XVKPBYJWSA-N -1 1 383.327 0.986 20 0 GCADMM Cn1ccc(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000826362774 608241913 /nfs/dbraw/zinc/24/19/13/608241913.db2.gz IBYGEDZTVQEHIQ-UHFFFAOYSA-N -1 1 398.431 0.497 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1CNC(=O)C1 ZINC000826328200 608249250 /nfs/dbraw/zinc/24/92/50/608249250.db2.gz IRHRHJGSUAHWAX-LLVKDONJSA-N -1 1 384.400 0.138 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1CNC(=O)C1 ZINC000826328200 608249251 /nfs/dbraw/zinc/24/92/51/608249251.db2.gz IRHRHJGSUAHWAX-LLVKDONJSA-N -1 1 384.400 0.138 20 0 GCADMM COC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)c(F)c1 ZINC000826151568 608297408 /nfs/dbraw/zinc/29/74/08/608297408.db2.gz DRONDWBSNUKLIO-LLVKDONJSA-N -1 1 393.354 0.342 20 0 GCADMM COC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)c(F)c1 ZINC000826151569 608297730 /nfs/dbraw/zinc/29/77/30/608297730.db2.gz DRONDWBSNUKLIO-NSHDSACASA-N -1 1 393.354 0.342 20 0 GCADMM COCC(=O)N1CCN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000826147994 608308662 /nfs/dbraw/zinc/30/86/62/608308662.db2.gz ULVOIKDIXNMMMH-UHFFFAOYSA-N -1 1 396.455 0.651 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000824469941 608340325 /nfs/dbraw/zinc/34/03/25/608340325.db2.gz DMKPZWAISBZHTF-KOLCDFICSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000824469941 608340327 /nfs/dbraw/zinc/34/03/27/608340327.db2.gz DMKPZWAISBZHTF-KOLCDFICSA-N -1 1 376.421 0.440 20 0 GCADMM CCOC(=O)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825506027 608340695 /nfs/dbraw/zinc/34/06/95/608340695.db2.gz BWSAXYYWARREIT-UHFFFAOYSA-N -1 1 392.420 0.216 20 0 GCADMM CCOC(=O)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825506027 608340697 /nfs/dbraw/zinc/34/06/97/608340697.db2.gz BWSAXYYWARREIT-UHFFFAOYSA-N -1 1 392.420 0.216 20 0 GCADMM Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cn1 ZINC000826288199 608340911 /nfs/dbraw/zinc/34/09/11/608340911.db2.gz VPAANYDPPIVJLG-UHFFFAOYSA-N -1 1 383.416 0.777 20 0 GCADMM Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cn1 ZINC000826288199 608340913 /nfs/dbraw/zinc/34/09/13/608340913.db2.gz VPAANYDPPIVJLG-UHFFFAOYSA-N -1 1 383.416 0.777 20 0 GCADMM CC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825204819 608342213 /nfs/dbraw/zinc/34/22/13/608342213.db2.gz SPWINPYJTRNDJP-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM CC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825204819 608342214 /nfs/dbraw/zinc/34/22/14/608342214.db2.gz SPWINPYJTRNDJP-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM Cc1cc(CN(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)no1 ZINC000826266082 608342833 /nfs/dbraw/zinc/34/28/33/608342833.db2.gz AXNGYRRMKWCDCV-UHFFFAOYSA-N -1 1 387.404 0.712 20 0 GCADMM Cc1cc(CN(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)no1 ZINC000826266082 608342834 /nfs/dbraw/zinc/34/28/34/608342834.db2.gz AXNGYRRMKWCDCV-UHFFFAOYSA-N -1 1 387.404 0.712 20 0 GCADMM CCC(O)(CC)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825148792 608351335 /nfs/dbraw/zinc/35/13/35/608351335.db2.gz UKQPDRTUVXZZSQ-UHFFFAOYSA-N -1 1 378.437 0.424 20 0 GCADMM CCC(O)(CC)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825148792 608351336 /nfs/dbraw/zinc/35/13/36/608351336.db2.gz UKQPDRTUVXZZSQ-UHFFFAOYSA-N -1 1 378.437 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCc3cncnc3C2)n1 ZINC000824142526 608353162 /nfs/dbraw/zinc/35/31/62/608353162.db2.gz VZMPWAHYZDJVPO-UHFFFAOYSA-N -1 1 396.415 0.132 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCc3cncnc3C2)n1 ZINC000824142526 608353164 /nfs/dbraw/zinc/35/31/64/608353164.db2.gz VZMPWAHYZDJVPO-UHFFFAOYSA-N -1 1 396.415 0.132 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@](C)(O)C2CC2)n1 ZINC000824669973 608353900 /nfs/dbraw/zinc/35/39/00/608353900.db2.gz JOMCWHKDFJJBOQ-INIZCTEOSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@](C)(O)C2CC2)n1 ZINC000824669973 608353901 /nfs/dbraw/zinc/35/39/01/608353901.db2.gz JOMCWHKDFJJBOQ-INIZCTEOSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824191850 608353998 /nfs/dbraw/zinc/35/39/98/608353998.db2.gz HADCGVAWVABTIZ-MRXNPFEDSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824191850 608354001 /nfs/dbraw/zinc/35/40/01/608354001.db2.gz HADCGVAWVABTIZ-MRXNPFEDSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCOC2CCC2)n1 ZINC000824147596 608354103 /nfs/dbraw/zinc/35/41/03/608354103.db2.gz FMAYOTBPQREKII-UHFFFAOYSA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCOC2CCC2)n1 ZINC000824147596 608354106 /nfs/dbraw/zinc/35/41/06/608354106.db2.gz FMAYOTBPQREKII-UHFFFAOYSA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)C[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824237098 608354270 /nfs/dbraw/zinc/35/42/70/608354270.db2.gz QUQSWLVQBDHBIG-SNVBAGLBSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)C[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824237098 608354272 /nfs/dbraw/zinc/35/42/72/608354272.db2.gz QUQSWLVQBDHBIG-SNVBAGLBSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)n1 ZINC000824148564 608354327 /nfs/dbraw/zinc/35/43/27/608354327.db2.gz ZXSWEKPFAZTCLK-PWSUYJOCSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)n1 ZINC000824148564 608354329 /nfs/dbraw/zinc/35/43/29/608354329.db2.gz ZXSWEKPFAZTCLK-PWSUYJOCSA-N -1 1 390.448 0.424 20 0 GCADMM C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C[C@H](C)O ZINC000824690261 608354546 /nfs/dbraw/zinc/35/45/46/608354546.db2.gz RNEYBYFDVJAIBV-ZJUUUORDSA-N -1 1 378.437 0.280 20 0 GCADMM C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C[C@H](C)O ZINC000824690261 608354547 /nfs/dbraw/zinc/35/45/47/608354547.db2.gz RNEYBYFDVJAIBV-ZJUUUORDSA-N -1 1 378.437 0.280 20 0 GCADMM CCC[C@@H](CCO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825242101 608354642 /nfs/dbraw/zinc/35/46/42/608354642.db2.gz IIWNDHNFHIIRAG-NSHDSACASA-N -1 1 392.464 0.672 20 0 GCADMM CCC[C@@H](CCO)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825242101 608354644 /nfs/dbraw/zinc/35/46/44/608354644.db2.gz IIWNDHNFHIIRAG-NSHDSACASA-N -1 1 392.464 0.672 20 0 GCADMM CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825051911 608354648 /nfs/dbraw/zinc/35/46/48/608354648.db2.gz UNVZFGCDEVAZGA-DYZYQPBXSA-N -1 1 392.464 0.670 20 0 GCADMM CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825051911 608354650 /nfs/dbraw/zinc/35/46/50/608354650.db2.gz UNVZFGCDEVAZGA-DYZYQPBXSA-N -1 1 392.464 0.670 20 0 GCADMM C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824691001 608354902 /nfs/dbraw/zinc/35/49/02/608354902.db2.gz WWQKUSAIEINIBA-JTQLQIEISA-N -1 1 392.464 0.670 20 0 GCADMM C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824691001 608354904 /nfs/dbraw/zinc/35/49/04/608354904.db2.gz WWQKUSAIEINIBA-JTQLQIEISA-N -1 1 392.464 0.670 20 0 GCADMM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824677065 608357671 /nfs/dbraw/zinc/35/76/71/608357671.db2.gz AOZWLHNJSPCRJA-WDEREUQCSA-N -1 1 390.448 0.376 20 0 GCADMM C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824677065 608357673 /nfs/dbraw/zinc/35/76/73/608357673.db2.gz AOZWLHNJSPCRJA-WDEREUQCSA-N -1 1 390.448 0.376 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)n1 ZINC000824148222 608357770 /nfs/dbraw/zinc/35/77/70/608357770.db2.gz PHTJCSSXLAPEPA-LLVKDONJSA-N -1 1 398.431 0.674 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CCOCC1 ZINC000824469865 608358011 /nfs/dbraw/zinc/35/80/11/608358011.db2.gz DITUBHYQBNRFAV-JTQLQIEISA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CCOCC1 ZINC000824469865 608358012 /nfs/dbraw/zinc/35/80/12/608358012.db2.gz DITUBHYQBNRFAV-JTQLQIEISA-N -1 1 390.448 0.688 20 0 GCADMM COC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CC1 ZINC000826149189 608359293 /nfs/dbraw/zinc/35/92/93/608359293.db2.gz BGYPTGOWNDNEOX-LLVKDONJSA-N -1 1 376.421 0.298 20 0 GCADMM COC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CC1 ZINC000826149189 608359295 /nfs/dbraw/zinc/35/92/95/608359295.db2.gz BGYPTGOWNDNEOX-LLVKDONJSA-N -1 1 376.421 0.298 20 0 GCADMM O=S(=O)(c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1)N1CCOCC1 ZINC000826495462 608389349 /nfs/dbraw/zinc/38/93/49/608389349.db2.gz PVVSKZREKJFOLT-UHFFFAOYSA-N -1 1 389.397 0.470 20 0 GCADMM O=S(=O)(c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1)N1CCOCC1 ZINC000826495462 608389350 /nfs/dbraw/zinc/38/93/50/608389350.db2.gz PVVSKZREKJFOLT-UHFFFAOYSA-N -1 1 389.397 0.470 20 0 GCADMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cn1C ZINC000825846322 608394268 /nfs/dbraw/zinc/39/42/68/608394268.db2.gz WJTQCMBGXYJPHK-UHFFFAOYSA-N -1 1 393.404 0.847 20 0 GCADMM CCOC(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC000825559080 608394675 /nfs/dbraw/zinc/39/46/75/608394675.db2.gz BGURHDFAVYVSLZ-UHFFFAOYSA-N -1 1 381.400 0.555 20 0 GCADMM CCOC(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC000825559080 608394679 /nfs/dbraw/zinc/39/46/79/608394679.db2.gz BGURHDFAVYVSLZ-UHFFFAOYSA-N -1 1 381.400 0.555 20 0 GCADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824044930 608399448 /nfs/dbraw/zinc/39/94/48/608399448.db2.gz BENUQOQJODYMIT-GFCCVEGCSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824044930 608399450 /nfs/dbraw/zinc/39/94/50/608399450.db2.gz BENUQOQJODYMIT-GFCCVEGCSA-N -1 1 397.418 0.945 20 0 GCADMM O=C1CCc2cc(OC[C@@H](O)CNc3ccc(-c4nnn[n-]4)nn3)ccc2N1 ZINC000826480495 608405836 /nfs/dbraw/zinc/40/58/36/608405836.db2.gz DTLCLJCGBKJCIL-NSHDSACASA-N -1 1 382.384 0.393 20 0 GCADMM O=C1CCc2cc(OC[C@@H](O)CNc3ccc(-c4nn[n-]n4)nn3)ccc2N1 ZINC000826480495 608405837 /nfs/dbraw/zinc/40/58/37/608405837.db2.gz DTLCLJCGBKJCIL-NSHDSACASA-N -1 1 382.384 0.393 20 0 GCADMM O=C1CCc2cc(OC[C@H](O)CNc3ccc(-c4nnn[n-]4)nn3)ccc2N1 ZINC000826480494 608405905 /nfs/dbraw/zinc/40/59/05/608405905.db2.gz DTLCLJCGBKJCIL-LLVKDONJSA-N -1 1 382.384 0.393 20 0 GCADMM O=C1CCc2cc(OC[C@H](O)CNc3ccc(-c4nn[n-]n4)nn3)ccc2N1 ZINC000826480494 608405906 /nfs/dbraw/zinc/40/59/06/608405906.db2.gz DTLCLJCGBKJCIL-LLVKDONJSA-N -1 1 382.384 0.393 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1OC ZINC000826213721 608407419 /nfs/dbraw/zinc/40/74/19/608407419.db2.gz JRCMGHPQBOSFAS-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1OC ZINC000826213721 608407421 /nfs/dbraw/zinc/40/74/21/608407421.db2.gz JRCMGHPQBOSFAS-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1ccccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826219953 608408196 /nfs/dbraw/zinc/40/81/96/608408196.db2.gz XDKPCIIZSROMEU-UHFFFAOYSA-N -1 1 385.432 0.955 20 0 GCADMM COc1ccccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826219953 608408198 /nfs/dbraw/zinc/40/81/98/608408198.db2.gz XDKPCIIZSROMEU-UHFFFAOYSA-N -1 1 385.432 0.955 20 0 GCADMM CN(C(=O)CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCCC1 ZINC000825818255 608411840 /nfs/dbraw/zinc/41/18/40/608411840.db2.gz YXVIKLVJIFDIJD-UHFFFAOYSA-N -1 1 385.476 0.570 20 0 GCADMM CN(C(=O)CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCCC1 ZINC000825818255 608411841 /nfs/dbraw/zinc/41/18/41/608411841.db2.gz YXVIKLVJIFDIJD-UHFFFAOYSA-N -1 1 385.476 0.570 20 0 GCADMM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825937438 608414361 /nfs/dbraw/zinc/41/43/61/608414361.db2.gz DXMHDZXLJZZPQG-UHFFFAOYSA-N -1 1 389.464 0.646 20 0 GCADMM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825937438 608414364 /nfs/dbraw/zinc/41/43/64/608414364.db2.gz DXMHDZXLJZZPQG-UHFFFAOYSA-N -1 1 389.464 0.646 20 0 GCADMM CCO[C@@H](C)c1noc(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC000825576511 608426521 /nfs/dbraw/zinc/42/65/21/608426521.db2.gz IQONZFBHRFHOQW-NSHDSACASA-N -1 1 386.420 0.459 20 0 GCADMM CCO[C@@H](C)c1noc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC000825576511 608426523 /nfs/dbraw/zinc/42/65/23/608426523.db2.gz IQONZFBHRFHOQW-NSHDSACASA-N -1 1 386.420 0.459 20 0 GCADMM COc1cc(OC)cc(N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2=O)c1 ZINC000826180905 608427704 /nfs/dbraw/zinc/42/77/04/608427704.db2.gz CJXQOSFTCQOHDR-OAHLLOKOSA-N -1 1 396.411 0.916 20 0 GCADMM COc1cc(OC)cc(N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2=O)c1 ZINC000826180905 608427706 /nfs/dbraw/zinc/42/77/06/608427706.db2.gz CJXQOSFTCQOHDR-OAHLLOKOSA-N -1 1 396.411 0.916 20 0 GCADMM COc1cc(OC)cc(N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2=O)c1 ZINC000826180904 608427933 /nfs/dbraw/zinc/42/79/33/608427933.db2.gz CJXQOSFTCQOHDR-HNNXBMFYSA-N -1 1 396.411 0.916 20 0 GCADMM COc1cc(OC)cc(N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2=O)c1 ZINC000826180904 608427935 /nfs/dbraw/zinc/42/79/35/608427935.db2.gz CJXQOSFTCQOHDR-HNNXBMFYSA-N -1 1 396.411 0.916 20 0 GCADMM COc1ccc(S(=O)(=O)N2CC(Nc3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000826211783 608438992 /nfs/dbraw/zinc/43/89/92/608438992.db2.gz UOMMSVUJUYTVSS-UHFFFAOYSA-N -1 1 387.425 0.755 20 0 GCADMM COc1ccc(S(=O)(=O)N2CC(Nc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000826211783 608438994 /nfs/dbraw/zinc/43/89/94/608438994.db2.gz UOMMSVUJUYTVSS-UHFFFAOYSA-N -1 1 387.425 0.755 20 0 GCADMM COc1ccc(S(=O)(=O)N2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826211509 608439012 /nfs/dbraw/zinc/43/90/12/608439012.db2.gz HWMFAFKLJLJXEZ-UHFFFAOYSA-N -1 1 388.413 0.150 20 0 GCADMM COc1ccc(S(=O)(=O)N2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826211509 608439014 /nfs/dbraw/zinc/43/90/14/608439014.db2.gz HWMFAFKLJLJXEZ-UHFFFAOYSA-N -1 1 388.413 0.150 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cccc(OC(C)(C)C)n2)n(C)c1=O ZINC000826355772 608441180 /nfs/dbraw/zinc/44/11/80/608441180.db2.gz MWQVWNBZQXISMR-UHFFFAOYSA-N -1 1 386.416 0.449 20 0 GCADMM Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826365644 608447254 /nfs/dbraw/zinc/44/72/54/608447254.db2.gz WSXIQUYIIPQPLM-SNVBAGLBSA-N -1 1 378.393 0.660 20 0 GCADMM Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826365644 608447255 /nfs/dbraw/zinc/44/72/55/608447255.db2.gz WSXIQUYIIPQPLM-SNVBAGLBSA-N -1 1 378.393 0.660 20 0 GCADMM Cc1oc(NC(=O)COC(=O)c2ccc3n[nH]c(=O)n3c2)c(-c2nn[n-]n2)c1C ZINC000826342583 608462396 /nfs/dbraw/zinc/46/23/96/608462396.db2.gz RJKLMAMTMBVUMU-UHFFFAOYSA-N -1 1 398.339 0.620 20 0 GCADMM Cc1nc(CN2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)oc1C ZINC000826325779 608472884 /nfs/dbraw/zinc/47/28/84/608472884.db2.gz LLOAVHVGVQNIIG-UHFFFAOYSA-N -1 1 386.420 0.555 20 0 GCADMM Cc1nc(CN2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)oc1C ZINC000826325779 608472886 /nfs/dbraw/zinc/47/28/86/608472886.db2.gz LLOAVHVGVQNIIG-UHFFFAOYSA-N -1 1 386.420 0.555 20 0 GCADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)sc2nccn12 ZINC000826234286 608555678 /nfs/dbraw/zinc/55/56/78/608555678.db2.gz PAMALIIZOOQQBE-UHFFFAOYSA-N -1 1 386.445 0.894 20 0 GCADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)sc2nccn12 ZINC000826234286 608555680 /nfs/dbraw/zinc/55/56/80/608555680.db2.gz PAMALIIZOOQQBE-UHFFFAOYSA-N -1 1 386.445 0.894 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1OCCc2ccccc21 ZINC000825923278 608556881 /nfs/dbraw/zinc/55/68/81/608556881.db2.gz FMYLLBMEAXSXRZ-HNNXBMFYSA-N -1 1 382.428 0.877 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1OCCc2ccccc21 ZINC000825923278 608556883 /nfs/dbraw/zinc/55/68/83/608556883.db2.gz FMYLLBMEAXSXRZ-HNNXBMFYSA-N -1 1 382.428 0.877 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCCn1ccccc1=O ZINC000825923295 608557734 /nfs/dbraw/zinc/55/77/34/608557734.db2.gz FWICPQZZPMEDOL-UHFFFAOYSA-N -1 1 385.432 0.205 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCCn1ccccc1=O ZINC000825923295 608557736 /nfs/dbraw/zinc/55/77/36/608557736.db2.gz FWICPQZZPMEDOL-UHFFFAOYSA-N -1 1 385.432 0.205 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCn1cc(Cl)cn1 ZINC000825929092 608557821 /nfs/dbraw/zinc/55/78/21/608557821.db2.gz AJEGKGYTZISKHE-UHFFFAOYSA-N -1 1 378.828 0.503 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCn1cc(Cl)cn1 ZINC000825929092 608557823 /nfs/dbraw/zinc/55/78/23/608557823.db2.gz AJEGKGYTZISKHE-UHFFFAOYSA-N -1 1 378.828 0.503 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000825923284 608558028 /nfs/dbraw/zinc/55/80/28/608558028.db2.gz FOEGGFGXWNKLNL-AWEZNQCLSA-N -1 1 384.444 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000825923284 608558030 /nfs/dbraw/zinc/55/80/30/608558030.db2.gz FOEGGFGXWNKLNL-AWEZNQCLSA-N -1 1 384.444 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCOC1CCOCC1 ZINC000825923296 608558175 /nfs/dbraw/zinc/55/81/75/608558175.db2.gz FYHDFINMMAPREO-UHFFFAOYSA-N -1 1 378.437 0.149 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCOC1CCOCC1 ZINC000825923296 608558177 /nfs/dbraw/zinc/55/81/77/608558177.db2.gz FYHDFINMMAPREO-UHFFFAOYSA-N -1 1 378.437 0.149 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(F)cc2nc[nH]c21 ZINC000825935176 608558262 /nfs/dbraw/zinc/55/82/62/608558262.db2.gz WGJLZEYKZWJRPK-UHFFFAOYSA-N -1 1 384.379 0.892 20 0 GCADMM Cc1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c2ccccn12 ZINC000826323281 608559530 /nfs/dbraw/zinc/55/95/30/608559530.db2.gz YCRBOYSHUSHQPQ-UHFFFAOYSA-N -1 1 380.416 0.833 20 0 GCADMM Cc1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c2ccccn12 ZINC000826323281 608559531 /nfs/dbraw/zinc/55/95/31/608559531.db2.gz YCRBOYSHUSHQPQ-UHFFFAOYSA-N -1 1 380.416 0.833 20 0 GCADMM Cc1nc2ccnn2c(C)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826328898 608559949 /nfs/dbraw/zinc/55/99/49/608559949.db2.gz ITXMYAXOKSTZGS-UHFFFAOYSA-N -1 1 395.431 0.536 20 0 GCADMM Cc1nc2ccnn2c(C)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826328898 608559951 /nfs/dbraw/zinc/55/99/51/608559951.db2.gz ITXMYAXOKSTZGS-UHFFFAOYSA-N -1 1 395.431 0.536 20 0 GCADMM COc1ccccc1NCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826220327 608561022 /nfs/dbraw/zinc/56/10/22/608561022.db2.gz KAUXXOWDWCFTTQ-UHFFFAOYSA-N -1 1 385.432 0.684 20 0 GCADMM COc1ccccc1NCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826220327 608561024 /nfs/dbraw/zinc/56/10/24/608561024.db2.gz KAUXXOWDWCFTTQ-UHFFFAOYSA-N -1 1 385.432 0.684 20 0 GCADMM C[C@H](O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826232298 608582089 /nfs/dbraw/zinc/58/20/89/608582089.db2.gz WQACWUDLWUIMLB-JTQLQIEISA-N -1 1 387.400 0.828 20 0 GCADMM CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825938637 608609421 /nfs/dbraw/zinc/60/94/21/608609421.db2.gz UCBLOLAGTILHTF-UHFFFAOYSA-N -1 1 379.425 0.931 20 0 GCADMM CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825938637 608609424 /nfs/dbraw/zinc/60/94/24/608609424.db2.gz UCBLOLAGTILHTF-UHFFFAOYSA-N -1 1 379.425 0.931 20 0 GCADMM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cc2[nH]c(O)nc2O)cc1 ZINC000826423563 608823305 /nfs/dbraw/zinc/82/33/05/608823305.db2.gz VJIFQHOGAQGESQ-OAHLLOKOSA-N -1 1 391.391 0.798 20 0 GCADMM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826482307 608824150 /nfs/dbraw/zinc/82/41/50/608824150.db2.gz ZOHTXGKDKIQTEO-JTQLQIEISA-N -1 1 383.393 0.931 20 0 GCADMM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826482307 608824152 /nfs/dbraw/zinc/82/41/52/608824152.db2.gz ZOHTXGKDKIQTEO-JTQLQIEISA-N -1 1 383.393 0.931 20 0 GCADMM COC(=O)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)(C(=O)OC)CC1 ZINC000826134519 608826176 /nfs/dbraw/zinc/82/61/76/608826176.db2.gz XKUQNGQCEJFJFD-UHFFFAOYSA-N -1 1 388.384 0.267 20 0 GCADMM COC(=O)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)(C(=O)OC)CC1 ZINC000826134519 608826178 /nfs/dbraw/zinc/82/61/78/608826178.db2.gz XKUQNGQCEJFJFD-UHFFFAOYSA-N -1 1 388.384 0.267 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000826425157 608890871 /nfs/dbraw/zinc/89/08/71/608890871.db2.gz RSKPWTCTFAFCHB-UHFFFAOYSA-N -1 1 394.439 0.343 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC[C@H]2CCCCO2)n1 ZINC000824148044 609138487 /nfs/dbraw/zinc/13/84/87/609138487.db2.gz LEAZZJLUEUHJBL-LLVKDONJSA-N -1 1 390.448 0.832 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC[C@H]2CCCCO2)n1 ZINC000824148044 609138490 /nfs/dbraw/zinc/13/84/90/609138490.db2.gz LEAZZJLUEUHJBL-LLVKDONJSA-N -1 1 390.448 0.832 20 0 GCADMM Cn1cc(-c2nc([C@@H]3COCCN3Cc3ccnc(-c4nnn[n-]4)c3)no2)cn1 ZINC000826356471 609151958 /nfs/dbraw/zinc/15/19/58/609151958.db2.gz SEPOHBQBLRMJOO-AWEZNQCLSA-N -1 1 394.399 0.619 20 0 GCADMM Cn1cc(-c2nc([C@@H]3COCCN3Cc3ccnc(-c4nn[n-]n4)c3)no2)cn1 ZINC000826356471 609151960 /nfs/dbraw/zinc/15/19/60/609151960.db2.gz SEPOHBQBLRMJOO-AWEZNQCLSA-N -1 1 394.399 0.619 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(C2CC2)nn1 ZINC000825929787 609159978 /nfs/dbraw/zinc/15/99/78/609159978.db2.gz JPMCGMAXBAZPKS-UHFFFAOYSA-N -1 1 383.420 0.936 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(C2CC2)nn1 ZINC000825929787 609159979 /nfs/dbraw/zinc/15/99/79/609159979.db2.gz JPMCGMAXBAZPKS-UHFFFAOYSA-N -1 1 383.420 0.936 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCOc3cc(F)ccc32)n(C)c1=O ZINC000826355502 609172228 /nfs/dbraw/zinc/17/22/28/609172228.db2.gz CIIJOBCGVBKRED-LLVKDONJSA-N -1 1 387.375 0.729 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826221753 609235870 /nfs/dbraw/zinc/23/58/70/609235870.db2.gz SUXCKPDXEGDZIK-LBPRGKRZSA-N -1 1 395.427 0.720 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826221753 609235872 /nfs/dbraw/zinc/23/58/72/609235872.db2.gz SUXCKPDXEGDZIK-LBPRGKRZSA-N -1 1 395.427 0.720 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824967624 609253142 /nfs/dbraw/zinc/25/31/42/609253142.db2.gz LPEYXESMDMLCFM-AOOOYVTPSA-N -1 1 376.421 0.393 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824967624 609253144 /nfs/dbraw/zinc/25/31/44/609253144.db2.gz LPEYXESMDMLCFM-AOOOYVTPSA-N -1 1 376.421 0.393 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@](C)(O)c1ccccc1 ZINC000825923524 609257296 /nfs/dbraw/zinc/25/72/96/609257296.db2.gz LDMPCPKSYVOYEM-SFHVURJKSA-N -1 1 384.444 0.861 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@](C)(O)c1ccccc1 ZINC000825923524 609257298 /nfs/dbraw/zinc/25/72/98/609257298.db2.gz LDMPCPKSYVOYEM-SFHVURJKSA-N -1 1 384.444 0.861 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826395111 609262917 /nfs/dbraw/zinc/26/29/17/609262917.db2.gz NAYWJUZSBPLNGH-UHFFFAOYSA-N -1 1 388.409 0.791 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826425640 609267634 /nfs/dbraw/zinc/26/76/34/609267634.db2.gz MFYJNVKBNYQJRD-ZDUSSCGKSA-N -1 1 382.432 0.964 20 0 GCADMM CN(CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)S(C)(=O)=O ZINC000825892490 609292314 /nfs/dbraw/zinc/29/23/14/609292314.db2.gz MLNCHVCUTUIHOQ-UHFFFAOYSA-N -1 1 394.392 0.021 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000825930013 609300729 /nfs/dbraw/zinc/30/07/29/609300729.db2.gz OAFMBKCCBVITPL-UHFFFAOYSA-N -1 1 398.431 0.045 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000825930013 609300731 /nfs/dbraw/zinc/30/07/31/609300731.db2.gz OAFMBKCCBVITPL-UHFFFAOYSA-N -1 1 398.431 0.045 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc2c(c1)CCO2 ZINC000825930019 609302623 /nfs/dbraw/zinc/30/26/23/609302623.db2.gz OCNJTZWLLNKUSM-UHFFFAOYSA-N -1 1 397.443 0.881 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc2c(c1)CCO2 ZINC000825930019 609302626 /nfs/dbraw/zinc/30/26/26/609302626.db2.gz OCNJTZWLLNKUSM-UHFFFAOYSA-N -1 1 397.443 0.881 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cn2c(n1)CCCC2 ZINC000825930780 609303046 /nfs/dbraw/zinc/30/30/46/609303046.db2.gz YZGDZJPAQZKDQZ-UHFFFAOYSA-N -1 1 399.463 0.479 20 0 GCADMM Cc1nn(C)cc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826334446 609303520 /nfs/dbraw/zinc/30/35/20/609303520.db2.gz VMLWPLQNCKFTCN-VIFPVBQESA-N -1 1 387.452 0.549 20 0 GCADMM Cc1nn(C)cc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826334446 609303521 /nfs/dbraw/zinc/30/35/21/609303521.db2.gz VMLWPLQNCKFTCN-VIFPVBQESA-N -1 1 387.452 0.549 20 0 GCADMM CCc1cnc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825733278 609303752 /nfs/dbraw/zinc/30/37/52/609303752.db2.gz AFRBZVNZOUELCZ-UHFFFAOYSA-N -1 1 390.477 0.965 20 0 GCADMM CCc1cnc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825733278 609303754 /nfs/dbraw/zinc/30/37/54/609303754.db2.gz AFRBZVNZOUELCZ-UHFFFAOYSA-N -1 1 390.477 0.965 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCOCc1ccccc1 ZINC000825929845 609303893 /nfs/dbraw/zinc/30/38/93/609303893.db2.gz MARHPYVEYCBSCW-UHFFFAOYSA-N -1 1 399.459 0.963 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCOCc1ccccc1 ZINC000825929845 609303895 /nfs/dbraw/zinc/30/38/95/609303895.db2.gz MARHPYVEYCBSCW-UHFFFAOYSA-N -1 1 399.459 0.963 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000825929181 609304073 /nfs/dbraw/zinc/30/40/73/609304073.db2.gz CDXKQOXNPSKZET-OASPWFOLSA-N -1 1 389.464 0.560 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000825929181 609304074 /nfs/dbraw/zinc/30/40/74/609304074.db2.gz CDXKQOXNPSKZET-OASPWFOLSA-N -1 1 389.464 0.560 20 0 GCADMM Cc1nn(C)c(C)c1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826333751 609304476 /nfs/dbraw/zinc/30/44/76/609304476.db2.gz TWVZJCYWMADNLR-UHFFFAOYSA-N -1 1 387.452 0.297 20 0 GCADMM Cc1nn(C)c(C)c1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826333751 609304478 /nfs/dbraw/zinc/30/44/78/609304478.db2.gz TWVZJCYWMADNLR-UHFFFAOYSA-N -1 1 387.452 0.297 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1(C)CCOCC1 ZINC000825930367 609305274 /nfs/dbraw/zinc/30/52/74/609305274.db2.gz VBNBSIAMBNJKTK-UHFFFAOYSA-N -1 1 377.453 0.563 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1(C)CCOCC1 ZINC000825930367 609305276 /nfs/dbraw/zinc/30/52/76/609305276.db2.gz VBNBSIAMBNJKTK-UHFFFAOYSA-N -1 1 377.453 0.563 20 0 GCADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000824492465 609309100 /nfs/dbraw/zinc/30/91/00/609309100.db2.gz ZGTUDRLNOGYVBQ-QWRGUYRKSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000824492465 609309101 /nfs/dbraw/zinc/30/91/01/609309101.db2.gz ZGTUDRLNOGYVBQ-QWRGUYRKSA-N -1 1 377.453 0.561 20 0 GCADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825132591 609309227 /nfs/dbraw/zinc/30/92/27/609309227.db2.gz BETFWCMVRHOREK-ZYHUDNBSSA-N -1 1 377.453 0.704 20 0 GCADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825132591 609309229 /nfs/dbraw/zinc/30/92/29/609309229.db2.gz BETFWCMVRHOREK-ZYHUDNBSSA-N -1 1 377.453 0.704 20 0 GCADMM CC(C)[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824216462 609309290 /nfs/dbraw/zinc/30/92/90/609309290.db2.gz RVWWHRXSRVDBIW-WCQYABFASA-N -1 1 391.480 0.950 20 0 GCADMM CC(C)[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824216462 609309292 /nfs/dbraw/zinc/30/92/92/609309292.db2.gz RVWWHRXSRVDBIW-WCQYABFASA-N -1 1 391.480 0.950 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC(C)(C)CCCO ZINC000825929841 609309849 /nfs/dbraw/zinc/30/98/49/609309849.db2.gz LSFDTYRJVNWMBF-UHFFFAOYSA-N -1 1 379.469 0.545 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC(C)(C)CCCO ZINC000825929841 609309850 /nfs/dbraw/zinc/30/98/50/609309850.db2.gz LSFDTYRJVNWMBF-UHFFFAOYSA-N -1 1 379.469 0.545 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1cscn1 ZINC000825929566 609309961 /nfs/dbraw/zinc/30/99/61/609309961.db2.gz IJUNXWKUPLGUOX-UHFFFAOYSA-N -1 1 376.450 0.445 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1cscn1 ZINC000825929566 609309962 /nfs/dbraw/zinc/30/99/62/609309962.db2.gz IJUNXWKUPLGUOX-UHFFFAOYSA-N -1 1 376.450 0.445 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC[C@@H]1CCCCO1 ZINC000825930382 609309982 /nfs/dbraw/zinc/30/99/82/609309982.db2.gz VJZCEWAXJLEEPH-NSHDSACASA-N -1 1 377.453 0.705 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC[C@@H]1CCCCO1 ZINC000825930382 609309983 /nfs/dbraw/zinc/30/99/83/609309983.db2.gz VJZCEWAXJLEEPH-NSHDSACASA-N -1 1 377.453 0.705 20 0 GCADMM CCOC(=O)CC[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825506531 609310119 /nfs/dbraw/zinc/31/01/19/609310119.db2.gz LHZAZVCUWTXLDA-JTQLQIEISA-N -1 1 393.452 0.478 20 0 GCADMM CCOC(=O)CC[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825506531 609310120 /nfs/dbraw/zinc/31/01/20/609310120.db2.gz LHZAZVCUWTXLDA-JTQLQIEISA-N -1 1 393.452 0.478 20 0 GCADMM Cc1cnccc1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826319882 609310387 /nfs/dbraw/zinc/31/03/87/609310387.db2.gz XMGXKKOJJVVHIV-UHFFFAOYSA-N -1 1 384.448 0.692 20 0 GCADMM Cc1cnccc1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826319882 609310388 /nfs/dbraw/zinc/31/03/88/609310388.db2.gz XMGXKKOJJVVHIV-UHFFFAOYSA-N -1 1 384.448 0.692 20 0 GCADMM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000825839139 609318522 /nfs/dbraw/zinc/31/85/22/609318522.db2.gz GEBMZHMAHOIRIW-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccccc2N2CCCCC2)n(C)c1=O ZINC000826355750 609321080 /nfs/dbraw/zinc/32/10/80/609321080.db2.gz LWXOPLZYLAWWMB-UHFFFAOYSA-N -1 1 396.455 0.867 20 0 GCADMM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826128482 609328848 /nfs/dbraw/zinc/32/88/48/609328848.db2.gz DOMUESPLSYQBPO-ZYHUDNBSSA-N -1 1 399.404 0.347 20 0 GCADMM Cn1nnnc1CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826367300 609361220 /nfs/dbraw/zinc/36/12/20/609361220.db2.gz TYLARQPPUFPUCL-UHFFFAOYSA-N -1 1 398.366 0.079 20 0 GCADMM Cc1nnc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1C ZINC000826335582 609361335 /nfs/dbraw/zinc/36/13/35/609361335.db2.gz SUNJYIVTJPRIPQ-UHFFFAOYSA-N -1 1 397.378 0.950 20 0 GCADMM O=C(NCCCOCCO)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826437057 609364252 /nfs/dbraw/zinc/36/42/52/609364252.db2.gz UPMANSQSDZTPGR-UHFFFAOYSA-N -1 1 390.379 0.712 20 0 GCADMM Nc1ncncc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826397228 609364633 /nfs/dbraw/zinc/36/46/33/609364633.db2.gz YDEWWVMGZAAIPX-UHFFFAOYSA-N -1 1 395.362 0.885 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N(CCO)CCCO ZINC000826458615 609365364 /nfs/dbraw/zinc/36/53/64/609365364.db2.gz YIKSLQXBHHGODO-UHFFFAOYSA-N -1 1 390.379 0.400 20 0 GCADMM COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826129631 609368540 /nfs/dbraw/zinc/36/85/40/609368540.db2.gz XCSBWQKIDCCTHD-NWDGAFQWSA-N -1 1 392.416 0.667 20 0 GCADMM Cc1oc(NC(=O)COC(=O)c2cccc(C(N)=O)n2)c(-c2nn[n-]n2)c1C ZINC000826342769 609395308 /nfs/dbraw/zinc/39/53/08/609395308.db2.gz YXUKCKHDVLVGPF-UHFFFAOYSA-N -1 1 385.340 0.366 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000826425593 609399407 /nfs/dbraw/zinc/39/94/07/609399407.db2.gz KNESRLPHXPMMBE-VIFPVBQESA-N -1 1 391.798 0.646 20 0 GCADMM CC[C@](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)(C(N)=O)C(C)C ZINC000825133865 609433681 /nfs/dbraw/zinc/43/36/81/609433681.db2.gz QTSNZWHVUICVAX-OAHLLOKOSA-N -1 1 379.446 0.709 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCN(CC(F)(F)F)C(C)C)c1=O ZINC000825796988 609435140 /nfs/dbraw/zinc/43/51/40/609435140.db2.gz SMGCDABHLXCMOB-UHFFFAOYSA-N -1 1 389.382 0.873 20 0 GCADMM CC(C)NS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824304630 609436507 /nfs/dbraw/zinc/43/65/07/609436507.db2.gz DNJOKEHVPLCIHE-UHFFFAOYSA-N -1 1 382.450 0.097 20 0 GCADMM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826333879 609470075 /nfs/dbraw/zinc/47/00/75/609470075.db2.gz YHQOUNGJFVVPSK-ZDUSSCGKSA-N -1 1 386.416 0.656 20 0 GCADMM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826333879 609470077 /nfs/dbraw/zinc/47/00/77/609470077.db2.gz YHQOUNGJFVVPSK-ZDUSSCGKSA-N -1 1 386.416 0.656 20 0 GCADMM O=S(=O)(C1CN(c2cccc(-c3nnn[n-]3)n2)C1)N1CCc2ccccc21 ZINC000826484010 609493949 /nfs/dbraw/zinc/49/39/49/609493949.db2.gz JSCXQLDVZJINME-UHFFFAOYSA-N -1 1 383.437 0.843 20 0 GCADMM O=S(=O)(C1CN(c2cccc(-c3nn[n-]n3)n2)C1)N1CCc2ccccc21 ZINC000826484010 609493951 /nfs/dbraw/zinc/49/39/51/609493951.db2.gz JSCXQLDVZJINME-UHFFFAOYSA-N -1 1 383.437 0.843 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2/C=C\c2ccccc2)n(C)c1=O ZINC000826355899 609579907 /nfs/dbraw/zinc/57/99/07/609579907.db2.gz ROUPLKZYCRDDQN-IWMPZKFUSA-N -1 1 379.424 0.946 20 0 GCADMM CC(C)[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000824337820 609587781 /nfs/dbraw/zinc/58/77/81/609587781.db2.gz ITDWHRUMSPONGD-SNVBAGLBSA-N -1 1 379.421 0.042 20 0 GCADMM COc1ccc2c(c1)CC[C@@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC000826212353 609590749 /nfs/dbraw/zinc/59/07/49/609590749.db2.gz NTYXTQSFGDLSJS-GFCCVEGCSA-N -1 1 383.412 0.242 20 0 GCADMM CN1CCO[C@H](CS(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000866839979 638429349 /nfs/dbraw/zinc/42/93/49/638429349.db2.gz SMESYCWBPDWRBM-UONOGXRCSA-N -1 1 382.404 0.687 20 0 GCADMM O=C(COc1ccc(I)cc1)NN1CC(=O)[N-]C1=O ZINC000052852228 638565043 /nfs/dbraw/zinc/56/50/43/638565043.db2.gz VTHASLSNJYMMMY-UHFFFAOYSA-N -1 1 375.122 0.253 20 0 GCADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)[C@@H]2C)c(Br)n1C ZINC000313363690 638631363 /nfs/dbraw/zinc/63/13/63/638631363.db2.gz OPAGZUWVXCISRI-HTRCEHHLSA-N -1 1 386.293 0.345 20 0 GCADMM CNC(=O)C1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC1 ZINC000728295020 639075243 /nfs/dbraw/zinc/07/52/43/639075243.db2.gz NHTBGUQMFRRPQT-UHFFFAOYSA-N -1 1 393.462 0.534 20 0 GCADMM COC(=O)[C@](C)(CO)NC(=O)c1ccc(I)cc1[O-] ZINC000909577080 639093185 /nfs/dbraw/zinc/09/31/85/639093185.db2.gz GMUOLFDCMGCHDG-LBPRGKRZSA-N -1 1 379.150 0.651 20 0 GCADMM COC(=O)[C@@](C)(CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000909590002 639098519 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WBVVDIMMIPEADK-VXGBXAGGSA-N -1 1 394.519 0.416 20 0 GCADMM O=C(COC(=O)Cn1ccc(C(F)(F)F)n1)N[N-]C(=O)c1cccs1 ZINC000058806902 639625195 /nfs/dbraw/zinc/62/51/95/639625195.db2.gz CIFPWHCEUXZGIF-UHFFFAOYSA-N -1 1 376.316 0.968 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(Cl)c(NC=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000060861801 639630666 /nfs/dbraw/zinc/63/06/66/639630666.db2.gz DSLHRNHYNBMJQC-UHFFFAOYSA-N -1 1 388.858 0.417 20 0 GCADMM CCNS(=O)(=O)CCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000731758954 639778568 /nfs/dbraw/zinc/77/85/68/639778568.db2.gz IOULLYQQIRADFH-UHFFFAOYSA-N -1 1 394.475 0.128 20 0 GCADMM CS(=O)(=O)Nc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)ccc1Cl ZINC000731853610 639780826 /nfs/dbraw/zinc/78/08/26/639780826.db2.gz MNEJIFUSYGIIEV-NSHDSACASA-N -1 1 386.821 0.438 20 0 GCADMM O=C(CN1C(=S)N=NC1c1cccs1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732091224 639791310 /nfs/dbraw/zinc/79/13/10/639791310.db2.gz WCAWLZLBQCELEV-QMMMGPOBSA-N -1 1 378.443 0.409 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)OCC2CC2)c(F)c1 ZINC000732219291 639794687 /nfs/dbraw/zinc/79/46/87/639794687.db2.gz JJLPXJOKSHWBKQ-UHFFFAOYSA-N -1 1 380.419 0.429 20 0 GCADMM COc1ncc(S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)s1 ZINC000915597725 639805486 /nfs/dbraw/zinc/80/54/86/639805486.db2.gz HCMRVTQNYYONNE-QMMMGPOBSA-N -1 1 375.394 0.693 20 0 GCADMM CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000921433115 639946061 /nfs/dbraw/zinc/94/60/61/639946061.db2.gz IJIKKDGMXMQNRR-NSHDSACASA-N -1 1 395.323 0.880 20 0 GCADMM COC(=O)CCc1nc(COC(=O)c2sccc2[N-]S(C)(=O)=O)no1 ZINC000733452864 639977718 /nfs/dbraw/zinc/97/77/18/639977718.db2.gz DVALAADKICQWKS-UHFFFAOYSA-N -1 1 389.411 0.965 20 0 GCADMM CNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000734490902 639997210 /nfs/dbraw/zinc/99/72/10/639997210.db2.gz ROQPZQQQHKYIMB-UHFFFAOYSA-N -1 1 383.195 0.399 20 0 GCADMM CSCC[C@@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)Nc1nnn[n-]1 ZINC000736155675 640040683 /nfs/dbraw/zinc/04/06/83/640040683.db2.gz CXVIXASRGPLANL-VPUINMBXSA-N -1 1 382.471 0.850 20 0 GCADMM CSCC[C@@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)Nc1nn[n-]n1 ZINC000736155675 640040689 /nfs/dbraw/zinc/04/06/89/640040689.db2.gz CXVIXASRGPLANL-VPUINMBXSA-N -1 1 382.471 0.850 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCNc2ncccn2)c(F)c1 ZINC000736329769 640044374 /nfs/dbraw/zinc/04/43/74/640044374.db2.gz LQIGVICNBWADPN-UHFFFAOYSA-N -1 1 389.434 0.378 20 0 GCADMM CCOC(=O)C1(COC(=O)c2coc(S(=O)(=O)[N-]C)c2)CCOCC1 ZINC000839074649 640203169 /nfs/dbraw/zinc/20/31/69/640203169.db2.gz RNYLWROGNKCCIP-UHFFFAOYSA-N -1 1 375.399 0.704 20 0 GCADMM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000867004975 640204977 /nfs/dbraw/zinc/20/49/77/640204977.db2.gz YBHMOFUDRRWQRG-MRVPVSSYSA-N -1 1 388.298 0.948 20 0 GCADMM CC(C)[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)c1nc(-c2ccncc2)no1 ZINC000742287534 640239150 /nfs/dbraw/zinc/23/91/50/640239150.db2.gz IOERVSWZVOZNMS-LBPRGKRZSA-N -1 1 388.471 0.793 20 0 GCADMM 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/nfs/dbraw/zinc/03/94/10/1206039410.db2.gz XIHACTDUISGEDN-CWTRNNRKSA-N -1 1 394.391 0.976 20 0 GCADMM COC(=O)[C@H](Cc1cncn1C)NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190628979 1206041421 /nfs/dbraw/zinc/04/14/21/1206041421.db2.gz HOFCEGLNGITOJX-AWEZNQCLSA-N -1 1 382.380 0.492 20 0 GCADMM CC(C)c1nnc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[nH]1 ZINC001190654143 1206041428 /nfs/dbraw/zinc/04/14/28/1206041428.db2.gz ASRQXXDVQMOPJC-UHFFFAOYSA-N -1 1 391.450 0.917 20 0 GCADMM O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1CCCN1S(=O)(=O)c1ncc[nH]1 ZINC001190715243 1206043288 /nfs/dbraw/zinc/04/32/88/1206043288.db2.gz FRVVWXQBLBZQNR-VIFPVBQESA-N -1 1 390.468 0.129 20 0 GCADMM Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(C)cc4c3C(=O)[N-]C4=O)C[C@@H]21 ZINC001164950666 721955151 /nfs/dbraw/zinc/95/51/51/721955151.db2.gz XDVDFPFJLHDXFV-HOTGVXAUSA-N -1 1 397.435 0.968 20 0 GCADMM O=C(CN1CCc2ccccc21)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737883986 945145468 /nfs/dbraw/zinc/14/54/68/945145468.db2.gz LVMLHKSLGSNGLN-UHFFFAOYSA-N -1 1 390.451 0.973 20 0 GCADMM O=C(CN1CCc2ccccc21)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737883986 945145476 /nfs/dbraw/zinc/14/54/76/945145476.db2.gz LVMLHKSLGSNGLN-UHFFFAOYSA-N -1 1 390.451 0.973 20 0 GCADMM O=C([O-])[C@]1(NC(=O)NCCCN2CCN(c3ccccc3)CC2)CCOC1 ZINC000908821334 939329205 /nfs/dbraw/zinc/32/92/05/939329205.db2.gz IAKCXKANRUHYND-IBGZPJMESA-N -1 1 376.457 0.742 20 0 GCADMM CN1CCN(c2ccc(CNC(=O)NC3(C(=O)[O-])CCSCC3)cn2)CC1 ZINC001119576565 939813362 /nfs/dbraw/zinc/81/33/62/939813362.db2.gz CJNWILCYVJTGQK-UHFFFAOYSA-N -1 1 393.513 0.983 20 0 GCADMM NC(=O)c1csc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571258069 945348471 /nfs/dbraw/zinc/34/84/71/945348471.db2.gz MDKGKAHHNPXUSI-KYZUINATSA-N -1 1 385.413 0.190 20 0 GCADMM NC(=O)c1csc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571258069 945348481 /nfs/dbraw/zinc/34/84/81/945348481.db2.gz MDKGKAHHNPXUSI-KYZUINATSA-N -1 1 385.413 0.190 20 0 GCADMM CCOC(=O)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCO1 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XNGUUPXYXGLKGZ-NWDGAFQWSA-N -1 1 385.432 0.118 20 0 GCADMM O=C([C@H]1CCCC(=O)N1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571260619 945420151 /nfs/dbraw/zinc/42/01/51/945420151.db2.gz XNGUUPXYXGLKGZ-NWDGAFQWSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(CN1CCCC1=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571260686 945422775 /nfs/dbraw/zinc/42/27/75/945422775.db2.gz ZLWCWMVAEQMQEK-UHFFFAOYSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(CN1CCCC1=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571260686 945422776 /nfs/dbraw/zinc/42/27/76/945422776.db2.gz ZLWCWMVAEQMQEK-UHFFFAOYSA-N -1 1 385.432 0.118 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccns2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571261486 945427174 /nfs/dbraw/zinc/42/71/74/945427174.db2.gz GJVGFHPFXYLQPV-QWRGUYRKSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)CCc1cscn1 ZINC001571261569 945427705 /nfs/dbraw/zinc/42/77/05/945427705.db2.gz GOMGKDMZGVUSAO-ZYHUDNBSSA-N -1 1 385.457 0.569 20 0 GCADMM CN(C(=O)c1ccc(=O)n(C)c1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571261679 945429345 /nfs/dbraw/zinc/42/93/45/945429345.db2.gz IHHQHIAPSFAHKH-UHFFFAOYSA-N -1 1 385.453 0.583 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)Cc3cncs3)CC2)n1 ZINC001571261819 945431110 /nfs/dbraw/zinc/43/11/10/945431110.db2.gz JJINLOQJAZKCSG-UHFFFAOYSA-N -1 1 385.457 0.567 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)Cc3cncs3)CC2)n1 ZINC001571261819 945431114 /nfs/dbraw/zinc/43/11/14/945431114.db2.gz JJINLOQJAZKCSG-UHFFFAOYSA-N -1 1 385.457 0.567 20 0 GCADMM CCc1ncsc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571262159 945435296 /nfs/dbraw/zinc/43/52/96/945435296.db2.gz NMZDTCLEARVOPN-SNVBAGLBSA-N -1 1 385.457 0.814 20 0 GCADMM Cc1nc(C)c(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571263524 945460781 /nfs/dbraw/zinc/46/07/81/945460781.db2.gz SLENZRNSCFNXKL-LLVKDONJSA-N -1 1 385.457 0.668 20 0 GCADMM Cc1nc(C)c(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571263524 945460792 /nfs/dbraw/zinc/46/07/92/945460792.db2.gz SLENZRNSCFNXKL-LLVKDONJSA-N -1 1 385.457 0.668 20 0 GCADMM O=C(CCc1cncs1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571263628 945463134 /nfs/dbraw/zinc/46/31/34/945463134.db2.gz VIACMGSTXUFEHY-LLVKDONJSA-N -1 1 385.457 0.571 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001571264981 945497215 /nfs/dbraw/zinc/49/72/15/945497215.db2.gz BTBOSFUJLXFQFR-GXSJLCMTSA-N -1 1 385.819 0.842 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571265511 945511149 /nfs/dbraw/zinc/51/11/49/945511149.db2.gz LBYFAHDCPZWJKG-SKDRFNHKSA-N -1 1 385.819 0.700 20 0 GCADMM C[C@H]1CN(C(=O)c2ccncc2Cl)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571265507 945512046 /nfs/dbraw/zinc/51/20/46/945512046.db2.gz LBYFAHDCPZWJKG-CABZTGNLSA-N -1 1 385.819 0.700 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001571265859 945524067 /nfs/dbraw/zinc/52/40/67/945524067.db2.gz QRZAIPXOXZCJCG-BXKDBHETSA-N -1 1 385.819 0.842 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001571265860 945524883 /nfs/dbraw/zinc/52/48/83/945524883.db2.gz QRZAIPXOXZCJCG-CABZTGNLSA-N -1 1 385.819 0.842 20 0 GCADMM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(-c3nnn[n-]3)s1)C2=O ZINC000820697621 945528846 /nfs/dbraw/zinc/52/88/46/945528846.db2.gz JPQBSWXLJVOCKH-AYVTZFPOSA-N -1 1 390.429 0.762 20 0 GCADMM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(-c3nn[n-]n3)s1)C2=O ZINC000820697621 945528857 /nfs/dbraw/zinc/52/88/57/945528857.db2.gz JPQBSWXLJVOCKH-AYVTZFPOSA-N -1 1 390.429 0.762 20 0 GCADMM O=C(Cc1cc(F)ccc1F)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571266944 945557504 /nfs/dbraw/zinc/55/75/04/945557504.db2.gz CXJJFBKAOMBPQM-GFCCVEGCSA-N -1 1 386.366 0.873 20 0 GCADMM O=C(Cc1cc(F)ccc1F)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571266944 945557516 /nfs/dbraw/zinc/55/75/16/945557516.db2.gz CXJJFBKAOMBPQM-GFCCVEGCSA-N -1 1 386.366 0.873 20 0 GCADMM COC(=O)c1ccn(CCCC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)n1 ZINC001571267248 945564511 /nfs/dbraw/zinc/56/45/11/945564511.db2.gz NTVPYBQNDVEXIV-UHFFFAOYSA-N -1 1 386.372 0.672 20 0 GCADMM O=C(CC(F)(F)F)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267468 945571290 /nfs/dbraw/zinc/57/12/90/945571290.db2.gz VZIZFLICOIJJOR-SECBINFHSA-N -1 1 386.338 0.060 20 0 GCADMM O=C(Cc1c(F)cccc1F)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267598 945572628 /nfs/dbraw/zinc/57/26/28/945572628.db2.gz ZLQWLNMJJBSDCQ-JTQLQIEISA-N -1 1 386.366 0.612 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267686 945577840 /nfs/dbraw/zinc/57/78/40/945577840.db2.gz BRAATAJBGMBJOB-VHSXEESVSA-N -1 1 386.395 0.838 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571267828 945579083 /nfs/dbraw/zinc/57/90/83/945579083.db2.gz GDTUOYYETFYDHU-GXSJLCMTSA-N -1 1 386.395 0.294 20 0 GCADMM COc1ncc(NC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1-c1nn[n-]n1 ZINC001571267884 945581815 /nfs/dbraw/zinc/58/18/15/945581815.db2.gz HMRQFRKTCCYALN-JTQLQIEISA-N -1 1 386.416 0.793 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267845 945582233 /nfs/dbraw/zinc/58/22/33/945582233.db2.gz GQESUOGFZMBWAJ-INIZCTEOSA-N -1 1 386.395 0.480 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571268426 945595446 /nfs/dbraw/zinc/59/54/46/945595446.db2.gz RQILXYDGVJAFJM-GRYCIOLGSA-N -1 1 386.416 0.083 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)C[C@H]2COC(=O)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571268426 945595453 /nfs/dbraw/zinc/59/54/53/945595453.db2.gz RQILXYDGVJAFJM-GRYCIOLGSA-N -1 1 386.416 0.083 20 0 GCADMM O=C(C[C@H]1COC(=O)C1)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571268571 945600728 /nfs/dbraw/zinc/60/07/28/945600728.db2.gz HMONNADCWDJFJP-IJLUTSLNSA-N -1 1 386.416 0.449 20 0 GCADMM O=C(C[C@H]1COC(=O)C1)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571268571 945600733 /nfs/dbraw/zinc/60/07/33/945600733.db2.gz HMONNADCWDJFJP-IJLUTSLNSA-N -1 1 386.416 0.449 20 0 GCADMM O=C(C[C@H]1COC(=O)C1)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571268774 945604571 /nfs/dbraw/zinc/60/45/71/945604571.db2.gz KDBPMJZNLFBDRY-VOMCLLRMSA-N -1 1 386.416 0.449 20 0 GCADMM O=C(C[C@H]1COC(=O)C1)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571268774 945604577 /nfs/dbraw/zinc/60/45/77/945604577.db2.gz KDBPMJZNLFBDRY-VOMCLLRMSA-N -1 1 386.416 0.449 20 0 GCADMM O=C(C1=COCCC1)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571269260 945616082 /nfs/dbraw/zinc/61/60/82/945616082.db2.gz TXWYJXHYOWUKNY-ZDUSSCGKSA-N -1 1 386.416 0.380 20 0 GCADMM O=C(C1=COCCC1)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571269260 945616089 /nfs/dbraw/zinc/61/60/89/945616089.db2.gz TXWYJXHYOWUKNY-ZDUSSCGKSA-N -1 1 386.416 0.380 20 0 GCADMM Cc1nnsc1C(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269698 945622843 /nfs/dbraw/zinc/62/28/43/945622843.db2.gz CJLKFCSUUCNCEC-VHSXEESVSA-N -1 1 386.445 0.827 20 0 GCADMM Cc1nnsc1C(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269698 945622848 /nfs/dbraw/zinc/62/28/48/945622848.db2.gz CJLKFCSUUCNCEC-VHSXEESVSA-N -1 1 386.445 0.827 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1csnn1 ZINC001571269658 945622921 /nfs/dbraw/zinc/62/29/21/945622921.db2.gz BQMZYBFBEVWXGL-ZJUUUORDSA-N -1 1 386.445 0.909 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1csnn1 ZINC001571269658 945622924 /nfs/dbraw/zinc/62/29/24/945622924.db2.gz BQMZYBFBEVWXGL-ZJUUUORDSA-N -1 1 386.445 0.909 20 0 GCADMM Cc1nnsc1C(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269679 945623823 /nfs/dbraw/zinc/62/38/23/945623823.db2.gz CATRJDVTYDXOCD-WCBMZHEXSA-N -1 1 386.445 0.604 20 0 GCADMM Cc1nnsc1C(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269679 945623827 /nfs/dbraw/zinc/62/38/27/945623827.db2.gz CATRJDVTYDXOCD-WCBMZHEXSA-N -1 1 386.445 0.604 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1csnn1 ZINC001571269655 945623876 /nfs/dbraw/zinc/62/38/76/945623876.db2.gz BQMZYBFBEVWXGL-NXEZZACHSA-N -1 1 386.445 0.909 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1csnn1 ZINC001571269655 945623879 /nfs/dbraw/zinc/62/38/79/945623879.db2.gz BQMZYBFBEVWXGL-NXEZZACHSA-N -1 1 386.445 0.909 20 0 GCADMM O=C(c1csnn1)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571269821 945625175 /nfs/dbraw/zinc/62/51/75/945625175.db2.gz DKCUYURXQPPKPW-SNVBAGLBSA-N -1 1 386.445 0.427 20 0 GCADMM Cc1cscc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571269908 945626815 /nfs/dbraw/zinc/62/68/15/945626815.db2.gz HQERVNAAOBGXQP-DGCLKSJQSA-N -1 1 386.441 0.396 20 0 GCADMM Cc1cscc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571269908 945626820 /nfs/dbraw/zinc/62/68/20/945626820.db2.gz HQERVNAAOBGXQP-DGCLKSJQSA-N -1 1 386.441 0.396 20 0 GCADMM COCc1sccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571269882 945627886 /nfs/dbraw/zinc/62/78/86/945627886.db2.gz GIBWVYLFJRROPE-SNVBAGLBSA-N -1 1 386.441 0.613 20 0 GCADMM CN(CC1CCN(C(=O)c2csnn2)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571270009 945629403 /nfs/dbraw/zinc/62/94/03/945629403.db2.gz KGPFYQGHMYHDSI-UHFFFAOYSA-N -1 1 386.445 0.497 20 0 GCADMM CN(CC1CCN(C(=O)c2csnn2)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571270009 945629408 /nfs/dbraw/zinc/62/94/08/945629408.db2.gz KGPFYQGHMYHDSI-UHFFFAOYSA-N -1 1 386.445 0.497 20 0 GCADMM Cc1nnsc1C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270032 945629897 /nfs/dbraw/zinc/62/98/97/945629897.db2.gz LBGRRURXELBYRW-OAHLLOKOSA-N -1 1 386.445 0.203 20 0 GCADMM C[C@@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270244 945633051 /nfs/dbraw/zinc/63/30/51/945633051.db2.gz OCBZNELZRNBMAL-NXEZZACHSA-N -1 1 386.445 0.140 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)c1-c1nn[n-]n1 ZINC001571270234 945633419 /nfs/dbraw/zinc/63/34/19/945633419.db2.gz NZNLLRAIOMTSBL-SNVBAGLBSA-N -1 1 386.441 0.657 20 0 GCADMM O=C(COc1ccsc1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270350 945634872 /nfs/dbraw/zinc/63/48/72/945634872.db2.gz QWYZYPSBMBSWFV-NSHDSACASA-N -1 1 386.441 0.622 20 0 GCADMM CCc1nnsc1C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571270376 945634932 /nfs/dbraw/zinc/63/49/32/945634932.db2.gz RTFNRLJTJLUCNH-UHFFFAOYSA-N -1 1 386.445 0.209 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC001571270322 945635642 /nfs/dbraw/zinc/63/56/42/945635642.db2.gz QEGYIKDSGZUCRQ-UWVGGRQHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC001571270322 945635646 /nfs/dbraw/zinc/63/56/46/945635646.db2.gz QEGYIKDSGZUCRQ-UWVGGRQHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571270608 945638312 /nfs/dbraw/zinc/63/83/12/945638312.db2.gz WMZUSKIZGDVNPA-VIFPVBQESA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571270608 945638315 /nfs/dbraw/zinc/63/83/15/945638315.db2.gz WMZUSKIZGDVNPA-VIFPVBQESA-N -1 1 386.445 0.861 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)Cn3ccccc3=O)C2)c1-c1nn[n-]n1 ZINC001571270603 945638456 /nfs/dbraw/zinc/63/84/56/945638456.db2.gz WKXCQRCAEGLGDC-LLVKDONJSA-N -1 1 386.441 0.188 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571270615 945638838 /nfs/dbraw/zinc/63/88/38/945638838.db2.gz WUNAEVSYMTXYTC-JTQLQIEISA-N -1 1 386.445 0.781 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571270615 945638841 /nfs/dbraw/zinc/63/88/41/945638841.db2.gz WUNAEVSYMTXYTC-JTQLQIEISA-N -1 1 386.445 0.781 20 0 GCADMM CCc1nnsc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571270592 945639027 /nfs/dbraw/zinc/63/90/27/945639027.db2.gz WEZZFANYXXOGAF-BDAKNGLRSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571270592 945639031 /nfs/dbraw/zinc/63/90/31/945639031.db2.gz WEZZFANYXXOGAF-BDAKNGLRSA-N -1 1 386.445 0.786 20 0 GCADMM Cc1nnsc1C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270703 945640382 /nfs/dbraw/zinc/64/03/82/945640382.db2.gz ZECUBQCDQNTDIM-SNVBAGLBSA-N -1 1 386.445 0.463 20 0 GCADMM Cc1nnsc1C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270703 945640388 /nfs/dbraw/zinc/64/03/88/945640388.db2.gz ZECUBQCDQNTDIM-SNVBAGLBSA-N -1 1 386.445 0.463 20 0 GCADMM O=C(c1ccsc1)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270708 945641011 /nfs/dbraw/zinc/64/10/11/945641011.db2.gz ZOOGUFUKAUECBG-INIZCTEOSA-N -1 1 386.441 0.797 20 0 GCADMM O=C(c1ccsc1)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270708 945641015 /nfs/dbraw/zinc/64/10/15/945641015.db2.gz ZOOGUFUKAUECBG-INIZCTEOSA-N -1 1 386.441 0.797 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)C1(C)CCOCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571272168 945655404 /nfs/dbraw/zinc/65/54/04/945655404.db2.gz ABEDBIIWXWVVIK-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)n1 ZINC001571272240 945657932 /nfs/dbraw/zinc/65/79/32/945657932.db2.gz BQTJSPOSOXGWKV-MCIONIFRSA-N -1 1 386.460 0.601 20 0 GCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)n1 ZINC001571272240 945657943 /nfs/dbraw/zinc/65/79/43/945657943.db2.gz BQTJSPOSOXGWKV-MCIONIFRSA-N -1 1 386.460 0.601 20 0 GCADMM COC1CC(C(=O)N2CCC[C@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571272201 945659013 /nfs/dbraw/zinc/65/90/13/945659013.db2.gz AVLDFZGZAQACQE-IYXRBSQSSA-N -1 1 386.460 0.757 20 0 GCADMM COC1CC(C(=O)N2CCC[C@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571272201 945659018 /nfs/dbraw/zinc/65/90/18/945659018.db2.gz AVLDFZGZAQACQE-IYXRBSQSSA-N -1 1 386.460 0.757 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC(O)CC1 ZINC001571272404 945661226 /nfs/dbraw/zinc/66/12/26/945661226.db2.gz CYKHHKLZCCTZRW-ROKHWSDSSA-N -1 1 386.460 0.683 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC(O)CC1 ZINC001571272404 945661230 /nfs/dbraw/zinc/66/12/30/945661230.db2.gz CYKHHKLZCCTZRW-ROKHWSDSSA-N -1 1 386.460 0.683 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001571272436 945661548 /nfs/dbraw/zinc/66/15/48/945661548.db2.gz DRJDDLKQKVMUFW-MLGOLLRUSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001571272436 945661551 /nfs/dbraw/zinc/66/15/51/945661551.db2.gz DRJDDLKQKVMUFW-MLGOLLRUSA-N -1 1 386.460 0.757 20 0 GCADMM COC1CCC(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571272442 945664431 /nfs/dbraw/zinc/66/44/31/945664431.db2.gz DVHPPYYLHZYBBF-IYXRBSQSSA-N -1 1 386.460 0.804 20 0 GCADMM COC1CCC(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571272442 945664434 /nfs/dbraw/zinc/66/44/34/945664434.db2.gz DVHPPYYLHZYBBF-IYXRBSQSSA-N -1 1 386.460 0.804 20 0 GCADMM CN(C[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571272580 945665405 /nfs/dbraw/zinc/66/54/05/945665405.db2.gz FLDVBXYINUZJIN-UONOGXRCSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571272580 945665409 /nfs/dbraw/zinc/66/54/09/945665409.db2.gz FLDVBXYINUZJIN-UONOGXRCSA-N -1 1 386.460 0.758 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)CC2(O)CCC2)n1 ZINC001571272695 945669336 /nfs/dbraw/zinc/66/93/36/945669336.db2.gz HQZLAYNXKFIUMV-CYBMUJFWSA-N -1 1 386.460 0.697 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)CC2(O)CCC2)n1 ZINC001571272695 945669338 /nfs/dbraw/zinc/66/93/38/945669338.db2.gz HQZLAYNXKFIUMV-CYBMUJFWSA-N -1 1 386.460 0.697 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571272702 945669544 /nfs/dbraw/zinc/66/95/44/945669544.db2.gz HSYPOFMOVYOITA-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571272702 945669549 /nfs/dbraw/zinc/66/95/49/945669549.db2.gz HSYPOFMOVYOITA-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](NC(=O)[C@H]1CCCOC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571272718 945669719 /nfs/dbraw/zinc/66/97/19/945669719.db2.gz IEKDQCBRLNJSSW-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)[C@H]1CCCOC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571272718 945669727 /nfs/dbraw/zinc/66/97/27/945669727.db2.gz IEKDQCBRLNJSSW-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM O=C(C1CCCCC1)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571272934 945675429 /nfs/dbraw/zinc/67/54/29/945675429.db2.gz LATWJOXXQXVVFV-UHFFFAOYSA-N -1 1 386.460 0.424 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272947 945676019 /nfs/dbraw/zinc/67/60/19/945676019.db2.gz LNVXEAXNQAGRPX-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272947 945676024 /nfs/dbraw/zinc/67/60/24/945676024.db2.gz LNVXEAXNQAGRPX-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)C[C@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272921 945676073 /nfs/dbraw/zinc/67/60/73/945676073.db2.gz KYTGFMHXSBCNHG-OLZOCXBDSA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)C[C@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272921 945676078 /nfs/dbraw/zinc/67/60/78/945676078.db2.gz KYTGFMHXSBCNHG-OLZOCXBDSA-N -1 1 386.460 0.906 20 0 GCADMM CO[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571273003 945676968 /nfs/dbraw/zinc/67/69/68/945676968.db2.gz MUUUWOIBHHVKIX-AAVRWANBSA-N -1 1 386.460 0.591 20 0 GCADMM CN(CC1CCN(C(=O)[C@H]2CCCOC2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571273050 945677406 /nfs/dbraw/zinc/67/74/06/945677406.db2.gz NXUBSISDMNMJKZ-AWEZNQCLSA-N -1 1 386.460 0.758 20 0 GCADMM CN(CC1CCN(C(=O)[C@H]2CCCOC2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571273050 945677414 /nfs/dbraw/zinc/67/74/14/945677414.db2.gz NXUBSISDMNMJKZ-AWEZNQCLSA-N -1 1 386.460 0.758 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)C[C@@H]3CCCOC3)C2)n1 ZINC001571273024 945678281 /nfs/dbraw/zinc/67/82/81/945678281.db2.gz NHWKWDWSWKNECU-KBPBESRZSA-N -1 1 386.460 0.867 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)C[C@@H]3CCCOC3)C2)n1 ZINC001571273024 945678286 /nfs/dbraw/zinc/67/82/86/945678286.db2.gz NHWKWDWSWKNECU-KBPBESRZSA-N -1 1 386.460 0.867 20 0 GCADMM COC1CCC(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571273133 945679099 /nfs/dbraw/zinc/67/90/99/945679099.db2.gz PXUWVNSATOXYMD-KJBLDROHSA-N -1 1 386.460 0.947 20 0 GCADMM COC1CCC(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571273133 945679103 /nfs/dbraw/zinc/67/91/03/945679103.db2.gz PXUWVNSATOXYMD-KJBLDROHSA-N -1 1 386.460 0.947 20 0 GCADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC(O)CC1 ZINC001571273092 945679679 /nfs/dbraw/zinc/67/96/79/945679679.db2.gz OYBUXYGLRDMGCU-IYXRBSQSSA-N -1 1 386.460 0.540 20 0 GCADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC(O)CC1 ZINC001571273092 945679690 /nfs/dbraw/zinc/67/96/90/945679690.db2.gz OYBUXYGLRDMGCU-IYXRBSQSSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)n1 ZINC001571273147 945680130 /nfs/dbraw/zinc/68/01/30/945680130.db2.gz QMNLSDOMMCETTI-DZGCQCFKSA-N -1 1 386.460 0.819 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)n1 ZINC001571273147 945680135 /nfs/dbraw/zinc/68/01/35/945680135.db2.gz QMNLSDOMMCETTI-DZGCQCFKSA-N -1 1 386.460 0.819 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571273201 945681395 /nfs/dbraw/zinc/68/13/95/945681395.db2.gz SLYVZXBUXKSGRC-SCLBCKFNSA-N -1 1 386.460 0.758 20 0 GCADMM CO[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001571273453 945688093 /nfs/dbraw/zinc/68/80/93/945688093.db2.gz XRVMCQGNPGXVQG-VXGBXAGGSA-N -1 1 386.460 0.659 20 0 GCADMM CO[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC001571273453 945688101 /nfs/dbraw/zinc/68/81/01/945688101.db2.gz XRVMCQGNPGXVQG-VXGBXAGGSA-N -1 1 386.460 0.659 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@H]2C)n1 ZINC001571273406 945689061 /nfs/dbraw/zinc/68/90/61/945689061.db2.gz XAWIVOJVTUBUGA-DGCLKSJQSA-N -1 1 386.460 0.919 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@H]2C)n1 ZINC001571273406 945689066 /nfs/dbraw/zinc/68/90/66/945689066.db2.gz XAWIVOJVTUBUGA-DGCLKSJQSA-N -1 1 386.460 0.919 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)C ZINC001571273488 945690410 /nfs/dbraw/zinc/69/04/10/945690410.db2.gz YGYKHEPSSPRJEI-NFAWXSAZSA-N -1 1 386.460 0.897 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)C ZINC001571273488 945690413 /nfs/dbraw/zinc/69/04/13/945690413.db2.gz YGYKHEPSSPRJEI-NFAWXSAZSA-N -1 1 386.460 0.897 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(C(F)F)nc1 ZINC001571274833 945701226 /nfs/dbraw/zinc/70/12/26/945701226.db2.gz LSJIJJVIYXTYGQ-SNVBAGLBSA-N -1 1 387.354 0.998 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ncc(F)cc1F ZINC001571275383 945704592 /nfs/dbraw/zinc/70/45/92/945704592.db2.gz SUBGSMMCVPCFCO-CZMCAQCFSA-N -1 1 387.354 0.950 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ncc(F)cc1F ZINC001571275383 945704596 /nfs/dbraw/zinc/70/45/96/945704596.db2.gz SUBGSMMCVPCFCO-CZMCAQCFSA-N -1 1 387.354 0.950 20 0 GCADMM CC1(C)CO[C@@H](CCC(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571275753 945713361 /nfs/dbraw/zinc/71/33/61/945713361.db2.gz BUTURHOKILMUHH-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CC1(C)CO[C@@H](CCC(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571275753 945713367 /nfs/dbraw/zinc/71/33/67/945713367.db2.gz BUTURHOKILMUHH-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571275757 945713621 /nfs/dbraw/zinc/71/36/21/945713621.db2.gz BXHRHHRKSUBENZ-OLZOCXBDSA-N -1 1 386.460 0.402 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC001571275710 945713766 /nfs/dbraw/zinc/71/37/66/945713766.db2.gz BEFZPONSJMLLBH-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC001571275710 945713769 /nfs/dbraw/zinc/71/37/69/945713769.db2.gz BEFZPONSJMLLBH-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001571275729 945713934 /nfs/dbraw/zinc/71/39/34/945713934.db2.gz BNEPFNGUSSRVDJ-GXTWGEPZSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)COC1CCCCC1 ZINC001571275723 945714143 /nfs/dbraw/zinc/71/41/43/945714143.db2.gz BJBQWKYOQPZEJZ-OLZOCXBDSA-N -1 1 386.460 0.829 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCCO1 ZINC001571275846 945715878 /nfs/dbraw/zinc/71/58/78/945715878.db2.gz DDSGRKSGYDWECJ-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCCO1 ZINC001571275846 945715888 /nfs/dbraw/zinc/71/58/88/945715888.db2.gz DDSGRKSGYDWECJ-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1COCC[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571275812 945716219 /nfs/dbraw/zinc/71/62/19/945716219.db2.gz CYBBAMHGLKYRDX-OCCSQVGLSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@](O)(CC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001571275858 945719188 /nfs/dbraw/zinc/71/91/88/945719188.db2.gz DJDOHDAESGMTMH-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@](O)(CC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001571275858 945719194 /nfs/dbraw/zinc/71/91/94/945719194.db2.gz DJDOHDAESGMTMH-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571275937 945720668 /nfs/dbraw/zinc/72/06/68/945720668.db2.gz FYRQBFCFMHYBDS-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@H](C)n1nc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1C ZINC001571276198 945726819 /nfs/dbraw/zinc/72/68/19/945726819.db2.gz FHMXAGLQIQUMMG-VIFPVBQESA-N -1 1 387.404 0.035 20 0 GCADMM COC(=O)C1CCC(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001571276581 945731631 /nfs/dbraw/zinc/73/16/31/945731631.db2.gz IWZMHSRETYUJOW-UHFFFAOYSA-N -1 1 386.459 0.474 20 0 GCADMM COC(=O)C1CCC(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001571276581 945731636 /nfs/dbraw/zinc/73/16/36/945731636.db2.gz IWZMHSRETYUJOW-UHFFFAOYSA-N -1 1 386.459 0.474 20 0 GCADMM CCOC1CC(CC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571276565 945732018 /nfs/dbraw/zinc/73/20/18/945732018.db2.gz IQNWLVMUPGGXBC-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CCOC1CC(CC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571276565 945732023 /nfs/dbraw/zinc/73/20/23/945732023.db2.gz IQNWLVMUPGGXBC-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CCC1(C(=O)N2CCC[C@@H](N(CCO)c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571277574 945742099 /nfs/dbraw/zinc/74/20/99/945742099.db2.gz LUICKIGRNZBSBQ-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001571277515 945743600 /nfs/dbraw/zinc/74/36/00/945743600.db2.gz LFDBXCXCNRRLMQ-FZKQIMNGSA-N -1 1 386.460 0.546 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)C1 ZINC001571277624 945745334 /nfs/dbraw/zinc/74/53/34/945745334.db2.gz MPFVNCPUNSFEFJ-FIYWTHMPSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)C1 ZINC001571277624 945745340 /nfs/dbraw/zinc/74/53/40/945745340.db2.gz MPFVNCPUNSFEFJ-FIYWTHMPSA-N -1 1 386.460 0.395 20 0 GCADMM CCOC1CC(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571277646 945745410 /nfs/dbraw/zinc/74/54/10/945745410.db2.gz MTVCZKHKSUAYSH-IYXRBSQSSA-N -1 1 386.460 0.804 20 0 GCADMM CCOC1CC(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571277646 945745415 /nfs/dbraw/zinc/74/54/15/945745415.db2.gz MTVCZKHKSUAYSH-IYXRBSQSSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)[C@H]1CCCOC1 ZINC001571278532 945755646 /nfs/dbraw/zinc/75/56/46/945755646.db2.gz PBLOUMLSHTVYJZ-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)[C@H]1CCCOC1 ZINC001571278532 945755650 /nfs/dbraw/zinc/75/56/50/945755650.db2.gz PBLOUMLSHTVYJZ-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CNC(=O)[C@@H](C)CN(C)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821629943 945757618 /nfs/dbraw/zinc/75/76/18/945757618.db2.gz HBWPQTWKFHNTPN-JTQLQIEISA-N -1 1 399.459 0.299 20 0 GCADMM CNC(=O)[C@@H](C)CN(C)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821629943 945757622 /nfs/dbraw/zinc/75/76/22/945757622.db2.gz HBWPQTWKFHNTPN-JTQLQIEISA-N -1 1 399.459 0.299 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1csc(=O)[nH]1 ZINC001571278778 945760497 /nfs/dbraw/zinc/76/04/97/945760497.db2.gz BZMMVLCAIHCNEY-IUCAKERBSA-N -1 1 387.429 0.829 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1csc(=O)[nH]1 ZINC001571278778 945760508 /nfs/dbraw/zinc/76/05/08/945760508.db2.gz BZMMVLCAIHCNEY-IUCAKERBSA-N -1 1 387.429 0.829 20 0 GCADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1csc(=O)[nH]1 ZINC001571278779 945760721 /nfs/dbraw/zinc/76/07/21/945760721.db2.gz BZMMVLCAIHCNEY-RKDXNWHRSA-N -1 1 387.429 0.829 20 0 GCADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1csc(=O)[nH]1 ZINC001571278779 945760730 /nfs/dbraw/zinc/76/07/30/945760730.db2.gz BZMMVLCAIHCNEY-RKDXNWHRSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@](O)(CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001571279001 945767206 /nfs/dbraw/zinc/76/72/06/945767206.db2.gz ULLFQSONTMGYHM-ACJLOTCBSA-N -1 1 386.460 0.423 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CCCCC1 ZINC001571278975 945767744 /nfs/dbraw/zinc/76/77/44/945767744.db2.gz TXNUFZYHDHCUJQ-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM COc1cc(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)sn1 ZINC001571279135 945770931 /nfs/dbraw/zinc/77/09/31/945770931.db2.gz JJFQXVPKONVTON-UHFFFAOYSA-N -1 1 387.429 0.164 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)sn1 ZINC001571279193 945771546 /nfs/dbraw/zinc/77/15/46/945771546.db2.gz KUSKSZULWJYPTD-RKDXNWHRSA-N -1 1 387.429 0.377 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)c2ccsn2)CCO1 ZINC001571279237 945773423 /nfs/dbraw/zinc/77/34/23/945773423.db2.gz LUWHQHUCNHZNKD-JOYOIKCWSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)c2ccsn2)CCO1 ZINC001571279237 945773425 /nfs/dbraw/zinc/77/34/25/945773425.db2.gz LUWHQHUCNHZNKD-JOYOIKCWSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571279344 945775043 /nfs/dbraw/zinc/77/50/43/945775043.db2.gz VHZQVPGYXVCIHE-OCCSQVGLSA-N -1 1 386.460 0.544 20 0 GCADMM CC1(C)CC[C@@H](CC(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)OC1 ZINC001571279332 945776165 /nfs/dbraw/zinc/77/61/65/945776165.db2.gz VBCNVCUFLLBWTE-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@@H](CC(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)OC1 ZINC001571279332 945776173 /nfs/dbraw/zinc/77/61/73/945776173.db2.gz VBCNVCUFLLBWTE-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM COCc1nc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001571279427 945777390 /nfs/dbraw/zinc/77/73/90/945777390.db2.gz OMBDNAIXYQUCIQ-SECBINFHSA-N -1 1 387.429 0.268 20 0 GCADMM COCc1nc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001571279427 945777392 /nfs/dbraw/zinc/77/73/92/945777392.db2.gz OMBDNAIXYQUCIQ-SECBINFHSA-N -1 1 387.429 0.268 20 0 GCADMM O=C(c1csc(=O)[nH]1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571279416 945777424 /nfs/dbraw/zinc/77/74/24/945777424.db2.gz ODPLDMYYSKGBBH-VIFPVBQESA-N -1 1 387.429 0.348 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)c3csc(=O)[nH]3)C2)n1 ZINC001571279570 945782866 /nfs/dbraw/zinc/78/28/66/945782866.db2.gz SGUSLHWWOVVRQS-VIFPVBQESA-N -1 1 387.429 0.384 20 0 GCADMM COC(=O)CCCN(Cc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821660403 945783547 /nfs/dbraw/zinc/78/35/47/945783547.db2.gz PTRWRXWOULTOOC-UHFFFAOYSA-N -1 1 384.400 0.440 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)[C@H]1CCCOCC1 ZINC001571279674 945784931 /nfs/dbraw/zinc/78/49/31/945784931.db2.gz XVGHGGGTQHTRCN-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@H]1CCCOCC1 ZINC001571279674 945784940 /nfs/dbraw/zinc/78/49/40/945784940.db2.gz XVGHGGGTQHTRCN-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N(C)Cc2nnc3n2CCC3)cc1-c1nn[n-]n1 ZINC001571279742 945785851 /nfs/dbraw/zinc/78/58/51/945785851.db2.gz UOPPERSDVCXIOK-UHFFFAOYSA-N -1 1 387.429 0.499 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)sn1 ZINC001571279829 945787956 /nfs/dbraw/zinc/78/79/56/945787956.db2.gz XIOZJPFTGYGZJE-SECBINFHSA-N -1 1 387.429 0.521 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)sn1 ZINC001571279829 945787963 /nfs/dbraw/zinc/78/79/63/945787963.db2.gz XIOZJPFTGYGZJE-SECBINFHSA-N -1 1 387.429 0.521 20 0 GCADMM Cc1nsc(N[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571279925 945790158 /nfs/dbraw/zinc/79/01/58/945790158.db2.gz ZSHSPLORABABDL-GMSGAONNSA-N -1 1 387.429 0.700 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571279969 945792323 /nfs/dbraw/zinc/79/23/23/945792323.db2.gz YNNPZAFBJWMKMJ-IGQOVBAYSA-N -1 1 386.460 0.589 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573447433 945798971 /nfs/dbraw/zinc/79/89/71/945798971.db2.gz YPDZYMZNEDBGGQ-WXRRBKDZSA-N -1 1 385.432 0.069 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573447433 945798976 /nfs/dbraw/zinc/79/89/76/945798976.db2.gz YPDZYMZNEDBGGQ-WXRRBKDZSA-N -1 1 385.432 0.069 20 0 GCADMM CCn1cc(CC(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571281571 945806464 /nfs/dbraw/zinc/80/64/64/945806464.db2.gz IVJDVCSFCVCOGE-GFCCVEGCSA-N -1 1 387.473 0.786 20 0 GCADMM COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000821688234 945814047 /nfs/dbraw/zinc/81/40/47/945814047.db2.gz DATOVAPWZZGIBS-GOSISDBHSA-N -1 1 391.476 0.717 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573449241 945817747 /nfs/dbraw/zinc/81/77/47/945817747.db2.gz VEAPRFHCTMVMDM-LLVKDONJSA-N -1 1 390.473 0.703 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573452058 945843714 /nfs/dbraw/zinc/84/37/14/945843714.db2.gz AEWIGQSRWOYNCD-QFYYESIMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573452058 945843728 /nfs/dbraw/zinc/84/37/28/945843728.db2.gz AEWIGQSRWOYNCD-QFYYESIMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573452203 945845245 /nfs/dbraw/zinc/84/52/45/945845245.db2.gz BUSOZCODFTYDAL-ZUZCIYMTSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573452203 945845263 /nfs/dbraw/zinc/84/52/63/945845263.db2.gz BUSOZCODFTYDAL-ZUZCIYMTSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573452198 945846875 /nfs/dbraw/zinc/84/68/75/945846875.db2.gz BUSOZCODFTYDAL-BMIGLBTASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573452198 945846886 /nfs/dbraw/zinc/84/68/86/945846886.db2.gz BUSOZCODFTYDAL-BMIGLBTASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)C(C)C ZINC001573452466 945848802 /nfs/dbraw/zinc/84/88/02/945848802.db2.gz FUVGAPIGKSWSSN-QGZVFWFLSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)C(C)C ZINC001573452466 945848816 /nfs/dbraw/zinc/84/88/16/945848816.db2.gz FUVGAPIGKSWSSN-QGZVFWFLSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573453185 945855284 /nfs/dbraw/zinc/85/52/84/945855284.db2.gz JDWZNLSWGQYIKP-MEBBXXQBSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573453185 945855303 /nfs/dbraw/zinc/85/53/03/945855303.db2.gz JDWZNLSWGQYIKP-MEBBXXQBSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453810 945865807 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CC(=O)N[C@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573480686 946177703 /nfs/dbraw/zinc/17/77/03/946177703.db2.gz LXIHLCSVPYUTDX-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001571296020 946181322 /nfs/dbraw/zinc/18/13/22/946181322.db2.gz MEAIHSUKLLXQEY-DIFFPNOSSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001571296020 946181327 /nfs/dbraw/zinc/18/13/27/946181327.db2.gz MEAIHSUKLLXQEY-DIFFPNOSSA-N -1 1 390.423 0.824 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C1(F)CCCCC1 ZINC001571296043 946182245 /nfs/dbraw/zinc/18/22/45/946182245.db2.gz MLEKDDCVAUMIEC-RYUDHWBXSA-N -1 1 390.423 0.385 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C1(F)CCCCC1 ZINC001571296043 946182251 /nfs/dbraw/zinc/18/22/51/946182251.db2.gz MLEKDDCVAUMIEC-RYUDHWBXSA-N -1 1 390.423 0.385 20 0 GCADMM CC[C@@H]1C[C@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 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/nfs/dbraw/zinc/18/47/34/946184734.db2.gz MQZDCWXCYVTKLO-SJCJKPOMSA-N -1 1 390.423 0.460 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571296220 946188743 /nfs/dbraw/zinc/18/87/43/946188743.db2.gz QZJHPERHDNIHJI-VXGBXAGGSA-N -1 1 390.423 0.246 20 0 GCADMM O=C(N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCCCC1 ZINC001571296236 946189400 /nfs/dbraw/zinc/18/94/00/946189400.db2.gz RLXYMMQUEYTTGY-LBPRGKRZSA-N -1 1 390.423 0.968 20 0 GCADMM O=C(N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCCCC1 ZINC001571296236 946189412 /nfs/dbraw/zinc/18/94/12/946189412.db2.gz RLXYMMQUEYTTGY-LBPRGKRZSA-N -1 1 390.423 0.968 20 0 GCADMM Cc1nsc(N2CCO[C@H](CNC(=O)c3ncoc3C)C2)c1-c1nn[n-]n1 ZINC001571296256 946190042 /nfs/dbraw/zinc/19/00/42/946190042.db2.gz RXCTZXOZNHCAQA-SNVBAGLBSA-N -1 1 390.429 0.563 20 0 GCADMM O=C([C@H]1COc2ccccc21)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571296313 946192880 /nfs/dbraw/zinc/19/28/80/946192880.db2.gz URCLLLWEMRQNIQ-OBJOEFQTSA-N -1 1 390.407 0.622 20 0 GCADMM O=C([C@H]1COc2ccccc21)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571296313 946192881 /nfs/dbraw/zinc/19/28/81/946192881.db2.gz URCLLLWEMRQNIQ-OBJOEFQTSA-N -1 1 390.407 0.622 20 0 GCADMM CN(CC1CCN(C(=O)[C@]2(F)CCOC2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571296411 946193757 /nfs/dbraw/zinc/19/37/57/946193757.db2.gz XEUGULBZPPWARL-KRWDZBQOSA-N -1 1 390.423 0.460 20 0 GCADMM CN(CC1CCN(C(=O)[C@]2(F)CCOC2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571296411 946193763 /nfs/dbraw/zinc/19/37/63/946193763.db2.gz XEUGULBZPPWARL-KRWDZBQOSA-N -1 1 390.423 0.460 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571296419 946194426 /nfs/dbraw/zinc/19/44/26/946194426.db2.gz XIISXMJWLBWUAW-VXGBXAGGSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571296419 946194432 /nfs/dbraw/zinc/19/44/32/946194432.db2.gz XIISXMJWLBWUAW-VXGBXAGGSA-N -1 1 390.423 0.649 20 0 GCADMM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1ccc(F)s1 ZINC001571296424 946195214 /nfs/dbraw/zinc/19/52/14/946195214.db2.gz XLWHIXWGHDSRSO-VIFPVBQESA-N -1 1 390.404 0.493 20 0 GCADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1ccc(F)s1 ZINC001571296424 946195221 /nfs/dbraw/zinc/19/52/21/946195221.db2.gz XLWHIXWGHDSRSO-VIFPVBQESA-N -1 1 390.404 0.493 20 0 GCADMM COCc1csc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1 ZINC001571296386 946195277 /nfs/dbraw/zinc/19/52/77/946195277.db2.gz WNQLKXBVGOTUEU-UHFFFAOYSA-N -1 1 390.429 0.887 20 0 GCADMM COCc1csc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1 ZINC001571296386 946195282 /nfs/dbraw/zinc/19/52/82/946195282.db2.gz WNQLKXBVGOTUEU-UHFFFAOYSA-N -1 1 390.429 0.887 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573482584 946198735 /nfs/dbraw/zinc/19/87/35/946198735.db2.gz YJBRULVTSWTFDP-MWLCHTKSSA-N -1 1 380.478 0.709 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573482582 946199209 /nfs/dbraw/zinc/19/92/09/946199209.db2.gz YJBRULVTSWTFDP-GXSJLCMTSA-N -1 1 380.478 0.709 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573483380 946209320 /nfs/dbraw/zinc/20/93/20/946209320.db2.gz FLDMTTJCAPAIAC-JTQLQIEISA-N -1 1 392.489 0.855 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573483367 946209592 /nfs/dbraw/zinc/20/95/92/946209592.db2.gz FCFASVKXLFBCRR-ZYHUDNBSSA-N -1 1 392.489 0.489 20 0 GCADMM Cc1nsc(NC2CC(CNC(=O)[C@@H]3CCC(=O)N3C)C2)c1-c1nn[n-]n1 ZINC001571298795 946229934 /nfs/dbraw/zinc/22/99/34/946229934.db2.gz RDDGOOYTYUQFDI-ILDUYXDCSA-N -1 1 390.473 0.559 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001571298886 946232165 /nfs/dbraw/zinc/23/21/65/946232165.db2.gz LKTAXLQYSVRVMC-SUMWQHHRSA-N -1 1 390.448 0.093 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001571298886 946232175 /nfs/dbraw/zinc/23/21/75/946232175.db2.gz LKTAXLQYSVRVMC-SUMWQHHRSA-N -1 1 390.448 0.093 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573486350 946238391 /nfs/dbraw/zinc/23/83/91/946238391.db2.gz DDNGJHQWUXWQTM-AWEZNQCLSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573486350 946238401 /nfs/dbraw/zinc/23/84/01/946238401.db2.gz DDNGJHQWUXWQTM-AWEZNQCLSA-N -1 1 389.464 0.150 20 0 GCADMM Cc1nsc(NC[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571299444 946250764 /nfs/dbraw/zinc/25/07/64/946250764.db2.gz WIPXOJXRIUJBBD-MNOVXSKESA-N -1 1 390.473 0.561 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573487685 946255517 /nfs/dbraw/zinc/25/55/17/946255517.db2.gz RLCBICQCHVXZRY-YUSALJHKSA-N -1 1 392.489 0.996 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573487663 946256339 /nfs/dbraw/zinc/25/63/39/946256339.db2.gz QXLSWSMBRANTIB-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573487663 946256348 /nfs/dbraw/zinc/25/63/48/946256348.db2.gz QXLSWSMBRANTIB-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573487818 946258731 /nfs/dbraw/zinc/25/87/31/946258731.db2.gz UFGOGDXCWIKFHU-APQOSEDMSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573487818 946258740 /nfs/dbraw/zinc/25/87/40/946258740.db2.gz UFGOGDXCWIKFHU-APQOSEDMSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573487867 946258983 /nfs/dbraw/zinc/25/89/83/946258983.db2.gz UZQDYVUEEHROAC-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573487867 946258991 /nfs/dbraw/zinc/25/89/91/946258991.db2.gz UZQDYVUEEHROAC-YPMHNXCESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573487950 946261216 /nfs/dbraw/zinc/26/12/16/946261216.db2.gz VQQZJWGPWTVKAH-CYBMUJFWSA-N -1 1 389.464 0.468 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573487950 946261220 /nfs/dbraw/zinc/26/12/20/946261220.db2.gz VQQZJWGPWTVKAH-CYBMUJFWSA-N -1 1 389.464 0.468 20 0 GCADMM CC(=O)NC1(C(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573488509 946267351 /nfs/dbraw/zinc/26/73/51/946267351.db2.gz ARYJGYGKJWDPMY-UHFFFAOYSA-N -1 1 387.448 0.048 20 0 GCADMM CC(=O)NC1(C(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573488509 946267363 /nfs/dbraw/zinc/26/73/63/946267363.db2.gz ARYJGYGKJWDPMY-UHFFFAOYSA-N -1 1 387.448 0.048 20 0 GCADMM CC(=O)NC1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)CCCC1 ZINC001573488560 946269529 /nfs/dbraw/zinc/26/95/29/946269529.db2.gz CZSWWSAYFIKTJO-UHFFFAOYSA-N -1 1 385.432 0.166 20 0 GCADMM CC(=O)NC1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)CCCC1 ZINC001573488560 946269540 /nfs/dbraw/zinc/26/95/40/946269540.db2.gz CZSWWSAYFIKTJO-UHFFFAOYSA-N -1 1 385.432 0.166 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488699 946271727 /nfs/dbraw/zinc/27/17/27/946271727.db2.gz JGQBRYZYYLLDQN-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488699 946271737 /nfs/dbraw/zinc/27/17/37/946271737.db2.gz JGQBRYZYYLLDQN-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488987 946282947 /nfs/dbraw/zinc/28/29/47/946282947.db2.gz SLRCWUXSFAGESR-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488987 946282959 /nfs/dbraw/zinc/28/29/59/946282959.db2.gz SLRCWUXSFAGESR-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ocnc1C(F)F ZINC001571301785 946283758 /nfs/dbraw/zinc/28/37/58/946283758.db2.gz DIZRSCJZPVFXCQ-QMMMGPOBSA-N -1 1 391.342 0.981 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ocnc1C(F)F ZINC001571301785 946283767 /nfs/dbraw/zinc/28/37/67/946283767.db2.gz DIZRSCJZPVFXCQ-QMMMGPOBSA-N -1 1 391.342 0.981 20 0 GCADMM C[C@]1(NC(=O)c2ocnc2C(F)F)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571302016 946289761 /nfs/dbraw/zinc/28/97/61/946289761.db2.gz LVVIIARACGUHBN-HNNXBMFYSA-N -1 1 391.342 0.981 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573491857 946290075 /nfs/dbraw/zinc/29/00/75/946290075.db2.gz AWPBNTLFGQLVJY-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573491857 946290086 /nfs/dbraw/zinc/29/00/86/946290086.db2.gz AWPBNTLFGQLVJY-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573494612 946306242 /nfs/dbraw/zinc/30/62/42/946306242.db2.gz NLBSXUJFYBZWPF-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573494612 946306254 /nfs/dbraw/zinc/30/62/54/946306254.db2.gz NLBSXUJFYBZWPF-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM O=C(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1(c2ccccn2)CC1 ZINC001571302576 946308110 /nfs/dbraw/zinc/30/81/10/946308110.db2.gz BVOLKAYRTFQSNZ-UHFFFAOYSA-N -1 1 391.439 0.869 20 0 GCADMM O=C(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1(c2ccccn2)CC1 ZINC001571302576 946308122 /nfs/dbraw/zinc/30/81/22/946308122.db2.gz BVOLKAYRTFQSNZ-UHFFFAOYSA-N -1 1 391.439 0.869 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1Cc2cccnc2C1 ZINC001571302860 946317542 /nfs/dbraw/zinc/31/75/42/946317542.db2.gz HVZWAPGOHHEDRF-UBHSHLNASA-N -1 1 391.439 0.773 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1Cc2cccnc2C1 ZINC001571302860 946317556 /nfs/dbraw/zinc/31/75/56/946317556.db2.gz HVZWAPGOHHEDRF-UBHSHLNASA-N -1 1 391.439 0.773 20 0 GCADMM Cc1ccncc1CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571303040 946323332 /nfs/dbraw/zinc/32/33/32/946323332.db2.gz JUNVMRKEEQGDLT-DZGCQCFKSA-N -1 1 391.439 0.640 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2CCc3cccnc32)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571303127 946325835 /nfs/dbraw/zinc/32/58/35/946325835.db2.gz HYAABPCAGQZHKB-YJYMSZOUSA-N -1 1 391.439 0.867 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2CCc3cccnc32)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571303127 946325846 /nfs/dbraw/zinc/32/58/46/946325846.db2.gz HYAABPCAGQZHKB-YJYMSZOUSA-N -1 1 391.439 0.867 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)cc(C)n1 ZINC001571303265 946331876 /nfs/dbraw/zinc/33/18/76/946331876.db2.gz MTTCXSWICWNTFX-QKDCVEJESA-N -1 1 391.439 0.781 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)cc(C)n1 ZINC001571303265 946331891 /nfs/dbraw/zinc/33/18/91/946331891.db2.gz MTTCXSWICWNTFX-QKDCVEJESA-N -1 1 391.439 0.781 20 0 GCADMM CC(=O)NCC(=O)N(C)[C@@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573496859 946334954 /nfs/dbraw/zinc/33/49/54/946334954.db2.gz FBHCDWLXLNAPJD-NSHDSACASA-N -1 1 378.462 0.417 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571303501 946338647 /nfs/dbraw/zinc/33/86/47/946338647.db2.gz MLPVEZGZAMIXJU-IAQYHMDHSA-N -1 1 391.439 0.924 20 0 GCADMM CCC(CC)[C@H]1C[C@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571303639 946341227 /nfs/dbraw/zinc/34/12/27/946341227.db2.gz OKJPZGKQKPFYIB-DGCLKSJQSA-N -1 1 391.432 0.229 20 0 GCADMM CC(=O)NCC(=O)N(C)C1CC(Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573497499 946350211 /nfs/dbraw/zinc/35/02/11/946350211.db2.gz RLTHFJONMXBINN-UHFFFAOYSA-N -1 1 384.853 0.514 20 0 GCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@@H](C)NC(=O)OC(C)(C)C)c(=O)n1C1CC1 ZINC001571304179 946361604 /nfs/dbraw/zinc/36/16/04/946361604.db2.gz ZPLDPXQLWPSRJI-SECBINFHSA-N -1 1 391.432 0.747 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573498946 946362938 /nfs/dbraw/zinc/36/29/38/946362938.db2.gz BKACUFBKSSPZNI-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1C ZINC001573498946 946362946 /nfs/dbraw/zinc/36/29/46/946362946.db2.gz BKACUFBKSSPZNI-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573499405 946366129 /nfs/dbraw/zinc/36/61/29/946366129.db2.gz CJDICVKYWVVWTP-HTRCEHHLSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573499405 946366139 /nfs/dbraw/zinc/36/61/39/946366139.db2.gz CJDICVKYWVVWTP-HTRCEHHLSA-N -1 1 384.853 0.372 20 0 GCADMM O=C(Cn1ccnc1)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571305521 946367705 /nfs/dbraw/zinc/36/77/05/946367705.db2.gz CYLHWDDAGNVYTM-IUCAKERBSA-N -1 1 391.848 0.663 20 0 GCADMM O=C(Cc1cc[nH]n1)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571305570 946368341 /nfs/dbraw/zinc/36/83/41/946368341.db2.gz FPETUBDREGFODJ-IUCAKERBSA-N -1 1 391.848 0.732 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573499829 946369352 /nfs/dbraw/zinc/36/93/52/946369352.db2.gz GJQQWOLPEOIVTD-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573499829 946369363 /nfs/dbraw/zinc/36/93/63/946369363.db2.gz GJQQWOLPEOIVTD-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573499831 946369723 /nfs/dbraw/zinc/36/97/23/946369723.db2.gz GJQQWOLPEOIVTD-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573499831 946369731 /nfs/dbraw/zinc/36/97/31/946369731.db2.gz GJQQWOLPEOIVTD-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573500449 946375767 /nfs/dbraw/zinc/37/57/67/946375767.db2.gz JTUCWJULLOEIDY-UHFFFAOYSA-N -1 1 386.869 0.397 20 0 GCADMM CC(=O)NCC(=O)N(C)CCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573500449 946375780 /nfs/dbraw/zinc/37/57/80/946375780.db2.gz JTUCWJULLOEIDY-UHFFFAOYSA-N -1 1 386.869 0.397 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305797 946376679 /nfs/dbraw/zinc/37/66/79/946376679.db2.gz CYVGHNFSHFESTF-GWOFURMSSA-N -1 1 391.457 0.747 20 0 GCADMM CC(=O)NCC(=O)N(C)CCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573501501 946380009 /nfs/dbraw/zinc/38/00/09/946380009.db2.gz PUCHXAUDGPMUIN-UHFFFAOYSA-N -1 1 386.869 0.397 20 0 GCADMM CC(=O)NCC(=O)N(C)CCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573501501 946380021 /nfs/dbraw/zinc/38/00/21/946380021.db2.gz PUCHXAUDGPMUIN-UHFFFAOYSA-N -1 1 386.869 0.397 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2[C@H]3CN(c4nc(-c5nn[n-]n5)c(Cl)s4)C[C@H]32)[nH]1 ZINC001571306175 946389885 /nfs/dbraw/zinc/38/98/85/946389885.db2.gz QITAIDLAXDBNOE-QMSLJYSESA-N -1 1 391.848 0.873 20 0 GCADMM O=C(c1cn[nH]c1)N1C[C@@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@H]2C1 ZINC001571306274 946394841 /nfs/dbraw/zinc/39/48/41/946394841.db2.gz RTGFOVIEDAZZBP-DTORHVGOSA-N -1 1 391.848 0.908 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503739 946398378 /nfs/dbraw/zinc/39/83/78/946398378.db2.gz BORKKDXFOLDUTB-CABZTGNLSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503740 946399764 /nfs/dbraw/zinc/39/97/64/946399764.db2.gz BORKKDXFOLDUTB-JOYOIKCWSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573504000 946403541 /nfs/dbraw/zinc/40/35/41/946403541.db2.gz DNSRNXOAEVYVPF-HNNXBMFYSA-N -1 1 378.462 0.418 20 0 GCADMM Cc1nsc(NC(=O)N2CCC(CN3CCNC3=O)CC2)c1-c1nnn[n-]1 ZINC001571306814 946411952 /nfs/dbraw/zinc/41/19/52/946411952.db2.gz QSHYFTHNMSVXGG-UHFFFAOYSA-N -1 1 391.461 0.901 20 0 GCADMM Cc1nsc(NC(=O)N2CCC(CN3CCNC3=O)CC2)c1-c1nn[n-]n1 ZINC001571306814 946411958 /nfs/dbraw/zinc/41/19/58/946411958.db2.gz QSHYFTHNMSVXGG-UHFFFAOYSA-N -1 1 391.461 0.901 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573504809 946414664 /nfs/dbraw/zinc/41/46/64/946414664.db2.gz KPOPGSOSUIKFNW-MRVPVSSYSA-N -1 1 384.853 0.373 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573505611 946421197 /nfs/dbraw/zinc/42/11/97/946421197.db2.gz LWZAXQOCFHTUKB-LBPRGKRZSA-N -1 1 392.489 0.443 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573505610 946421444 /nfs/dbraw/zinc/42/14/44/946421444.db2.gz LWZAXQOCFHTUKB-GFCCVEGCSA-N -1 1 392.489 0.443 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573505623 946424739 /nfs/dbraw/zinc/42/47/39/946424739.db2.gz MCJRORQPPLPCSB-LLVKDONJSA-N -1 1 378.462 0.418 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]1C ZINC001573506322 946430282 /nfs/dbraw/zinc/43/02/82/946430282.db2.gz PMZADQMNLBQVJJ-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]1C ZINC001573506322 946430285 /nfs/dbraw/zinc/43/02/85/946430285.db2.gz PMZADQMNLBQVJJ-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CCN2c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573506764 946437304 /nfs/dbraw/zinc/43/73/04/946437304.db2.gz TVUSXQXNOREDJD-RYUDHWBXSA-N -1 1 390.473 0.195 20 0 GCADMM O=C(N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1coc(C(F)F)c1 ZINC001571308890 946437543 /nfs/dbraw/zinc/43/75/43/946437543.db2.gz UKFDPBUGUUJWCQ-RKDXNWHRSA-N -1 1 392.326 0.167 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H]1C ZINC001573507039 946440946 /nfs/dbraw/zinc/44/09/46/946440946.db2.gz UNMXKMXRHLAUKM-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573507449 946445978 /nfs/dbraw/zinc/44/59/78/946445978.db2.gz YAQJBEXGZZFGBF-BXKDBHETSA-N -1 1 392.489 0.664 20 0 GCADMM O=C([C@H]1COc2ccccc2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309568 946449074 /nfs/dbraw/zinc/44/90/74/946449074.db2.gz DKSYUNRYCZWEKF-KGLIPLIRSA-N -1 1 392.423 0.921 20 0 GCADMM O=C([C@H]1COc2ccccc2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309568 946449082 /nfs/dbraw/zinc/44/90/82/946449082.db2.gz DKSYUNRYCZWEKF-KGLIPLIRSA-N -1 1 392.423 0.921 20 0 GCADMM C[C@H]1Cc2cc(C(=O)N[C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)ccc2O1 ZINC001571309642 946449389 /nfs/dbraw/zinc/44/93/89/946449389.db2.gz GNMOHORIJVWJGC-FZMZJTMJSA-N -1 1 392.423 0.989 20 0 GCADMM C[C@H]1Cc2cc(C(=O)N[C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)ccc2O1 ZINC001571309642 946449410 /nfs/dbraw/zinc/44/94/10/946449410.db2.gz GNMOHORIJVWJGC-FZMZJTMJSA-N -1 1 392.423 0.989 20 0 GCADMM Cn1c(=O)[nH]c(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(-c2nn[n-]n2)c1=O ZINC001571309677 946451778 /nfs/dbraw/zinc/45/17/78/946451778.db2.gz HKYSOFJXSHHDGB-VIFPVBQESA-N -1 1 392.420 0.477 20 0 GCADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2ccccc2O1 ZINC001571309753 946452490 /nfs/dbraw/zinc/45/24/90/946452490.db2.gz JOQYZWXBZWSGRZ-ABIUDSBCSA-N -1 1 392.423 0.389 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573508230 946453206 /nfs/dbraw/zinc/45/32/06/946453206.db2.gz YTHAPGMDKGBITK-BXKDBHETSA-N -1 1 392.489 0.807 20 0 GCADMM Cc1cccc2c1O[C@@H](C(=O)N[C@H]1C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C1)C2 ZINC001571309749 946453447 /nfs/dbraw/zinc/45/34/47/946453447.db2.gz JJJQOLNKYLBVBX-MGPQQGTHSA-N -1 1 392.423 0.450 20 0 GCADMM Cc1cccc2c1O[C@@H](C(=O)N[C@@H]1CCN(c3ccnc(-c4nn[n-]n4)n3)C1)C2 ZINC001571309935 946456843 /nfs/dbraw/zinc/45/68/43/946456843.db2.gz PUSJGBZFZVBVGM-ZIAGYGMSSA-N -1 1 392.423 0.664 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573508960 946456896 /nfs/dbraw/zinc/45/68/96/946456896.db2.gz CSTDJZVETSBREV-BXUZGUMPSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573508960 946456901 /nfs/dbraw/zinc/45/69/01/946456901.db2.gz CSTDJZVETSBREV-BXUZGUMPSA-N -1 1 387.448 0.283 20 0 GCADMM C[C@H](Oc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571309887 946457310 /nfs/dbraw/zinc/45/73/10/946457310.db2.gz OGHTZJZYVKFTAR-IHRRRGAJSA-N -1 1 392.423 0.914 20 0 GCADMM O=C(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccc2c(c1)CCO2 ZINC001571309984 946459194 /nfs/dbraw/zinc/45/91/94/946459194.db2.gz REWTVRDPBALPLB-UHFFFAOYSA-N -1 1 392.423 0.990 20 0 GCADMM O=C(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccc2c(c1)CCO2 ZINC001571309984 946459198 /nfs/dbraw/zinc/45/91/98/946459198.db2.gz REWTVRDPBALPLB-UHFFFAOYSA-N -1 1 392.423 0.990 20 0 GCADMM CC(=O)NCC(=O)N1CCCCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573509235 946459437 /nfs/dbraw/zinc/45/94/37/946459437.db2.gz IOMGTOQLNJHAFL-GFCCVEGCSA-N -1 1 392.489 0.951 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1OCCc2ccccc21 ZINC001571310149 946463682 /nfs/dbraw/zinc/46/36/82/946463682.db2.gz WXLXRZSGEHOZSM-CXAGYDPISA-N -1 1 392.423 0.666 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1OCCc2ccccc21 ZINC001571310149 946463689 /nfs/dbraw/zinc/46/36/89/946463689.db2.gz WXLXRZSGEHOZSM-CXAGYDPISA-N -1 1 392.423 0.666 20 0 GCADMM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1Cc2ccccc2O1 ZINC001571310163 946464205 /nfs/dbraw/zinc/46/42/05/946464205.db2.gz XDQOQUGLLWAFGS-MRXNPFEDSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1Cc2ccccc2O1 ZINC001571310163 946464212 /nfs/dbraw/zinc/46/42/12/946464212.db2.gz XDQOQUGLLWAFGS-MRXNPFEDSA-N -1 1 392.423 0.745 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573510002 946468640 /nfs/dbraw/zinc/46/86/40/946468640.db2.gz VDHRIOWSKRLINB-MFKMUULPSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573510002 946468655 /nfs/dbraw/zinc/46/86/55/946468655.db2.gz VDHRIOWSKRLINB-MFKMUULPSA-N -1 1 387.448 0.140 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571310521 946472878 /nfs/dbraw/zinc/47/28/78/946472878.db2.gz IOVDVGWELGZRDX-UWVGGRQHSA-N -1 1 392.445 0.215 20 0 GCADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571310569 946475170 /nfs/dbraw/zinc/47/51/70/946475170.db2.gz JCHJMJYVKNHSQR-RFAUZJTJSA-N -1 1 392.445 0.391 20 0 GCADMM Cc1nsc(NCC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571311502 946488871 /nfs/dbraw/zinc/48/88/71/946488871.db2.gz ZJBHTLGQYHQJTL-NXEZZACHSA-N -1 1 392.445 0.391 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1COc2ccccc2C1 ZINC001571312436 946492121 /nfs/dbraw/zinc/49/21/21/946492121.db2.gz CUFHEBQYOHNIFR-KGLIPLIRSA-N -1 1 392.423 0.603 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1COc2ccccc2C1 ZINC001571312436 946492125 /nfs/dbraw/zinc/49/21/25/946492125.db2.gz CUFHEBQYOHNIFR-KGLIPLIRSA-N -1 1 392.423 0.603 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1COc2ccccc2C1 ZINC001571312435 946492138 /nfs/dbraw/zinc/49/21/38/946492138.db2.gz CUFHEBQYOHNIFR-KBPBESRZSA-N -1 1 392.423 0.603 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1COc2ccccc2C1 ZINC001571312435 946492141 /nfs/dbraw/zinc/49/21/41/946492141.db2.gz CUFHEBQYOHNIFR-KBPBESRZSA-N -1 1 392.423 0.603 20 0 GCADMM O=C(c1cncnc1)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC001571312621 946495181 /nfs/dbraw/zinc/49/51/81/946495181.db2.gz JDQMWPMDIBHULA-FPMFFAJLSA-N -1 1 392.427 0.800 20 0 GCADMM O=C(c1cncnc1)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC001571312621 946495188 /nfs/dbraw/zinc/49/51/88/946495188.db2.gz JDQMWPMDIBHULA-FPMFFAJLSA-N -1 1 392.427 0.800 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573512188 946495603 /nfs/dbraw/zinc/49/56/03/946495603.db2.gz VNYGRAFQTLCVAV-LBPRGKRZSA-N -1 1 375.437 0.044 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573512188 946495609 /nfs/dbraw/zinc/49/56/09/946495609.db2.gz VNYGRAFQTLCVAV-LBPRGKRZSA-N -1 1 375.437 0.044 20 0 GCADMM O=C(c1cncnc1)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC001571312624 946496590 /nfs/dbraw/zinc/49/65/90/946496590.db2.gz JDQMWPMDIBHULA-YUTCNCBUSA-N -1 1 392.427 0.800 20 0 GCADMM O=C(c1cncnc1)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC001571312624 946496599 /nfs/dbraw/zinc/49/65/99/946496599.db2.gz JDQMWPMDIBHULA-YUTCNCBUSA-N -1 1 392.427 0.800 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@@]3(C)C2)n1 ZINC001571312559 946496759 /nfs/dbraw/zinc/49/67/59/946496759.db2.gz HKVZLUYYNLJHIM-XIKOKIGWSA-N -1 1 392.427 0.354 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@@]3(C)C2)n1 ZINC001571312559 946496767 /nfs/dbraw/zinc/49/67/67/946496767.db2.gz HKVZLUYYNLJHIM-XIKOKIGWSA-N -1 1 392.427 0.354 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C12CCC2 ZINC001573512363 946498939 /nfs/dbraw/zinc/49/89/39/946498939.db2.gz FHJAANGDNUCJRY-MNOVXSKESA-N -1 1 390.473 0.607 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571312808 946503909 /nfs/dbraw/zinc/50/39/09/946503909.db2.gz KLEGVHSKHGMKDH-TXEJJXNPSA-N -1 1 392.427 0.466 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571312808 946503915 /nfs/dbraw/zinc/50/39/15/946503915.db2.gz KLEGVHSKHGMKDH-TXEJJXNPSA-N -1 1 392.427 0.466 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573513202 946508053 /nfs/dbraw/zinc/50/80/53/946508053.db2.gz LQCYTZGYVWSSFG-KWQFWETISA-N -1 1 378.462 0.241 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCN(C(=O)c4cncnc4)[C@@H]3C2)n1 ZINC001571313062 946509571 /nfs/dbraw/zinc/50/95/71/946509571.db2.gz MQXUPUXQTDWWJT-SMDDNHRTSA-N -1 1 392.427 0.360 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCN(C(=O)c4cncnc4)[C@@H]3C2)n1 ZINC001571313062 946509585 /nfs/dbraw/zinc/50/95/85/946509585.db2.gz MQXUPUXQTDWWJT-SMDDNHRTSA-N -1 1 392.427 0.360 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC001571313087 946509914 /nfs/dbraw/zinc/50/99/14/946509914.db2.gz NKKOSTYPMFRMBT-DOMZBBRYSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC001571313087 946509923 /nfs/dbraw/zinc/50/99/23/946509923.db2.gz NKKOSTYPMFRMBT-DOMZBBRYSA-N -1 1 392.427 0.578 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571313138 946512119 /nfs/dbraw/zinc/51/21/19/946512119.db2.gz OQXBPDFMOSJASA-LSDHHAIUSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571313138 946512127 /nfs/dbraw/zinc/51/21/27/946512127.db2.gz OQXBPDFMOSJASA-LSDHHAIUSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nnn[n-]4)n2)C3)ncn1 ZINC001571313143 946513416 /nfs/dbraw/zinc/51/34/16/946513416.db2.gz OTLVHDZNKVDYCM-SGTLLEGYSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nn[n-]n4)n2)C3)ncn1 ZINC001571313143 946513420 /nfs/dbraw/zinc/51/34/20/946513420.db2.gz OTLVHDZNKVDYCM-SGTLLEGYSA-N -1 1 392.427 0.544 20 0 GCADMM CC(=O)NCC(=O)NC1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573514261 946523483 /nfs/dbraw/zinc/52/34/83/946523483.db2.gz WAHIRMYQVIIKLY-UHFFFAOYSA-N -1 1 378.462 0.607 20 0 GCADMM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nn[n-]n1 ZINC001573514312 946526115 /nfs/dbraw/zinc/52/61/15/946526115.db2.gz XBFYQHNFKQLABW-YOGCLGLASA-N -1 1 390.473 0.384 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573514833 946534352 /nfs/dbraw/zinc/53/43/52/946534352.db2.gz FBFJFBDPAODHLU-MRVPVSSYSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573514833 946534359 /nfs/dbraw/zinc/53/43/59/946534359.db2.gz FBFJFBDPAODHLU-MRVPVSSYSA-N -1 1 384.853 0.198 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cnc(-c4nnn[n-]4)cn2)C3)cnn1 ZINC001571313849 946535373 /nfs/dbraw/zinc/53/53/73/946535373.db2.gz WKSMXIRGISQIHB-UBHSHLNASA-N -1 1 392.427 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cnc(-c4nn[n-]n4)cn2)C3)cnn1 ZINC001571313849 946535383 /nfs/dbraw/zinc/53/53/83/946535383.db2.gz WKSMXIRGISQIHB-UBHSHLNASA-N -1 1 392.427 0.542 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571313979 946537438 /nfs/dbraw/zinc/53/74/38/946537438.db2.gz YNBULOZYQFUOMY-KBPBESRZSA-N -1 1 392.427 0.220 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571313979 946537447 /nfs/dbraw/zinc/53/74/47/946537447.db2.gz YNBULOZYQFUOMY-KBPBESRZSA-N -1 1 392.427 0.220 20 0 GCADMM O=C(c1ccccc1O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571313998 946540105 /nfs/dbraw/zinc/54/01/05/946540105.db2.gz ZBLGLAXLIBPXFK-OLZOCXBDSA-N -1 1 392.423 0.961 20 0 GCADMM O=C(c1ccccc1O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571313998 946540110 /nfs/dbraw/zinc/54/01/10/946540110.db2.gz ZBLGLAXLIBPXFK-OLZOCXBDSA-N -1 1 392.423 0.961 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573515664 946548391 /nfs/dbraw/zinc/54/83/91/946548391.db2.gz OVQHTWHIXXCFNX-KCJUWKMLSA-N -1 1 378.462 0.241 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCCCCCO)n1 ZINC000824148405 946602297 /nfs/dbraw/zinc/60/22/97/946602297.db2.gz TXIXPPTUUFNFQA-UHFFFAOYSA-N -1 1 378.437 0.426 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCCCCCO)n1 ZINC000824148405 946602306 /nfs/dbraw/zinc/60/23/06/946602306.db2.gz TXIXPPTUUFNFQA-UHFFFAOYSA-N -1 1 378.437 0.426 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573521201 946606837 /nfs/dbraw/zinc/60/68/37/946606837.db2.gz UCMCVQPZHJVBOQ-VXNVDRBHSA-N -1 1 398.880 0.301 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1C ZINC001573521201 946606838 /nfs/dbraw/zinc/60/68/38/946606838.db2.gz UCMCVQPZHJVBOQ-VXNVDRBHSA-N -1 1 398.880 0.301 20 0 GCADMM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000824172658 946606983 /nfs/dbraw/zinc/60/69/83/946606983.db2.gz NFJNWAVSVUZJJB-GFCCVEGCSA-N -1 1 383.416 0.943 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O)c1cccnc1 ZINC001571317501 946611799 /nfs/dbraw/zinc/61/17/99/946611799.db2.gz KDIGEHOSNXFZQT-BDAKNGLRSA-N -1 1 392.832 0.351 20 0 GCADMM Cc1nsc(NC[C@H]2CCN(C(=O)CN3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571317660 946616375 /nfs/dbraw/zinc/61/63/75/946616375.db2.gz QBGJAWKUZXOHPB-GFCCVEGCSA-N -1 1 392.489 0.224 20 0 GCADMM CC[C@H](SC)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571317650 946616410 /nfs/dbraw/zinc/61/64/10/946616410.db2.gz PPROLBYDJORVCB-BLLLJJGKSA-N -1 1 392.489 0.564 20 0 GCADMM CC[C@H](SC)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571317650 946616417 /nfs/dbraw/zinc/61/64/17/946616417.db2.gz PPROLBYDJORVCB-BLLLJJGKSA-N -1 1 392.489 0.564 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC(N(CCO)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571317825 946620872 /nfs/dbraw/zinc/62/08/72/946620872.db2.gz WJNZESULSMRQAI-NSHDSACASA-N -1 1 392.489 0.198 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC(N(CCO)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571317825 946620890 /nfs/dbraw/zinc/62/08/90/946620890.db2.gz WJNZESULSMRQAI-NSHDSACASA-N -1 1 392.489 0.198 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573522352 946625923 /nfs/dbraw/zinc/62/59/23/946625923.db2.gz DCEZPHIHXJWJLE-UHFFFAOYSA-N -1 1 389.464 0.022 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573522352 946625928 /nfs/dbraw/zinc/62/59/28/946625928.db2.gz DCEZPHIHXJWJLE-UHFFFAOYSA-N -1 1 389.464 0.022 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573522598 946626870 /nfs/dbraw/zinc/62/68/70/946626870.db2.gz HDVCKZINDHUGBY-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573522598 946626880 /nfs/dbraw/zinc/62/68/80/946626880.db2.gz HDVCKZINDHUGBY-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573522704 946627239 /nfs/dbraw/zinc/62/72/39/946627239.db2.gz IRICPIPFEDNZHY-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573522704 946627245 /nfs/dbraw/zinc/62/72/45/946627245.db2.gz IRICPIPFEDNZHY-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573523688 946636150 /nfs/dbraw/zinc/63/61/50/946636150.db2.gz VBBRLOVNZPKODD-UHFFFAOYSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573523688 946636156 /nfs/dbraw/zinc/63/61/56/946636156.db2.gz VBBRLOVNZPKODD-UHFFFAOYSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573523829 946638254 /nfs/dbraw/zinc/63/82/54/946638254.db2.gz XFPNDGDKDABIFO-ZWNOBZJWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573523829 946638260 /nfs/dbraw/zinc/63/82/60/946638260.db2.gz XFPNDGDKDABIFO-ZWNOBZJWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573523942 946640847 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383.464 0.615 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573527562 946644543 /nfs/dbraw/zinc/64/45/43/946644543.db2.gz CQRUCAPLGCFDHR-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573527562 946644551 /nfs/dbraw/zinc/64/45/51/946644551.db2.gz CQRUCAPLGCFDHR-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573527585 946645269 /nfs/dbraw/zinc/64/52/69/946645269.db2.gz DLWUYHURCBTVKZ-XYPYZODXSA-N -1 1 392.489 0.853 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536744 946739884 /nfs/dbraw/zinc/73/98/84/946739884.db2.gz BQIQLNXLCOXGOL-SWLSCSKDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536744 946739892 /nfs/dbraw/zinc/73/98/92/946739892.db2.gz BQIQLNXLCOXGOL-SWLSCSKDSA-N -1 1 387.448 0.220 20 0 GCADMM 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CC(=O)N[C@H](C(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573540976 946780891 /nfs/dbraw/zinc/78/08/91/946780891.db2.gz LWJAAKWBOCGKJI-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573540976 946780897 /nfs/dbraw/zinc/78/08/97/946780897.db2.gz LWJAAKWBOCGKJI-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573541181 946783896 /nfs/dbraw/zinc/78/38/96/946783896.db2.gz NRROJMURFNHAIC-WCQYABFASA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573541181 946783907 /nfs/dbraw/zinc/78/39/07/946783907.db2.gz NRROJMURFNHAIC-WCQYABFASA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573541243 946786771 /nfs/dbraw/zinc/78/67/71/946786771.db2.gz PHYVMOMGSUBNDJ-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573541243 946786775 /nfs/dbraw/zinc/78/67/75/946786775.db2.gz PHYVMOMGSUBNDJ-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573541662 946787802 /nfs/dbraw/zinc/78/78/02/946787802.db2.gz VKOIFJSXWOVHTO-WCQYABFASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573541662 946787811 /nfs/dbraw/zinc/78/78/11/946787811.db2.gz VKOIFJSXWOVHTO-WCQYABFASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001573541614 946788179 /nfs/dbraw/zinc/78/81/79/946788179.db2.gz TVVMZIZFMAROJT-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001573541614 946788185 /nfs/dbraw/zinc/78/81/85/946788185.db2.gz TVVMZIZFMAROJT-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573541611 946788446 /nfs/dbraw/zinc/78/84/46/946788446.db2.gz TUFAUHAZWCJELM-TVQRCGJNSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573541611 946788455 /nfs/dbraw/zinc/78/84/55/946788455.db2.gz TUFAUHAZWCJELM-TVQRCGJNSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573541877 946790535 /nfs/dbraw/zinc/79/05/35/946790535.db2.gz WKXMZSWPFWHWAI-SMDDNHRTSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573541877 946790546 /nfs/dbraw/zinc/79/05/46/946790546.db2.gz WKXMZSWPFWHWAI-SMDDNHRTSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573541854 946791147 /nfs/dbraw/zinc/79/11/47/946791147.db2.gz VYICIOOSLQKOIW-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573541854 946791154 /nfs/dbraw/zinc/79/11/54/946791154.db2.gz VYICIOOSLQKOIW-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)Nc1cc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001573542265 946795647 /nfs/dbraw/zinc/79/56/47/946795647.db2.gz DVFMLHXIHFNOLP-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1cc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001573542265 946795651 /nfs/dbraw/zinc/79/56/51/946795651.db2.gz DVFMLHXIHFNOLP-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001573542304 946795982 /nfs/dbraw/zinc/79/59/82/946795982.db2.gz FRLUQGXBZYJEKS-UHFFFAOYSA-N -1 1 384.404 0.436 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001573542304 946795989 /nfs/dbraw/zinc/79/59/89/946795989.db2.gz FRLUQGXBZYJEKS-UHFFFAOYSA-N -1 1 384.404 0.436 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573542991 946802345 /nfs/dbraw/zinc/80/23/45/946802345.db2.gz SFKFBKIVDFPENR-MRVPVSSYSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573542991 946802361 /nfs/dbraw/zinc/80/23/61/946802361.db2.gz SFKFBKIVDFPENR-MRVPVSSYSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573543039 946802506 /nfs/dbraw/zinc/80/25/06/946802506.db2.gz SPBPCGLUBLGWJG-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573543039 946802522 /nfs/dbraw/zinc/80/25/22/946802522.db2.gz SPBPCGLUBLGWJG-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573542792 946804707 /nfs/dbraw/zinc/80/47/07/946804707.db2.gz PLKCBCSGWQCASI-UHFFFAOYSA-N -1 1 381.400 0.799 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573542792 946804713 /nfs/dbraw/zinc/80/47/13/946804713.db2.gz PLKCBCSGWQCASI-UHFFFAOYSA-N -1 1 381.400 0.799 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)ccn1 ZINC001573543297 946807156 /nfs/dbraw/zinc/80/71/56/946807156.db2.gz VKSRMDKZJFEWTN-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)ccn1 ZINC001573543297 946807169 /nfs/dbraw/zinc/80/71/69/946807169.db2.gz VKSRMDKZJFEWTN-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573546983 946822422 /nfs/dbraw/zinc/82/24/22/946822422.db2.gz SQYHPDZNLAETMI-UHFFFAOYSA-N -1 1 381.400 0.221 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001573547064 946825751 /nfs/dbraw/zinc/82/57/51/946825751.db2.gz GIRAPVRSUILCPH-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001573547064 946825761 /nfs/dbraw/zinc/82/57/61/946825761.db2.gz GIRAPVRSUILCPH-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573547977 946844879 /nfs/dbraw/zinc/84/48/79/946844879.db2.gz ZUKPYQSNBAQOLI-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573547977 946844895 /nfs/dbraw/zinc/84/48/95/946844895.db2.gz ZUKPYQSNBAQOLI-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573548309 946850537 /nfs/dbraw/zinc/85/05/37/946850537.db2.gz IGRSTODYGCDCCR-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573548309 946850547 /nfs/dbraw/zinc/85/05/47/946850547.db2.gz IGRSTODYGCDCCR-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573548710 946855284 /nfs/dbraw/zinc/85/52/84/946855284.db2.gz REOHPKVCAVPSQK-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573548710 946855296 /nfs/dbraw/zinc/85/52/96/946855296.db2.gz REOHPKVCAVPSQK-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573548748 946859555 /nfs/dbraw/zinc/85/95/55/946859555.db2.gz SNYJNVRBGMABES-UHFFFAOYSA-N -1 1 382.388 0.160 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573548748 946859569 /nfs/dbraw/zinc/85/95/69/946859569.db2.gz SNYJNVRBGMABES-UHFFFAOYSA-N -1 1 382.388 0.160 20 0 GCADMM CC(=O)Nc1nc(C(=O)N[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001573548956 946860775 /nfs/dbraw/zinc/86/07/75/946860775.db2.gz YINQDJUBDMAPTG-SSDOTTSWSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)N[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001573548956 946860780 /nfs/dbraw/zinc/86/07/80/946860780.db2.gz YINQDJUBDMAPTG-SSDOTTSWSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573548972 946862805 /nfs/dbraw/zinc/86/28/05/946862805.db2.gz ZGDLTTQXYWGMKN-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573548972 946862809 /nfs/dbraw/zinc/86/28/09/946862809.db2.gz ZGDLTTQXYWGMKN-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC1(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)COC1 ZINC000824783775 946931390 /nfs/dbraw/zinc/93/13/90/946931390.db2.gz KHXYZVPHVTVYNG-UHFFFAOYSA-N -1 1 383.368 0.571 20 0 GCADMM CC1(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)COC1 ZINC000824783775 946931400 /nfs/dbraw/zinc/93/14/00/946931400.db2.gz KHXYZVPHVTVYNG-UHFFFAOYSA-N -1 1 383.368 0.571 20 0 GCADMM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824860519 946954683 /nfs/dbraw/zinc/95/46/83/946954683.db2.gz VJQLIIIDXPVGGE-MNOVXSKESA-N -1 1 391.436 0.315 20 0 GCADMM C[C@@H]1NC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])=NN(c2ccccc2)C1=O ZINC000825012645 947044841 /nfs/dbraw/zinc/04/48/41/947044841.db2.gz LBGGGAKSOGLYPH-JTQLQIEISA-N -1 1 392.379 0.849 20 0 GCADMM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825067782 947064684 /nfs/dbraw/zinc/06/46/84/947064684.db2.gz MYBMDXLIOPQPFX-KCJUWKMLSA-N -1 1 379.446 0.522 20 0 GCADMM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825067782 947064699 /nfs/dbraw/zinc/06/46/99/947064699.db2.gz MYBMDXLIOPQPFX-KCJUWKMLSA-N -1 1 379.446 0.522 20 0 GCADMM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825492614 947203128 /nfs/dbraw/zinc/20/31/28/947203128.db2.gz HJEXFYZGYRFORF-AWEZNQCLSA-N -1 1 384.396 0.996 20 0 GCADMM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825492614 947203144 /nfs/dbraw/zinc/20/31/44/947203144.db2.gz HJEXFYZGYRFORF-AWEZNQCLSA-N -1 1 384.396 0.996 20 0 GCADMM CCOC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1cccc(O)c1 ZINC000825493289 947203731 /nfs/dbraw/zinc/20/37/31/947203731.db2.gz JZEOQFFPHIUMCL-OAHLLOKOSA-N -1 1 386.368 0.832 20 0 GCADMM CCOC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000825493289 947203741 /nfs/dbraw/zinc/20/37/41/947203741.db2.gz JZEOQFFPHIUMCL-OAHLLOKOSA-N -1 1 386.368 0.832 20 0 GCADMM CCOC(=O)[C@H](CO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825494334 947204761 /nfs/dbraw/zinc/20/47/61/947204761.db2.gz WNFRFSJHPHHXAX-NSHDSACASA-N -1 1 392.441 0.515 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CCOCC1 ZINC000825494569 947204991 /nfs/dbraw/zinc/20/49/91/947204991.db2.gz YMIAXIUSWPDCTC-AWEZNQCLSA-N -1 1 378.389 0.180 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CCOCC1 ZINC000825494569 947204999 /nfs/dbraw/zinc/20/49/99/947204999.db2.gz YMIAXIUSWPDCTC-AWEZNQCLSA-N -1 1 378.389 0.180 20 0 GCADMM CCOC(=O)N(C)C1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825517774 947211387 /nfs/dbraw/zinc/21/13/87/947211387.db2.gz LZTQPJUOHYDWOV-UHFFFAOYSA-N -1 1 377.405 0.785 20 0 GCADMM CCOC(=O)N(C)C1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825517774 947211395 /nfs/dbraw/zinc/21/13/95/947211395.db2.gz LZTQPJUOHYDWOV-UHFFFAOYSA-N -1 1 377.405 0.785 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N(C)Cc2ccccc2OC)c1-c1nn[n-]n1 ZINC000825564703 947222330 /nfs/dbraw/zinc/22/23/30/947222330.db2.gz DBTSOMQYJUBTEG-UHFFFAOYSA-N -1 1 399.411 0.907 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000825565326 947224619 /nfs/dbraw/zinc/22/46/19/947224619.db2.gz RDTSCRVQVUNMBX-OLZOCXBDSA-N -1 1 389.416 0.410 20 0 GCADMM CCOC(=O)c1cnn(CCNS(=O)(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000825570598 947231699 /nfs/dbraw/zinc/23/16/99/947231699.db2.gz LKZZNKUNTOGSBO-UHFFFAOYSA-N -1 1 391.413 0.218 20 0 GCADMM CCOc1cccc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)n1 ZINC000825649098 947272548 /nfs/dbraw/zinc/27/25/48/947272548.db2.gz LAZZKVJNNICARP-UHFFFAOYSA-N -1 1 398.427 0.848 20 0 GCADMM CCOc1cccc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)n1 ZINC000825649098 947272559 /nfs/dbraw/zinc/27/25/59/947272559.db2.gz LAZZKVJNNICARP-UHFFFAOYSA-N -1 1 398.427 0.848 20 0 GCADMM C=C/C(C)=C\CC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573316917 947285254 /nfs/dbraw/zinc/28/52/54/947285254.db2.gz JMFKYINOOKTDDD-RFULAPGBSA-N -1 1 384.444 0.891 20 0 GCADMM C=C/C(C)=C\CC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573316917 947285261 /nfs/dbraw/zinc/28/52/61/947285261.db2.gz JMFKYINOOKTDDD-RFULAPGBSA-N -1 1 384.444 0.891 20 0 GCADMM C=C/C(C)=C\CC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573316914 947286670 /nfs/dbraw/zinc/28/66/70/947286670.db2.gz JMFKYINOOKTDDD-CHPJVMLBSA-N -1 1 384.444 0.891 20 0 GCADMM C=C/C(C)=C\CC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573316914 947286675 /nfs/dbraw/zinc/28/66/75/947286675.db2.gz JMFKYINOOKTDDD-CHPJVMLBSA-N -1 1 384.444 0.891 20 0 GCADMM C=C/C(C)=C/CC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573317403 947296598 /nfs/dbraw/zinc/29/65/98/947296598.db2.gz OBYYDCPHFIRXDX-YIXHJXPBSA-N -1 1 384.444 0.627 20 0 GCADMM C=C/C(C)=C/CC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573317403 947296605 /nfs/dbraw/zinc/29/66/05/947296605.db2.gz OBYYDCPHFIRXDX-YIXHJXPBSA-N -1 1 384.444 0.627 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573591760 947319853 /nfs/dbraw/zinc/31/98/53/947319853.db2.gz FGXVPIQYWNTREX-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573591760 947319868 /nfs/dbraw/zinc/31/98/68/947319868.db2.gz FGXVPIQYWNTREX-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573592303 947334221 /nfs/dbraw/zinc/33/42/21/947334221.db2.gz IYPDRSYVIRLHBM-STQMWFEESA-N -1 1 388.476 0.790 20 0 GCADMM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573592652 947345791 /nfs/dbraw/zinc/34/57/91/947345791.db2.gz MAIUDZRPRBPQHE-SECBINFHSA-N -1 1 384.487 0.004 20 0 GCADMM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000825875195 947352670 /nfs/dbraw/zinc/35/26/70/947352670.db2.gz DICGQVVWTCWZBH-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000825875195 947352683 /nfs/dbraw/zinc/35/26/83/947352683.db2.gz DICGQVVWTCWZBH-UHFFFAOYSA-N -1 1 387.425 0.442 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000825933875 947375606 /nfs/dbraw/zinc/37/56/06/947375606.db2.gz HJAQAVQAXUBIEA-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573593827 947381126 /nfs/dbraw/zinc/38/11/26/947381126.db2.gz WETUFEBMOFOFQZ-GFCCVEGCSA-N -1 1 384.448 0.433 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573594205 947388325 /nfs/dbraw/zinc/38/83/25/947388325.db2.gz OQIWDGHXVGFNPW-WCBMZHEXSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573594459 947394062 /nfs/dbraw/zinc/39/40/62/947394062.db2.gz ZIEGIXIUZYKWMT-NEPJUHHUSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573594459 947394074 /nfs/dbraw/zinc/39/40/74/947394074.db2.gz ZIEGIXIUZYKWMT-NEPJUHHUSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573594502 947399839 /nfs/dbraw/zinc/39/98/39/947399839.db2.gz BITBMMYXNOVIAM-JQWIXIFHSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573594502 947399843 /nfs/dbraw/zinc/39/98/43/947399843.db2.gz BITBMMYXNOVIAM-JQWIXIFHSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573594572 947401432 /nfs/dbraw/zinc/40/14/32/947401432.db2.gz QRVCGUOBZWGRRI-GWCFXTLKSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573594572 947401436 /nfs/dbraw/zinc/40/14/36/947401436.db2.gz QRVCGUOBZWGRRI-GWCFXTLKSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573594697 947403915 /nfs/dbraw/zinc/40/39/15/947403915.db2.gz CKIJKKYETSIMKS-GHMZBOCLSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573594697 947403920 /nfs/dbraw/zinc/40/39/20/947403920.db2.gz CKIJKKYETSIMKS-GHMZBOCLSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573594698 947404217 /nfs/dbraw/zinc/40/42/17/947404217.db2.gz CKIJKKYETSIMKS-MNOVXSKESA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573594698 947404223 /nfs/dbraw/zinc/40/42/23/947404223.db2.gz CKIJKKYETSIMKS-MNOVXSKESA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573595053 947414542 /nfs/dbraw/zinc/41/45/42/947414542.db2.gz FHGZZIXDIYMHDS-TZMCWYRMSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573595053 947414549 /nfs/dbraw/zinc/41/45/49/947414549.db2.gz FHGZZIXDIYMHDS-TZMCWYRMSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573597334 947437516 /nfs/dbraw/zinc/43/75/16/947437516.db2.gz NOIOBSUGTBFHIE-GHMZBOCLSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573597334 947437520 /nfs/dbraw/zinc/43/75/20/947437520.db2.gz NOIOBSUGTBFHIE-GHMZBOCLSA-N -1 1 388.457 0.753 20 0 GCADMM COC(=O)C1(O)CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000826129333 947443960 /nfs/dbraw/zinc/44/39/60/947443960.db2.gz PFMRHKUVNZJQIQ-SNVBAGLBSA-N -1 1 392.416 0.403 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573599210 947452632 /nfs/dbraw/zinc/45/26/32/947452632.db2.gz VUWUEUSXBBFDNI-DGCLKSJQSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573599210 947452643 /nfs/dbraw/zinc/45/26/43/947452643.db2.gz VUWUEUSXBBFDNI-DGCLKSJQSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573599271 947452960 /nfs/dbraw/zinc/45/29/60/947452960.db2.gz WYQJHCHVJLGBBK-GHMZBOCLSA-N -1 1 391.436 0.487 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573599616 947458017 /nfs/dbraw/zinc/45/80/17/947458017.db2.gz YSZWPCGNOBJYPJ-RKDXNWHRSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573599616 947458027 /nfs/dbraw/zinc/45/80/27/947458027.db2.gz YSZWPCGNOBJYPJ-RKDXNWHRSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573604088 947505182 /nfs/dbraw/zinc/50/51/82/947505182.db2.gz RRUADDVMAPQURY-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573604088 947505185 /nfs/dbraw/zinc/50/51/85/947505185.db2.gz RRUADDVMAPQURY-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](C(=O)N(C)CCOCCNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001573604750 947515226 /nfs/dbraw/zinc/51/52/26/947515226.db2.gz QVLFNJSZWBVMIN-TZMCWYRMSA-N -1 1 390.448 0.359 20 0 GCADMM C[C@@H](C(=O)N(C)CCOCCNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001573604750 947515235 /nfs/dbraw/zinc/51/52/35/947515235.db2.gz QVLFNJSZWBVMIN-TZMCWYRMSA-N -1 1 390.448 0.359 20 0 GCADMM COCc1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826165418 947519368 /nfs/dbraw/zinc/51/93/68/947519368.db2.gz UIMPOCCYILMSGY-UHFFFAOYSA-N -1 1 391.461 0.788 20 0 GCADMM COCc1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826165418 947519380 /nfs/dbraw/zinc/51/93/80/947519380.db2.gz UIMPOCCYILMSGY-UHFFFAOYSA-N -1 1 391.461 0.788 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)N(C)CC(F)(F)F ZINC001573605043 947524094 /nfs/dbraw/zinc/52/40/94/947524094.db2.gz TWEQXKLHHSOHAU-VIFPVBQESA-N -1 1 387.370 0.410 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)N(C)CC(F)(F)F ZINC001573605043 947524104 /nfs/dbraw/zinc/52/41/04/947524104.db2.gz TWEQXKLHHSOHAU-VIFPVBQESA-N -1 1 387.370 0.410 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573607070 947538760 /nfs/dbraw/zinc/53/87/60/947538760.db2.gz DVZGWHVFISQDAI-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573607070 947538770 /nfs/dbraw/zinc/53/87/70/947538770.db2.gz DVZGWHVFISQDAI-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)n1cncn1 ZINC001573613566 947565165 /nfs/dbraw/zinc/56/51/65/947565165.db2.gz COMDYLIWQNQHSC-PWSUYJOCSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cncn1 ZINC001573613566 947565172 /nfs/dbraw/zinc/56/51/72/947565172.db2.gz COMDYLIWQNQHSC-PWSUYJOCSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)n1cccn1 ZINC001573614736 947589898 /nfs/dbraw/zinc/58/98/98/947589898.db2.gz OQOLSDYXOOTTTQ-AAEUAGOBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cccn1 ZINC001573614736 947589906 /nfs/dbraw/zinc/58/99/06/947589906.db2.gz OQOLSDYXOOTTTQ-AAEUAGOBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cncn1 ZINC001573615630 947608212 /nfs/dbraw/zinc/60/82/12/947608212.db2.gz FBHSCVLGFCNZEP-NSHDSACASA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cncn1 ZINC001573615630 947608218 /nfs/dbraw/zinc/60/82/18/947608218.db2.gz FBHSCVLGFCNZEP-NSHDSACASA-N -1 1 383.420 0.160 20 0 GCADMM COc1ccc(OC)c([C@H](O)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826210988 947616057 /nfs/dbraw/zinc/61/60/57/947616057.db2.gz LRGYEOQHECTSBK-CYBMUJFWSA-N -1 1 388.384 0.573 20 0 GCADMM COc1ccc(OC)c([C@H](O)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826210988 947616062 /nfs/dbraw/zinc/61/60/62/947616062.db2.gz LRGYEOQHECTSBK-CYBMUJFWSA-N -1 1 388.384 0.573 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573616225 947619081 /nfs/dbraw/zinc/61/90/81/947619081.db2.gz MDNNTEZGHJXDRW-MEDUHNTESA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573616225 947619086 /nfs/dbraw/zinc/61/90/86/947619086.db2.gz MDNNTEZGHJXDRW-MEDUHNTESA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573616432 947621038 /nfs/dbraw/zinc/62/10/38/947621038.db2.gz IMMIEIMFMRGDNM-GFCCVEGCSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573616432 947621048 /nfs/dbraw/zinc/62/10/48/947621048.db2.gz IMMIEIMFMRGDNM-GFCCVEGCSA-N -1 1 382.432 0.765 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573354329 947630252 /nfs/dbraw/zinc/63/02/52/947630252.db2.gz ADMBSWZMQTUKGF-CQSZACIVSA-N -1 1 380.412 0.811 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573354329 947630262 /nfs/dbraw/zinc/63/02/62/947630262.db2.gz ADMBSWZMQTUKGF-CQSZACIVSA-N -1 1 380.412 0.811 20 0 GCADMM COc1cccc(N2C[C@@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2=O)c1 ZINC000826216591 947633576 /nfs/dbraw/zinc/63/35/76/947633576.db2.gz GBSOJQHAEVYKTD-NSHDSACASA-N -1 1 397.395 0.636 20 0 GCADMM COc1cccc(N2C[C@@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2=O)c1 ZINC000826216591 947633587 /nfs/dbraw/zinc/63/35/87/947633587.db2.gz GBSOJQHAEVYKTD-NSHDSACASA-N -1 1 397.395 0.636 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573617994 947645630 /nfs/dbraw/zinc/64/56/30/947645630.db2.gz OHCPWISBQGVHGC-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573617994 947645639 /nfs/dbraw/zinc/64/56/39/947645639.db2.gz OHCPWISBQGVHGC-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)cc1 ZINC001573356286 947651286 /nfs/dbraw/zinc/65/12/86/947651286.db2.gz WEYCUXRTKVQRHY-ZBFHGGJFSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1 ZINC001573356286 947651292 /nfs/dbraw/zinc/65/12/92/947651292.db2.gz WEYCUXRTKVQRHY-ZBFHGGJFSA-N -1 1 392.423 0.669 20 0 GCADMM COc1ccccc1N1CC[C@@H](NC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1=O ZINC000826220160 947651605 /nfs/dbraw/zinc/65/16/05/947651605.db2.gz DOIXRBOFZISZGO-LLVKDONJSA-N -1 1 397.395 0.636 20 0 GCADMM COc1ccccc1N1CC[C@@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1=O ZINC000826220160 947651609 /nfs/dbraw/zinc/65/16/09/947651609.db2.gz DOIXRBOFZISZGO-LLVKDONJSA-N -1 1 397.395 0.636 20 0 GCADMM C[C@H](C(=O)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573619629 947668026 /nfs/dbraw/zinc/66/80/26/947668026.db2.gz WKVVTQYKAFXCNZ-LBPRGKRZSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573619905 947674541 /nfs/dbraw/zinc/67/45/41/947674541.db2.gz XMEXLODXYJRIBI-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573619905 947674546 /nfs/dbraw/zinc/67/45/46/947674546.db2.gz XMEXLODXYJRIBI-NEPJUHHUSA-N -1 1 383.420 0.160 20 0 GCADMM C/C(=C\C(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573363984 947716080 /nfs/dbraw/zinc/71/60/80/947716080.db2.gz OSFQJEXITFCFKP-XYOKQWHBSA-N -1 1 384.444 0.461 20 0 GCADMM C/C(=C\C(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573363984 947716089 /nfs/dbraw/zinc/71/60/89/947716089.db2.gz OSFQJEXITFCFKP-XYOKQWHBSA-N -1 1 384.444 0.461 20 0 GCADMM C[C@@H](C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573627086 947716769 /nfs/dbraw/zinc/71/67/69/947716769.db2.gz YMTAAHIZZMFHTE-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573627086 947716776 /nfs/dbraw/zinc/71/67/76/947716776.db2.gz YMTAAHIZZMFHTE-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001573626968 947717443 /nfs/dbraw/zinc/71/74/43/947717443.db2.gz YFAOHNVYGJLRDW-GFCCVEGCSA-N -1 1 379.428 0.680 20 0 GCADMM C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573627135 947720338 /nfs/dbraw/zinc/72/03/38/947720338.db2.gz ZHEAOAAEAYLXBF-NSHDSACASA-N -1 1 382.432 0.019 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573627390 947722046 /nfs/dbraw/zinc/72/20/46/947722046.db2.gz AQFHIIMFVWPLBJ-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573627522 947727542 /nfs/dbraw/zinc/72/75/42/947727542.db2.gz CYDIQSICOONENC-QWHCGFSZSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573627907 947737680 /nfs/dbraw/zinc/73/76/80/947737680.db2.gz HEKWXQGGEBIFFS-WCQYABFASA-N -1 1 382.432 0.019 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573367784 947762630 /nfs/dbraw/zinc/76/26/30/947762630.db2.gz IHMPRVUFMPHLAT-OKILXGFUSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573367784 947762634 /nfs/dbraw/zinc/76/26/34/947762634.db2.gz IHMPRVUFMPHLAT-OKILXGFUSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573628881 947767774 /nfs/dbraw/zinc/76/77/74/947767774.db2.gz OVQAYVSRIKFOHU-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573628881 947767778 /nfs/dbraw/zinc/76/77/78/947767778.db2.gz OVQAYVSRIKFOHU-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573368772 947768869 /nfs/dbraw/zinc/76/88/69/947768869.db2.gz OXLOUDUKQGSPFB-OCCSQVGLSA-N -1 1 386.460 0.734 20 0 GCADMM Cc1cc(N2CCC[C@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000826269436 947778052 /nfs/dbraw/zinc/77/80/52/947778052.db2.gz MBWJOCSARUKSQD-NSHDSACASA-N -1 1 399.415 0.059 20 0 GCADMM Cc1cc(N2CCC[C@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000826269436 947778057 /nfs/dbraw/zinc/77/80/57/947778057.db2.gz MBWJOCSARUKSQD-NSHDSACASA-N -1 1 399.415 0.059 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573630054 947785488 /nfs/dbraw/zinc/78/54/88/947785488.db2.gz QFVFEBRYKHMXTJ-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573630054 947785492 /nfs/dbraw/zinc/78/54/92/947785492.db2.gz QFVFEBRYKHMXTJ-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573372945 947786310 /nfs/dbraw/zinc/78/63/10/947786310.db2.gz GEZICKPQBZTDMG-AWEZNQCLSA-N -1 1 386.460 0.879 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573373341 947792401 /nfs/dbraw/zinc/79/24/01/947792401.db2.gz IBWVXHFZCNLLFA-LSDHHAIUSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573373341 947792410 /nfs/dbraw/zinc/79/24/10/947792410.db2.gz IBWVXHFZCNLLFA-LSDHHAIUSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573630617 947794206 /nfs/dbraw/zinc/79/42/06/947794206.db2.gz ZUOFRCZFKVWDOA-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573630617 947794213 /nfs/dbraw/zinc/79/42/13/947794213.db2.gz ZUOFRCZFKVWDOA-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573630748 947794682 /nfs/dbraw/zinc/79/46/82/947794682.db2.gz RWINQPHURJENLD-YPMHNXCESA-N -1 1 382.432 0.019 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573631117 947796669 /nfs/dbraw/zinc/79/66/69/947796669.db2.gz SZXMRRMMGVPXNG-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573631117 947796673 /nfs/dbraw/zinc/79/66/73/947796673.db2.gz SZXMRRMMGVPXNG-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573373959 947802663 /nfs/dbraw/zinc/80/26/63/947802663.db2.gz HGKDXOIRAXCWRN-KGLIPLIRSA-N -1 1 386.460 0.925 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573374310 947806195 /nfs/dbraw/zinc/80/61/95/947806195.db2.gz JCAGEYZWHQBIRB-CQSZACIVSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573374310 947806208 /nfs/dbraw/zinc/80/62/08/947806208.db2.gz JCAGEYZWHQBIRB-CQSZACIVSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573632008 947806640 /nfs/dbraw/zinc/80/66/40/947806640.db2.gz XYAQQFYZMKQBGE-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573632008 947806649 /nfs/dbraw/zinc/80/66/49/947806649.db2.gz XYAQQFYZMKQBGE-DGCLKSJQSA-N -1 1 382.432 0.597 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573374507 947808725 /nfs/dbraw/zinc/80/87/25/947808725.db2.gz NMTOFERYUHNSCG-KGLIPLIRSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573374507 947808741 /nfs/dbraw/zinc/80/87/41/947808741.db2.gz NMTOFERYUHNSCG-KGLIPLIRSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573637498 947815369 /nfs/dbraw/zinc/81/53/69/947815369.db2.gz GMOBFFAWLRQWTG-OCCSQVGLSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001573637486 947815710 /nfs/dbraw/zinc/81/57/10/947815710.db2.gz FZKZJQRLTAXKBC-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001573637486 947815715 /nfs/dbraw/zinc/81/57/15/947815715.db2.gz FZKZJQRLTAXKBC-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cnn(C)c1 ZINC001573637615 947820181 /nfs/dbraw/zinc/82/01/81/947820181.db2.gz KOGHYNACZCRSMX-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cnn(C)c1 ZINC001573637615 947820192 /nfs/dbraw/zinc/82/01/92/947820192.db2.gz KOGHYNACZCRSMX-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cccnc1 ZINC001573637920 947828671 /nfs/dbraw/zinc/82/86/71/947828671.db2.gz WDSJHTGFXCHCOG-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001573637920 947828681 /nfs/dbraw/zinc/82/86/81/947828681.db2.gz WDSJHTGFXCHCOG-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573376865 947843661 /nfs/dbraw/zinc/84/36/61/947843661.db2.gz ZQBBIFQDYCPQCL-MJBXVCDLSA-N -1 1 384.444 0.890 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573376865 947843666 /nfs/dbraw/zinc/84/36/66/947843666.db2.gz ZQBBIFQDYCPQCL-MJBXVCDLSA-N -1 1 384.444 0.890 20 0 GCADMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)CC3 ZINC000826293200 947851038 /nfs/dbraw/zinc/85/10/38/947851038.db2.gz FMAWRWYSRYJLIL-NSHDSACASA-N -1 1 377.412 0.922 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573378271 947853965 /nfs/dbraw/zinc/85/39/65/947853965.db2.gz XRTDEFOOZBTSOT-SCLBCKFNSA-N -1 1 384.444 0.701 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573378271 947853970 /nfs/dbraw/zinc/85/39/70/947853970.db2.gz XRTDEFOOZBTSOT-SCLBCKFNSA-N -1 1 384.444 0.701 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573641746 947858682 /nfs/dbraw/zinc/85/86/82/947858682.db2.gz NDXGAVGKWSMVEE-NEPJUHHUSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573641746 947858689 /nfs/dbraw/zinc/85/86/89/947858689.db2.gz NDXGAVGKWSMVEE-NEPJUHHUSA-N -1 1 384.400 0.693 20 0 GCADMM CC(=O)CCCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573381020 947868694 /nfs/dbraw/zinc/86/86/94/947868694.db2.gz NGUBKLZQGNQDQD-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM CC(=O)CCCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573381020 947868699 /nfs/dbraw/zinc/86/86/99/947868699.db2.gz NGUBKLZQGNQDQD-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001573381723 947878450 /nfs/dbraw/zinc/87/84/50/947878450.db2.gz YGOKPZBLZXMDSO-KRWDZBQOSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001573381723 947878458 /nfs/dbraw/zinc/87/84/58/947878458.db2.gz YGOKPZBLZXMDSO-KRWDZBQOSA-N -1 1 388.432 0.128 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647063 947883141 /nfs/dbraw/zinc/88/31/41/947883141.db2.gz BJDVGRBOUMXVEC-FQUUOJAGSA-N -1 1 384.444 0.366 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001573382662 947884802 /nfs/dbraw/zinc/88/48/02/947884802.db2.gz JKPCHCLBUZBZQT-ZDUSSCGKSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001573382662 947884807 /nfs/dbraw/zinc/88/48/07/947884807.db2.gz JKPCHCLBUZBZQT-ZDUSSCGKSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001573383208 947890633 /nfs/dbraw/zinc/89/06/33/947890633.db2.gz PYNGVTMBUQPDAE-CYBMUJFWSA-N -1 1 388.432 0.128 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C(F)(F)F ZINC001573647304 947890620 /nfs/dbraw/zinc/89/06/20/947890620.db2.gz HLMLCLFOGNGXGU-BBBLOLIVSA-N -1 1 382.350 0.750 20 0 GCADMM CC(=O)N1CCC(NC(=O)CN2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC1 ZINC001602744016 971439181 /nfs/dbraw/zinc/43/91/81/971439181.db2.gz CZWLFJNSPTXRIA-HUUCEWRRSA-N -1 1 391.472 0.037 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O ZINC001573384187 947900196 /nfs/dbraw/zinc/90/01/96/947900196.db2.gz IPYAQAPVRJBOQP-GHMZBOCLSA-N -1 1 379.446 0.057 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C(F)(F)F ZINC001573647723 947901477 /nfs/dbraw/zinc/90/14/77/947901477.db2.gz SIZYYIFXNDLYFN-LPEHRKFASA-N -1 1 382.350 0.750 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C(F)(F)F ZINC001573647723 947901487 /nfs/dbraw/zinc/90/14/87/947901487.db2.gz SIZYYIFXNDLYFN-LPEHRKFASA-N -1 1 382.350 0.750 20 0 GCADMM C[C@H](C(=O)N=[S@](C)(=O)c1ccc(N(C)C)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651158 947917988 /nfs/dbraw/zinc/91/79/88/947917988.db2.gz JALNZDUTEJNHJK-GFVXYOJSSA-N -1 1 389.445 0.769 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573388346 947918620 /nfs/dbraw/zinc/91/86/20/947918620.db2.gz LFQBWVJVLYJNDS-AWEZNQCLSA-N -1 1 389.435 0.517 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573388617 947920106 /nfs/dbraw/zinc/92/01/06/947920106.db2.gz MWEZYVHWJBCCAK-UHFFFAOYSA-N -1 1 392.489 0.537 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573389055 947922280 /nfs/dbraw/zinc/92/22/80/947922280.db2.gz PHKVRFLVBAJMGR-NSHDSACASA-N -1 1 378.462 0.147 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573389883 947926382 /nfs/dbraw/zinc/92/63/82/947926382.db2.gz VANIZVANNCALIC-UHFFFAOYSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573389883 947926387 /nfs/dbraw/zinc/92/63/87/947926387.db2.gz VANIZVANNCALIC-UHFFFAOYSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573390908 947933566 /nfs/dbraw/zinc/93/35/66/947933566.db2.gz DREIHNQDULJJJV-GFCCVEGCSA-N -1 1 392.489 0.903 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573652577 947941647 /nfs/dbraw/zinc/94/16/47/947941647.db2.gz DUMZCLBUAZENMA-XIKOKIGWSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cncn1 ZINC001573652691 947944910 /nfs/dbraw/zinc/94/49/10/947944910.db2.gz GMLUBIIYGJJOOC-QLJPJBMISA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cncn1 ZINC001573652691 947944922 /nfs/dbraw/zinc/94/49/22/947944922.db2.gz GMLUBIIYGJJOOC-QLJPJBMISA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573392190 947945231 /nfs/dbraw/zinc/94/52/31/947945231.db2.gz VZFREGVWUMIQFK-RISCZKNCSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573392190 947945241 /nfs/dbraw/zinc/94/52/41/947945241.db2.gz VZFREGVWUMIQFK-RISCZKNCSA-N -1 1 387.448 0.317 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCC=C(F)C3)CC2)o1 ZINC000826323006 947945774 /nfs/dbraw/zinc/94/57/74/947945774.db2.gz LTLVWOGLYLSTRY-UHFFFAOYSA-N -1 1 376.396 0.371 20 0 GCADMM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)n1 ZINC000826324609 947948415 /nfs/dbraw/zinc/94/84/15/947948415.db2.gz XWLIVDARNOFSIL-CYBMUJFWSA-N -1 1 385.432 0.853 20 0 GCADMM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)n1 ZINC000826324609 947948420 /nfs/dbraw/zinc/94/84/20/947948420.db2.gz XWLIVDARNOFSIL-CYBMUJFWSA-N -1 1 385.432 0.853 20 0 GCADMM Cc1nc(CN(C)[C@H]2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)no1 ZINC000826325703 947949234 /nfs/dbraw/zinc/94/92/34/947949234.db2.gz ITNANSBIJLELGA-NSHDSACASA-N -1 1 387.404 0.130 20 0 GCADMM Cc1nc(CN(C)[C@H]2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)no1 ZINC000826325703 947949243 /nfs/dbraw/zinc/94/92/43/947949243.db2.gz ITNANSBIJLELGA-NSHDSACASA-N -1 1 387.404 0.130 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573392832 947950685 /nfs/dbraw/zinc/95/06/85/947950685.db2.gz GBNHZTDXZMWVBC-UHFFFAOYSA-N -1 1 392.489 0.903 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573392843 947952150 /nfs/dbraw/zinc/95/21/50/947952150.db2.gz GJXDJJQYMWRKEF-BXUZGUMPSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573392843 947952153 /nfs/dbraw/zinc/95/21/53/947952153.db2.gz GJXDJJQYMWRKEF-BXUZGUMPSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573394044 947962022 /nfs/dbraw/zinc/96/20/22/947962022.db2.gz RZUSKBSCXMTLGC-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573394044 947962031 /nfs/dbraw/zinc/96/20/31/947962031.db2.gz RZUSKBSCXMTLGC-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)n1cncn1 ZINC001573654479 947965376 /nfs/dbraw/zinc/96/53/76/947965376.db2.gz RJOZBMBXXXDHCJ-QWRGUYRKSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)n1cncn1 ZINC001573654479 947965382 /nfs/dbraw/zinc/96/53/82/947965382.db2.gz RJOZBMBXXXDHCJ-QWRGUYRKSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)n1cncn1 ZINC001573654477 947966085 /nfs/dbraw/zinc/96/60/85/947966085.db2.gz RJOZBMBXXXDHCJ-GHMZBOCLSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)n1cncn1 ZINC001573654477 947966091 /nfs/dbraw/zinc/96/60/91/947966091.db2.gz RJOZBMBXXXDHCJ-GHMZBOCLSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573394694 947966408 /nfs/dbraw/zinc/96/64/08/947966408.db2.gz VBFVNCASVLXWLC-WCQYABFASA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573394694 947966413 /nfs/dbraw/zinc/96/64/13/947966413.db2.gz VBFVNCASVLXWLC-WCQYABFASA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573395087 947968196 /nfs/dbraw/zinc/96/81/96/947968196.db2.gz XBKDGZZMPJPMRN-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573395087 947968205 /nfs/dbraw/zinc/96/82/05/947968205.db2.gz XBKDGZZMPJPMRN-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573395654 947970567 /nfs/dbraw/zinc/97/05/67/947970567.db2.gz ZOYOCPSBZIPNEV-SKDRFNHKSA-N -1 1 392.489 0.759 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001573654699 947970646 /nfs/dbraw/zinc/97/06/46/947970646.db2.gz SWDCLCIBXDRFEF-APPDUMDISA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573654699 947970649 /nfs/dbraw/zinc/97/06/49/947970649.db2.gz SWDCLCIBXDRFEF-APPDUMDISA-N -1 1 382.432 0.811 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573397555 947971746 /nfs/dbraw/zinc/97/17/46/947971746.db2.gz BXKGGHXFMMVFLX-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573397555 947971756 /nfs/dbraw/zinc/97/17/56/947971756.db2.gz BXKGGHXFMMVFLX-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573655428 947978205 /nfs/dbraw/zinc/97/82/05/947978205.db2.gz XHWQGKMVCHSGCV-SMDDNHRTSA-N -1 1 379.428 0.584 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCN(C(C)C)C(=O)C2)c(-c2nn[n-]n2)c1C ZINC000826341515 947981248 /nfs/dbraw/zinc/98/12/48/947981248.db2.gz JNYSMWSJMJOLOK-NSHDSACASA-N -1 1 375.433 0.956 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573655957 947984391 /nfs/dbraw/zinc/98/43/91/947984391.db2.gz AIIBNHLITIBYAP-KPZWWZAWSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573398875 947987041 /nfs/dbraw/zinc/98/70/41/947987041.db2.gz QCZWWJUDBHCMIV-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573398875 947987047 /nfs/dbraw/zinc/98/70/47/947987047.db2.gz QCZWWJUDBHCMIV-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573398979 947987687 /nfs/dbraw/zinc/98/76/87/947987687.db2.gz RTZYWAHYAORGTB-NSHDSACASA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573398979 947987693 /nfs/dbraw/zinc/98/76/93/947987693.db2.gz RTZYWAHYAORGTB-NSHDSACASA-N -1 1 375.437 0.078 20 0 GCADMM Cc1onc(CC(=O)N(C)C[C@H]2CCCN2c2cccnn2)c1-c1nnn[n-]1 ZINC000826343215 947988401 /nfs/dbraw/zinc/98/84/01/947988401.db2.gz QZSJCQKOFIERMD-GFCCVEGCSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1onc(CC(=O)N(C)C[C@H]2CCCN2c2cccnn2)c1-c1nn[n-]n1 ZINC000826343215 947988409 /nfs/dbraw/zinc/98/84/09/947988409.db2.gz QZSJCQKOFIERMD-GFCCVEGCSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1-c1nnn[n-]1 ZINC000826343170 947989168 /nfs/dbraw/zinc/98/91/68/947989168.db2.gz PGPOJCJCUHXITM-GFCCVEGCSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1-c1nn[n-]n1 ZINC000826343170 947989172 /nfs/dbraw/zinc/98/91/72/947989172.db2.gz PGPOJCJCUHXITM-GFCCVEGCSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826343283 947989234 /nfs/dbraw/zinc/98/92/34/947989234.db2.gz UOLVJXCMSWVGIB-NEPJUHHUSA-N -1 1 382.446 0.520 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826343283 947989240 /nfs/dbraw/zinc/98/92/40/947989240.db2.gz UOLVJXCMSWVGIB-NEPJUHHUSA-N -1 1 382.446 0.520 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573656430 947989986 /nfs/dbraw/zinc/98/99/86/947989986.db2.gz GLVSCFMYMHPYKH-XIKOKIGWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573656430 947989995 /nfs/dbraw/zinc/98/99/95/947989995.db2.gz GLVSCFMYMHPYKH-XIKOKIGWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573656470 947990982 /nfs/dbraw/zinc/99/09/82/947990982.db2.gz GRJJZTAUAPPCGA-APPDUMDISA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573656590 947992817 /nfs/dbraw/zinc/99/28/17/947992817.db2.gz HTSSOMDFGQOPJB-XIKOKIGWSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573656590 947992822 /nfs/dbraw/zinc/99/28/22/947992822.db2.gz HTSSOMDFGQOPJB-XIKOKIGWSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N(C)CC(=O)NC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573401466 947997816 /nfs/dbraw/zinc/99/78/16/947997816.db2.gz CKKXPWRENDBWAT-UHFFFAOYSA-N -1 1 378.462 0.195 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573401868 947999454 /nfs/dbraw/zinc/99/94/54/947999454.db2.gz DVVHOIKEYFJERR-ZETCQYMHSA-N -1 1 386.869 0.619 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573401868 947999458 /nfs/dbraw/zinc/99/94/58/947999458.db2.gz DVVHOIKEYFJERR-ZETCQYMHSA-N -1 1 386.869 0.619 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573401907 948000151 /nfs/dbraw/zinc/00/01/51/948000151.db2.gz FIGHFGIKXXKQPE-QWHCGFSZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573401907 948000156 /nfs/dbraw/zinc/00/01/56/948000156.db2.gz FIGHFGIKXXKQPE-QWHCGFSZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573402801 948004556 /nfs/dbraw/zinc/00/45/56/948004556.db2.gz IOWVYAYVYSKCRV-ZETCQYMHSA-N -1 1 386.869 0.619 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccccn3)CC2)c1-c1nnn[n-]1 ZINC000826344412 948006104 /nfs/dbraw/zinc/00/61/04/948006104.db2.gz HBCPINVFARHMJV-UHFFFAOYSA-N -1 1 382.384 0.085 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccccn3)CC2)c1-c1nn[n-]n1 ZINC000826344412 948006110 /nfs/dbraw/zinc/00/61/10/948006110.db2.gz HBCPINVFARHMJV-UHFFFAOYSA-N -1 1 382.384 0.085 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573658251 948006201 /nfs/dbraw/zinc/00/62/01/948006201.db2.gz RFXRMXFTEQUBBX-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573658251 948006210 /nfs/dbraw/zinc/00/62/10/948006210.db2.gz RFXRMXFTEQUBBX-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM Cc1onc(CC(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344457 948007298 /nfs/dbraw/zinc/00/72/98/948007298.db2.gz ISOOASQVSJTPCS-LLVKDONJSA-N -1 1 378.389 0.275 20 0 GCADMM Cc1onc(CC(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344457 948007307 /nfs/dbraw/zinc/00/73/07/948007307.db2.gz ISOOASQVSJTPCS-LLVKDONJSA-N -1 1 378.389 0.275 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccsc3)CC2)c1-c1nnn[n-]1 ZINC000826344482 948008840 /nfs/dbraw/zinc/00/88/40/948008840.db2.gz JHEJGROZYYKFKP-UHFFFAOYSA-N -1 1 387.425 0.752 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccsc3)CC2)c1-c1nn[n-]n1 ZINC000826344482 948008846 /nfs/dbraw/zinc/00/88/46/948008846.db2.gz JHEJGROZYYKFKP-UHFFFAOYSA-N -1 1 387.425 0.752 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573658632 948009043 /nfs/dbraw/zinc/00/90/43/948009043.db2.gz SOXOEXORKJKNPS-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCCN(Cc3cscn3)CC2)c1-c1nnn[n-]1 ZINC000826344803 948014011 /nfs/dbraw/zinc/01/40/11/948014011.db2.gz SGMSKAFVJOMSCU-UHFFFAOYSA-N -1 1 388.457 0.897 20 0 GCADMM Cc1onc(CC(=O)N2CCCN(Cc3cscn3)CC2)c1-c1nn[n-]n1 ZINC000826344803 948014017 /nfs/dbraw/zinc/01/40/17/948014017.db2.gz SGMSKAFVJOMSCU-UHFFFAOYSA-N -1 1 388.457 0.897 20 0 GCADMM C[C@@H](C(=O)N[C@@H](COC(N)=O)Cc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573660117 948020520 /nfs/dbraw/zinc/02/05/20/948020520.db2.gz ZABOJMKUQZKAIB-CMPLNLGQSA-N -1 1 385.388 0.256 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c1-c1nnn[n-]1 ZINC000826345430 948022661 /nfs/dbraw/zinc/02/26/61/948022661.db2.gz KSLJSRQYWVPHKM-YPMHNXCESA-N -1 1 388.384 0.650 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c1-c1nn[n-]n1 ZINC000826345430 948022670 /nfs/dbraw/zinc/02/26/70/948022670.db2.gz KSLJSRQYWVPHKM-YPMHNXCESA-N -1 1 388.384 0.650 20 0 GCADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573662420 948026638 /nfs/dbraw/zinc/02/66/38/948026638.db2.gz DRZKYZNINQGLCD-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573662420 948026648 /nfs/dbraw/zinc/02/66/48/948026648.db2.gz DRZKYZNINQGLCD-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccco2)c1-c1nnn[n-]1 ZINC000826345745 948028304 /nfs/dbraw/zinc/02/83/04/948028304.db2.gz SQKUCINATXEDPV-LLVKDONJSA-N -1 1 386.368 0.799 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccco2)c1-c1nn[n-]n1 ZINC000826345745 948028314 /nfs/dbraw/zinc/02/83/14/948028314.db2.gz SQKUCINATXEDPV-LLVKDONJSA-N -1 1 386.368 0.799 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826345840 948031321 /nfs/dbraw/zinc/03/13/21/948031321.db2.gz VSIOAFDZEFLRMK-AWEZNQCLSA-N -1 1 383.412 0.521 20 0 GCADMM Cc1onc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826345840 948031330 /nfs/dbraw/zinc/03/13/30/948031330.db2.gz VSIOAFDZEFLRMK-AWEZNQCLSA-N -1 1 383.412 0.521 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cncn1 ZINC001573663163 948031732 /nfs/dbraw/zinc/03/17/32/948031732.db2.gz JXLQNSUSVVAOSG-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cncn1 ZINC001573663163 948031738 /nfs/dbraw/zinc/03/17/38/948031738.db2.gz JXLQNSUSVVAOSG-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573663067 948032685 /nfs/dbraw/zinc/03/26/85/948032685.db2.gz IQNLQUIMSUXOKX-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573663067 948032696 /nfs/dbraw/zinc/03/26/96/948032696.db2.gz IQNLQUIMSUXOKX-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404820 948033155 /nfs/dbraw/zinc/03/31/55/948033155.db2.gz WRJOLRLVYFTWTD-NSHDSACASA-N -1 1 378.462 0.195 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573404839 948033637 /nfs/dbraw/zinc/03/36/37/948033637.db2.gz WVBTVWVGUGIVFD-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM Cc1onc(CC(=O)NC2CCN(C(=O)OC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826346338 948037305 /nfs/dbraw/zinc/03/73/05/948037305.db2.gz JYQIQCHNHYTSAU-UHFFFAOYSA-N -1 1 377.405 0.831 20 0 GCADMM Cc1onc(CC(=O)NC2CCN(C(=O)OC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826346338 948037311 /nfs/dbraw/zinc/03/73/11/948037311.db2.gz JYQIQCHNHYTSAU-UHFFFAOYSA-N -1 1 377.405 0.831 20 0 GCADMM C[C@H](C(=O)NC1(Cc2ccccc2)CCOCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573663515 948037506 /nfs/dbraw/zinc/03/75/06/948037506.db2.gz NJOUKHNILSNDOV-CYBMUJFWSA-N -1 1 382.428 0.927 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573405100 948037668 /nfs/dbraw/zinc/03/76/68/948037668.db2.gz XWQMOAYVZFFBMA-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573405100 948037676 /nfs/dbraw/zinc/03/76/76/948037676.db2.gz XWQMOAYVZFFBMA-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826346445 948040140 /nfs/dbraw/zinc/04/01/40/948040140.db2.gz MOCQQXXFMWSVPD-VIFPVBQESA-N -1 1 394.338 0.540 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826346445 948040148 /nfs/dbraw/zinc/04/01/48/948040148.db2.gz MOCQQXXFMWSVPD-VIFPVBQESA-N -1 1 394.338 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573663834 948042712 /nfs/dbraw/zinc/04/27/12/948042712.db2.gz ARVVSESOQPFPEO-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573663834 948042720 /nfs/dbraw/zinc/04/27/20/948042720.db2.gz ARVVSESOQPFPEO-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c1-c1nnn[n-]1 ZINC000826347709 948057464 /nfs/dbraw/zinc/05/74/64/948057464.db2.gz BANJJONQSFKSQZ-NSHDSACASA-N -1 1 398.427 0.642 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c1-c1nn[n-]n1 ZINC000826347709 948057471 /nfs/dbraw/zinc/05/74/71/948057471.db2.gz BANJJONQSFKSQZ-NSHDSACASA-N -1 1 398.427 0.642 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573406811 948058167 /nfs/dbraw/zinc/05/81/67/948058167.db2.gz VGWIBFHIRMTPKZ-CHWSQXEVSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573406811 948058181 /nfs/dbraw/zinc/05/81/81/948058181.db2.gz VGWIBFHIRMTPKZ-CHWSQXEVSA-N -1 1 387.448 0.283 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573665086 948068086 /nfs/dbraw/zinc/06/80/86/948068086.db2.gz IPUIZNFXUZVFDM-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573665086 948068098 /nfs/dbraw/zinc/06/80/98/948068098.db2.gz IPUIZNFXUZVFDM-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348239 948068317 /nfs/dbraw/zinc/06/83/17/948068317.db2.gz CJUXWWBOXKHMLG-LLVKDONJSA-N -1 1 395.379 0.550 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348239 948068324 /nfs/dbraw/zinc/06/83/24/948068324.db2.gz CJUXWWBOXKHMLG-LLVKDONJSA-N -1 1 395.379 0.550 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573665580 948075167 /nfs/dbraw/zinc/07/51/67/948075167.db2.gz MAWJBRCBOINJGH-HSBZDZAISA-N -1 1 381.444 0.981 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573666040 948080316 /nfs/dbraw/zinc/08/03/16/948080316.db2.gz PDUDLVUFVLBUJD-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573666040 948080327 /nfs/dbraw/zinc/08/03/27/948080327.db2.gz PDUDLVUFVLBUJD-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM CC(=O)N1CC(C(=O)N2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573414462 948093358 /nfs/dbraw/zinc/09/33/58/948093358.db2.gz MOZOJSJIUBEMMS-PRHODGIISA-N -1 1 390.473 0.511 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573667394 948099326 /nfs/dbraw/zinc/09/93/26/948099326.db2.gz ZELYPQNYIOCCQM-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573667394 948099332 /nfs/dbraw/zinc/09/93/32/948099332.db2.gz ZELYPQNYIOCCQM-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573667397 948100443 /nfs/dbraw/zinc/10/04/43/948100443.db2.gz ZELYPQNYIOCCQM-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573667397 948100452 /nfs/dbraw/zinc/10/04/52/948100452.db2.gz ZELYPQNYIOCCQM-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H](C)Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573418969 948119915 /nfs/dbraw/zinc/11/99/15/948119915.db2.gz IHQWSWDXXSQXJG-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H](C)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573418969 948119922 /nfs/dbraw/zinc/11/99/22/948119922.db2.gz IHQWSWDXXSQXJG-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@]2(C)CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573419500 948123860 /nfs/dbraw/zinc/12/38/60/948123860.db2.gz NBAKRKCGWQVTOC-MRXNPFEDSA-N -1 1 390.473 0.195 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573419629 948125231 /nfs/dbraw/zinc/12/52/31/948125231.db2.gz NWIUPYQYFKCHJR-BDAKNGLRSA-N -1 1 392.489 0.805 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573419630 948125762 /nfs/dbraw/zinc/12/57/62/948125762.db2.gz NWIUPYQYFKCHJR-DTWKUNHWSA-N -1 1 392.489 0.805 20 0 GCADMM CC(=O)N1CC(C(=O)NCCN(C)c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573424365 948149099 /nfs/dbraw/zinc/14/90/99/948149099.db2.gz YVOXHMDVBCTUOM-UHFFFAOYSA-N -1 1 384.853 0.007 20 0 GCADMM CC(=O)N1CC(C(=O)NCCN(C)c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573424365 948149104 /nfs/dbraw/zinc/14/91/04/948149104.db2.gz YVOXHMDVBCTUOM-UHFFFAOYSA-N -1 1 384.853 0.007 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573429414 948171757 /nfs/dbraw/zinc/17/17/57/948171757.db2.gz IRHZJMGYEPEMAX-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573429414 948171761 /nfs/dbraw/zinc/17/17/61/948171761.db2.gz IRHZJMGYEPEMAX-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573429726 948172485 /nfs/dbraw/zinc/17/24/85/948172485.db2.gz LNPHCEPHWNSNKW-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573429726 948172489 /nfs/dbraw/zinc/17/24/89/948172489.db2.gz LNPHCEPHWNSNKW-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573429697 948173034 /nfs/dbraw/zinc/17/30/34/948173034.db2.gz KUXPVRVPBOMIIW-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573429697 948173042 /nfs/dbraw/zinc/17/30/42/948173042.db2.gz KUXPVRVPBOMIIW-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573431599 948181031 /nfs/dbraw/zinc/18/10/31/948181031.db2.gz XPLZUVRSJBBRLJ-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573431599 948181036 /nfs/dbraw/zinc/18/10/36/948181036.db2.gz XPLZUVRSJBBRLJ-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573432081 948185222 /nfs/dbraw/zinc/18/52/22/948185222.db2.gz CUJUXFTXEWIERH-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573432081 948185229 /nfs/dbraw/zinc/18/52/29/948185229.db2.gz CUJUXFTXEWIERH-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cnn(C)c1 ZINC001573680803 948187418 /nfs/dbraw/zinc/18/74/18/948187418.db2.gz PYLKQALHXDKKQU-ZWNOBZJWSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573680803 948187427 /nfs/dbraw/zinc/18/74/27/948187427.db2.gz PYLKQALHXDKKQU-ZWNOBZJWSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573681222 948197464 /nfs/dbraw/zinc/19/74/64/948197464.db2.gz SXGXBASNJFVVHG-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573681222 948197468 /nfs/dbraw/zinc/19/74/68/948197468.db2.gz SXGXBASNJFVVHG-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573681219 948197498 /nfs/dbraw/zinc/19/74/98/948197498.db2.gz SXGXBASNJFVVHG-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573681219 948197501 /nfs/dbraw/zinc/19/75/01/948197501.db2.gz SXGXBASNJFVVHG-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cnn(C)c1 ZINC001573681400 948203405 /nfs/dbraw/zinc/20/34/05/948203405.db2.gz VGPJQYGUQHWINX-ZWNOBZJWSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cnn(C)c1 ZINC001573681400 948203413 /nfs/dbraw/zinc/20/34/13/948203413.db2.gz VGPJQYGUQHWINX-ZWNOBZJWSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573689900 948219159 /nfs/dbraw/zinc/21/91/59/948219159.db2.gz ADVZMNGYRWVWFU-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573689900 948219167 /nfs/dbraw/zinc/21/91/67/948219167.db2.gz ADVZMNGYRWVWFU-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573434712 948219448 /nfs/dbraw/zinc/21/94/48/948219448.db2.gz SKBKTHBGODTXDT-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434712 948219459 /nfs/dbraw/zinc/21/94/59/948219459.db2.gz SKBKTHBGODTXDT-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573689903 948220515 /nfs/dbraw/zinc/22/05/15/948220515.db2.gz ADVZMNGYRWVWFU-WDEREUQCSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573689903 948220523 /nfs/dbraw/zinc/22/05/23/948220523.db2.gz ADVZMNGYRWVWFU-WDEREUQCSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573434955 948221163 /nfs/dbraw/zinc/22/11/63/948221163.db2.gz TZPMIJPECQPMMA-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434955 948221174 /nfs/dbraw/zinc/22/11/74/948221174.db2.gz TZPMIJPECQPMMA-GTNSWQLSSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573435493 948229957 /nfs/dbraw/zinc/22/99/57/948229957.db2.gz XPVBGMYISSXIKD-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573435493 948229961 /nfs/dbraw/zinc/22/99/61/948229961.db2.gz XPVBGMYISSXIKD-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cccn1 ZINC001573691114 948236827 /nfs/dbraw/zinc/23/68/27/948236827.db2.gz DCJIDUYLDUSRNP-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cccn1 ZINC001573691114 948236836 /nfs/dbraw/zinc/23/68/36/948236836.db2.gz DCJIDUYLDUSRNP-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cncn1 ZINC001573691403 948240638 /nfs/dbraw/zinc/24/06/38/948240638.db2.gz GNHPANGNGYZOCA-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cncn1 ZINC001573691403 948240652 /nfs/dbraw/zinc/24/06/52/948240652.db2.gz GNHPANGNGYZOCA-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439018 948242848 /nfs/dbraw/zinc/24/28/48/948242848.db2.gz IBFZBQLDBISHEN-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439018 948242858 /nfs/dbraw/zinc/24/28/58/948242858.db2.gz IBFZBQLDBISHEN-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573691872 948249171 /nfs/dbraw/zinc/24/91/71/948249171.db2.gz JNJGNVFJEHXEGX-CHWSQXEVSA-N -1 1 386.460 0.735 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573439680 948250121 /nfs/dbraw/zinc/25/01/21/948250121.db2.gz OUFQVPPWFXUVTO-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573439680 948250131 /nfs/dbraw/zinc/25/01/31/948250131.db2.gz OUFQVPPWFXUVTO-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573439814 948253468 /nfs/dbraw/zinc/25/34/68/948253468.db2.gz SSNIQISLUPRYFB-LBPRGKRZSA-N -1 1 392.489 0.760 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573439797 948254100 /nfs/dbraw/zinc/25/41/00/948254100.db2.gz SIQMCGZCSHCIBD-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573439797 948254104 /nfs/dbraw/zinc/25/41/04/948254104.db2.gz SIQMCGZCSHCIBD-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM O=C(COC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[N-]C(=O)c1ccccc1 ZINC000826414800 948255298 /nfs/dbraw/zinc/25/52/98/948255298.db2.gz ILWQPKMJGYFBID-HNNXBMFYSA-N -1 1 381.348 0.400 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cncn1 ZINC001573692258 948257934 /nfs/dbraw/zinc/25/79/34/948257934.db2.gz NPCRFPUOSBPAES-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cncn1 ZINC001573692258 948257943 /nfs/dbraw/zinc/25/79/43/948257943.db2.gz NPCRFPUOSBPAES-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cccn1 ZINC001573692397 948263240 /nfs/dbraw/zinc/26/32/40/948263240.db2.gz PJOZSGVSZKTBOA-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cccn1 ZINC001573692397 948263248 /nfs/dbraw/zinc/26/32/48/948263248.db2.gz PJOZSGVSZKTBOA-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CCC1 ZINC001573692860 948273475 /nfs/dbraw/zinc/27/34/75/948273475.db2.gz QQZFJWUGUYQZSN-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CCC1 ZINC001573692860 948273480 /nfs/dbraw/zinc/27/34/80/948273480.db2.gz QQZFJWUGUYQZSN-KZULUSFZSA-N -1 1 386.460 0.804 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573441965 948281048 /nfs/dbraw/zinc/28/10/48/948281048.db2.gz DIQUVQAPJSRJIB-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573441965 948281057 /nfs/dbraw/zinc/28/10/57/948281057.db2.gz DIQUVQAPJSRJIB-DGCLKSJQSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001573693877 948290003 /nfs/dbraw/zinc/29/00/03/948290003.db2.gz UYELNETVZOPXAK-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001573693877 948290011 /nfs/dbraw/zinc/29/00/11/948290011.db2.gz UYELNETVZOPXAK-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCC[C@@H](n2cc(CNc3nc(C)cc(-c4nnn[n-]4)n3)nn2)C1 ZINC001573442650 948298774 /nfs/dbraw/zinc/29/87/74/948298774.db2.gz JMBIULZFZCENPS-CYBMUJFWSA-N -1 1 383.420 0.352 20 0 GCADMM CC(=O)N1CCC[C@@H](n2cc(CNc3nc(C)cc(-c4nn[n-]n4)n3)nn2)C1 ZINC001573442650 948298786 /nfs/dbraw/zinc/29/87/86/948298786.db2.gz JMBIULZFZCENPS-CYBMUJFWSA-N -1 1 383.420 0.352 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573694717 948298809 /nfs/dbraw/zinc/29/88/09/948298809.db2.gz DCUXOZDMAWATMZ-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573694717 948298817 /nfs/dbraw/zinc/29/88/17/948298817.db2.gz DCUXOZDMAWATMZ-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573443291 948305805 /nfs/dbraw/zinc/30/58/05/948305805.db2.gz MQJSBQXSIIXPAY-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573443291 948305814 /nfs/dbraw/zinc/30/58/14/948305814.db2.gz MQJSBQXSIIXPAY-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCC1 ZINC001573695608 948306632 /nfs/dbraw/zinc/30/66/32/948306632.db2.gz XXWLDFNNWSPHQG-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCC1 ZINC001573695608 948306636 /nfs/dbraw/zinc/30/66/36/948306636.db2.gz XXWLDFNNWSPHQG-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)n1cncn1 ZINC001573695658 948310176 /nfs/dbraw/zinc/31/01/76/948310176.db2.gz HWRRBAKIFPJONC-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)n1cncn1 ZINC001573695658 948310188 /nfs/dbraw/zinc/31/01/88/948310188.db2.gz HWRRBAKIFPJONC-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)n1cccn1 ZINC001573695806 948311884 /nfs/dbraw/zinc/31/18/84/948311884.db2.gz IVIOMWMWCYTWQF-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)n1cccn1 ZINC001573695806 948311893 /nfs/dbraw/zinc/31/18/93/948311893.db2.gz IVIOMWMWCYTWQF-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(F)(F)F ZINC001573696110 948315894 /nfs/dbraw/zinc/31/58/94/948315894.db2.gz LGDSRGOWLYPENN-MRVPVSSYSA-N -1 1 390.391 0.790 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573445031 948318924 /nfs/dbraw/zinc/31/89/24/948318924.db2.gz WZFRMCNYYVXHBU-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573445031 948318930 /nfs/dbraw/zinc/31/89/30/948318930.db2.gz WZFRMCNYYVXHBU-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573696211 948319406 /nfs/dbraw/zinc/31/94/06/948319406.db2.gz MCCMTTRXJLWPNU-PIGZYNQJSA-N -1 1 384.400 0.111 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573445100 948321374 /nfs/dbraw/zinc/32/13/74/948321374.db2.gz YFNGLGQXCPJJCP-LBPRGKRZSA-N -1 1 392.489 0.443 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573696746 948332807 /nfs/dbraw/zinc/33/28/07/948332807.db2.gz WRZHCLCCVODJEZ-GTNSWQLSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573696746 948332821 /nfs/dbraw/zinc/33/28/21/948332821.db2.gz WRZHCLCCVODJEZ-GTNSWQLSSA-N -1 1 384.400 0.111 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573446858 948336018 /nfs/dbraw/zinc/33/60/18/948336018.db2.gz PUROECJJKXTGKT-JOYOIKCWSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccc1 ZINC001573696884 948337080 /nfs/dbraw/zinc/33/70/80/948337080.db2.gz ZCYKYPZFICHVOL-XDQVBPFNSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001573696884 948337086 /nfs/dbraw/zinc/33/70/86/948337086.db2.gz ZCYKYPZFICHVOL-XDQVBPFNSA-N -1 1 379.428 0.518 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573447072 948341352 /nfs/dbraw/zinc/34/13/52/948341352.db2.gz TXPJIUYTWYJZGX-CHWSQXEVSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573447072 948341361 /nfs/dbraw/zinc/34/13/61/948341361.db2.gz TXPJIUYTWYJZGX-CHWSQXEVSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573702590 948346254 /nfs/dbraw/zinc/34/62/54/948346254.db2.gz FSJJOAUHMGMWLJ-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573702590 948346263 /nfs/dbraw/zinc/34/62/63/948346263.db2.gz FSJJOAUHMGMWLJ-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573703204 948353968 /nfs/dbraw/zinc/35/39/68/948353968.db2.gz IWBGCAGOSBMSNT-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573703204 948353974 /nfs/dbraw/zinc/35/39/74/948353974.db2.gz IWBGCAGOSBMSNT-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573703206 948354017 /nfs/dbraw/zinc/35/40/17/948354017.db2.gz IWBGCAGOSBMSNT-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573703206 948354023 /nfs/dbraw/zinc/35/40/23/948354023.db2.gz IWBGCAGOSBMSNT-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573704022 948364840 /nfs/dbraw/zinc/36/48/40/948364840.db2.gz OBTJUKZRDBZXTL-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573704022 948364846 /nfs/dbraw/zinc/36/48/46/948364846.db2.gz OBTJUKZRDBZXTL-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573704165 948366260 /nfs/dbraw/zinc/36/62/60/948366260.db2.gz PXOJKRUZGKETAS-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573704165 948366268 /nfs/dbraw/zinc/36/62/68/948366268.db2.gz PXOJKRUZGKETAS-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573704708 948379544 /nfs/dbraw/zinc/37/95/44/948379544.db2.gz CSYPKXWYFISCFB-IUODEOHRSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573704708 948379553 /nfs/dbraw/zinc/37/95/53/948379553.db2.gz CSYPKXWYFISCFB-IUODEOHRSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CCCC1 ZINC001573705349 948397499 /nfs/dbraw/zinc/39/74/99/948397499.db2.gz DWUPTNUDKWVPQJ-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CCCC1 ZINC001573705349 948397506 /nfs/dbraw/zinc/39/75/06/948397506.db2.gz DWUPTNUDKWVPQJ-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1CCC1 ZINC001573705912 948409235 /nfs/dbraw/zinc/40/92/35/948409235.db2.gz HJBYUGZONVPTCC-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1CCC1 ZINC001573705912 948409242 /nfs/dbraw/zinc/40/92/42/948409242.db2.gz HJBYUGZONVPTCC-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)n1cccc1 ZINC001573705948 948409741 /nfs/dbraw/zinc/40/97/41/948409741.db2.gz HSHNBVLHGCFIRC-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)n1cccc1 ZINC001573705948 948409746 /nfs/dbraw/zinc/40/97/46/948409746.db2.gz HSHNBVLHGCFIRC-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000826494974 948409784 /nfs/dbraw/zinc/40/97/84/948409784.db2.gz XPXSFPXJAWSEGA-CQSZACIVSA-N -1 1 386.437 0.894 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000826494974 948409790 /nfs/dbraw/zinc/40/97/90/948409790.db2.gz XPXSFPXJAWSEGA-CQSZACIVSA-N -1 1 386.437 0.894 20 0 GCADMM C[C@H](C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[n-]n2)n1 ZINC001573706014 948412193 /nfs/dbraw/zinc/41/21/93/948412193.db2.gz HZEXFPRZCMCXIP-OLZOCXBDSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573706163 948414193 /nfs/dbraw/zinc/41/41/93/948414193.db2.gz ZGVMGJSIRZOQCL-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573706163 948414198 /nfs/dbraw/zinc/41/41/98/948414198.db2.gz ZGVMGJSIRZOQCL-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(F)(F)F ZINC001573706620 948422762 /nfs/dbraw/zinc/42/27/62/948422762.db2.gz JRURCFVQZMYZQO-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(F)(F)F ZINC001573706620 948422767 /nfs/dbraw/zinc/42/27/67/948422767.db2.gz JRURCFVQZMYZQO-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573706877 948425728 /nfs/dbraw/zinc/42/57/28/948425728.db2.gz LKVQYJJIMOATPM-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573706877 948425733 /nfs/dbraw/zinc/42/57/33/948425733.db2.gz LKVQYJJIMOATPM-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001573707228 948429421 /nfs/dbraw/zinc/42/94/21/948429421.db2.gz OEGRFEPAWAIIGW-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001573707228 948429425 /nfs/dbraw/zinc/42/94/25/948429425.db2.gz OEGRFEPAWAIIGW-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573707424 948433625 /nfs/dbraw/zinc/43/36/25/948433625.db2.gz NRLGMCXBMGVZAT-VIFPVBQESA-N -1 1 384.366 0.975 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573707594 948436985 /nfs/dbraw/zinc/43/69/85/948436985.db2.gz OULJBSPSFARIEC-ZJUUUORDSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573707592 948437066 /nfs/dbraw/zinc/43/70/66/948437066.db2.gz OULJBSPSFARIEC-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C1CCC1 ZINC001573707873 948438941 /nfs/dbraw/zinc/43/89/41/948438941.db2.gz QGJWKKGHHLMMFL-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C1CCC1 ZINC001573707873 948438950 /nfs/dbraw/zinc/43/89/50/948438950.db2.gz QGJWKKGHHLMMFL-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573707898 948441413 /nfs/dbraw/zinc/44/14/13/948441413.db2.gz QHWDVDMTTADPLQ-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573707898 948441419 /nfs/dbraw/zinc/44/14/19/948441419.db2.gz QHWDVDMTTADPLQ-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(C)(F)F ZINC001573708855 948459716 /nfs/dbraw/zinc/45/97/16/948459716.db2.gz XXCDVDLWKHQGRP-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(C)(F)F ZINC001573708855 948459725 /nfs/dbraw/zinc/45/97/25/948459725.db2.gz XXCDVDLWKHQGRP-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1)N(C)CC(F)(F)F ZINC001573713644 948465129 /nfs/dbraw/zinc/46/51/29/948465129.db2.gz ATMPMQMCLBHQBX-VIFPVBQESA-N -1 1 387.370 0.458 20 0 GCADMM C[C@@H](C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573713644 948465132 /nfs/dbraw/zinc/46/51/32/948465132.db2.gz ATMPMQMCLBHQBX-VIFPVBQESA-N -1 1 387.370 0.458 20 0 GCADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573714098 948469383 /nfs/dbraw/zinc/46/93/83/948469383.db2.gz DLXDMGFVINDLJN-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573714098 948469389 /nfs/dbraw/zinc/46/93/89/948469389.db2.gz DLXDMGFVINDLJN-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573714509 948473350 /nfs/dbraw/zinc/47/33/50/948473350.db2.gz HKJTUEYBJNRYEY-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573715421 948489474 /nfs/dbraw/zinc/48/94/74/948489474.db2.gz VWPWSUUMJIHIRB-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573715421 948489483 /nfs/dbraw/zinc/48/94/83/948489483.db2.gz VWPWSUUMJIHIRB-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cnn(C)c1 ZINC001573718093 948513833 /nfs/dbraw/zinc/51/38/33/948513833.db2.gz HRDRKEVZKGGVHF-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cnn(C)c1 ZINC001573718093 948513838 /nfs/dbraw/zinc/51/38/38/948513838.db2.gz HRDRKEVZKGGVHF-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)n1cncn1 ZINC001573718747 948519809 /nfs/dbraw/zinc/51/98/09/948519809.db2.gz KCHWLIGENRQODM-ZETCQYMHSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)n1cncn1 ZINC001573718747 948519812 /nfs/dbraw/zinc/51/98/12/948519812.db2.gz KCHWLIGENRQODM-ZETCQYMHSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(C)C ZINC001573721590 948541002 /nfs/dbraw/zinc/54/10/02/948541002.db2.gz YVZWLBYLTWCZIJ-ZDUSSCGKSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)n1cccn1 ZINC001573721583 948542211 /nfs/dbraw/zinc/54/22/11/948542211.db2.gz YSYRRQOWAXOIKQ-MRVPVSSYSA-N -1 1 381.853 0.987 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)n1cccn1 ZINC001573721583 948542218 /nfs/dbraw/zinc/54/22/18/948542218.db2.gz YSYRRQOWAXOIKQ-MRVPVSSYSA-N -1 1 381.853 0.987 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573725567 948543865 /nfs/dbraw/zinc/54/38/65/948543865.db2.gz BDTMQXTTZWTQBA-GMXVVIOVSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573725567 948543879 /nfs/dbraw/zinc/54/38/79/948543879.db2.gz BDTMQXTTZWTQBA-GMXVVIOVSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)n1cccc1 ZINC001573726266 948547231 /nfs/dbraw/zinc/54/72/31/948547231.db2.gz HLKAPJZRODMOJG-HZSPNIEDSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)n1cccc1 ZINC001573726266 948547233 /nfs/dbraw/zinc/54/72/33/948547233.db2.gz HLKAPJZRODMOJG-HZSPNIEDSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccn1 ZINC001573726284 948549720 /nfs/dbraw/zinc/54/97/20/948549720.db2.gz HUMCUSFRZKYDBX-FRRDWIJNSA-N -1 1 382.432 0.303 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccn1 ZINC001573726284 948549723 /nfs/dbraw/zinc/54/97/23/948549723.db2.gz HUMCUSFRZKYDBX-FRRDWIJNSA-N -1 1 382.432 0.303 20 0 GCADMM C[C@@H](C(=O)NCc1ccc(OCC(F)(F)F)nn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573727728 948555630 /nfs/dbraw/zinc/55/56/30/948555630.db2.gz BSZZNWTWTDJPPI-ZETCQYMHSA-N -1 1 398.309 0.067 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573729065 948565494 /nfs/dbraw/zinc/56/54/94/948565494.db2.gz FVTMUPBBZXOKDF-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573729065 948565500 /nfs/dbraw/zinc/56/55/00/948565500.db2.gz FVTMUPBBZXOKDF-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573729506 948570077 /nfs/dbraw/zinc/57/00/77/948570077.db2.gz UIHKDGBLFVTUQT-SDDRHHMPSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573729506 948570081 /nfs/dbraw/zinc/57/00/81/948570081.db2.gz UIHKDGBLFVTUQT-SDDRHHMPSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001573731745 948594990 /nfs/dbraw/zinc/59/49/90/948594990.db2.gz YGRGKMDVXDNWGO-LPEHRKFASA-N -1 1 389.441 0.503 20 0 GCADMM C[C@@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001573731745 948594996 /nfs/dbraw/zinc/59/49/96/948594996.db2.gz YGRGKMDVXDNWGO-LPEHRKFASA-N -1 1 389.441 0.503 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573732837 948609828 /nfs/dbraw/zinc/60/98/28/948609828.db2.gz ZEUFJISNJHWKFF-IUCAKERBSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573732837 948609831 /nfs/dbraw/zinc/60/98/31/948609831.db2.gz ZEUFJISNJHWKFF-IUCAKERBSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573736068 948610924 /nfs/dbraw/zinc/61/09/24/948610924.db2.gz FRFQEAFPOMHVDE-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573736068 948610929 /nfs/dbraw/zinc/61/09/29/948610929.db2.gz FRFQEAFPOMHVDE-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573736249 948614032 /nfs/dbraw/zinc/61/40/32/948614032.db2.gz KUCQFKBTMDAGDA-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573736249 948614038 /nfs/dbraw/zinc/61/40/38/948614038.db2.gz KUCQFKBTMDAGDA-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1ccsc1 ZINC001573740625 948639628 /nfs/dbraw/zinc/63/96/28/948639628.db2.gz RDKZJGLHGHRYCC-YUSALJHKSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1ccsc1 ZINC001573740625 948639631 /nfs/dbraw/zinc/63/96/31/948639631.db2.gz RDKZJGLHGHRYCC-YUSALJHKSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccs1 ZINC001573740844 948642914 /nfs/dbraw/zinc/64/29/14/948642914.db2.gz PKFFDYUFTVFGSU-WCQGTBRESA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccs1 ZINC001573740844 948642917 /nfs/dbraw/zinc/64/29/17/948642917.db2.gz PKFFDYUFTVFGSU-WCQGTBRESA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1cccs1 ZINC001573741147 948651300 /nfs/dbraw/zinc/65/13/00/948651300.db2.gz TVBJNDXTTAYJLX-YUSALJHKSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1cccs1 ZINC001573741147 948651308 /nfs/dbraw/zinc/65/13/08/948651308.db2.gz TVBJNDXTTAYJLX-YUSALJHKSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001573741971 948657142 /nfs/dbraw/zinc/65/71/42/948657142.db2.gz HAOWUSJVHKBGJK-MXWKQRLJSA-N -1 1 391.436 0.533 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1cccnc1 ZINC001573746873 948686776 /nfs/dbraw/zinc/68/67/76/948686776.db2.gz QBGWYBWQXILHAN-BZPMIXESSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1cccnc1 ZINC001573746873 948686784 /nfs/dbraw/zinc/68/67/84/948686784.db2.gz QBGWYBWQXILHAN-BZPMIXESSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573753890 948723046 /nfs/dbraw/zinc/72/30/46/948723046.db2.gz YADFNRDHBFAOPO-XFMPKHEZSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573753890 948723051 /nfs/dbraw/zinc/72/30/51/948723051.db2.gz YADFNRDHBFAOPO-XFMPKHEZSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574678395 948749667 /nfs/dbraw/zinc/74/96/67/948749667.db2.gz FJQVEQHMCYGXKF-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574678395 948749676 /nfs/dbraw/zinc/74/96/76/948749676.db2.gz FJQVEQHMCYGXKF-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccnc1N(C)C ZINC001574678548 948752093 /nfs/dbraw/zinc/75/20/93/948752093.db2.gz GXZISQMASLAFMT-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccnc1N(C)C ZINC001574678548 948752098 /nfs/dbraw/zinc/75/20/98/948752098.db2.gz GXZISQMASLAFMT-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574678515 948753359 /nfs/dbraw/zinc/75/33/59/948753359.db2.gz GNUYQQHKUDWTDA-ZETCQYMHSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574678515 948753371 /nfs/dbraw/zinc/75/33/71/948753371.db2.gz GNUYQQHKUDWTDA-ZETCQYMHSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C2CC2)nn1C ZINC001574678543 948753632 /nfs/dbraw/zinc/75/36/32/948753632.db2.gz GWHQHHYYIKXMBF-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C2CC2)nn1C ZINC001574678543 948753645 /nfs/dbraw/zinc/75/36/45/948753645.db2.gz GWHQHHYYIKXMBF-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)Oc1ccccn1 ZINC001574678702 948756750 /nfs/dbraw/zinc/75/67/50/948756750.db2.gz IDOBMOINQGRTRS-VXGBXAGGSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Oc1ccccn1 ZINC001574678702 948756764 /nfs/dbraw/zinc/75/67/64/948756764.db2.gz IDOBMOINQGRTRS-VXGBXAGGSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574678696 948757343 /nfs/dbraw/zinc/75/73/43/948757343.db2.gz IDOBMOINQGRTRS-NEPJUHHUSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574678696 948757351 /nfs/dbraw/zinc/75/73/51/948757351.db2.gz IDOBMOINQGRTRS-NEPJUHHUSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC[C@@H]1CCCO1 ZINC001574678798 948758460 /nfs/dbraw/zinc/75/84/60/948758460.db2.gz IYVFAWBBKXEHTI-NEPJUHHUSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC[C@@H]1CCCO1 ZINC001574678798 948758466 /nfs/dbraw/zinc/75/84/66/948758466.db2.gz IYVFAWBBKXEHTI-NEPJUHHUSA-N -1 1 376.421 0.159 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574416710 948758597 /nfs/dbraw/zinc/75/85/97/948758597.db2.gz DZWQOFXUXRUQRT-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574416710 948758602 /nfs/dbraw/zinc/75/86/02/948758602.db2.gz DZWQOFXUXRUQRT-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574416711 948760317 /nfs/dbraw/zinc/76/03/17/948760317.db2.gz DZWQOFXUXRUQRT-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574416711 948760327 /nfs/dbraw/zinc/76/03/27/948760327.db2.gz DZWQOFXUXRUQRT-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574416727 948760434 /nfs/dbraw/zinc/76/04/34/948760434.db2.gz FMIDMCXQEDFEFJ-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574416727 948760445 /nfs/dbraw/zinc/76/04/45/948760445.db2.gz FMIDMCXQEDFEFJ-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccn(CC(F)F)n1 ZINC001574678881 948762022 /nfs/dbraw/zinc/76/20/22/948762022.db2.gz KTTDMYCEOGNXSD-VIFPVBQESA-N -1 1 392.374 0.739 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccn(CC(F)F)n1 ZINC001574678881 948762029 /nfs/dbraw/zinc/76/20/29/948762029.db2.gz KTTDMYCEOGNXSD-VIFPVBQESA-N -1 1 392.374 0.739 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574915132 948762338 /nfs/dbraw/zinc/76/23/38/948762338.db2.gz RHEFWLRELARVTJ-LLVKDONJSA-N -1 1 383.416 0.331 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574915132 948762347 /nfs/dbraw/zinc/76/23/47/948762347.db2.gz RHEFWLRELARVTJ-LLVKDONJSA-N -1 1 383.416 0.331 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574417051 948763552 /nfs/dbraw/zinc/76/35/52/948763552.db2.gz KFMAKIOCANJUAJ-CQSZACIVSA-N -1 1 382.428 0.405 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575223318 948764588 /nfs/dbraw/zinc/76/45/88/948764588.db2.gz NUQBRAHUYLKFGK-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575223318 948764596 /nfs/dbraw/zinc/76/45/96/948764596.db2.gz NUQBRAHUYLKFGK-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574915422 948765187 /nfs/dbraw/zinc/76/51/87/948765187.db2.gz TUOANYZIHGYOCL-NSHDSACASA-N -1 1 383.416 0.554 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574915422 948765207 /nfs/dbraw/zinc/76/52/07/948765207.db2.gz TUOANYZIHGYOCL-NSHDSACASA-N -1 1 383.416 0.554 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C(F)F)c1 ZINC001574679137 948766841 /nfs/dbraw/zinc/76/68/41/948766841.db2.gz OORQACVMHZFYPZ-QMMMGPOBSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C(F)F)c1 ZINC001574679137 948766849 /nfs/dbraw/zinc/76/68/49/948766849.db2.gz OORQACVMHZFYPZ-QMMMGPOBSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574679128 948767161 /nfs/dbraw/zinc/76/71/61/948767161.db2.gz OJGKYVFEMPVOLU-JUFZMCDQSA-N -1 1 388.432 0.015 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574679128 948767168 /nfs/dbraw/zinc/76/71/68/948767168.db2.gz OJGKYVFEMPVOLU-JUFZMCDQSA-N -1 1 388.432 0.015 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)c1 ZINC001574417420 948767354 /nfs/dbraw/zinc/76/73/54/948767354.db2.gz MYCRWWPCUSEHHJ-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)c1 ZINC001574417420 948767362 /nfs/dbraw/zinc/76/73/62/948767362.db2.gz MYCRWWPCUSEHHJ-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574679197 948769720 /nfs/dbraw/zinc/76/97/20/948769720.db2.gz PXQMTUAIFQBGKE-SNVBAGLBSA-N -1 1 382.432 0.879 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574418460 948776460 /nfs/dbraw/zinc/77/64/60/948776460.db2.gz WBXSUBYXPNHGIY-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574418460 948776478 /nfs/dbraw/zinc/77/64/78/948776478.db2.gz WBXSUBYXPNHGIY-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574679358 948778360 /nfs/dbraw/zinc/77/83/60/948778360.db2.gz UCHLLENTBHZVGN-JTQLQIEISA-N -1 1 383.420 0.594 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574679358 948778368 /nfs/dbraw/zinc/77/83/68/948778368.db2.gz UCHLLENTBHZVGN-JTQLQIEISA-N -1 1 383.420 0.594 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574419317 948779069 /nfs/dbraw/zinc/77/90/69/948779069.db2.gz BECMYVUTRFRNAX-GFCCVEGCSA-N -1 1 382.428 0.405 20 0 GCADMM CC(F)(F)CC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575224293 948780914 /nfs/dbraw/zinc/78/09/14/948780914.db2.gz LOQCKJJBPSLCFU-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575224293 948780920 /nfs/dbraw/zinc/78/09/20/948780920.db2.gz LOQCKJJBPSLCFU-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001573755817 948781338 /nfs/dbraw/zinc/78/13/38/948781338.db2.gz IWPVKSMBQABRNF-VIFPVBQESA-N -1 1 390.429 0.582 20 0 GCADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001573755817 948781350 /nfs/dbraw/zinc/78/13/50/948781350.db2.gz IWPVKSMBQABRNF-VIFPVBQESA-N -1 1 390.429 0.582 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679573 948788581 /nfs/dbraw/zinc/78/85/81/948788581.db2.gz YDXYQRPGHDXIGH-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679573 948788586 /nfs/dbraw/zinc/78/85/86/948788586.db2.gz YDXYQRPGHDXIGH-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575224783 948795978 /nfs/dbraw/zinc/79/59/78/948795978.db2.gz RKZFDWJDNDBHEN-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575224783 948795989 /nfs/dbraw/zinc/79/59/89/948795989.db2.gz RKZFDWJDNDBHEN-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM C[C@@H](C(=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756069 948797609 /nfs/dbraw/zinc/79/76/09/948797609.db2.gz LTWPINBSIBPCPM-VIFPVBQESA-N -1 1 395.383 0.178 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C)nc1C(F)F ZINC001574679918 948797721 /nfs/dbraw/zinc/79/77/21/948797721.db2.gz BSUZYNVUMFLVDO-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C)nc1C(F)F ZINC001574679918 948797744 /nfs/dbraw/zinc/79/77/44/948797744.db2.gz BSUZYNVUMFLVDO-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574420493 948798111 /nfs/dbraw/zinc/79/81/11/948798111.db2.gz VJVPMAPTEYGKHW-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574420493 948798123 /nfs/dbraw/zinc/79/81/23/948798123.db2.gz VJVPMAPTEYGKHW-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575225001 948798636 /nfs/dbraw/zinc/79/86/36/948798636.db2.gz VMTMALIEOYRUGZ-UHFFFAOYSA-N -1 1 378.387 0.963 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574680490 948805927 /nfs/dbraw/zinc/80/59/27/948805927.db2.gz HLYDHELVXSAMMD-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574680490 948805943 /nfs/dbraw/zinc/80/59/43/948805943.db2.gz HLYDHELVXSAMMD-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574420813 948807590 /nfs/dbraw/zinc/80/75/90/948807590.db2.gz ASVJCIVKZUTHDE-NSHDSACASA-N -1 1 386.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cccnc1 ZINC001573756381 948809649 /nfs/dbraw/zinc/80/96/49/948809649.db2.gz PRJGJQHJMIVTFN-KBNOKHGBSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cccnc1 ZINC001573756381 948809669 /nfs/dbraw/zinc/80/96/69/948809669.db2.gz PRJGJQHJMIVTFN-KBNOKHGBSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574681346 948816627 /nfs/dbraw/zinc/81/66/27/948816627.db2.gz LTAFEODTENFQFN-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574681346 948816643 /nfs/dbraw/zinc/81/66/43/948816643.db2.gz LTAFEODTENFQFN-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575227374 948829770 /nfs/dbraw/zinc/82/97/70/948829770.db2.gz VLGQJXLQPHGNLB-MGCOHNPYSA-N -1 1 378.387 0.821 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574682837 948830530 /nfs/dbraw/zinc/83/05/30/948830530.db2.gz RRYGIVVVRDZPCA-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574682837 948830543 /nfs/dbraw/zinc/83/05/43/948830543.db2.gz RRYGIVVVRDZPCA-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574683049 948835888 /nfs/dbraw/zinc/83/58/88/948835888.db2.gz SNDXSEOBDRTESP-SNVBAGLBSA-N -1 1 383.420 0.594 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574683049 948835906 /nfs/dbraw/zinc/83/59/06/948835906.db2.gz SNDXSEOBDRTESP-SNVBAGLBSA-N -1 1 383.420 0.594 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001575229152 948836446 /nfs/dbraw/zinc/83/64/46/948836446.db2.gz CUIDJFAGXSQNEU-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001575229152 948836461 /nfs/dbraw/zinc/83/64/61/948836461.db2.gz CUIDJFAGXSQNEU-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574683101 948842554 /nfs/dbraw/zinc/84/25/54/948842554.db2.gz UNBYHABUIUNYKM-OXJKWZBOSA-N -1 1 388.432 0.015 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574683101 948842572 /nfs/dbraw/zinc/84/25/72/948842572.db2.gz UNBYHABUIUNYKM-OXJKWZBOSA-N -1 1 388.432 0.015 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574683366 948849921 /nfs/dbraw/zinc/84/99/21/948849921.db2.gz YLGLGBCEUNWVSZ-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574683366 948849937 /nfs/dbraw/zinc/84/99/37/948849937.db2.gz YLGLGBCEUNWVSZ-NEPJUHHUSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574683368 948850385 /nfs/dbraw/zinc/85/03/85/948850385.db2.gz YLGLGBCEUNWVSZ-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574683368 948850405 /nfs/dbraw/zinc/85/04/05/948850405.db2.gz YLGLGBCEUNWVSZ-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1cccnc1 ZINC001574683400 948851062 /nfs/dbraw/zinc/85/10/62/948851062.db2.gz ZPANRHCMYZKEGF-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1cccnc1 ZINC001574683400 948851082 /nfs/dbraw/zinc/85/10/82/948851082.db2.gz ZPANRHCMYZKEGF-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM CC(C)(C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573762718 948861649 /nfs/dbraw/zinc/86/16/49/948861649.db2.gz ZJPGPCBOPJNAJD-VIFPVBQESA-N -1 1 384.366 0.928 20 0 GCADMM CC(F)(F)CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575231902 948869584 /nfs/dbraw/zinc/86/95/84/948869584.db2.gz AHQNBTVNDZCGJF-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575231902 948869603 /nfs/dbraw/zinc/86/96/03/948869603.db2.gz AHQNBTVNDZCGJF-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575232509 948873082 /nfs/dbraw/zinc/87/30/82/948873082.db2.gz DKZKAYCWEGLIFC-YFKPBYRVSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575232509 948873099 /nfs/dbraw/zinc/87/30/99/948873099.db2.gz DKZKAYCWEGLIFC-YFKPBYRVSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234449 948901473 /nfs/dbraw/zinc/90/14/73/948901473.db2.gz CVOODJBOEHCWKX-SNVBAGLBSA-N -1 1 382.375 0.153 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575234443 948903052 /nfs/dbraw/zinc/90/30/52/948903052.db2.gz CTWMPAZSCKIXRX-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575234443 948903063 /nfs/dbraw/zinc/90/30/63/948903063.db2.gz CTWMPAZSCKIXRX-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(C)(C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573765553 948911945 /nfs/dbraw/zinc/91/19/45/948911945.db2.gz NKWAYJZQGFGKQD-SECBINFHSA-N -1 1 382.375 0.587 20 0 GCADMM CC(C)(C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573765553 948911953 /nfs/dbraw/zinc/91/19/53/948911953.db2.gz NKWAYJZQGFGKQD-SECBINFHSA-N -1 1 382.375 0.587 20 0 GCADMM CC(C)(C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573765487 948912635 /nfs/dbraw/zinc/91/26/35/948912635.db2.gz KGFVASOWCUMVMT-CYBMUJFWSA-N -1 1 386.460 0.544 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088275 948916535 /nfs/dbraw/zinc/91/65/35/948916535.db2.gz AHPIHTHAYGIVDQ-CHWSQXEVSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088275 948916543 /nfs/dbraw/zinc/91/65/43/948916543.db2.gz AHPIHTHAYGIVDQ-CHWSQXEVSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)(C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573765676 948921223 /nfs/dbraw/zinc/92/12/23/948921223.db2.gz WZXXDYCDKSAWNS-VIFPVBQESA-N -1 1 382.375 0.587 20 0 GCADMM CC(C)(C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573765676 948921242 /nfs/dbraw/zinc/92/12/42/948921242.db2.gz WZXXDYCDKSAWNS-VIFPVBQESA-N -1 1 382.375 0.587 20 0 GCADMM C[C@@H](CNC(=O)CCn1cncn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574923052 948930381 /nfs/dbraw/zinc/93/03/81/948930381.db2.gz BYIQITRQKBASMS-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@H](CNC(=O)CCn1cncn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574923051 948931577 /nfs/dbraw/zinc/93/15/77/948931577.db2.gz BYIQITRQKBASMS-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)c1ncncc1C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574432471 948935553 /nfs/dbraw/zinc/93/55/53/948935553.db2.gz KHTKWFBSIVHNFZ-UHFFFAOYSA-N -1 1 382.432 0.779 20 0 GCADMM CC(C)c1ncncc1C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574432471 948935558 /nfs/dbraw/zinc/93/55/58/948935558.db2.gz KHTKWFBSIVHNFZ-UHFFFAOYSA-N -1 1 382.432 0.779 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574432741 948937831 /nfs/dbraw/zinc/93/78/31/948937831.db2.gz CQZXNUFPNXTCSF-LLVKDONJSA-N -1 1 382.432 0.262 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574923320 948947071 /nfs/dbraw/zinc/94/70/71/948947071.db2.gz JLKWMLBLVZMSEA-SNVBAGLBSA-N -1 1 390.839 0.761 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574923320 948947077 /nfs/dbraw/zinc/94/70/77/948947077.db2.gz JLKWMLBLVZMSEA-SNVBAGLBSA-N -1 1 390.839 0.761 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001575237893 948947701 /nfs/dbraw/zinc/94/77/01/948947701.db2.gz ISZOESSWDDSDDN-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001575237893 948947710 /nfs/dbraw/zinc/94/77/10/948947710.db2.gz ISZOESSWDDSDDN-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM C[C@H](CNC(=O)CCn1cncn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574923654 948956913 /nfs/dbraw/zinc/95/69/13/948956913.db2.gz QOVFERGUVDENJQ-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@H](CNC(=O)CCn1cncn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574923654 948956925 /nfs/dbraw/zinc/95/69/25/948956925.db2.gz QOVFERGUVDENJQ-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@@H](CNC(=O)CCn1cncn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574923655 948957288 /nfs/dbraw/zinc/95/72/88/948957288.db2.gz QOVFERGUVDENJQ-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM C[C@@H](CNC(=O)CCn1cncn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574923655 948957298 /nfs/dbraw/zinc/95/72/98/948957298.db2.gz QOVFERGUVDENJQ-ZETCQYMHSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574089495 948957387 /nfs/dbraw/zinc/95/73/87/948957387.db2.gz HXCTUKFVTRLURA-KBPBESRZSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574089495 948957395 /nfs/dbraw/zinc/95/73/95/948957395.db2.gz HXCTUKFVTRLURA-KBPBESRZSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574433764 948964658 /nfs/dbraw/zinc/96/46/58/948964658.db2.gz PPWJZHCBDJXJCN-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574433764 948964668 /nfs/dbraw/zinc/96/46/68/948964668.db2.gz PPWJZHCBDJXJCN-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574433826 948966679 /nfs/dbraw/zinc/96/66/79/948966679.db2.gz RRUVNVXTVOAGEC-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574433826 948966686 /nfs/dbraw/zinc/96/66/86/948966686.db2.gz RRUVNVXTVOAGEC-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001575239899 948967156 /nfs/dbraw/zinc/96/71/56/948967156.db2.gz XUSAWYNFMYHGBJ-RTCCRHLQSA-N -1 1 378.387 0.891 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001575239899 948967172 /nfs/dbraw/zinc/96/71/72/948967172.db2.gz XUSAWYNFMYHGBJ-RTCCRHLQSA-N -1 1 378.387 0.891 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433888 948967604 /nfs/dbraw/zinc/96/76/04/948967604.db2.gz UUZTXQLAISHGDO-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433888 948967617 /nfs/dbraw/zinc/96/76/17/948967617.db2.gz UUZTXQLAISHGDO-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574924127 948967651 /nfs/dbraw/zinc/96/76/51/948967651.db2.gz WQXAMPKRLLSIDY-LBPRGKRZSA-N -1 1 383.416 0.073 20 0 GCADMM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574924127 948967661 /nfs/dbraw/zinc/96/76/61/948967661.db2.gz WQXAMPKRLLSIDY-LBPRGKRZSA-N -1 1 383.416 0.073 20 0 GCADMM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574924126 948967742 /nfs/dbraw/zinc/96/77/42/948967742.db2.gz WQXAMPKRLLSIDY-GFCCVEGCSA-N -1 1 383.416 0.073 20 0 GCADMM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574924126 948967756 /nfs/dbraw/zinc/96/77/56/948967756.db2.gz WQXAMPKRLLSIDY-GFCCVEGCSA-N -1 1 383.416 0.073 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574434160 948978063 /nfs/dbraw/zinc/97/80/63/948978063.db2.gz YDRHGOADWGKXRS-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574434160 948978076 /nfs/dbraw/zinc/97/80/76/948978076.db2.gz YDRHGOADWGKXRS-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926167 948986027 /nfs/dbraw/zinc/98/60/27/948986027.db2.gz JSFABMVQKIDSNU-ZDUSSCGKSA-N -1 1 381.444 0.734 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926167 948986038 /nfs/dbraw/zinc/98/60/38/948986038.db2.gz JSFABMVQKIDSNU-ZDUSSCGKSA-N -1 1 381.444 0.734 20 0 GCADMM CC(C)c1nnc(N2CCS(=O)CC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435442 948995446 /nfs/dbraw/zinc/99/54/46/948995446.db2.gz VGQJFYPNKVMWKU-UHFFFAOYSA-N -1 1 376.446 0.792 20 0 GCADMM CC(C)c1nnc(N2CCS(=O)CC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435442 948995455 /nfs/dbraw/zinc/99/54/55/948995455.db2.gz VGQJFYPNKVMWKU-UHFFFAOYSA-N -1 1 376.446 0.792 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574926435 949002352 /nfs/dbraw/zinc/00/23/52/949002352.db2.gz QHDNHKRCHUVPPI-ZDUSSCGKSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574926435 949002371 /nfs/dbraw/zinc/00/23/71/949002371.db2.gz QHDNHKRCHUVPPI-ZDUSSCGKSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574690372 949003190 /nfs/dbraw/zinc/00/31/90/949003190.db2.gz OKNHGSWOTKYZKN-VXGBXAGGSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574690372 949003210 /nfs/dbraw/zinc/00/32/10/949003210.db2.gz OKNHGSWOTKYZKN-VXGBXAGGSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1nccnc1-c1nnn[n-]1 ZINC001574926485 949003862 /nfs/dbraw/zinc/00/38/62/949003862.db2.gz SCBZUJQGROTJLI-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1nccnc1-c1nn[n-]n1 ZINC001574926485 949003875 /nfs/dbraw/zinc/00/38/75/949003875.db2.gz SCBZUJQGROTJLI-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573774315 949007991 /nfs/dbraw/zinc/00/79/91/949007991.db2.gz MLRXFGYJXHKGBN-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573774315 949008008 /nfs/dbraw/zinc/00/80/08/949008008.db2.gz MLRXFGYJXHKGBN-CYBMUJFWSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCO1 ZINC001573774664 949019536 /nfs/dbraw/zinc/01/95/36/949019536.db2.gz PZFWDYNPHRALJR-YPMHNXCESA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCO1 ZINC001573774664 949019552 /nfs/dbraw/zinc/01/95/52/949019552.db2.gz PZFWDYNPHRALJR-YPMHNXCESA-N -1 1 390.448 0.141 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574926752 949021949 /nfs/dbraw/zinc/02/19/49/949021949.db2.gz WUUBXTKGRQHKCI-CYBMUJFWSA-N -1 1 381.444 0.957 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574440153 949022013 /nfs/dbraw/zinc/02/20/13/949022013.db2.gz OZWRRISPTZPWMN-SECBINFHSA-N -1 1 388.461 0.886 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574440153 949022035 /nfs/dbraw/zinc/02/20/35/949022035.db2.gz OZWRRISPTZPWMN-SECBINFHSA-N -1 1 388.461 0.886 20 0 GCADMM C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574926752 949021969 /nfs/dbraw/zinc/02/19/69/949021969.db2.gz WUUBXTKGRQHKCI-CYBMUJFWSA-N -1 1 381.444 0.957 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574440154 949023134 /nfs/dbraw/zinc/02/31/34/949023134.db2.gz OZWRRISPTZPWMN-VIFPVBQESA-N -1 1 388.461 0.886 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574440154 949023155 /nfs/dbraw/zinc/02/31/55/949023155.db2.gz OZWRRISPTZPWMN-VIFPVBQESA-N -1 1 388.461 0.886 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574440142 949025798 /nfs/dbraw/zinc/02/57/98/949025798.db2.gz OROXMJADZIIDED-UHFFFAOYSA-N -1 1 386.420 0.666 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574440142 949025819 /nfs/dbraw/zinc/02/58/19/949025819.db2.gz OROXMJADZIIDED-UHFFFAOYSA-N -1 1 386.420 0.666 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574091798 949029220 /nfs/dbraw/zinc/02/92/20/949029220.db2.gz PAZMIRUQZLVXSK-OLZOCXBDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574091798 949029240 /nfs/dbraw/zinc/02/92/40/949029240.db2.gz PAZMIRUQZLVXSK-OLZOCXBDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574091796 949030084 /nfs/dbraw/zinc/03/00/84/949030084.db2.gz PAZMIRUQZLVXSK-CHWSQXEVSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574091796 949030103 /nfs/dbraw/zinc/03/01/03/949030103.db2.gz PAZMIRUQZLVXSK-CHWSQXEVSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575246527 949033053 /nfs/dbraw/zinc/03/30/53/949033053.db2.gz GVVPZLVUFZACNY-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575246527 949033072 /nfs/dbraw/zinc/03/30/72/949033072.db2.gz GVVPZLVUFZACNY-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574440599 949034875 /nfs/dbraw/zinc/03/48/75/949034875.db2.gz UJMCRDAFPRIAIQ-DTORHVGOSA-N -1 1 386.445 0.426 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574926995 949037256 /nfs/dbraw/zinc/03/72/56/949037256.db2.gz FJPVXAIHYHUZLY-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574926995 949037275 /nfs/dbraw/zinc/03/72/75/949037275.db2.gz FJPVXAIHYHUZLY-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001575503009 949037465 /nfs/dbraw/zinc/03/74/65/949037465.db2.gz MRZHIXPTWRVVAM-LURJTMIESA-N -1 1 387.433 0.908 20 0 GCADMM CC(C)(C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1c[nH]cn1 ZINC001573775290 949040208 /nfs/dbraw/zinc/04/02/08/949040208.db2.gz VVGBMUBQOJQUOJ-NSHDSACASA-N -1 1 382.432 0.664 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574927239 949042868 /nfs/dbraw/zinc/04/28/68/949042868.db2.gz ICQAMYRMRMOMJD-ZCFIWIBFSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574927239 949042849 /nfs/dbraw/zinc/04/28/49/949042849.db2.gz ICQAMYRMRMOMJD-ZCFIWIBFSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575247227 949043004 /nfs/dbraw/zinc/04/30/04/949043004.db2.gz IYRLZZZDVOHERL-NSHDSACASA-N -1 1 389.464 0.102 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575247227 949043025 /nfs/dbraw/zinc/04/30/25/949043025.db2.gz IYRLZZZDVOHERL-NSHDSACASA-N -1 1 389.464 0.102 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575247125 949043232 /nfs/dbraw/zinc/04/32/32/949043232.db2.gz IJDMSDHJYCIEPE-WDEREUQCSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575247125 949043213 /nfs/dbraw/zinc/04/32/13/949043213.db2.gz IJDMSDHJYCIEPE-WDEREUQCSA-N -1 1 389.464 0.148 20 0 GCADMM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCOCC1 ZINC001573775486 949043725 /nfs/dbraw/zinc/04/37/25/949043725.db2.gz XNWMKGQWTLNQGA-UHFFFAOYSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574927498 949047187 /nfs/dbraw/zinc/04/71/87/949047187.db2.gz JJXCGTDEEQBMNF-NSHDSACASA-N -1 1 381.400 0.003 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574927498 949047168 /nfs/dbraw/zinc/04/71/68/949047168.db2.gz JJXCGTDEEQBMNF-NSHDSACASA-N -1 1 381.400 0.003 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575503489 949049064 /nfs/dbraw/zinc/04/90/64/949049064.db2.gz QDDRSWGSETWDJI-GFCCVEGCSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575503489 949049084 /nfs/dbraw/zinc/04/90/84/949049084.db2.gz QDDRSWGSETWDJI-GFCCVEGCSA-N -1 1 383.416 0.414 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574092294 949053080 /nfs/dbraw/zinc/05/30/80/949053080.db2.gz NNWSGKHEFVRJID-OLZOCXBDSA-N -1 1 386.460 0.591 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574092295 949054088 /nfs/dbraw/zinc/05/40/88/949054088.db2.gz NNWSGKHEFVRJID-QWHCGFSZSA-N -1 1 386.460 0.591 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575503906 949054914 /nfs/dbraw/zinc/05/49/14/949054914.db2.gz QJSAUYXKNLAEKR-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575503906 949054933 /nfs/dbraw/zinc/05/49/33/949054933.db2.gz QJSAUYXKNLAEKR-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CCc1ccccc1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574693439 949055527 /nfs/dbraw/zinc/05/55/27/949055527.db2.gz HOGGOIHBHHDVGH-LBPRGKRZSA-N -1 1 383.412 0.657 20 0 GCADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441277 949059458 /nfs/dbraw/zinc/05/94/58/949059458.db2.gz JAUFVNZVCCWJOG-PHIMTYICSA-N -1 1 383.416 0.811 20 0 GCADMM CC(C)(C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(F)F ZINC001573779488 949063220 /nfs/dbraw/zinc/06/32/20/949063220.db2.gz JVJDNDSBTYFMOD-UHFFFAOYSA-N -1 1 386.428 0.882 20 0 GCADMM CC(C)(C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573779468 949064538 /nfs/dbraw/zinc/06/45/38/949064538.db2.gz JAUXKDQGYAFAFS-UHFFFAOYSA-N -1 1 382.432 0.086 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574694256 949067509 /nfs/dbraw/zinc/06/75/09/949067509.db2.gz MFTHQCBRNSNUNY-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574694256 949067528 /nfs/dbraw/zinc/06/75/28/949067528.db2.gz MFTHQCBRNSNUNY-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574092607 949071654 /nfs/dbraw/zinc/07/16/54/949071654.db2.gz OYAVFQWPGHNFHH-STQMWFEESA-N -1 1 386.460 0.448 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575504449 949072824 /nfs/dbraw/zinc/07/28/24/949072824.db2.gz UUTIYCNVUUXQHJ-NWDGAFQWSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575504449 949072847 /nfs/dbraw/zinc/07/28/47/949072847.db2.gz UUTIYCNVUUXQHJ-NWDGAFQWSA-N -1 1 383.416 0.460 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1c[nH]cn1 ZINC001573780039 949075017 /nfs/dbraw/zinc/07/50/17/949075017.db2.gz QITFPWRJGZBQJA-LLVKDONJSA-N -1 1 382.432 0.443 20 0 GCADMM C[C@@H](Sc1nc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cs1)C(N)=O ZINC001575504712 949084652 /nfs/dbraw/zinc/08/46/52/949084652.db2.gz WOVJEQLUTYJHPM-ZCFIWIBFSA-N -1 1 393.458 0.204 20 0 GCADMM C[C@@H](Sc1nc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cs1)C(N)=O ZINC001575504712 949084666 /nfs/dbraw/zinc/08/46/66/949084666.db2.gz WOVJEQLUTYJHPM-ZCFIWIBFSA-N -1 1 393.458 0.204 20 0 GCADMM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574929289 949086539 /nfs/dbraw/zinc/08/65/39/949086539.db2.gz CFVQCYOHYDHRMF-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573780356 949088488 /nfs/dbraw/zinc/08/84/88/949088488.db2.gz WVTPDELPNJGKCT-LLVKDONJSA-N -1 1 382.432 0.300 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575249648 949102806 /nfs/dbraw/zinc/10/28/06/949102806.db2.gz ZSZNVXWQZQALTR-MNOVXSKESA-N -1 1 389.464 0.148 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575249648 949102800 /nfs/dbraw/zinc/10/28/00/949102800.db2.gz ZSZNVXWQZQALTR-MNOVXSKESA-N -1 1 389.464 0.148 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574443157 949103907 /nfs/dbraw/zinc/10/39/07/949103907.db2.gz VPDFWJBKMBCWCD-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574443157 949103912 /nfs/dbraw/zinc/10/39/12/949103912.db2.gz VPDFWJBKMBCWCD-JTQLQIEISA-N -1 1 387.404 0.313 20 0 GCADMM C[C@@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575250071 949107035 /nfs/dbraw/zinc/10/70/35/949107035.db2.gz CYUSUAYUAHUGHR-RNFRBKRXSA-N -1 1 384.853 0.183 20 0 GCADMM C[C@@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575250071 949107047 /nfs/dbraw/zinc/10/70/47/949107047.db2.gz CYUSUAYUAHUGHR-RNFRBKRXSA-N -1 1 384.853 0.183 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CN1CCCCCC1=O ZINC001574695342 949108332 /nfs/dbraw/zinc/10/83/32/949108332.db2.gz FXPFHXFNNDAQAE-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CN1CCCCCC1=O ZINC001574695342 949108343 /nfs/dbraw/zinc/10/83/43/949108343.db2.gz FXPFHXFNNDAQAE-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM CC(C)c1nocc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574443426 949109848 /nfs/dbraw/zinc/10/98/48/949109848.db2.gz YBYYBPVLEPTQBK-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1nocc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574443426 949109858 /nfs/dbraw/zinc/10/98/58/949109858.db2.gz YBYYBPVLEPTQBK-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CN1CCCCCC1=O ZINC001574695343 949109868 /nfs/dbraw/zinc/10/98/68/949109868.db2.gz FXPFHXFNNDAQAE-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CN1CCCCCC1=O ZINC001574695343 949109882 /nfs/dbraw/zinc/10/98/82/949109882.db2.gz FXPFHXFNNDAQAE-LBPRGKRZSA-N -1 1 387.448 0.366 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573782352 949120406 /nfs/dbraw/zinc/12/04/06/949120406.db2.gz SOPWDPFIICIREB-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573782352 949120415 /nfs/dbraw/zinc/12/04/15/949120415.db2.gz SOPWDPFIICIREB-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1nccnc1-c1nn[n-]n1 ZINC001574931529 949120933 /nfs/dbraw/zinc/12/09/33/949120933.db2.gz QKAPPARLBGHNHW-NEPJUHHUSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1nccnc1-c1nnn[n-]1 ZINC001574931529 949120907 /nfs/dbraw/zinc/12/09/07/949120907.db2.gz QKAPPARLBGHNHW-NEPJUHHUSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C(N)=O ZINC001575510130 949122426 /nfs/dbraw/zinc/12/24/26/949122426.db2.gz GJFCMNLHBZNCGJ-JOYOIKCWSA-N -1 1 392.466 0.864 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C)nc1Cl ZINC001574696196 949125892 /nfs/dbraw/zinc/12/58/92/949125892.db2.gz MRFSKOVXNPTCHF-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C)nc1Cl ZINC001574696196 949125908 /nfs/dbraw/zinc/12/59/08/949125908.db2.gz MRFSKOVXNPTCHF-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574696268 949128498 /nfs/dbraw/zinc/12/84/98/949128498.db2.gz OYCYTWNPDLOZQT-NEPJUHHUSA-N -1 1 387.448 0.363 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574696268 949128512 /nfs/dbraw/zinc/12/85/12/949128512.db2.gz OYCYTWNPDLOZQT-NEPJUHHUSA-N -1 1 387.448 0.363 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574446386 949129225 /nfs/dbraw/zinc/12/92/25/949129225.db2.gz OAFSQNIRRHVRKS-NEPJUHHUSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1c[nH]cn1 ZINC001573782679 949129383 /nfs/dbraw/zinc/12/93/83/949129383.db2.gz GWSVYJUDESTUTD-XYPYZODXSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn2c1CCCC2 ZINC001574696277 949129622 /nfs/dbraw/zinc/12/96/22/949129622.db2.gz PCFVLTMFMRHKQJ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn2c1CCCC2 ZINC001574696277 949129641 /nfs/dbraw/zinc/12/96/41/949129641.db2.gz PCFVLTMFMRHKQJ-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn(C(F)F)n1 ZINC001574696380 949130115 /nfs/dbraw/zinc/13/01/15/949130115.db2.gz PEOPXAXYKFALMI-MRVPVSSYSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn(C(F)F)n1 ZINC001574696380 949130130 /nfs/dbraw/zinc/13/01/30/949130130.db2.gz PEOPXAXYKFALMI-MRVPVSSYSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCOC1CCOCC1 ZINC001574696270 949130476 /nfs/dbraw/zinc/13/04/76/949130476.db2.gz OYKVFPPTSHVRPR-GFCCVEGCSA-N -1 1 390.448 0.549 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCOC1CCOCC1 ZINC001574696270 949130485 /nfs/dbraw/zinc/13/04/85/949130485.db2.gz OYKVFPPTSHVRPR-GFCCVEGCSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573782767 949132536 /nfs/dbraw/zinc/13/25/36/949132536.db2.gz JAUXKDQGYAFAFS-XYPYZODXSA-N -1 1 382.432 0.086 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574932197 949135710 /nfs/dbraw/zinc/13/57/10/949135710.db2.gz VUUSYYQRWYFYRY-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574932197 949135722 /nfs/dbraw/zinc/13/57/22/949135722.db2.gz VUUSYYQRWYFYRY-LBPRGKRZSA-N -1 1 383.416 0.209 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573782961 949136227 /nfs/dbraw/zinc/13/62/27/949136227.db2.gz PLRWBWUSCFCNGK-XYPYZODXSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COC[C@H]1CCCO1 ZINC001574696787 949137430 /nfs/dbraw/zinc/13/74/30/949137430.db2.gz UKTKXPWZPXTNEA-NWDGAFQWSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COC[C@H]1CCCO1 ZINC001574696787 949137449 /nfs/dbraw/zinc/13/74/49/949137449.db2.gz UKTKXPWZPXTNEA-NWDGAFQWSA-N -1 1 376.421 0.159 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574094634 949142119 /nfs/dbraw/zinc/14/21/19/949142119.db2.gz ZFSQYLSHBIHLED-CHWSQXEVSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574094634 949142134 /nfs/dbraw/zinc/14/21/34/949142134.db2.gz ZFSQYLSHBIHLED-CHWSQXEVSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2ccccn21 ZINC001574696831 949143836 /nfs/dbraw/zinc/14/38/36/949143836.db2.gz VNINWECVIRYEOV-NSHDSACASA-N -1 1 378.400 0.925 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2ccccn21 ZINC001574696831 949143852 /nfs/dbraw/zinc/14/38/52/949143852.db2.gz VNINWECVIRYEOV-NSHDSACASA-N -1 1 378.400 0.925 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574696797 949143963 /nfs/dbraw/zinc/14/39/63/949143963.db2.gz UPBIZNVSDHYOHC-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574696797 949144007 /nfs/dbraw/zinc/14/40/07/949144007.db2.gz UPBIZNVSDHYOHC-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574697558 949154039 /nfs/dbraw/zinc/15/40/39/949154039.db2.gz AYUKWEGOLMUDIZ-RNFRBKRXSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934360 949154521 /nfs/dbraw/zinc/15/45/21/949154521.db2.gz GFEZKCBHUQUMRN-JTQLQIEISA-N -1 1 388.819 0.728 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574934426 949158353 /nfs/dbraw/zinc/15/83/53/949158353.db2.gz HVJONNNSKLNBBK-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574934426 949158366 /nfs/dbraw/zinc/15/83/66/949158366.db2.gz HVJONNNSKLNBBK-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573786980 949158871 /nfs/dbraw/zinc/15/88/71/949158871.db2.gz HMWVHQMYWUCJOR-KYZUINATSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574934427 949160092 /nfs/dbraw/zinc/16/00/92/949160092.db2.gz HVJONNNSKLNBBK-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574934427 949160114 /nfs/dbraw/zinc/16/01/14/949160114.db2.gz HVJONNNSKLNBBK-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574934381 949160351 /nfs/dbraw/zinc/16/03/51/949160351.db2.gz GTOVVDWGVDTPHN-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574934381 949160359 /nfs/dbraw/zinc/16/03/59/949160359.db2.gz GTOVVDWGVDTPHN-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575252637 949166074 /nfs/dbraw/zinc/16/60/74/949166074.db2.gz QOCQGVYPEUFKCR-GMTAPVOTSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575252637 949166067 /nfs/dbraw/zinc/16/60/67/949166067.db2.gz QOCQGVYPEUFKCR-GMTAPVOTSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934540 949167142 /nfs/dbraw/zinc/16/71/42/949167142.db2.gz KLBGXNRGPCSDCO-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934540 949167159 /nfs/dbraw/zinc/16/71/59/949167159.db2.gz KLBGXNRGPCSDCO-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)C1CCCC1 ZINC001573787243 949171030 /nfs/dbraw/zinc/17/10/30/949171030.db2.gz ROZKVYRTGNVXSS-OLZOCXBDSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575253136 949179016 /nfs/dbraw/zinc/17/90/16/949179016.db2.gz SOYMOLMIVQADRZ-DCAQKATOSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575253136 949179031 /nfs/dbraw/zinc/17/90/31/949179031.db2.gz SOYMOLMIVQADRZ-DCAQKATOSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575253140 949179172 /nfs/dbraw/zinc/17/91/72/949179172.db2.gz SOYMOLMIVQADRZ-GMTAPVOTSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575253140 949179184 /nfs/dbraw/zinc/17/91/84/949179184.db2.gz SOYMOLMIVQADRZ-GMTAPVOTSA-N -1 1 387.448 0.267 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574449861 949199851 /nfs/dbraw/zinc/19/98/51/949199851.db2.gz TXGGAYYVXCUIJQ-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574449861 949199860 /nfs/dbraw/zinc/19/98/60/949199860.db2.gz TXGGAYYVXCUIJQ-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574102736 949205925 /nfs/dbraw/zinc/20/59/25/949205925.db2.gz AGXJYUWTERSONL-FZKQIMNGSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574102736 949205940 /nfs/dbraw/zinc/20/59/40/949205940.db2.gz AGXJYUWTERSONL-FZKQIMNGSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2cnccc12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574936136 949208312 /nfs/dbraw/zinc/20/83/12/949208312.db2.gz HOWPUQYMDJCRHL-NSHDSACASA-N -1 1 392.427 0.362 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574451161 949215291 /nfs/dbraw/zinc/21/52/91/949215291.db2.gz FJKFRHNBKJEJGT-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574451161 949215315 /nfs/dbraw/zinc/21/53/15/949215315.db2.gz FJKFRHNBKJEJGT-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001575854039 949222862 /nfs/dbraw/zinc/22/28/62/949222862.db2.gz RBYKLLUPRICPLT-UHFFFAOYSA-N -1 1 382.388 0.259 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001575854039 949222879 /nfs/dbraw/zinc/22/28/79/949222879.db2.gz RBYKLLUPRICPLT-UHFFFAOYSA-N -1 1 382.388 0.259 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CC2OCCCO2)CC1 ZINC001575854068 949230495 /nfs/dbraw/zinc/23/04/95/949230495.db2.gz ZSSUICSZZBEWEP-UHFFFAOYSA-N -1 1 388.432 0.603 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CC2OCCCO2)CC1 ZINC001575854068 949230513 /nfs/dbraw/zinc/23/05/13/949230513.db2.gz ZSSUICSZZBEWEP-UHFFFAOYSA-N -1 1 388.432 0.603 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574938066 949234617 /nfs/dbraw/zinc/23/46/17/949234617.db2.gz RGKBJQVKUHEENF-SNVBAGLBSA-N -1 1 388.382 0.764 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001575854643 949238291 /nfs/dbraw/zinc/23/82/91/949238291.db2.gz YRHCHPYIYCIDTP-UHFFFAOYSA-N -1 1 383.391 0.720 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001575854662 949238790 /nfs/dbraw/zinc/23/87/90/949238790.db2.gz ZJDAMVPKMGNKOK-INIZCTEOSA-N -1 1 376.396 0.000 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574451780 949244870 /nfs/dbraw/zinc/24/48/70/949244870.db2.gz YKGRARXLGHZGNZ-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574451780 949244892 /nfs/dbraw/zinc/24/48/92/949244892.db2.gz YKGRARXLGHZGNZ-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCn2ccnc2)CC1 ZINC001575856101 949246432 /nfs/dbraw/zinc/24/64/32/949246432.db2.gz DBUXVBVJWMGFNO-UHFFFAOYSA-N -1 1 382.432 0.737 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCn2ccnc2)CC1 ZINC001575856101 949246456 /nfs/dbraw/zinc/24/64/56/949246456.db2.gz DBUXVBVJWMGFNO-UHFFFAOYSA-N -1 1 382.432 0.737 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574938631 949248572 /nfs/dbraw/zinc/24/85/72/949248572.db2.gz XVRCEPDMXCWRRT-MRVPVSSYSA-N -1 1 378.849 0.953 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574938705 949250310 /nfs/dbraw/zinc/25/03/10/949250310.db2.gz ZIAYSBPHXLJTIJ-SNVBAGLBSA-N -1 1 388.382 0.764 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574700014 949250797 /nfs/dbraw/zinc/25/07/97/949250797.db2.gz XUGVMYDBFPGAQN-RYUDHWBXSA-N -1 1 383.416 0.200 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574940164 949251093 /nfs/dbraw/zinc/25/10/93/949251093.db2.gz AIRQQTXECJSBAT-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574940164 949251113 /nfs/dbraw/zinc/25/11/13/949251113.db2.gz AIRQQTXECJSBAT-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2n[nH]cc2c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574940224 949256513 /nfs/dbraw/zinc/25/65/13/949256513.db2.gz BWILHOSLTBTYEK-LLVKDONJSA-N -1 1 392.427 0.717 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)[C@@H]1C ZINC001576152718 949257764 /nfs/dbraw/zinc/25/77/64/949257764.db2.gz KMDUYNFOTBPTFT-BREBYQMCSA-N -1 1 388.432 0.520 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574452273 949260649 /nfs/dbraw/zinc/26/06/49/949260649.db2.gz INPXPUGVHRGDKA-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574452273 949260668 /nfs/dbraw/zinc/26/06/68/949260668.db2.gz INPXPUGVHRGDKA-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001575857239 949265875 /nfs/dbraw/zinc/26/58/75/949265875.db2.gz QBDIXUQYDAJERY-UHFFFAOYSA-N -1 1 382.432 0.806 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001575857239 949265901 /nfs/dbraw/zinc/26/59/01/949265901.db2.gz QBDIXUQYDAJERY-UHFFFAOYSA-N -1 1 382.432 0.806 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)cn1 ZINC001574452864 949266466 /nfs/dbraw/zinc/26/64/66/949266466.db2.gz OXIYLKXWSWTDBL-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)cn1 ZINC001574452864 949266486 /nfs/dbraw/zinc/26/64/86/949266486.db2.gz OXIYLKXWSWTDBL-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452869 949268874 /nfs/dbraw/zinc/26/88/74/949268874.db2.gz OYBFTMMWJOLOQF-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452540 949271193 /nfs/dbraw/zinc/27/11/93/949271193.db2.gz MRSBOOFJANNFNS-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452540 949271213 /nfs/dbraw/zinc/27/12/13/949271213.db2.gz MRSBOOFJANNFNS-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940869 949276292 /nfs/dbraw/zinc/27/62/92/949276292.db2.gz LDVHPAHSIHPMQP-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940869 949276314 /nfs/dbraw/zinc/27/63/14/949276314.db2.gz LDVHPAHSIHPMQP-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCn2cncn2)CC1 ZINC001575857733 949278563 /nfs/dbraw/zinc/27/85/63/949278563.db2.gz UPQWACLHKSUZJE-UHFFFAOYSA-N -1 1 383.420 0.132 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCn2cncn2)CC1 ZINC001575857733 949278585 /nfs/dbraw/zinc/27/85/85/949278585.db2.gz UPQWACLHKSUZJE-UHFFFAOYSA-N -1 1 383.420 0.132 20 0 GCADMM C[C@H]1CCC[C@H](OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153191 949279094 /nfs/dbraw/zinc/27/90/94/949279094.db2.gz LJBCPXLJMMHDDM-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCC[C@H](OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153191 949279117 /nfs/dbraw/zinc/27/91/17/949279117.db2.gz LJBCPXLJMMHDDM-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574457158 949315862 /nfs/dbraw/zinc/31/58/62/949315862.db2.gz ARTCRJWHRRDMJE-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457119 949316505 /nfs/dbraw/zinc/31/65/05/949316505.db2.gz AJIPHHFJLZCDEI-HAQNSBGRSA-N -1 1 382.432 0.477 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575259150 949318202 /nfs/dbraw/zinc/31/82/02/949318202.db2.gz MRKDAOUEVXCCKM-NEPJUHHUSA-N -1 1 386.416 0.266 20 0 GCADMM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001573795290 949321151 /nfs/dbraw/zinc/32/11/51/949321151.db2.gz LLNFTUFIIYVTFU-SNVBAGLBSA-N -1 1 388.432 0.679 20 0 GCADMM CC(C)(C)C(=O)N1CCN([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573795421 949325574 /nfs/dbraw/zinc/32/55/74/949325574.db2.gz MXYFYSCWIJEAID-CYBMUJFWSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457385 949329142 /nfs/dbraw/zinc/32/91/42/949329142.db2.gz JYJGALKEZPDORZ-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457385 949329163 /nfs/dbraw/zinc/32/91/63/949329163.db2.gz JYJGALKEZPDORZ-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC1(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575525485 949344876 /nfs/dbraw/zinc/34/48/76/949344876.db2.gz OIMIBBXLXWUTMV-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM CC1(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575525485 949344892 /nfs/dbraw/zinc/34/48/92/949344892.db2.gz OIMIBBXLXWUTMV-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC001574458807 949347452 /nfs/dbraw/zinc/34/74/52/949347452.db2.gz YTQFTQWQFIQQOZ-ZDUSSCGKSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC001574458806 949348259 /nfs/dbraw/zinc/34/82/59/949348259.db2.gz YTQFTQWQFIQQOZ-CYBMUJFWSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)(C)C(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001573797045 949349983 /nfs/dbraw/zinc/34/99/83/949349983.db2.gz YYKVGPTXSQGMBW-CYBMUJFWSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)(C)C(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001573797045 949350007 /nfs/dbraw/zinc/35/00/07/949350007.db2.gz YYKVGPTXSQGMBW-CYBMUJFWSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001574459885 949365771 /nfs/dbraw/zinc/36/57/71/949365771.db2.gz OECHCUYWRZURNN-PJXYFTJBSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001574459885 949365789 /nfs/dbraw/zinc/36/57/89/949365789.db2.gz OECHCUYWRZURNN-PJXYFTJBSA-N -1 1 380.416 0.299 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942697 949367655 /nfs/dbraw/zinc/36/76/55/949367655.db2.gz REZXEASBWAXRNB-ZETCQYMHSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001575260973 949370428 /nfs/dbraw/zinc/37/04/28/949370428.db2.gz YSWHHCJMTSVBJV-SNVBAGLBSA-N -1 1 385.428 0.968 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573799682 949377727 /nfs/dbraw/zinc/37/77/27/949377727.db2.gz PIUIUALOXOHNEK-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573799682 949377752 /nfs/dbraw/zinc/37/77/52/949377752.db2.gz PIUIUALOXOHNEK-NSHDSACASA-N -1 1 387.448 0.079 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001574464140 949396181 /nfs/dbraw/zinc/39/61/81/949396181.db2.gz GTEJBDCMCYWHLA-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001574464140 949396203 /nfs/dbraw/zinc/39/62/03/949396203.db2.gz GTEJBDCMCYWHLA-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn(C)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944880 949401145 /nfs/dbraw/zinc/40/11/45/949401145.db2.gz HSOVSXBCAHBZKY-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn(C)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944880 949401151 /nfs/dbraw/zinc/40/11/51/949401151.db2.gz HSOVSXBCAHBZKY-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnon1 ZINC001576155642 949414998 /nfs/dbraw/zinc/41/49/98/949414998.db2.gz JNVSZCJQRYUAGR-MGPLVRAMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnon1 ZINC001576155642 949415010 /nfs/dbraw/zinc/41/50/10/949415010.db2.gz JNVSZCJQRYUAGR-MGPLVRAMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H](CNC(=O)Cc1ncc[nH]1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574945543 949416274 /nfs/dbraw/zinc/41/62/74/949416274.db2.gz LXSCFHWPKYAAPZ-SSDOTTSWSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@H](CNC(=O)Cc1ncc[nH]1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574945543 949416288 /nfs/dbraw/zinc/41/62/88/949416288.db2.gz LXSCFHWPKYAAPZ-SSDOTTSWSA-N -1 1 381.853 0.883 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574464601 949420009 /nfs/dbraw/zinc/42/00/09/949420009.db2.gz NVAGCHIINUKPOJ-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574464601 949420024 /nfs/dbraw/zinc/42/00/24/949420024.db2.gz NVAGCHIINUKPOJ-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCN(C)C1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705322 949422581 /nfs/dbraw/zinc/42/25/81/949422581.db2.gz HVVMNQWFXUIPIU-VXGBXAGGSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCN(C)C1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705322 949422588 /nfs/dbraw/zinc/42/25/88/949422588.db2.gz HVVMNQWFXUIPIU-VXGBXAGGSA-N -1 1 387.448 0.174 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574465019 949424151 /nfs/dbraw/zinc/42/41/51/949424151.db2.gz SVYQQCJCXJPGOZ-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574465019 949424163 /nfs/dbraw/zinc/42/41/63/949424163.db2.gz SVYQQCJCXJPGOZ-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574465097 949428066 /nfs/dbraw/zinc/42/80/66/949428066.db2.gz XGGIWKWQAVTAHK-LBPRGKRZSA-N -1 1 382.432 0.430 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573802882 949430062 /nfs/dbraw/zinc/43/00/62/949430062.db2.gz KMDMLHKUCRCFCO-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573802882 949430074 /nfs/dbraw/zinc/43/00/74/949430074.db2.gz KMDMLHKUCRCFCO-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001575867475 949437131 /nfs/dbraw/zinc/43/71/31/949437131.db2.gz ZELKNKDUXROILU-SNVBAGLBSA-N -1 1 385.409 0.793 20 0 GCADMM C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001575867475 949437142 /nfs/dbraw/zinc/43/71/42/949437142.db2.gz ZELKNKDUXROILU-SNVBAGLBSA-N -1 1 385.409 0.793 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573803257 949438960 /nfs/dbraw/zinc/43/89/60/949438960.db2.gz OXMVDRYCRRJTJO-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573803257 949438978 /nfs/dbraw/zinc/43/89/78/949438978.db2.gz OXMVDRYCRRJTJO-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574705908 949442192 /nfs/dbraw/zinc/44/21/92/949442192.db2.gz KMYBWMWKKIQURC-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574705908 949442203 /nfs/dbraw/zinc/44/22/03/949442203.db2.gz KMYBWMWKKIQURC-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574705909 949444008 /nfs/dbraw/zinc/44/40/08/949444008.db2.gz KMYBWMWKKIQURC-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574705909 949444020 /nfs/dbraw/zinc/44/40/20/949444020.db2.gz KMYBWMWKKIQURC-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573803688 949449492 /nfs/dbraw/zinc/44/94/92/949449492.db2.gz QCDFNZNYVKXNPP-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573803688 949449509 /nfs/dbraw/zinc/44/95/09/949449509.db2.gz QCDFNZNYVKXNPP-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@@H]1C ZINC001576156550 949449538 /nfs/dbraw/zinc/44/95/38/949449538.db2.gz XCHBKOZYANLXIP-FOGDFJRCSA-N -1 1 376.421 0.253 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706198 949449857 /nfs/dbraw/zinc/44/98/57/949449857.db2.gz LKQCEAKWABAGLP-WDEREUQCSA-N -1 1 382.432 0.759 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1 ZINC001574468014 949451254 /nfs/dbraw/zinc/45/12/54/949451254.db2.gz DHPAXAQRHXNSIK-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001574468014 949451276 /nfs/dbraw/zinc/45/12/76/949451276.db2.gz DHPAXAQRHXNSIK-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575265577 949454720 /nfs/dbraw/zinc/45/47/20/949454720.db2.gz UZRFSXKKESCCIS-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575265577 949454734 /nfs/dbraw/zinc/45/47/34/949454734.db2.gz UZRFSXKKESCCIS-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1nccnc1-c1nnn[n-]1 ZINC001574948371 949460906 /nfs/dbraw/zinc/46/09/06/949460906.db2.gz IHEBDQUPDKMOMM-VIFPVBQESA-N -1 1 376.812 0.371 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1nccnc1-c1nn[n-]n1 ZINC001574948371 949460926 /nfs/dbraw/zinc/46/09/26/949460926.db2.gz IHEBDQUPDKMOMM-VIFPVBQESA-N -1 1 376.812 0.371 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573804068 949462717 /nfs/dbraw/zinc/46/27/17/949462717.db2.gz SCANPIZJWRUVJL-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573804068 949462738 /nfs/dbraw/zinc/46/27/38/949462738.db2.gz SCANPIZJWRUVJL-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573804333 949467092 /nfs/dbraw/zinc/46/70/92/949467092.db2.gz USQDNDZNKCFJTD-PHIMTYICSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573804333 949467104 /nfs/dbraw/zinc/46/71/04/949467104.db2.gz USQDNDZNKCFJTD-PHIMTYICSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574948551 949469507 /nfs/dbraw/zinc/46/95/07/949469507.db2.gz LCJBNALQWBSQHH-SECBINFHSA-N -1 1 392.374 0.655 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574948551 949469514 /nfs/dbraw/zinc/46/95/14/949469514.db2.gz LCJBNALQWBSQHH-SECBINFHSA-N -1 1 392.374 0.655 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574948737 949471388 /nfs/dbraw/zinc/47/13/88/949471388.db2.gz MDZBVJDGBXAAHO-VIFPVBQESA-N -1 1 392.374 0.655 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574948737 949471407 /nfs/dbraw/zinc/47/14/07/949471407.db2.gz MDZBVJDGBXAAHO-VIFPVBQESA-N -1 1 392.374 0.655 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c1 ZINC001574469143 949472303 /nfs/dbraw/zinc/47/23/03/949472303.db2.gz XLSFJLRSTCJDOD-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c1 ZINC001574469143 949472310 /nfs/dbraw/zinc/47/23/10/949472310.db2.gz XLSFJLRSTCJDOD-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573804603 949472549 /nfs/dbraw/zinc/47/25/49/949472549.db2.gz XOXZVNCIRRHOAC-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573804603 949472567 /nfs/dbraw/zinc/47/25/67/949472567.db2.gz XOXZVNCIRRHOAC-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574949077 949480974 /nfs/dbraw/zinc/48/09/74/949480974.db2.gz QKLXXXLYGITPEW-SECBINFHSA-N -1 1 392.374 0.655 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574949077 949480982 /nfs/dbraw/zinc/48/09/82/949480982.db2.gz QKLXXXLYGITPEW-SECBINFHSA-N -1 1 392.374 0.655 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574469707 949481420 /nfs/dbraw/zinc/48/14/20/949481420.db2.gz FXGXGXUBWOXFFC-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574469707 949481428 /nfs/dbraw/zinc/48/14/28/949481428.db2.gz FXGXGXUBWOXFFC-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575869939 949481576 /nfs/dbraw/zinc/48/15/76/949481576.db2.gz SRXLCWMPYNKWLY-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575869944 949481702 /nfs/dbraw/zinc/48/17/02/949481702.db2.gz SRXLCWMPYNKWLY-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574949072 949482535 /nfs/dbraw/zinc/48/25/35/949482535.db2.gz QGZBNSAIZJQMGX-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574949072 949482553 /nfs/dbraw/zinc/48/25/53/949482553.db2.gz QGZBNSAIZJQMGX-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccon1 ZINC001576157436 949482891 /nfs/dbraw/zinc/48/28/91/949482891.db2.gz QIWTWUNKZYDAGM-GTNSWQLSSA-N -1 1 383.416 0.857 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574469862 949485658 /nfs/dbraw/zinc/48/56/58/949485658.db2.gz ITNJOPYJGAJGND-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574469862 949485675 /nfs/dbraw/zinc/48/56/75/949485675.db2.gz ITNJOPYJGAJGND-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574117989 949487924 /nfs/dbraw/zinc/48/79/24/949487924.db2.gz COBIMTDVQVOCNU-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574117989 949487935 /nfs/dbraw/zinc/48/79/35/949487935.db2.gz COBIMTDVQVOCNU-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574949351 949488761 /nfs/dbraw/zinc/48/87/61/949488761.db2.gz URZQIZKAHRPIDV-VIFPVBQESA-N -1 1 376.812 0.148 20 0 GCADMM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574949351 949488780 /nfs/dbraw/zinc/48/87/80/949488780.db2.gz URZQIZKAHRPIDV-VIFPVBQESA-N -1 1 376.812 0.148 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574470037 949489684 /nfs/dbraw/zinc/48/96/84/949489684.db2.gz LCHRBPVZDIMSKU-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574118972 949494886 /nfs/dbraw/zinc/49/48/86/949494886.db2.gz HFQGFBFOQMMWAK-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574118972 949494901 /nfs/dbraw/zinc/49/49/01/949494901.db2.gz HFQGFBFOQMMWAK-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574470420 949499216 /nfs/dbraw/zinc/49/92/16/949499216.db2.gz PUOUKBSUEWRVQG-GFCCVEGCSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001574470416 949499516 /nfs/dbraw/zinc/49/95/16/949499516.db2.gz PPMHPJLGKSVLSR-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574119780 949499824 /nfs/dbraw/zinc/49/98/24/949499824.db2.gz JFKSLXNNESJGSF-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574119780 949499839 /nfs/dbraw/zinc/49/98/39/949499839.db2.gz JFKSLXNNESJGSF-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001574470415 949500003 /nfs/dbraw/zinc/50/00/03/949500003.db2.gz POYWKIBBUKAXIE-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574470415 949500028 /nfs/dbraw/zinc/50/00/28/949500028.db2.gz POYWKIBBUKAXIE-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574119825 949500998 /nfs/dbraw/zinc/50/09/98/949500998.db2.gz KCQWAJACGXMWNL-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574119825 949501012 /nfs/dbraw/zinc/50/10/12/949501012.db2.gz KCQWAJACGXMWNL-NWDGAFQWSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574119790 949501477 /nfs/dbraw/zinc/50/14/77/949501477.db2.gz JHIPQYLIQNLSPB-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574119790 949501489 /nfs/dbraw/zinc/50/14/89/949501489.db2.gz JHIPQYLIQNLSPB-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574470483 949502499 /nfs/dbraw/zinc/50/24/99/949502499.db2.gz SKKZHSDJHDRRHB-HAQNSBGRSA-N -1 1 382.432 0.477 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575267386 949503002 /nfs/dbraw/zinc/50/30/02/949503002.db2.gz IPLCTGULMNEORF-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575267386 949503021 /nfs/dbraw/zinc/50/30/21/949503021.db2.gz IPLCTGULMNEORF-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@]1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575537787 949503882 /nfs/dbraw/zinc/50/38/82/949503882.db2.gz XTBJEUFUTSBBMW-VLIAUNLRSA-N -1 1 390.451 0.996 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575267382 949504275 /nfs/dbraw/zinc/50/42/75/949504275.db2.gz IPLCTGULMNEORF-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575267382 949504283 /nfs/dbraw/zinc/50/42/83/949504283.db2.gz IPLCTGULMNEORF-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574949674 949507106 /nfs/dbraw/zinc/50/71/06/949507106.db2.gz AIBHFNBKBMRBIX-BQBZGAKWSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574949674 949507128 /nfs/dbraw/zinc/50/71/28/949507128.db2.gz AIBHFNBKBMRBIX-BQBZGAKWSA-N -1 1 384.853 0.419 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574121416 949510616 /nfs/dbraw/zinc/51/06/16/949510616.db2.gz QBUUWQPUFYKROH-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574121416 949510635 /nfs/dbraw/zinc/51/06/35/949510635.db2.gz QBUUWQPUFYKROH-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)n1nccc1C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574470789 949512611 /nfs/dbraw/zinc/51/26/11/949512611.db2.gz UPMINBTZCMRRIU-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574470789 949512622 /nfs/dbraw/zinc/51/26/22/949512622.db2.gz UPMINBTZCMRRIU-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC001574470748 949514424 /nfs/dbraw/zinc/51/44/24/949514424.db2.gz GCCWVSIELBBWKG-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC001574470748 949514432 /nfs/dbraw/zinc/51/44/32/949514432.db2.gz GCCWVSIELBBWKG-NWDGAFQWSA-N -1 1 384.448 0.843 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574121456 949517151 /nfs/dbraw/zinc/51/71/51/949517151.db2.gz RANLQRDQCALPCZ-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574121456 949517160 /nfs/dbraw/zinc/51/71/60/949517160.db2.gz RANLQRDQCALPCZ-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574470815 949519476 /nfs/dbraw/zinc/51/94/76/949519476.db2.gz UTFJZRUUOPJBCO-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710957 949522792 /nfs/dbraw/zinc/52/27/92/949522792.db2.gz COVSUKFSODPWHF-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710957 949522805 /nfs/dbraw/zinc/52/28/05/949522805.db2.gz COVSUKFSODPWHF-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cocn1 ZINC001576160061 949524692 /nfs/dbraw/zinc/52/46/92/949524692.db2.gz ZHJQCVBBUSZZGP-GTNSWQLSSA-N -1 1 383.416 0.857 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001576163377 949529751 /nfs/dbraw/zinc/52/97/51/949529751.db2.gz ARCQUQRGBOUICH-VXGBXAGGSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001576163377 949529783 /nfs/dbraw/zinc/52/97/83/949529783.db2.gz ARCQUQRGBOUICH-VXGBXAGGSA-N -1 1 390.448 0.960 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574122643 949530733 /nfs/dbraw/zinc/53/07/33/949530733.db2.gz ZOKBKWAKYJEYJL-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574122643 949530749 /nfs/dbraw/zinc/53/07/49/949530749.db2.gz ZOKBKWAKYJEYJL-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001576163375 949530886 /nfs/dbraw/zinc/53/08/86/949530886.db2.gz ARCQUQRGBOUICH-NWDGAFQWSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001576163375 949530902 /nfs/dbraw/zinc/53/09/02/949530902.db2.gz ARCQUQRGBOUICH-NWDGAFQWSA-N -1 1 390.448 0.960 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574122636 949532799 /nfs/dbraw/zinc/53/27/99/949532799.db2.gz ZLPUFKACMZQHTJ-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574122636 949532811 /nfs/dbraw/zinc/53/28/11/949532811.db2.gz ZLPUFKACMZQHTJ-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574471882 949537216 /nfs/dbraw/zinc/53/72/16/949537216.db2.gz OKWIUHGZHWCMQN-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574471882 949537236 /nfs/dbraw/zinc/53/72/36/949537236.db2.gz OKWIUHGZHWCMQN-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711486 949541023 /nfs/dbraw/zinc/54/10/23/949541023.db2.gz HTIGXQWSGMTNGN-AAEUAGOBSA-N -1 1 380.412 0.514 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574950742 949543724 /nfs/dbraw/zinc/54/37/24/949543724.db2.gz TXDACIXRWHITBK-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574950742 949543739 /nfs/dbraw/zinc/54/37/39/949543739.db2.gz TXDACIXRWHITBK-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576163893 949545539 /nfs/dbraw/zinc/54/55/39/949545539.db2.gz DGEGIRYCGNLLBZ-NWDGAFQWSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576163893 949545554 /nfs/dbraw/zinc/54/55/54/949545554.db2.gz DGEGIRYCGNLLBZ-NWDGAFQWSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576163959 949546546 /nfs/dbraw/zinc/54/65/46/949546546.db2.gz DOWLXXOPPPKLBM-STQMWFEESA-N -1 1 386.460 0.735 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574950957 949549393 /nfs/dbraw/zinc/54/93/93/949549393.db2.gz UXIXHVUNPKUXTE-RYUDHWBXSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574950957 949549409 /nfs/dbraw/zinc/54/94/09/949549409.db2.gz UXIXHVUNPKUXTE-RYUDHWBXSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574950797 949549763 /nfs/dbraw/zinc/54/97/63/949549763.db2.gz UMIAPPDMJTVIJF-RQJHMYQMSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711710 949553217 /nfs/dbraw/zinc/55/32/17/949553217.db2.gz KRKPVLBMNIYPAZ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711710 949553233 /nfs/dbraw/zinc/55/32/33/949553233.db2.gz KRKPVLBMNIYPAZ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575269484 949553674 /nfs/dbraw/zinc/55/36/74/949553674.db2.gz VFIOEHWYXGRZTC-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575269484 949553685 /nfs/dbraw/zinc/55/36/85/949553685.db2.gz VFIOEHWYXGRZTC-QWHCGFSZSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711870 949560271 /nfs/dbraw/zinc/56/02/71/949560271.db2.gz NJIGLEUOPHFSME-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711870 949560281 /nfs/dbraw/zinc/56/02/81/949560281.db2.gz NJIGLEUOPHFSME-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574473246 949565776 /nfs/dbraw/zinc/56/57/76/949565776.db2.gz ZCUDCEKHHLQVRG-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574473246 949565798 /nfs/dbraw/zinc/56/57/98/949565798.db2.gz ZCUDCEKHHLQVRG-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574473252 949566807 /nfs/dbraw/zinc/56/68/07/949566807.db2.gz ZFGWLOZOYPRUTR-STQMWFEESA-N -1 1 381.444 0.926 20 0 GCADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575269896 949567983 /nfs/dbraw/zinc/56/79/83/949567983.db2.gz XGSQDPIGSWXQQQ-STQMWFEESA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574473251 949569688 /nfs/dbraw/zinc/56/96/88/949569688.db2.gz ZFGWLOZOYPRUTR-QWHCGFSZSA-N -1 1 381.444 0.926 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576165328 949569993 /nfs/dbraw/zinc/56/99/93/949569993.db2.gz JQDNGKOVYVVHSW-HIFRSBDPSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576165328 949570010 /nfs/dbraw/zinc/57/00/10/949570010.db2.gz JQDNGKOVYVVHSW-HIFRSBDPSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574124448 949571523 /nfs/dbraw/zinc/57/15/23/949571523.db2.gz IDXBLBWESCBYNB-VXGBXAGGSA-N -1 1 387.448 0.207 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574124448 949571542 /nfs/dbraw/zinc/57/15/42/949571542.db2.gz IDXBLBWESCBYNB-VXGBXAGGSA-N -1 1 387.448 0.207 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712389 949579194 /nfs/dbraw/zinc/57/91/94/949579194.db2.gz RYHMGCQXGPWVTQ-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270244 949581756 /nfs/dbraw/zinc/58/17/56/949581756.db2.gz BWBJQHCNSXNGOF-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270244 949581774 /nfs/dbraw/zinc/58/17/74/949581774.db2.gz BWBJQHCNSXNGOF-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166675 949587376 /nfs/dbraw/zinc/58/73/76/949587376.db2.gz NISBLUXKQZNCBJ-JSGCOSHPSA-N -1 1 384.444 0.812 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574125476 949587936 /nfs/dbraw/zinc/58/79/36/949587936.db2.gz QFBFDHUYCOIFPR-CYBMUJFWSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574125476 949587954 /nfs/dbraw/zinc/58/79/54/949587954.db2.gz QFBFDHUYCOIFPR-CYBMUJFWSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125853 949594207 /nfs/dbraw/zinc/59/42/07/949594207.db2.gz UJRBTRIFDXZZFR-QWHCGFSZSA-N -1 1 384.448 0.479 20 0 GCADMM CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125851 949594626 /nfs/dbraw/zinc/59/46/26/949594626.db2.gz UJRBTRIFDXZZFR-CHWSQXEVSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713262 949597714 /nfs/dbraw/zinc/59/77/14/949597714.db2.gz WQZYMJPGUMATMV-SMDDNHRTSA-N -1 1 380.412 0.341 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1nccnc1-c1nnn[n-]1 ZINC001574713226 949601556 /nfs/dbraw/zinc/60/15/56/949601556.db2.gz WOFXBIATAHXNIX-FZMZJTMJSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1nccnc1-c1nn[n-]n1 ZINC001574713226 949601574 /nfs/dbraw/zinc/60/15/74/949601574.db2.gz WOFXBIATAHXNIX-FZMZJTMJSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575545341 949601746 /nfs/dbraw/zinc/60/17/46/949601746.db2.gz KWFLLNQUDKUYAP-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575545341 949601756 /nfs/dbraw/zinc/60/17/56/949601756.db2.gz KWFLLNQUDKUYAP-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H](NC(=O)CCCNC(=O)C1CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270856 949602626 /nfs/dbraw/zinc/60/26/26/949602626.db2.gz GGDGFJKIOJCSPY-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](NC(=O)CCCNC(=O)C1CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270856 949602630 /nfs/dbraw/zinc/60/26/30/949602630.db2.gz GGDGFJKIOJCSPY-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCCCC(N)=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874265 949609386 /nfs/dbraw/zinc/60/93/86/949609386.db2.gz FMPQQJIYSRMXNC-NWDGAFQWSA-N -1 1 387.448 0.176 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCCCC(N)=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874265 949609402 /nfs/dbraw/zinc/60/94/02/949609402.db2.gz FMPQQJIYSRMXNC-NWDGAFQWSA-N -1 1 387.448 0.176 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575546217 949610523 /nfs/dbraw/zinc/61/05/23/949610523.db2.gz PFTMQFROULHNPM-VFVRVIDISA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575546217 949610542 /nfs/dbraw/zinc/61/05/42/949610542.db2.gz PFTMQFROULHNPM-VFVRVIDISA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874365 949611280 /nfs/dbraw/zinc/61/12/80/949611280.db2.gz GCZYGHRKWXDROT-UWVGGRQHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874365 949611294 /nfs/dbraw/zinc/61/12/94/949611294.db2.gz GCZYGHRKWXDROT-UWVGGRQHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575546480 949614083 /nfs/dbraw/zinc/61/40/83/949614083.db2.gz QOCSVCBVTCTYCD-GLJUWKHASA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575546480 949614092 /nfs/dbraw/zinc/61/40/92/949614092.db2.gz QOCSVCBVTCTYCD-GLJUWKHASA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574476664 949616434 /nfs/dbraw/zinc/61/64/34/949616434.db2.gz JCBPGTDDYQYYKT-CHWSQXEVSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574476664 949616450 /nfs/dbraw/zinc/61/64/50/949616450.db2.gz JCBPGTDDYQYYKT-CHWSQXEVSA-N -1 1 385.432 0.341 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001574127698 949617465 /nfs/dbraw/zinc/61/74/65/949617465.db2.gz JBSMNAGLLANEGN-TZMCWYRMSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001574127698 949617479 /nfs/dbraw/zinc/61/74/79/949617479.db2.gz JBSMNAGLLANEGN-TZMCWYRMSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001574128060 949618133 /nfs/dbraw/zinc/61/81/33/949618133.db2.gz KSUQDFJBIBEODA-UHFFFAOYSA-N -1 1 376.465 0.962 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001574128060 949618143 /nfs/dbraw/zinc/61/81/43/949618143.db2.gz KSUQDFJBIBEODA-UHFFFAOYSA-N -1 1 376.465 0.962 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874731 949619557 /nfs/dbraw/zinc/61/95/57/949619557.db2.gz UKVGMXCPDFRSGX-NEPJUHHUSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874731 949619567 /nfs/dbraw/zinc/61/95/67/949619567.db2.gz UKVGMXCPDFRSGX-NEPJUHHUSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167963 949621442 /nfs/dbraw/zinc/62/14/42/949621442.db2.gz ATLQWVGRZYEZDE-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167963 949621449 /nfs/dbraw/zinc/62/14/49/949621449.db2.gz ATLQWVGRZYEZDE-YPMHNXCESA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576167977 949622430 /nfs/dbraw/zinc/62/24/30/949622430.db2.gz AXNXGRRUQPPSJG-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576167977 949622443 /nfs/dbraw/zinc/62/24/43/949622443.db2.gz AXNXGRRUQPPSJG-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167961 949622672 /nfs/dbraw/zinc/62/26/72/949622672.db2.gz ATLQWVGRZYEZDE-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167961 949622685 /nfs/dbraw/zinc/62/26/85/949622685.db2.gz ATLQWVGRZYEZDE-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576167976 949623931 /nfs/dbraw/zinc/62/39/31/949623931.db2.gz AXNXGRRUQPPSJG-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576167976 949623943 /nfs/dbraw/zinc/62/39/43/949623943.db2.gz AXNXGRRUQPPSJG-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574476877 949625353 /nfs/dbraw/zinc/62/53/53/949625353.db2.gz LDMRJYDUIHQVIR-RYUDHWBXSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574476877 949625368 /nfs/dbraw/zinc/62/53/68/949625368.db2.gz LDMRJYDUIHQVIR-RYUDHWBXSA-N -1 1 386.416 0.675 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001574129195 949634344 /nfs/dbraw/zinc/63/43/44/949634344.db2.gz RZOXICZDCKJVIV-OCCSQVGLSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574129195 949634358 /nfs/dbraw/zinc/63/43/58/949634358.db2.gz RZOXICZDCKJVIV-OCCSQVGLSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574129171 949636838 /nfs/dbraw/zinc/63/68/38/949636838.db2.gz RCROBEKNTCQSEJ-GFCCVEGCSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574129171 949636844 /nfs/dbraw/zinc/63/68/44/949636844.db2.gz RCROBEKNTCQSEJ-GFCCVEGCSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574957887 949637223 /nfs/dbraw/zinc/63/72/23/949637223.db2.gz BSYVINUNNWGIKB-FPMFFAJLSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574957887 949637232 /nfs/dbraw/zinc/63/72/32/949637232.db2.gz BSYVINUNNWGIKB-FPMFFAJLSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575272145 949638375 /nfs/dbraw/zinc/63/83/75/949638375.db2.gz NZNTVEIIUUNIJK-RQJHMYQMSA-N -1 1 386.869 0.937 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574129318 949639810 /nfs/dbraw/zinc/63/98/10/949639810.db2.gz TYDSKMWAVIEJRO-CHWSQXEVSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574129874 949647958 /nfs/dbraw/zinc/64/79/58/949647958.db2.gz ZVRHGXRSBCOVBA-UHFFFAOYSA-N -1 1 376.465 0.962 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574129874 949647967 /nfs/dbraw/zinc/64/79/67/949647967.db2.gz ZVRHGXRSBCOVBA-UHFFFAOYSA-N -1 1 376.465 0.962 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574958044 949648503 /nfs/dbraw/zinc/64/85/03/949648503.db2.gz DINNAHMPDGZEKY-LEWSCRJBSA-N -1 1 382.403 0.938 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575547986 949652478 /nfs/dbraw/zinc/65/24/78/949652478.db2.gz LKTIAQKKEUWLMS-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575547986 949652505 /nfs/dbraw/zinc/65/25/05/949652505.db2.gz LKTIAQKKEUWLMS-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272957 949654124 /nfs/dbraw/zinc/65/41/24/949654124.db2.gz SNVDIDLIWXBHGS-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575272957 949654131 /nfs/dbraw/zinc/65/41/31/949654131.db2.gz SNVDIDLIWXBHGS-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576168863 949654295 /nfs/dbraw/zinc/65/42/95/949654295.db2.gz CTUCCXJETRTPPM-AAEUAGOBSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576168863 949654303 /nfs/dbraw/zinc/65/43/03/949654303.db2.gz CTUCCXJETRTPPM-AAEUAGOBSA-N -1 1 383.416 0.926 20 0 GCADMM CC1(C(=O)N2CCN([C@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)CC2)CC1 ZINC001575548082 949654982 /nfs/dbraw/zinc/65/49/82/949654982.db2.gz QNRRJZYCMNRJCK-ZDUSSCGKSA-N -1 1 383.460 0.180 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573815605 949656345 /nfs/dbraw/zinc/65/63/45/949656345.db2.gz JCTYZQCLMZPWDQ-STQMWFEESA-N -1 1 388.476 0.838 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573815604 949657054 /nfs/dbraw/zinc/65/70/54/949657054.db2.gz JCTYZQCLMZPWDQ-QWHCGFSZSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169014 949658442 /nfs/dbraw/zinc/65/84/42/949658442.db2.gz DOHNULNWFJZDCV-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169014 949658452 /nfs/dbraw/zinc/65/84/52/949658452.db2.gz DOHNULNWFJZDCV-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574131571 949660006 /nfs/dbraw/zinc/66/00/06/949660006.db2.gz GTPBNFJDLDIQNO-SFHVURJKSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574131571 949660016 /nfs/dbraw/zinc/66/00/16/949660016.db2.gz GTPBNFJDLDIQNO-SFHVURJKSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273030 949660364 /nfs/dbraw/zinc/66/03/64/949660364.db2.gz UTGDXIKRQLMOQY-QWRGUYRKSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273030 949660375 /nfs/dbraw/zinc/66/03/75/949660375.db2.gz UTGDXIKRQLMOQY-QWRGUYRKSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@H](CC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574477523 949660955 /nfs/dbraw/zinc/66/09/55/949660955.db2.gz RZINBTYPOWBBMQ-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@H](CC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574477523 949660971 /nfs/dbraw/zinc/66/09/71/949660971.db2.gz RZINBTYPOWBBMQ-GFCCVEGCSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](CC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574477557 949665021 /nfs/dbraw/zinc/66/50/21/949665021.db2.gz SBWJHZOFZBNGGJ-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](CC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574477557 949665043 /nfs/dbraw/zinc/66/50/43/949665043.db2.gz SBWJHZOFZBNGGJ-LBPRGKRZSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575273323 949665712 /nfs/dbraw/zinc/66/57/12/949665712.db2.gz WBCQBFXJMGARNI-MNOVXSKESA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575273323 949665731 /nfs/dbraw/zinc/66/57/31/949665731.db2.gz WBCQBFXJMGARNI-MNOVXSKESA-N -1 1 375.437 0.220 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCOCC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877751 949672447 /nfs/dbraw/zinc/67/24/47/949672447.db2.gz MUHRPZWGALZVTH-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCOCC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877751 949672454 /nfs/dbraw/zinc/67/24/54/949672454.db2.gz MUHRPZWGALZVTH-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574477792 949679932 /nfs/dbraw/zinc/67/99/32/949679932.db2.gz RWNZHFAXMYFRPT-LBPRGKRZSA-N -1 1 386.416 0.098 20 0 GCADMM C[C@@H](CCNC(=O)C(=O)N1CCC[C@H](C)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576169527 949681807 /nfs/dbraw/zinc/68/18/07/949681807.db2.gz YNRYAMRDCIOAHG-RYUDHWBXSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CCNC(=O)C(=O)N1CCC[C@H](C)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576169527 949681820 /nfs/dbraw/zinc/68/18/20/949681820.db2.gz YNRYAMRDCIOAHG-RYUDHWBXSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574477940 949682663 /nfs/dbraw/zinc/68/26/63/949682663.db2.gz WMDNTZBQNLXPCX-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574477940 949682677 /nfs/dbraw/zinc/68/26/77/949682677.db2.gz WMDNTZBQNLXPCX-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574477936 949683718 /nfs/dbraw/zinc/68/37/18/949683718.db2.gz WMDNTZBQNLXPCX-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574477936 949683737 /nfs/dbraw/zinc/68/37/37/949683737.db2.gz WMDNTZBQNLXPCX-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001574478002 949687682 /nfs/dbraw/zinc/68/76/82/949687682.db2.gz UFBVWUILUBVCEL-JSGCOSHPSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001574478002 949687691 /nfs/dbraw/zinc/68/76/91/949687691.db2.gz UFBVWUILUBVCEL-JSGCOSHPSA-N -1 1 390.448 0.095 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)CC(F)(F)C1 ZINC001575553632 949689728 /nfs/dbraw/zinc/68/97/28/949689728.db2.gz NNQNXQIMCVOYAN-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)CC(F)(F)C1 ZINC001575553632 949689744 /nfs/dbraw/zinc/68/97/44/949689744.db2.gz NNQNXQIMCVOYAN-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575554286 949691867 /nfs/dbraw/zinc/69/18/67/949691867.db2.gz QSWSQFMEHZYNOQ-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575554286 949691876 /nfs/dbraw/zinc/69/18/76/949691876.db2.gz QSWSQFMEHZYNOQ-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880234 949700199 /nfs/dbraw/zinc/70/01/99/949700199.db2.gz SOCAFWVDTFLUFD-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880234 949700210 /nfs/dbraw/zinc/70/02/10/949700210.db2.gz SOCAFWVDTFLUFD-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880586 949702145 /nfs/dbraw/zinc/70/21/45/949702145.db2.gz UPFBCHZWORQXDF-ZJUUUORDSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CCOC1 ZINC001575557135 949709042 /nfs/dbraw/zinc/70/90/42/949709042.db2.gz BDZSQZWHNZDLSJ-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CCOC1 ZINC001575557135 949709056 /nfs/dbraw/zinc/70/90/56/949709056.db2.gz BDZSQZWHNZDLSJ-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574959189 949709392 /nfs/dbraw/zinc/70/93/92/949709392.db2.gz ZZCAJBYNKSDROR-FZVNPBSJSA-N -1 1 383.865 0.954 20 0 GCADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574959189 949709402 /nfs/dbraw/zinc/70/94/02/949709402.db2.gz ZZCAJBYNKSDROR-FZVNPBSJSA-N -1 1 383.865 0.954 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001573818037 949711783 /nfs/dbraw/zinc/71/17/83/949711783.db2.gz FHVBZWPFKVUGJO-GFCCVEGCSA-N -1 1 385.407 0.869 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1ccnc1 ZINC001573817999 949713065 /nfs/dbraw/zinc/71/30/65/949713065.db2.gz DMMKIRWNTUATOZ-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1ccnc1 ZINC001573817999 949713076 /nfs/dbraw/zinc/71/30/76/949713076.db2.gz DMMKIRWNTUATOZ-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574959399 949713350 /nfs/dbraw/zinc/71/33/50/949713350.db2.gz RHWCEXMCZCJLQY-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574959399 949713362 /nfs/dbraw/zinc/71/33/62/949713362.db2.gz RHWCEXMCZCJLQY-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574478507 949713437 /nfs/dbraw/zinc/71/34/37/949713437.db2.gz ZVONKCZZKOQGLM-OLZOCXBDSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574478507 949713454 /nfs/dbraw/zinc/71/34/54/949713454.db2.gz ZVONKCZZKOQGLM-OLZOCXBDSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574959442 949714834 /nfs/dbraw/zinc/71/48/34/949714834.db2.gz SHMFHBKUPCHXOM-KWCYVHTRSA-N -1 1 386.460 0.884 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574959442 949714848 /nfs/dbraw/zinc/71/48/48/949714848.db2.gz SHMFHBKUPCHXOM-KWCYVHTRSA-N -1 1 386.460 0.884 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574959448 949715294 /nfs/dbraw/zinc/71/52/94/949715294.db2.gz SKIDPAQKZDVYTN-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574959448 949715326 /nfs/dbraw/zinc/71/53/26/949715326.db2.gz SKIDPAQKZDVYTN-KWCYVHTRSA-N -1 1 379.428 0.796 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1F ZINC001573818091 949716120 /nfs/dbraw/zinc/71/61/20/949716120.db2.gz GAUXISQDJWRGJX-LLVKDONJSA-N -1 1 385.407 0.869 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881307 949717708 /nfs/dbraw/zinc/71/77/08/949717708.db2.gz XGWKVZGIEJQHRF-TZMCWYRMSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881307 949717727 /nfs/dbraw/zinc/71/77/27/949717727.db2.gz XGWKVZGIEJQHRF-TZMCWYRMSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574959847 949717826 /nfs/dbraw/zinc/71/78/26/949717826.db2.gz VFELAOYEMYKVAC-FPMFFAJLSA-N -1 1 386.460 0.884 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574959847 949717842 /nfs/dbraw/zinc/71/78/42/949717842.db2.gz VFELAOYEMYKVAC-FPMFFAJLSA-N -1 1 386.460 0.884 20 0 GCADMM C[C@@]1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)CCOC1 ZINC001575557379 949721060 /nfs/dbraw/zinc/72/10/60/949721060.db2.gz INBZSCHQPLUXNI-FZKQIMNGSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574717245 949728968 /nfs/dbraw/zinc/72/89/68/949728968.db2.gz OKGVPWRTUNFRHF-CYBMUJFWSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881585 949729225 /nfs/dbraw/zinc/72/92/25/949729225.db2.gz ZIXPIEHMKBPGEF-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881585 949729236 /nfs/dbraw/zinc/72/92/36/949729236.db2.gz ZIXPIEHMKBPGEF-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573818460 949732175 /nfs/dbraw/zinc/73/21/75/949732175.db2.gz LUULPLJDBDHXJM-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573818460 949732193 /nfs/dbraw/zinc/73/21/93/949732193.db2.gz LUULPLJDBDHXJM-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cccn1 ZINC001573818458 949732353 /nfs/dbraw/zinc/73/23/53/949732353.db2.gz LUKITONBTIYKGO-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cccn1 ZINC001573818458 949732364 /nfs/dbraw/zinc/73/23/64/949732364.db2.gz LUKITONBTIYKGO-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCOC1 ZINC001575558702 949743758 /nfs/dbraw/zinc/74/37/58/949743758.db2.gz QTTSJKMZMXTMPF-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574136339 949744555 /nfs/dbraw/zinc/74/45/55/949744555.db2.gz ONPZMHCEHXURSV-KGLIPLIRSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574136339 949744575 /nfs/dbraw/zinc/74/45/75/949744575.db2.gz ONPZMHCEHXURSV-KGLIPLIRSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574136380 949744720 /nfs/dbraw/zinc/74/47/20/949744720.db2.gz PAQYXUFHIKRMDG-KBPBESRZSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1cn[nH]c1 ZINC001573819006 949745430 /nfs/dbraw/zinc/74/54/30/949745430.db2.gz QQJXSIOUFSPNRM-ZDUSSCGKSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001573819006 949745442 /nfs/dbraw/zinc/74/54/42/949745442.db2.gz QQJXSIOUFSPNRM-ZDUSSCGKSA-N -1 1 384.448 0.955 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882085 949751223 /nfs/dbraw/zinc/75/12/23/949751223.db2.gz GCEFGYUMMFCQIQ-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882085 949751231 /nfs/dbraw/zinc/75/12/31/949751231.db2.gz GCEFGYUMMFCQIQ-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573819289 949751495 /nfs/dbraw/zinc/75/14/95/949751495.db2.gz SKKUIZXNOFDCFJ-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573819289 949751509 /nfs/dbraw/zinc/75/15/09/949751509.db2.gz SKKUIZXNOFDCFJ-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574480511 949752446 /nfs/dbraw/zinc/75/24/46/949752446.db2.gz JHYQIEVTCHTPIF-XIKOKIGWSA-N -1 1 386.460 0.280 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574480498 949753397 /nfs/dbraw/zinc/75/33/97/949753397.db2.gz JHUQCJFFITWHRV-NXEZZACHSA-N -1 1 384.366 0.928 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cncc(F)c1 ZINC001573819359 949754925 /nfs/dbraw/zinc/75/49/25/949754925.db2.gz UGTCAEALZJESMS-LBPRGKRZSA-N -1 1 385.407 0.869 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574137508 949764539 /nfs/dbraw/zinc/76/45/39/949764539.db2.gz VFIPVMVTFDOICZ-KBPBESRZSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574137508 949764557 /nfs/dbraw/zinc/76/45/57/949764557.db2.gz VFIPVMVTFDOICZ-KBPBESRZSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574481380 949774007 /nfs/dbraw/zinc/77/40/07/949774007.db2.gz PAMFORQMTGTWTD-KBPBESRZSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574718403 949775503 /nfs/dbraw/zinc/77/55/03/949775503.db2.gz WJHCWBYDHFTTSW-SSDOTTSWSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574718403 949775520 /nfs/dbraw/zinc/77/55/20/949775520.db2.gz WJHCWBYDHFTTSW-SSDOTTSWSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574481369 949775734 /nfs/dbraw/zinc/77/57/34/949775734.db2.gz OXGNAKHROQBTFU-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574481369 949775755 /nfs/dbraw/zinc/77/57/55/949775755.db2.gz OXGNAKHROQBTFU-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574137917 949776846 /nfs/dbraw/zinc/77/68/46/949776846.db2.gz YYCFPOQQQIRVIM-QWHCGFSZSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574137917 949776882 /nfs/dbraw/zinc/77/68/82/949776882.db2.gz YYCFPOQQQIRVIM-QWHCGFSZSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574718404 949778809 /nfs/dbraw/zinc/77/88/09/949778809.db2.gz WJHCWBYDHFTTSW-ZETCQYMHSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574718404 949778826 /nfs/dbraw/zinc/77/88/26/949778826.db2.gz WJHCWBYDHFTTSW-ZETCQYMHSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718590 949790331 /nfs/dbraw/zinc/79/03/31/949790331.db2.gz ZSTOGKDQZYCZQV-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718590 949790342 /nfs/dbraw/zinc/79/03/42/949790342.db2.gz ZSTOGKDQZYCZQV-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574481689 949795058 /nfs/dbraw/zinc/79/50/58/949795058.db2.gz TZPQVJARNOACNC-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574481689 949795070 /nfs/dbraw/zinc/79/50/70/949795070.db2.gz TZPQVJARNOACNC-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573822565 949795475 /nfs/dbraw/zinc/79/54/75/949795475.db2.gz JUDCNFLOQMBCLP-GHMZBOCLSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573822565 949795488 /nfs/dbraw/zinc/79/54/88/949795488.db2.gz JUDCNFLOQMBCLP-GHMZBOCLSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574138693 949795697 /nfs/dbraw/zinc/79/56/97/949795697.db2.gz FGGDYDDRVZGXNV-SCLBCKFNSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574138693 949795707 /nfs/dbraw/zinc/79/57/07/949795707.db2.gz FGGDYDDRVZGXNV-SCLBCKFNSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882890 949797867 /nfs/dbraw/zinc/79/78/67/949797867.db2.gz ORYXXQCOHCFBIY-ZYHUDNBSSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574965445 949798754 /nfs/dbraw/zinc/79/87/54/949798754.db2.gz FYGQWRZENBHHJA-QYNIQEEDSA-N -1 1 384.853 0.262 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574965445 949798765 /nfs/dbraw/zinc/79/87/65/949798765.db2.gz FYGQWRZENBHHJA-QYNIQEEDSA-N -1 1 384.853 0.262 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573822744 949800545 /nfs/dbraw/zinc/80/05/45/949800545.db2.gz LZGDURYWEQUUFT-GHMZBOCLSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573822744 949800570 /nfs/dbraw/zinc/80/05/70/949800570.db2.gz LZGDURYWEQUUFT-GHMZBOCLSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574965337 949802143 /nfs/dbraw/zinc/80/21/43/949802143.db2.gz FUSYGLLWYLDJMD-XVMARJQXSA-N -1 1 384.853 0.262 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574965337 949802163 /nfs/dbraw/zinc/80/21/63/949802163.db2.gz FUSYGLLWYLDJMD-XVMARJQXSA-N -1 1 384.853 0.262 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172596 949810170 /nfs/dbraw/zinc/81/01/70/949810170.db2.gz XUWDXTXATJHCST-AAEUAGOBSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172558 949810403 /nfs/dbraw/zinc/81/04/03/949810403.db2.gz XDPQRQILCICEBS-MFKMUULPSA-N -1 1 383.420 0.518 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574139558 949817285 /nfs/dbraw/zinc/81/72/85/949817285.db2.gz KNDILIQNWIAYOT-FZKQIMNGSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574139558 949817303 /nfs/dbraw/zinc/81/73/03/949817303.db2.gz KNDILIQNWIAYOT-FZKQIMNGSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574482051 949818428 /nfs/dbraw/zinc/81/84/28/949818428.db2.gz ZTFXLLGXQAEOGV-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574482051 949818447 /nfs/dbraw/zinc/81/84/47/949818447.db2.gz ZTFXLLGXQAEOGV-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001574482070 949819400 /nfs/dbraw/zinc/81/94/00/949819400.db2.gz ZZHBTQGMGZNDKT-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001574482070 949819411 /nfs/dbraw/zinc/81/94/11/949819411.db2.gz ZZHBTQGMGZNDKT-GFCCVEGCSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574482075 949820021 /nfs/dbraw/zinc/82/00/21/949820021.db2.gz ZZKOQUMUYMVMGE-LBPRGKRZSA-N -1 1 382.432 0.329 20 0 GCADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575562300 949820536 /nfs/dbraw/zinc/82/05/36/949820536.db2.gz FIVHEVSXOVNNTC-QWHCGFSZSA-N -1 1 386.460 0.735 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574139560 949821084 /nfs/dbraw/zinc/82/10/84/949821084.db2.gz KNDILIQNWIAYOT-UGSOOPFHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574139560 949821105 /nfs/dbraw/zinc/82/11/05/949821105.db2.gz KNDILIQNWIAYOT-UGSOOPFHSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281889 949821470 /nfs/dbraw/zinc/82/14/70/949821470.db2.gz HUSYPQBMCKBOCZ-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281889 949821486 /nfs/dbraw/zinc/82/14/86/949821486.db2.gz HUSYPQBMCKBOCZ-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573823231 949821660 /nfs/dbraw/zinc/82/16/60/949821660.db2.gz RXGYKJWJXLVSGW-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573823231 949821687 /nfs/dbraw/zinc/82/16/87/949821687.db2.gz RXGYKJWJXLVSGW-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574721829 949824642 /nfs/dbraw/zinc/82/46/42/949824642.db2.gz OJSOZSAAWFRCQG-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574721829 949824657 /nfs/dbraw/zinc/82/46/57/949824657.db2.gz OJSOZSAAWFRCQG-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001574483628 949832263 /nfs/dbraw/zinc/83/22/63/949832263.db2.gz GHPBMJOHHSVOJJ-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001574483628 949832287 /nfs/dbraw/zinc/83/22/87/949832287.db2.gz GHPBMJOHHSVOJJ-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574966109 949837359 /nfs/dbraw/zinc/83/73/59/949837359.db2.gz USJHJHQLCWHVLS-ZCFIWIBFSA-N -1 1 382.310 0.051 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575883985 949838425 /nfs/dbraw/zinc/83/84/25/949838425.db2.gz UBSMBUKPZKFCMB-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884234 949840293 /nfs/dbraw/zinc/84/02/93/949840293.db2.gz HRIQQFGQWDRJJZ-GXSJLCMTSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@H](CN(C)C(=O)CCOC1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722755 949843255 /nfs/dbraw/zinc/84/32/55/949843255.db2.gz WXLLYNNFDUGFKQ-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CN(C)C(=O)CCOC1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722755 949843269 /nfs/dbraw/zinc/84/32/69/949843269.db2.gz WXLLYNNFDUGFKQ-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3ccc(-c4nnn[n-]4)nn3)(C1)C2 ZINC001573824390 949851966 /nfs/dbraw/zinc/85/19/66/949851966.db2.gz DVTNSTDZWDVUFT-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3ccc(-c4nn[n-]n4)nn3)(C1)C2 ZINC001573824390 949851991 /nfs/dbraw/zinc/85/19/91/949851991.db2.gz DVTNSTDZWDVUFT-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574966734 949853146 /nfs/dbraw/zinc/85/31/46/949853146.db2.gz BPCFDPUSGCWKKQ-JTQLQIEISA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574966734 949853166 /nfs/dbraw/zinc/85/31/66/949853166.db2.gz BPCFDPUSGCWKKQ-JTQLQIEISA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574967011 949858988 /nfs/dbraw/zinc/85/89/88/949858988.db2.gz DKVQWWYHBSKEHB-JTQLQIEISA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574967011 949859010 /nfs/dbraw/zinc/85/90/10/949859010.db2.gz DKVQWWYHBSKEHB-JTQLQIEISA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574484126 949861255 /nfs/dbraw/zinc/86/12/55/949861255.db2.gz VYWPZUSQYQTWNB-DGCLKSJQSA-N -1 1 382.432 0.019 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574484190 949864768 /nfs/dbraw/zinc/86/47/68/949864768.db2.gz FFJVMGVVNKYMFF-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574484190 949864794 /nfs/dbraw/zinc/86/47/94/949864794.db2.gz FFJVMGVVNKYMFF-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576177984 949871850 /nfs/dbraw/zinc/87/18/50/949871850.db2.gz FIADZRQKIMIEOQ-QWRGUYRKSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576177984 949871871 /nfs/dbraw/zinc/87/18/71/949871871.db2.gz FIADZRQKIMIEOQ-QWRGUYRKSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574967285 949872535 /nfs/dbraw/zinc/87/25/35/949872535.db2.gz GMNUXIFFTRWPFT-JTQLQIEISA-N -1 1 382.432 0.134 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574967285 949872562 /nfs/dbraw/zinc/87/25/62/949872562.db2.gz GMNUXIFFTRWPFT-JTQLQIEISA-N -1 1 382.432 0.134 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1nccs1 ZINC001574724329 949873423 /nfs/dbraw/zinc/87/34/23/949873423.db2.gz HBWXGRWYROGQGI-VIFPVBQESA-N -1 1 390.429 0.238 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283596 949876487 /nfs/dbraw/zinc/87/64/87/949876487.db2.gz QFUJUHQEFHZPPP-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283596 949876511 /nfs/dbraw/zinc/87/65/11/949876511.db2.gz QFUJUHQEFHZPPP-NWDGAFQWSA-N -1 1 383.416 0.574 20 0 GCADMM CC(C)(C)C1CC(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573825430 949877079 /nfs/dbraw/zinc/87/70/79/949877079.db2.gz VKICQVBLCVJNQI-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM CC(C)(C)C1CC(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573825430 949877106 /nfs/dbraw/zinc/87/71/06/949877106.db2.gz VKICQVBLCVJNQI-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574967924 949877073 /nfs/dbraw/zinc/87/70/73/949877073.db2.gz JXHWKSJFTIJUCL-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574967924 949877099 /nfs/dbraw/zinc/87/70/99/949877099.db2.gz JXHWKSJFTIJUCL-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576178204 949879861 /nfs/dbraw/zinc/87/98/61/949879861.db2.gz GGSQJFDZQVAJIH-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576178204 949879883 /nfs/dbraw/zinc/87/98/83/949879883.db2.gz GGSQJFDZQVAJIH-WDEREUQCSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575565367 949880301 /nfs/dbraw/zinc/88/03/01/949880301.db2.gz VZEOLVAEMBOQJA-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575565367 949880322 /nfs/dbraw/zinc/88/03/22/949880322.db2.gz VZEOLVAEMBOQJA-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576178202 949882933 /nfs/dbraw/zinc/88/29/33/949882933.db2.gz GGSQJFDZQVAJIH-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576178202 949882956 /nfs/dbraw/zinc/88/29/56/949882956.db2.gz GGSQJFDZQVAJIH-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)C1 ZINC001573825535 949884638 /nfs/dbraw/zinc/88/46/38/949884638.db2.gz ZPXMUWJCWBIANT-QUINOFQRSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)C1 ZINC001573825535 949884660 /nfs/dbraw/zinc/88/46/60/949884660.db2.gz ZPXMUWJCWBIANT-QUINOFQRSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178463 949885843 /nfs/dbraw/zinc/88/58/43/949885843.db2.gz BPPBJNHIRXNYOO-DGCLKSJQSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178480 949886303 /nfs/dbraw/zinc/88/63/03/949886303.db2.gz BQCIGTOTCAQJMP-ZWNOBZJWSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178480 949886323 /nfs/dbraw/zinc/88/63/23/949886323.db2.gz BQCIGTOTCAQJMP-ZWNOBZJWSA-N -1 1 383.420 0.138 20 0 GCADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573825704 949887660 /nfs/dbraw/zinc/88/76/60/949887660.db2.gz BGQYOPPESBITCZ-MFKMUULPSA-N -1 1 391.432 0.087 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178495 949890666 /nfs/dbraw/zinc/89/06/66/949890666.db2.gz BRYUHSRQRKMPAC-ZYHUDNBSSA-N -1 1 385.457 0.888 20 0 GCADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573825705 949891031 /nfs/dbraw/zinc/89/10/31/949891031.db2.gz BGQYOPPESBITCZ-ZWNOBZJWSA-N -1 1 391.432 0.087 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574968334 949892992 /nfs/dbraw/zinc/89/29/92/949892992.db2.gz NWLZSUNTCPTATH-JTQLQIEISA-N -1 1 382.432 0.134 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574484657 949894265 /nfs/dbraw/zinc/89/42/65/949894265.db2.gz LLIMGBDLCRBXQL-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574484657 949894282 /nfs/dbraw/zinc/89/42/82/949894282.db2.gz LLIMGBDLCRBXQL-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178806 949897693 /nfs/dbraw/zinc/89/76/93/949897693.db2.gz CVJCNQIDKTVHLV-ONGXEEELSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178806 949897714 /nfs/dbraw/zinc/89/77/14/949897714.db2.gz CVJCNQIDKTVHLV-ONGXEEELSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001574484725 949901489 /nfs/dbraw/zinc/90/14/89/949901489.db2.gz MRHMYWVZSJIRNI-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001574484725 949901509 /nfs/dbraw/zinc/90/15/09/949901509.db2.gz MRHMYWVZSJIRNI-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001576178838 949903190 /nfs/dbraw/zinc/90/31/90/949903190.db2.gz CXECAASOYFDRFW-BXKDBHETSA-N -1 1 386.420 0.049 20 0 GCADMM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284476 949904919 /nfs/dbraw/zinc/90/49/19/949904919.db2.gz ISDOXORCKHILCS-RYUDHWBXSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284476 949904934 /nfs/dbraw/zinc/90/49/34/949904934.db2.gz ISDOXORCKHILCS-RYUDHWBXSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179082 949909285 /nfs/dbraw/zinc/90/92/85/949909285.db2.gz DOCIBFIGMQYVED-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179082 949909299 /nfs/dbraw/zinc/90/92/99/949909299.db2.gz DOCIBFIGMQYVED-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574968785 949909930 /nfs/dbraw/zinc/90/99/30/949909930.db2.gz SFKPJOCXBNYHHF-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574968785 949909941 /nfs/dbraw/zinc/90/99/41/949909941.db2.gz SFKPJOCXBNYHHF-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)CCOC1 ZINC001575569140 949910453 /nfs/dbraw/zinc/91/04/53/949910453.db2.gz GSUFMCLGJGLYER-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574968832 949915429 /nfs/dbraw/zinc/91/54/29/949915429.db2.gz TXKXIAVEWVYYMI-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574968832 949915445 /nfs/dbraw/zinc/91/54/45/949915445.db2.gz TXKXIAVEWVYYMI-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576179510 949917405 /nfs/dbraw/zinc/91/74/05/949917405.db2.gz AGBZAFMPYRWCEJ-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575284892 949920133 /nfs/dbraw/zinc/92/01/33/949920133.db2.gz XACHTYUZNSBYQR-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575284892 949920154 /nfs/dbraw/zinc/92/01/54/949920154.db2.gz XACHTYUZNSBYQR-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM Cn1ncc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1I ZINC000379231568 971619073 /nfs/dbraw/zinc/61/90/73/971619073.db2.gz ZSSARWYAXMLBRL-QMMMGPOBSA-N -1 1 389.153 0.174 20 0 GCADMM C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575285031 949928504 /nfs/dbraw/zinc/92/85/04/949928504.db2.gz XVELUKWQWBESPV-UWVGGRQHSA-N -1 1 383.416 0.492 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574969057 949929887 /nfs/dbraw/zinc/92/98/87/949929887.db2.gz YTQNETCMDCXLCL-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574969057 949929900 /nfs/dbraw/zinc/92/99/00/949929900.db2.gz YTQNETCMDCXLCL-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180027 949932696 /nfs/dbraw/zinc/93/26/96/949932696.db2.gz GRBJVWFLQOBZII-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180027 949932707 /nfs/dbraw/zinc/93/27/07/949932707.db2.gz GRBJVWFLQOBZII-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180011 949934726 /nfs/dbraw/zinc/93/47/26/949934726.db2.gz GQSDHZOIJSJXID-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180011 949934744 /nfs/dbraw/zinc/93/47/44/949934744.db2.gz GQSDHZOIJSJXID-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575285135 949935117 /nfs/dbraw/zinc/93/51/17/949935117.db2.gz ZBTHFHZJXXCVCO-WDEREUQCSA-N -1 1 386.391 0.602 20 0 GCADMM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726581 949943225 /nfs/dbraw/zinc/94/32/25/949943225.db2.gz KHTYTOCFZPZMMA-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726581 949943236 /nfs/dbraw/zinc/94/32/36/949943236.db2.gz KHTYTOCFZPZMMA-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727027 949951392 /nfs/dbraw/zinc/95/13/92/949951392.db2.gz NQOBICDCAWMIPG-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727027 949951411 /nfs/dbraw/zinc/95/14/11/949951411.db2.gz NQOBICDCAWMIPG-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180534 949958816 /nfs/dbraw/zinc/95/88/16/949958816.db2.gz OUYQBHGEXHNFPX-BXKDBHETSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180534 949958839 /nfs/dbraw/zinc/95/88/39/949958839.db2.gz OUYQBHGEXHNFPX-BXKDBHETSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180554 949958891 /nfs/dbraw/zinc/95/88/91/949958891.db2.gz FDAFUCACPAIZPZ-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180554 949958915 /nfs/dbraw/zinc/95/89/15/949958915.db2.gz FDAFUCACPAIZPZ-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285714 949958968 /nfs/dbraw/zinc/95/89/68/949958968.db2.gz QGKBYXYXLFDXNM-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285714 949958984 /nfs/dbraw/zinc/95/89/84/949958984.db2.gz QGKBYXYXLFDXNM-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180540 949959409 /nfs/dbraw/zinc/95/94/09/949959409.db2.gz OUYQBHGEXHNFPX-SKDRFNHKSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180540 949959428 /nfs/dbraw/zinc/95/94/28/949959428.db2.gz OUYQBHGEXHNFPX-SKDRFNHKSA-N -1 1 386.445 0.861 20 0 GCADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C1(C)CCOCC1 ZINC001575571988 949964202 /nfs/dbraw/zinc/96/42/02/949964202.db2.gz CAKOYWYVINPGDO-GFCCVEGCSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C1(C)CCOCC1 ZINC001575572094 949967949 /nfs/dbraw/zinc/96/79/49/949967949.db2.gz CZYOBTBUBIOGPR-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C1(C)CCOCC1 ZINC001575572094 949967964 /nfs/dbraw/zinc/96/79/64/949967964.db2.gz CZYOBTBUBIOGPR-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574727586 949970495 /nfs/dbraw/zinc/97/04/95/949970495.db2.gz VTRLERYYKQCKLI-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574727586 949970516 /nfs/dbraw/zinc/97/05/16/949970516.db2.gz VTRLERYYKQCKLI-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575286173 949974315 /nfs/dbraw/zinc/97/43/15/949974315.db2.gz UBMUJFRQJKIDPV-RYUDHWBXSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575286173 949974329 /nfs/dbraw/zinc/97/43/29/949974329.db2.gz UBMUJFRQJKIDPV-RYUDHWBXSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC001575572357 949974246 /nfs/dbraw/zinc/97/42/46/949974246.db2.gz GMNAOTJFJGDMIM-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC001575572357 949974265 /nfs/dbraw/zinc/97/42/65/949974265.db2.gz GMNAOTJFJGDMIM-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727746 949978904 /nfs/dbraw/zinc/97/89/04/949978904.db2.gz YVLAJGWPGIJRLF-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727746 949978929 /nfs/dbraw/zinc/97/89/29/949978929.db2.gz YVLAJGWPGIJRLF-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180933 949982583 /nfs/dbraw/zinc/98/25/83/949982583.db2.gz GBULJVXQXIUHOD-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180933 949982598 /nfs/dbraw/zinc/98/25/98/949982598.db2.gz GBULJVXQXIUHOD-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181012 949985617 /nfs/dbraw/zinc/98/56/17/949985617.db2.gz RDPYXKZNPIRWLV-JQWIXIFHSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181012 949985634 /nfs/dbraw/zinc/98/56/34/949985634.db2.gz RDPYXKZNPIRWLV-JQWIXIFHSA-N -1 1 383.420 0.518 20 0 GCADMM CC(C)(C)CC(=O)N1CCC(N(CCO)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573831378 949994926 /nfs/dbraw/zinc/99/49/26/949994926.db2.gz WRQQVGWXERQIMR-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC(N(CCO)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573831378 949994942 /nfs/dbraw/zinc/99/49/42/949994942.db2.gz WRQQVGWXERQIMR-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181334 949998335 /nfs/dbraw/zinc/99/83/35/949998335.db2.gz TXFFEEOOJIOCDF-CMPLNLGQSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891353 950000281 /nfs/dbraw/zinc/00/02/81/950000281.db2.gz IRQKRKMEUJCDEY-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891353 950000300 /nfs/dbraw/zinc/00/03/00/950000300.db2.gz IRQKRKMEUJCDEY-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574490571 950001163 /nfs/dbraw/zinc/00/11/63/950001163.db2.gz VJUPLKOPZXKBGH-AAEUAGOBSA-N -1 1 382.432 0.233 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001573831431 950003448 /nfs/dbraw/zinc/00/34/48/950003448.db2.gz YGIUSEVCBQLAQF-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001573831431 950003466 /nfs/dbraw/zinc/00/34/66/950003466.db2.gz YGIUSEVCBQLAQF-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574728742 950005568 /nfs/dbraw/zinc/00/55/68/950005568.db2.gz IVDXJTVTYCPZMT-SNVBAGLBSA-N -1 1 388.382 0.858 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181605 950012004 /nfs/dbraw/zinc/01/20/04/950012004.db2.gz VDFCWSXORXBCNL-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181605 950012024 /nfs/dbraw/zinc/01/20/24/950012024.db2.gz VDFCWSXORXBCNL-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891521 950012070 /nfs/dbraw/zinc/01/20/70/950012070.db2.gz KSWQHCNBZMDESQ-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181837 950022436 /nfs/dbraw/zinc/02/24/36/950022436.db2.gz MUVLGPRVQBFQFH-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181837 950022454 /nfs/dbraw/zinc/02/24/54/950022454.db2.gz MUVLGPRVQBFQFH-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](CO)Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001575574525 950023913 /nfs/dbraw/zinc/02/39/13/950023913.db2.gz VVADLQQJOZXZFU-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182212 950038553 /nfs/dbraw/zinc/03/85/53/950038553.db2.gz NPCLNGMOPFPRTC-TZMCWYRMSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574731349 950045952 /nfs/dbraw/zinc/04/59/52/950045952.db2.gz CSRQZKJFHRLITH-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574731349 950045976 /nfs/dbraw/zinc/04/59/76/950045976.db2.gz CSRQZKJFHRLITH-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC001574731347 950047177 /nfs/dbraw/zinc/04/71/77/950047177.db2.gz CSAZQPBANBSNAF-VIFPVBQESA-N -1 1 379.425 0.977 20 0 GCADMM C[C@@H](CN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001574731347 950047199 /nfs/dbraw/zinc/04/71/99/950047199.db2.gz CSAZQPBANBSNAF-VIFPVBQESA-N -1 1 379.425 0.977 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574492026 950053861 /nfs/dbraw/zinc/05/38/61/950053861.db2.gz IHPHCTMAYCXWAP-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574492026 950053883 /nfs/dbraw/zinc/05/38/83/950053883.db2.gz IHPHCTMAYCXWAP-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182598 950058918 /nfs/dbraw/zinc/05/89/18/950058918.db2.gz ORSNZGKOCAEHEG-VXGBXAGGSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574492163 950069126 /nfs/dbraw/zinc/06/91/26/950069126.db2.gz KAFTVTQQIISMMV-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574492163 950069147 /nfs/dbraw/zinc/06/91/47/950069147.db2.gz KAFTVTQQIISMMV-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182932 950070278 /nfs/dbraw/zinc/07/02/78/950070278.db2.gz QAJSUFIXKFKMNG-GXSJLCMTSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182932 950070299 /nfs/dbraw/zinc/07/02/99/950070299.db2.gz QAJSUFIXKFKMNG-GXSJLCMTSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001574492282 950072908 /nfs/dbraw/zinc/07/29/08/950072908.db2.gz LSRTYGIVOYKHEC-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001574492282 950072929 /nfs/dbraw/zinc/07/29/29/950072929.db2.gz LSRTYGIVOYKHEC-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183077 950075653 /nfs/dbraw/zinc/07/56/53/950075653.db2.gz QSXVWNXWSRFRLD-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183077 950075673 /nfs/dbraw/zinc/07/56/73/950075673.db2.gz QSXVWNXWSRFRLD-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@]1(C(=O)NC[C@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCOC1 ZINC001575576610 950076950 /nfs/dbraw/zinc/07/69/50/950076950.db2.gz RYMRMKLQSBFANF-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@]1(C(=O)NC[C@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCOC1 ZINC001575576610 950076971 /nfs/dbraw/zinc/07/69/71/950076971.db2.gz RYMRMKLQSBFANF-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574492355 950079382 /nfs/dbraw/zinc/07/93/82/950079382.db2.gz MHAHNZWRSZRTAS-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574492443 950081647 /nfs/dbraw/zinc/08/16/47/950081647.db2.gz MURMWPKOQKMLLL-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574492443 950081665 /nfs/dbraw/zinc/08/16/65/950081665.db2.gz MURMWPKOQKMLLL-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574732990 950085486 /nfs/dbraw/zinc/08/54/86/950085486.db2.gz OTWGGULUYFYOJV-LURJTMIESA-N -1 1 382.841 0.596 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1cccn1 ZINC001574492630 950097311 /nfs/dbraw/zinc/09/73/11/950097311.db2.gz CETUGMZZUVULNJ-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1cccn1 ZINC001574492630 950097333 /nfs/dbraw/zinc/09/73/33/950097333.db2.gz CETUGMZZUVULNJ-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574492657 950100817 /nfs/dbraw/zinc/10/08/17/950100817.db2.gz OEBOISUXHMARCO-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574492657 950100832 /nfs/dbraw/zinc/10/08/32/950100832.db2.gz OEBOISUXHMARCO-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183802 950106007 /nfs/dbraw/zinc/10/60/07/950106007.db2.gz REMXBYBDVDMNLA-AAEUAGOBSA-N -1 1 383.416 0.206 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCCCC2)CCOC1 ZINC001575582302 950111581 /nfs/dbraw/zinc/11/15/81/950111581.db2.gz ILOZGSIXFINOGI-KRWDZBQOSA-N -1 1 386.460 0.736 20 0 GCADMM C[C@@H](CC(=O)NC1(CO)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574493001 950112127 /nfs/dbraw/zinc/11/21/27/950112127.db2.gz QFLKEFOECXAQGZ-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CC(=O)NC1(CO)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574493001 950112140 /nfs/dbraw/zinc/11/21/40/950112140.db2.gz QFLKEFOECXAQGZ-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184078 950114347 /nfs/dbraw/zinc/11/43/47/950114347.db2.gz SRBDGZZKVUVMKQ-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184078 950114363 /nfs/dbraw/zinc/11/43/63/950114363.db2.gz SRBDGZZKVUVMKQ-OCCSQVGLSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575582475 950116048 /nfs/dbraw/zinc/11/60/48/950116048.db2.gz DELVGUQODJDJFL-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575582475 950116058 /nfs/dbraw/zinc/11/60/58/950116058.db2.gz DELVGUQODJDJFL-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184365 950127853 /nfs/dbraw/zinc/12/78/53/950127853.db2.gz WFHRGICLZYAUMT-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184365 950127859 /nfs/dbraw/zinc/12/78/59/950127859.db2.gz WFHRGICLZYAUMT-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184369 950128211 /nfs/dbraw/zinc/12/82/11/950128211.db2.gz WFHRGICLZYAUMT-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184369 950128221 /nfs/dbraw/zinc/12/82/21/950128221.db2.gz WFHRGICLZYAUMT-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184451 950132403 /nfs/dbraw/zinc/13/24/03/950132403.db2.gz VTFWMJODSFENOW-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184451 950132420 /nfs/dbraw/zinc/13/24/20/950132420.db2.gz VTFWMJODSFENOW-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574734482 950136280 /nfs/dbraw/zinc/13/62/80/950136280.db2.gz NSVLPBIGECQYRM-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574734482 950136294 /nfs/dbraw/zinc/13/62/94/950136294.db2.gz NSVLPBIGECQYRM-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734729 950142872 /nfs/dbraw/zinc/14/28/72/950142872.db2.gz PDUHVFFAOXIOJO-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734729 950142879 /nfs/dbraw/zinc/14/28/79/950142879.db2.gz PDUHVFFAOXIOJO-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574493997 950146965 /nfs/dbraw/zinc/14/69/65/950146965.db2.gz WHTJFIKNMUWAIL-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574493997 950146976 /nfs/dbraw/zinc/14/69/76/950146976.db2.gz WHTJFIKNMUWAIL-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C)C[C@H](O)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573842566 950148525 /nfs/dbraw/zinc/14/85/25/950148525.db2.gz HPKZGPMQQDFFED-SNVBAGLBSA-N -1 1 378.437 0.552 20 0 GCADMM CC(C)(C)C[C@H](O)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573842566 950148543 /nfs/dbraw/zinc/14/85/43/950148543.db2.gz HPKZGPMQQDFFED-SNVBAGLBSA-N -1 1 378.437 0.552 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCOCC2)CCOC1 ZINC001575583749 950154241 /nfs/dbraw/zinc/15/42/41/950154241.db2.gz UEXQWESSDOEYLX-MRXNPFEDSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCOCC2)CCOC1 ZINC001575583749 950154253 /nfs/dbraw/zinc/15/42/53/950154253.db2.gz UEXQWESSDOEYLX-MRXNPFEDSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185085 950154739 /nfs/dbraw/zinc/15/47/39/950154739.db2.gz ZGUVXYQQYHKHPI-NWDGAFQWSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185085 950154747 /nfs/dbraw/zinc/15/47/47/950154747.db2.gz ZGUVXYQQYHKHPI-NWDGAFQWSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001574494201 950157100 /nfs/dbraw/zinc/15/71/00/950157100.db2.gz JHKFXRKZUHRASD-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001574494201 950157108 /nfs/dbraw/zinc/15/71/08/950157108.db2.gz JHKFXRKZUHRASD-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190534 950162431 /nfs/dbraw/zinc/16/24/31/950162431.db2.gz AKRDXNTXEOMCIF-NWDGAFQWSA-N -1 1 382.432 0.022 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)CC1 ZINC001575584142 950163027 /nfs/dbraw/zinc/16/30/27/950163027.db2.gz VZAALPIGPJEGJU-CQSZACIVSA-N -1 1 383.865 0.834 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)CC1 ZINC001575584142 950163036 /nfs/dbraw/zinc/16/30/36/950163036.db2.gz VZAALPIGPJEGJU-CQSZACIVSA-N -1 1 383.865 0.834 20 0 GCADMM C[C@@H](CNC(=O)c1cc(-c2ccco2)n[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574982490 950167176 /nfs/dbraw/zinc/16/71/76/950167176.db2.gz DHIBNKYBIANRDM-VIFPVBQESA-N -1 1 380.372 0.870 20 0 GCADMM C[C@@H](CNC(=O)c1cc(-c2ccco2)n[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574982490 950167188 /nfs/dbraw/zinc/16/71/88/950167188.db2.gz DHIBNKYBIANRDM-VIFPVBQESA-N -1 1 380.372 0.870 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899451 950168405 /nfs/dbraw/zinc/16/84/05/950168405.db2.gz WGXASYQJCJUDII-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899451 950168416 /nfs/dbraw/zinc/16/84/16/950168416.db2.gz WGXASYQJCJUDII-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574494566 950168590 /nfs/dbraw/zinc/16/85/90/950168590.db2.gz LFLKNQPNYJYKHO-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574494566 950168602 /nfs/dbraw/zinc/16/86/02/950168602.db2.gz LFLKNQPNYJYKHO-PHDIDXHHSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574982615 950174515 /nfs/dbraw/zinc/17/45/15/950174515.db2.gz FQUOLDVUQMSRRA-RXMQYKEDSA-N -1 1 381.809 0.290 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnc[nH]c1=O ZINC001574154693 950174539 /nfs/dbraw/zinc/17/45/39/950174539.db2.gz GCKSBKHACPEZIA-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574494703 950178830 /nfs/dbraw/zinc/17/88/30/950178830.db2.gz MYAJALNYIHZWIE-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574494703 950178843 /nfs/dbraw/zinc/17/88/43/950178843.db2.gz MYAJALNYIHZWIE-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1OCCCO1 ZINC001574155038 950181591 /nfs/dbraw/zinc/18/15/91/950181591.db2.gz IJKMOXXFEOMJMP-GFCCVEGCSA-N -1 1 390.448 0.175 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899846 950181752 /nfs/dbraw/zinc/18/17/52/950181752.db2.gz AGZFVBVIXBLRCP-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899846 950181766 /nfs/dbraw/zinc/18/17/66/950181766.db2.gz AGZFVBVIXBLRCP-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574155045 950183404 /nfs/dbraw/zinc/18/34/04/950183404.db2.gz IPXKFIZGVHMYGK-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574155045 950183425 /nfs/dbraw/zinc/18/34/25/950183425.db2.gz IPXKFIZGVHMYGK-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1cnn(C)c1 ZINC001574155472 950190579 /nfs/dbraw/zinc/19/05/79/950190579.db2.gz LVGRGWJHJXXWSO-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cnn(C)c1 ZINC001574155472 950190589 /nfs/dbraw/zinc/19/05/89/950190589.db2.gz LVGRGWJHJXXWSO-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191363 950192303 /nfs/dbraw/zinc/19/23/03/950192303.db2.gz FOYLLRCOJSEWOB-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)n1cncn1 ZINC001574155463 950192275 /nfs/dbraw/zinc/19/22/75/950192275.db2.gz LPDFLPWUJJBOEA-NWDGAFQWSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)n1cncn1 ZINC001574155463 950192285 /nfs/dbraw/zinc/19/22/85/950192285.db2.gz LPDFLPWUJJBOEA-NWDGAFQWSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191363 950192321 /nfs/dbraw/zinc/19/23/21/950192321.db2.gz FOYLLRCOJSEWOB-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@]1(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575585546 950196721 /nfs/dbraw/zinc/19/67/21/950196721.db2.gz AKRHYHSBOYJCQI-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575585546 950196733 /nfs/dbraw/zinc/19/67/33/950196733.db2.gz AKRHYHSBOYJCQI-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001574155635 950200742 /nfs/dbraw/zinc/20/07/42/950200742.db2.gz PIPNMRYTZJXPOM-KGLIPLIRSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574495459 950202488 /nfs/dbraw/zinc/20/24/88/950202488.db2.gz SQFVBPWCFFSMQH-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574495459 950202505 /nfs/dbraw/zinc/20/25/05/950202505.db2.gz SQFVBPWCFFSMQH-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c2c(O)cccc21 ZINC001576191746 950209321 /nfs/dbraw/zinc/20/93/21/950209321.db2.gz JRAJLXUULJWSEK-VIFPVBQESA-N -1 1 383.368 0.375 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191724 950209413 /nfs/dbraw/zinc/20/94/13/950209413.db2.gz HXXZQWGBMQXDOB-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191724 950209426 /nfs/dbraw/zinc/20/94/26/950209426.db2.gz HXXZQWGBMQXDOB-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191792 950209517 /nfs/dbraw/zinc/20/95/17/950209517.db2.gz IJAGWQRRIWETKT-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191792 950209530 /nfs/dbraw/zinc/20/95/30/950209530.db2.gz IJAGWQRRIWETKT-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001574155995 950217651 /nfs/dbraw/zinc/21/76/51/950217651.db2.gz TXNOMLFWDIBPQS-ZBEGNZNMSA-N -1 1 378.412 0.150 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191970 950220924 /nfs/dbraw/zinc/22/09/24/950220924.db2.gz KXSLSMKQRQNSSN-CHWSQXEVSA-N -1 1 381.444 0.627 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901216 950223297 /nfs/dbraw/zinc/22/32/97/950223297.db2.gz MMDPIKFETXQLBL-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901216 950223319 /nfs/dbraw/zinc/22/33/19/950223319.db2.gz MMDPIKFETXQLBL-PWSUYJOCSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574497059 950224320 /nfs/dbraw/zinc/22/43/20/950224320.db2.gz YRYNQDNUIDICAI-RYUDHWBXSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192036 950224743 /nfs/dbraw/zinc/22/47/43/950224743.db2.gz JMUJHNQFTWZVID-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192036 950224770 /nfs/dbraw/zinc/22/47/70/950224770.db2.gz JMUJHNQFTWZVID-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574156164 950226135 /nfs/dbraw/zinc/22/61/35/950226135.db2.gz XXDJDRQMODFQOG-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574156164 950226153 /nfs/dbraw/zinc/22/61/53/950226153.db2.gz XXDJDRQMODFQOG-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901266 950230259 /nfs/dbraw/zinc/23/02/59/950230259.db2.gz MVXYFHAGNZMGPF-BDAKNGLRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901266 950230268 /nfs/dbraw/zinc/23/02/68/950230268.db2.gz MVXYFHAGNZMGPF-BDAKNGLRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574497353 950232223 /nfs/dbraw/zinc/23/22/23/950232223.db2.gz ZQUFQRDTVNQJTC-NEPJUHHUSA-N -1 1 376.465 0.430 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(F)cncc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574740777 950234481 /nfs/dbraw/zinc/23/44/81/950234481.db2.gz GIMOUNCFCHIUHQ-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CN(C)C(=O)c1c(F)cncc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574740777 950234502 /nfs/dbraw/zinc/23/45/02/950234502.db2.gz GIMOUNCFCHIUHQ-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)n1ccnc1 ZINC001574497774 950243290 /nfs/dbraw/zinc/24/32/90/950243290.db2.gz CTIPETLHKPGWFW-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)n1ccnc1 ZINC001574497774 950243309 /nfs/dbraw/zinc/24/33/09/950243309.db2.gz CTIPETLHKPGWFW-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902229 950252223 /nfs/dbraw/zinc/25/22/23/950252223.db2.gz TWFUDIIMYBSOTF-BDAKNGLRSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574984094 950256176 /nfs/dbraw/zinc/25/61/76/950256176.db2.gz WLJWAUHHVVRNBN-NSHDSACASA-N -1 1 391.395 0.964 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cncc(F)c1 ZINC001574157943 950262250 /nfs/dbraw/zinc/26/22/50/950262250.db2.gz LLTYUZVOHNHVIN-CYBMUJFWSA-N -1 1 385.407 0.869 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574498084 950262705 /nfs/dbraw/zinc/26/27/05/950262705.db2.gz JQIQRYOAJZDHPC-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574498084 950262729 /nfs/dbraw/zinc/26/27/29/950262729.db2.gz JQIQRYOAJZDHPC-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574158139 950270694 /nfs/dbraw/zinc/27/06/94/950270694.db2.gz OVCAUCXKEXVIRZ-LBPRGKRZSA-N -1 1 383.416 0.436 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(F)CCOC1 ZINC001574158122 950271702 /nfs/dbraw/zinc/27/17/02/950271702.db2.gz OIKWCSIDFWAWFP-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(F)CCOC1 ZINC001574158122 950271713 /nfs/dbraw/zinc/27/17/13/950271713.db2.gz OIKWCSIDFWAWFP-ZBEGNZNMSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574498434 950275782 /nfs/dbraw/zinc/27/57/82/950275782.db2.gz NGNCIFLZWRDIKC-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574498434 950275803 /nfs/dbraw/zinc/27/58/03/950275803.db2.gz NGNCIFLZWRDIKC-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574984536 950277053 /nfs/dbraw/zinc/27/70/53/950277053.db2.gz YVTOBMVMEZPKQN-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574984536 950277072 /nfs/dbraw/zinc/27/70/72/950277072.db2.gz YVTOBMVMEZPKQN-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574158459 950279651 /nfs/dbraw/zinc/27/96/51/950279651.db2.gz AYOIEYZMQXRBFF-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574158459 950279678 /nfs/dbraw/zinc/27/96/78/950279678.db2.gz AYOIEYZMQXRBFF-NEPJUHHUSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193058 950281407 /nfs/dbraw/zinc/28/14/07/950281407.db2.gz RHLUOFWZWXZMAP-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193058 950281425 /nfs/dbraw/zinc/28/14/25/950281425.db2.gz RHLUOFWZWXZMAP-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1=O ZINC001573850902 950282299 /nfs/dbraw/zinc/28/22/99/950282299.db2.gz OIAXICZJGNUVEZ-LLVKDONJSA-N -1 1 388.432 0.791 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C1=O ZINC001573850902 950282314 /nfs/dbraw/zinc/28/23/14/950282314.db2.gz OIAXICZJGNUVEZ-LLVKDONJSA-N -1 1 388.432 0.791 20 0 GCADMM CC1(C(=O)NCCN2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001575592267 950282822 /nfs/dbraw/zinc/28/28/22/950282822.db2.gz FTQYWLIDBMXHRZ-UHFFFAOYSA-N -1 1 385.476 0.475 20 0 GCADMM CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)CO1 ZINC001573851369 950291949 /nfs/dbraw/zinc/29/19/49/950291949.db2.gz WIBGWIQKOIXJKM-NXEZZACHSA-N -1 1 377.405 0.813 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574499045 950293019 /nfs/dbraw/zinc/29/30/19/950293019.db2.gz RSIMNVBUGBFKDF-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574499045 950293037 /nfs/dbraw/zinc/29/30/37/950293037.db2.gz RSIMNVBUGBFKDF-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574499043 950294258 /nfs/dbraw/zinc/29/42/58/950294258.db2.gz RSIMNVBUGBFKDF-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574499043 950294276 /nfs/dbraw/zinc/29/42/76/950294276.db2.gz RSIMNVBUGBFKDF-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM CC(C)(C)OC(=O)N(CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)C[C@@H]1CCCO1 ZINC001573851918 950295669 /nfs/dbraw/zinc/29/56/69/950295669.db2.gz ANEWFRJVCUZLJP-JTQLQIEISA-N -1 1 392.420 0.944 20 0 GCADMM CC(C)(C)OC(=O)N(CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)C[C@@H]1CCCO1 ZINC001573851918 950295688 /nfs/dbraw/zinc/29/56/88/950295688.db2.gz ANEWFRJVCUZLJP-JTQLQIEISA-N -1 1 392.420 0.944 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001574159338 950299799 /nfs/dbraw/zinc/29/97/99/950299799.db2.gz FOPQJWDNUJRJTQ-OLZOCXBDSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CO[C@H]1CCOC1 ZINC001574159338 950299818 /nfs/dbraw/zinc/29/98/18/950299818.db2.gz FOPQJWDNUJRJTQ-OLZOCXBDSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)OC(=O)N1CC(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573852355 950301806 /nfs/dbraw/zinc/30/18/06/950301806.db2.gz FYJOHUSOEHWLSC-UHFFFAOYSA-N -1 1 380.434 0.742 20 0 GCADMM CC(C)(C)OC(=O)N1CC(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573852355 950301826 /nfs/dbraw/zinc/30/18/26/950301826.db2.gz FYJOHUSOEHWLSC-UHFFFAOYSA-N -1 1 380.434 0.742 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573852347 950302870 /nfs/dbraw/zinc/30/28/70/950302870.db2.gz FRFVHBPEIHKJBZ-ANRSDYALSA-N -1 1 378.393 0.289 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573852347 950302892 /nfs/dbraw/zinc/30/28/92/950302892.db2.gz FRFVHBPEIHKJBZ-ANRSDYALSA-N -1 1 378.393 0.289 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccncc1 ZINC001574499478 950303367 /nfs/dbraw/zinc/30/33/67/950303367.db2.gz WIDXPMMHCQWNQX-LBPRGKRZSA-N -1 1 379.428 0.728 20 0 GCADMM CC1(C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCC1 ZINC001575593141 950305022 /nfs/dbraw/zinc/30/50/22/950305022.db2.gz LGQXUTDOTQQUIA-UHFFFAOYSA-N -1 1 385.476 0.475 20 0 GCADMM CC1(C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCC1 ZINC001575593141 950305043 /nfs/dbraw/zinc/30/50/43/950305043.db2.gz LGQXUTDOTQQUIA-UHFFFAOYSA-N -1 1 385.476 0.475 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193633 950308616 /nfs/dbraw/zinc/30/86/16/950308616.db2.gz UYHZEKIKZPGENT-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193633 950308633 /nfs/dbraw/zinc/30/86/33/950308633.db2.gz UYHZEKIKZPGENT-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001574159667 950310287 /nfs/dbraw/zinc/31/02/87/950310287.db2.gz XSQNPKSQABDCME-LBPRGKRZSA-N -1 1 385.407 0.869 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](CO)C1 ZINC001573852830 950312218 /nfs/dbraw/zinc/31/22/18/950312218.db2.gz JTLMXIPOGMMQCE-NSHDSACASA-N -1 1 389.416 0.316 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](CO)C1 ZINC001573852830 950312235 /nfs/dbraw/zinc/31/22/35/950312235.db2.gz JTLMXIPOGMMQCE-NSHDSACASA-N -1 1 389.416 0.316 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574501049 950317749 /nfs/dbraw/zinc/31/77/49/950317749.db2.gz AOSDBHSNAPOQQF-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574501049 950317770 /nfs/dbraw/zinc/31/77/70/950317770.db2.gz AOSDBHSNAPOQQF-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NCCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCOC1 ZINC001575593815 950318962 /nfs/dbraw/zinc/31/89/62/950318962.db2.gz OOSVWKVVNNNRHE-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCOC1 ZINC001575593815 950318985 /nfs/dbraw/zinc/31/89/85/950318985.db2.gz OOSVWKVVNNNRHE-GOSISDBHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574743205 950320756 /nfs/dbraw/zinc/32/07/56/950320756.db2.gz TZHJNEYNEYWVDV-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574743205 950320778 /nfs/dbraw/zinc/32/07/78/950320778.db2.gz TZHJNEYNEYWVDV-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574501470 950329238 /nfs/dbraw/zinc/32/92/38/950329238.db2.gz DPRPTZVKQRKKPO-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574501470 950329258 /nfs/dbraw/zinc/32/92/58/950329258.db2.gz DPRPTZVKQRKKPO-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001573853739 950329974 /nfs/dbraw/zinc/32/99/74/950329974.db2.gz UYMDNCDRBDZLIY-QGZVFWFLSA-N -1 1 389.416 0.363 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001573853739 950329993 /nfs/dbraw/zinc/32/99/93/950329993.db2.gz UYMDNCDRBDZLIY-QGZVFWFLSA-N -1 1 389.416 0.363 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194232 950333015 /nfs/dbraw/zinc/33/30/15/950333015.db2.gz XXWKNNKNXHBZMI-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194232 950333036 /nfs/dbraw/zinc/33/30/36/950333036.db2.gz XXWKNNKNXHBZMI-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576194324 950337513 /nfs/dbraw/zinc/33/75/13/950337513.db2.gz YXDMXSHNFBSJGC-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576194324 950337534 /nfs/dbraw/zinc/33/75/34/950337534.db2.gz YXDMXSHNFBSJGC-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574160520 950338005 /nfs/dbraw/zinc/33/80/05/950338005.db2.gz NQTMVSYJHUBIKN-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574160520 950338029 /nfs/dbraw/zinc/33/80/29/950338029.db2.gz NQTMVSYJHUBIKN-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576194467 950340393 /nfs/dbraw/zinc/34/03/93/950340393.db2.gz ZBRIAAYNQOCOES-WDEREUQCSA-N -1 1 385.457 0.745 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194446 950343204 /nfs/dbraw/zinc/34/32/04/950343204.db2.gz ZZPJVSVLYMVQMT-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C1CC1 ZINC001574501652 950343486 /nfs/dbraw/zinc/34/34/86/950343486.db2.gz FTKVLLYWHXNLCS-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C1CC1 ZINC001574501652 950343509 /nfs/dbraw/zinc/34/35/09/950343509.db2.gz FTKVLLYWHXNLCS-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574744239 950348171 /nfs/dbraw/zinc/34/81/71/950348171.db2.gz YBKUXJZPRWOPOJ-JTQLQIEISA-N -1 1 384.448 0.672 20 0 GCADMM CC1(C(=O)NCCCN(c2nccnc2-c2nnn[n-]2)C2CC2)CCOCC1 ZINC001575595190 950353523 /nfs/dbraw/zinc/35/35/23/950353523.db2.gz YILUNFWJHPKTQX-UHFFFAOYSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NCCCN(c2nccnc2-c2nn[n-]n2)C2CC2)CCOCC1 ZINC001575595190 950353544 /nfs/dbraw/zinc/35/35/44/950353544.db2.gz YILUNFWJHPKTQX-UHFFFAOYSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574502028 950354697 /nfs/dbraw/zinc/35/46/97/950354697.db2.gz IDKZBAPIKRGTRS-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574502028 950354718 /nfs/dbraw/zinc/35/47/18/950354718.db2.gz IDKZBAPIKRGTRS-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccn(C)n1 ZINC001574161343 950356994 /nfs/dbraw/zinc/35/69/94/950356994.db2.gz UGAAAWQNWIGBKC-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccn(C)n1 ZINC001574161343 950357014 /nfs/dbraw/zinc/35/70/14/950357014.db2.gz UGAAAWQNWIGBKC-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574744964 950369735 /nfs/dbraw/zinc/36/97/35/950369735.db2.gz DGMZUEBKPNKHBZ-ZETCQYMHSA-N -1 1 378.347 0.312 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1c[nH]c(=O)n1C ZINC001574162450 950380016 /nfs/dbraw/zinc/38/00/16/950380016.db2.gz ASOZZAKTYAXENC-SNVBAGLBSA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1c[nH]c(=O)n1C ZINC001574162450 950380027 /nfs/dbraw/zinc/38/00/27/950380027.db2.gz ASOZZAKTYAXENC-SNVBAGLBSA-N -1 1 386.420 0.352 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574745296 950380338 /nfs/dbraw/zinc/38/03/38/950380338.db2.gz HWOVXQFWFHEWLO-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574745296 950380359 /nfs/dbraw/zinc/38/03/59/950380359.db2.gz HWOVXQFWFHEWLO-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574502830 950389782 /nfs/dbraw/zinc/38/97/82/950389782.db2.gz QUBCEFJRIOVGLZ-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574502830 950389805 /nfs/dbraw/zinc/38/98/05/950389805.db2.gz QUBCEFJRIOVGLZ-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574746811 950401459 /nfs/dbraw/zinc/40/14/59/950401459.db2.gz PSNCNQGZJHOELJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574746811 950401468 /nfs/dbraw/zinc/40/14/68/950401468.db2.gz PSNCNQGZJHOELJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574162840 950403480 /nfs/dbraw/zinc/40/34/80/950403480.db2.gz JXYLPNJRCVSJRQ-RYUDHWBXSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574162840 950403496 /nfs/dbraw/zinc/40/34/96/950403496.db2.gz JXYLPNJRCVSJRQ-RYUDHWBXSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573857522 950407611 /nfs/dbraw/zinc/40/76/11/950407611.db2.gz UDWABJFJTUGAEB-OAHLLOKOSA-N -1 1 378.393 0.554 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573857522 950407627 /nfs/dbraw/zinc/40/76/27/950407627.db2.gz UDWABJFJTUGAEB-OAHLLOKOSA-N -1 1 378.393 0.554 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc[nH]c1=O ZINC001574162866 950410891 /nfs/dbraw/zinc/41/08/91/950410891.db2.gz KOQCGUUGHIAEPF-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc[nH]c1=O ZINC001574162866 950410905 /nfs/dbraw/zinc/41/09/05/950410905.db2.gz KOQCGUUGHIAEPF-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCNC1=O ZINC001574162992 950412073 /nfs/dbraw/zinc/41/20/73/950412073.db2.gz OTUQQHWJHGXPGB-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCNC1=O ZINC001574162992 950412088 /nfs/dbraw/zinc/41/20/88/950412088.db2.gz OTUQQHWJHGXPGB-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574503500 950413149 /nfs/dbraw/zinc/41/31/49/950413149.db2.gz XKUIRFAADONERA-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574503502 950413931 /nfs/dbraw/zinc/41/39/31/950413931.db2.gz XMCFSVWVLOWMFW-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574503502 950413942 /nfs/dbraw/zinc/41/39/42/950413942.db2.gz XMCFSVWVLOWMFW-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCNC1=O ZINC001574162990 950414168 /nfs/dbraw/zinc/41/41/68/950414168.db2.gz OTUQQHWJHGXPGB-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001574162990 950414178 /nfs/dbraw/zinc/41/41/78/950414178.db2.gz OTUQQHWJHGXPGB-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001574163213 950419258 /nfs/dbraw/zinc/41/92/58/950419258.db2.gz RDIIGOPIFMDROJ-NEPJUHHUSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001574163213 950419268 /nfs/dbraw/zinc/41/92/68/950419268.db2.gz RDIIGOPIFMDROJ-NEPJUHHUSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574504010 950424318 /nfs/dbraw/zinc/42/43/18/950424318.db2.gz ZGIBOLYRXDVMFO-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574163742 950431244 /nfs/dbraw/zinc/43/12/44/950431244.db2.gz XEFQAOOHYYRSLQ-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574163742 950431258 /nfs/dbraw/zinc/43/12/58/950431258.db2.gz XEFQAOOHYYRSLQ-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)COC1 ZINC001573861080 950437738 /nfs/dbraw/zinc/43/77/38/950437738.db2.gz RYUBQTAGPCICHR-UHFFFAOYSA-N -1 1 389.416 0.562 20 0 GCADMM CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)COC1 ZINC001573861080 950437754 /nfs/dbraw/zinc/43/77/54/950437754.db2.gz RYUBQTAGPCICHR-UHFFFAOYSA-N -1 1 389.416 0.562 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573861279 950446232 /nfs/dbraw/zinc/44/62/32/950446232.db2.gz WOTBLQRSKFCQKA-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573861279 950446252 /nfs/dbraw/zinc/44/62/52/950446252.db2.gz WOTBLQRSKFCQKA-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001573861281 950446593 /nfs/dbraw/zinc/44/65/93/950446593.db2.gz WQQUSLINZUQMLX-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001573861281 950446608 /nfs/dbraw/zinc/44/66/08/950446608.db2.gz WQQUSLINZUQMLX-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573861315 950446928 /nfs/dbraw/zinc/44/69/28/950446928.db2.gz YANPWOOLAXKCLP-WCBMZHEXSA-N -1 1 378.393 0.458 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573861315 950446937 /nfs/dbraw/zinc/44/69/37/950446937.db2.gz YANPWOOLAXKCLP-WCBMZHEXSA-N -1 1 378.393 0.458 20 0 GCADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001573861593 950448694 /nfs/dbraw/zinc/44/86/94/950448694.db2.gz BYYPZYQVZUZQNN-XYPYZODXSA-N -1 1 391.436 0.410 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751202 950454052 /nfs/dbraw/zinc/45/40/52/950454052.db2.gz LCWSFABBZRARLQ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751202 950454066 /nfs/dbraw/zinc/45/40/66/950454066.db2.gz LCWSFABBZRARLQ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575912641 950469676 /nfs/dbraw/zinc/46/96/76/950469676.db2.gz HXAZCDKOPVODDH-ONGXEEELSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575912641 950469681 /nfs/dbraw/zinc/46/96/81/950469681.db2.gz HXAZCDKOPVODDH-ONGXEEELSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751948 950470121 /nfs/dbraw/zinc/47/01/21/950470121.db2.gz RWYLKSWMTCPMTI-SECBINFHSA-N -1 1 375.824 0.643 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574508250 950476453 /nfs/dbraw/zinc/47/64/53/950476453.db2.gz MUHZVMAFNNRQGS-UPJWGTAASA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575913147 950479172 /nfs/dbraw/zinc/47/91/72/950479172.db2.gz IUYMULSETHVJPS-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575913147 950479180 /nfs/dbraw/zinc/47/91/80/950479180.db2.gz IUYMULSETHVJPS-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575913121 950479234 /nfs/dbraw/zinc/47/92/34/950479234.db2.gz IRULSRXOMROYTQ-NWDGAFQWSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575913121 950479243 /nfs/dbraw/zinc/47/92/43/950479243.db2.gz IRULSRXOMROYTQ-NWDGAFQWSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575913122 950479626 /nfs/dbraw/zinc/47/96/26/950479626.db2.gz IRULSRXOMROYTQ-RYUDHWBXSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575913122 950479633 /nfs/dbraw/zinc/47/96/33/950479633.db2.gz IRULSRXOMROYTQ-RYUDHWBXSA-N -1 1 387.448 0.317 20 0 GCADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575605842 950488448 /nfs/dbraw/zinc/48/84/48/950488448.db2.gz WVNAYYHFXAHUOM-BZPMIXESSA-N -1 1 384.444 0.699 20 0 GCADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575605842 950488461 /nfs/dbraw/zinc/48/84/61/950488461.db2.gz WVNAYYHFXAHUOM-BZPMIXESSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752634 950491197 /nfs/dbraw/zinc/49/11/97/950491197.db2.gz DQUQZZBRDUQYST-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752634 950491206 /nfs/dbraw/zinc/49/12/06/950491206.db2.gz DQUQZZBRDUQYST-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573866443 950501350 /nfs/dbraw/zinc/50/13/50/950501350.db2.gz CFLDUINAMVSJKN-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)nn1C ZINC001574995016 950501433 /nfs/dbraw/zinc/50/14/33/950501433.db2.gz CAFNATXKKLRDPK-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)nn1C ZINC001574995016 950501448 /nfs/dbraw/zinc/50/14/48/950501448.db2.gz CAFNATXKKLRDPK-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574995260 950502759 /nfs/dbraw/zinc/50/27/59/950502759.db2.gz CPNMMSIXBPWKPX-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)CCC1 ZINC001574168146 950505586 /nfs/dbraw/zinc/50/55/86/950505586.db2.gz QBZKTKHABAWSSR-ZIAGYGMSSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)CCC1 ZINC001574168146 950505600 /nfs/dbraw/zinc/50/56/00/950505600.db2.gz QBZKTKHABAWSSR-ZIAGYGMSSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573866759 950513520 /nfs/dbraw/zinc/51/35/20/950513520.db2.gz LJFDFEFEQFEEHF-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866764 950515468 /nfs/dbraw/zinc/51/54/68/950515468.db2.gz LPLQKDZSEIOEKM-NSHDSACASA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866764 950515489 /nfs/dbraw/zinc/51/54/89/950515489.db2.gz LPLQKDZSEIOEKM-NSHDSACASA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753288 950518858 /nfs/dbraw/zinc/51/88/58/950518858.db2.gz KQCNKNZRMLXZQV-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753288 950518870 /nfs/dbraw/zinc/51/88/70/950518870.db2.gz KQCNKNZRMLXZQV-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573867074 950518926 /nfs/dbraw/zinc/51/89/26/950518926.db2.gz OZFZUQZHNVFRAJ-JSGCOSHPSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573867074 950518939 /nfs/dbraw/zinc/51/89/39/950518939.db2.gz OZFZUQZHNVFRAJ-JSGCOSHPSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574509612 950520441 /nfs/dbraw/zinc/52/04/41/950520441.db2.gz XMCFSVWVLOWMFW-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574509612 950520449 /nfs/dbraw/zinc/52/04/49/950520449.db2.gz XMCFSVWVLOWMFW-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Br)c[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574996012 950520608 /nfs/dbraw/zinc/52/06/08/950520608.db2.gz JOXNRXOCHYJFBE-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Br)c[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574996012 950520617 /nfs/dbraw/zinc/52/06/17/950520617.db2.gz JOXNRXOCHYJFBE-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM CC(C)CCC(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001574169585 950523717 /nfs/dbraw/zinc/52/37/17/950523717.db2.gz AYUPHDUSSCNAKQ-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CCC(=O)N1CC[C@]2(C1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001574169585 950523743 /nfs/dbraw/zinc/52/37/43/950523743.db2.gz AYUPHDUSSCNAKQ-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)[C@H]1CCCO1 ZINC001574509692 950524289 /nfs/dbraw/zinc/52/42/89/950524289.db2.gz VVCWKHNPIWTLCA-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)[C@H]1CCCO1 ZINC001574509692 950524308 /nfs/dbraw/zinc/52/43/08/950524308.db2.gz VVCWKHNPIWTLCA-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573867391 950532873 /nfs/dbraw/zinc/53/28/73/950532873.db2.gz YIGNYDGCTISNRV-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)(C)OCC(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573867391 950532887 /nfs/dbraw/zinc/53/28/87/950532887.db2.gz YIGNYDGCTISNRV-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)n(C)n1 ZINC001574997375 950543096 /nfs/dbraw/zinc/54/30/96/950543096.db2.gz UHOZCGRJSIFLFE-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)n(C)n1 ZINC001574997375 950543113 /nfs/dbraw/zinc/54/31/13/950543113.db2.gz UHOZCGRJSIFLFE-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1cccn1 ZINC001575916594 950543370 /nfs/dbraw/zinc/54/33/70/950543370.db2.gz QUNKAZRAOZBSFM-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1cccn1 ZINC001575916594 950543388 /nfs/dbraw/zinc/54/33/88/950543388.db2.gz QUNKAZRAOZBSFM-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573868529 950544098 /nfs/dbraw/zinc/54/40/98/950544098.db2.gz DFBXKDQMRLJMPG-XQQFMLRXSA-N -1 1 386.460 0.945 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573868529 950544112 /nfs/dbraw/zinc/54/41/12/950544112.db2.gz DFBXKDQMRLJMPG-XQQFMLRXSA-N -1 1 386.460 0.945 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)CC(C)(C)C ZINC001574511203 950553665 /nfs/dbraw/zinc/55/36/65/950553665.db2.gz HMRDLJYBPHAANR-YUTCNCBUSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)CC(C)(C)C ZINC001574511203 950553679 /nfs/dbraw/zinc/55/36/79/950553679.db2.gz HMRDLJYBPHAANR-YUTCNCBUSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CCC(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001574171417 950555359 /nfs/dbraw/zinc/55/53/59/950555359.db2.gz PRMVUWJUNGLINO-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CCC(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001574171417 950555374 /nfs/dbraw/zinc/55/53/74/950555374.db2.gz PRMVUWJUNGLINO-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)CC(C)(C)C ZINC001574511356 950556732 /nfs/dbraw/zinc/55/67/32/950556732.db2.gz ISLFMAYZUUUMEV-IACUBPJLSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)CC(C)(C)C ZINC001574511356 950556752 /nfs/dbraw/zinc/55/67/52/950556752.db2.gz ISLFMAYZUUUMEV-IACUBPJLSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc2nccn2c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574754096 950558076 /nfs/dbraw/zinc/55/80/76/950558076.db2.gz XTTNSIIETFLGTH-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc2nccn2c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574754096 950558094 /nfs/dbraw/zinc/55/80/94/950558094.db2.gz XTTNSIIETFLGTH-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574998797 950558144 /nfs/dbraw/zinc/55/81/44/950558144.db2.gz ACNOFPLQPVHKFF-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574998797 950558162 /nfs/dbraw/zinc/55/81/62/950558162.db2.gz ACNOFPLQPVHKFF-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)CC(C)(C)C ZINC001574511563 950563514 /nfs/dbraw/zinc/56/35/14/950563514.db2.gz LXDRNVZHHNHTQI-JHJVBQTASA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)CC(C)(C)C ZINC001574511563 950563531 /nfs/dbraw/zinc/56/35/31/950563531.db2.gz LXDRNVZHHNHTQI-JHJVBQTASA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574754173 950564704 /nfs/dbraw/zinc/56/47/04/950564704.db2.gz ZCEFCGDVEKONJC-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574754173 950564724 /nfs/dbraw/zinc/56/47/24/950564724.db2.gz ZCEFCGDVEKONJC-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001575615011 950565006 /nfs/dbraw/zinc/56/50/06/950565006.db2.gz ZAOXDMMAJTUZER-UHFFFAOYSA-N -1 1 380.368 0.187 20 0 GCADMM CC(C)CCC(=O)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574171834 950569743 /nfs/dbraw/zinc/56/97/43/950569743.db2.gz UUSUMHFZKRAYCK-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999504 950583566 /nfs/dbraw/zinc/58/35/66/950583566.db2.gz KUMPLSIUNQIROD-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574999504 950583575 /nfs/dbraw/zinc/58/35/75/950583575.db2.gz KUMPLSIUNQIROD-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)C1(C)C ZINC001575616450 950584099 /nfs/dbraw/zinc/58/40/99/950584099.db2.gz PPXZJIFZVKCUGQ-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)C1(C)C ZINC001575616450 950584114 /nfs/dbraw/zinc/58/41/14/950584114.db2.gz PPXZJIFZVKCUGQ-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575918129 950586351 /nfs/dbraw/zinc/58/63/51/950586351.db2.gz AMMDKVZXXXZFRW-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575918129 950586364 /nfs/dbraw/zinc/58/63/64/950586364.db2.gz AMMDKVZXXXZFRW-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574999748 950587271 /nfs/dbraw/zinc/58/72/71/950587271.db2.gz MVFBMTUVSNUNQD-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574999748 950587284 /nfs/dbraw/zinc/58/72/84/950587284.db2.gz MVFBMTUVSNUNQD-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999741 950590930 /nfs/dbraw/zinc/59/09/30/950590930.db2.gz MSFGPVSVAZBFLI-SSDOTTSWSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575000079 950592199 /nfs/dbraw/zinc/59/21/99/950592199.db2.gz OVZXYCMKGCLMKN-SECBINFHSA-N -1 1 381.400 0.287 20 0 GCADMM C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000090 950594428 /nfs/dbraw/zinc/59/44/28/950594428.db2.gz AHBQHWJAVULCBD-SNVBAGLBSA-N -1 1 381.400 0.607 20 0 GCADMM C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000090 950594448 /nfs/dbraw/zinc/59/44/48/950594448.db2.gz AHBQHWJAVULCBD-SNVBAGLBSA-N -1 1 381.400 0.607 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575000098 950595389 /nfs/dbraw/zinc/59/53/89/950595389.db2.gz AHCLFAMPMSCGAD-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575000098 950595405 /nfs/dbraw/zinc/59/54/05/950595405.db2.gz AHCLFAMPMSCGAD-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001575918504 950597226 /nfs/dbraw/zinc/59/72/26/950597226.db2.gz CVHFYGURWDODBS-VXGBXAGGSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575918784 950602129 /nfs/dbraw/zinc/60/21/29/950602129.db2.gz FBSZAMSPJVIWCH-WCBMZHEXSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575918784 950602141 /nfs/dbraw/zinc/60/21/41/950602141.db2.gz FBSZAMSPJVIWCH-WCBMZHEXSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ncccc1F ZINC001575919028 950605458 /nfs/dbraw/zinc/60/54/58/950605458.db2.gz FNOFOYRPYUTXTM-ZYHUDNBSSA-N -1 1 383.391 0.257 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575919011 950605511 /nfs/dbraw/zinc/60/55/11/950605511.db2.gz FLBZBYXCEWRNSX-WCBMZHEXSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575919011 950605531 /nfs/dbraw/zinc/60/55/31/950605531.db2.gz FLBZBYXCEWRNSX-WCBMZHEXSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758564 950611974 /nfs/dbraw/zinc/61/19/74/950611974.db2.gz DHTPKHRKTORJEB-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758564 950611984 /nfs/dbraw/zinc/61/19/84/950611984.db2.gz DHTPKHRKTORJEB-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc2[nH]ncc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758748 950616708 /nfs/dbraw/zinc/61/67/08/950616708.db2.gz GGAOEIMZECWZLI-JTQLQIEISA-N -1 1 378.400 0.528 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574513746 950617341 /nfs/dbraw/zinc/61/73/41/950617341.db2.gz XYANMAFAHXYESB-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574513746 950617354 /nfs/dbraw/zinc/61/73/54/950617354.db2.gz XYANMAFAHXYESB-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575919639 950620901 /nfs/dbraw/zinc/62/09/01/950620901.db2.gz JCQYNSWEKDNFEO-SMDDNHRTSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575919859 950623140 /nfs/dbraw/zinc/62/31/40/950623140.db2.gz KQQGYMBCZRFZIP-SKDRFNHKSA-N -1 1 385.819 0.842 20 0 GCADMM CC1(C)C(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575619885 950628184 /nfs/dbraw/zinc/62/81/84/950628184.db2.gz SSZAJBUKFPZLIY-GOSISDBHSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccn1 ZINC001574515645 950629334 /nfs/dbraw/zinc/62/93/34/950629334.db2.gz CYBPTFCOMJIBSI-FJJYHAOUSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759297 950634294 /nfs/dbraw/zinc/63/42/94/950634294.db2.gz BCYBRLAOAUWHGH-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759297 950634305 /nfs/dbraw/zinc/63/43/05/950634305.db2.gz BCYBRLAOAUWHGH-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1ccnc1 ZINC001574516969 950642836 /nfs/dbraw/zinc/64/28/36/950642836.db2.gz JJWBGOUDZUBUHG-PVTKRXDGSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001575922524 950646472 /nfs/dbraw/zinc/64/64/72/950646472.db2.gz PPWMFIYOVSXKNR-PWSUYJOCSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002036 950648681 /nfs/dbraw/zinc/64/86/81/950648681.db2.gz YQQWCQIKXOUTDL-QMMMGPOBSA-N -1 1 390.358 0.284 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575002029 950650802 /nfs/dbraw/zinc/65/08/02/950650802.db2.gz YPLSMXFPSZFEHH-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575002029 950650812 /nfs/dbraw/zinc/65/08/12/950650812.db2.gz YPLSMXFPSZFEHH-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576213840 950650977 /nfs/dbraw/zinc/65/09/77/950650977.db2.gz JGMQLQIIEQHCHR-ZYHUDNBSSA-N -1 1 383.416 0.897 20 0 GCADMM C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576213840 950650989 /nfs/dbraw/zinc/65/09/89/950650989.db2.gz JGMQLQIIEQHCHR-ZYHUDNBSSA-N -1 1 383.416 0.897 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccncc1 ZINC001575923274 950654556 /nfs/dbraw/zinc/65/45/56/950654556.db2.gz QDBRWZWDARHWJA-OCCSQVGLSA-N -1 1 379.428 0.508 20 0 GCADMM CCN1CCN(CC(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)CC1 ZINC001589744510 950657114 /nfs/dbraw/zinc/65/71/14/950657114.db2.gz UKEYLUIYKYFQHS-FUHWJXTLSA-N -1 1 388.468 0.167 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574760162 950657297 /nfs/dbraw/zinc/65/72/97/950657297.db2.gz GRCRDZBJZABQQC-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574760162 950657308 /nfs/dbraw/zinc/65/73/08/950657308.db2.gz GRCRDZBJZABQQC-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574760204 950659424 /nfs/dbraw/zinc/65/94/24/950659424.db2.gz UQLNWTFLWWFQSW-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574760204 950659437 /nfs/dbraw/zinc/65/94/37/950659437.db2.gz UQLNWTFLWWFQSW-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccco1 ZINC001574518753 950660273 /nfs/dbraw/zinc/66/02/73/950660273.db2.gz RAUUFZCWSNLAAO-KVFJLYFUSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccco1 ZINC001574518753 950660290 /nfs/dbraw/zinc/66/02/90/950660290.db2.gz RAUUFZCWSNLAAO-KVFJLYFUSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@H](CNC(=O)c1cc(F)c(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575002571 950662792 /nfs/dbraw/zinc/66/27/92/950662792.db2.gz VJTMALVMDLQSAL-SSDOTTSWSA-N -1 1 378.318 0.726 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@](CO)(Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575624496 950664972 /nfs/dbraw/zinc/66/49/72/950664972.db2.gz JSBAJTKSNMZFSA-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC(C(=O)N2CCC[C@](CO)(Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575624496 950664983 /nfs/dbraw/zinc/66/49/83/950664983.db2.gz JSBAJTKSNMZFSA-SFHVURJKSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760531 950668673 /nfs/dbraw/zinc/66/86/73/950668673.db2.gz WOBGVUZPFNXNGN-QMMMGPOBSA-N -1 1 378.347 0.243 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576214496 950670273 /nfs/dbraw/zinc/67/02/73/950670273.db2.gz AWMSWGRFCQUXRZ-YGRLFVJLSA-N -1 1 382.432 0.038 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576214432 950670753 /nfs/dbraw/zinc/67/07/53/950670753.db2.gz AKNPGUMKFHXJEV-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576214432 950670762 /nfs/dbraw/zinc/67/07/62/950670762.db2.gz AKNPGUMKFHXJEV-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576214494 950671204 /nfs/dbraw/zinc/67/12/04/950671204.db2.gz AWMSWGRFCQUXRZ-IINYFYTJSA-N -1 1 382.432 0.038 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760646 950671454 /nfs/dbraw/zinc/67/14/54/950671454.db2.gz KPOCNVJDGZZVHI-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760646 950671465 /nfs/dbraw/zinc/67/14/65/950671465.db2.gz KPOCNVJDGZZVHI-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760654 950672338 /nfs/dbraw/zinc/67/23/38/950672338.db2.gz KQRVCZVHTJFDCT-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760654 950672352 /nfs/dbraw/zinc/67/23/52/950672352.db2.gz KQRVCZVHTJFDCT-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccn2nccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760707 950676202 /nfs/dbraw/zinc/67/62/02/950676202.db2.gz YHHFIHRNGANIHM-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccn2nccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760707 950676215 /nfs/dbraw/zinc/67/62/15/950676215.db2.gz YHHFIHRNGANIHM-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576214676 950680294 /nfs/dbraw/zinc/68/02/94/950680294.db2.gz BPXBZEFWJYBZDR-BMIGLBTASA-N -1 1 382.432 0.298 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576214676 950680307 /nfs/dbraw/zinc/68/03/07/950680307.db2.gz BPXBZEFWJYBZDR-BMIGLBTASA-N -1 1 382.432 0.298 20 0 GCADMM C[C@H]1CCc2nc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)cn2C1 ZINC001576214720 950680397 /nfs/dbraw/zinc/68/03/97/950680397.db2.gz BTACMYDZCLFLFQ-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCc2nc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)cn2C1 ZINC001576214720 950680410 /nfs/dbraw/zinc/68/04/10/950680410.db2.gz BTACMYDZCLFLFQ-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)N(C)CCNc3cncc(-c4nnn[n-]4)n3)cn2C1 ZINC001576214780 950681855 /nfs/dbraw/zinc/68/18/55/950681855.db2.gz CCCZAQVDGLRWIZ-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)N(C)CCNc3cncc(-c4nn[n-]n4)n3)cn2C1 ZINC001576214780 950681869 /nfs/dbraw/zinc/68/18/69/950681869.db2.gz CCCZAQVDGLRWIZ-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576214840 950683728 /nfs/dbraw/zinc/68/37/28/950683728.db2.gz CPQGOCSJBYUWQC-YGRLFVJLSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575925665 950688112 /nfs/dbraw/zinc/68/81/12/950688112.db2.gz HWKMQZLGZRQPSS-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575925665 950688125 /nfs/dbraw/zinc/68/81/25/950688125.db2.gz HWKMQZLGZRQPSS-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ncccc1F ZINC001575925570 950688772 /nfs/dbraw/zinc/68/87/72/950688772.db2.gz HNEBSAGKGVKITA-PWSUYJOCSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ncccc1F ZINC001575925570 950688784 /nfs/dbraw/zinc/68/87/84/950688784.db2.gz HNEBSAGKGVKITA-PWSUYJOCSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574519626 950689472 /nfs/dbraw/zinc/68/94/72/950689472.db2.gz XFQYBFMPDTZPCB-FPMFFAJLSA-N -1 1 379.428 0.727 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575925662 950690471 /nfs/dbraw/zinc/69/04/71/950690471.db2.gz HWKMQZLGZRQPSS-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575925662 950690489 /nfs/dbraw/zinc/69/04/89/950690489.db2.gz HWKMQZLGZRQPSS-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574519630 950691324 /nfs/dbraw/zinc/69/13/24/950691324.db2.gz XFQYBFMPDTZPCB-UBHSHLNASA-N -1 1 379.428 0.727 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001575925782 950691893 /nfs/dbraw/zinc/69/18/93/950691893.db2.gz UUVHPWCQUCIXSZ-VXGBXAGGSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576215215 950692167 /nfs/dbraw/zinc/69/21/67/950692167.db2.gz DRWPTXOEDGHPCV-NXEZZACHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574761149 950692751 /nfs/dbraw/zinc/69/27/51/950692751.db2.gz RDCDEYVRPUXONT-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574761149 950692762 /nfs/dbraw/zinc/69/27/62/950692762.db2.gz RDCDEYVRPUXONT-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575005612 950693026 /nfs/dbraw/zinc/69/30/26/950693026.db2.gz IXOCHWLIBYOIJC-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575005612 950693043 /nfs/dbraw/zinc/69/30/43/950693043.db2.gz IXOCHWLIBYOIJC-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576215363 950695935 /nfs/dbraw/zinc/69/59/35/950695935.db2.gz FREIABWJYVFZSU-MEBBXXQBSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576215361 950697407 /nfs/dbraw/zinc/69/74/07/950697407.db2.gz FREIABWJYVFZSU-BONVTDFDSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574762140 950698773 /nfs/dbraw/zinc/69/87/73/950698773.db2.gz VSPYOXRMWRFWHT-LLVKDONJSA-N -1 1 382.432 0.184 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001574519902 950704374 /nfs/dbraw/zinc/70/43/74/950704374.db2.gz JSHZXXRDVWKNBN-PVTKRXDGSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001574519902 950704391 /nfs/dbraw/zinc/70/43/91/950704391.db2.gz JSHZXXRDVWKNBN-PVTKRXDGSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@@H]1CCCO1 ZINC001574520004 950706565 /nfs/dbraw/zinc/70/65/65/950706565.db2.gz ZMJVDWSVNCSLQC-GFZQMZQVSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@@H]1CCCO1 ZINC001574520004 950706583 /nfs/dbraw/zinc/70/65/83/950706583.db2.gz ZMJVDWSVNCSLQC-GFZQMZQVSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575926446 950709487 /nfs/dbraw/zinc/70/94/87/950709487.db2.gz KBMOQONUJYZGSS-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575926446 950709497 /nfs/dbraw/zinc/70/94/97/950709497.db2.gz KBMOQONUJYZGSS-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763418 950713722 /nfs/dbraw/zinc/71/37/22/950713722.db2.gz APXVUBWQVVLZOK-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763418 950713736 /nfs/dbraw/zinc/71/37/36/950713736.db2.gz APXVUBWQVVLZOK-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575926656 950719299 /nfs/dbraw/zinc/71/92/99/950719299.db2.gz YAMHLDNXPLEIRZ-PSASIEDQSA-N -1 1 390.358 0.385 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763611 950723838 /nfs/dbraw/zinc/72/38/38/950723838.db2.gz GOOTWOABYIKHMV-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763611 950723857 /nfs/dbraw/zinc/72/38/57/950723857.db2.gz GOOTWOABYIKHMV-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763639 950726726 /nfs/dbraw/zinc/72/67/26/950726726.db2.gz HDBSFPNSNPHINO-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763639 950726739 /nfs/dbraw/zinc/72/67/39/950726739.db2.gz HDBSFPNSNPHINO-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575926895 950727976 /nfs/dbraw/zinc/72/79/76/950727976.db2.gz ZAFONMWUSYJUNB-CMPLNLGQSA-N -1 1 385.457 0.569 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576216314 950728210 /nfs/dbraw/zinc/72/82/10/950728210.db2.gz DGRGEOMIRBIUPA-XIKOKIGWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576216314 950728225 /nfs/dbraw/zinc/72/82/25/950728225.db2.gz DGRGEOMIRBIUPA-XIKOKIGWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001575927064 950729811 /nfs/dbraw/zinc/72/98/11/950729811.db2.gz ZWZBBOVHWNCPGB-PWSUYJOCSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575927047 950731106 /nfs/dbraw/zinc/73/11/06/950731106.db2.gz ZUUPYLGVDRIXQC-MNOVXSKESA-N -1 1 385.457 0.569 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575927019 950731229 /nfs/dbraw/zinc/73/12/29/950731229.db2.gz ZSAJGPGQOKCKHS-BDAKNGLRSA-N -1 1 390.358 0.385 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575927055 950731729 /nfs/dbraw/zinc/73/17/29/950731729.db2.gz ZWJXQOJCSZFDIC-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575927055 950731743 /nfs/dbraw/zinc/73/17/43/950731743.db2.gz ZWJXQOJCSZFDIC-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574180950 950734954 /nfs/dbraw/zinc/73/49/54/950734954.db2.gz HBHHENPEJZZFDT-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574180950 950734961 /nfs/dbraw/zinc/73/49/61/950734961.db2.gz HBHHENPEJZZFDT-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763818 950735345 /nfs/dbraw/zinc/73/53/45/950735345.db2.gz LOHNWXCRWHQGOE-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763818 950735357 /nfs/dbraw/zinc/73/53/57/950735357.db2.gz LOHNWXCRWHQGOE-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927302 950738937 /nfs/dbraw/zinc/73/89/37/950738937.db2.gz OXHSPVVEJQQTIL-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927302 950738951 /nfs/dbraw/zinc/73/89/51/950738951.db2.gz OXHSPVVEJQQTIL-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)no1 ZINC001573880127 950739306 /nfs/dbraw/zinc/73/93/06/950739306.db2.gz SRCXQLOQPSYNBP-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)no1 ZINC001573880127 950739321 /nfs/dbraw/zinc/73/93/21/950739321.db2.gz SRCXQLOQPSYNBP-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)no1 ZINC001573880217 950741141 /nfs/dbraw/zinc/74/11/41/950741141.db2.gz UHSWYADDWXGWPH-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)no1 ZINC001573880217 950741155 /nfs/dbraw/zinc/74/11/55/950741155.db2.gz UHSWYADDWXGWPH-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccco1 ZINC001574520629 950741690 /nfs/dbraw/zinc/74/16/90/950741690.db2.gz VRDFOKBVDXSKSQ-UUIJZJDISA-N -1 1 380.412 0.994 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccco1 ZINC001574520629 950741701 /nfs/dbraw/zinc/74/17/01/950741701.db2.gz VRDFOKBVDXSKSQ-UUIJZJDISA-N -1 1 380.412 0.994 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574181457 950742570 /nfs/dbraw/zinc/74/25/70/950742570.db2.gz OBKVFCCQUSKISL-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574181457 950742584 /nfs/dbraw/zinc/74/25/84/950742584.db2.gz OBKVFCCQUSKISL-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575927340 950742610 /nfs/dbraw/zinc/74/26/10/950742610.db2.gz PGXYKEWWODHGSE-MWLCHTKSSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575927340 950742619 /nfs/dbraw/zinc/74/26/19/950742619.db2.gz PGXYKEWWODHGSE-MWLCHTKSSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575927341 950744941 /nfs/dbraw/zinc/74/49/41/950744941.db2.gz PGXYKEWWODHGSE-ONGXEEELSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575927341 950744957 /nfs/dbraw/zinc/74/49/57/950744957.db2.gz PGXYKEWWODHGSE-ONGXEEELSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576216947 950746057 /nfs/dbraw/zinc/74/60/57/950746057.db2.gz KKRPILHXDBVGND-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576216947 950746070 /nfs/dbraw/zinc/74/60/70/950746070.db2.gz KKRPILHXDBVGND-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574182027 950753472 /nfs/dbraw/zinc/75/34/72/950753472.db2.gz SETLKPTXTTZESK-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574182027 950753492 /nfs/dbraw/zinc/75/34/92/950753492.db2.gz SETLKPTXTTZESK-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574182016 950753728 /nfs/dbraw/zinc/75/37/28/950753728.db2.gz SAEKFBYCZMONDN-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574182016 950753743 /nfs/dbraw/zinc/75/37/43/950753743.db2.gz SAEKFBYCZMONDN-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574182118 950758799 /nfs/dbraw/zinc/75/87/99/950758799.db2.gz UYDNVTAUFBYQPB-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574182118 950758814 /nfs/dbraw/zinc/75/88/14/950758814.db2.gz UYDNVTAUFBYQPB-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574182677 950760462 /nfs/dbraw/zinc/76/04/62/950760462.db2.gz YBUMYKIBAAXOHK-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574182677 950760477 /nfs/dbraw/zinc/76/04/77/950760477.db2.gz YBUMYKIBAAXOHK-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575927914 950764953 /nfs/dbraw/zinc/76/49/53/950764953.db2.gz VZXVNTIZTKJIIP-KOLCDFICSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2nncn2c1 ZINC001575928041 950767986 /nfs/dbraw/zinc/76/79/86/950767986.db2.gz YCRJJASKSKCKLK-CMPLNLGQSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2nncn2c1 ZINC001575928041 950767999 /nfs/dbraw/zinc/76/79/99/950767999.db2.gz YCRJJASKSKCKLK-CMPLNLGQSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575927993 950768318 /nfs/dbraw/zinc/76/83/18/950768318.db2.gz XFMIYYYPIALLLC-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575927993 950768332 /nfs/dbraw/zinc/76/83/32/950768332.db2.gz XFMIYYYPIALLLC-BDAKNGLRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575929299 950782109 /nfs/dbraw/zinc/78/21/09/950782109.db2.gz BPFHVUKTPADMJB-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575929299 950782125 /nfs/dbraw/zinc/78/21/25/950782125.db2.gz BPFHVUKTPADMJB-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576218280 950782659 /nfs/dbraw/zinc/78/26/59/950782659.db2.gz PWEHBNUVNQFESA-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576218280 950782673 /nfs/dbraw/zinc/78/26/73/950782673.db2.gz PWEHBNUVNQFESA-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)nc2C1 ZINC001576218322 950786633 /nfs/dbraw/zinc/78/66/33/950786633.db2.gz QRTJMSBGIMCPSY-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)nc2C1 ZINC001576218322 950786650 /nfs/dbraw/zinc/78/66/50/950786650.db2.gz QRTJMSBGIMCPSY-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)O1 ZINC001576218816 950793893 /nfs/dbraw/zinc/79/38/93/950793893.db2.gz MRIOAZQVLMCXBO-XIKOKIGWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)O1 ZINC001576218816 950793911 /nfs/dbraw/zinc/79/39/11/950793911.db2.gz MRIOAZQVLMCXBO-XIKOKIGWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575930653 950796480 /nfs/dbraw/zinc/79/64/80/950796480.db2.gz FUBSWHWEWUDDSX-IUCAKERBSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575930653 950796494 /nfs/dbraw/zinc/79/64/94/950796494.db2.gz FUBSWHWEWUDDSX-IUCAKERBSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc2ccccn21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765683 950798290 /nfs/dbraw/zinc/79/82/90/950798290.db2.gz JLZTWGCASWSZIN-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc2ccccn21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765683 950798307 /nfs/dbraw/zinc/79/83/07/950798307.db2.gz JLZTWGCASWSZIN-LLVKDONJSA-N -1 1 378.400 0.877 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)C1 ZINC001575632493 950802517 /nfs/dbraw/zinc/80/25/17/950802517.db2.gz JWGAKLVUCIBEBQ-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)C1 ZINC001575632493 950802531 /nfs/dbraw/zinc/80/25/31/950802531.db2.gz JWGAKLVUCIBEBQ-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575931505 950804348 /nfs/dbraw/zinc/80/43/48/950804348.db2.gz IGHQTDXJJPAOLT-WDEREUQCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575931505 950804369 /nfs/dbraw/zinc/80/43/69/950804369.db2.gz IGHQTDXJJPAOLT-WDEREUQCSA-N -1 1 381.400 0.071 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)C1 ZINC001575632891 950805741 /nfs/dbraw/zinc/80/57/41/950805741.db2.gz OYSPTAJFOLSVRL-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)C1 ZINC001575632891 950805752 /nfs/dbraw/zinc/80/57/52/950805752.db2.gz OYSPTAJFOLSVRL-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575932239 950821946 /nfs/dbraw/zinc/82/19/46/950821946.db2.gz KZNQDMZZSCFSII-VXGBXAGGSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575932239 950821966 /nfs/dbraw/zinc/82/19/66/950821966.db2.gz KZNQDMZZSCFSII-VXGBXAGGSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575932267 950825199 /nfs/dbraw/zinc/82/51/99/950825199.db2.gz LEMFPPLYTRPSHR-WDEREUQCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575932267 950825221 /nfs/dbraw/zinc/82/52/21/950825221.db2.gz LEMFPPLYTRPSHR-WDEREUQCSA-N -1 1 380.416 0.515 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573885451 950826521 /nfs/dbraw/zinc/82/65/21/950826521.db2.gz XCGCVQLRMPPKEV-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573885451 950826544 /nfs/dbraw/zinc/82/65/44/950826544.db2.gz XCGCVQLRMPPKEV-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575932793 950833117 /nfs/dbraw/zinc/83/31/17/950833117.db2.gz MVGNXRQHOJBAGX-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1ccnc1 ZINC001575932793 950833140 /nfs/dbraw/zinc/83/31/40/950833140.db2.gz MVGNXRQHOJBAGX-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1nc[nH]n1 ZINC001575933276 950841667 /nfs/dbraw/zinc/84/16/67/950841667.db2.gz NTQJJBKUSIQJGD-RITPCOANSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575933743 950843723 /nfs/dbraw/zinc/84/37/23/950843723.db2.gz PMBXLZBGULDMLB-RITPCOANSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575934133 950850594 /nfs/dbraw/zinc/85/05/94/950850594.db2.gz QILGVTDLIVVNHC-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575934133 950850616 /nfs/dbraw/zinc/85/06/16/950850616.db2.gz QILGVTDLIVVNHC-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221297 950852916 /nfs/dbraw/zinc/85/29/16/950852916.db2.gz ZGGCNLYBTAFNGY-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221297 950852939 /nfs/dbraw/zinc/85/29/39/950852939.db2.gz ZGGCNLYBTAFNGY-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573888144 950859265 /nfs/dbraw/zinc/85/92/65/950859265.db2.gz PEXOAPHNTMGVIW-MGCOHNPYSA-N -1 1 383.416 0.737 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CN2CCCCS2(=O)=O)n1 ZINC001573888015 950860022 /nfs/dbraw/zinc/86/00/22/950860022.db2.gz NTHFYKDBKDZZTF-UHFFFAOYSA-N -1 1 382.450 0.182 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CN2CCCCS2(=O)=O)n1 ZINC001573888015 950860041 /nfs/dbraw/zinc/86/00/41/950860041.db2.gz NTHFYKDBKDZZTF-UHFFFAOYSA-N -1 1 382.450 0.182 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2nonc2c1 ZINC001575934501 950861365 /nfs/dbraw/zinc/86/13/65/950861365.db2.gz SATDBDCOULHWMC-MWLCHTKSSA-N -1 1 392.383 0.908 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2nonc2c1 ZINC001575934501 950861381 /nfs/dbraw/zinc/86/13/81/950861381.db2.gz SATDBDCOULHWMC-MWLCHTKSSA-N -1 1 392.383 0.908 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573888197 950864416 /nfs/dbraw/zinc/86/44/16/950864416.db2.gz RVWBSVGEJKCCJQ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573888197 950864433 /nfs/dbraw/zinc/86/44/33/950864433.db2.gz RVWBSVGEJKCCJQ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575934811 950868267 /nfs/dbraw/zinc/86/82/67/950868267.db2.gz UAGLBBNKFSJGKF-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575934811 950868286 /nfs/dbraw/zinc/86/82/86/950868286.db2.gz UAGLBBNKFSJGKF-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCOC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639436 950870523 /nfs/dbraw/zinc/87/05/23/950870523.db2.gz BNDKRWBMVBMYFH-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCOC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639436 950870539 /nfs/dbraw/zinc/87/05/39/950870539.db2.gz BNDKRWBMVBMYFH-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767975 950873948 /nfs/dbraw/zinc/87/39/48/950873948.db2.gz WHXVLKGJDGBZLW-MRVPVSSYSA-N -1 1 375.343 0.324 20 0 GCADMM C[C@@H](CN(C)C(=O)c1csc(Cl)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767963 950875173 /nfs/dbraw/zinc/87/51/73/950875173.db2.gz VVCKMPJDHOYYJW-ZETCQYMHSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767977 950876245 /nfs/dbraw/zinc/87/62/45/950876245.db2.gz WHXVLKGJDGBZLW-QMMMGPOBSA-N -1 1 375.343 0.324 20 0 GCADMM C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574768321 950883400 /nfs/dbraw/zinc/88/34/00/950883400.db2.gz UHQLVRNKXSIXBZ-RXMQYKEDSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574768321 950883415 /nfs/dbraw/zinc/88/34/15/950883415.db2.gz UHQLVRNKXSIXBZ-RXMQYKEDSA-N -1 1 383.829 0.073 20 0 GCADMM CC(C)(C)n1ncnc1CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001573893556 950888132 /nfs/dbraw/zinc/88/81/32/950888132.db2.gz KZAZYQPPZIPWFJ-UHFFFAOYSA-N -1 1 382.475 0.894 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576226865 950891915 /nfs/dbraw/zinc/89/19/15/950891915.db2.gz CLHUGDHWOZNVAI-XIKOKIGWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574768581 950896332 /nfs/dbraw/zinc/89/63/32/950896332.db2.gz ZJIFORLZEWAAER-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574768581 950896344 /nfs/dbraw/zinc/89/63/44/950896344.db2.gz ZJIFORLZEWAAER-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574527665 950900017 /nfs/dbraw/zinc/90/00/17/950900017.db2.gz FPCLPZSCPBBBNB-UWVGGRQHSA-N -1 1 384.400 0.622 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574768855 950901470 /nfs/dbraw/zinc/90/14/70/950901470.db2.gz WTAVEWPBWWPKFD-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574768855 950901478 /nfs/dbraw/zinc/90/14/78/950901478.db2.gz WTAVEWPBWWPKFD-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM CC(C)(C)n1cnc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001573893817 950902815 /nfs/dbraw/zinc/90/28/15/950902815.db2.gz XZRGGYCTNSHJTB-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC(C)(C)n1cnc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001573893817 950902834 /nfs/dbraw/zinc/90/28/34/950902834.db2.gz XZRGGYCTNSHJTB-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893798 950903155 /nfs/dbraw/zinc/90/31/55/950903155.db2.gz WVAGZYFQCBLZRQ-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893798 950903172 /nfs/dbraw/zinc/90/31/72/950903172.db2.gz WVAGZYFQCBLZRQ-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768909 950903055 /nfs/dbraw/zinc/90/30/55/950903055.db2.gz XGUAGUYUUHMBLG-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768909 950903074 /nfs/dbraw/zinc/90/30/74/950903074.db2.gz XGUAGUYUUHMBLG-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576227459 950911222 /nfs/dbraw/zinc/91/12/22/950911222.db2.gz CTRDXQCMLDDWHA-NEPJUHHUSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576227459 950911242 /nfs/dbraw/zinc/91/12/42/950911242.db2.gz CTRDXQCMLDDWHA-NEPJUHHUSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576227480 950911867 /nfs/dbraw/zinc/91/18/67/950911867.db2.gz DBMAPAOURRHKGD-OLZOCXBDSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576227480 950911879 /nfs/dbraw/zinc/91/18/79/950911879.db2.gz DBMAPAOURRHKGD-OLZOCXBDSA-N -1 1 386.460 0.980 20 0 GCADMM CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574190364 950914071 /nfs/dbraw/zinc/91/40/71/950914071.db2.gz XFPANWMDTZGXTN-SFHVURJKSA-N -1 1 388.476 0.931 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573894022 950916648 /nfs/dbraw/zinc/91/66/48/950916648.db2.gz JBNIWYDLOKYCAK-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573894022 950916654 /nfs/dbraw/zinc/91/66/54/950916654.db2.gz JBNIWYDLOKYCAK-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573894107 950921509 /nfs/dbraw/zinc/92/15/09/950921509.db2.gz MDLUHITYQBGGJQ-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573894107 950921522 /nfs/dbraw/zinc/92/15/22/950921522.db2.gz MDLUHITYQBGGJQ-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573894108 950922784 /nfs/dbraw/zinc/92/27/84/950922784.db2.gz MDLUHITYQBGGJQ-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573894108 950922793 /nfs/dbraw/zinc/92/27/93/950922793.db2.gz MDLUHITYQBGGJQ-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573894136 950923163 /nfs/dbraw/zinc/92/31/63/950923163.db2.gz NFMCRRBUTCSTOD-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573894136 950923177 /nfs/dbraw/zinc/92/31/77/950923177.db2.gz NFMCRRBUTCSTOD-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCCC1=O ZINC001575936805 950926334 /nfs/dbraw/zinc/92/63/34/950926334.db2.gz IMCRIEDHFUGQNZ-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCCC1=O ZINC001575936805 950926353 /nfs/dbraw/zinc/92/63/53/950926353.db2.gz IMCRIEDHFUGQNZ-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573894430 950929883 /nfs/dbraw/zinc/92/98/83/950929883.db2.gz RPTKZGHCGQXBCE-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573894430 950929900 /nfs/dbraw/zinc/92/99/00/950929900.db2.gz RPTKZGHCGQXBCE-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ncccn1 ZINC001575936850 950930488 /nfs/dbraw/zinc/93/04/88/950930488.db2.gz IYERWGXRKLNFBN-NEPJUHHUSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ncccn1 ZINC001575936850 950930502 /nfs/dbraw/zinc/93/05/02/950930502.db2.gz IYERWGXRKLNFBN-NEPJUHHUSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575937262 950940359 /nfs/dbraw/zinc/94/03/59/950940359.db2.gz JRCHYJVHGRCXFE-JQWIXIFHSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575937262 950940374 /nfs/dbraw/zinc/94/03/74/950940374.db2.gz JRCHYJVHGRCXFE-JQWIXIFHSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575937275 950941829 /nfs/dbraw/zinc/94/18/29/950941829.db2.gz JUPIBFBWPVAKHA-MNOVXSKESA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575937275 950941835 /nfs/dbraw/zinc/94/18/35/950941835.db2.gz JUPIBFBWPVAKHA-MNOVXSKESA-N -1 1 380.416 0.515 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643105 950959770 /nfs/dbraw/zinc/95/97/70/950959770.db2.gz XXWIYLYICQUVCD-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1nc[nH]n1 ZINC001575937998 950964319 /nfs/dbraw/zinc/96/43/19/950964319.db2.gz IEPHXYYYBANKNC-WDSKDSINSA-N -1 1 380.825 0.810 20 0 GCADMM CC1(C)C[C@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c2ccccc21 ZINC001575643207 950965242 /nfs/dbraw/zinc/96/52/42/950965242.db2.gz ZXADECJUWAELSY-ZDUSSCGKSA-N -1 1 381.396 0.668 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576229497 950967392 /nfs/dbraw/zinc/96/73/92/950967392.db2.gz JTVYKBHHUDZUCL-PWSUYJOCSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576229497 950967404 /nfs/dbraw/zinc/96/74/04/950967404.db2.gz JTVYKBHHUDZUCL-PWSUYJOCSA-N -1 1 376.396 0.434 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)CC(F)F ZINC001573898151 950973077 /nfs/dbraw/zinc/97/30/77/950973077.db2.gz YGUDGMOZAMKIKG-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)CC(F)F ZINC001573898151 950973093 /nfs/dbraw/zinc/97/30/93/950973093.db2.gz YGUDGMOZAMKIKG-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)CCCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574195214 950973995 /nfs/dbraw/zinc/97/39/95/950973995.db2.gz JEBMYCKMYHDFQI-KGLIPLIRSA-N -1 1 388.476 0.929 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643865 950979341 /nfs/dbraw/zinc/97/93/41/950979341.db2.gz PQVOJGQCELDMFV-CHWSQXEVSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643865 950979358 /nfs/dbraw/zinc/97/93/58/950979358.db2.gz PQVOJGQCELDMFV-CHWSQXEVSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccn1 ZINC001575938437 950983803 /nfs/dbraw/zinc/98/38/03/950983803.db2.gz NMANUXWNEZMRCR-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccn1 ZINC001575938437 950983814 /nfs/dbraw/zinc/98/38/14/950983814.db2.gz NMANUXWNEZMRCR-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573899568 950983888 /nfs/dbraw/zinc/98/38/88/950983888.db2.gz FPRLBUVJGCJKLX-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573899568 950983900 /nfs/dbraw/zinc/98/39/00/950983900.db2.gz FPRLBUVJGCJKLX-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573899843 950988909 /nfs/dbraw/zinc/98/89/09/950988909.db2.gz LNQJLEJRDWRVGW-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573899843 950988926 /nfs/dbraw/zinc/98/89/26/950988926.db2.gz LNQJLEJRDWRVGW-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001575644684 950993694 /nfs/dbraw/zinc/99/36/94/950993694.db2.gz WKDIBYTUDNLTDK-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001575644684 950993710 /nfs/dbraw/zinc/99/37/10/950993710.db2.gz WKDIBYTUDNLTDK-KPZWWZAWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575017468 950995552 /nfs/dbraw/zinc/99/55/52/950995552.db2.gz GRMPSJFUTQLNPD-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001573900195 951000023 /nfs/dbraw/zinc/00/00/23/951000023.db2.gz UKIGQTNBWSVJBX-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001573900195 951000052 /nfs/dbraw/zinc/00/00/52/951000052.db2.gz UKIGQTNBWSVJBX-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001575939019 951000269 /nfs/dbraw/zinc/00/02/69/951000269.db2.gz OEQQCVIXNQVTQR-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001575939019 951000290 /nfs/dbraw/zinc/00/02/90/951000290.db2.gz OEQQCVIXNQVTQR-OLZOCXBDSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574195615 951002325 /nfs/dbraw/zinc/00/23/25/951002325.db2.gz UWTPOWJAHQRMMG-ZIAGYGMSSA-N -1 1 388.476 0.929 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023871 951086048 /nfs/dbraw/zinc/08/60/48/951086048.db2.gz RDOKRYOSBVORIM-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023871 951086056 /nfs/dbraw/zinc/08/60/56/951086056.db2.gz RDOKRYOSBVORIM-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024384 951102161 /nfs/dbraw/zinc/10/21/61/951102161.db2.gz CNTKIPSWGFWIJO-NSHDSACASA-N -1 1 379.428 0.301 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1nccnc1-c1nnn[n-]1 ZINC001575024482 951103696 /nfs/dbraw/zinc/10/36/96/951103696.db2.gz FNNRNTCMGQDAJY-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1nccnc1-c1nn[n-]n1 ZINC001575024482 951103708 /nfs/dbraw/zinc/10/37/08/951103708.db2.gz FNNRNTCMGQDAJY-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024917 951119914 /nfs/dbraw/zinc/11/99/14/951119914.db2.gz PSYFFMUNPNVFTP-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024917 951119916 /nfs/dbraw/zinc/11/99/16/951119916.db2.gz PSYFFMUNPNVFTP-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc2cnccc2n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026264 951140385 /nfs/dbraw/zinc/14/03/85/951140385.db2.gz HZVHYYGIXHOELB-LLVKDONJSA-N -1 1 390.411 0.855 20 0 GCADMM C[C@H](CNC(=O)c1ccc2cnccc2n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026264 951140393 /nfs/dbraw/zinc/14/03/93/951140393.db2.gz HZVHYYGIXHOELB-LLVKDONJSA-N -1 1 390.411 0.855 20 0 GCADMM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CO1 ZINC001595002081 951142635 /nfs/dbraw/zinc/14/26/35/951142635.db2.gz ROJFOGVZQZDZKY-BRWVUGGUSA-N -1 1 383.489 0.169 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575026896 951147614 /nfs/dbraw/zinc/14/76/14/951147614.db2.gz NLZDBZFUOJADMS-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575026896 951147627 /nfs/dbraw/zinc/14/76/27/951147627.db2.gz NLZDBZFUOJADMS-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575027353 951155842 /nfs/dbraw/zinc/15/58/42/951155842.db2.gz FPWAZWOGJXNBTL-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575027353 951155845 /nfs/dbraw/zinc/15/58/45/951155845.db2.gz FPWAZWOGJXNBTL-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575027573 951160219 /nfs/dbraw/zinc/16/02/19/951160219.db2.gz GJMGKUSONPDGNN-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575027573 951160225 /nfs/dbraw/zinc/16/02/25/951160225.db2.gz GJMGKUSONPDGNN-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027915 951162320 /nfs/dbraw/zinc/16/23/20/951162320.db2.gz IUHUPXORWFLVMM-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575028055 951167670 /nfs/dbraw/zinc/16/76/70/951167670.db2.gz TZCMCFGSOHGWAX-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575028055 951167674 /nfs/dbraw/zinc/16/76/74/951167674.db2.gz TZCMCFGSOHGWAX-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575028483 951175140 /nfs/dbraw/zinc/17/51/40/951175140.db2.gz XNPIXIUEMVJYRC-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575028483 951175146 /nfs/dbraw/zinc/17/51/46/951175146.db2.gz XNPIXIUEMVJYRC-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575029357 951185245 /nfs/dbraw/zinc/18/52/45/951185245.db2.gz SXVAELOPOPZEJD-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575029357 951185254 /nfs/dbraw/zinc/18/52/54/951185254.db2.gz SXVAELOPOPZEJD-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccn2nccc12)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575031662 951199309 /nfs/dbraw/zinc/19/93/09/951199309.db2.gz GHCJXQMKHNBFHV-LLVKDONJSA-N -1 1 378.400 0.782 20 0 GCADMM C[C@@H](CNC(=O)c1cccn2nccc12)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575031662 951199315 /nfs/dbraw/zinc/19/93/15/951199315.db2.gz GHCJXQMKHNBFHV-LLVKDONJSA-N -1 1 378.400 0.782 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575032165 951219345 /nfs/dbraw/zinc/21/93/45/951219345.db2.gz SFVONMASMSQKJO-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575033943 951235529 /nfs/dbraw/zinc/23/55/29/951235529.db2.gz FFAREHUKBDRSMM-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575033943 951235538 /nfs/dbraw/zinc/23/55/38/951235538.db2.gz FFAREHUKBDRSMM-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575034242 951241074 /nfs/dbraw/zinc/24/10/74/951241074.db2.gz KGXYWQWZTCBFTR-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575034242 951241083 /nfs/dbraw/zinc/24/10/83/951241083.db2.gz KGXYWQWZTCBFTR-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575034700 951253187 /nfs/dbraw/zinc/25/31/87/951253187.db2.gz CBFQGVYVNZPQRI-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575035058 951267783 /nfs/dbraw/zinc/26/77/83/951267783.db2.gz UAVIOWHVHFLCLR-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575035058 951267797 /nfs/dbraw/zinc/26/77/97/951267797.db2.gz UAVIOWHVHFLCLR-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575035455 951274270 /nfs/dbraw/zinc/27/42/70/951274270.db2.gz IOIAYYUNFRQOJY-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575035455 951274284 /nfs/dbraw/zinc/27/42/84/951274284.db2.gz IOIAYYUNFRQOJY-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575035971 951285706 /nfs/dbraw/zinc/28/57/06/951285706.db2.gz NOLLSLDXJNLSIX-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575035971 951285717 /nfs/dbraw/zinc/28/57/17/951285717.db2.gz NOLLSLDXJNLSIX-QMMMGPOBSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575036517 951295491 /nfs/dbraw/zinc/29/54/91/951295491.db2.gz UBBQJBRSWXTPIM-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575036517 951295504 /nfs/dbraw/zinc/29/55/04/951295504.db2.gz UBBQJBRSWXTPIM-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575038252 951317607 /nfs/dbraw/zinc/31/76/07/951317607.db2.gz IKMNOHQOKWTMHU-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575038252 951317624 /nfs/dbraw/zinc/31/76/24/951317624.db2.gz IKMNOHQOKWTMHU-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575041771 951347385 /nfs/dbraw/zinc/34/73/85/951347385.db2.gz BVSDVKAJHXPAIL-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575041771 951347397 /nfs/dbraw/zinc/34/73/97/951347397.db2.gz BVSDVKAJHXPAIL-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575041770 951347520 /nfs/dbraw/zinc/34/75/20/951347520.db2.gz BVSDVKAJHXPAIL-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575041770 951347533 /nfs/dbraw/zinc/34/75/33/951347533.db2.gz BVSDVKAJHXPAIL-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575042578 951364797 /nfs/dbraw/zinc/36/47/97/951364797.db2.gz KXZDAMHWFIPJQQ-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575042578 951364815 /nfs/dbraw/zinc/36/48/15/951364815.db2.gz KXZDAMHWFIPJQQ-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM C[C@H](CNC(=O)c1cnc2ccccc2n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575042650 951370076 /nfs/dbraw/zinc/37/00/76/951370076.db2.gz ATWSQPWZQAJNSF-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1cnc2ccccc2n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575042650 951370081 /nfs/dbraw/zinc/37/00/81/951370081.db2.gz ATWSQPWZQAJNSF-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575042898 951372155 /nfs/dbraw/zinc/37/21/55/951372155.db2.gz NBUAWJHHAKGQHP-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575042898 951372167 /nfs/dbraw/zinc/37/21/67/951372167.db2.gz NBUAWJHHAKGQHP-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042786 951372728 /nfs/dbraw/zinc/37/27/28/951372728.db2.gz BRQGPQGESZIWBJ-SKDRFNHKSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042786 951372739 /nfs/dbraw/zinc/37/27/39/951372739.db2.gz BRQGPQGESZIWBJ-SKDRFNHKSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1cnc2ccccc2n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043010 951376667 /nfs/dbraw/zinc/37/66/67/951376667.db2.gz FJRORNOQDPSCFX-LLVKDONJSA-N -1 1 390.411 0.855 20 0 GCADMM C[C@H](CNC(=O)c1cnc2ccccc2n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043010 951376676 /nfs/dbraw/zinc/37/66/76/951376676.db2.gz FJRORNOQDPSCFX-LLVKDONJSA-N -1 1 390.411 0.855 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575042959 951377103 /nfs/dbraw/zinc/37/71/03/951377103.db2.gz DVDKPRGCRCKNDN-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575042959 951377112 /nfs/dbraw/zinc/37/71/12/951377112.db2.gz DVDKPRGCRCKNDN-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnc2cnccc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043164 951382339 /nfs/dbraw/zinc/38/23/39/951382339.db2.gz GITHFUAJTIOXPY-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1cnc2cnccc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043164 951382348 /nfs/dbraw/zinc/38/23/48/951382348.db2.gz GITHFUAJTIOXPY-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575043414 951390995 /nfs/dbraw/zinc/39/09/95/951390995.db2.gz IRDMONQCSGTCTP-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575043414 951391001 /nfs/dbraw/zinc/39/10/01/951391001.db2.gz IRDMONQCSGTCTP-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575043460 951392850 /nfs/dbraw/zinc/39/28/50/951392850.db2.gz JNNUSQGEFSLLAQ-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575043460 951392855 /nfs/dbraw/zinc/39/28/55/951392855.db2.gz JNNUSQGEFSLLAQ-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575043438 951394069 /nfs/dbraw/zinc/39/40/69/951394069.db2.gz JFGOSNXJGSZOIL-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575043438 951394077 /nfs/dbraw/zinc/39/40/77/951394077.db2.gz JFGOSNXJGSZOIL-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575043583 951399724 /nfs/dbraw/zinc/39/97/24/951399724.db2.gz KHSLLGLIUYLPFC-SNVBAGLBSA-N -1 1 382.432 0.975 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575043583 951399735 /nfs/dbraw/zinc/39/97/35/951399735.db2.gz KHSLLGLIUYLPFC-SNVBAGLBSA-N -1 1 382.432 0.975 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575043702 951403078 /nfs/dbraw/zinc/40/30/78/951403078.db2.gz MGYNBHSRRBALFC-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575043702 951403083 /nfs/dbraw/zinc/40/30/83/951403083.db2.gz MGYNBHSRRBALFC-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575044880 951419561 /nfs/dbraw/zinc/41/95/61/951419561.db2.gz WJCGRIOZYPEALP-SNVBAGLBSA-N -1 1 382.432 0.397 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1nccnc1-c1nnn[n-]1 ZINC001575044959 951423138 /nfs/dbraw/zinc/42/31/38/951423138.db2.gz YBQNYMMFNXSSKV-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1nccnc1-c1nn[n-]n1 ZINC001575044959 951423144 /nfs/dbraw/zinc/42/31/44/951423144.db2.gz YBQNYMMFNXSSKV-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575045602 951430942 /nfs/dbraw/zinc/43/09/42/951430942.db2.gz FDRHZGSQFKSDND-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575045602 951430946 /nfs/dbraw/zinc/43/09/46/951430946.db2.gz FDRHZGSQFKSDND-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cncc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575045953 951435775 /nfs/dbraw/zinc/43/57/75/951435775.db2.gz JUMAIENODSLSSQ-NSHDSACASA-N -1 1 375.396 0.857 20 0 GCADMM C[C@H](CNC(=O)c1cncn1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575046224 951438849 /nfs/dbraw/zinc/43/88/49/951438849.db2.gz LMKJMDBGJFHREQ-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cncn1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575046224 951438855 /nfs/dbraw/zinc/43/88/55/951438855.db2.gz LMKJMDBGJFHREQ-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cncn1-c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575046604 951443948 /nfs/dbraw/zinc/44/39/48/951443948.db2.gz PYQWGCJNBMHQAT-GFCCVEGCSA-N -1 1 390.411 0.495 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575051920 951456681 /nfs/dbraw/zinc/45/66/81/951456681.db2.gz AVTADCITUYCWQN-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575051920 951456691 /nfs/dbraw/zinc/45/66/91/951456691.db2.gz AVTADCITUYCWQN-QMMMGPOBSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575051956 951457157 /nfs/dbraw/zinc/45/71/57/951457157.db2.gz BUMHARXAWBXLNO-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575051956 951457161 /nfs/dbraw/zinc/45/71/61/951457161.db2.gz BUMHARXAWBXLNO-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1N)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575051962 951457311 /nfs/dbraw/zinc/45/73/11/951457311.db2.gz CCCMIRGPEMVTCV-RXMQYKEDSA-N -1 1 382.841 0.523 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575052427 951463482 /nfs/dbraw/zinc/46/34/82/951463482.db2.gz JDYFZZNMXKVPRD-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575052427 951463494 /nfs/dbraw/zinc/46/34/94/951463494.db2.gz JDYFZZNMXKVPRD-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052447 951464299 /nfs/dbraw/zinc/46/42/99/951464299.db2.gz JOKHOEHDUPQZOM-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052447 951464304 /nfs/dbraw/zinc/46/43/04/951464304.db2.gz JOKHOEHDUPQZOM-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575052500 951466670 /nfs/dbraw/zinc/46/66/70/951466670.db2.gz KILCWECBDVRCDL-NSHDSACASA-N -1 1 382.432 0.518 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575052781 951471715 /nfs/dbraw/zinc/47/17/15/951471715.db2.gz ODZCBTBPFBYGOM-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575052781 951471723 /nfs/dbraw/zinc/47/17/23/951471723.db2.gz ODZCBTBPFBYGOM-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052902 951473846 /nfs/dbraw/zinc/47/38/46/951473846.db2.gz QBGYCUNKLSOSEZ-MRVPVSSYSA-N -1 1 378.347 0.148 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575053625 951478057 /nfs/dbraw/zinc/47/80/57/951478057.db2.gz SKMLQVRQOLUPKS-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575053625 951478060 /nfs/dbraw/zinc/47/80/60/951478060.db2.gz SKMLQVRQOLUPKS-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575053711 951481081 /nfs/dbraw/zinc/48/10/81/951481081.db2.gz UVWXCBMDYXEMKS-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575053711 951481087 /nfs/dbraw/zinc/48/10/87/951481087.db2.gz UVWXCBMDYXEMKS-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575053775 951484897 /nfs/dbraw/zinc/48/48/97/951484897.db2.gz DVJPGMCKAJWMRQ-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575054611 951493972 /nfs/dbraw/zinc/49/39/72/951493972.db2.gz YZWIFJPSRMSORP-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2ccccc12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575055618 951509383 /nfs/dbraw/zinc/50/93/83/951509383.db2.gz YHYIXGSTHPYMNN-LLVKDONJSA-N -1 1 378.400 0.204 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575057787 951529892 /nfs/dbraw/zinc/52/98/92/951529892.db2.gz QKJCXUHDOJPVFZ-SNVBAGLBSA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575062799 951571898 /nfs/dbraw/zinc/57/18/98/951571898.db2.gz YQNSTIAPLLDAAJ-ZETCQYMHSA-N -1 1 379.837 0.667 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575064600 951573642 /nfs/dbraw/zinc/57/36/42/951573642.db2.gz AOOSXVSKPBPEEN-JTQLQIEISA-N -1 1 384.400 0.577 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575064600 951573649 /nfs/dbraw/zinc/57/36/49/951573649.db2.gz AOOSXVSKPBPEEN-JTQLQIEISA-N -1 1 384.400 0.577 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575064851 951578614 /nfs/dbraw/zinc/57/86/14/951578614.db2.gz DULAEUWGOYRJJE-SECBINFHSA-N -1 1 385.388 0.195 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575064851 951578622 /nfs/dbraw/zinc/57/86/22/951578622.db2.gz DULAEUWGOYRJJE-SECBINFHSA-N -1 1 385.388 0.195 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575065491 951587371 /nfs/dbraw/zinc/58/73/71/951587371.db2.gz HRFVNUDRSUHZDU-JTQLQIEISA-N -1 1 384.400 0.800 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575065491 951587386 /nfs/dbraw/zinc/58/73/86/951587386.db2.gz HRFVNUDRSUHZDU-JTQLQIEISA-N -1 1 384.400 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575067335 951609284 /nfs/dbraw/zinc/60/92/84/951609284.db2.gz RJLBYDYLFUPGIQ-SECBINFHSA-N -1 1 385.388 0.195 20 0 GCADMM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575067335 951609286 /nfs/dbraw/zinc/60/92/86/951609286.db2.gz RJLBYDYLFUPGIQ-SECBINFHSA-N -1 1 385.388 0.195 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001575067659 951618512 /nfs/dbraw/zinc/61/85/12/951618512.db2.gz WWAURPCAOOYLDK-ZJUUUORDSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001575067659 951618521 /nfs/dbraw/zinc/61/85/21/951618521.db2.gz WWAURPCAOOYLDK-ZJUUUORDSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575067723 951620456 /nfs/dbraw/zinc/62/04/56/951620456.db2.gz OVTLQQLYXSBFJU-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575067723 951620458 /nfs/dbraw/zinc/62/04/58/951620458.db2.gz OVTLQQLYXSBFJU-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575067748 951620959 /nfs/dbraw/zinc/62/09/59/951620959.db2.gz XOAMOLAPNXYYMZ-MWLCHTKSSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575067748 951620964 /nfs/dbraw/zinc/62/09/64/951620964.db2.gz XOAMOLAPNXYYMZ-MWLCHTKSSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067967 951627795 /nfs/dbraw/zinc/62/77/95/951627795.db2.gz TWLKKVQOGMBHAE-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067967 951627803 /nfs/dbraw/zinc/62/78/03/951627803.db2.gz TWLKKVQOGMBHAE-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575069917 951647329 /nfs/dbraw/zinc/64/73/29/951647329.db2.gz NOAALZAMVXRTNC-MRVPVSSYSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575069917 951647335 /nfs/dbraw/zinc/64/73/35/951647335.db2.gz NOAALZAMVXRTNC-MRVPVSSYSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575069921 951648473 /nfs/dbraw/zinc/64/84/73/951648473.db2.gz NQPNYNQYUPOELC-MRVPVSSYSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575069921 951648480 /nfs/dbraw/zinc/64/84/80/951648480.db2.gz NQPNYNQYUPOELC-MRVPVSSYSA-N -1 1 386.445 0.864 20 0 GCADMM O=C([O-])CN1CCC[C@@H](C(=O)N2CCc3nc[nH]c3C23CCOCC3)C1=O ZINC001595082609 951699967 /nfs/dbraw/zinc/69/99/67/951699967.db2.gz HBBRFZQJSIKNAK-GFCCVEGCSA-N -1 1 376.413 0.123 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)C1=O ZINC001595090814 951771799 /nfs/dbraw/zinc/77/17/99/951771799.db2.gz KGKLPNYVXOVWKT-ZFWWWQNUSA-N -1 1 386.412 0.659 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575128885 952074096 /nfs/dbraw/zinc/07/40/96/952074096.db2.gz NZWPRKNMCLJVBV-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575128885 952074103 /nfs/dbraw/zinc/07/41/03/952074103.db2.gz NZWPRKNMCLJVBV-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM O=C([O-])Cn1cc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)nn1 ZINC001595141720 952084575 /nfs/dbraw/zinc/08/45/75/952084575.db2.gz DKRXHZMSZGCVTI-IAGOWNOFSA-N -1 1 385.424 0.478 20 0 GCADMM O=C([O-])Cn1cc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)nn1 ZINC001595141723 952084616 /nfs/dbraw/zinc/08/46/16/952084616.db2.gz DKRXHZMSZGCVTI-SJORKVTESA-N -1 1 385.424 0.478 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCOC1CCOCC1 ZINC001575132089 952090708 /nfs/dbraw/zinc/09/07/08/952090708.db2.gz CAMJCXODVDVRIW-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCOC1CCOCC1 ZINC001575132089 952090711 /nfs/dbraw/zinc/09/07/11/952090711.db2.gz CAMJCXODVDVRIW-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c(F)cncc1F ZINC001575132487 952094427 /nfs/dbraw/zinc/09/44/27/952094427.db2.gz FLFPRLUIDYZNNB-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c(F)cncc1F ZINC001575132487 952094440 /nfs/dbraw/zinc/09/44/40/952094440.db2.gz FLFPRLUIDYZNNB-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CN1CCCCCC1=O ZINC001575133539 952104151 /nfs/dbraw/zinc/10/41/51/952104151.db2.gz KSNGENRUENRRCV-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CN1CCCCCC1=O ZINC001575133539 952104155 /nfs/dbraw/zinc/10/41/55/952104155.db2.gz KSNGENRUENRRCV-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575134700 952112020 /nfs/dbraw/zinc/11/20/20/952112020.db2.gz OKELQMMRBNQGNH-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575134700 952112028 /nfs/dbraw/zinc/11/20/28/952112028.db2.gz OKELQMMRBNQGNH-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575134748 952114569 /nfs/dbraw/zinc/11/45/69/952114569.db2.gz OXDMFEQUVFYBPG-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575134748 952114573 /nfs/dbraw/zinc/11/45/73/952114573.db2.gz OXDMFEQUVFYBPG-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575135297 952117695 /nfs/dbraw/zinc/11/76/95/952117695.db2.gz QHADBPGOFNPYBZ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575135297 952117702 /nfs/dbraw/zinc/11/77/02/952117702.db2.gz QHADBPGOFNPYBZ-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575136350 952124055 /nfs/dbraw/zinc/12/40/55/952124055.db2.gz OQLZPUOPGIALAF-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575136350 952124060 /nfs/dbraw/zinc/12/40/60/952124060.db2.gz OQLZPUOPGIALAF-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM O=C([O-])Cn1cc(NC(=O)c2cnc(I)c(O)c2)cn1 ZINC001595148051 952124432 /nfs/dbraw/zinc/12/44/32/952124432.db2.gz QGRKWMXBEKRCDH-UHFFFAOYSA-N -1 1 388.121 0.925 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575136416 952125484 /nfs/dbraw/zinc/12/54/84/952125484.db2.gz VFXGNVUQWQSXLU-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575136416 952125490 /nfs/dbraw/zinc/12/54/90/952125490.db2.gz VFXGNVUQWQSXLU-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575136770 952128117 /nfs/dbraw/zinc/12/81/17/952128117.db2.gz WONDHWDIZSHGLP-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575136770 952128121 /nfs/dbraw/zinc/12/81/21/952128121.db2.gz WONDHWDIZSHGLP-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575136961 952130842 /nfs/dbraw/zinc/13/08/42/952130842.db2.gz YKNHOLZJEVNUKX-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575136961 952130846 /nfs/dbraw/zinc/13/08/46/952130846.db2.gz YKNHOLZJEVNUKX-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccnc1N(C)C ZINC001575137319 952137588 /nfs/dbraw/zinc/13/75/88/952137588.db2.gz WOTUNNWLERZGBF-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccnc1N(C)C ZINC001575137319 952137592 /nfs/dbraw/zinc/13/75/92/952137592.db2.gz WOTUNNWLERZGBF-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC001602892956 971806111 /nfs/dbraw/zinc/80/61/11/971806111.db2.gz MCMAVSOZYRRKFI-SGTLLEGYSA-N -1 1 394.428 0.994 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575139791 952142180 /nfs/dbraw/zinc/14/21/80/952142180.db2.gz CAZGCPBCHMPVLB-STQMWFEESA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575140717 952143860 /nfs/dbraw/zinc/14/38/60/952143860.db2.gz FQAJZTMCLUTSEV-KRWDZBQOSA-N -1 1 382.432 0.131 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575143414 952152915 /nfs/dbraw/zinc/15/29/15/952152915.db2.gz PKAQJWPIQJMLOW-FPMFFAJLSA-N -1 1 379.428 0.536 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575143424 952153376 /nfs/dbraw/zinc/15/33/76/952153376.db2.gz PKAQJWPIQJMLOW-KWCYVHTRSA-N -1 1 379.428 0.536 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575143533 952154559 /nfs/dbraw/zinc/15/45/59/952154559.db2.gz QDOGWYPXJHPAQA-LLVKDONJSA-N -1 1 386.391 0.556 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575144055 952161383 /nfs/dbraw/zinc/16/13/83/952161383.db2.gz FVHMFGUCPZJMMF-QMMMGPOBSA-N -1 1 378.347 0.243 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575144239 952164600 /nfs/dbraw/zinc/16/46/00/952164600.db2.gz HCWWUHONKTYCEP-NSHDSACASA-N -1 1 382.432 0.112 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575144425 952166459 /nfs/dbraw/zinc/16/64/59/952166459.db2.gz IJRGKTFQFJHNBS-LLVKDONJSA-N -1 1 382.432 0.184 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1scnc1Cl ZINC001575144462 952168196 /nfs/dbraw/zinc/16/81/96/952168196.db2.gz IQTAAXUDTAJOBP-SSDOTTSWSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575144670 952169288 /nfs/dbraw/zinc/16/92/88/952169288.db2.gz KFOPARNHJNPKBC-SECBINFHSA-N -1 1 389.370 0.984 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575144967 952174931 /nfs/dbraw/zinc/17/49/31/952174931.db2.gz ZSQZSNDTQDKWOX-INIZCTEOSA-N -1 1 385.457 0.475 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575145200 952180016 /nfs/dbraw/zinc/18/00/16/952180016.db2.gz SFTZSHCOPMDCLE-QMMMGPOBSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575145199 952180266 /nfs/dbraw/zinc/18/02/66/952180266.db2.gz SFTZSHCOPMDCLE-MRVPVSSYSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575145241 952180352 /nfs/dbraw/zinc/18/03/52/952180352.db2.gz UEEVZMCNDAQUBG-JTQLQIEISA-N -1 1 385.432 0.937 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575145337 952182679 /nfs/dbraw/zinc/18/26/79/952182679.db2.gz VWDAGFKSECLTBO-SSDOTTSWSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575145369 952183016 /nfs/dbraw/zinc/18/30/16/952183016.db2.gz WOUUNZGAGAMQLR-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575153397 952208293 /nfs/dbraw/zinc/20/82/93/952208293.db2.gz GVXWGQYHNBEAJK-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575153704 952211508 /nfs/dbraw/zinc/21/15/08/952211508.db2.gz JTAGTICBOPREPC-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575153704 952211512 /nfs/dbraw/zinc/21/15/12/952211512.db2.gz JTAGTICBOPREPC-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575153892 952213845 /nfs/dbraw/zinc/21/38/45/952213845.db2.gz LSQYGUVNECVBFS-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575153892 952213847 /nfs/dbraw/zinc/21/38/47/952213847.db2.gz LSQYGUVNECVBFS-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575154111 952215987 /nfs/dbraw/zinc/21/59/87/952215987.db2.gz NXEFPYNCEYKKIY-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575154111 952215992 /nfs/dbraw/zinc/21/59/92/952215992.db2.gz NXEFPYNCEYKKIY-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575154164 952216550 /nfs/dbraw/zinc/21/65/50/952216550.db2.gz PKZNTYMRBFDMCP-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575154164 952216555 /nfs/dbraw/zinc/21/65/55/952216555.db2.gz PKZNTYMRBFDMCP-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575154171 952216687 /nfs/dbraw/zinc/21/66/87/952216687.db2.gz PNJIDGYBONOFFE-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575154242 952218550 /nfs/dbraw/zinc/21/85/50/952218550.db2.gz QNKCQLJZUFXTCW-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575154242 952218556 /nfs/dbraw/zinc/21/85/56/952218556.db2.gz QNKCQLJZUFXTCW-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575154289 952219274 /nfs/dbraw/zinc/21/92/74/952219274.db2.gz APOFYIMKWPKLIY-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575154289 952219276 /nfs/dbraw/zinc/21/92/76/952219276.db2.gz APOFYIMKWPKLIY-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1cnn2ccccc12 ZINC001575154355 952222699 /nfs/dbraw/zinc/22/26/99/952222699.db2.gz RARQMYNBQDLBIK-GFCCVEGCSA-N -1 1 392.427 0.806 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1cnn2ccccc12 ZINC001575154355 952222706 /nfs/dbraw/zinc/22/27/06/952222706.db2.gz RARQMYNBQDLBIK-GFCCVEGCSA-N -1 1 392.427 0.806 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575154724 952229046 /nfs/dbraw/zinc/22/90/46/952229046.db2.gz VFAVYJQZWYPLHY-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575154937 952232827 /nfs/dbraw/zinc/23/28/27/952232827.db2.gz ISCXNPDXTBPZNR-QGZVFWFLSA-N -1 1 382.432 0.709 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575154937 952232833 /nfs/dbraw/zinc/23/28/33/952232833.db2.gz ISCXNPDXTBPZNR-QGZVFWFLSA-N -1 1 382.432 0.709 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575155644 952243711 /nfs/dbraw/zinc/24/37/11/952243711.db2.gz OUQYVDHFGVCGTM-HZPDHXFCSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575155644 952243715 /nfs/dbraw/zinc/24/37/15/952243715.db2.gz OUQYVDHFGVCGTM-HZPDHXFCSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575155936 952244906 /nfs/dbraw/zinc/24/49/06/952244906.db2.gz AYHSOJQKOKTKIP-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575155936 952244913 /nfs/dbraw/zinc/24/49/13/952244913.db2.gz AYHSOJQKOKTKIP-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575155854 952245691 /nfs/dbraw/zinc/24/56/91/952245691.db2.gz PLBTXAATICGBNC-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575155854 952245700 /nfs/dbraw/zinc/24/57/00/952245700.db2.gz PLBTXAATICGBNC-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575155941 952246797 /nfs/dbraw/zinc/24/67/97/952246797.db2.gz AYHSOJQKOKTKIP-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575155941 952246804 /nfs/dbraw/zinc/24/68/04/952246804.db2.gz AYHSOJQKOKTKIP-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575156197 952248540 /nfs/dbraw/zinc/24/85/40/952248540.db2.gz DLCYNTOGTMQOBU-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575156197 952248546 /nfs/dbraw/zinc/24/85/46/952248546.db2.gz DLCYNTOGTMQOBU-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575156383 952252095 /nfs/dbraw/zinc/25/20/95/952252095.db2.gz FEWBOCCZAMNEFY-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575156383 952252101 /nfs/dbraw/zinc/25/21/01/952252101.db2.gz FEWBOCCZAMNEFY-IAQYHMDHSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575156838 952258367 /nfs/dbraw/zinc/25/83/67/952258367.db2.gz WGVVEKZAAOCPLR-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575156838 952258375 /nfs/dbraw/zinc/25/83/75/952258375.db2.gz WGVVEKZAAOCPLR-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc2nccn21 ZINC001575156932 952260270 /nfs/dbraw/zinc/26/02/70/952260270.db2.gz ISSHZIYLJQIFQE-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2nccn21 ZINC001575156932 952260277 /nfs/dbraw/zinc/26/02/77/952260277.db2.gz ISSHZIYLJQIFQE-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575157254 952261041 /nfs/dbraw/zinc/26/10/41/952261041.db2.gz YMKWAWZTJCLSJJ-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575157254 952261046 /nfs/dbraw/zinc/26/10/46/952261046.db2.gz YMKWAWZTJCLSJJ-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575157197 952261326 /nfs/dbraw/zinc/26/13/26/952261326.db2.gz XWCSFDANADTRSK-QDTBLXIISA-N -1 1 384.444 0.921 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575157197 952261333 /nfs/dbraw/zinc/26/13/33/952261333.db2.gz XWCSFDANADTRSK-QDTBLXIISA-N -1 1 384.444 0.921 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575157214 952262222 /nfs/dbraw/zinc/26/22/22/952262222.db2.gz YBHUSRYFXAHKLL-QGZVFWFLSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575157214 952262231 /nfs/dbraw/zinc/26/22/31/952262231.db2.gz YBHUSRYFXAHKLL-QGZVFWFLSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575157411 952265455 /nfs/dbraw/zinc/26/54/55/952265455.db2.gz MRXDAFJTCHAIQA-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575157411 952265457 /nfs/dbraw/zinc/26/54/57/952265457.db2.gz MRXDAFJTCHAIQA-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575157597 952267164 /nfs/dbraw/zinc/26/71/64/952267164.db2.gz NJPAHTOCYPYGHL-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575157597 952267167 /nfs/dbraw/zinc/26/71/67/952267167.db2.gz NJPAHTOCYPYGHL-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM O=C([O-])[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)C[C@H]1C1CC1 ZINC001595186216 952267361 /nfs/dbraw/zinc/26/73/61/952267361.db2.gz UNYWUEOIOSOXOD-WDEREUQCSA-N -1 1 388.392 0.812 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575157940 952267933 /nfs/dbraw/zinc/26/79/33/952267933.db2.gz QKIIQQSKQATFPX-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575157940 952267937 /nfs/dbraw/zinc/26/79/37/952267937.db2.gz QKIIQQSKQATFPX-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575159290 952275927 /nfs/dbraw/zinc/27/59/27/952275927.db2.gz ZROAILDJRZFDQR-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575159290 952275937 /nfs/dbraw/zinc/27/59/37/952275937.db2.gz ZROAILDJRZFDQR-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575159272 952276794 /nfs/dbraw/zinc/27/67/94/952276794.db2.gz ZBNPPCGOGIKPAZ-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575159272 952276798 /nfs/dbraw/zinc/27/67/98/952276798.db2.gz ZBNPPCGOGIKPAZ-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cn(C)nn1 ZINC001575164736 952298090 /nfs/dbraw/zinc/29/80/90/952298090.db2.gz HAZRQDJOOSQHFQ-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)CCCC(N)=O ZINC001575165376 952309015 /nfs/dbraw/zinc/30/90/15/952309015.db2.gz OBWYFKLYMFJYPW-ZETCQYMHSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCOC1CCOCC1 ZINC001575174044 952363146 /nfs/dbraw/zinc/36/31/46/952363146.db2.gz FYHZDPGKHYRHRU-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCOC1CCOCC1 ZINC001575174044 952363151 /nfs/dbraw/zinc/36/31/51/952363151.db2.gz FYHZDPGKHYRHRU-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575174465 952374086 /nfs/dbraw/zinc/37/40/86/952374086.db2.gz ORYOYFDGWJATGD-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575174465 952374092 /nfs/dbraw/zinc/37/40/92/952374092.db2.gz ORYOYFDGWJATGD-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575175318 952384884 /nfs/dbraw/zinc/38/48/84/952384884.db2.gz WWNQTBFRGJYILF-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575175318 952384890 /nfs/dbraw/zinc/38/48/90/952384890.db2.gz WWNQTBFRGJYILF-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575175757 952389691 /nfs/dbraw/zinc/38/96/91/952389691.db2.gz YJCQFMAZAGHCBF-SDFXEEBMSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575175757 952389699 /nfs/dbraw/zinc/38/96/99/952389699.db2.gz YJCQFMAZAGHCBF-SDFXEEBMSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575176323 952391761 /nfs/dbraw/zinc/39/17/61/952391761.db2.gz CUGZYJFPTWQDCA-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575176323 952391770 /nfs/dbraw/zinc/39/17/70/952391770.db2.gz CUGZYJFPTWQDCA-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575176312 952392038 /nfs/dbraw/zinc/39/20/38/952392038.db2.gz CQZJRFADQMUZEX-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575176312 952392045 /nfs/dbraw/zinc/39/20/45/952392045.db2.gz CQZJRFADQMUZEX-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575176321 952392974 /nfs/dbraw/zinc/39/29/74/952392974.db2.gz CUGZYJFPTWQDCA-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575176321 952392978 /nfs/dbraw/zinc/39/29/78/952392978.db2.gz CUGZYJFPTWQDCA-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM CC(CO)(CO)CNS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001575176488 952394978 /nfs/dbraw/zinc/39/49/78/952394978.db2.gz HNPNIBYPKJOKMU-UHFFFAOYSA-N -1 1 383.455 0.351 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575177155 952398783 /nfs/dbraw/zinc/39/87/83/952398783.db2.gz GWHKBQDOGVFPKD-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575177155 952398789 /nfs/dbraw/zinc/39/87/89/952398789.db2.gz GWHKBQDOGVFPKD-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575177207 952399016 /nfs/dbraw/zinc/39/90/16/952399016.db2.gz HEBYHZKJLGRABH-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575177207 952399021 /nfs/dbraw/zinc/39/90/21/952399021.db2.gz HEBYHZKJLGRABH-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575177203 952400047 /nfs/dbraw/zinc/40/00/47/952400047.db2.gz HEBYHZKJLGRABH-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575177203 952400051 /nfs/dbraw/zinc/40/00/51/952400051.db2.gz HEBYHZKJLGRABH-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1noc2c1COCC2 ZINC001575177665 952402618 /nfs/dbraw/zinc/40/26/18/952402618.db2.gz IRICQGKXIAWMIR-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575177665 952402620 /nfs/dbraw/zinc/40/26/20/952402620.db2.gz IRICQGKXIAWMIR-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1N(C)C ZINC001575178101 952404664 /nfs/dbraw/zinc/40/46/64/952404664.db2.gz KGHPWLGECBARMG-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1N(C)C ZINC001575178101 952404669 /nfs/dbraw/zinc/40/46/69/952404669.db2.gz KGHPWLGECBARMG-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1COCCO1 ZINC001575178736 952407781 /nfs/dbraw/zinc/40/77/81/952407781.db2.gz MAJNYZKLASONMT-JGVFFNPUSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1COCCO1 ZINC001575178736 952407785 /nfs/dbraw/zinc/40/77/85/952407785.db2.gz MAJNYZKLASONMT-JGVFFNPUSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575178858 952409044 /nfs/dbraw/zinc/40/90/44/952409044.db2.gz OIKPWEIKKJAKLL-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575178858 952409050 /nfs/dbraw/zinc/40/90/50/952409050.db2.gz OIKPWEIKKJAKLL-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575180237 952416862 /nfs/dbraw/zinc/41/68/62/952416862.db2.gz UFVPWCSHBUIWLE-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575180237 952416865 /nfs/dbraw/zinc/41/68/65/952416865.db2.gz UFVPWCSHBUIWLE-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575180540 952417649 /nfs/dbraw/zinc/41/76/49/952417649.db2.gz VTCSJOACUDGTMR-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575180540 952417653 /nfs/dbraw/zinc/41/76/53/952417653.db2.gz VTCSJOACUDGTMR-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575180495 952417677 /nfs/dbraw/zinc/41/76/77/952417677.db2.gz UVHNNEXOCPZNEB-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575180495 952417686 /nfs/dbraw/zinc/41/76/86/952417686.db2.gz UVHNNEXOCPZNEB-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575180496 952417967 /nfs/dbraw/zinc/41/79/67/952417967.db2.gz UVHNNEXOCPZNEB-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575180496 952417970 /nfs/dbraw/zinc/41/79/70/952417970.db2.gz UVHNNEXOCPZNEB-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575180521 952418038 /nfs/dbraw/zinc/41/80/38/952418038.db2.gz VIYNLFJPBPRHCA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575180521 952418040 /nfs/dbraw/zinc/41/80/40/952418040.db2.gz VIYNLFJPBPRHCA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnnn1C ZINC001575180536 952418402 /nfs/dbraw/zinc/41/84/02/952418402.db2.gz VPPXYZLJCWEWJB-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnnn1C ZINC001575180536 952418407 /nfs/dbraw/zinc/41/84/07/952418407.db2.gz VPPXYZLJCWEWJB-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](Cc1ccccc1F)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575187249 952438918 /nfs/dbraw/zinc/43/89/18/952438918.db2.gz BHUVODOHVCBPOF-GFCCVEGCSA-N -1 1 384.419 0.967 20 0 GCADMM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575188055 952446019 /nfs/dbraw/zinc/44/60/19/952446019.db2.gz GWVKOYYNQSXOFR-JTQLQIEISA-N -1 1 387.375 0.263 20 0 GCADMM CC[C@H](CC(F)(F)F)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571114505 952455756 /nfs/dbraw/zinc/45/57/56/952455756.db2.gz JKYDXOSHDWOVDN-SSDOTTSWSA-N -1 1 375.311 0.366 20 0 GCADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575189904 952459876 /nfs/dbraw/zinc/45/98/76/952459876.db2.gz QKBMXBRAGYOCTN-LBPRGKRZSA-N -1 1 384.419 0.967 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575196669 952476408 /nfs/dbraw/zinc/47/64/08/952476408.db2.gz IHNAJRUJMLMOLK-STQMWFEESA-N -1 1 382.428 0.953 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575196693 952476528 /nfs/dbraw/zinc/47/65/28/952476528.db2.gz IXCQZVOIXQXWRD-YRGRVCCFSA-N -1 1 382.428 0.809 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575196882 952478065 /nfs/dbraw/zinc/47/80/65/952478065.db2.gz KRACOFKEYSCROV-AGIUHOORSA-N -1 1 380.412 0.918 20 0 GCADMM Cc1nonc1C(=O)NC[C@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571116859 952478341 /nfs/dbraw/zinc/47/83/41/952478341.db2.gz FCYNPLZVUJMCRO-SECBINFHSA-N -1 1 375.418 0.722 20 0 GCADMM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC001571117813 952484437 /nfs/dbraw/zinc/48/44/37/952484437.db2.gz QVVDTNNMGOTXHC-PGDKLEMZSA-N -1 1 375.414 0.577 20 0 GCADMM O=C(c1ccc(C(F)F)o1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571119400 952491248 /nfs/dbraw/zinc/49/12/48/952491248.db2.gz AJPRRLRFIZBZPT-QMMMGPOBSA-N -1 1 376.327 0.936 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[C@H]1CC1(F)F ZINC001571119501 952492001 /nfs/dbraw/zinc/49/20/01/952492001.db2.gz BSFUFOLLKAMYIK-HUAZRZQGSA-N -1 1 376.371 0.928 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[C@H]1CC1(F)F ZINC001571119501 952492003 /nfs/dbraw/zinc/49/20/03/952492003.db2.gz BSFUFOLLKAMYIK-HUAZRZQGSA-N -1 1 376.371 0.928 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C)c(-c3nn[nH]n3)c2)o1 ZINC001571119492 952492949 /nfs/dbraw/zinc/49/29/49/952492949.db2.gz CEQYPFYPMHVLCE-UHFFFAOYSA-N -1 1 376.398 0.606 20 0 GCADMM CC(C)(F)C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571119770 952494362 /nfs/dbraw/zinc/49/43/62/952494362.db2.gz FMZOPICWFZZKRV-INIZCTEOSA-N -1 1 376.396 0.213 20 0 GCADMM CC(C)(F)C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571119770 952494366 /nfs/dbraw/zinc/49/43/66/952494366.db2.gz FMZOPICWFZZKRV-INIZCTEOSA-N -1 1 376.396 0.213 20 0 GCADMM O=C(Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)NCCc1ccc(Cl)cc1 ZINC001571120708 952506889 /nfs/dbraw/zinc/50/68/89/952506889.db2.gz OOEAWXAQJKRDMS-UHFFFAOYSA-N -1 1 375.776 0.141 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cc(Cl)no3)C2)n1 ZINC001571120752 952509262 /nfs/dbraw/zinc/50/92/62/952509262.db2.gz PHPNLOGTDQOIAW-MRVPVSSYSA-N -1 1 375.780 0.933 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cc(Cl)no3)C2)n1 ZINC001571120752 952509270 /nfs/dbraw/zinc/50/92/70/952509270.db2.gz PHPNLOGTDQOIAW-MRVPVSSYSA-N -1 1 375.780 0.933 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575202018 952509957 /nfs/dbraw/zinc/50/99/57/952509957.db2.gz MBEAEFVNXFYZLQ-CNXAATOLSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575202018 952509961 /nfs/dbraw/zinc/50/99/61/952509961.db2.gz MBEAEFVNXFYZLQ-CNXAATOLSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575202009 952509996 /nfs/dbraw/zinc/50/99/96/952509996.db2.gz LQAYSGBDDYAILR-PBOSXPJTSA-N -1 1 380.412 0.679 20 0 GCADMM O=C(c1cc(Cl)no1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571120934 952511574 /nfs/dbraw/zinc/51/15/74/952511574.db2.gz SECOENJXXFBTFP-UHFFFAOYSA-N -1 1 375.780 0.651 20 0 GCADMM O=C(c1cc(Cl)no1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571120934 952511579 /nfs/dbraw/zinc/51/15/79/952511579.db2.gz SECOENJXXFBTFP-UHFFFAOYSA-N -1 1 375.780 0.651 20 0 GCADMM O=C(CC1CC(F)(F)C1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571120994 952512477 /nfs/dbraw/zinc/51/24/77/952512477.db2.gz UEAOTFOKWVOHNF-QWRGUYRKSA-N -1 1 376.371 0.882 20 0 GCADMM Cc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571121110 952514488 /nfs/dbraw/zinc/51/44/88/952514488.db2.gz WLLKLDCKVSFIHH-UOIKSKOESA-N -1 1 376.424 0.759 20 0 GCADMM Cc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571121110 952514491 /nfs/dbraw/zinc/51/44/91/952514491.db2.gz WLLKLDCKVSFIHH-UOIKSKOESA-N -1 1 376.424 0.759 20 0 GCADMM Cc1onc(CC(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1-c1nnn[n-]1 ZINC001571121104 952515003 /nfs/dbraw/zinc/51/50/03/952515003.db2.gz WLCVOSGUVHJDCW-IUODEOHRSA-N -1 1 376.417 0.532 20 0 GCADMM Cc1onc(CC(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1-c1nn[n-]n1 ZINC001571121104 952515008 /nfs/dbraw/zinc/51/50/08/952515008.db2.gz WLCVOSGUVHJDCW-IUODEOHRSA-N -1 1 376.417 0.532 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571121283 952518310 /nfs/dbraw/zinc/51/83/10/952518310.db2.gz ZTOCRYQLGQPMAM-VXNVDRBHSA-N -1 1 375.780 0.871 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571121283 952518313 /nfs/dbraw/zinc/51/83/13/952518313.db2.gz ZTOCRYQLGQPMAM-VXNVDRBHSA-N -1 1 375.780 0.871 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C3(F)CCOCC3)C2)n1 ZINC001571121375 952520285 /nfs/dbraw/zinc/52/02/85/952520285.db2.gz ZVVDZGYSMQGBBL-LLVKDONJSA-N -1 1 376.396 0.497 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C3(F)CCOCC3)C2)n1 ZINC001571121375 952520287 /nfs/dbraw/zinc/52/02/87/952520287.db2.gz ZVVDZGYSMQGBBL-LLVKDONJSA-N -1 1 376.396 0.497 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2C=CC=CC=C2)n1 ZINC001571121373 952520513 /nfs/dbraw/zinc/52/05/13/952520513.db2.gz ZUFGXKIUJQETCQ-FOLVSLTJSA-N -1 1 376.424 0.814 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2C=CC=CC=C2)n1 ZINC001571121373 952520519 /nfs/dbraw/zinc/52/05/19/952520519.db2.gz ZUFGXKIUJQETCQ-FOLVSLTJSA-N -1 1 376.424 0.814 20 0 GCADMM COC(=O)c1cnn(CC(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001571122833 952526772 /nfs/dbraw/zinc/52/67/72/952526772.db2.gz MFEJKTGEMRTTAU-UHFFFAOYSA-N -1 1 377.311 0.444 20 0 GCADMM COC(=O)c1cnn(CC(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001571122833 952526774 /nfs/dbraw/zinc/52/67/74/952526774.db2.gz MFEJKTGEMRTTAU-UHFFFAOYSA-N -1 1 377.311 0.444 20 0 GCADMM Cc1nsc(NC[C@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC001571123110 952528395 /nfs/dbraw/zinc/52/83/95/952528395.db2.gz OZUOTJAUDYUXRD-BBBLOLIVSA-N -1 1 376.446 0.156 20 0 GCADMM CS[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571123380 952529112 /nfs/dbraw/zinc/52/91/12/952529112.db2.gz QVJNRYKNMNHOIT-WOPDTQHZSA-N -1 1 376.490 0.869 20 0 GCADMM Cn1ncc(Br)c1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571123374 952529496 /nfs/dbraw/zinc/52/94/96/952529496.db2.gz QULAIKCTHZUGOJ-UHFFFAOYSA-N -1 1 377.206 0.617 20 0 GCADMM Cn1ncc(Br)c1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571123374 952529502 /nfs/dbraw/zinc/52/95/02/952529502.db2.gz QULAIKCTHZUGOJ-UHFFFAOYSA-N -1 1 377.206 0.617 20 0 GCADMM C[C@@H](CCNC(=O)[C@@H](C)Cc1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575206389 952529723 /nfs/dbraw/zinc/52/97/23/952529723.db2.gz JFFGGKMNCOJQLK-RYUDHWBXSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@@H](CCNC(=O)[C@@H](C)Cc1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575206389 952529728 /nfs/dbraw/zinc/52/97/28/952529728.db2.gz JFFGGKMNCOJQLK-RYUDHWBXSA-N -1 1 384.448 0.576 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)c1-c1nn[n-]n1 ZINC001571124125 952533890 /nfs/dbraw/zinc/53/38/90/952533890.db2.gz ZIMYDOOOTPBWQV-UWVGGRQHSA-N -1 1 376.446 0.171 20 0 GCADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571124068 952533998 /nfs/dbraw/zinc/53/39/98/952533998.db2.gz YCWADTKYCRWZIJ-BBBLOLIVSA-N -1 1 376.446 0.359 20 0 GCADMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571124288 952536348 /nfs/dbraw/zinc/53/63/48/952536348.db2.gz DOTGVLKNIFUTSS-KRWDZBQOSA-N -1 1 377.408 0.851 20 0 GCADMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571124288 952536354 /nfs/dbraw/zinc/53/63/54/952536354.db2.gz DOTGVLKNIFUTSS-KRWDZBQOSA-N -1 1 377.408 0.851 20 0 GCADMM CCCN(Cc1ccc(F)cc1F)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571124267 952536615 /nfs/dbraw/zinc/53/66/15/952536615.db2.gz DDZHRCQHHRXDGL-UHFFFAOYSA-N -1 1 377.355 0.949 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)ccn1 ZINC001571124629 952541241 /nfs/dbraw/zinc/54/12/41/952541241.db2.gz POQUJQXZYUTCMU-RDBSUJKOSA-N -1 1 377.412 0.900 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)ccn1 ZINC001571124629 952541245 /nfs/dbraw/zinc/54/12/45/952541245.db2.gz POQUJQXZYUTCMU-RDBSUJKOSA-N -1 1 377.412 0.900 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C)c1-c1nn[n-]n1 ZINC001571124667 952542884 /nfs/dbraw/zinc/54/28/84/952542884.db2.gz QTHQQMKJGPEJBG-APPZFPTMSA-N -1 1 377.409 0.891 20 0 GCADMM COC(=O)[C@H](Cc1cncs1)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001571124637 952543129 /nfs/dbraw/zinc/54/31/29/952543129.db2.gz PZBNDFIRGZVCLM-JTQLQIEISA-N -1 1 377.386 0.063 20 0 GCADMM COC(=O)[C@H](Cc1cncs1)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001571124637 952543132 /nfs/dbraw/zinc/54/31/32/952543132.db2.gz PZBNDFIRGZVCLM-JTQLQIEISA-N -1 1 377.386 0.063 20 0 GCADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)n1 ZINC001571124818 952545690 /nfs/dbraw/zinc/54/56/90/952545690.db2.gz VMIBEKSYVRGGAD-VXNVDRBHSA-N -1 1 377.352 0.377 20 0 GCADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)n1 ZINC001571124818 952545692 /nfs/dbraw/zinc/54/56/92/952545692.db2.gz VMIBEKSYVRGGAD-VXNVDRBHSA-N -1 1 377.352 0.377 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ocnc1C(F)F ZINC001571124993 952546413 /nfs/dbraw/zinc/54/64/13/952546413.db2.gz XQPWWWVBVYAHFC-ZETCQYMHSA-N -1 1 377.315 0.591 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)cc1C ZINC001571127126 952550011 /nfs/dbraw/zinc/55/00/11/952550011.db2.gz GSWGENNBMXMHFC-ATCWAGBWSA-N -1 1 377.412 0.533 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)cc1C ZINC001571127126 952550014 /nfs/dbraw/zinc/55/00/14/952550014.db2.gz GSWGENNBMXMHFC-ATCWAGBWSA-N -1 1 377.412 0.533 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001571127077 952550085 /nfs/dbraw/zinc/55/00/85/952550085.db2.gz FJEQBYFWMXBQOY-AGUYFDCRSA-N -1 1 377.412 0.982 20 0 GCADMM CS(=O)(=O)[C@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571127173 952551019 /nfs/dbraw/zinc/55/10/19/952551019.db2.gz ALTUKOCJTMNVDD-YFKPBYRVSA-N -1 1 377.839 0.627 20 0 GCADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571127528 952556718 /nfs/dbraw/zinc/55/67/18/952556718.db2.gz LPPMQPSCRGIPEF-HZSPNIEDSA-N -1 1 377.412 0.868 20 0 GCADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571127528 952556721 /nfs/dbraw/zinc/55/67/21/952556721.db2.gz LPPMQPSCRGIPEF-HZSPNIEDSA-N -1 1 377.412 0.868 20 0 GCADMM C[C@]1(CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCS(=O)(=O)N1 ZINC001571127584 952558269 /nfs/dbraw/zinc/55/82/69/952558269.db2.gz JGMCALMSSLGRKW-SNVBAGLBSA-N -1 1 377.839 0.387 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)nc1C ZINC001571128180 952564864 /nfs/dbraw/zinc/56/48/64/952564864.db2.gz QBVWIMMWRQGRRX-ATCWAGBWSA-N -1 1 377.412 0.533 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)nc1C ZINC001571128180 952564866 /nfs/dbraw/zinc/56/48/66/952564866.db2.gz QBVWIMMWRQGRRX-ATCWAGBWSA-N -1 1 377.412 0.533 20 0 GCADMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1(C)C ZINC001571128321 952566191 /nfs/dbraw/zinc/56/61/91/952566191.db2.gz REDTXFODROEFME-WDEREUQCSA-N -1 1 377.453 0.740 20 0 GCADMM O=C(c1cccnc1)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571128886 952572022 /nfs/dbraw/zinc/57/20/22/952572022.db2.gz XNCTWRLUQBWBIG-KGLIPLIRSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1cccnc1)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571128886 952572025 /nfs/dbraw/zinc/57/20/25/952572025.db2.gz XNCTWRLUQBWBIG-KGLIPLIRSA-N -1 1 377.412 0.935 20 0 GCADMM CN(CC1CCN(C(=O)[C@H]2CC2(F)F)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571130116 952578465 /nfs/dbraw/zinc/57/84/65/952578465.db2.gz ONCQDRZQAGRRGW-LLVKDONJSA-N -1 1 378.387 0.987 20 0 GCADMM CN(CC1CCN(C(=O)[C@H]2CC2(F)F)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571130116 952578468 /nfs/dbraw/zinc/57/84/68/952578468.db2.gz ONCQDRZQAGRRGW-LLVKDONJSA-N -1 1 378.387 0.987 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571130728 952581892 /nfs/dbraw/zinc/58/18/92/952581892.db2.gz VRPGDTRVAZXBAV-QWRGUYRKSA-N -1 1 378.387 0.987 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571130728 952581898 /nfs/dbraw/zinc/58/18/98/952581898.db2.gz VRPGDTRVAZXBAV-QWRGUYRKSA-N -1 1 378.387 0.987 20 0 GCADMM O=C([C@@H]1CCCCC1(F)F)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130924 952582290 /nfs/dbraw/zinc/58/22/90/952582290.db2.gz YOWIZCPKPVOLEF-MNOVXSKESA-N -1 1 378.387 0.917 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571130930 952582398 /nfs/dbraw/zinc/58/23/98/952582398.db2.gz YWAVSYXDQWLOGO-DCAQKATOSA-N -1 1 378.387 0.891 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571130930 952582404 /nfs/dbraw/zinc/58/24/04/952582404.db2.gz YWAVSYXDQWLOGO-DCAQKATOSA-N -1 1 378.387 0.891 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571130765 952582780 /nfs/dbraw/zinc/58/27/80/952582780.db2.gz WYWZUFJZPCMDGV-VWYCJHECSA-N -1 1 378.387 0.843 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571130765 952582781 /nfs/dbraw/zinc/58/27/81/952582781.db2.gz WYWZUFJZPCMDGV-VWYCJHECSA-N -1 1 378.387 0.843 20 0 GCADMM O=C(N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1ncccn1 ZINC001571136565 952614945 /nfs/dbraw/zinc/61/49/45/952614945.db2.gz QUJKWZBPWRKMBM-GHMZBOCLSA-N -1 1 378.400 0.600 20 0 GCADMM O=C(N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1ncccn1 ZINC001571136565 952614947 /nfs/dbraw/zinc/61/49/47/952614947.db2.gz QUJKWZBPWRKMBM-GHMZBOCLSA-N -1 1 378.400 0.600 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571136630 952614989 /nfs/dbraw/zinc/61/49/89/952614989.db2.gz TYLTTXDNWHDQPK-LLVKDONJSA-N -1 1 378.400 0.651 20 0 GCADMM O=C(c1ccnc(C2CC2)n1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571136630 952614992 /nfs/dbraw/zinc/61/49/92/952614992.db2.gz TYLTTXDNWHDQPK-LLVKDONJSA-N -1 1 378.400 0.651 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1ccc(=O)[nH]c1 ZINC001571141228 952631908 /nfs/dbraw/zinc/63/19/08/952631908.db2.gz WOEXLRKMOKZMOX-MDZLAQPJSA-N -1 1 379.384 0.297 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ccc(=O)[nH]c1 ZINC001571141228 952631911 /nfs/dbraw/zinc/63/19/11/952631911.db2.gz WOEXLRKMOKZMOX-MDZLAQPJSA-N -1 1 379.384 0.297 20 0 GCADMM Cn1c(Cl)ncc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571142510 952643179 /nfs/dbraw/zinc/64/31/79/952643179.db2.gz SRTRLDVKDBUSCU-UHFFFAOYSA-N -1 1 378.784 0.066 20 0 GCADMM Cn1c(Cl)ncc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571142510 952643181 /nfs/dbraw/zinc/64/31/81/952643181.db2.gz SRTRLDVKDBUSCU-UHFFFAOYSA-N -1 1 378.784 0.066 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cc2c([nH]1)CCC2 ZINC001571146589 952649946 /nfs/dbraw/zinc/64/99/46/952649946.db2.gz JITNYKOWPVXZJF-UMSPYCQHSA-N -1 1 379.428 0.516 20 0 GCADMM Cc1cnccc1CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146852 952653638 /nfs/dbraw/zinc/65/36/38/952653638.db2.gz OAUXWIYWDDSIEJ-AWEZNQCLSA-N -1 1 379.428 0.688 20 0 GCADMM Cc1cnccc1CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146852 952653652 /nfs/dbraw/zinc/65/36/52/952653652.db2.gz OAUXWIYWDDSIEJ-AWEZNQCLSA-N -1 1 379.428 0.688 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001571146916 952654774 /nfs/dbraw/zinc/65/47/74/952654774.db2.gz CVNRTORCRNEERK-GFCCVEGCSA-N -1 1 379.428 0.824 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001571146916 952654777 /nfs/dbraw/zinc/65/47/77/952654777.db2.gz CVNRTORCRNEERK-GFCCVEGCSA-N -1 1 379.428 0.824 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001571147118 952658087 /nfs/dbraw/zinc/65/80/87/952658087.db2.gz GSOLPCCUQOLNOW-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571147118 952658090 /nfs/dbraw/zinc/65/80/90/952658090.db2.gz GSOLPCCUQOLNOW-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cc2c([nH]1)CCC2 ZINC001571147435 952661907 /nfs/dbraw/zinc/66/19/07/952661907.db2.gz YCBVCUULQVEYDU-UHFFFAOYSA-N -1 1 379.428 0.872 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)c3cccnc3)C2)n1 ZINC001571147958 952664456 /nfs/dbraw/zinc/66/44/56/952664456.db2.gz SBGQZULYGQILEW-CYBMUJFWSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)c3cccnc3)C2)n1 ZINC001571147958 952664460 /nfs/dbraw/zinc/66/44/60/952664460.db2.gz SBGQZULYGQILEW-CYBMUJFWSA-N -1 1 379.428 0.965 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571148014 952665318 /nfs/dbraw/zinc/66/53/18/952665318.db2.gz SZQQKLPJEKPKAE-CYBMUJFWSA-N -1 1 379.428 0.731 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571148014 952665319 /nfs/dbraw/zinc/66/53/19/952665319.db2.gz SZQQKLPJEKPKAE-CYBMUJFWSA-N -1 1 379.428 0.731 20 0 GCADMM Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571151152 952673714 /nfs/dbraw/zinc/67/37/14/952673714.db2.gz MMOFVMALMMARQL-GMTAPVOTSA-N -1 1 379.446 0.354 20 0 GCADMM O=C([C@H]1CC1(F)F)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571152251 952682381 /nfs/dbraw/zinc/68/23/81/952682381.db2.gz GEFHVRBYCRVALU-SECBINFHSA-N -1 1 380.359 0.077 20 0 GCADMM O=C([C@H]1CC1(F)F)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571152251 952682383 /nfs/dbraw/zinc/68/23/83/952682383.db2.gz GEFHVRBYCRVALU-SECBINFHSA-N -1 1 380.359 0.077 20 0 GCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCc1ccc(C(N)=O)o1 ZINC001571153297 952685035 /nfs/dbraw/zinc/68/50/35/952685035.db2.gz NPCMJQGLPLOZKT-UHFFFAOYSA-N -1 1 380.361 0.485 20 0 GCADMM CCN(CCS(C)(=O)=O)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571153603 952687740 /nfs/dbraw/zinc/68/77/40/952687740.db2.gz RUYZSZFFKZKUFK-UHFFFAOYSA-N -1 1 379.855 0.875 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@H](F)c1ccccc1 ZINC001571155146 952692591 /nfs/dbraw/zinc/69/25/91/952692591.db2.gz IZWYHESOBRLNFG-KOZAUXTDSA-N -1 1 380.387 0.918 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@H](F)c1ccccc1 ZINC001571155146 952692593 /nfs/dbraw/zinc/69/25/93/952692593.db2.gz IZWYHESOBRLNFG-KOZAUXTDSA-N -1 1 380.387 0.918 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2ccc(F)cc21 ZINC001571155175 952694101 /nfs/dbraw/zinc/69/41/01/952694101.db2.gz JUMCKWCNFGCAMP-OCCSQVGLSA-N -1 1 380.387 0.831 20 0 GCADMM Cc1c(F)cccc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571155280 952694498 /nfs/dbraw/zinc/69/44/98/952694498.db2.gz MRFIOIGCRKJDCW-ATCWAGBWSA-N -1 1 380.387 0.969 20 0 GCADMM Cc1c(F)cccc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571155280 952694501 /nfs/dbraw/zinc/69/45/01/952694501.db2.gz MRFIOIGCRKJDCW-ATCWAGBWSA-N -1 1 380.387 0.969 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2ccc(F)cc21 ZINC001571155255 952695031 /nfs/dbraw/zinc/69/50/31/952695031.db2.gz LXACADBOWHNNAO-SCRDCRAPSA-N -1 1 380.387 0.617 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)c2ccccc2O)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571155557 952699274 /nfs/dbraw/zinc/69/92/74/952699274.db2.gz WMPQQFYEEDMLEL-LBPRGKRZSA-N -1 1 380.412 0.961 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)c2ccccc2O)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571155557 952699279 /nfs/dbraw/zinc/69/92/79/952699279.db2.gz WMPQQFYEEDMLEL-LBPRGKRZSA-N -1 1 380.412 0.961 20 0 GCADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571156007 952701034 /nfs/dbraw/zinc/70/10/34/952701034.db2.gz AQSKPXGZSOANSP-AWEZNQCLSA-N -1 1 379.428 0.688 20 0 GCADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571156007 952701040 /nfs/dbraw/zinc/70/10/40/952701040.db2.gz AQSKPXGZSOANSP-AWEZNQCLSA-N -1 1 379.428 0.688 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)cc(C)n1 ZINC001571156020 952701297 /nfs/dbraw/zinc/70/12/97/952701297.db2.gz AWSMPZWMILRQJL-OCCSQVGLSA-N -1 1 379.428 0.806 20 0 GCADMM Cc1cnccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571156056 952701521 /nfs/dbraw/zinc/70/15/21/952701521.db2.gz BVUGCAJMKTZWNL-OCCSQVGLSA-N -1 1 379.428 0.745 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)cc(C)n1 ZINC001571156779 952704682 /nfs/dbraw/zinc/70/46/82/952704682.db2.gz JKWKNKWWHGEXOE-JSGCOSHPSA-N -1 1 379.428 0.806 20 0 GCADMM Cc1cccnc1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571156853 952705980 /nfs/dbraw/zinc/70/59/80/952705980.db2.gz LJSGAKVBULWXPY-CYBMUJFWSA-N -1 1 379.428 0.889 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccc1C ZINC001571157919 952708480 /nfs/dbraw/zinc/70/84/80/952708480.db2.gz CONZJAYEDYQTLL-ZDUSSCGKSA-N -1 1 380.412 0.982 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)cc1 ZINC001571157935 952709189 /nfs/dbraw/zinc/70/91/89/952709189.db2.gz DAWGJQNYSVAHMM-HIFRSBDPSA-N -1 1 380.412 0.335 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)cc1 ZINC001571157935 952709192 /nfs/dbraw/zinc/70/91/92/952709192.db2.gz DAWGJQNYSVAHMM-HIFRSBDPSA-N -1 1 380.412 0.335 20 0 GCADMM COc1ccc(CC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571158309 952710767 /nfs/dbraw/zinc/71/07/67/952710767.db2.gz GSARESYYGLDOMW-BETUJISGSA-N -1 1 380.412 0.389 20 0 GCADMM COc1cc(C)ccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571158287 952711400 /nfs/dbraw/zinc/71/14/00/952711400.db2.gz GGHOIJYHFXNBNI-GFCCVEGCSA-N -1 1 380.412 0.982 20 0 GCADMM COc1cc(C)ccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571158287 952711404 /nfs/dbraw/zinc/71/14/04/952711404.db2.gz GGHOIJYHFXNBNI-GFCCVEGCSA-N -1 1 380.412 0.982 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571158540 952712075 /nfs/dbraw/zinc/71/20/75/952712075.db2.gz LCSGKXGBOQGMBW-BXUZGUMPSA-N -1 1 380.412 0.660 20 0 GCADMM COc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cc1 ZINC001571158516 952712230 /nfs/dbraw/zinc/71/22/30/952712230.db2.gz KGCMMCRFPXMCFP-FZMZJTMJSA-N -1 1 380.412 0.802 20 0 GCADMM Cc1cnc(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)c(C)c1 ZINC001571158934 952716376 /nfs/dbraw/zinc/71/63/76/952716376.db2.gz USNREFJYXDDCIT-UHFFFAOYSA-N -1 1 379.428 0.807 20 0 GCADMM Cc1cccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571159784 952721905 /nfs/dbraw/zinc/72/19/05/952721905.db2.gz WSPTZZRWOMOSMV-CYBMUJFWSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1cccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571159784 952721908 /nfs/dbraw/zinc/72/19/08/952721908.db2.gz WSPTZZRWOMOSMV-CYBMUJFWSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1 ZINC001571159732 952722391 /nfs/dbraw/zinc/72/23/91/952722391.db2.gz ZOTHRSZOECGWGZ-AWEZNQCLSA-N -1 1 380.412 0.600 20 0 GCADMM Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1 ZINC001571159732 952722395 /nfs/dbraw/zinc/72/23/95/952722395.db2.gz ZOTHRSZOECGWGZ-AWEZNQCLSA-N -1 1 380.412 0.600 20 0 GCADMM Cc1cncc(CC(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571160245 952724236 /nfs/dbraw/zinc/72/42/36/952724236.db2.gz XKPFKPVPKKVUJF-CYBMUJFWSA-N -1 1 379.428 0.863 20 0 GCADMM Cc1cncc(CC(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571160245 952724238 /nfs/dbraw/zinc/72/42/38/952724238.db2.gz XKPFKPVPKKVUJF-CYBMUJFWSA-N -1 1 379.428 0.863 20 0 GCADMM O=C(Cc1ccoc1)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571160785 952728118 /nfs/dbraw/zinc/72/81/18/952728118.db2.gz LZUWURGWWOXTER-KGLIPLIRSA-N -1 1 380.412 0.920 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1C=CC=CC=C1 ZINC001571161004 952730180 /nfs/dbraw/zinc/73/01/80/952730180.db2.gz OMMNFLWNEYRYHD-AWEZNQCLSA-N -1 1 380.412 0.277 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1C=CC=CC=C1 ZINC001571161004 952730183 /nfs/dbraw/zinc/73/01/83/952730183.db2.gz OMMNFLWNEYRYHD-AWEZNQCLSA-N -1 1 380.412 0.277 20 0 GCADMM O=C(Cc1ccco1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571161469 952732664 /nfs/dbraw/zinc/73/26/64/952732664.db2.gz WPRURDCOFJBPCU-AVGNSLFASA-N -1 1 380.412 0.966 20 0 GCADMM O=C(Cc1ccco1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571161469 952732667 /nfs/dbraw/zinc/73/26/67/952732667.db2.gz WPRURDCOFJBPCU-AVGNSLFASA-N -1 1 380.412 0.966 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)[nH]n1 ZINC001571161810 952735515 /nfs/dbraw/zinc/73/55/15/952735515.db2.gz BDQMCLKPIQDAPN-OLZOCXBDSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)[nH]n1 ZINC001571161810 952735518 /nfs/dbraw/zinc/73/55/18/952735518.db2.gz BDQMCLKPIQDAPN-OLZOCXBDSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571161835 952735527 /nfs/dbraw/zinc/73/55/27/952735527.db2.gz BRFASTLXCPDMLQ-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571161835 952735531 /nfs/dbraw/zinc/73/55/31/952735531.db2.gz BRFASTLXCPDMLQ-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ccc(C(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nn1 ZINC001571161826 952735634 /nfs/dbraw/zinc/73/56/34/952735634.db2.gz BJCAWGFAZRPFPY-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ccc(C(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nn1 ZINC001571161826 952735637 /nfs/dbraw/zinc/73/56/37/952735637.db2.gz BJCAWGFAZRPFPY-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)n1 ZINC001571161956 952736085 /nfs/dbraw/zinc/73/60/85/952736085.db2.gz GFMDULNPFRFRGW-NSHDSACASA-N -1 1 380.416 0.434 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)n1 ZINC001571161956 952736088 /nfs/dbraw/zinc/73/60/88/952736088.db2.gz GFMDULNPFRFRGW-NSHDSACASA-N -1 1 380.416 0.434 20 0 GCADMM CN(C(=O)c1cc(C2CC2)n[nH]1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571161951 952736221 /nfs/dbraw/zinc/73/62/21/952736221.db2.gz GABKVJPLOQTWIE-NSHDSACASA-N -1 1 380.416 0.608 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3ccncn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571161906 952736394 /nfs/dbraw/zinc/73/63/94/952736394.db2.gz DRDOLVZAUAXQLI-XYPYZODXSA-N -1 1 380.416 0.630 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3ccncn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571161906 952736397 /nfs/dbraw/zinc/73/63/97/952736397.db2.gz DRDOLVZAUAXQLI-XYPYZODXSA-N -1 1 380.416 0.630 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)nn1 ZINC001571161935 952736436 /nfs/dbraw/zinc/73/64/36/952736436.db2.gz FREJMEMEXZOJBC-GFCCVEGCSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)nn1 ZINC001571161935 952736441 /nfs/dbraw/zinc/73/64/41/952736441.db2.gz FREJMEMEXZOJBC-GFCCVEGCSA-N -1 1 380.416 0.462 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001571162031 952737846 /nfs/dbraw/zinc/73/78/46/952737846.db2.gz IHTWYERVWMVWKP-LLVKDONJSA-N -1 1 380.416 0.608 20 0 GCADMM Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)cnn1C ZINC001571162086 952738176 /nfs/dbraw/zinc/73/81/76/952738176.db2.gz JQNSGFRPRHAHPC-RTXFEEFZSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)cnn1C ZINC001571162086 952738181 /nfs/dbraw/zinc/73/81/81/952738181.db2.gz JQNSGFRPRHAHPC-RTXFEEFZSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571162103 952738189 /nfs/dbraw/zinc/73/81/89/952738189.db2.gz KBDZXWFLNYDKRA-GFCCVEGCSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162103 952738192 /nfs/dbraw/zinc/73/81/92/952738192.db2.gz KBDZXWFLNYDKRA-GFCCVEGCSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571162070 952738547 /nfs/dbraw/zinc/73/85/47/952738547.db2.gz JGEVQMNJHNYJED-NEPJUHHUSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571162070 952738551 /nfs/dbraw/zinc/73/85/51/952738551.db2.gz JGEVQMNJHNYJED-NEPJUHHUSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1ccnc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571162050 952738678 /nfs/dbraw/zinc/73/86/78/952738678.db2.gz IUCLOHZQBRSVCA-GFCCVEGCSA-N -1 1 380.416 0.320 20 0 GCADMM Cc1ccnc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571162050 952738683 /nfs/dbraw/zinc/73/86/83/952738683.db2.gz IUCLOHZQBRSVCA-GFCCVEGCSA-N -1 1 380.416 0.320 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1c[nH]nc1C1CC1 ZINC001571162101 952738793 /nfs/dbraw/zinc/73/87/93/952738793.db2.gz JYVKRQHSWTZPCR-ONGXEEELSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1c[nH]nc1C1CC1 ZINC001571162101 952738797 /nfs/dbraw/zinc/73/87/97/952738797.db2.gz JYVKRQHSWTZPCR-ONGXEEELSA-N -1 1 380.416 0.972 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cccnn2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571162094 952738903 /nfs/dbraw/zinc/73/89/03/952738903.db2.gz JVYJZCDWMZWPIX-GFCCVEGCSA-N -1 1 380.416 0.435 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cccnn2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571162094 952738907 /nfs/dbraw/zinc/73/89/07/952738907.db2.gz JVYJZCDWMZWPIX-GFCCVEGCSA-N -1 1 380.416 0.435 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571162097 952739007 /nfs/dbraw/zinc/73/90/07/952739007.db2.gz JWPGJJPBEADCOL-BXUZGUMPSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571162097 952739009 /nfs/dbraw/zinc/73/90/09/952739009.db2.gz JWPGJJPBEADCOL-BXUZGUMPSA-N -1 1 380.416 0.338 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571162143 952739383 /nfs/dbraw/zinc/73/93/83/952739383.db2.gz LVTXUGHTXVXDOI-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571162143 952739387 /nfs/dbraw/zinc/73/93/87/952739387.db2.gz LVTXUGHTXVXDOI-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)n1 ZINC001571162185 952739466 /nfs/dbraw/zinc/73/94/66/952739466.db2.gz NDTNWOXRBHBMHG-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)n1 ZINC001571162185 952739468 /nfs/dbraw/zinc/73/94/68/952739468.db2.gz NDTNWOXRBHBMHG-ZYHUDNBSSA-N -1 1 380.416 0.575 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571162177 952739575 /nfs/dbraw/zinc/73/95/75/952739575.db2.gz MXGJSLAZOGNGRB-OTYXRUKQSA-N -1 1 380.416 0.830 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)ncn1 ZINC001571162144 952739598 /nfs/dbraw/zinc/73/95/98/952739598.db2.gz LYGDRXNYTPJHTL-NEPJUHHUSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)ncn1 ZINC001571162144 952739602 /nfs/dbraw/zinc/73/96/02/952739602.db2.gz LYGDRXNYTPJHTL-NEPJUHHUSA-N -1 1 380.416 0.860 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)c3ccnnc3)C2)n1 ZINC001571162188 952739689 /nfs/dbraw/zinc/73/96/89/952739689.db2.gz NIDMEUQCCIEWRJ-ZWNOBZJWSA-N -1 1 380.416 0.264 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)c3ccnnc3)C2)n1 ZINC001571162188 952739694 /nfs/dbraw/zinc/73/96/94/952739694.db2.gz NIDMEUQCCIEWRJ-ZWNOBZJWSA-N -1 1 380.416 0.264 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571162156 952739882 /nfs/dbraw/zinc/73/98/82/952739882.db2.gz MFQWIVPMXQIADY-RISCZKNCSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571162156 952739886 /nfs/dbraw/zinc/73/98/86/952739886.db2.gz MFQWIVPMXQIADY-RISCZKNCSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@@H](NC(=O)c1cncnc1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571162161 952740151 /nfs/dbraw/zinc/74/01/51/952740151.db2.gz MLCKNFBVESMATO-NEPJUHHUSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@@H](NC(=O)c1cncnc1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571162161 952740153 /nfs/dbraw/zinc/74/01/53/952740153.db2.gz MLCKNFBVESMATO-NEPJUHHUSA-N -1 1 380.416 0.482 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)n1 ZINC001571162128 952740216 /nfs/dbraw/zinc/74/02/16/952740216.db2.gz LGVDTBUKIXWDLT-RTXFEEFZSA-N -1 1 380.416 0.413 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)n1 ZINC001571162128 952740222 /nfs/dbraw/zinc/74/02/22/952740222.db2.gz LGVDTBUKIXWDLT-RTXFEEFZSA-N -1 1 380.416 0.413 20 0 GCADMM Cc1nc[nH]c1C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571162352 952741727 /nfs/dbraw/zinc/74/17/27/952741727.db2.gz RERAGCFYLQVNKQ-NEPJUHHUSA-N -1 1 380.416 0.287 20 0 GCADMM CCN(C(=O)c1cc(C)ncn1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571162350 952741764 /nfs/dbraw/zinc/74/17/64/952741764.db2.gz REHRDSTVXCJOJF-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1cc(C)ncn1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571162350 952741765 /nfs/dbraw/zinc/74/17/65/952741765.db2.gz REHRDSTVXCJOJF-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CN(CC1CCN(C(=O)c2cncnc2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571162316 952741872 /nfs/dbraw/zinc/74/18/72/952741872.db2.gz QFHCMRLUAGCOSG-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM CN(CC1CCN(C(=O)c2cncnc2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571162316 952741875 /nfs/dbraw/zinc/74/18/75/952741875.db2.gz QFHCMRLUAGCOSG-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM C[C@H](NC(=O)c1ncccn1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571162322 952741887 /nfs/dbraw/zinc/74/18/87/952741887.db2.gz QIGGHPJVQDNQQU-NSHDSACASA-N -1 1 380.416 0.482 20 0 GCADMM C[C@H](NC(=O)c1ncccn1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571162322 952741890 /nfs/dbraw/zinc/74/18/90/952741890.db2.gz QIGGHPJVQDNQQU-NSHDSACASA-N -1 1 380.416 0.482 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cnccn3)[C@H](C)C2)n1 ZINC001571162289 952742037 /nfs/dbraw/zinc/74/20/37/952742037.db2.gz PRMCBZWMHIUEQE-NEPJUHHUSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cnccn3)[C@H](C)C2)n1 ZINC001571162289 952742042 /nfs/dbraw/zinc/74/20/42/952742042.db2.gz PRMCBZWMHIUEQE-NEPJUHHUSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@]23CCC[C@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)n1 ZINC001571162326 952742367 /nfs/dbraw/zinc/74/23/67/952742367.db2.gz QJWDPSYYPBVRQR-SJKOYZFVSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@]23CCC[C@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)n1 ZINC001571162326 952742374 /nfs/dbraw/zinc/74/23/74/952742374.db2.gz QJWDPSYYPBVRQR-SJKOYZFVSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@]23CCC[C@@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)n1 ZINC001571162327 952742382 /nfs/dbraw/zinc/74/23/82/952742382.db2.gz QJWDPSYYPBVRQR-YVEFUNNKSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@]23CCC[C@@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)n1 ZINC001571162327 952742386 /nfs/dbraw/zinc/74/23/86/952742386.db2.gz QJWDPSYYPBVRQR-YVEFUNNKSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccncn3)C[C@@H]2C)n1 ZINC001571162400 952742671 /nfs/dbraw/zinc/74/26/71/952742671.db2.gz STDGZLPDPNHDNG-JQWIXIFHSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccncn3)C[C@@H]2C)n1 ZINC001571162400 952742678 /nfs/dbraw/zinc/74/26/78/952742678.db2.gz STDGZLPDPNHDNG-JQWIXIFHSA-N -1 1 380.416 0.718 20 0 GCADMM CCc1ncncc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571162595 952743796 /nfs/dbraw/zinc/74/37/96/952743796.db2.gz WACBVVFDDVGQDU-ZWNOBZJWSA-N -1 1 380.416 0.264 20 0 GCADMM CN(C)c1ccc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001571162593 952743966 /nfs/dbraw/zinc/74/39/66/952743966.db2.gz VZNFNIUWABLTGR-UHFFFAOYSA-N -1 1 380.416 0.080 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCN1C(=O)c1cccnn1 ZINC001571162440 952744123 /nfs/dbraw/zinc/74/41/23/952744123.db2.gz UMEWQUIXBOOSQN-FZMZJTMJSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCN1C(=O)c1cccnn1 ZINC001571162440 952744127 /nfs/dbraw/zinc/74/41/27/952744127.db2.gz UMEWQUIXBOOSQN-FZMZJTMJSA-N -1 1 380.416 0.942 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571162578 952744209 /nfs/dbraw/zinc/74/42/09/952744209.db2.gz VYANZYPOWQVUSL-NEPJUHHUSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571162578 952744213 /nfs/dbraw/zinc/74/42/13/952744213.db2.gz VYANZYPOWQVUSL-NEPJUHHUSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571162563 952744492 /nfs/dbraw/zinc/74/44/92/952744492.db2.gz VUCRPZGSXYFRRO-OTYXRUKQSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571162563 952744500 /nfs/dbraw/zinc/74/45/00/952744500.db2.gz VUCRPZGSXYFRRO-OTYXRUKQSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571162623 952745065 /nfs/dbraw/zinc/74/50/65/952745065.db2.gz WLGOEMBNVCWZCG-OSMZGAPFSA-N -1 1 380.416 0.536 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571162623 952745070 /nfs/dbraw/zinc/74/50/70/952745070.db2.gz WLGOEMBNVCWZCG-OSMZGAPFSA-N -1 1 380.416 0.536 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571162620 952745146 /nfs/dbraw/zinc/74/51/46/952745146.db2.gz WJLNIIRKRCMKJQ-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001571162620 952745150 /nfs/dbraw/zinc/74/51/50/952745150.db2.gz WJLNIIRKRCMKJQ-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571162769 952745927 /nfs/dbraw/zinc/74/59/27/952745927.db2.gz ZWRJWPHKPYEYRS-NEPJUHHUSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571162769 952745930 /nfs/dbraw/zinc/74/59/30/952745930.db2.gz ZWRJWPHKPYEYRS-NEPJUHHUSA-N -1 1 380.416 0.429 20 0 GCADMM Cc1cc(C(=O)N(C)C2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)c(C)nn1 ZINC001571162736 952745983 /nfs/dbraw/zinc/74/59/83/952745983.db2.gz YVVOPVATVAGBKI-UHFFFAOYSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1cc(C(=O)N(C)C2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)c(C)nn1 ZINC001571162736 952745986 /nfs/dbraw/zinc/74/59/86/952745986.db2.gz YVVOPVATVAGBKI-UHFFFAOYSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3cccnn3)CC[C@@H]2C)n1 ZINC001571162729 952746230 /nfs/dbraw/zinc/74/62/30/952746230.db2.gz YNPRFCVDOXRLOU-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3cccnn3)CC[C@@H]2C)n1 ZINC001571162729 952746233 /nfs/dbraw/zinc/74/62/33/952746233.db2.gz YNPRFCVDOXRLOU-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)cnn1 ZINC001571162759 952746395 /nfs/dbraw/zinc/74/63/95/952746395.db2.gz ZOBYAVIKDRIYHV-JOCQHMNTSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)cnn1 ZINC001571162759 952746398 /nfs/dbraw/zinc/74/63/98/952746398.db2.gz ZOBYAVIKDRIYHV-JOCQHMNTSA-N -1 1 380.416 0.908 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cn2c(n1)CCC2 ZINC001571165025 952747122 /nfs/dbraw/zinc/74/71/22/952747122.db2.gz BBMLVERATALGJQ-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cn2c(n1)CCC2 ZINC001571165025 952747128 /nfs/dbraw/zinc/74/71/28/952747128.db2.gz BBMLVERATALGJQ-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM Cc1ncncc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571165234 952749882 /nfs/dbraw/zinc/74/98/82/952749882.db2.gz GSBKKFAJYKMGKS-ZDUSSCGKSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ncncc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571165234 952749884 /nfs/dbraw/zinc/74/98/84/952749884.db2.gz GSBKKFAJYKMGKS-ZDUSSCGKSA-N -1 1 380.416 0.718 20 0 GCADMM Cn1nc(C2CC2)cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165486 952750689 /nfs/dbraw/zinc/75/06/89/952750689.db2.gz HXCFWWCUOJPFPD-LLVKDONJSA-N -1 1 380.416 0.594 20 0 GCADMM Cn1nc(C2CC2)cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165486 952750693 /nfs/dbraw/zinc/75/06/93/952750693.db2.gz HXCFWWCUOJPFPD-LLVKDONJSA-N -1 1 380.416 0.594 20 0 GCADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165510 952752441 /nfs/dbraw/zinc/75/24/41/952752441.db2.gz IQSBBYCHUSVKKP-QJPTWQEYSA-N -1 1 380.416 0.207 20 0 GCADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165510 952752445 /nfs/dbraw/zinc/75/24/45/952752445.db2.gz IQSBBYCHUSVKKP-QJPTWQEYSA-N -1 1 380.416 0.207 20 0 GCADMM O=C(c1cnc2n1CCC2)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571165575 952753159 /nfs/dbraw/zinc/75/31/59/952753159.db2.gz FTEIYIRPNRDIBU-NSHDSACASA-N -1 1 380.416 0.374 20 0 GCADMM O=C(c1cnc2n1CCC2)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571165575 952753162 /nfs/dbraw/zinc/75/31/62/952753162.db2.gz FTEIYIRPNRDIBU-NSHDSACASA-N -1 1 380.416 0.374 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnc2n1CCC2 ZINC001571165821 952754515 /nfs/dbraw/zinc/75/45/15/952754515.db2.gz LPDLTTHLZRLBAY-PHIMTYICSA-N -1 1 380.416 0.420 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnc2n1CCC2 ZINC001571165821 952754519 /nfs/dbraw/zinc/75/45/19/952754519.db2.gz LPDLTTHLZRLBAY-PHIMTYICSA-N -1 1 380.416 0.420 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(C2CC2)n[nH]1 ZINC001571165749 952755017 /nfs/dbraw/zinc/75/50/17/952755017.db2.gz JNYURXAAOHOBPI-NSHDSACASA-N -1 1 380.416 0.656 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(C2CC2)n[nH]1 ZINC001571165749 952755021 /nfs/dbraw/zinc/75/50/21/952755021.db2.gz JNYURXAAOHOBPI-NSHDSACASA-N -1 1 380.416 0.656 20 0 GCADMM O=C([C@@H]1CCc2n[nH]cc2C1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165837 952756491 /nfs/dbraw/zinc/75/64/91/952756491.db2.gz LVUPFJQYDVSQBR-PWSUYJOCSA-N -1 1 380.416 0.198 20 0 GCADMM O=C(c1cncnc1)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166055 952756830 /nfs/dbraw/zinc/75/68/30/952756830.db2.gz KFMJIEIIYSRVKF-CYBMUJFWSA-N -1 1 380.416 0.944 20 0 GCADMM O=C(c1cncnc1)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166055 952756833 /nfs/dbraw/zinc/75/68/33/952756833.db2.gz KFMJIEIIYSRVKF-CYBMUJFWSA-N -1 1 380.416 0.944 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571166067 952757065 /nfs/dbraw/zinc/75/70/65/952757065.db2.gz NBBGPKKKCLRJGW-DCAQKATOSA-N -1 1 380.416 0.559 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571166067 952757068 /nfs/dbraw/zinc/75/70/68/952757068.db2.gz NBBGPKKKCLRJGW-DCAQKATOSA-N -1 1 380.416 0.559 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166004 952757339 /nfs/dbraw/zinc/75/73/39/952757339.db2.gz MMCHQVYNYPUGNX-CMPLNLGQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166004 952757340 /nfs/dbraw/zinc/75/73/40/952757340.db2.gz MMCHQVYNYPUGNX-CMPLNLGQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571166101 952758337 /nfs/dbraw/zinc/75/83/37/952758337.db2.gz NODXTRJWIOIOJT-DGCLKSJQSA-N -1 1 380.416 0.188 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571166145 952758629 /nfs/dbraw/zinc/75/86/29/952758629.db2.gz OQXJFPNZBKXXSQ-ZDUSSCGKSA-N -1 1 380.416 0.029 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571166145 952758634 /nfs/dbraw/zinc/75/86/34/952758634.db2.gz OQXJFPNZBKXXSQ-ZDUSSCGKSA-N -1 1 380.416 0.029 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166094 952758727 /nfs/dbraw/zinc/75/87/27/952758727.db2.gz NLFFQVDZSKMDQF-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166094 952758735 /nfs/dbraw/zinc/75/87/35/952758735.db2.gz NLFFQVDZSKMDQF-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccnnc1 ZINC001571166199 952759913 /nfs/dbraw/zinc/75/99/13/952759913.db2.gz PYFGABRIBURXKJ-CYBMUJFWSA-N -1 1 380.416 0.626 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccnnc1 ZINC001571166199 952759918 /nfs/dbraw/zinc/75/99/18/952759918.db2.gz PYFGABRIBURXKJ-CYBMUJFWSA-N -1 1 380.416 0.626 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c(C)n1 ZINC001571166296 952759990 /nfs/dbraw/zinc/75/99/90/952759990.db2.gz QKSOBNBITRTLKK-MFKMUULPSA-N -1 1 380.416 0.201 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571166210 952760028 /nfs/dbraw/zinc/76/00/28/952760028.db2.gz QCGORZAGWIXUGS-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1nccc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571166210 952760030 /nfs/dbraw/zinc/76/00/30/952760030.db2.gz QCGORZAGWIXUGS-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cn1nc2c(c1C(=O)N1CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C1)CCC2 ZINC001571166417 952760717 /nfs/dbraw/zinc/76/07/17/952760717.db2.gz RKNKGAZOQJNWPJ-SNVBAGLBSA-N -1 1 380.416 0.206 20 0 GCADMM Cn1nc2c(c1C(=O)N1CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C1)CCC2 ZINC001571166417 952760722 /nfs/dbraw/zinc/76/07/22/952760722.db2.gz RKNKGAZOQJNWPJ-SNVBAGLBSA-N -1 1 380.416 0.206 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001571166458 952761480 /nfs/dbraw/zinc/76/14/80/952761480.db2.gz RXMVLMRZRXNSST-STQMWFEESA-N -1 1 380.416 0.393 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166458 952761482 /nfs/dbraw/zinc/76/14/82/952761482.db2.gz RXMVLMRZRXNSST-STQMWFEESA-N -1 1 380.416 0.393 20 0 GCADMM Cc1nc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)c[nH]1 ZINC001571166606 952762677 /nfs/dbraw/zinc/76/26/77/952762677.db2.gz UDNIFSAMTVDEBD-DIFFPNOSSA-N -1 1 380.416 0.287 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571166601 952762838 /nfs/dbraw/zinc/76/28/38/952762838.db2.gz UDIRXLAVDUAVRN-PWSUYJOCSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571166601 952762845 /nfs/dbraw/zinc/76/28/45/952762845.db2.gz UDIRXLAVDUAVRN-PWSUYJOCSA-N -1 1 380.416 0.542 20 0 GCADMM Cn1ncc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1C1CC1 ZINC001571166685 952764402 /nfs/dbraw/zinc/76/44/02/952764402.db2.gz VBTOTUCXAQLFKL-NSHDSACASA-N -1 1 380.416 0.276 20 0 GCADMM Cn1ncc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1C1CC1 ZINC001571166685 952764406 /nfs/dbraw/zinc/76/44/06/952764406.db2.gz VBTOTUCXAQLFKL-NSHDSACASA-N -1 1 380.416 0.276 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571166822 952765546 /nfs/dbraw/zinc/76/55/46/952765546.db2.gz WQKWWPPSVJBHOH-OLZOCXBDSA-N -1 1 380.416 0.543 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571166822 952765549 /nfs/dbraw/zinc/76/55/49/952765549.db2.gz WQKWWPPSVJBHOH-OLZOCXBDSA-N -1 1 380.416 0.543 20 0 GCADMM Cc1ncncc1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166858 952766306 /nfs/dbraw/zinc/76/63/06/952766306.db2.gz YERBBVLOFLLSHZ-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ncncc1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166858 952766308 /nfs/dbraw/zinc/76/63/08/952766308.db2.gz YERBBVLOFLLSHZ-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166945 952767425 /nfs/dbraw/zinc/76/74/25/952767425.db2.gz YYHWIOQSECYXFN-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166945 952767428 /nfs/dbraw/zinc/76/74/28/952767428.db2.gz YYHWIOQSECYXFN-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM O=C([C@@H]1CCc2nccn2C1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166952 952768203 /nfs/dbraw/zinc/76/82/03/952768203.db2.gz ZDPMGSBBFPEWFB-VXGBXAGGSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@@H]1CCc2nccn2C1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166952 952768205 /nfs/dbraw/zinc/76/82/05/952768205.db2.gz ZDPMGSBBFPEWFB-VXGBXAGGSA-N -1 1 380.416 0.129 20 0 GCADMM O=C(c1cn[nH]c1)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571167012 952768876 /nfs/dbraw/zinc/76/88/76/952768876.db2.gz SIIFYMKQJOKKSI-UHFFFAOYSA-N -1 1 380.416 0.513 20 0 GCADMM O=C(c1cn[nH]c1)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571167012 952768880 /nfs/dbraw/zinc/76/88/80/952768880.db2.gz SIIFYMKQJOKKSI-UHFFFAOYSA-N -1 1 380.416 0.513 20 0 GCADMM CC(C)(C)OC(=O)[C@H]1C[C@H](NS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001571167018 952769214 /nfs/dbraw/zinc/76/92/14/952769214.db2.gz SSKJBMCUTVTINE-MGCOHNPYSA-N -1 1 380.430 0.660 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571167099 952770144 /nfs/dbraw/zinc/77/01/44/952770144.db2.gz VROXXBREPSZENV-JTQLQIEISA-N -1 1 380.416 0.585 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571167099 952770148 /nfs/dbraw/zinc/77/01/48/952770148.db2.gz VROXXBREPSZENV-JTQLQIEISA-N -1 1 380.416 0.585 20 0 GCADMM O=C(c1cnccn1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571167210 952771105 /nfs/dbraw/zinc/77/11/05/952771105.db2.gz YGYKEVRRYCGEOK-UHFFFAOYSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1cnccn1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571167210 952771109 /nfs/dbraw/zinc/77/11/09/952771109.db2.gz YGYKEVRRYCGEOK-UHFFFAOYSA-N -1 1 380.416 0.801 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)c1-c1nnn[n-]1 ZINC001571167223 952771896 /nfs/dbraw/zinc/77/18/96/952771896.db2.gz YWJCJHOUHYENDJ-JTQLQIEISA-N -1 1 380.430 0.322 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)c1-c1nn[n-]n1 ZINC001571167223 952771898 /nfs/dbraw/zinc/77/18/98/952771898.db2.gz YWJCJHOUHYENDJ-JTQLQIEISA-N -1 1 380.430 0.322 20 0 GCADMM CN(C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571169508 952774928 /nfs/dbraw/zinc/77/49/28/952774928.db2.gz FGWAVMAQXZNYOT-AHMWJEGASA-N -1 1 380.456 0.986 20 0 GCADMM CN(C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571169508 952774932 /nfs/dbraw/zinc/77/49/32/952774932.db2.gz FGWAVMAQXZNYOT-AHMWJEGASA-N -1 1 380.456 0.986 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H](Cc1ccccc1)C1CC1 ZINC001571169945 952780409 /nfs/dbraw/zinc/78/04/09/952780409.db2.gz AFZXXOXFJPSFIN-CQSZACIVSA-N -1 1 381.396 0.267 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC001571169944 952780466 /nfs/dbraw/zinc/78/04/66/952780466.db2.gz AFZXXOXFJPSFIN-AWEZNQCLSA-N -1 1 381.396 0.267 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571169951 952780732 /nfs/dbraw/zinc/78/07/32/952780732.db2.gz AHGMSVLSBHJNFB-ZYHUDNBSSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571169951 952780736 /nfs/dbraw/zinc/78/07/36/952780736.db2.gz AHGMSVLSBHJNFB-ZYHUDNBSSA-N -1 1 381.400 0.720 20 0 GCADMM O=C(c1cncc(F)c1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571169990 952782076 /nfs/dbraw/zinc/78/20/76/952782076.db2.gz BVTAIVUODFYCJN-BETUJISGSA-N -1 1 381.375 0.684 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571170172 952783585 /nfs/dbraw/zinc/78/35/85/952783585.db2.gz FANBVMCVNIAKPM-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571170172 952783588 /nfs/dbraw/zinc/78/35/88/952783588.db2.gz FANBVMCVNIAKPM-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571170232 952784743 /nfs/dbraw/zinc/78/47/43/952784743.db2.gz GMZLXOZGSHUYMQ-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571170232 952784745 /nfs/dbraw/zinc/78/47/45/952784745.db2.gz GMZLXOZGSHUYMQ-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571170233 952785079 /nfs/dbraw/zinc/78/50/79/952785079.db2.gz GMZLXOZGSHUYMQ-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571170233 952785082 /nfs/dbraw/zinc/78/50/82/952785082.db2.gz GMZLXOZGSHUYMQ-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)COc1cccnc1 ZINC001571170406 952785924 /nfs/dbraw/zinc/78/59/24/952785924.db2.gz ITQGPGZSZZGRFT-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)COc1cccnc1 ZINC001571170406 952785925 /nfs/dbraw/zinc/78/59/25/952785925.db2.gz ITQGPGZSZZGRFT-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571170793 952787890 /nfs/dbraw/zinc/78/78/90/952787890.db2.gz LPCPBVCRWWEOGA-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571170742 952787963 /nfs/dbraw/zinc/78/79/63/952787963.db2.gz LDFAXJKKOJLZPZ-WDEREUQCSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571170742 952787967 /nfs/dbraw/zinc/78/79/67/952787967.db2.gz LDFAXJKKOJLZPZ-WDEREUQCSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571170744 952788413 /nfs/dbraw/zinc/78/84/13/952788413.db2.gz LDFICWVIJBVWRR-CMPLNLGQSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571170744 952788417 /nfs/dbraw/zinc/78/84/17/952788417.db2.gz LDFICWVIJBVWRR-CMPLNLGQSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571171055 952790717 /nfs/dbraw/zinc/79/07/17/952790717.db2.gz MPYYVBQMORIDBH-MNOVXSKESA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571171055 952790722 /nfs/dbraw/zinc/79/07/22/952790722.db2.gz MPYYVBQMORIDBH-MNOVXSKESA-N -1 1 381.400 0.578 20 0 GCADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571171260 952791451 /nfs/dbraw/zinc/79/14/51/952791451.db2.gz QMFGBQHQOGLEMB-JQWIXIFHSA-N -1 1 381.400 0.863 20 0 GCADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571171260 952791455 /nfs/dbraw/zinc/79/14/55/952791455.db2.gz QMFGBQHQOGLEMB-JQWIXIFHSA-N -1 1 381.400 0.863 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571171263 952791681 /nfs/dbraw/zinc/79/16/81/952791681.db2.gz QMFGBQHQOGLEMB-PWSUYJOCSA-N -1 1 381.400 0.863 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571171263 952791686 /nfs/dbraw/zinc/79/16/86/952791686.db2.gz QMFGBQHQOGLEMB-PWSUYJOCSA-N -1 1 381.400 0.863 20 0 GCADMM CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)no1 ZINC001571171271 952792067 /nfs/dbraw/zinc/79/20/67/952792067.db2.gz QOELGYAPMPBDFP-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)no1 ZINC001571171271 952792069 /nfs/dbraw/zinc/79/20/69/952792069.db2.gz QOELGYAPMPBDFP-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CCN(C(=O)c1cccc(=O)[nH]1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571171300 952792964 /nfs/dbraw/zinc/79/29/64/952792964.db2.gz QRPUFPNSJMMGNZ-NSHDSACASA-N -1 1 381.400 0.498 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(CC(N)=O)[C@H](C)c1ccccc1 ZINC001571171413 952793000 /nfs/dbraw/zinc/79/30/00/952793000.db2.gz SNKGDSXVHFWZRL-LLVKDONJSA-N -1 1 381.396 0.964 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571171411 952793067 /nfs/dbraw/zinc/79/30/67/952793067.db2.gz SKMACIKIVKPHPK-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571171411 952793070 /nfs/dbraw/zinc/79/30/70/952793070.db2.gz SKMACIKIVKPHPK-ZYHUDNBSSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C2CC2)on1 ZINC001571171621 952795171 /nfs/dbraw/zinc/79/51/71/952795171.db2.gz UCYJKJCBAHWRRG-ONGXEEELSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571171820 952797743 /nfs/dbraw/zinc/79/77/43/952797743.db2.gz XHYZDDGGFUIARF-JQWIXIFHSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571171820 952797748 /nfs/dbraw/zinc/79/77/48/952797748.db2.gz XHYZDDGGFUIARF-JQWIXIFHSA-N -1 1 381.400 0.720 20 0 GCADMM Cn1cnc(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571171948 952798970 /nfs/dbraw/zinc/79/89/70/952798970.db2.gz JOFVRLGPGGLUFY-LURJTMIESA-N -1 1 380.825 0.432 20 0 GCADMM Cn1cnc(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571171948 952798974 /nfs/dbraw/zinc/79/89/74/952798974.db2.gz JOFVRLGPGGLUFY-LURJTMIESA-N -1 1 380.825 0.432 20 0 GCADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571172566 952808509 /nfs/dbraw/zinc/80/85/09/952808509.db2.gz XJKTUBLAIXPMDK-RYPNDVFKSA-N -1 1 380.456 0.988 20 0 GCADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571172566 952808512 /nfs/dbraw/zinc/80/85/12/952808512.db2.gz XJKTUBLAIXPMDK-RYPNDVFKSA-N -1 1 380.456 0.988 20 0 GCADMM CN(C(=O)c1ocnc1C1CC1)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174547 952809485 /nfs/dbraw/zinc/80/94/85/952809485.db2.gz ABNMEFXZLCUCPM-UHFFFAOYSA-N -1 1 381.400 0.659 20 0 GCADMM COc1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571174651 952811139 /nfs/dbraw/zinc/81/11/39/952811139.db2.gz DHZLDKIDFWUCCB-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571174651 952811147 /nfs/dbraw/zinc/81/11/47/952811147.db2.gz DHZLDKIDFWUCCB-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)no1 ZINC001571174614 952811523 /nfs/dbraw/zinc/81/15/23/952811523.db2.gz CAFJOXMLZXKSHH-PXAZEXFGSA-N -1 1 381.400 0.885 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571174686 952812369 /nfs/dbraw/zinc/81/23/69/952812369.db2.gz FFNAHAHXKFRYKR-GHMZBOCLSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571174686 952812372 /nfs/dbraw/zinc/81/23/72/952812372.db2.gz FFNAHAHXKFRYKR-GHMZBOCLSA-N -1 1 381.400 0.775 20 0 GCADMM Cc1ocnc1C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571174706 952813409 /nfs/dbraw/zinc/81/34/09/952813409.db2.gz FWPVMCSAUJJOKF-TXEJJXNPSA-N -1 1 381.400 0.470 20 0 GCADMM Cc1ocnc1C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571174706 952813413 /nfs/dbraw/zinc/81/34/13/952813413.db2.gz FWPVMCSAUJJOKF-TXEJJXNPSA-N -1 1 381.400 0.470 20 0 GCADMM COc1ncccc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174783 952813720 /nfs/dbraw/zinc/81/37/20/952813720.db2.gz IBPVDRABIWFNGB-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)no1 ZINC001571174802 952813993 /nfs/dbraw/zinc/81/39/93/952813993.db2.gz INOLPJMXCBLRHB-TUAOUCFPSA-N -1 1 381.400 0.740 20 0 GCADMM COc1cccnc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571174775 952814603 /nfs/dbraw/zinc/81/46/03/952814603.db2.gz HXXZQLZVGMMDEI-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccnc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571174775 952814611 /nfs/dbraw/zinc/81/46/11/952814611.db2.gz HXXZQLZVGMMDEI-NSHDSACASA-N -1 1 381.400 0.459 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001571174809 952814878 /nfs/dbraw/zinc/81/48/78/952814878.db2.gz IVQSJXAQGPMDIG-NOZJJQNGSA-N -1 1 381.400 0.777 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC001571174809 952814884 /nfs/dbraw/zinc/81/48/84/952814884.db2.gz IVQSJXAQGPMDIG-NOZJJQNGSA-N -1 1 381.400 0.777 20 0 GCADMM Cc1cc(C2(C(=O)N[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)CC2)on1 ZINC001571174819 952815384 /nfs/dbraw/zinc/81/53/84/952815384.db2.gz JBHSOIVHDSCFCA-NSHDSACASA-N -1 1 381.400 0.380 20 0 GCADMM Cc1ccc(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)c(=O)[nH]1 ZINC001571174853 952815811 /nfs/dbraw/zinc/81/58/11/952815811.db2.gz KLIQJDVTSBVLNC-UHFFFAOYSA-N -1 1 381.400 0.782 20 0 GCADMM Cc1ccc(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)c(=O)[nH]1 ZINC001571174853 952815820 /nfs/dbraw/zinc/81/58/20/952815820.db2.gz KLIQJDVTSBVLNC-UHFFFAOYSA-N -1 1 381.400 0.782 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1CNC(=O)c1ncccc1O ZINC001571174906 952817233 /nfs/dbraw/zinc/81/72/33/952817233.db2.gz MJMQIASIYYWVOE-GHMZBOCLSA-N -1 1 381.400 0.260 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001571174906 952817241 /nfs/dbraw/zinc/81/72/41/952817241.db2.gz MJMQIASIYYWVOE-GHMZBOCLSA-N -1 1 381.400 0.260 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCN(C(=O)c4cocn4)C3)C2)n1 ZINC001571175136 952818690 /nfs/dbraw/zinc/81/86/90/952818690.db2.gz QJKDAGRRDATUJM-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCN(C(=O)c4cocn4)C3)C2)n1 ZINC001571175136 952818696 /nfs/dbraw/zinc/81/86/96/952818696.db2.gz QJKDAGRRDATUJM-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)c[nH]1 ZINC001571175352 952820999 /nfs/dbraw/zinc/82/09/99/952820999.db2.gz UCQCAVGLCPHSDA-MNOVXSKESA-N -1 1 381.400 0.369 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)c[nH]1 ZINC001571175352 952821004 /nfs/dbraw/zinc/82/10/04/952821004.db2.gz UCQCAVGLCPHSDA-MNOVXSKESA-N -1 1 381.400 0.369 20 0 GCADMM CN(C(=O)c1ocnc1C1CC1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571175595 952822470 /nfs/dbraw/zinc/82/24/70/952822470.db2.gz WGYLWHYCRYVSOH-NSHDSACASA-N -1 1 381.400 0.873 20 0 GCADMM CN(C(=O)c1ocnc1C1CC1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571175595 952822477 /nfs/dbraw/zinc/82/24/77/952822477.db2.gz WGYLWHYCRYVSOH-NSHDSACASA-N -1 1 381.400 0.873 20 0 GCADMM O=C(N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(=O)[nH]1 ZINC001571175702 952825394 /nfs/dbraw/zinc/82/53/94/952825394.db2.gz FMKZESFDBSQHMD-QWRGUYRKSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(=O)[nH]1 ZINC001571175702 952825397 /nfs/dbraw/zinc/82/53/97/952825397.db2.gz FMKZESFDBSQHMD-QWRGUYRKSA-N -1 1 381.400 0.910 20 0 GCADMM Cc1ncoc1C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571176097 952827824 /nfs/dbraw/zinc/82/78/24/952827824.db2.gz KWKLAWSHFKCDCB-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1ncoc1C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571176097 952827832 /nfs/dbraw/zinc/82/78/32/952827832.db2.gz KWKLAWSHFKCDCB-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1conc1C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571175967 952828417 /nfs/dbraw/zinc/82/84/17/952828417.db2.gz KBAQYZOHISCIGE-WDEREUQCSA-N -1 1 381.400 0.528 20 0 GCADMM O=C(Cc1cnoc1)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571175971 952828615 /nfs/dbraw/zinc/82/86/15/952828615.db2.gz KHGFHHACFXTTGJ-CHWSQXEVSA-N -1 1 381.400 0.315 20 0 GCADMM O=C(Cc1cnoc1)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571175971 952828621 /nfs/dbraw/zinc/82/86/21/952828621.db2.gz KHGFHHACFXTTGJ-CHWSQXEVSA-N -1 1 381.400 0.315 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571176335 952830827 /nfs/dbraw/zinc/83/08/27/952830827.db2.gz PUBIWPVPXSBKAF-NWDGAFQWSA-N -1 1 381.400 0.149 20 0 GCADMM Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571176359 952831065 /nfs/dbraw/zinc/83/10/65/952831065.db2.gz QKMGFLBGZYISHK-WZRBSPASSA-N -1 1 381.400 0.801 20 0 GCADMM Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571176359 952831069 /nfs/dbraw/zinc/83/10/69/952831069.db2.gz QKMGFLBGZYISHK-WZRBSPASSA-N -1 1 381.400 0.801 20 0 GCADMM Cc1cnoc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571176322 952831103 /nfs/dbraw/zinc/83/11/03/952831103.db2.gz PIFIKFHXDZYDHW-YOGCLGLASA-N -1 1 381.400 0.883 20 0 GCADMM Cc1cnoc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571176322 952831106 /nfs/dbraw/zinc/83/11/06/952831106.db2.gz PIFIKFHXDZYDHW-YOGCLGLASA-N -1 1 381.400 0.883 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571176473 952831602 /nfs/dbraw/zinc/83/16/02/952831602.db2.gz RGVVUBCNSGXXQB-GFCCVEGCSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571176473 952831607 /nfs/dbraw/zinc/83/16/07/952831607.db2.gz RGVVUBCNSGXXQB-GFCCVEGCSA-N -1 1 381.400 0.742 20 0 GCADMM O=C(Cc1ccon1)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571176398 952832023 /nfs/dbraw/zinc/83/20/23/952832023.db2.gz RCWSTABHWNUHGT-CHWSQXEVSA-N -1 1 381.400 0.727 20 0 GCADMM O=C(Cc1ccon1)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571176398 952832029 /nfs/dbraw/zinc/83/20/29/952832029.db2.gz RCWSTABHWNUHGT-CHWSQXEVSA-N -1 1 381.400 0.727 20 0 GCADMM O=C(NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1)c1ccon1 ZINC001571176488 952832200 /nfs/dbraw/zinc/83/22/00/952832200.db2.gz RSHHWMVJNUJDQD-UHFFFAOYSA-N -1 1 381.400 0.824 20 0 GCADMM O=C(NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1)c1ccon1 ZINC001571176488 952832203 /nfs/dbraw/zinc/83/22/03/952832203.db2.gz RSHHWMVJNUJDQD-UHFFFAOYSA-N -1 1 381.400 0.824 20 0 GCADMM Cc1ncoc1C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571176542 952833127 /nfs/dbraw/zinc/83/31/27/952833127.db2.gz UGKCWYLNZPFLPZ-LLVKDONJSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1conc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571176695 952834406 /nfs/dbraw/zinc/83/44/06/952834406.db2.gz XMCUFRPNLKUYCF-NEPJUHHUSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1conc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571176695 952834411 /nfs/dbraw/zinc/83/44/11/952834411.db2.gz XMCUFRPNLKUYCF-NEPJUHHUSA-N -1 1 381.400 0.837 20 0 GCADMM Cc1nc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nnn[n-]2)C3)co1 ZINC001571176786 952834736 /nfs/dbraw/zinc/83/47/36/952834736.db2.gz XSORZJQDLVDSKM-GTNSWQLSSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1nc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nn[n-]n2)C3)co1 ZINC001571176786 952834742 /nfs/dbraw/zinc/83/47/42/952834742.db2.gz XSORZJQDLVDSKM-GTNSWQLSSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571176885 952836185 /nfs/dbraw/zinc/83/61/85/952836185.db2.gz ZBPVWCWJDLZZAY-TUAOUCFPSA-N -1 1 381.400 0.740 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571176885 952836191 /nfs/dbraw/zinc/83/61/91/952836191.db2.gz ZBPVWCWJDLZZAY-TUAOUCFPSA-N -1 1 381.400 0.740 20 0 GCADMM O=C(c1ccon1)N1C[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C1 ZINC001571178288 952837356 /nfs/dbraw/zinc/83/73/56/952837356.db2.gz FIELRGRWPMBQON-SDDRHHMPSA-N -1 1 381.400 0.419 20 0 GCADMM O=C(c1ccon1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571178672 952844446 /nfs/dbraw/zinc/84/44/46/952844446.db2.gz QRMVIMREEMIDSS-WCQYABFASA-N -1 1 381.400 0.776 20 0 GCADMM O=C(c1noc2c1CCCC2)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571178762 952846089 /nfs/dbraw/zinc/84/60/89/952846089.db2.gz SUOQWEPGHLHDDZ-UHFFFAOYSA-N -1 1 381.400 0.486 20 0 GCADMM O=C(c1noc2c1CCCC2)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571178762 952846093 /nfs/dbraw/zinc/84/60/93/952846093.db2.gz SUOQWEPGHLHDDZ-UHFFFAOYSA-N -1 1 381.400 0.486 20 0 GCADMM O=C(c1cnco1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001571178783 952847628 /nfs/dbraw/zinc/84/76/28/952847628.db2.gz UGDGFZDQZVLZED-QJPTWQEYSA-N -1 1 381.400 0.998 20 0 GCADMM O=C(c1cnco1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001571178783 952847633 /nfs/dbraw/zinc/84/76/33/952847633.db2.gz UGDGFZDQZVLZED-QJPTWQEYSA-N -1 1 381.400 0.998 20 0 GCADMM O=C(c1ocnc1C1CC1)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571178921 952848895 /nfs/dbraw/zinc/84/88/95/952848895.db2.gz YCJJUQBTOCAEKY-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178909 952849563 /nfs/dbraw/zinc/84/95/63/952849563.db2.gz XPXVWSRTLRMCEM-NSHDSACASA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178909 952849570 /nfs/dbraw/zinc/84/95/70/952849570.db2.gz XPXVWSRTLRMCEM-NSHDSACASA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1cnco1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571178930 952850854 /nfs/dbraw/zinc/85/08/54/952850854.db2.gz YLLXQRSRJBMXFK-NWDGAFQWSA-N -1 1 381.400 0.776 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)n1cccc1 ZINC001571179425 952853466 /nfs/dbraw/zinc/85/34/66/952853466.db2.gz DNSXKEMUVDQBDB-MGPQQGTHSA-N -1 1 381.444 0.648 20 0 GCADMM COc1ccc([C@H](O)CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001571182678 952867144 /nfs/dbraw/zinc/86/71/44/952867144.db2.gz BJWPSOXUJYKUQW-LLVKDONJSA-N -1 1 381.439 0.949 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571183254 952875460 /nfs/dbraw/zinc/87/54/60/952875460.db2.gz UPZORHFIOSOZDV-ZUZCIYMTSA-N -1 1 381.437 0.845 20 0 GCADMM CCc1c(C(=O)N2C[C@@H](N=c3cc[nH]c(-c4nn[n-]n4)n3)C[C@H]2C)ccn1C ZINC001571183745 952882151 /nfs/dbraw/zinc/88/21/51/952882151.db2.gz IOFOYKMGUOMSKD-NEPJUHHUSA-N -1 1 381.444 0.695 20 0 GCADMM CCc1c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)ccn1C ZINC001571184296 952890306 /nfs/dbraw/zinc/89/03/06/952890306.db2.gz VRPANAHFOVYIRQ-GFCCVEGCSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)ccn1C ZINC001571184296 952890311 /nfs/dbraw/zinc/89/03/11/952890311.db2.gz VRPANAHFOVYIRQ-GFCCVEGCSA-N -1 1 381.444 0.956 20 0 GCADMM CCn1ccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)c1C ZINC001571184810 952897582 /nfs/dbraw/zinc/89/75/82/952897582.db2.gz DHNBOWZIICFJSF-AAEUAGOBSA-N -1 1 381.444 0.924 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)CCn2cccc2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571185007 952899111 /nfs/dbraw/zinc/89/91/11/952899111.db2.gz GPUWPNIAEYGTEV-AWEZNQCLSA-N -1 1 381.444 0.833 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)CCn2cccc2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571185007 952899115 /nfs/dbraw/zinc/89/91/15/952899115.db2.gz GPUWPNIAEYGTEV-AWEZNQCLSA-N -1 1 381.444 0.833 20 0 GCADMM CCn1ccc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571185762 952903156 /nfs/dbraw/zinc/90/31/56/952903156.db2.gz PHOUWHBNFYBHHS-UHFFFAOYSA-N -1 1 381.444 0.829 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)CCn2cccc2)CC1 ZINC001571186135 952905084 /nfs/dbraw/zinc/90/50/84/952905084.db2.gz TXUGKHMKPALRJB-UHFFFAOYSA-N -1 1 381.444 0.976 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)CCn2cccc2)CC1 ZINC001571186135 952905088 /nfs/dbraw/zinc/90/50/88/952905088.db2.gz TXUGKHMKPALRJB-UHFFFAOYSA-N -1 1 381.444 0.976 20 0 GCADMM C[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1NC(=O)c1cnon1 ZINC001571191742 952947936 /nfs/dbraw/zinc/94/79/36/952947936.db2.gz RYPCABXSZURMOP-IYSWYEEDSA-N -1 1 381.809 0.614 20 0 GCADMM C[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1NC(=O)c1cnon1 ZINC001571191742 952947941 /nfs/dbraw/zinc/94/79/41/952947941.db2.gz RYPCABXSZURMOP-IYSWYEEDSA-N -1 1 381.809 0.614 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc[nH]c1=O ZINC001571193767 952951667 /nfs/dbraw/zinc/95/16/67/952951667.db2.gz BVKHUAQJZFDCEL-UWVGGRQHSA-N -1 1 382.388 0.258 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571193220 952952366 /nfs/dbraw/zinc/95/23/66/952952366.db2.gz ZRNZIUYABQKMCX-LURJTMIESA-N -1 1 381.809 0.995 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571193220 952952368 /nfs/dbraw/zinc/95/23/68/952952368.db2.gz ZRNZIUYABQKMCX-LURJTMIESA-N -1 1 381.809 0.995 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)n1 ZINC001571193796 952953005 /nfs/dbraw/zinc/95/30/05/952953005.db2.gz CSUQNZDTLLQDAJ-UHFFFAOYSA-N -1 1 382.388 0.177 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)c3cn[nH]c(=O)c3)CC2)n1 ZINC001571193796 952953011 /nfs/dbraw/zinc/95/30/11/952953011.db2.gz CSUQNZDTLLQDAJ-UHFFFAOYSA-N -1 1 382.388 0.177 20 0 GCADMM O=C(c1cnon1)N1CC[C@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571193795 952953103 /nfs/dbraw/zinc/95/31/03/952953103.db2.gz COWIPWGDZNKYGJ-MRXNPFEDSA-N -1 1 382.388 0.172 20 0 GCADMM O=C(c1cnon1)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571193795 952953108 /nfs/dbraw/zinc/95/31/08/952953108.db2.gz COWIPWGDZNKYGJ-MRXNPFEDSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)ncn1 ZINC001571193902 952954379 /nfs/dbraw/zinc/95/43/79/952954379.db2.gz GMSCSKPGGFZGCZ-UWVGGRQHSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)ncn1 ZINC001571193902 952954385 /nfs/dbraw/zinc/95/43/85/952954385.db2.gz GMSCSKPGGFZGCZ-UWVGGRQHSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)ncn1 ZINC001571193904 952954674 /nfs/dbraw/zinc/95/46/74/952954674.db2.gz GMSCSKPGGFZGCZ-VHSXEESVSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)ncn1 ZINC001571193904 952954678 /nfs/dbraw/zinc/95/46/78/952954678.db2.gz GMSCSKPGGFZGCZ-VHSXEESVSA-N -1 1 382.388 0.170 20 0 GCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001571194009 952955875 /nfs/dbraw/zinc/95/58/75/952955875.db2.gz DVVGCBIGEWBSQL-SNVBAGLBSA-N -1 1 382.306 0.327 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571194219 952959348 /nfs/dbraw/zinc/95/93/48/952959348.db2.gz JTQIUFAPKAKDED-MWLCHTKSSA-N -1 1 382.388 0.258 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571194219 952959349 /nfs/dbraw/zinc/95/93/49/952959349.db2.gz JTQIUFAPKAKDED-MWLCHTKSSA-N -1 1 382.388 0.258 20 0 GCADMM O=C(c1ccc(=O)[nH]n1)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571194385 952962220 /nfs/dbraw/zinc/96/22/20/952962220.db2.gz MWEFSVNKALDQCA-UHFFFAOYSA-N -1 1 382.388 0.117 20 0 GCADMM O=C(c1ccc(=O)[nH]n1)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571194385 952962222 /nfs/dbraw/zinc/96/22/22/952962222.db2.gz MWEFSVNKALDQCA-UHFFFAOYSA-N -1 1 382.388 0.117 20 0 GCADMM COc1cnc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001571194525 952964193 /nfs/dbraw/zinc/96/41/93/952964193.db2.gz NVFJQLJOSSDZEU-AOOOYVTPSA-N -1 1 382.388 0.076 20 0 GCADMM COc1cnc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001571194525 952964199 /nfs/dbraw/zinc/96/41/99/952964199.db2.gz NVFJQLJOSSDZEU-AOOOYVTPSA-N -1 1 382.388 0.076 20 0 GCADMM COc1cnc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)nc1 ZINC001571194713 952967001 /nfs/dbraw/zinc/96/70/01/952967001.db2.gz QNLAYDUOWKGNPQ-CABZTGNLSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cnc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)nc1 ZINC001571194713 952967002 /nfs/dbraw/zinc/96/70/02/952967002.db2.gz QNLAYDUOWKGNPQ-CABZTGNLSA-N -1 1 382.388 0.028 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CN1C(=O)c1ncccc1[O-] ZINC001571194860 952969865 /nfs/dbraw/zinc/96/98/65/952969865.db2.gz TVVFAGWDAKEWTR-ZJUUUORDSA-N -1 1 382.384 0.328 20 0 GCADMM Cc1nonc1C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571194954 952971617 /nfs/dbraw/zinc/97/16/17/952971617.db2.gz VFUIZPHWHDHWHH-LLVKDONJSA-N -1 1 382.388 0.137 20 0 GCADMM Cc1nonc1C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571194954 952971623 /nfs/dbraw/zinc/97/16/23/952971623.db2.gz VFUIZPHWHDHWHH-LLVKDONJSA-N -1 1 382.388 0.137 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnc[nH]c1=O ZINC001571195169 952974948 /nfs/dbraw/zinc/97/49/48/952974948.db2.gz YRPFYRAFVYZCQR-NXEZZACHSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnc[nH]c1=O ZINC001571195169 952974955 /nfs/dbraw/zinc/97/49/55/952974955.db2.gz YRPFYRAFVYZCQR-NXEZZACHSA-N -1 1 382.388 0.305 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cc1cccc(F)c1 ZINC001571196481 952981091 /nfs/dbraw/zinc/98/10/91/952981091.db2.gz KZXKGQDUZYFROK-SMDDNHRTSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571201160 953015525 /nfs/dbraw/zinc/01/55/25/953015525.db2.gz OMMUPNZGDFCVFJ-DRRJOOEUSA-N -1 1 382.428 0.165 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571201160 953015530 /nfs/dbraw/zinc/01/55/30/953015530.db2.gz OMMUPNZGDFCVFJ-DRRJOOEUSA-N -1 1 382.428 0.165 20 0 GCADMM O=C([C@H]1C[C@@]12CCOC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571204631 953031063 /nfs/dbraw/zinc/03/10/63/953031063.db2.gz ATDNQYUOXZSMEF-SJBDTSRBSA-N -1 1 382.428 0.263 20 0 GCADMM O=C([C@H]1C[C@@]12CCOC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571204631 953031069 /nfs/dbraw/zinc/03/10/69/953031069.db2.gz ATDNQYUOXZSMEF-SJBDTSRBSA-N -1 1 382.428 0.263 20 0 GCADMM CC(C)Cn1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571204663 953031126 /nfs/dbraw/zinc/03/11/26/953031126.db2.gz BDDVOJWMJTZVIB-GFCCVEGCSA-N -1 1 382.432 0.836 20 0 GCADMM CC(C)Cn1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571204663 953031131 /nfs/dbraw/zinc/03/11/31/953031131.db2.gz BDDVOJWMJTZVIB-GFCCVEGCSA-N -1 1 382.432 0.836 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571204718 953032495 /nfs/dbraw/zinc/03/24/95/953032495.db2.gz CZPIUKRCPYNBKH-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571204718 953032501 /nfs/dbraw/zinc/03/25/01/953032501.db2.gz CZPIUKRCPYNBKH-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571204838 953032596 /nfs/dbraw/zinc/03/25/96/953032596.db2.gz CSCWTLXUFXVAMZ-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571204838 953032600 /nfs/dbraw/zinc/03/26/00/953032600.db2.gz CSCWTLXUFXVAMZ-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM CCc1c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)cnn1C ZINC001571204865 953033336 /nfs/dbraw/zinc/03/33/36/953033336.db2.gz DGRUESWOYOMZBW-ZYHUDNBSSA-N -1 1 382.432 0.207 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001571204876 953033437 /nfs/dbraw/zinc/03/34/37/953033437.db2.gz DOHIXEHYVVPUEG-RISCZKNCSA-N -1 1 382.432 0.886 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001571204876 953033442 /nfs/dbraw/zinc/03/34/42/953033442.db2.gz DOHIXEHYVVPUEG-RISCZKNCSA-N -1 1 382.432 0.886 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001571204877 953033477 /nfs/dbraw/zinc/03/34/77/953033477.db2.gz DOHIXEHYVVPUEG-SMDDNHRTSA-N -1 1 382.432 0.886 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)c1ccn(C)n1 ZINC001571204877 953033480 /nfs/dbraw/zinc/03/34/80/953033480.db2.gz DOHIXEHYVVPUEG-SMDDNHRTSA-N -1 1 382.432 0.886 20 0 GCADMM O=C(C1=COCCC1)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571204935 953033633 /nfs/dbraw/zinc/03/36/33/953033633.db2.gz DLHJBGORAUWIFT-KGLIPLIRSA-N -1 1 382.428 0.921 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001571204901 953033893 /nfs/dbraw/zinc/03/38/93/953033893.db2.gz FMKGLVHUKNCMAT-YPMHNXCESA-N -1 1 382.432 0.660 20 0 GCADMM CCCn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001571204901 953033899 /nfs/dbraw/zinc/03/38/99/953033899.db2.gz FMKGLVHUKNCMAT-YPMHNXCESA-N -1 1 382.432 0.660 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571204898 953034169 /nfs/dbraw/zinc/03/41/69/953034169.db2.gz FKBLKARDSPMAAB-ZDUSSCGKSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571204898 953034172 /nfs/dbraw/zinc/03/41/72/953034172.db2.gz FKBLKARDSPMAAB-ZDUSSCGKSA-N -1 1 382.432 0.372 20 0 GCADMM CCc1cc(C(=O)NC2CC(CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571204870 953034203 /nfs/dbraw/zinc/03/42/03/953034203.db2.gz DJZPSIWIXSUFOI-UHFFFAOYSA-N -1 1 382.432 0.871 20 0 GCADMM CCc1cc(C(=O)NC2CC(CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571204870 953034205 /nfs/dbraw/zinc/03/42/05/953034205.db2.gz DJZPSIWIXSUFOI-UHFFFAOYSA-N -1 1 382.432 0.871 20 0 GCADMM O=C(C1=COCCC1)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571204939 953034737 /nfs/dbraw/zinc/03/47/37/953034737.db2.gz DLHJBGORAUWIFT-ZIAGYGMSSA-N -1 1 382.428 0.921 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571204946 953035121 /nfs/dbraw/zinc/03/51/21/953035121.db2.gz DNLQIXXGLWRMAQ-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571204946 953035123 /nfs/dbraw/zinc/03/51/23/953035123.db2.gz DNLQIXXGLWRMAQ-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205065 953035128 /nfs/dbraw/zinc/03/51/28/953035128.db2.gz GAZCGUJIEKDGMD-LLVKDONJSA-N -1 1 382.432 0.357 20 0 GCADMM CCCn1nccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205163 953035903 /nfs/dbraw/zinc/03/59/03/953035903.db2.gz GTYKXOYJZZGTOO-LBPRGKRZSA-N -1 1 382.432 0.980 20 0 GCADMM CCCn1nccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205163 953035905 /nfs/dbraw/zinc/03/59/05/953035905.db2.gz GTYKXOYJZZGTOO-LBPRGKRZSA-N -1 1 382.432 0.980 20 0 GCADMM CCCc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571205136 953036253 /nfs/dbraw/zinc/03/62/53/953036253.db2.gz FZQNMQMJRZKSON-IINYFYTJSA-N -1 1 382.432 0.905 20 0 GCADMM CCc1nc(NC2CC(CNC(=O)c3nc(C)c[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571205214 953036978 /nfs/dbraw/zinc/03/69/78/953036978.db2.gz HOYWTCVQAMXFSM-UHFFFAOYSA-N -1 1 382.432 0.871 20 0 GCADMM CCc1nc(NC2CC(CNC(=O)c3nc(C)c[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571205214 953036982 /nfs/dbraw/zinc/03/69/82/953036982.db2.gz HOYWTCVQAMXFSM-UHFFFAOYSA-N -1 1 382.432 0.871 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001571205329 953037335 /nfs/dbraw/zinc/03/73/35/953037335.db2.gz HAGJLSSPCPAWTF-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001571205329 953037339 /nfs/dbraw/zinc/03/73/39/953037339.db2.gz HAGJLSSPCPAWTF-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM CC(C)c1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571205319 953037486 /nfs/dbraw/zinc/03/74/86/953037486.db2.gz GTIAYZFPQQVTLM-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571205319 953037489 /nfs/dbraw/zinc/03/74/89/953037489.db2.gz GTIAYZFPQQVTLM-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cnn(C)c3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571205438 953037852 /nfs/dbraw/zinc/03/78/52/953037852.db2.gz IMKYJBVMFZXLCL-NSHDSACASA-N -1 1 382.432 0.588 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cnn(C)c3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571205438 953037854 /nfs/dbraw/zinc/03/78/54/953037854.db2.gz IMKYJBVMFZXLCL-NSHDSACASA-N -1 1 382.432 0.588 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571205457 953038723 /nfs/dbraw/zinc/03/87/23/953038723.db2.gz JGGNNKKNGCJSEW-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205457 953038727 /nfs/dbraw/zinc/03/87/27/953038727.db2.gz JGGNNKKNGCJSEW-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571205471 953038958 /nfs/dbraw/zinc/03/89/58/953038958.db2.gz JOMRISXSPMCCAW-AAEUAGOBSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571205471 953038961 /nfs/dbraw/zinc/03/89/61/953038961.db2.gz JOMRISXSPMCCAW-AAEUAGOBSA-N -1 1 382.432 0.660 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571205490 953039098 /nfs/dbraw/zinc/03/90/98/953039098.db2.gz KBIWFHAPOPVEBD-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571205490 953039099 /nfs/dbraw/zinc/03/90/99/953039099.db2.gz KBIWFHAPOPVEBD-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM CC[C@@H]1CN(C(=O)c2n[nH]cc2C)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571205601 953040046 /nfs/dbraw/zinc/04/00/46/953040046.db2.gz LMSFJLSKHPZLSC-VXGBXAGGSA-N -1 1 382.432 0.463 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)Cc2cncn2C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571205889 953043079 /nfs/dbraw/zinc/04/30/79/953043079.db2.gz NMZZLKUWTSZXTD-NEPJUHHUSA-N -1 1 382.432 0.106 20 0 GCADMM CCn1nccc1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205859 953043250 /nfs/dbraw/zinc/04/32/50/953043250.db2.gz CESCHDATKXPVSO-LBPRGKRZSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1nccc1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205858 953043616 /nfs/dbraw/zinc/04/36/16/953043616.db2.gz CESCHDATKXPVSO-GFCCVEGCSA-N -1 1 382.432 0.520 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205899 953043706 /nfs/dbraw/zinc/04/37/06/953043706.db2.gz NWPWXCUZVRZEDS-NEPJUHHUSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1n[nH]cc1C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001571205888 953043727 /nfs/dbraw/zinc/04/37/27/953043727.db2.gz NLOKPDBVDLEXQG-NSHDSACASA-N -1 1 382.432 0.731 20 0 GCADMM CCc1n[nH]cc1C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001571205888 953043732 /nfs/dbraw/zinc/04/37/32/953043732.db2.gz NLOKPDBVDLEXQG-NSHDSACASA-N -1 1 382.432 0.731 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205902 953043950 /nfs/dbraw/zinc/04/39/50/953043950.db2.gz NWPWXCUZVRZEDS-VXGBXAGGSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571205886 953043996 /nfs/dbraw/zinc/04/39/96/953043996.db2.gz NKEAYVUJIMFRGN-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571205886 953043999 /nfs/dbraw/zinc/04/39/99/953043999.db2.gz NKEAYVUJIMFRGN-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM CCCc1cc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571205937 953044591 /nfs/dbraw/zinc/04/45/91/953044591.db2.gz OSJFWSDMRIARSA-GFCCVEGCSA-N -1 1 382.432 0.649 20 0 GCADMM CCCc1cc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571205937 953044594 /nfs/dbraw/zinc/04/45/94/953044594.db2.gz OSJFWSDMRIARSA-GFCCVEGCSA-N -1 1 382.432 0.649 20 0 GCADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2c[nH]nc2C)cc(-c2nnn[n-]2)n1 ZINC001571205914 953044696 /nfs/dbraw/zinc/04/46/96/953044696.db2.gz OCJYQFCQONUYCF-LLVKDONJSA-N -1 1 382.432 0.967 20 0 GCADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2c[nH]nc2C)cc(-c2nn[n-]n2)n1 ZINC001571205914 953044699 /nfs/dbraw/zinc/04/46/99/953044699.db2.gz OCJYQFCQONUYCF-LLVKDONJSA-N -1 1 382.432 0.967 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571205917 953044845 /nfs/dbraw/zinc/04/48/45/953044845.db2.gz OIRPCZPKTHUIEY-QMTHXVAHSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571205917 953044846 /nfs/dbraw/zinc/04/48/46/953044846.db2.gz OIRPCZPKTHUIEY-QMTHXVAHSA-N -1 1 382.432 0.525 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205951 953045122 /nfs/dbraw/zinc/04/51/22/953045122.db2.gz OWZNROIAUYURST-BXUZGUMPSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205951 953045124 /nfs/dbraw/zinc/04/51/24/953045124.db2.gz OWZNROIAUYURST-BXUZGUMPSA-N -1 1 382.432 0.282 20 0 GCADMM CC(C)n1cnc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571205978 953045330 /nfs/dbraw/zinc/04/53/30/953045330.db2.gz PUCNBKAHQFSTKK-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM CCn1cc(C(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571206031 953045614 /nfs/dbraw/zinc/04/56/14/953045614.db2.gz RDDYXQABAPCJHI-QGZVFWFLSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1cc(C(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571206031 953045617 /nfs/dbraw/zinc/04/56/17/953045617.db2.gz RDDYXQABAPCJHI-QGZVFWFLSA-N -1 1 382.432 0.837 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205998 953046507 /nfs/dbraw/zinc/04/65/07/953046507.db2.gz QNYQBOAEIKZIJM-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205998 953046510 /nfs/dbraw/zinc/04/65/10/953046510.db2.gz QNYQBOAEIKZIJM-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571206134 953046842 /nfs/dbraw/zinc/04/68/42/953046842.db2.gz DNTWINHZQHIIDN-ZDUSSCGKSA-N -1 1 382.432 0.153 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571206134 953046846 /nfs/dbraw/zinc/04/68/46/953046846.db2.gz DNTWINHZQHIIDN-ZDUSSCGKSA-N -1 1 382.432 0.153 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571206129 953047178 /nfs/dbraw/zinc/04/71/78/953047178.db2.gz DMBKZLRWMVCZGU-UHFFFAOYSA-N -1 1 382.432 0.677 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571206129 953047179 /nfs/dbraw/zinc/04/71/79/953047179.db2.gz DMBKZLRWMVCZGU-UHFFFAOYSA-N -1 1 382.432 0.677 20 0 GCADMM CCc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)n(C)n1 ZINC001571206157 953047725 /nfs/dbraw/zinc/04/77/25/953047725.db2.gz RYMZOEOGPZNEMF-CMPLNLGQSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)n(C)n1 ZINC001571206157 953047726 /nfs/dbraw/zinc/04/77/26/953047726.db2.gz RYMZOEOGPZNEMF-CMPLNLGQSA-N -1 1 382.432 0.668 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571206216 953047868 /nfs/dbraw/zinc/04/78/68/953047868.db2.gz DYMARBXPJGXEGD-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571206216 953047872 /nfs/dbraw/zinc/04/78/72/953047872.db2.gz DYMARBXPJGXEGD-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206212 953048236 /nfs/dbraw/zinc/04/82/36/953048236.db2.gz NCKBBFSZBHYTOH-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206212 953048238 /nfs/dbraw/zinc/04/82/38/953048238.db2.gz NCKBBFSZBHYTOH-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CCCc1n[nH]cc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206171 953048366 /nfs/dbraw/zinc/04/83/66/953048366.db2.gz RYVLZMOYNIYUCO-LLVKDONJSA-N -1 1 382.432 0.471 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001571206186 953048383 /nfs/dbraw/zinc/04/83/83/953048383.db2.gz MWJDNSIBUVAMGV-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001571206186 953048386 /nfs/dbraw/zinc/04/83/86/953048386.db2.gz MWJDNSIBUVAMGV-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206159 953048437 /nfs/dbraw/zinc/04/84/37/953048437.db2.gz DQAAKLXTHRMFBC-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206159 953048438 /nfs/dbraw/zinc/04/84/38/953048438.db2.gz DQAAKLXTHRMFBC-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571206295 953048677 /nfs/dbraw/zinc/04/86/77/953048677.db2.gz STUCWLZQFHURIO-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571206298 953049230 /nfs/dbraw/zinc/04/92/30/953049230.db2.gz STUCWLZQFHURIO-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571206303 953049563 /nfs/dbraw/zinc/04/95/63/953049563.db2.gz FKYNDVWKGDDKCR-VXGBXAGGSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571206303 953049568 /nfs/dbraw/zinc/04/95/68/953049568.db2.gz FKYNDVWKGDDKCR-VXGBXAGGSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571206407 953050866 /nfs/dbraw/zinc/05/08/66/953050866.db2.gz GOWJROKJYUAKGA-KRWDZBQOSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571206407 953050869 /nfs/dbraw/zinc/05/08/69/953050869.db2.gz GOWJROKJYUAKGA-KRWDZBQOSA-N -1 1 382.432 0.580 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CCc2cnn(C)c2)C1 ZINC001571206427 953051317 /nfs/dbraw/zinc/05/13/17/953051317.db2.gz GUXMWEDFOXHHOB-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CCc2cnn(C)c2)C1 ZINC001571206427 953051319 /nfs/dbraw/zinc/05/13/19/953051319.db2.gz GUXMWEDFOXHHOB-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM CN(CC1CCN(C(=O)Cn2ccnc2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571206416 953051402 /nfs/dbraw/zinc/05/14/02/953051402.db2.gz GRVCRIOHQGNBGU-UHFFFAOYSA-N -1 1 382.432 0.228 20 0 GCADMM CN(CC1CCN(C(=O)Cn2ccnc2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571206416 953051404 /nfs/dbraw/zinc/05/14/04/953051404.db2.gz GRVCRIOHQGNBGU-UHFFFAOYSA-N -1 1 382.432 0.228 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)n(C)n1 ZINC001571206512 953052110 /nfs/dbraw/zinc/05/21/10/953052110.db2.gz HSBLCTGUJIVQNB-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571206512 953052113 /nfs/dbraw/zinc/05/21/13/953052113.db2.gz HSBLCTGUJIVQNB-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM CCn1ccnc1C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206498 953052350 /nfs/dbraw/zinc/05/23/50/953052350.db2.gz HNDCULRIHKGCHQ-GFCCVEGCSA-N -1 1 382.432 0.472 20 0 GCADMM CCn1ccnc1C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206498 953052353 /nfs/dbraw/zinc/05/23/53/953052353.db2.gz HNDCULRIHKGCHQ-GFCCVEGCSA-N -1 1 382.432 0.472 20 0 GCADMM CCn1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571206558 953053077 /nfs/dbraw/zinc/05/30/77/953053077.db2.gz IGEUAOJGNOLMPZ-RYUDHWBXSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571206558 953053079 /nfs/dbraw/zinc/05/30/79/953053079.db2.gz IGEUAOJGNOLMPZ-RYUDHWBXSA-N -1 1 382.432 0.884 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571206580 953053084 /nfs/dbraw/zinc/05/30/84/953053084.db2.gz VNTFBODDYTVQGW-LLVKDONJSA-N -1 1 382.432 0.351 20 0 GCADMM CCn1cnc(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571206623 953053256 /nfs/dbraw/zinc/05/32/56/953053256.db2.gz INSIKTIMBCGCTD-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1cnc(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571206623 953053259 /nfs/dbraw/zinc/05/32/59/953053259.db2.gz INSIKTIMBCGCTD-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCc1c(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cnn1C ZINC001571206671 953053705 /nfs/dbraw/zinc/05/37/05/953053705.db2.gz VZIORJWTERWCPE-UHFFFAOYSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1c(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cnn1C ZINC001571206671 953053709 /nfs/dbraw/zinc/05/37/09/953053709.db2.gz VZIORJWTERWCPE-UHFFFAOYSA-N -1 1 382.432 0.351 20 0 GCADMM CCn1nccc1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571206685 953053823 /nfs/dbraw/zinc/05/38/23/953053823.db2.gz IZYFMRSSWYCDCC-UHFFFAOYSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1nccc1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571206685 953053827 /nfs/dbraw/zinc/05/38/27/953053827.db2.gz IZYFMRSSWYCDCC-UHFFFAOYSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206833 953055778 /nfs/dbraw/zinc/05/57/78/953055778.db2.gz XSIFJGQPYIFBJE-NWDGAFQWSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206833 953055781 /nfs/dbraw/zinc/05/57/81/953055781.db2.gz XSIFJGQPYIFBJE-NWDGAFQWSA-N -1 1 382.432 0.282 20 0 GCADMM CCc1nc[nH]c1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571206859 953056109 /nfs/dbraw/zinc/05/61/09/953056109.db2.gz YJOXSZACPPNCGW-UHFFFAOYSA-N -1 1 382.432 0.731 20 0 GCADMM CCc1nc[nH]c1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571206859 953056111 /nfs/dbraw/zinc/05/61/11/953056111.db2.gz YJOXSZACPPNCGW-UHFFFAOYSA-N -1 1 382.432 0.731 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206836 953056361 /nfs/dbraw/zinc/05/63/61/953056361.db2.gz XSIFJGQPYIFBJE-RYUDHWBXSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001571206836 953056366 /nfs/dbraw/zinc/05/63/66/953056366.db2.gz XSIFJGQPYIFBJE-RYUDHWBXSA-N -1 1 382.432 0.282 20 0 GCADMM CCN(C(=O)c1nccn1CC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206816 953056430 /nfs/dbraw/zinc/05/64/30/953056430.db2.gz XQSLKXXRJZYVSP-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCN(C(=O)c1nccn1CC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206816 953056436 /nfs/dbraw/zinc/05/64/36/953056436.db2.gz XQSLKXXRJZYVSP-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206990 953058161 /nfs/dbraw/zinc/05/81/61/953058161.db2.gz YZQZYCWJCFNRAE-TZMCWYRMSA-N -1 1 382.432 0.592 20 0 GCADMM CCn1ccc(C(=O)NC[C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207046 953058715 /nfs/dbraw/zinc/05/87/15/953058715.db2.gz LYPFCVZUCPNEAJ-HAQNSBGRSA-N -1 1 382.432 0.802 20 0 GCADMM CCn1ccc(C(=O)NC[C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207046 953058717 /nfs/dbraw/zinc/05/87/17/953058717.db2.gz LYPFCVZUCPNEAJ-HAQNSBGRSA-N -1 1 382.432 0.802 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)CCc3cn[nH]c3)C[C@H]2C)n1 ZINC001571207131 953060041 /nfs/dbraw/zinc/06/00/41/953060041.db2.gz NLVCPYAEAGRVIM-YGRLFVJLSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)CCc3cn[nH]c3)C[C@H]2C)n1 ZINC001571207131 953060043 /nfs/dbraw/zinc/06/00/43/953060043.db2.gz NLVCPYAEAGRVIM-YGRLFVJLSA-N -1 1 382.432 0.580 20 0 GCADMM CC(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001571207141 953060127 /nfs/dbraw/zinc/06/01/27/953060127.db2.gz WFVPOYBMMLWEQV-XYPYZODXSA-N -1 1 382.432 0.308 20 0 GCADMM CCn1ncc(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)c1C ZINC001571207151 953060163 /nfs/dbraw/zinc/06/01/63/953060163.db2.gz NVIQFWIPPFKEGT-UHFFFAOYSA-N -1 1 382.432 0.452 20 0 GCADMM CCn1ncc(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)c1C ZINC001571207151 953060165 /nfs/dbraw/zinc/06/01/65/953060165.db2.gz NVIQFWIPPFKEGT-UHFFFAOYSA-N -1 1 382.432 0.452 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001571207160 953060252 /nfs/dbraw/zinc/06/02/52/953060252.db2.gz WJYOAWXZPUCFRK-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001571207160 953060255 /nfs/dbraw/zinc/06/02/55/953060255.db2.gz WJYOAWXZPUCFRK-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM CCn1nccc1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207260 953060751 /nfs/dbraw/zinc/06/07/51/953060751.db2.gz PDXHBMWMLPPMEJ-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1nccc1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207260 953060752 /nfs/dbraw/zinc/06/07/52/953060752.db2.gz PDXHBMWMLPPMEJ-GFCCVEGCSA-N -1 1 382.432 0.898 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571207250 953061174 /nfs/dbraw/zinc/06/11/74/953061174.db2.gz PAUXUNTVCCEXEI-GFCCVEGCSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207250 953061178 /nfs/dbraw/zinc/06/11/78/953061178.db2.gz PAUXUNTVCCEXEI-GFCCVEGCSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571207267 953061196 /nfs/dbraw/zinc/06/11/96/953061196.db2.gz PHZJWJUNUMVERB-GFCCVEGCSA-N -1 1 382.432 0.581 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571207323 953061625 /nfs/dbraw/zinc/06/16/25/953061625.db2.gz QUXSGHBRMHZYSC-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571207323 953061626 /nfs/dbraw/zinc/06/16/26/953061626.db2.gz QUXSGHBRMHZYSC-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207293 953062099 /nfs/dbraw/zinc/06/20/99/953062099.db2.gz PRDRTGKXNJBXLE-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207293 953062103 /nfs/dbraw/zinc/06/21/03/953062103.db2.gz PRDRTGKXNJBXLE-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM CCn1cc(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571207427 953062891 /nfs/dbraw/zinc/06/28/91/953062891.db2.gz RMAXQUWLZJNCMU-GFCCVEGCSA-N -1 1 382.432 0.438 20 0 GCADMM CCn1cc(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571207427 953062894 /nfs/dbraw/zinc/06/28/94/953062894.db2.gz RMAXQUWLZJNCMU-GFCCVEGCSA-N -1 1 382.432 0.438 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571207414 953062975 /nfs/dbraw/zinc/06/29/75/953062975.db2.gz RBPNHJUOUYNTOC-UHFFFAOYSA-N -1 1 382.432 0.724 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571207496 953063361 /nfs/dbraw/zinc/06/33/61/953063361.db2.gz UNBZHLQAKGSFKD-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571207496 953063364 /nfs/dbraw/zinc/06/33/64/953063364.db2.gz UNBZHLQAKGSFKD-NEPJUHHUSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571207476 953063719 /nfs/dbraw/zinc/06/37/19/953063719.db2.gz SWTLEMCLNDKMJP-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571207476 953063723 /nfs/dbraw/zinc/06/37/23/953063723.db2.gz SWTLEMCLNDKMJP-VXGBXAGGSA-N -1 1 382.432 0.519 20 0 GCADMM CN(CC1CCN(C(=O)c2ccn(C)n2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571207491 953063742 /nfs/dbraw/zinc/06/37/42/953063742.db2.gz UMZFFFGIFIVWJY-UHFFFAOYSA-N -1 1 382.432 0.379 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571207438 953063804 /nfs/dbraw/zinc/06/38/04/953063804.db2.gz RPDJDOXNAHMYPQ-RYUDHWBXSA-N -1 1 382.432 0.258 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571207480 953063928 /nfs/dbraw/zinc/06/39/28/953063928.db2.gz TVKPVESBLSISPQ-UHFFFAOYSA-N -1 1 382.432 0.003 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H](C)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207586 953064622 /nfs/dbraw/zinc/06/46/22/953064622.db2.gz XLZFIOIAUDOBTJ-NEPJUHHUSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H](C)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207586 953064625 /nfs/dbraw/zinc/06/46/25/953064625.db2.gz XLZFIOIAUDOBTJ-NEPJUHHUSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1c(C(=O)NC2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cnn1C ZINC001571207644 953065388 /nfs/dbraw/zinc/06/53/88/953065388.db2.gz YYWKTPVQISKPFH-UHFFFAOYSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)c3cncn3C)CC2)n1 ZINC001571207673 953066190 /nfs/dbraw/zinc/06/61/90/953066190.db2.gz ZOMLQDGBSMVOHQ-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)c3cncn3C)CC2)n1 ZINC001571207673 953066191 /nfs/dbraw/zinc/06/61/91/953066191.db2.gz ZOMLQDGBSMVOHQ-UHFFFAOYSA-N -1 1 382.432 0.440 20 0 GCADMM O=C(Cc1cc[nH]n1)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571209727 953066799 /nfs/dbraw/zinc/06/67/99/953066799.db2.gz BYERGFDGIMLQSE-CYBMUJFWSA-N -1 1 382.432 0.228 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571209969 953069422 /nfs/dbraw/zinc/06/94/22/953069422.db2.gz KFCWOPZKTPMPDS-ZDUSSCGKSA-N -1 1 382.432 0.663 20 0 GCADMM O=C(CCc1cn[nH]c1)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571209969 953069425 /nfs/dbraw/zinc/06/94/25/953069425.db2.gz KFCWOPZKTPMPDS-ZDUSSCGKSA-N -1 1 382.432 0.663 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2CCC(S(C)(=O)=O)CC2)n1 ZINC001571210027 953070592 /nfs/dbraw/zinc/07/05/92/953070592.db2.gz LYMKKPBYMLCXLZ-UHFFFAOYSA-N -1 1 382.450 0.325 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2CCC(S(C)(=O)=O)CC2)n1 ZINC001571210027 953070596 /nfs/dbraw/zinc/07/05/96/953070596.db2.gz LYMKKPBYMLCXLZ-UHFFFAOYSA-N -1 1 382.450 0.325 20 0 GCADMM O=C(CCn1cccn1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571210030 953070741 /nfs/dbraw/zinc/07/07/41/953070741.db2.gz MARFSNQBMPMXRK-ZDUSSCGKSA-N -1 1 382.432 0.737 20 0 GCADMM O=C(CCn1cccn1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571210030 953070745 /nfs/dbraw/zinc/07/07/45/953070745.db2.gz MARFSNQBMPMXRK-ZDUSSCGKSA-N -1 1 382.432 0.737 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571211457 953076267 /nfs/dbraw/zinc/07/62/67/953076267.db2.gz BEOOAWLDPCRZPY-GFCCVEGCSA-N -1 1 382.432 0.745 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571211457 953076271 /nfs/dbraw/zinc/07/62/71/953076271.db2.gz BEOOAWLDPCRZPY-GFCCVEGCSA-N -1 1 382.432 0.745 20 0 GCADMM Cn1cncc1CC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571211425 953076346 /nfs/dbraw/zinc/07/63/46/953076346.db2.gz ALPKSIZZABGQDH-GFCCVEGCSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cncc1CC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571211425 953076349 /nfs/dbraw/zinc/07/63/49/953076349.db2.gz ALPKSIZZABGQDH-GFCCVEGCSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1nn(C)cc1CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211451 953076637 /nfs/dbraw/zinc/07/66/37/953076637.db2.gz BCKMUGBWGVGLAJ-UHFFFAOYSA-N -1 1 382.432 0.248 20 0 GCADMM Cc1nn(C)cc1CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211451 953076640 /nfs/dbraw/zinc/07/66/40/953076640.db2.gz BCKMUGBWGVGLAJ-UHFFFAOYSA-N -1 1 382.432 0.248 20 0 GCADMM Cn1cncc1C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571211407 953076718 /nfs/dbraw/zinc/07/67/18/953076718.db2.gz AADIWVUDHXXMRS-LBPRGKRZSA-N -1 1 382.432 0.887 20 0 GCADMM Cn1cncc1C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571211407 953076721 /nfs/dbraw/zinc/07/67/21/953076721.db2.gz AADIWVUDHXXMRS-LBPRGKRZSA-N -1 1 382.432 0.887 20 0 GCADMM Cc1nn(C(C)C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211474 953077057 /nfs/dbraw/zinc/07/70/57/953077057.db2.gz BIUVSMHMJVOMJL-LBPRGKRZSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1nn(C(C)C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211474 953077058 /nfs/dbraw/zinc/07/70/58/953077058.db2.gz BIUVSMHMJVOMJL-LBPRGKRZSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001571211503 953077756 /nfs/dbraw/zinc/07/77/56/953077756.db2.gz BYSHCWKVBVMIJA-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)n(C)n1 ZINC001571211666 953079305 /nfs/dbraw/zinc/07/93/05/953079305.db2.gz FDWVSSJDTJGUCH-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)n(C)n1 ZINC001571211666 953079310 /nfs/dbraw/zinc/07/93/10/953079310.db2.gz FDWVSSJDTJGUCH-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)n1C ZINC001571211661 953079450 /nfs/dbraw/zinc/07/94/50/953079450.db2.gz FCNWPWTXIFOORG-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)n1C ZINC001571211661 953079454 /nfs/dbraw/zinc/07/94/54/953079454.db2.gz FCNWPWTXIFOORG-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM O=C1C[C@]2(NS(=O)(=O)Cc3csc(-c4nn[n-]n4)c3)CCCC[C@@H]2N1 ZINC001571211772 953080531 /nfs/dbraw/zinc/08/05/31/953080531.db2.gz FZUUWKOGNLHSEV-SMDDNHRTSA-N -1 1 382.471 0.549 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1C ZINC001571211836 953081944 /nfs/dbraw/zinc/08/19/44/953081944.db2.gz HBGJUUPCRBAGSW-CMPLNLGQSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)n1C ZINC001571211950 953082403 /nfs/dbraw/zinc/08/24/03/953082403.db2.gz IWGKFZOEJXMWJY-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)n1C ZINC001571211950 953082406 /nfs/dbraw/zinc/08/24/06/953082406.db2.gz IWGKFZOEJXMWJY-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212112 953083897 /nfs/dbraw/zinc/08/38/97/953083897.db2.gz JAARREQSRQXZOA-GFCCVEGCSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212177 953085430 /nfs/dbraw/zinc/08/54/30/953085430.db2.gz KMLTUBWCHBDHAL-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212177 953085433 /nfs/dbraw/zinc/08/54/33/953085433.db2.gz KMLTUBWCHBDHAL-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571212365 953087250 /nfs/dbraw/zinc/08/72/50/953087250.db2.gz MQEKCCWDWJKNLI-QGZVFWFLSA-N -1 1 382.432 0.961 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212342 953087395 /nfs/dbraw/zinc/08/73/95/953087395.db2.gz MBDMBYYUPXHRLE-QMTHXVAHSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212342 953087399 /nfs/dbraw/zinc/08/73/99/953087399.db2.gz MBDMBYYUPXHRLE-QMTHXVAHSA-N -1 1 382.432 0.200 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212828 953090220 /nfs/dbraw/zinc/09/02/20/953090220.db2.gz PLNLDAHOEBEXAE-GFCCVEGCSA-N -1 1 382.432 0.227 20 0 GCADMM Cc1cnn(CC(=O)N2C[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)c1 ZINC001571212785 953090890 /nfs/dbraw/zinc/09/08/90/953090890.db2.gz PCOBZFFSBTYWHP-CHWSQXEVSA-N -1 1 382.432 0.368 20 0 GCADMM Cc1cnn(CC(=O)N2C[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)c1 ZINC001571212785 953090893 /nfs/dbraw/zinc/09/08/93/953090893.db2.gz PCOBZFFSBTYWHP-CHWSQXEVSA-N -1 1 382.432 0.368 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571213055 953092289 /nfs/dbraw/zinc/09/22/89/953092289.db2.gz QEZILWVFPVCRGG-VXGBXAGGSA-N -1 1 382.432 0.791 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571213055 953092291 /nfs/dbraw/zinc/09/22/91/953092291.db2.gz QEZILWVFPVCRGG-VXGBXAGGSA-N -1 1 382.432 0.791 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571213101 953092500 /nfs/dbraw/zinc/09/25/00/953092500.db2.gz QSYLHWDOHHRYNC-NWDGAFQWSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571213101 953092505 /nfs/dbraw/zinc/09/25/05/953092505.db2.gz QSYLHWDOHHRYNC-NWDGAFQWSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cc(C(=O)N[C@H](C)[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571213417 953094019 /nfs/dbraw/zinc/09/40/19/953094019.db2.gz SMNVRIDHDYANGN-NEPJUHHUSA-N -1 1 382.432 0.723 20 0 GCADMM Cn1ccc(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)n1 ZINC001571213422 953094289 /nfs/dbraw/zinc/09/42/89/953094289.db2.gz SMQVFPWDUXCQDW-LBPRGKRZSA-N -1 1 382.432 0.569 20 0 GCADMM Cn1ccc(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)n1 ZINC001571213422 953094295 /nfs/dbraw/zinc/09/42/95/953094295.db2.gz SMQVFPWDUXCQDW-LBPRGKRZSA-N -1 1 382.432 0.569 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571213457 953095140 /nfs/dbraw/zinc/09/51/40/953095140.db2.gz UHZBIQJTBFVVPT-NSHDSACASA-N -1 1 382.432 0.343 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571213457 953095142 /nfs/dbraw/zinc/09/51/42/953095142.db2.gz UHZBIQJTBFVVPT-NSHDSACASA-N -1 1 382.432 0.343 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571213449 953095195 /nfs/dbraw/zinc/09/51/95/953095195.db2.gz TYTBNQLPWRSYNP-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571213449 953095200 /nfs/dbraw/zinc/09/52/00/953095200.db2.gz TYTBNQLPWRSYNP-LBPRGKRZSA-N -1 1 382.432 0.440 20 0 GCADMM Cn1cncc1CCC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571213442 953095532 /nfs/dbraw/zinc/09/55/32/953095532.db2.gz TVMFOZFNOBBLNW-ZDUSSCGKSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cncc1CCC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571213442 953095538 /nfs/dbraw/zinc/09/55/38/953095538.db2.gz TVMFOZFNOBBLNW-ZDUSSCGKSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cncc1CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571213501 953095590 /nfs/dbraw/zinc/09/55/90/953095590.db2.gz VDWNXULSDCUKGL-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1cncc1CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571213501 953095593 /nfs/dbraw/zinc/09/55/93/953095593.db2.gz VDWNXULSDCUKGL-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571213444 953095713 /nfs/dbraw/zinc/09/57/13/953095713.db2.gz TXOXCQJQTQJMET-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571213444 953095718 /nfs/dbraw/zinc/09/57/18/953095718.db2.gz TXOXCQJQTQJMET-CMPLNLGQSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571213439 953095952 /nfs/dbraw/zinc/09/59/52/953095952.db2.gz SWZDBHYQJUDMNE-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571213439 953095957 /nfs/dbraw/zinc/09/59/57/953095957.db2.gz SWZDBHYQJUDMNE-ZYHUDNBSSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571213766 953097209 /nfs/dbraw/zinc/09/72/09/953097209.db2.gz VLUUVSWYUKXAJR-ZDUSSCGKSA-N -1 1 382.432 0.255 20 0 GCADMM Cc1cc(C)n(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571213766 953097216 /nfs/dbraw/zinc/09/72/16/953097216.db2.gz VLUUVSWYUKXAJR-ZDUSSCGKSA-N -1 1 382.432 0.255 20 0 GCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571213777 953097365 /nfs/dbraw/zinc/09/73/65/953097365.db2.gz VPDFSSJGTAMCLR-JOYOIKCWSA-N -1 1 382.432 0.235 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571213862 953098554 /nfs/dbraw/zinc/09/85/54/953098554.db2.gz XXKSZJTVGOWGHW-GWCFXTLKSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571213862 953098559 /nfs/dbraw/zinc/09/85/59/953098559.db2.gz XXKSZJTVGOWGHW-GWCFXTLKSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571214169 953100676 /nfs/dbraw/zinc/10/06/76/953100676.db2.gz YUGCMHLKYPIMGA-RYUDHWBXSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571214169 953100680 /nfs/dbraw/zinc/10/06/80/953100680.db2.gz YUGCMHLKYPIMGA-RYUDHWBXSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1C ZINC001571214158 953100776 /nfs/dbraw/zinc/10/07/76/953100776.db2.gz YQINXURBIOUJOH-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1nc(C)c(C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)[nH]1 ZINC001571214225 953100844 /nfs/dbraw/zinc/10/08/44/953100844.db2.gz ZLLKIEWMDQZCDI-UHFFFAOYSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1nc(C)c(C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)[nH]1 ZINC001571214225 953100847 /nfs/dbraw/zinc/10/08/47/953100847.db2.gz ZLLKIEWMDQZCDI-UHFFFAOYSA-N -1 1 382.432 0.786 20 0 GCADMM C[C@@H](C(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001571217642 953110083 /nfs/dbraw/zinc/11/00/83/953110083.db2.gz GQPSZRUKIOYSPL-XXFAHNHDSA-N -1 1 383.372 0.613 20 0 GCADMM Cc1ccc2c(c1)[C@@H](NC(=O)CCn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)CO2 ZINC001571218435 953115293 /nfs/dbraw/zinc/11/52/93/953115293.db2.gz NOGBGXFITSUPDS-LBPRGKRZSA-N -1 1 383.368 0.077 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](N(C)C(=O)c3ncccc3F)C2)n1 ZINC001571218611 953117457 /nfs/dbraw/zinc/11/74/57/953117457.db2.gz CHEXMQSCCNQAQO-NSHDSACASA-N -1 1 383.391 0.850 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N(C)C(=O)c3ncccc3F)C2)n1 ZINC001571218611 953117462 /nfs/dbraw/zinc/11/74/62/953117462.db2.gz CHEXMQSCCNQAQO-NSHDSACASA-N -1 1 383.391 0.850 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2ccncc2F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571218714 953118009 /nfs/dbraw/zinc/11/80/09/953118009.db2.gz ZNDBGALEXQAZPO-GHMZBOCLSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2ccncc2F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571218714 953118012 /nfs/dbraw/zinc/11/80/12/953118012.db2.gz ZNDBGALEXQAZPO-GHMZBOCLSA-N -1 1 383.391 0.978 20 0 GCADMM O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cncc(F)c1 ZINC001571219171 953123087 /nfs/dbraw/zinc/12/30/87/953123087.db2.gz LBOUGSSENYZZNQ-GXFFZTMASA-N -1 1 383.391 0.623 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC001571219146 953123245 /nfs/dbraw/zinc/12/32/45/953123245.db2.gz KIPYIJKHLCIBQY-CYBMUJFWSA-N -1 1 383.391 0.932 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC001571219146 953123247 /nfs/dbraw/zinc/12/32/47/953123247.db2.gz KIPYIJKHLCIBQY-CYBMUJFWSA-N -1 1 383.391 0.932 20 0 GCADMM O=C(Cc1ncccc1F)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219156 953123441 /nfs/dbraw/zinc/12/34/41/953123441.db2.gz KOQZMIPXBXMMEP-NSHDSACASA-N -1 1 383.391 0.519 20 0 GCADMM O=C(Cc1ncccc1F)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219156 953123443 /nfs/dbraw/zinc/12/34/43/953123443.db2.gz KOQZMIPXBXMMEP-NSHDSACASA-N -1 1 383.391 0.519 20 0 GCADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1coc(C(N)=O)c1 ZINC001571219334 953125314 /nfs/dbraw/zinc/12/53/14/953125314.db2.gz XOFQGWQHTIGXBL-WCBMZHEXSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1coc(C(N)=O)c1 ZINC001571219334 953125317 /nfs/dbraw/zinc/12/53/17/953125317.db2.gz XOFQGWQHTIGXBL-WCBMZHEXSA-N -1 1 383.372 0.064 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)c3cc(C)no3)C2)n1 ZINC001571222024 953129674 /nfs/dbraw/zinc/12/96/74/953129674.db2.gz ADQIEHHBRPOWOR-LLVKDONJSA-N -1 1 383.416 0.866 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)c3cc(C)no3)C2)n1 ZINC001571222024 953129679 /nfs/dbraw/zinc/12/96/79/953129679.db2.gz ADQIEHHBRPOWOR-LLVKDONJSA-N -1 1 383.416 0.866 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)no1 ZINC001571222040 953130400 /nfs/dbraw/zinc/13/04/00/953130400.db2.gz ALBYKGJVPYDTFH-CMPLNLGQSA-N -1 1 383.416 0.592 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571222110 953131290 /nfs/dbraw/zinc/13/12/90/953131290.db2.gz CLZLQUKTRVHSOG-DGCLKSJQSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571222110 953131293 /nfs/dbraw/zinc/13/12/93/953131293.db2.gz CLZLQUKTRVHSOG-DGCLKSJQSA-N -1 1 383.416 0.784 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2CNC(=O)c2cc[nH]c2)n1 ZINC001571222149 953131562 /nfs/dbraw/zinc/13/15/62/953131562.db2.gz DDLOTDLNNNULSW-GFCCVEGCSA-N -1 1 383.416 0.182 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2CNC(=O)c2cc[nH]c2)n1 ZINC001571222149 953131565 /nfs/dbraw/zinc/13/15/65/953131565.db2.gz DDLOTDLNNNULSW-GFCCVEGCSA-N -1 1 383.416 0.182 20 0 GCADMM CCc1ocnc1C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571222261 953132416 /nfs/dbraw/zinc/13/24/16/953132416.db2.gz BSXGRFRXOKUZAM-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1ocnc1C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571222261 953132421 /nfs/dbraw/zinc/13/24/21/953132421.db2.gz BSXGRFRXOKUZAM-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571222411 953134185 /nfs/dbraw/zinc/13/41/85/953134185.db2.gz HYGHJCAZYHIMAW-KOLCDFICSA-N -1 1 383.416 0.510 20 0 GCADMM CCc1ncoc1C(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222489 953135223 /nfs/dbraw/zinc/13/52/23/953135223.db2.gz GNWVKJROEIZABT-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1ncoc1C(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222489 953135225 /nfs/dbraw/zinc/13/52/25/953135225.db2.gz GNWVKJROEIZABT-LLVKDONJSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571222619 953136543 /nfs/dbraw/zinc/13/65/43/953136543.db2.gz HXQYYCLYYZGWKT-ZWNOBZJWSA-N -1 1 383.416 0.709 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571222619 953136548 /nfs/dbraw/zinc/13/65/48/953136548.db2.gz HXQYYCLYYZGWKT-ZWNOBZJWSA-N -1 1 383.416 0.709 20 0 GCADMM CCc1nc(N[C@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571222616 953136808 /nfs/dbraw/zinc/13/68/08/953136808.db2.gz HXQYYCLYYZGWKT-MFKMUULPSA-N -1 1 383.416 0.709 20 0 GCADMM CCc1nc(N[C@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571222616 953136809 /nfs/dbraw/zinc/13/68/09/953136809.db2.gz HXQYYCLYYZGWKT-MFKMUULPSA-N -1 1 383.416 0.709 20 0 GCADMM CCc1noc(C)c1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571222687 953137574 /nfs/dbraw/zinc/13/75/74/953137574.db2.gz JFRGFCSUTLBNGU-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM Cc1[nH]ccc1C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222703 953137775 /nfs/dbraw/zinc/13/77/75/953137775.db2.gz JQMHZCPVOKYUNN-GFCCVEGCSA-N -1 1 383.416 0.636 20 0 GCADMM Cc1[nH]ccc1C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222703 953137777 /nfs/dbraw/zinc/13/77/77/953137777.db2.gz JQMHZCPVOKYUNN-GFCCVEGCSA-N -1 1 383.416 0.636 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222705 953138001 /nfs/dbraw/zinc/13/80/01/953138001.db2.gz JRTDNEPDUZPYNV-LLVKDONJSA-N -1 1 383.416 0.806 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222705 953138003 /nfs/dbraw/zinc/13/80/03/953138003.db2.gz JRTDNEPDUZPYNV-LLVKDONJSA-N -1 1 383.416 0.806 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(=O)c3cc(C)no3)C2)n1 ZINC001571222909 953140710 /nfs/dbraw/zinc/14/07/10/953140710.db2.gz NEUKFEUIPNKSTO-KRWDZBQOSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(=O)c3cc(C)no3)C2)n1 ZINC001571222909 953140712 /nfs/dbraw/zinc/14/07/12/953140712.db2.gz NEUKFEUIPNKSTO-KRWDZBQOSA-N -1 1 383.416 0.914 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccon2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571223370 953143156 /nfs/dbraw/zinc/14/31/56/953143156.db2.gz QEWZENSYAGYMJL-WCQYABFASA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccon2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571223370 953143158 /nfs/dbraw/zinc/14/31/58/953143158.db2.gz QEWZENSYAGYMJL-WCQYABFASA-N -1 1 383.416 0.926 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571223307 953143400 /nfs/dbraw/zinc/14/34/00/953143400.db2.gz STVGLDTWDRYYPS-NSHDSACASA-N -1 1 383.416 0.593 20 0 GCADMM CC[C@@H](C)NC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001571223427 953143881 /nfs/dbraw/zinc/14/38/81/953143881.db2.gz RBVHWYBHHDFORI-LLVKDONJSA-N -1 1 383.416 0.303 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571223444 953144131 /nfs/dbraw/zinc/14/41/31/953144131.db2.gz RCFBLYLJXJYBHE-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571223444 953144135 /nfs/dbraw/zinc/14/41/35/953144135.db2.gz RCFBLYLJXJYBHE-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571223416 953144267 /nfs/dbraw/zinc/14/42/67/953144267.db2.gz QZDWQJZUPRRROL-AAEUAGOBSA-N -1 1 383.416 0.348 20 0 GCADMM CC(C)c1cc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571223456 953144417 /nfs/dbraw/zinc/14/44/17/953144417.db2.gz REMJWVFNPOJCNQ-UHFFFAOYSA-N -1 1 383.416 0.811 20 0 GCADMM CCc1ocnc1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571223572 953145312 /nfs/dbraw/zinc/14/53/12/953145312.db2.gz VTSUABNYAHXFQP-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ocnc1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571223572 953145314 /nfs/dbraw/zinc/14/53/14/953145314.db2.gz VTSUABNYAHXFQP-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)Cc3cnoc3)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571223531 953145470 /nfs/dbraw/zinc/14/54/70/953145470.db2.gz UIXIJHREPALKOB-PWSUYJOCSA-N -1 1 383.416 0.851 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)Cc3cnoc3)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571223531 953145473 /nfs/dbraw/zinc/14/54/73/953145473.db2.gz UIXIJHREPALKOB-PWSUYJOCSA-N -1 1 383.416 0.851 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571223777 953147110 /nfs/dbraw/zinc/14/71/10/953147110.db2.gz VGTCEUKLRYMQIC-QWRGUYRKSA-N -1 1 383.416 0.782 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)Cc2cnoc2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571223892 953147743 /nfs/dbraw/zinc/14/77/43/953147743.db2.gz ZKKVWSZQWKMUNX-LBPRGKRZSA-N -1 1 383.416 0.562 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)Cc2cnoc2)CC1 ZINC001571223986 953148609 /nfs/dbraw/zinc/14/86/09/953148609.db2.gz WSGNPONVVUWTMZ-LLVKDONJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)Cc2cnoc2)CC1 ZINC001571223986 953148612 /nfs/dbraw/zinc/14/86/12/953148612.db2.gz WSGNPONVVUWTMZ-LLVKDONJSA-N -1 1 383.416 0.926 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@H](C)C2)co1 ZINC001571224091 953148839 /nfs/dbraw/zinc/14/88/39/953148839.db2.gz XYIVBIGQIWHTQF-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@H](C)C2)co1 ZINC001571224091 953148841 /nfs/dbraw/zinc/14/88/41/953148841.db2.gz XYIVBIGQIWHTQF-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[n-]n4)n3)CC2)no1 ZINC001571224154 953149135 /nfs/dbraw/zinc/14/91/35/953149135.db2.gz ZOBNTEGAPCXZFR-UHFFFAOYSA-N -1 1 383.416 0.736 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571224119 953149246 /nfs/dbraw/zinc/14/92/46/953149246.db2.gz YNWOIZAGLPJHNP-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571224119 953149248 /nfs/dbraw/zinc/14/92/48/953149248.db2.gz YNWOIZAGLPJHNP-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](C)(NC(=O)c3coc(C)n3)C2)n1 ZINC001571224162 953149612 /nfs/dbraw/zinc/14/96/12/953149612.db2.gz ZUADNJKKDYUZSR-QGZVFWFLSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](C)(NC(=O)c3coc(C)n3)C2)n1 ZINC001571224162 953149614 /nfs/dbraw/zinc/14/96/14/953149614.db2.gz ZUADNJKKDYUZSR-QGZVFWFLSA-N -1 1 383.416 0.914 20 0 GCADMM Cc1cc(C(=O)NCC2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)on1 ZINC001571224730 953150497 /nfs/dbraw/zinc/15/04/97/953150497.db2.gz FGLFPFHKPIOURP-UHFFFAOYSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1cc(C(=O)NCC2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)on1 ZINC001571224730 953150501 /nfs/dbraw/zinc/15/05/01/953150501.db2.gz FGLFPFHKPIOURP-UHFFFAOYSA-N -1 1 383.416 0.908 20 0 GCADMM Cc1cc(CCC(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001571224948 953152174 /nfs/dbraw/zinc/15/21/74/953152174.db2.gz HCLFIXQJCUKCGP-GFCCVEGCSA-N -1 1 383.416 0.268 20 0 GCADMM Cc1conc1C(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571225149 953152197 /nfs/dbraw/zinc/15/21/97/953152197.db2.gz HVKXAXCSHLPUFQ-VXGBXAGGSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1conc1C(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571225149 953152198 /nfs/dbraw/zinc/15/21/98/953152198.db2.gz HVKXAXCSHLPUFQ-VXGBXAGGSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(C)c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571225249 953152720 /nfs/dbraw/zinc/15/27/20/953152720.db2.gz IWBCGZKGQGRQGF-LBPRGKRZSA-N -1 1 383.416 0.555 20 0 GCADMM Cc1cc(C)c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571225249 953152723 /nfs/dbraw/zinc/15/27/23/953152723.db2.gz IWBCGZKGQGRQGF-LBPRGKRZSA-N -1 1 383.416 0.555 20 0 GCADMM Cc1noc(C)c1C(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571225599 953153586 /nfs/dbraw/zinc/15/35/86/953153586.db2.gz KYEOPMMYGQVLOD-GFCCVEGCSA-N -1 1 383.416 0.921 20 0 GCADMM Cc1noc(C)c1C(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571225599 953153589 /nfs/dbraw/zinc/15/35/89/953153589.db2.gz KYEOPMMYGQVLOD-GFCCVEGCSA-N -1 1 383.416 0.921 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)CCc2ccon2)n1 ZINC001571225651 953153611 /nfs/dbraw/zinc/15/36/11/953153611.db2.gz MJDCSHWZCPTDQZ-ZDUSSCGKSA-N -1 1 383.416 0.989 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)CCc2ccon2)n1 ZINC001571225651 953153615 /nfs/dbraw/zinc/15/36/15/953153615.db2.gz MJDCSHWZCPTDQZ-ZDUSSCGKSA-N -1 1 383.416 0.989 20 0 GCADMM Cc1ncc(CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001571225643 953153656 /nfs/dbraw/zinc/15/36/56/953153656.db2.gz MBJUWQQWMOYXAB-LBPRGKRZSA-N -1 1 383.416 0.989 20 0 GCADMM Cc1ncc(CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001571225643 953153657 /nfs/dbraw/zinc/15/36/57/953153657.db2.gz MBJUWQQWMOYXAB-LBPRGKRZSA-N -1 1 383.416 0.989 20 0 GCADMM Cc1nc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571225675 953154727 /nfs/dbraw/zinc/15/47/27/953154727.db2.gz NGMNHWHYIZQMOS-SKDRFNHKSA-N -1 1 383.416 0.504 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)no1 ZINC001571225896 953154794 /nfs/dbraw/zinc/15/47/94/953154794.db2.gz OBIXPXXPEWTNFL-AAEUAGOBSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)no1 ZINC001571225896 953154798 /nfs/dbraw/zinc/15/47/98/953154798.db2.gz OBIXPXXPEWTNFL-AAEUAGOBSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571226425 953155022 /nfs/dbraw/zinc/15/50/22/953155022.db2.gz QOCLKJODQBCUNG-CYBMUJFWSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1cc(CC(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571226425 953155024 /nfs/dbraw/zinc/15/50/24/953155024.db2.gz QOCLKJODQBCUNG-CYBMUJFWSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1noc(C)c1[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226429 953155493 /nfs/dbraw/zinc/15/54/93/953155493.db2.gz QPBDWSRPLXWDOA-CABZTGNLSA-N -1 1 383.416 0.760 20 0 GCADMM Cc1noc(C)c1[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226429 953155495 /nfs/dbraw/zinc/15/54/95/953155495.db2.gz QPBDWSRPLXWDOA-CABZTGNLSA-N -1 1 383.416 0.760 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)NCc3ncc(C)cn3)CC2)o1 ZINC001571226631 953156718 /nfs/dbraw/zinc/15/67/18/953156718.db2.gz UGIFQQDLXFYXFO-UHFFFAOYSA-N -1 1 383.416 0.794 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)no1 ZINC001571226685 953156905 /nfs/dbraw/zinc/15/69/05/953156905.db2.gz WAJKIMFARSWFAL-CMPLNLGQSA-N -1 1 383.416 0.409 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571226937 953157787 /nfs/dbraw/zinc/15/77/87/953157787.db2.gz XIMYFUZRRKBUGZ-GFCCVEGCSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571226937 953157790 /nfs/dbraw/zinc/15/77/90/953157790.db2.gz XIMYFUZRRKBUGZ-GFCCVEGCSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1cnoc1C(=O)N[C@H](C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571227101 953158080 /nfs/dbraw/zinc/15/80/80/953158080.db2.gz YPKLOYGLPWQGMC-NEPJUHHUSA-N -1 1 383.416 0.988 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001571227741 953158715 /nfs/dbraw/zinc/15/87/15/953158715.db2.gz AZCVFMZANZFMPX-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001571227741 953158718 /nfs/dbraw/zinc/15/87/18/953158718.db2.gz AZCVFMZANZFMPX-RYUDHWBXSA-N -1 1 383.420 0.160 20 0 GCADMM CCn1nncc1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571227771 953159740 /nfs/dbraw/zinc/15/97/40/953159740.db2.gz BRETVGJSDGZRII-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM CCn1nncc1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571227771 953159742 /nfs/dbraw/zinc/15/97/42/953159742.db2.gz BRETVGJSDGZRII-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CC[C@@H](C)N(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571227781 953159758 /nfs/dbraw/zinc/15/97/58/953159758.db2.gz BXJRWNMPPFSBLP-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CC[C@@H](C)N(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571227781 953159762 /nfs/dbraw/zinc/15/97/62/953159762.db2.gz BXJRWNMPPFSBLP-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227797 953160041 /nfs/dbraw/zinc/16/00/41/953160041.db2.gz CHYSUMRGWZWDTJ-GHMZBOCLSA-N -1 1 383.420 0.057 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cn(CC)nn2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571228139 953162657 /nfs/dbraw/zinc/16/26/57/953162657.db2.gz JDRFKKRCLXOKSE-CMPLNLGQSA-N -1 1 383.420 0.055 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cn(CC)nn2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571228139 953162659 /nfs/dbraw/zinc/16/26/59/953162659.db2.gz JDRFKKRCLXOKSE-CMPLNLGQSA-N -1 1 383.420 0.055 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228257 953162983 /nfs/dbraw/zinc/16/29/83/953162983.db2.gz LWXYJIYMZJGJEJ-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228257 953162986 /nfs/dbraw/zinc/16/29/86/953162986.db2.gz LWXYJIYMZJGJEJ-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001571228222 953163331 /nfs/dbraw/zinc/16/33/31/953163331.db2.gz LCILAVROQMESFE-VXGBXAGGSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001571228222 953163333 /nfs/dbraw/zinc/16/33/33/953163333.db2.gz LCILAVROQMESFE-VXGBXAGGSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571228293 953163588 /nfs/dbraw/zinc/16/35/88/953163588.db2.gz MXGKFTDJYYTGNU-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571228293 953163591 /nfs/dbraw/zinc/16/35/91/953163591.db2.gz MXGKFTDJYYTGNU-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM CCn1nc(C)c(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571228337 953163932 /nfs/dbraw/zinc/16/39/32/953163932.db2.gz NHNHCNBLEXXDEB-XYPYZODXSA-N -1 1 383.420 0.197 20 0 GCADMM CCn1nc(C)c(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571228337 953163934 /nfs/dbraw/zinc/16/39/34/953163934.db2.gz NHNHCNBLEXXDEB-XYPYZODXSA-N -1 1 383.420 0.197 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571228496 953164288 /nfs/dbraw/zinc/16/42/88/953164288.db2.gz PTPPTVOOXSVSIG-QWRGUYRKSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571228496 953164289 /nfs/dbraw/zinc/16/42/89/953164289.db2.gz PTPPTVOOXSVSIG-QWRGUYRKSA-N -1 1 383.420 0.279 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571228570 953165498 /nfs/dbraw/zinc/16/54/98/953165498.db2.gz SDJGGNYSVJFEOA-LLVKDONJSA-N -1 1 383.420 0.375 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571228570 953165499 /nfs/dbraw/zinc/16/54/99/953165499.db2.gz SDJGGNYSVJFEOA-LLVKDONJSA-N -1 1 383.420 0.375 20 0 GCADMM Cn1cccc1C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228628 953165855 /nfs/dbraw/zinc/16/58/55/953165855.db2.gz UJMAXPCXTAKGJE-KRWDZBQOSA-N -1 1 383.416 0.074 20 0 GCADMM Cn1cccc1C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228628 953165857 /nfs/dbraw/zinc/16/58/57/953165857.db2.gz UJMAXPCXTAKGJE-KRWDZBQOSA-N -1 1 383.416 0.074 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571228657 953165934 /nfs/dbraw/zinc/16/59/34/953165934.db2.gz VCNYRAJETBDFCX-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571228657 953165937 /nfs/dbraw/zinc/16/59/37/953165937.db2.gz VCNYRAJETBDFCX-JTQLQIEISA-N -1 1 383.420 0.012 20 0 GCADMM O=C(CCc1ccon1)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571228642 953165966 /nfs/dbraw/zinc/16/59/66/953165966.db2.gz UMVCUKCCXSJMFS-GFCCVEGCSA-N -1 1 383.416 0.350 20 0 GCADMM CCN(CC1CCN(C(=O)c2nc[nH]n2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571228832 953166936 /nfs/dbraw/zinc/16/69/36/953166936.db2.gz WHUMVKJUCWIZGX-UHFFFAOYSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001571229020 953167909 /nfs/dbraw/zinc/16/79/09/953167909.db2.gz YIFHTAGKLBEYII-LLVKDONJSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001571229020 953167912 /nfs/dbraw/zinc/16/79/12/953167912.db2.gz YIFHTAGKLBEYII-LLVKDONJSA-N -1 1 383.420 0.160 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228881 953167927 /nfs/dbraw/zinc/16/79/27/953167927.db2.gz XNEKXECXXBKAPF-NSHDSACASA-N -1 1 383.420 0.009 20 0 GCADMM Cc1c(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)nnn1C ZINC001571229475 953170057 /nfs/dbraw/zinc/17/00/57/953170057.db2.gz FWZCRCQZXVNGPM-LLVKDONJSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1c(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)nnn1C ZINC001571229475 953170058 /nfs/dbraw/zinc/17/00/58/953170058.db2.gz FWZCRCQZXVNGPM-LLVKDONJSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H](C)C2)n1 ZINC001571229772 953171981 /nfs/dbraw/zinc/17/19/81/953171981.db2.gz MRPVIZIQNAOKJO-WDEREUQCSA-N -1 1 383.420 0.199 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H](C)C2)n1 ZINC001571229772 953171983 /nfs/dbraw/zinc/17/19/83/953171983.db2.gz MRPVIZIQNAOKJO-WDEREUQCSA-N -1 1 383.420 0.199 20 0 GCADMM Cn1nncc1C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571230034 953173583 /nfs/dbraw/zinc/17/35/83/953173583.db2.gz RGIPCCRNTCEMTN-LLVKDONJSA-N -1 1 383.420 0.282 20 0 GCADMM Cn1nncc1C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571230034 953173585 /nfs/dbraw/zinc/17/35/85/953173585.db2.gz RGIPCCRNTCEMTN-LLVKDONJSA-N -1 1 383.420 0.282 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H](NC(=O)c3cn(C)nn3)C2)n1 ZINC001571230188 953174218 /nfs/dbraw/zinc/17/42/18/953174218.db2.gz TYEVBNXMLYTLLZ-MNOVXSKESA-N -1 1 383.420 0.247 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H](NC(=O)c3cn(C)nn3)C2)n1 ZINC001571230188 953174221 /nfs/dbraw/zinc/17/42/21/953174221.db2.gz TYEVBNXMLYTLLZ-MNOVXSKESA-N -1 1 383.420 0.247 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571230159 953174686 /nfs/dbraw/zinc/17/46/86/953174686.db2.gz SSTJHEJFRGTZRK-LLVKDONJSA-N -1 1 383.420 0.580 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)c3cn(C)nn3)CC2(C)C)n1 ZINC001571230326 953176145 /nfs/dbraw/zinc/17/61/45/953176145.db2.gz VILMPKGQOUIZDQ-LBPRGKRZSA-N -1 1 383.420 0.056 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)c3cn(C)nn3)CC2(C)C)n1 ZINC001571230326 953176154 /nfs/dbraw/zinc/17/61/54/953176154.db2.gz VILMPKGQOUIZDQ-LBPRGKRZSA-N -1 1 383.420 0.056 20 0 GCADMM O=C(Cc1cscn1)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571230475 953177548 /nfs/dbraw/zinc/17/75/48/953177548.db2.gz DWNIUUBHWXUFNL-TXEJJXNPSA-N -1 1 383.441 0.536 20 0 GCADMM O=C(Cc1cscn1)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571230475 953177550 /nfs/dbraw/zinc/17/75/50/953177550.db2.gz DWNIUUBHWXUFNL-TXEJJXNPSA-N -1 1 383.441 0.536 20 0 GCADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccncn2)c1-c1nn[n-]n1 ZINC001571230640 953178844 /nfs/dbraw/zinc/17/88/44/953178844.db2.gz HRCNKEYYFXTZEU-PHIMTYICSA-N -1 1 383.441 0.915 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571230625 953179077 /nfs/dbraw/zinc/17/90/77/953179077.db2.gz YZFLRHQLEGZHGS-LLVKDONJSA-N -1 1 383.420 0.181 20 0 GCADMM O=C(Cc1cscn1)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571231117 953183624 /nfs/dbraw/zinc/18/36/24/953183624.db2.gz SUDPUVHTAWMPPR-CMPLNLGQSA-N -1 1 383.441 0.393 20 0 GCADMM O=C1OCC[C@@]12CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC001571234734 953205380 /nfs/dbraw/zinc/20/53/80/953205380.db2.gz HEWKOKFVVJJISN-CQSZACIVSA-N -1 1 383.817 0.848 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)C1=COCCO1 ZINC001571235019 953207704 /nfs/dbraw/zinc/20/77/04/953207704.db2.gz PVVGPRBCXRZGCX-LJGSYFOKSA-N -1 1 383.821 0.924 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)C1=COCCO1 ZINC001571235019 953207707 /nfs/dbraw/zinc/20/77/07/953207707.db2.gz PVVGPRBCXRZGCX-LJGSYFOKSA-N -1 1 383.821 0.924 20 0 GCADMM O=C(c1ccccc1F)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571235341 953211444 /nfs/dbraw/zinc/21/14/44/953211444.db2.gz ANZZQJNFRDKBLW-LLVKDONJSA-N -1 1 384.375 0.749 20 0 GCADMM O=C(c1ccccc1F)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571235341 953211447 /nfs/dbraw/zinc/21/14/47/953211447.db2.gz ANZZQJNFRDKBLW-LLVKDONJSA-N -1 1 384.375 0.749 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2)c1n[nH]cc1F ZINC001571235364 953212452 /nfs/dbraw/zinc/21/24/52/953212452.db2.gz BFWKYFQTBYZTCS-GUBZILKMSA-N -1 1 384.379 0.306 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2)c1n[nH]cc1F ZINC001571235364 953212454 /nfs/dbraw/zinc/21/24/54/953212454.db2.gz BFWKYFQTBYZTCS-GUBZILKMSA-N -1 1 384.379 0.306 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)[C@@H](F)c1ccccc1 ZINC001571236185 953216840 /nfs/dbraw/zinc/21/68/40/953216840.db2.gz ULZAXDTZUOLYNA-AGIUHOORSA-N -1 1 384.375 0.033 20 0 GCADMM O=C(N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)[C@@H](F)c1ccccc1 ZINC001571236185 953216843 /nfs/dbraw/zinc/21/68/43/953216843.db2.gz ULZAXDTZUOLYNA-AGIUHOORSA-N -1 1 384.375 0.033 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2CNC(=O)c2ccoc2)n1 ZINC001571236360 953217267 /nfs/dbraw/zinc/21/72/67/953217267.db2.gz XLWUNLUXWMWMGP-GFCCVEGCSA-N -1 1 384.400 0.447 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2CNC(=O)c2ccoc2)n1 ZINC001571236360 953217268 /nfs/dbraw/zinc/21/72/68/953217268.db2.gz XLWUNLUXWMWMGP-GFCCVEGCSA-N -1 1 384.400 0.447 20 0 GCADMM CC(C)(C)C(=O)Nc1ccc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)cn1 ZINC001571236703 953219143 /nfs/dbraw/zinc/21/91/43/953219143.db2.gz BTKJFXVOOIHDKZ-UHFFFAOYSA-N -1 1 384.404 0.268 20 0 GCADMM COc1ccc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571236986 953219814 /nfs/dbraw/zinc/21/98/14/953219814.db2.gz DNOITGILAQTSFO-NSHDSACASA-N -1 1 384.400 0.823 20 0 GCADMM COc1ccc(C(=O)NC[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571236986 953219815 /nfs/dbraw/zinc/21/98/15/953219815.db2.gz DNOITGILAQTSFO-NSHDSACASA-N -1 1 384.400 0.823 20 0 GCADMM COc1ccc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571236985 953219817 /nfs/dbraw/zinc/21/98/17/953219817.db2.gz DNOITGILAQTSFO-LLVKDONJSA-N -1 1 384.400 0.823 20 0 GCADMM COc1ccc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571236985 953219818 /nfs/dbraw/zinc/21/98/18/953219818.db2.gz DNOITGILAQTSFO-LLVKDONJSA-N -1 1 384.400 0.823 20 0 GCADMM Cc1cocc1C(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571237679 953222163 /nfs/dbraw/zinc/22/21/63/953222163.db2.gz LQHDKYJECOFDNQ-AAEUAGOBSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1cocc1C(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571237679 953222165 /nfs/dbraw/zinc/22/21/65/953222165.db2.gz LQHDKYJECOFDNQ-AAEUAGOBSA-N -1 1 384.400 0.900 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)[nH]n1 ZINC001571237989 953223828 /nfs/dbraw/zinc/22/38/28/953223828.db2.gz QAIZGCYFRFKJIZ-JTQLQIEISA-N -1 1 384.404 0.495 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001571237989 953223829 /nfs/dbraw/zinc/22/38/29/953223829.db2.gz QAIZGCYFRFKJIZ-JTQLQIEISA-N -1 1 384.404 0.495 20 0 GCADMM CCOc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571238039 953224662 /nfs/dbraw/zinc/22/46/62/953224662.db2.gz RTAAYXXCVZDBAM-SNVBAGLBSA-N -1 1 384.404 0.035 20 0 GCADMM CCOc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571238039 953224664 /nfs/dbraw/zinc/22/46/64/953224664.db2.gz RTAAYXXCVZDBAM-SNVBAGLBSA-N -1 1 384.404 0.035 20 0 GCADMM O=C(CCc1nn[n-]n1)NC1CCC(Oc2ncccc2-c2nn[nH]n2)CC1 ZINC001571238491 953229863 /nfs/dbraw/zinc/22/98/63/953229863.db2.gz DZERTRSRRJMHCL-UHFFFAOYSA-N -1 1 384.404 0.214 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571238612 953230751 /nfs/dbraw/zinc/23/07/51/953230751.db2.gz IGPZOGSGLVUPSF-KOLCDFICSA-N -1 1 384.404 0.097 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571238612 953230754 /nfs/dbraw/zinc/23/07/54/953230754.db2.gz IGPZOGSGLVUPSF-KOLCDFICSA-N -1 1 384.404 0.097 20 0 GCADMM COc1c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571238699 953231512 /nfs/dbraw/zinc/23/15/12/953231512.db2.gz KJTIEFIWCWAXMT-MGCOHNPYSA-N -1 1 384.404 0.019 20 0 GCADMM COc1c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571238699 953231514 /nfs/dbraw/zinc/23/15/14/953231514.db2.gz KJTIEFIWCWAXMT-MGCOHNPYSA-N -1 1 384.404 0.019 20 0 GCADMM Cn1c(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c[nH]c1=O ZINC001571239107 953235535 /nfs/dbraw/zinc/23/55/35/953235535.db2.gz QOJNTIOSJZMXMU-SNVBAGLBSA-N -1 1 384.404 0.203 20 0 GCADMM Cn1c(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c[nH]c1=O ZINC001571239107 953235537 /nfs/dbraw/zinc/23/55/37/953235537.db2.gz QOJNTIOSJZMXMU-SNVBAGLBSA-N -1 1 384.404 0.203 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571239495 953239730 /nfs/dbraw/zinc/23/97/30/953239730.db2.gz VLTVXXYPIWMHPN-MNOVXSKESA-N -1 1 384.404 0.030 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571239495 953239732 /nfs/dbraw/zinc/23/97/32/953239732.db2.gz VLTVXXYPIWMHPN-MNOVXSKESA-N -1 1 384.404 0.030 20 0 GCADMM Cc1nonc1CC(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239514 953240573 /nfs/dbraw/zinc/24/05/73/953240573.db2.gz VVSRNVLHGHROGV-WDEREUQCSA-N -1 1 384.404 0.430 20 0 GCADMM Cc1nonc1CC(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239514 953240578 /nfs/dbraw/zinc/24/05/78/953240578.db2.gz VVSRNVLHGHROGV-WDEREUQCSA-N -1 1 384.404 0.430 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571239819 953242814 /nfs/dbraw/zinc/24/28/14/953242814.db2.gz YULOSXHGBJRVKO-SNVBAGLBSA-N -1 1 384.404 0.358 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571239819 953242817 /nfs/dbraw/zinc/24/28/17/953242817.db2.gz YULOSXHGBJRVKO-SNVBAGLBSA-N -1 1 384.404 0.358 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571239818 953242939 /nfs/dbraw/zinc/24/29/39/953242939.db2.gz YULOSXHGBJRVKO-JTQLQIEISA-N -1 1 384.404 0.358 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571239818 953242942 /nfs/dbraw/zinc/24/29/42/953242942.db2.gz YULOSXHGBJRVKO-JTQLQIEISA-N -1 1 384.404 0.358 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)c1cnns1 ZINC001571241482 953246839 /nfs/dbraw/zinc/24/68/39/953246839.db2.gz AOHDLEFEIAYNFP-VFZGTOFNSA-N -1 1 384.429 0.297 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)c1cnns1 ZINC001571241482 953246843 /nfs/dbraw/zinc/24/68/43/953246843.db2.gz AOHDLEFEIAYNFP-VFZGTOFNSA-N -1 1 384.429 0.297 20 0 GCADMM O=C(N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)c1csnn1 ZINC001571241674 953248585 /nfs/dbraw/zinc/24/85/85/953248585.db2.gz HXBXOTKFFKQJAO-NXEZZACHSA-N -1 1 384.429 0.083 20 0 GCADMM C[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571242060 953252869 /nfs/dbraw/zinc/25/28/69/953252869.db2.gz APHACPKNYMPNAL-IPNGBCKKSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571242060 953252872 /nfs/dbraw/zinc/25/28/72/953252872.db2.gz APHACPKNYMPNAL-IPNGBCKKSA-N -1 1 384.444 0.446 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571242074 953253272 /nfs/dbraw/zinc/25/32/72/953253272.db2.gz ATTSXMYHLNFUPP-STKZKQKTSA-N -1 1 384.444 0.370 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571242074 953253276 /nfs/dbraw/zinc/25/32/76/953253276.db2.gz ATTSXMYHLNFUPP-STKZKQKTSA-N -1 1 384.444 0.370 20 0 GCADMM CN(C(=O)[C@]12CCC[C@H]1OCC2)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571242278 953254736 /nfs/dbraw/zinc/25/47/36/953254736.db2.gz CNFZNSPKEVKNIT-DFHBCGBQSA-N -1 1 384.444 0.653 20 0 GCADMM CN(C(=O)[C@]12CCC[C@H]1OCC2)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571242278 953254744 /nfs/dbraw/zinc/25/47/44/953254744.db2.gz CNFZNSPKEVKNIT-DFHBCGBQSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571242266 953255000 /nfs/dbraw/zinc/25/50/00/953255000.db2.gz CLHYYBXGGRQBQK-JSGCOSHPSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571242266 953255004 /nfs/dbraw/zinc/25/50/04/953255004.db2.gz CLHYYBXGGRQBQK-JSGCOSHPSA-N -1 1 384.444 0.900 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC[C@H]2C)n1 ZINC001571242429 953256146 /nfs/dbraw/zinc/25/61/46/953256146.db2.gz GABBQTMNDXOKON-NTASLKFISA-N -1 1 384.444 0.331 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC[C@H]2C)n1 ZINC001571242429 953256149 /nfs/dbraw/zinc/25/61/49/953256149.db2.gz GABBQTMNDXOKON-NTASLKFISA-N -1 1 384.444 0.331 20 0 GCADMM CCc1nc(NC2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571242384 953256281 /nfs/dbraw/zinc/25/62/81/953256281.db2.gz FEAPCVLLHOAUEI-XNDVWGPLSA-N -1 1 384.444 0.562 20 0 GCADMM CCc1nc(NC2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571242384 953256283 /nfs/dbraw/zinc/25/62/83/953256283.db2.gz FEAPCVLLHOAUEI-XNDVWGPLSA-N -1 1 384.444 0.562 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001571242376 953256550 /nfs/dbraw/zinc/25/65/50/953256550.db2.gz DVPZUXKVUVSNKG-HUUCEWRRSA-N -1 1 384.444 0.867 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C1=CCCCCC1 ZINC001571242376 953256554 /nfs/dbraw/zinc/25/65/54/953256554.db2.gz DVPZUXKVUVSNKG-HUUCEWRRSA-N -1 1 384.444 0.867 20 0 GCADMM CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571242479 953257089 /nfs/dbraw/zinc/25/70/89/953257089.db2.gz HMUHBIOZUHBNCE-LLYMFKJOSA-N -1 1 384.444 0.731 20 0 GCADMM CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571242479 953257091 /nfs/dbraw/zinc/25/70/91/953257091.db2.gz HMUHBIOZUHBNCE-LLYMFKJOSA-N -1 1 384.444 0.731 20 0 GCADMM CO[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CC1 ZINC001571242558 953257602 /nfs/dbraw/zinc/25/76/02/953257602.db2.gz IZEDKTBINPBUDE-WWGRRREGSA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001571242558 953257607 /nfs/dbraw/zinc/25/76/07/953257607.db2.gz IZEDKTBINPBUDE-WWGRRREGSA-N -1 1 384.444 0.366 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nnn[n-]2)n1 ZINC001571242554 953258122 /nfs/dbraw/zinc/25/81/22/953258122.db2.gz ITQVVYFLUMKPRK-XMQPUEPBSA-N -1 1 384.444 0.513 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nn[n-]n2)n1 ZINC001571242554 953258124 /nfs/dbraw/zinc/25/81/24/953258124.db2.gz ITQVVYFLUMKPRK-XMQPUEPBSA-N -1 1 384.444 0.513 20 0 GCADMM CN(CC1CCN(C(=O)C2=CCOCC2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571242803 953260268 /nfs/dbraw/zinc/26/02/68/953260268.db2.gz OKSRFOIFFAMMGL-UHFFFAOYSA-N -1 1 384.444 0.678 20 0 GCADMM CN(CC1CCN(C(=O)C2=CCOCC2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571242803 953260270 /nfs/dbraw/zinc/26/02/70/953260270.db2.gz OKSRFOIFFAMMGL-UHFFFAOYSA-N -1 1 384.444 0.678 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)C3=COCCC3)C2)n1 ZINC001571242996 953262118 /nfs/dbraw/zinc/26/21/18/953262118.db2.gz SOBKDWJXIZVCFG-ZDUSSCGKSA-N -1 1 384.444 0.944 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)C3=COCCC3)C2)n1 ZINC001571242996 953262120 /nfs/dbraw/zinc/26/21/20/953262120.db2.gz SOBKDWJXIZVCFG-ZDUSSCGKSA-N -1 1 384.444 0.944 20 0 GCADMM CCOC1CC(CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001571243033 953262816 /nfs/dbraw/zinc/26/28/16/953262816.db2.gz UIVMHZAHIWGMPI-KJZWCNOPSA-N -1 1 384.444 0.413 20 0 GCADMM CCOC1CC(CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)C1 ZINC001571243033 953262818 /nfs/dbraw/zinc/26/28/18/953262818.db2.gz UIVMHZAHIWGMPI-KJZWCNOPSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)nc2C1 ZINC001571246019 953279159 /nfs/dbraw/zinc/27/91/59/953279159.db2.gz QWKCTEYCMMHVGZ-SNVBAGLBSA-N -1 1 384.448 0.656 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)nc2C1 ZINC001571246019 953279161 /nfs/dbraw/zinc/27/91/61/953279161.db2.gz QWKCTEYCMMHVGZ-SNVBAGLBSA-N -1 1 384.448 0.656 20 0 GCADMM O=C([C@@H]1CC12CCOCC2)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571247624 953284002 /nfs/dbraw/zinc/28/40/02/953284002.db2.gz AUHCFIPYLNKSAM-OLZOCXBDSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@@H]1CC12CCOCC2)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571247624 953284005 /nfs/dbraw/zinc/28/40/05/953284005.db2.gz AUHCFIPYLNKSAM-OLZOCXBDSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@@H]1CCOC1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571247667 953284386 /nfs/dbraw/zinc/28/43/86/953284386.db2.gz BHMFXWBRHMGXFQ-ACJLOTCBSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@@H]1CCOC1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571247667 953284390 /nfs/dbraw/zinc/28/43/90/953284390.db2.gz BHMFXWBRHMGXFQ-ACJLOTCBSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(C[C@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571248526 953294074 /nfs/dbraw/zinc/29/40/74/953294074.db2.gz FQZXVYQJALNJHE-WTUNAVPPSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(C[C@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571248526 953294078 /nfs/dbraw/zinc/29/40/78/953294078.db2.gz FQZXVYQJALNJHE-WTUNAVPPSA-N -1 1 384.444 0.842 20 0 GCADMM O=C([C@H]1CCCO1)N1CCC2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571248797 953298065 /nfs/dbraw/zinc/29/80/65/953298065.db2.gz IPWFBGLICPTWNL-CQSZACIVSA-N -1 1 384.444 0.655 20 0 GCADMM O=C([C@H]1CCCO1)N1CCC2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571248797 953298067 /nfs/dbraw/zinc/29/80/67/953298067.db2.gz IPWFBGLICPTWNL-CQSZACIVSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)[C@@H]1C[C@H]1C1CCC1 ZINC001571248912 953298619 /nfs/dbraw/zinc/29/86/19/953298619.db2.gz LQCRWXKCSBBCPT-MELADBBJSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)[C@@H]1C[C@H]1C1CCC1 ZINC001571248912 953298621 /nfs/dbraw/zinc/29/86/21/953298621.db2.gz LQCRWXKCSBBCPT-MELADBBJSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCOCC1 ZINC001571248920 953298750 /nfs/dbraw/zinc/29/87/50/953298750.db2.gz MAUFWIVJJWOKMC-DGAVXFQQSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571249346 953303760 /nfs/dbraw/zinc/30/37/60/953303760.db2.gz OQWINKNVHXXRGK-VFVRVIDISA-N -1 1 384.444 0.441 20 0 GCADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571249344 953304030 /nfs/dbraw/zinc/30/40/30/953304030.db2.gz OQULZJZCARTWKX-SYQHCUMBSA-N -1 1 384.444 0.439 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC001571250425 953311643 /nfs/dbraw/zinc/31/16/43/953311643.db2.gz RNYOWBVYTBSVHP-BNOWGMLFSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC001571250425 953311646 /nfs/dbraw/zinc/31/16/46/953311646.db2.gz RNYOWBVYTBSVHP-BNOWGMLFSA-N -1 1 384.444 0.293 20 0 GCADMM CS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571250856 953313686 /nfs/dbraw/zinc/31/36/86/953313686.db2.gz UINWEFWMDFSUBS-JTQLQIEISA-N -1 1 384.487 0.894 20 0 GCADMM O=C(CC1(O)CCC1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571251255 953316601 /nfs/dbraw/zinc/31/66/01/953316601.db2.gz SXYHIQSHUYVZKL-TZMCWYRMSA-N -1 1 384.444 0.389 20 0 GCADMM O=C(CC1(O)CCC1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571251255 953316605 /nfs/dbraw/zinc/31/66/05/953316605.db2.gz SXYHIQSHUYVZKL-TZMCWYRMSA-N -1 1 384.444 0.389 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571251774 953319469 /nfs/dbraw/zinc/31/94/69/953319469.db2.gz WQJVOBHJBMOMEE-UONOGXRCSA-N -1 1 384.444 0.368 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571251774 953319473 /nfs/dbraw/zinc/31/94/73/953319473.db2.gz WQJVOBHJBMOMEE-UONOGXRCSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(C[C@H]1CCCO1)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571252212 953325353 /nfs/dbraw/zinc/32/53/53/953325353.db2.gz ZCFSGYGNYVBODJ-ACJLOTCBSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(C[C@H]1CCCO1)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571252212 953325357 /nfs/dbraw/zinc/32/53/57/953325357.db2.gz ZCFSGYGNYVBODJ-ACJLOTCBSA-N -1 1 384.444 0.655 20 0 GCADMM COCc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571255019 953344061 /nfs/dbraw/zinc/34/40/61/953344061.db2.gz FEOZSCMHOYHPSM-SNVBAGLBSA-N -1 1 385.388 0.047 20 0 GCADMM COCc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571255019 953344065 /nfs/dbraw/zinc/34/40/65/953344065.db2.gz FEOZSCMHOYHPSM-SNVBAGLBSA-N -1 1 385.388 0.047 20 0 GCADMM COc1nc(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)co1 ZINC001571255264 953346593 /nfs/dbraw/zinc/34/65/93/953346593.db2.gz GTWBHTBKNCTUOG-INIZCTEOSA-N -1 1 385.388 0.361 20 0 GCADMM COc1nc(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)co1 ZINC001571255264 953346596 /nfs/dbraw/zinc/34/65/96/953346596.db2.gz GTWBHTBKNCTUOG-INIZCTEOSA-N -1 1 385.388 0.361 20 0 GCADMM COCc1nocc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571255270 953347204 /nfs/dbraw/zinc/34/72/04/953347204.db2.gz GWORAVLOPOHWTO-AOOOYVTPSA-N -1 1 385.388 0.412 20 0 GCADMM COCc1nocc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571255270 953347207 /nfs/dbraw/zinc/34/72/07/953347207.db2.gz GWORAVLOPOHWTO-AOOOYVTPSA-N -1 1 385.388 0.412 20 0 GCADMM COc1cc(C)cnc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571255600 953350613 /nfs/dbraw/zinc/35/06/13/953350613.db2.gz KCDSWNZYOBSEBU-UHFFFAOYSA-N -1 1 385.388 0.391 20 0 GCADMM COc1cc(C)cnc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571255600 953350618 /nfs/dbraw/zinc/35/06/18/953350618.db2.gz KCDSWNZYOBSEBU-UHFFFAOYSA-N -1 1 385.388 0.391 20 0 GCADMM COCc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)no1 ZINC001571255749 953353117 /nfs/dbraw/zinc/35/31/17/953353117.db2.gz MJERHIIVJVEACE-SNVBAGLBSA-N -1 1 385.388 0.426 20 0 GCADMM COCc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)no1 ZINC001571255749 953353123 /nfs/dbraw/zinc/35/31/23/953353123.db2.gz MJERHIIVJVEACE-SNVBAGLBSA-N -1 1 385.388 0.426 20 0 GCADMM COc1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)co1 ZINC001571255739 953353970 /nfs/dbraw/zinc/35/39/70/953353970.db2.gz MFOIIPDJDAAHTF-VHSXEESVSA-N -1 1 385.388 0.759 20 0 GCADMM 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COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cn1 ZINC000438808997 531155917 /nfs/dbraw/zinc/15/59/17/531155917.db2.gz HABWGMDVGPZPNA-UHFFFAOYSA-N -1 1 391.402 0.400 20 0 GCADMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)c1 ZINC000438808615 531155923 /nfs/dbraw/zinc/15/59/23/531155923.db2.gz JOGOPHNXYAQAAI-UHFFFAOYSA-N -1 1 386.817 0.870 20 0 GCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC[S@]1=O ZINC000439214238 531159679 /nfs/dbraw/zinc/15/96/79/531159679.db2.gz WYJKWWPXRLZARH-ZQJOYCHOSA-N -1 1 398.503 0.729 20 0 GCADMM Cn1cc(S(=O)(=O)[N-]Cc2ncc(-c3cccs3)[nH]2)c(=O)n(C)c1=O ZINC000439186495 531159803 /nfs/dbraw/zinc/15/98/03/531159803.db2.gz CEYBUGQPGSRUAH-UHFFFAOYSA-N -1 1 381.439 0.014 20 0 GCADMM COCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000629331134 531165793 /nfs/dbraw/zinc/16/57/93/531165793.db2.gz JDCOHKBTFABBDJ-UHFFFAOYSA-N -1 1 380.488 0.778 20 0 GCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2OC)c(F)c1 ZINC000645826987 531166457 /nfs/dbraw/zinc/16/64/57/531166457.db2.gz GYDTWOJDXNVXNC-CHWSQXEVSA-N -1 1 396.462 0.670 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](n3cncn3)C2)c(F)c1 ZINC000681595583 531168083 /nfs/dbraw/zinc/16/80/83/531168083.db2.gz CLCUFJKDFIDNKY-LLVKDONJSA-N -1 1 389.434 0.424 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(CN2CCN(C(C)(C)C(=O)[O-])CC2)s1 ZINC000629364155 531170443 /nfs/dbraw/zinc/17/04/43/531170443.db2.gz UJSBQHGEOVVASF-UHFFFAOYSA-N -1 1 375.516 0.979 20 0 GCADMM CS(=O)(=O)N1CCN(CC[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000649679706 531174240 /nfs/dbraw/zinc/17/42/40/531174240.db2.gz SQXQAMJPYJCJNP-UHFFFAOYSA-N -1 1 387.936 0.257 20 0 GCADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CC[S@@](=O)C1 ZINC000564487675 531174388 /nfs/dbraw/zinc/17/43/88/531174388.db2.gz FOXAWRFTGVGUQE-HXNGOWOSSA-N -1 1 385.294 0.909 20 0 GCADMM O=C(NCc1nn[n-]n1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000683179381 531176900 /nfs/dbraw/zinc/17/69/00/531176900.db2.gz GRQUVKVQNIAVNR-LLVKDONJSA-N -1 1 379.218 0.770 20 0 GCADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000565024145 531178910 /nfs/dbraw/zinc/17/89/10/531178910.db2.gz INSWUXRBFPLSJV-BXKDBHETSA-N -1 1 397.280 0.473 20 0 GCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccnn1CC(C)C ZINC000565020312 531178458 /nfs/dbraw/zinc/17/84/58/531178458.db2.gz KOUUCRXYTIOXHM-UHFFFAOYSA-N -1 1 387.487 0.718 20 0 GCADMM C[C@@]1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CCCC[C@H]1O ZINC000565227910 531181023 /nfs/dbraw/zinc/18/10/23/531181023.db2.gz MMDHUZSHJNANDO-OCCSQVGLSA-N -1 1 394.519 0.402 20 0 GCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1nnc(C(C)C)s1 ZINC000442558531 531187782 /nfs/dbraw/zinc/18/77/82/531187782.db2.gz QQWRCCKLNHUOEI-UHFFFAOYSA-N -1 1 391.500 0.840 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccncc1[O-] ZINC000685722201 531192754 /nfs/dbraw/zinc/19/27/54/531192754.db2.gz ULNKZOORVRHKPT-UHFFFAOYSA-N -1 1 386.227 0.889 20 0 GCADMM CNS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000685903322 531194263 /nfs/dbraw/zinc/19/42/63/531194263.db2.gz DQYCUUFVFWHPKN-UHFFFAOYSA-N -1 1 392.377 0.621 20 0 GCADMM C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443073291 531195977 /nfs/dbraw/zinc/19/59/77/531195977.db2.gz BVZUJMFGTBAODS-QPUJVOFHSA-N -1 1 379.435 0.000 20 0 GCADMM C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443073290 531196081 /nfs/dbraw/zinc/19/60/81/531196081.db2.gz BVZUJMFGTBAODS-PRHODGIISA-N -1 1 379.435 0.000 20 0 GCADMM CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C(N)=O ZINC000566281633 531196227 /nfs/dbraw/zinc/19/62/27/531196227.db2.gz ZOMTVUMOLGWMPJ-UHFFFAOYSA-N -1 1 382.269 0.994 20 0 GCADMM CC(CO)(CO)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000566347189 531197387 /nfs/dbraw/zinc/19/73/87/531197387.db2.gz VVJPRKRUVWYCDA-UHFFFAOYSA-N -1 1 385.269 0.379 20 0 GCADMM O=S(=O)(CCCCS(=O)(=O)N1CCCO[C@H](CF)C1)[N-]c1c[nH]cn1 ZINC000566485903 531198588 /nfs/dbraw/zinc/19/85/88/531198588.db2.gz NBKAXCUWQGBJSN-GFCCVEGCSA-N -1 1 398.482 0.322 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736657836 598824464 /nfs/dbraw/zinc/82/44/64/598824464.db2.gz YIGIHXDCXUMYQE-SECBINFHSA-N -1 1 396.473 0.456 20 0 GCADMM CN(CCc1ccc(Cl)cc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736804769 598829763 /nfs/dbraw/zinc/82/97/63/598829763.db2.gz VENXOTXULKQDGY-UHFFFAOYSA-N -1 1 375.820 0.596 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2ccc(F)cc2Cl)n(C)c1=O ZINC000737596990 598830301 /nfs/dbraw/zinc/83/03/01/598830301.db2.gz PCCMARHQYIILBV-UHFFFAOYSA-N -1 1 379.783 0.711 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000737778064 598841979 /nfs/dbraw/zinc/84/19/79/598841979.db2.gz WHTFRIWBIWDIHL-UHFFFAOYSA-N -1 1 376.377 0.797 20 0 GCADMM COC(=O)NCCCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736937185 598846904 /nfs/dbraw/zinc/84/69/04/598846904.db2.gz LDILABJGHPHIJM-UHFFFAOYSA-N -1 1 380.361 0.694 20 0 GCADMM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736779987 598874157 /nfs/dbraw/zinc/87/41/57/598874157.db2.gz NGIRLGGNUAFBLH-QMMMGPOBSA-N -1 1 391.862 0.328 20 0 GCADMM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736779987 598874158 /nfs/dbraw/zinc/87/41/58/598874158.db2.gz NGIRLGGNUAFBLH-QMMMGPOBSA-N -1 1 391.862 0.328 20 0 GCADMM NC(=O)CC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737746743 598874662 /nfs/dbraw/zinc/87/46/62/598874662.db2.gz LLGLVEGDVQTAJD-UHFFFAOYSA-N -1 1 384.849 0.796 20 0 GCADMM NC(=O)CC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737746743 598874663 /nfs/dbraw/zinc/87/46/63/598874663.db2.gz LLGLVEGDVQTAJD-UHFFFAOYSA-N -1 1 384.849 0.796 20 0 GCADMM CCc1nnc2n1CCN(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C2 ZINC000736710288 598875436 /nfs/dbraw/zinc/87/54/36/598875436.db2.gz HAIGGMPZGYPSTE-UHFFFAOYSA-N -1 1 394.848 0.879 20 0 GCADMM CCc1nnc2n1CCN(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C2 ZINC000736710288 598875438 /nfs/dbraw/zinc/87/54/38/598875438.db2.gz HAIGGMPZGYPSTE-UHFFFAOYSA-N -1 1 394.848 0.879 20 0 GCADMM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000736905270 598875552 /nfs/dbraw/zinc/87/55/52/598875552.db2.gz BGBAKYFRKHIMBD-NSHDSACASA-N -1 1 378.414 0.226 20 0 GCADMM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000736905270 598875554 /nfs/dbraw/zinc/87/55/54/598875554.db2.gz BGBAKYFRKHIMBD-NSHDSACASA-N -1 1 378.414 0.226 20 0 GCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737488252 598895085 /nfs/dbraw/zinc/89/50/85/598895085.db2.gz MPIUPFAJFDIMDZ-UHFFFAOYSA-N -1 1 394.395 0.927 20 0 GCADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)Cc1cc[nH]n1 ZINC000736786671 598897317 /nfs/dbraw/zinc/89/73/17/598897317.db2.gz BOFGKNCLCMTHKR-UHFFFAOYSA-N -1 1 378.400 0.846 20 0 GCADMM C[C@@H](C(=O)NC1CC1)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735538740 598934169 /nfs/dbraw/zinc/93/41/69/598934169.db2.gz YMMORJLAPHCQKV-LBPRGKRZSA-N -1 1 393.455 0.599 20 0 GCADMM COc1ccnc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000737159670 598937127 /nfs/dbraw/zinc/93/71/27/598937127.db2.gz NWKXPOKVFNBVJV-UHFFFAOYSA-N -1 1 390.411 0.935 20 0 GCADMM COc1ccnc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000737159670 598937128 /nfs/dbraw/zinc/93/71/28/598937128.db2.gz NWKXPOKVFNBVJV-UHFFFAOYSA-N -1 1 390.411 0.935 20 0 GCADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000737225334 598947540 /nfs/dbraw/zinc/94/75/40/598947540.db2.gz MKLUNQPEAMQBEG-UHFFFAOYSA-N -1 1 394.438 0.623 20 0 GCADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(OCC(N)=O)c1 ZINC000737225725 598947599 /nfs/dbraw/zinc/94/75/99/598947599.db2.gz QGOHYWMJGKROIQ-UHFFFAOYSA-N -1 1 388.409 0.840 20 0 GCADMM CS(=O)(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737169499 598958442 /nfs/dbraw/zinc/95/84/42/598958442.db2.gz ZSWXSFZIINXYTL-LLVKDONJSA-N -1 1 388.457 0.576 20 0 GCADMM CS(=O)(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737169499 598958444 /nfs/dbraw/zinc/95/84/44/598958444.db2.gz ZSWXSFZIINXYTL-LLVKDONJSA-N -1 1 388.457 0.576 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736747226 598959766 /nfs/dbraw/zinc/95/97/66/598959766.db2.gz PRZONOGFKGCTAS-WDEREUQCSA-N -1 1 379.446 0.187 20 0 GCADMM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736747226 598959768 /nfs/dbraw/zinc/95/97/68/598959768.db2.gz PRZONOGFKGCTAS-WDEREUQCSA-N -1 1 379.446 0.187 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCN(C(C)C)C2=O)cc1-c1nn[n-]n1 ZINC000737187734 598964632 /nfs/dbraw/zinc/96/46/32/598964632.db2.gz SPYKMZITOROLJX-JTQLQIEISA-N -1 1 377.430 0.428 20 0 GCADMM CCCCn1c(N)c(N(CC)C(=O)c2ccc(-c3nnn[n-]3)nc2)c(=O)[nH]c1=O ZINC000736469471 598982156 /nfs/dbraw/zinc/98/21/56/598982156.db2.gz PJXAOJRMTQHCSJ-UHFFFAOYSA-N -1 1 399.415 0.573 20 0 GCADMM CCCCn1c(N)c(N(CC)C(=O)c2ccc(-c3nn[n-]n3)nc2)c(=O)[nH]c1=O ZINC000736469471 598982157 /nfs/dbraw/zinc/98/21/57/598982157.db2.gz PJXAOJRMTQHCSJ-UHFFFAOYSA-N -1 1 399.415 0.573 20 0 GCADMM COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736919596 598986356 /nfs/dbraw/zinc/98/63/56/598986356.db2.gz SMRBWQJPYARLJQ-UHFFFAOYSA-N -1 1 395.379 0.807 20 0 GCADMM COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736919596 598986358 /nfs/dbraw/zinc/98/63/58/598986358.db2.gz SMRBWQJPYARLJQ-UHFFFAOYSA-N -1 1 395.379 0.807 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000738258698 598990596 /nfs/dbraw/zinc/99/05/96/598990596.db2.gz LOOCQJYZQCKFEG-UHFFFAOYSA-N -1 1 381.371 0.999 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000738258698 598990598 /nfs/dbraw/zinc/99/05/98/598990598.db2.gz LOOCQJYZQCKFEG-UHFFFAOYSA-N -1 1 381.371 0.999 20 0 GCADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)CCO1 ZINC000736289449 598991809 /nfs/dbraw/zinc/99/18/09/598991809.db2.gz LWGIWYXZVLABBE-GFCCVEGCSA-N -1 1 380.412 0.812 20 0 GCADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)CCO1 ZINC000736289449 598991810 /nfs/dbraw/zinc/99/18/10/598991810.db2.gz LWGIWYXZVLABBE-GFCCVEGCSA-N -1 1 380.412 0.812 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000737549671 598995382 /nfs/dbraw/zinc/99/53/82/598995382.db2.gz WOCHXJCFRHLVMA-CMPLNLGQSA-N -1 1 396.473 0.770 20 0 GCADMM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738184994 598998270 /nfs/dbraw/zinc/99/82/70/598998270.db2.gz GSZYCTYXTGIGPL-UHFFFAOYSA-N -1 1 399.436 0.749 20 0 GCADMM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738184994 598998272 /nfs/dbraw/zinc/99/82/72/598998272.db2.gz GSZYCTYXTGIGPL-UHFFFAOYSA-N -1 1 399.436 0.749 20 0 GCADMM CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735709192 599005433 /nfs/dbraw/zinc/00/54/33/599005433.db2.gz PWMZKROCSZENBS-GWCFXTLKSA-N -1 1 375.458 0.938 20 0 GCADMM CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735709192 599005435 /nfs/dbraw/zinc/00/54/35/599005435.db2.gz PWMZKROCSZENBS-GWCFXTLKSA-N -1 1 375.458 0.938 20 0 GCADMM CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736614519 599007377 /nfs/dbraw/zinc/00/73/77/599007377.db2.gz GTILLVZOSGQYJF-LBPRGKRZSA-N -1 1 376.417 0.940 20 0 GCADMM CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736614519 599007378 /nfs/dbraw/zinc/00/73/78/599007378.db2.gz GTILLVZOSGQYJF-LBPRGKRZSA-N -1 1 376.417 0.940 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C3CC=CC3)CC2)o1 ZINC000737467491 599018534 /nfs/dbraw/zinc/01/85/34/599018534.db2.gz QHIDQXGSYYOKAP-UHFFFAOYSA-N -1 1 387.400 0.321 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000737890532 599021198 /nfs/dbraw/zinc/02/11/98/599021198.db2.gz AEJSALSMSWUKNO-UHFFFAOYSA-N -1 1 379.340 0.212 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000737890532 599021200 /nfs/dbraw/zinc/02/12/00/599021200.db2.gz AEJSALSMSWUKNO-UHFFFAOYSA-N -1 1 379.340 0.212 20 0 GCADMM O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738065961 599021285 /nfs/dbraw/zinc/02/12/85/599021285.db2.gz OTOVBICEIYCQHK-UHFFFAOYSA-N -1 1 398.427 0.636 20 0 GCADMM O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738065961 599021287 /nfs/dbraw/zinc/02/12/87/599021287.db2.gz OTOVBICEIYCQHK-UHFFFAOYSA-N -1 1 398.427 0.636 20 0 GCADMM CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735811718 599027709 /nfs/dbraw/zinc/02/77/09/599027709.db2.gz RTRKHMCONMGSIP-ZDUSSCGKSA-N -1 1 375.458 0.939 20 0 GCADMM CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735811718 599027711 /nfs/dbraw/zinc/02/77/11/599027711.db2.gz RTRKHMCONMGSIP-ZDUSSCGKSA-N -1 1 375.458 0.939 20 0 GCADMM CCn1ccnc1CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736722846 599029440 /nfs/dbraw/zinc/02/94/40/599029440.db2.gz PHDPLBUMDZUGCP-UHFFFAOYSA-N -1 1 381.444 0.826 20 0 GCADMM CCn1ccnc1CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736722846 599029442 /nfs/dbraw/zinc/02/94/42/599029442.db2.gz PHDPLBUMDZUGCP-UHFFFAOYSA-N -1 1 381.444 0.826 20 0 GCADMM CCn1cc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000736722120 599029725 /nfs/dbraw/zinc/02/97/25/599029725.db2.gz OSOAQFSGEPACAK-UHFFFAOYSA-N -1 1 381.444 0.826 20 0 GCADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccc(O)cc1 ZINC000736891269 599029787 /nfs/dbraw/zinc/02/97/87/599029787.db2.gz JLABBNNVICZFOY-CYBMUJFWSA-N -1 1 382.380 0.729 20 0 GCADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccc(O)cc1 ZINC000736891269 599029789 /nfs/dbraw/zinc/02/97/89/599029789.db2.gz JLABBNNVICZFOY-CYBMUJFWSA-N -1 1 382.380 0.729 20 0 GCADMM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737761030 599031545 /nfs/dbraw/zinc/03/15/45/599031545.db2.gz OIZKVXZPZZHUPE-LBPRGKRZSA-N -1 1 378.396 0.369 20 0 GCADMM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737761030 599031547 /nfs/dbraw/zinc/03/15/47/599031547.db2.gz OIZKVXZPZZHUPE-LBPRGKRZSA-N -1 1 378.396 0.369 20 0 GCADMM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000736600060 599032473 /nfs/dbraw/zinc/03/24/73/599032473.db2.gz IINJRDWEWQJBBX-SNVBAGLBSA-N -1 1 398.420 0.905 20 0 GCADMM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000736600060 599032474 /nfs/dbraw/zinc/03/24/74/599032474.db2.gz IINJRDWEWQJBBX-SNVBAGLBSA-N -1 1 398.420 0.905 20 0 GCADMM CCOCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736615334 599033136 /nfs/dbraw/zinc/03/31/36/599033136.db2.gz LSGLXMFGXPGLGT-UHFFFAOYSA-N -1 1 387.444 0.657 20 0 GCADMM CCOCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736615334 599033137 /nfs/dbraw/zinc/03/31/37/599033137.db2.gz LSGLXMFGXPGLGT-UHFFFAOYSA-N -1 1 387.444 0.657 20 0 GCADMM CO[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 ZINC000821677412 599046560 /nfs/dbraw/zinc/04/65/60/599046560.db2.gz WKKFJDYOSZDMAS-NSHDSACASA-N -1 1 391.819 0.717 20 0 GCADMM CCOC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736595003 599048526 /nfs/dbraw/zinc/04/85/26/599048526.db2.gz UNJOYHBXWMSISG-PWSUYJOCSA-N -1 1 392.416 0.667 20 0 GCADMM CCOC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736594998 599048791 /nfs/dbraw/zinc/04/87/91/599048791.db2.gz UNJOYHBXWMSISG-JQWIXIFHSA-N -1 1 392.416 0.667 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000737775939 599054958 /nfs/dbraw/zinc/05/49/58/599054958.db2.gz INUJSIWRGPNOFW-JTQLQIEISA-N -1 1 396.367 0.110 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](CSc3ccccc3)C2)n(C)c1=O ZINC000822600381 599088739 /nfs/dbraw/zinc/08/87/39/599088739.db2.gz MUEXTFDNFUCDKA-LBPRGKRZSA-N -1 1 399.480 0.883 20 0 GCADMM C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccc(Cl)cc1 ZINC000820275356 599091588 /nfs/dbraw/zinc/09/15/88/599091588.db2.gz PEWDMKQNPDATRX-VIFPVBQESA-N -1 1 391.819 0.797 20 0 GCADMM Cc1oc(NC(=O)CN2CCc3nn(C)c(=O)cc3C2)c(-c2nn[n-]n2)c1C ZINC000822548766 599103894 /nfs/dbraw/zinc/10/38/94/599103894.db2.gz NLAVOTBIPGXDOF-UHFFFAOYSA-N -1 1 384.400 0.167 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@@H](C)CCO)CC2)o1 ZINC000822423764 599128224 /nfs/dbraw/zinc/12/82/24/599128224.db2.gz OIQHHOXJCHIMGU-JTQLQIEISA-N -1 1 381.462 0.316 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@H](C)[C@@H](C)O)CC2)o1 ZINC000822422897 599131722 /nfs/dbraw/zinc/13/17/22/599131722.db2.gz FYKGAVAQGWOTPA-NXEZZACHSA-N -1 1 381.462 0.314 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)NC(=O)CO2 ZINC000738307409 599135695 /nfs/dbraw/zinc/13/56/95/599135695.db2.gz SOSUICWQIIEIFP-UHFFFAOYSA-N -1 1 380.320 0.632 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)NC(=O)CO2 ZINC000738307409 599135698 /nfs/dbraw/zinc/13/56/98/599135698.db2.gz SOSUICWQIIEIFP-UHFFFAOYSA-N -1 1 380.320 0.632 20 0 GCADMM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736592153 599138482 /nfs/dbraw/zinc/13/84/82/599138482.db2.gz ZZZUIZJCCKMUKX-CYBMUJFWSA-N -1 1 388.384 0.363 20 0 GCADMM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736592153 599138484 /nfs/dbraw/zinc/13/84/84/599138484.db2.gz ZZZUIZJCCKMUKX-CYBMUJFWSA-N -1 1 388.384 0.363 20 0 GCADMM COC(=O)c1sccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736956221 599138631 /nfs/dbraw/zinc/13/86/31/599138631.db2.gz DXUOCWQDHMKIIF-UHFFFAOYSA-N -1 1 388.365 0.905 20 0 GCADMM COC(=O)c1sccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736956221 599138635 /nfs/dbraw/zinc/13/86/35/599138635.db2.gz DXUOCWQDHMKIIF-UHFFFAOYSA-N -1 1 388.365 0.905 20 0 GCADMM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736273036 599138820 /nfs/dbraw/zinc/13/88/20/599138820.db2.gz QUFVEMJAJPDKJD-ZYHUDNBSSA-N -1 1 387.400 0.823 20 0 GCADMM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736273036 599138822 /nfs/dbraw/zinc/13/88/22/599138822.db2.gz QUFVEMJAJPDKJD-ZYHUDNBSSA-N -1 1 387.400 0.823 20 0 GCADMM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736273030 599138934 /nfs/dbraw/zinc/13/89/34/599138934.db2.gz QUFVEMJAJPDKJD-PWSUYJOCSA-N -1 1 387.400 0.823 20 0 GCADMM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736273030 599138936 /nfs/dbraw/zinc/13/89/36/599138936.db2.gz QUFVEMJAJPDKJD-PWSUYJOCSA-N -1 1 387.400 0.823 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC[C@@H]1COc2ccccc2O1 ZINC000737909722 599139645 /nfs/dbraw/zinc/13/96/45/599139645.db2.gz XZULVWISMLHVSS-GFCCVEGCSA-N -1 1 396.363 0.375 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC[C@@H]1COc2ccccc2O1 ZINC000737909722 599139646 /nfs/dbraw/zinc/13/96/46/599139646.db2.gz XZULVWISMLHVSS-GFCCVEGCSA-N -1 1 396.363 0.375 20 0 GCADMM CCN1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736568177 599182936 /nfs/dbraw/zinc/18/29/36/599182936.db2.gz JIYSKJHABDSHNY-VIFPVBQESA-N -1 1 379.446 0.140 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1nnnn1C1CC1 ZINC000822005621 599202016 /nfs/dbraw/zinc/20/20/16/599202016.db2.gz SZDLGNLFUJDFNW-UHFFFAOYSA-N -1 1 384.404 0.155 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000822004880 599207389 /nfs/dbraw/zinc/20/73/89/599207389.db2.gz MBJCMEQYYABFPM-BHYNMZESSA-N -1 1 399.455 0.642 20 0 GCADMM CN([C@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736778776 599210306 /nfs/dbraw/zinc/21/03/06/599210306.db2.gz GEXLQDMWEWWFIB-HNNXBMFYSA-N -1 1 399.436 0.688 20 0 GCADMM CN([C@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736778776 599210307 /nfs/dbraw/zinc/21/03/07/599210307.db2.gz GEXLQDMWEWWFIB-HNNXBMFYSA-N -1 1 399.436 0.688 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCn2cnc3ccccc3c2=O)c1 ZINC000736939343 599221021 /nfs/dbraw/zinc/22/10/21/599221021.db2.gz GKRRESCUDOQVFF-UHFFFAOYSA-N -1 1 393.363 0.225 20 0 GCADMM Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN(C)CCC(=O)[O-])CC1 ZINC000818939363 597001859 /nfs/dbraw/zinc/00/18/59/597001859.db2.gz UUYIBELKAHXJDM-UHFFFAOYSA-N -1 1 390.484 0.793 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCNC(=O)C[C@H]1C ZINC000737488783 599243944 /nfs/dbraw/zinc/24/39/44/599243944.db2.gz XDKCIDWAFWQMRX-SNVBAGLBSA-N -1 1 397.443 0.196 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCNC(=O)C[C@H]1C ZINC000737488783 599243946 /nfs/dbraw/zinc/24/39/46/599243946.db2.gz XDKCIDWAFWQMRX-SNVBAGLBSA-N -1 1 397.443 0.196 20 0 GCADMM CCOc1cc(C(=O)N=c2cc[nH]cc2-c2nn[n-]n2)ccc1OCC(=O)OC ZINC000736626679 599255202 /nfs/dbraw/zinc/25/52/02/599255202.db2.gz KCWPAMIZUHGFAI-UHFFFAOYSA-N -1 1 398.379 0.886 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000737548969 599259745 /nfs/dbraw/zinc/25/97/45/599259745.db2.gz SEFXSDFXGZOEFQ-UHFFFAOYSA-N -1 1 395.383 0.883 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000737548969 599259746 /nfs/dbraw/zinc/25/97/46/599259746.db2.gz SEFXSDFXGZOEFQ-UHFFFAOYSA-N -1 1 395.383 0.883 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1O ZINC000822458883 607297647 /nfs/dbraw/zinc/29/76/47/607297647.db2.gz IFSNVDFRJGOCSK-GJZGRUSLSA-N -1 1 384.444 0.879 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1O ZINC000822458883 607297648 /nfs/dbraw/zinc/29/76/48/607297648.db2.gz IFSNVDFRJGOCSK-GJZGRUSLSA-N -1 1 384.444 0.879 20 0 GCADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])C2)cc(C(=O)OC)c1 ZINC000818517167 597528124 /nfs/dbraw/zinc/52/81/24/597528124.db2.gz ZHEMHHVIHVVWTB-WDEREUQCSA-N -1 1 378.381 0.993 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C(=O)N(C)C)cc1-c1nn[n-]n1 ZINC000737188081 599276131 /nfs/dbraw/zinc/27/61/31/599276131.db2.gz YBJJOBQESUULDN-JTQLQIEISA-N -1 1 377.430 0.382 20 0 GCADMM O=C([O-])[C@@H]1CC(C(=O)Nc2nc(SCCO)n[nH]2)=NN1c1ccccc1 ZINC000821479298 598053127 /nfs/dbraw/zinc/05/31/27/598053127.db2.gz WBJZBOBWOQJGSG-NSHDSACASA-N -1 1 376.398 0.547 20 0 GCADMM CCCOc1cccc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000821138579 607330026 /nfs/dbraw/zinc/33/00/26/607330026.db2.gz BSYJGAJTSKJVKZ-UHFFFAOYSA-N -1 1 385.428 0.708 20 0 GCADMM COCCOc1cn(-c2ccccc2)nc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000737012903 598259229 /nfs/dbraw/zinc/25/92/29/598259229.db2.gz AJAHGPKTVYHJAP-UHFFFAOYSA-N -1 1 395.383 0.545 20 0 GCADMM CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736786599 598260302 /nfs/dbraw/zinc/26/03/02/598260302.db2.gz AAPRVHUFOYWYQW-UHFFFAOYSA-N -1 1 391.388 0.660 20 0 GCADMM CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736786599 598260304 /nfs/dbraw/zinc/26/03/04/598260304.db2.gz AAPRVHUFOYWYQW-UHFFFAOYSA-N -1 1 391.388 0.660 20 0 GCADMM COc1ccc(OCCN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737108863 598261443 /nfs/dbraw/zinc/26/14/43/598261443.db2.gz DTPPQADGBPOURX-UHFFFAOYSA-N -1 1 390.425 0.970 20 0 GCADMM COc1ccc(OCCN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737108863 598261444 /nfs/dbraw/zinc/26/14/44/598261444.db2.gz DTPPQADGBPOURX-UHFFFAOYSA-N -1 1 390.425 0.970 20 0 GCADMM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000736913244 598262128 /nfs/dbraw/zinc/26/21/28/598262128.db2.gz ZQRUXSPPTSWSAS-NSHDSACASA-N -1 1 394.438 0.906 20 0 GCADMM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000736913244 598262129 /nfs/dbraw/zinc/26/21/29/598262129.db2.gz ZQRUXSPPTSWSAS-NSHDSACASA-N -1 1 394.438 0.906 20 0 GCADMM COc1ccc(OC)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737108844 598262692 /nfs/dbraw/zinc/26/26/92/598262692.db2.gz DHCSUKIUTGUEAN-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM COc1ccc(OC)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737108844 598262694 /nfs/dbraw/zinc/26/26/94/598262694.db2.gz DHCSUKIUTGUEAN-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344720 598263047 /nfs/dbraw/zinc/26/30/47/598263047.db2.gz GTLNOVMINVNMDX-UHFFFAOYSA-N -1 1 396.436 0.985 20 0 GCADMM O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344720 598263049 /nfs/dbraw/zinc/26/30/49/598263049.db2.gz GTLNOVMINVNMDX-UHFFFAOYSA-N -1 1 396.436 0.985 20 0 GCADMM COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736948943 598264248 /nfs/dbraw/zinc/26/42/48/598264248.db2.gz YRRODJQTMZAKTQ-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736948943 598264250 /nfs/dbraw/zinc/26/42/50/598264250.db2.gz YRRODJQTMZAKTQ-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000738352785 598264856 /nfs/dbraw/zinc/26/48/56/598264856.db2.gz AOKWSXAOBAZZHQ-RYUDHWBXSA-N -1 1 396.498 0.937 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000738352785 598264858 /nfs/dbraw/zinc/26/48/58/598264858.db2.gz AOKWSXAOBAZZHQ-RYUDHWBXSA-N -1 1 396.498 0.937 20 0 GCADMM COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736911803 598265691 /nfs/dbraw/zinc/26/56/91/598265691.db2.gz WLIJVKFLJXVMQV-HONMWMINSA-N -1 1 392.441 0.757 20 0 GCADMM COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736911803 598265693 /nfs/dbraw/zinc/26/56/93/598265693.db2.gz WLIJVKFLJXVMQV-HONMWMINSA-N -1 1 392.441 0.757 20 0 GCADMM COCCOc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737016525 598265818 /nfs/dbraw/zinc/26/58/18/598265818.db2.gz ZTUIMTZJLSXEJE-UHFFFAOYSA-N -1 1 390.425 0.765 20 0 GCADMM COCCOc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737016525 598265820 /nfs/dbraw/zinc/26/58/20/598265820.db2.gz ZTUIMTZJLSXEJE-UHFFFAOYSA-N -1 1 390.425 0.765 20 0 GCADMM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736601501 598265829 /nfs/dbraw/zinc/26/58/29/598265829.db2.gz ZEALCSNVURFHMV-SNVBAGLBSA-N -1 1 381.418 0.161 20 0 GCADMM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736601501 598265831 /nfs/dbraw/zinc/26/58/31/598265831.db2.gz ZEALCSNVURFHMV-SNVBAGLBSA-N -1 1 381.418 0.161 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(Cl)cc1 ZINC000737895736 598267630 /nfs/dbraw/zinc/26/76/30/598267630.db2.gz RLZSHDROPDYWFF-UHFFFAOYSA-N -1 1 393.816 0.832 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(Cl)cc1 ZINC000737895736 598267631 /nfs/dbraw/zinc/26/76/31/598267631.db2.gz RLZSHDROPDYWFF-UHFFFAOYSA-N -1 1 393.816 0.832 20 0 GCADMM COc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737095643 598267917 /nfs/dbraw/zinc/26/79/17/598267917.db2.gz LMMIOAJPIQFKGL-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM COc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737095643 598267919 /nfs/dbraw/zinc/26/79/19/598267919.db2.gz LMMIOAJPIQFKGL-UHFFFAOYSA-N -1 1 376.398 0.757 20 0 GCADMM O=S(=O)(NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344273 598268459 /nfs/dbraw/zinc/26/84/59/598268459.db2.gz FRGVTUJHHGBDQK-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM O=S(=O)(NCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344273 598268461 /nfs/dbraw/zinc/26/84/61/598268461.db2.gz FRGVTUJHHGBDQK-UHFFFAOYSA-N -1 1 382.409 0.926 20 0 GCADMM O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CN1c1ccccc1 ZINC000738302391 598269427 /nfs/dbraw/zinc/26/94/27/598269427.db2.gz VNVYBMPAMUVBFD-LLVKDONJSA-N -1 1 385.409 0.346 20 0 GCADMM O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CN1c1ccccc1 ZINC000738302391 598269428 /nfs/dbraw/zinc/26/94/28/598269428.db2.gz VNVYBMPAMUVBFD-LLVKDONJSA-N -1 1 385.409 0.346 20 0 GCADMM CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736524300 598270006 /nfs/dbraw/zinc/27/00/06/598270006.db2.gz URQSIXCLFAPYKM-UHFFFAOYSA-N -1 1 393.473 0.531 20 0 GCADMM CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736524300 598270007 /nfs/dbraw/zinc/27/00/07/598270007.db2.gz URQSIXCLFAPYKM-UHFFFAOYSA-N -1 1 393.473 0.531 20 0 GCADMM CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736323475 598270199 /nfs/dbraw/zinc/27/01/99/598270199.db2.gz FGLAKINXJYCWPG-BXKDBHETSA-N -1 1 397.486 0.240 20 0 GCADMM CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736323475 598270201 /nfs/dbraw/zinc/27/02/01/598270201.db2.gz FGLAKINXJYCWPG-BXKDBHETSA-N -1 1 397.486 0.240 20 0 GCADMM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736412471 598273765 /nfs/dbraw/zinc/27/37/65/598273765.db2.gz PNMZFFNGDHQXMX-NSHDSACASA-N -1 1 379.446 0.331 20 0 GCADMM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736412471 598273767 /nfs/dbraw/zinc/27/37/67/598273767.db2.gz PNMZFFNGDHQXMX-NSHDSACASA-N -1 1 379.446 0.331 20 0 GCADMM O=c1ccn(C2CC2)c(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)n1 ZINC000738381098 598296499 /nfs/dbraw/zinc/29/64/99/598296499.db2.gz TYDJYTFQOYLLPR-UHFFFAOYSA-N -1 1 383.397 0.799 20 0 GCADMM COC(=O)CSCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736930879 598310258 /nfs/dbraw/zinc/31/02/58/598310258.db2.gz NIVFYDSJGIDGLS-UHFFFAOYSA-N -1 1 394.457 0.539 20 0 GCADMM O=S(=O)(c1ccc(Sc2nccnc2-c2nn[n-]n2)nc1)N1CCCC1 ZINC000738353961 598339863 /nfs/dbraw/zinc/33/98/63/598339863.db2.gz FSRKQUGZMSHVMR-UHFFFAOYSA-N -1 1 390.454 0.987 20 0 GCADMM Cc1ccc(OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737364190 598349802 /nfs/dbraw/zinc/34/98/02/598349802.db2.gz JHBIQWIWTBLHKF-UHFFFAOYSA-N -1 1 380.412 0.693 20 0 GCADMM Cc1ccc(OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737364190 598349805 /nfs/dbraw/zinc/34/98/05/598349805.db2.gz JHBIQWIWTBLHKF-UHFFFAOYSA-N -1 1 380.412 0.693 20 0 GCADMM COC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736935200 598359523 /nfs/dbraw/zinc/35/95/23/598359523.db2.gz GKUVSNCAZFWNBO-MRVPVSSYSA-N -1 1 393.429 0.650 20 0 GCADMM Cc1nn(Cc2nc(-c3ccc4c(c3)OCO4)no2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737524321 598363385 /nfs/dbraw/zinc/36/33/85/598363385.db2.gz XFYDYCRDIBIOSA-UHFFFAOYSA-N -1 1 394.351 0.867 20 0 GCADMM Cc1nn(-c2ccccc2)c(COC(=O)C2CC(=O)NC(=O)C2)c1-c1nn[n-]n1 ZINC000737504447 598371225 /nfs/dbraw/zinc/37/12/25/598371225.db2.gz YVFRCPGDRQMQMU-UHFFFAOYSA-N -1 1 395.379 0.457 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN(CC(C)(C)O)CC2)cc1-c1nnn[n-]1 ZINC000737186089 598377346 /nfs/dbraw/zinc/37/73/46/598377346.db2.gz GNQMZFFSNKJASO-UHFFFAOYSA-N -1 1 393.473 0.218 20 0 GCADMM CCc1nn(Cc2cc(=O)n3ccccc3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705939 598378009 /nfs/dbraw/zinc/37/80/09/598378009.db2.gz DGVUCVPOHCOEHV-UHFFFAOYSA-N -1 1 378.396 0.604 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOc2ccc(F)c(F)c2)n(C)c1=O ZINC000737597551 598386322 /nfs/dbraw/zinc/38/63/22/598386322.db2.gz RXMGYYOLMOAYKR-UHFFFAOYSA-N -1 1 379.327 0.033 20 0 GCADMM COc1nc(C)cc(C)c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737164098 598464546 /nfs/dbraw/zinc/46/45/46/598464546.db2.gz YLUORVWCASTGTP-UHFFFAOYSA-N -1 1 375.414 0.761 20 0 GCADMM COc1nc(C)cc(C)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737164098 598464548 /nfs/dbraw/zinc/46/45/48/598464548.db2.gz YLUORVWCASTGTP-UHFFFAOYSA-N -1 1 375.414 0.761 20 0 GCADMM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737744629 598472610 /nfs/dbraw/zinc/47/26/10/598472610.db2.gz MWFLBMLGGMSEMO-CQSZACIVSA-N -1 1 385.409 0.035 20 0 GCADMM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737744629 598472612 /nfs/dbraw/zinc/47/26/12/598472612.db2.gz MWFLBMLGGMSEMO-CQSZACIVSA-N -1 1 385.409 0.035 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCN1C(=O)CNC1=O ZINC000737549193 598496598 /nfs/dbraw/zinc/49/65/98/598496598.db2.gz TVKIZUMCIMPRMT-UHFFFAOYSA-N -1 1 398.383 0.231 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCN1C(=O)CNC1=O ZINC000737549193 598496599 /nfs/dbraw/zinc/49/65/99/598496599.db2.gz TVKIZUMCIMPRMT-UHFFFAOYSA-N -1 1 398.383 0.231 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NC(=O)NCc1ccco1 ZINC000737981243 598503560 /nfs/dbraw/zinc/50/35/60/598503560.db2.gz KILISTSDQZTWCM-UHFFFAOYSA-N -1 1 393.363 0.801 20 0 GCADMM Cc1oc(NC(=O)COC(=O)CCCS(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000737551609 598542373 /nfs/dbraw/zinc/54/23/73/598542373.db2.gz JLPOVATXLVIXTH-UHFFFAOYSA-N -1 1 385.402 0.383 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCS(C)(=O)=O ZINC000737549323 598550097 /nfs/dbraw/zinc/55/00/97/598550097.db2.gz VUBAQKCOXSPWMC-UHFFFAOYSA-N -1 1 378.414 0.675 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCS(C)(=O)=O ZINC000737549323 598550098 /nfs/dbraw/zinc/55/00/98/598550098.db2.gz VUBAQKCOXSPWMC-UHFFFAOYSA-N -1 1 378.414 0.675 20 0 GCADMM CS(=O)(=O)CCN1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737163461 598592518 /nfs/dbraw/zinc/59/25/18/598592518.db2.gz VUYJHVBNAXHYQD-UHFFFAOYSA-N -1 1 391.910 0.898 20 0 GCADMM CS(=O)(=O)CCN1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737163461 598592520 /nfs/dbraw/zinc/59/25/20/598592520.db2.gz VUYJHVBNAXHYQD-UHFFFAOYSA-N -1 1 391.910 0.898 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2c2ccc3c(c2)OCO3)n(C)c1=O ZINC000737597795 598613755 /nfs/dbraw/zinc/61/37/55/598613755.db2.gz UTUGPOLUWIVCHN-NSHDSACASA-N -1 1 397.395 0.334 20 0 GCADMM Cc1nc2c(s1)[C@H](N(C)c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CCC2 ZINC000737487777 598628062 /nfs/dbraw/zinc/62/80/62/598628062.db2.gz JCGRPXDETLOADH-SNVBAGLBSA-N -1 1 388.457 0.543 20 0 GCADMM CCc1nn(CC(=O)NCCOc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705561 598640449 /nfs/dbraw/zinc/64/04/49/598640449.db2.gz KGGRDQSBWCZLDF-UHFFFAOYSA-N -1 1 397.439 0.743 20 0 GCADMM CCc1nn(Cc2cc(=O)n3ccc(C)cc3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705991 598641824 /nfs/dbraw/zinc/64/18/24/598641824.db2.gz FJYOGAHIENABAU-UHFFFAOYSA-N -1 1 392.423 0.913 20 0 GCADMM NC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737760214 598688823 /nfs/dbraw/zinc/68/88/23/598688823.db2.gz IXCIRAJRTWTGDF-UHFFFAOYSA-N -1 1 376.373 0.583 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(c2nccs2)CC1 ZINC000738353744 598689119 /nfs/dbraw/zinc/68/91/19/598689119.db2.gz GIUVNTZWJXYEGM-UHFFFAOYSA-N -1 1 395.445 0.973 20 0 GCADMM CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000735736851 598689444 /nfs/dbraw/zinc/68/94/44/598689444.db2.gz ZSEGCIYMMGNOCS-UONOGXRCSA-N -1 1 399.415 0.383 20 0 GCADMM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736601248 598690044 /nfs/dbraw/zinc/69/00/44/598690044.db2.gz UKTUOIDDYDQVSB-SNVBAGLBSA-N -1 1 398.420 0.905 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](C2OCCO2)C1 ZINC000738355786 598694479 /nfs/dbraw/zinc/69/44/79/598694479.db2.gz SQPBIWDXZDAPJO-JTQLQIEISA-N -1 1 383.405 0.779 20 0 GCADMM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738304359 598711861 /nfs/dbraw/zinc/71/18/61/598711861.db2.gz XUMZSIFPUYSUDI-LLVKDONJSA-N -1 1 377.430 0.037 20 0 GCADMM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738304359 598711862 /nfs/dbraw/zinc/71/18/62/598711862.db2.gz XUMZSIFPUYSUDI-LLVKDONJSA-N -1 1 377.430 0.037 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@H]1CCCCNC1=O ZINC000737201001 598718399 /nfs/dbraw/zinc/71/83/99/598718399.db2.gz PHMQURMQNZPSSX-ZDUSSCGKSA-N -1 1 387.444 0.644 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NC(=O)NCC(F)(F)F ZINC000737982141 598720291 /nfs/dbraw/zinc/72/02/91/598720291.db2.gz OAASXJBBLDEGAU-UHFFFAOYSA-N -1 1 395.301 0.570 20 0 GCADMM CCCNC(=O)CCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736482851 598723001 /nfs/dbraw/zinc/72/30/01/598723001.db2.gz ASOFXMSMPLNULJ-UHFFFAOYSA-N -1 1 378.389 0.865 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000737548834 598754808 /nfs/dbraw/zinc/75/48/08/598754808.db2.gz SEYDYYXLXYWELJ-JTQLQIEISA-N -1 1 391.413 0.062 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000737548834 598754809 /nfs/dbraw/zinc/75/48/09/598754809.db2.gz SEYDYYXLXYWELJ-JTQLQIEISA-N -1 1 391.413 0.062 20 0 GCADMM NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737747335 598776960 /nfs/dbraw/zinc/77/69/60/598776960.db2.gz LUIRXOCLAYGWBB-UHFFFAOYSA-N -1 1 390.400 0.682 20 0 GCADMM COC[C@@H](C)CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736967480 598777542 /nfs/dbraw/zinc/77/75/42/598777542.db2.gz BMJNXYXILDQKTE-NSHDSACASA-N -1 1 390.448 0.846 20 0 GCADMM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736507272 598796801 /nfs/dbraw/zinc/79/68/01/598796801.db2.gz CPKCMHJASVMEMS-VIFPVBQESA-N -1 1 391.450 0.450 20 0 GCADMM CC1(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)COC1 ZINC000736216061 598798267 /nfs/dbraw/zinc/79/82/67/598798267.db2.gz DDOUAPAYQHKXAT-UHFFFAOYSA-N -1 1 388.432 0.600 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000737202301 598808942 /nfs/dbraw/zinc/80/89/42/598808942.db2.gz ZWWPLBZGCWECES-ZDUSSCGKSA-N -1 1 397.443 0.972 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCC(=O)Nc2cccc(F)c2C)c1=O ZINC000821565163 599301654 /nfs/dbraw/zinc/30/16/54/599301654.db2.gz GSSXHBGPXLMQRZ-UHFFFAOYSA-N -1 1 387.375 0.686 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738355922 599303804 /nfs/dbraw/zinc/30/38/04/599303804.db2.gz VXOYPOSZVXZULV-LLVKDONJSA-N -1 1 398.876 0.615 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738355922 599303806 /nfs/dbraw/zinc/30/38/06/599303806.db2.gz VXOYPOSZVXZULV-LLVKDONJSA-N -1 1 398.876 0.615 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CCCO[C@H]2C(C)(C)C)n(C)c1=O ZINC000737597156 599305495 /nfs/dbraw/zinc/30/54/95/599305495.db2.gz QRGSQVMTJKNTHA-CMPLNLGQSA-N -1 1 377.449 0.517 20 0 GCADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1-n1cnnn1 ZINC000737105435 599315863 /nfs/dbraw/zinc/31/58/63/599315863.db2.gz GJTYQVNZFWQLAW-UHFFFAOYSA-N -1 1 399.396 0.652 20 0 GCADMM COc1ccccc1C[C@@H](C)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737151409 599323893 /nfs/dbraw/zinc/32/38/93/599323893.db2.gz BMRVQTKCCQWCMG-LLVKDONJSA-N -1 1 385.428 0.340 20 0 GCADMM COCCN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821691146 599335661 /nfs/dbraw/zinc/33/56/61/599335661.db2.gz KPODRQKOVZKPIH-UHFFFAOYSA-N -1 1 386.865 0.473 20 0 GCADMM COCCN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000821691146 599335664 /nfs/dbraw/zinc/33/56/64/599335664.db2.gz KPODRQKOVZKPIH-UHFFFAOYSA-N -1 1 386.865 0.473 20 0 GCADMM O=S(=O)(NCc1nnc2n1CCCCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000823582938 599337008 /nfs/dbraw/zinc/33/70/08/599337008.db2.gz DKSBUVJUCCHDBP-UHFFFAOYSA-N -1 1 392.420 0.802 20 0 GCADMM O=S(=O)(NCc1nnc2n1CCCCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000823582938 599337010 /nfs/dbraw/zinc/33/70/10/599337010.db2.gz DKSBUVJUCCHDBP-UHFFFAOYSA-N -1 1 392.420 0.802 20 0 GCADMM CC(C)c1nnc2n1CCN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000820211251 599341860 /nfs/dbraw/zinc/34/18/60/599341860.db2.gz FMZRKDVRWLPTTK-UHFFFAOYSA-N -1 1 392.420 0.925 20 0 GCADMM CC(C)c1nnc2n1CCN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000820211251 599341862 /nfs/dbraw/zinc/34/18/62/599341862.db2.gz FMZRKDVRWLPTTK-UHFFFAOYSA-N -1 1 392.420 0.925 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]1Cn1cncn1 ZINC000823606859 599345814 /nfs/dbraw/zinc/34/58/14/599345814.db2.gz OEENDOCLNZMPSZ-JTQLQIEISA-N -1 1 378.393 0.451 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]1Cn1cncn1 ZINC000823606859 599345815 /nfs/dbraw/zinc/34/58/15/599345815.db2.gz OEENDOCLNZMPSZ-JTQLQIEISA-N -1 1 378.393 0.451 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000823607894 599346325 /nfs/dbraw/zinc/34/63/25/599346325.db2.gz YJGHBTFRSFRCSC-SECBINFHSA-N -1 1 381.311 0.958 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000823607894 599346327 /nfs/dbraw/zinc/34/63/27/599346327.db2.gz YJGHBTFRSFRCSC-SECBINFHSA-N -1 1 381.311 0.958 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@@H](O)C(F)(F)F ZINC000737201791 599348445 /nfs/dbraw/zinc/34/84/45/599348445.db2.gz WFAHGRNJQHKOJX-SNVBAGLBSA-N -1 1 388.350 0.946 20 0 GCADMM C[C@H](Oc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)C(N)=O ZINC000820534579 599350674 /nfs/dbraw/zinc/35/06/74/599350674.db2.gz LNWAXBJQNVVQPM-VIFPVBQESA-N -1 1 390.381 0.282 20 0 GCADMM C[C@H](Oc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)C(N)=O ZINC000820534579 599350677 /nfs/dbraw/zinc/35/06/77/599350677.db2.gz LNWAXBJQNVVQPM-VIFPVBQESA-N -1 1 390.381 0.282 20 0 GCADMM Cc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cc1 ZINC000822240839 599352760 /nfs/dbraw/zinc/35/27/60/599352760.db2.gz AXTQXZOCEJEMOY-HNNXBMFYSA-N -1 1 399.436 0.654 20 0 GCADMM Cc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cc1 ZINC000822240839 599352761 /nfs/dbraw/zinc/35/27/61/599352761.db2.gz AXTQXZOCEJEMOY-HNNXBMFYSA-N -1 1 399.436 0.654 20 0 GCADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821669301 599356295 /nfs/dbraw/zinc/35/62/95/599356295.db2.gz FLOCTSBWHZGFHO-UHFFFAOYSA-N -1 1 393.381 0.604 20 0 GCADMM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821692497 599372531 /nfs/dbraw/zinc/37/25/31/599372531.db2.gz ZLHLOUJJPGMYNC-NSHDSACASA-N -1 1 385.421 0.679 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@](C)(O)C1CC1 ZINC000822459536 599489377 /nfs/dbraw/zinc/48/93/77/599489377.db2.gz RCVFQCVEIHCHQI-GOSISDBHSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@](C)(O)C1CC1 ZINC000822459536 599489379 /nfs/dbraw/zinc/48/93/79/599489379.db2.gz RCVFQCVEIHCHQI-GOSISDBHSA-N -1 1 384.444 0.736 20 0 GCADMM COCCCn1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000736988149 599503961 /nfs/dbraw/zinc/50/39/61/599503961.db2.gz PZUCYHOLLXOJMI-UHFFFAOYSA-N -1 1 389.424 0.159 20 0 GCADMM COCCCn1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000736988149 599503963 /nfs/dbraw/zinc/50/39/63/599503963.db2.gz PZUCYHOLLXOJMI-UHFFFAOYSA-N -1 1 389.424 0.159 20 0 GCADMM CCOC(=O)Cc1cccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000736598798 599536059 /nfs/dbraw/zinc/53/60/59/599536059.db2.gz HURUHQORIQOODI-UHFFFAOYSA-N -1 1 385.384 0.113 20 0 GCADMM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)[C@H]1CCN(C)C1=O ZINC000736852605 599588642 /nfs/dbraw/zinc/58/86/42/599588642.db2.gz RNHQJPIRSJMGOU-AWEZNQCLSA-N -1 1 395.427 0.153 20 0 GCADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)[C@H]1CCN(C)C1=O ZINC000736852605 599588644 /nfs/dbraw/zinc/58/86/44/599588644.db2.gz RNHQJPIRSJMGOU-AWEZNQCLSA-N -1 1 395.427 0.153 20 0 GCADMM CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736784083 599597067 /nfs/dbraw/zinc/59/70/67/599597067.db2.gz PVPOHCKWGKHGHC-UHFFFAOYSA-N -1 1 387.425 0.199 20 0 GCADMM CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736784083 599597069 /nfs/dbraw/zinc/59/70/69/599597069.db2.gz PVPOHCKWGKHGHC-UHFFFAOYSA-N -1 1 387.425 0.199 20 0 GCADMM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820220371 599662226 /nfs/dbraw/zinc/66/22/26/599662226.db2.gz SGBVNQBWTOFTGC-JTQLQIEISA-N -1 1 382.384 0.647 20 0 GCADMM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820220371 599662227 /nfs/dbraw/zinc/66/22/27/599662227.db2.gz SGBVNQBWTOFTGC-JTQLQIEISA-N -1 1 382.384 0.647 20 0 GCADMM C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)S1 ZINC000820804630 599682814 /nfs/dbraw/zinc/68/28/14/599682814.db2.gz WBYOLSOBESNZSK-SNVBAGLBSA-N -1 1 394.486 0.059 20 0 GCADMM C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)S1 ZINC000820804630 599682815 /nfs/dbraw/zinc/68/28/15/599682815.db2.gz WBYOLSOBESNZSK-SNVBAGLBSA-N -1 1 394.486 0.059 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc([C@H](C)OCC(C)C)no2)c1=O ZINC000821565544 599689852 /nfs/dbraw/zinc/68/98/52/599689852.db2.gz XYZBYLQYNYPRAH-JTQLQIEISA-N -1 1 390.404 0.375 20 0 GCADMM COc1ccc(CN2CCCN(C(=O)COC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cc1 ZINC000738004749 599702840 /nfs/dbraw/zinc/70/28/40/599702840.db2.gz UNYULHUOPGJEOS-SJORKVTESA-N -1 1 390.436 0.993 20 0 GCADMM CN1CCN(c2ncccc2CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000737528757 599774260 /nfs/dbraw/zinc/77/42/60/599774260.db2.gz DIIPEADGXPGCHV-UHFFFAOYSA-N -1 1 380.426 0.603 20 0 GCADMM CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000737088237 599776549 /nfs/dbraw/zinc/77/65/49/599776549.db2.gz HKNSLDYYLLAYLC-HNNXBMFYSA-N -1 1 394.453 0.866 20 0 GCADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3C(=O)[O-])cnc21 ZINC000485016851 599850380 /nfs/dbraw/zinc/85/03/80/599850380.db2.gz YMHVOBKGXAIZPD-UHFFFAOYSA-N -1 1 394.340 0.672 20 0 GCADMM CNC(=O)[C@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C ZINC000821631844 607408903 /nfs/dbraw/zinc/40/89/03/607408903.db2.gz VMTTTYSICLCODD-OAHLLOKOSA-N -1 1 399.459 0.346 20 0 GCADMM CNC(=O)[C@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C ZINC000821631844 607408905 /nfs/dbraw/zinc/40/89/05/607408905.db2.gz VMTTTYSICLCODD-OAHLLOKOSA-N -1 1 399.459 0.346 20 0 GCADMM O=C(CN1CCO[C@@H](C(=O)[O-])C1)Nc1cccc(CN2CCSCC2)c1 ZINC000676232206 599966633 /nfs/dbraw/zinc/96/66/33/599966633.db2.gz XCQQKVOFIVLMFE-MRXNPFEDSA-N -1 1 379.482 0.959 20 0 GCADMM CC[C@H]1CN(CCn2cccn2)CCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736943407 599968667 /nfs/dbraw/zinc/96/86/67/599968667.db2.gz MXMRJADOZYSJLA-KRWDZBQOSA-N -1 1 377.489 0.603 20 0 GCADMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000822267069 607409475 /nfs/dbraw/zinc/40/94/75/607409475.db2.gz NLOMIALYLSYKAR-UHFFFAOYSA-N -1 1 393.454 0.340 20 0 GCADMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000822267069 607409477 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O=S(=O)(NCc1nnc2n1CCC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492708 607582875 /nfs/dbraw/zinc/58/28/75/607582875.db2.gz ZIRDMEWAPNBRSP-UHFFFAOYSA-N -1 1 380.821 0.536 20 0 GCADMM O=S(=O)(NCc1nnc2n1CCC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492708 607582877 /nfs/dbraw/zinc/58/28/77/607582877.db2.gz ZIRDMEWAPNBRSP-UHFFFAOYSA-N -1 1 380.821 0.536 20 0 GCADMM O=C(C1CC1)N1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826398017 607582925 /nfs/dbraw/zinc/58/29/25/607582925.db2.gz OSZOMBUSOFSRLZ-UHFFFAOYSA-N -1 1 394.432 0.685 20 0 GCADMM CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824176863 607583360 /nfs/dbraw/zinc/58/33/60/607583360.db2.gz BHTJYRWUUIHEBN-UHFFFAOYSA-N -1 1 396.448 0.931 20 0 GCADMM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824413311 607593502 /nfs/dbraw/zinc/59/35/02/607593502.db2.gz KMSKFIUHJQBNQV-VIFPVBQESA-N -1 1 384.849 0.809 20 0 GCADMM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824413311 607593503 /nfs/dbraw/zinc/59/35/03/607593503.db2.gz KMSKFIUHJQBNQV-VIFPVBQESA-N -1 1 384.849 0.809 20 0 GCADMM NS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826394781 607598062 /nfs/dbraw/zinc/59/80/62/607598062.db2.gz ZDBSZRNJZMCUSF-UHFFFAOYSA-N -1 1 378.345 0.405 20 0 GCADMM NS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826394781 607598064 /nfs/dbraw/zinc/59/80/64/607598064.db2.gz ZDBSZRNJZMCUSF-UHFFFAOYSA-N -1 1 378.345 0.405 20 0 GCADMM NC(=O)Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826391864 607602260 /nfs/dbraw/zinc/60/22/60/607602260.db2.gz FAHYBJAAFFFWMG-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM NC(=O)Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826391864 607602261 /nfs/dbraw/zinc/60/22/61/607602261.db2.gz FAHYBJAAFFFWMG-UHFFFAOYSA-N -1 1 377.357 0.801 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)NC1CCCCC1 ZINC000826412894 607602341 /nfs/dbraw/zinc/60/23/41/607602341.db2.gz IGHYUJZNCODOGK-UHFFFAOYSA-N -1 1 382.421 0.733 20 0 GCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000826479677 607604716 /nfs/dbraw/zinc/60/47/16/607604716.db2.gz FOXQAXZIBVMJFD-UHFFFAOYSA-N -1 1 393.363 0.777 20 0 GCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000826479677 607604718 /nfs/dbraw/zinc/60/47/18/607604718.db2.gz FOXQAXZIBVMJFD-UHFFFAOYSA-N -1 1 393.363 0.777 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](C2OCCO2)C1 ZINC000826495234 607605644 /nfs/dbraw/zinc/60/56/44/607605644.db2.gz HYANRUBRMSBNOL-JTQLQIEISA-N -1 1 383.405 0.779 20 0 GCADMM CC1(C)COCCN1CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824812635 607606815 /nfs/dbraw/zinc/60/68/15/607606815.db2.gz NVBARJLBVNSFBK-UHFFFAOYSA-N -1 1 384.437 0.395 20 0 GCADMM CC1(C)COCCN1CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824812635 607606816 /nfs/dbraw/zinc/60/68/16/607606816.db2.gz NVBARJLBVNSFBK-UHFFFAOYSA-N -1 1 384.437 0.395 20 0 GCADMM CCc1nc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000825744572 607609660 /nfs/dbraw/zinc/60/96/60/607609660.db2.gz CYXXTYMEFQZSJR-UHFFFAOYSA-N -1 1 383.821 0.987 20 0 GCADMM CCc1nc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000825744572 607609662 /nfs/dbraw/zinc/60/96/62/607609662.db2.gz CYXXTYMEFQZSJR-UHFFFAOYSA-N -1 1 383.821 0.987 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H](C)N1CCOCC1 ZINC000824640454 607609933 /nfs/dbraw/zinc/60/99/33/607609933.db2.gz JAJPFZRDPOELMU-QWRGUYRKSA-N -1 1 384.437 0.393 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](C)N1CCOCC1 ZINC000824640454 607609935 /nfs/dbraw/zinc/60/99/35/607609935.db2.gz JAJPFZRDPOELMU-QWRGUYRKSA-N -1 1 384.437 0.393 20 0 GCADMM CC(C)(C)OC(=O)N1CC(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000824104856 607611411 /nfs/dbraw/zinc/61/14/11/607611411.db2.gz ZYQMEJAHUZRMRY-UHFFFAOYSA-N -1 1 390.400 0.941 20 0 GCADMM CC(C)(C)OC(=O)N1CC(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000824104856 607611412 /nfs/dbraw/zinc/61/14/12/607611412.db2.gz ZYQMEJAHUZRMRY-UHFFFAOYSA-N -1 1 390.400 0.941 20 0 GCADMM NC(=O)C1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826390199 607612317 /nfs/dbraw/zinc/61/23/17/607612317.db2.gz SOVKGOSTEBAQJI-UHFFFAOYSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)C1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826390199 607612319 /nfs/dbraw/zinc/61/23/19/607612319.db2.gz SOVKGOSTEBAQJI-UHFFFAOYSA-N -1 1 384.849 0.843 20 0 GCADMM O=S(=O)(NCCOC[C@@H]1CCOC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491407 607614086 /nfs/dbraw/zinc/61/40/86/607614086.db2.gz IJIXOUQGPRBXAU-SNVBAGLBSA-N -1 1 387.849 0.852 20 0 GCADMM O=S(=O)(NCCOC[C@@H]1CCOC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491407 607614087 /nfs/dbraw/zinc/61/40/87/607614087.db2.gz IJIXOUQGPRBXAU-SNVBAGLBSA-N -1 1 387.849 0.852 20 0 GCADMM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826157923 607615594 /nfs/dbraw/zinc/61/55/94/607615594.db2.gz RMASVLQKFDRWGL-UHFFFAOYSA-N -1 1 387.393 0.206 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825838721 607616876 /nfs/dbraw/zinc/61/68/76/607616876.db2.gz BMVZJQATLICFTI-MNOVXSKESA-N -1 1 396.448 0.931 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825838721 607616877 /nfs/dbraw/zinc/61/68/77/607616877.db2.gz BMVZJQATLICFTI-MNOVXSKESA-N -1 1 396.448 0.931 20 0 GCADMM CC(C)(C)[S@](=O)CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824124618 607617911 /nfs/dbraw/zinc/61/79/11/607617911.db2.gz WRTUUFODRAILDM-HSZRJFAPSA-N -1 1 375.451 0.831 20 0 GCADMM CC(C)(C)[S@](=O)CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824124618 607617913 /nfs/dbraw/zinc/61/79/13/607617913.db2.gz WRTUUFODRAILDM-HSZRJFAPSA-N -1 1 375.451 0.831 20 0 GCADMM C[S@@](=O)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826224450 607618308 /nfs/dbraw/zinc/61/83/08/607618308.db2.gz DTCBHTQLJAJZBX-XMMPIXPASA-N -1 1 397.404 0.932 20 0 GCADMM CNc1cc2c(nn1)CCN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000826090137 607618747 /nfs/dbraw/zinc/61/87/47/607618747.db2.gz CVDRFRLHPLHYHF-UHFFFAOYSA-N -1 1 390.404 0.585 20 0 GCADMM CNc1cc2c(nn1)CCN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000826090137 607618749 /nfs/dbraw/zinc/61/87/49/607618749.db2.gz CVDRFRLHPLHYHF-UHFFFAOYSA-N -1 1 390.404 0.585 20 0 GCADMM O=S(=O)(NC[C@H](O)COc1cccc(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489523 607625435 /nfs/dbraw/zinc/62/54/35/607625435.db2.gz SATWITOUOFDHGT-NSHDSACASA-N -1 1 394.388 0.119 20 0 GCADMM O=S(=O)(NC[C@H](O)COc1cccc(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489523 607625436 /nfs/dbraw/zinc/62/54/36/607625436.db2.gz SATWITOUOFDHGT-NSHDSACASA-N -1 1 394.388 0.119 20 0 GCADMM COc1ccc([C@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826188963 607626091 /nfs/dbraw/zinc/62/60/91/607626091.db2.gz KMOGVVGTTLKICN-CQSZACIVSA-N -1 1 376.398 0.282 20 0 GCADMM COc1ccc([C@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826188963 607626093 /nfs/dbraw/zinc/62/60/93/607626093.db2.gz KMOGVVGTTLKICN-CQSZACIVSA-N -1 1 376.398 0.282 20 0 GCADMM COc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826219134 607626731 /nfs/dbraw/zinc/62/67/31/607626731.db2.gz ULHHTQODZXJWGU-CYBMUJFWSA-N -1 1 376.398 0.282 20 0 GCADMM COc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826219134 607626733 /nfs/dbraw/zinc/62/67/33/607626733.db2.gz ULHHTQODZXJWGU-CYBMUJFWSA-N -1 1 376.398 0.282 20 0 GCADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824707375 607632042 /nfs/dbraw/zinc/63/20/42/607632042.db2.gz REIWVWWRTUUCHN-SNVBAGLBSA-N -1 1 386.865 0.207 20 0 GCADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824707375 607632043 /nfs/dbraw/zinc/63/20/43/607632043.db2.gz REIWVWWRTUUCHN-SNVBAGLBSA-N -1 1 386.865 0.207 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826494602 607634827 /nfs/dbraw/zinc/63/48/27/607634827.db2.gz JEAKYWIYRMDHTE-ZJUUUORDSA-N -1 1 378.336 0.338 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826494602 607634829 /nfs/dbraw/zinc/63/48/29/607634829.db2.gz JEAKYWIYRMDHTE-ZJUUUORDSA-N -1 1 378.336 0.338 20 0 GCADMM CSC[C@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826226720 607639862 /nfs/dbraw/zinc/63/98/62/607639862.db2.gz FGVDAWDEIQKGAV-GFCCVEGCSA-N -1 1 377.879 0.912 20 0 GCADMM CSC[C@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826226720 607639864 /nfs/dbraw/zinc/63/98/64/607639864.db2.gz FGVDAWDEIQKGAV-GFCCVEGCSA-N -1 1 377.879 0.912 20 0 GCADMM NC(=O)COc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826391230 607640138 /nfs/dbraw/zinc/64/01/38/607640138.db2.gz BISUMZVZFLSYHW-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM NC(=O)COc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826391230 607640140 /nfs/dbraw/zinc/64/01/40/607640140.db2.gz BISUMZVZFLSYHW-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826495353 607653628 /nfs/dbraw/zinc/65/36/28/607653628.db2.gz MVDRRIWWXOMDMS-LLVKDONJSA-N -1 1 381.311 0.694 20 0 GCADMM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1=O ZINC000824899424 607653739 /nfs/dbraw/zinc/65/37/39/607653739.db2.gz JQBWEFHKZXYCSJ-QRTLGDNMSA-N -1 1 380.405 0.293 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](n2cncn2)C1 ZINC000826495512 607656818 /nfs/dbraw/zinc/65/68/18/607656818.db2.gz RVYZOGJRNGNFSM-LLVKDONJSA-N -1 1 378.393 0.623 20 0 GCADMM CC(=O)N[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823989074 607662771 /nfs/dbraw/zinc/66/27/71/607662771.db2.gz MATORBNXQDSPTH-ZDUSSCGKSA-N -1 1 399.436 0.518 20 0 GCADMM CC(=O)N[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823989074 607662773 /nfs/dbraw/zinc/66/27/73/607662773.db2.gz MATORBNXQDSPTH-ZDUSSCGKSA-N -1 1 399.436 0.518 20 0 GCADMM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826390157 607662848 /nfs/dbraw/zinc/66/28/48/607662848.db2.gz RGKGRNQUVPIYQD-WCBMZHEXSA-N -1 1 384.849 0.843 20 0 GCADMM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826390157 607662849 /nfs/dbraw/zinc/66/28/49/607662849.db2.gz RGKGRNQUVPIYQD-WCBMZHEXSA-N -1 1 384.849 0.843 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000824991551 607664952 /nfs/dbraw/zinc/66/49/52/607664952.db2.gz CGLICCSJVMTVRL-BXUZGUMPSA-N -1 1 396.448 0.347 20 0 GCADMM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825750337 607668680 /nfs/dbraw/zinc/66/86/80/607668680.db2.gz QKJXRPCVRPPMKX-JTQLQIEISA-N -1 1 392.420 0.973 20 0 GCADMM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825750337 607668682 /nfs/dbraw/zinc/66/86/82/607668682.db2.gz QKJXRPCVRPPMKX-JTQLQIEISA-N -1 1 392.420 0.973 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]2CCCC[C@H]2N1 ZINC000826481330 607671253 /nfs/dbraw/zinc/67/12/53/607671253.db2.gz PZZWANYOCPHNBX-MNOVXSKESA-N -1 1 396.860 0.952 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]2CCCC[C@H]2N1 ZINC000826481330 607671254 /nfs/dbraw/zinc/67/12/54/607671254.db2.gz PZZWANYOCPHNBX-MNOVXSKESA-N -1 1 396.860 0.952 20 0 GCADMM CC(C)N1C(=O)N[C@]2(CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)C1=O ZINC000824297076 607676199 /nfs/dbraw/zinc/67/61/99/607676199.db2.gz PSDYGWUZOJGSFR-HNNXBMFYSA-N -1 1 376.808 0.824 20 0 GCADMM CC(C)N1C(=O)N[C@]2(CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)C1=O ZINC000824297076 607676200 /nfs/dbraw/zinc/67/62/00/607676200.db2.gz PSDYGWUZOJGSFR-HNNXBMFYSA-N -1 1 376.808 0.824 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@H]1CN(C)CCO1 ZINC000824640486 607676275 /nfs/dbraw/zinc/67/62/75/607676275.db2.gz JTFGOGZEKUMSDC-GXSJLCMTSA-N -1 1 386.865 0.518 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@H]1CN(C)CCO1 ZINC000824640486 607676276 /nfs/dbraw/zinc/67/62/76/607676276.db2.gz JTFGOGZEKUMSDC-GXSJLCMTSA-N -1 1 386.865 0.518 20 0 GCADMM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825583797 607676559 /nfs/dbraw/zinc/67/65/59/607676559.db2.gz XMQWDZPRMDBTBC-LLVKDONJSA-N -1 1 387.393 0.204 20 0 GCADMM O=S(=O)(NCC1(CO)CCOCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490524 607680501 /nfs/dbraw/zinc/68/05/01/607680501.db2.gz YBDZZNMRVOZBNA-UHFFFAOYSA-N -1 1 387.849 0.588 20 0 GCADMM O=S(=O)(NCC1(CO)CCOCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490524 607680502 /nfs/dbraw/zinc/68/05/02/607680502.db2.gz YBDZZNMRVOZBNA-UHFFFAOYSA-N -1 1 387.849 0.588 20 0 GCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000827379681 604297091 /nfs/dbraw/zinc/29/70/91/604297091.db2.gz JOFWAHQYHOJUNQ-HXPMCKFVSA-N -1 1 388.424 0.362 20 0 GCADMM COC(=O)CNC(=O)CCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831175858 604358746 /nfs/dbraw/zinc/35/87/46/604358746.db2.gz SCDKEQNHKDSSCR-KRWDZBQOSA-N -1 1 397.859 0.763 20 0 GCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000827380297 604546316 /nfs/dbraw/zinc/54/63/16/604546316.db2.gz QVIBVNZJXNOYNN-AWEZNQCLSA-N -1 1 391.472 0.563 20 0 GCADMM CCNC(=O)NC(=O)[C@H](C)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833656621 604618847 /nfs/dbraw/zinc/61/88/47/604618847.db2.gz FQASATWHXIZURZ-IFXJQAMLSA-N -1 1 376.457 0.930 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC(O)(C(=O)[O-])CC3)CC2)C1 ZINC000833614411 604728854 /nfs/dbraw/zinc/72/88/54/604728854.db2.gz HGVZHAGVSVWXJD-OAHLLOKOSA-N -1 1 395.500 0.395 20 0 GCADMM C[C@@H](CN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)C1CC1)C(=O)[O-] ZINC000827450628 604740513 /nfs/dbraw/zinc/74/05/13/604740513.db2.gz YWUCFPJFIGWCKS-NWDGAFQWSA-N -1 1 395.481 0.797 20 0 GCADMM CC[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CCN1C[C@H](C)O ZINC000829140322 604752994 /nfs/dbraw/zinc/75/29/94/604752994.db2.gz DATFPHFWLDWRFR-IPELMVKDSA-N -1 1 389.496 0.802 20 0 GCADMM COc1cc(OC)cc([C@@H](NCCNS(=O)(=O)c2cccnc2)C(=O)[O-])c1 ZINC000832058292 604776607 /nfs/dbraw/zinc/77/66/07/604776607.db2.gz YJEXVGNTISIJDS-MRXNPFEDSA-N -1 1 395.437 0.793 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000833767628 604897616 /nfs/dbraw/zinc/89/76/16/604897616.db2.gz LIFCXCIDPJRVQG-JKSUJKDBSA-N -1 1 376.388 0.734 20 0 GCADMM COC[C@@](C)(CC(=O)OC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833722095 604954351 /nfs/dbraw/zinc/95/43/51/604954351.db2.gz ZODVKGQELNGEKN-HNAYVOBHSA-N -1 1 378.425 0.582 20 0 GCADMM CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CCC[C@@H]1CC(=O)[O-] ZINC000830626797 604980624 /nfs/dbraw/zinc/98/06/24/604980624.db2.gz RGHQFVSPDDMWNF-LLVKDONJSA-N -1 1 383.426 0.741 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833402453 604982075 /nfs/dbraw/zinc/98/20/75/604982075.db2.gz MQOWKUWWDUJPAT-XUWXXGDYSA-N -1 1 392.452 0.831 20 0 GCADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000833414243 604984728 /nfs/dbraw/zinc/98/47/28/604984728.db2.gz JWDRVHNXULSMKR-IRXDYDNUSA-N -1 1 396.532 0.925 20 0 GCADMM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CCc4nc[nH]c4C3)cc2)[nH]1 ZINC000833776037 604993631 /nfs/dbraw/zinc/99/36/31/604993631.db2.gz PJFZKXXXVBHYFR-LBPRGKRZSA-N -1 1 381.392 0.803 20 0 GCADMM CCc1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])n[nH]1 ZINC000833673561 605004976 /nfs/dbraw/zinc/00/49/76/605004976.db2.gz KPWNMCBEHDXPRQ-LURJTMIESA-N -1 1 388.427 0.953 20 0 GCADMM Cc1cnc(N)c(S(=O)(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)c1 ZINC000833754050 605007047 /nfs/dbraw/zinc/00/70/47/605007047.db2.gz MSRPIKBLKYNBES-UHFFFAOYSA-N -1 1 378.410 0.516 20 0 GCADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3cncc(C(=O)[O-])c3)CC2)C1 ZINC000833502652 605030167 /nfs/dbraw/zinc/03/01/67/605030167.db2.gz SYXQCLNAKWLVFL-KRWDZBQOSA-N -1 1 376.457 0.647 20 0 GCADMM O=C([O-])C1(O)CCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000833770158 605034300 /nfs/dbraw/zinc/03/43/00/605034300.db2.gz YRVJJJBIXJUUQH-UHFFFAOYSA-N -1 1 382.323 0.877 20 0 GCADMM O=C([O-])c1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c[n-]1 ZINC000702603430 605038888 /nfs/dbraw/zinc/03/88/88/605038888.db2.gz AEOGDFKHBOHMAC-QGZVFWFLSA-N -1 1 379.438 0.628 20 0 GCADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1 ZINC000833714946 605052175 /nfs/dbraw/zinc/05/21/75/605052175.db2.gz MBPWCUYJJHXBSP-UHFFFAOYSA-N -1 1 380.382 0.828 20 0 GCADMM COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833725789 605056812 /nfs/dbraw/zinc/05/68/12/605056812.db2.gz HOOXHOCADILOOH-QWHCGFSZSA-N -1 1 380.449 0.450 20 0 GCADMM C[C@H](Oc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1)C(=O)[O-] ZINC000833542590 605093835 /nfs/dbraw/zinc/09/38/35/605093835.db2.gz UYRMWFRDIHAIEW-IAOVAPTHSA-N -1 1 398.481 0.126 20 0 GCADMM COc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)ccc1OCC(N)=O ZINC000833727181 605097497 /nfs/dbraw/zinc/09/74/97/605097497.db2.gz RFUNIQYHSDSGCY-GFCCVEGCSA-N -1 1 379.413 0.180 20 0 GCADMM CC(=O)N1C[C@H](C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)Oc2ccccc21 ZINC000833393835 605107022 /nfs/dbraw/zinc/10/70/22/605107022.db2.gz SOTAHMLRFVRIKB-SUMWQHHRSA-N -1 1 375.425 0.808 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000833618529 605114629 /nfs/dbraw/zinc/11/46/29/605114629.db2.gz CCSISAPMBONFRJ-WBVHZDCISA-N -1 1 388.468 0.941 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2([C@H](O)c3ccccc3)CC2)n(C)c1=O ZINC000826355915 607735202 /nfs/dbraw/zinc/73/52/02/607735202.db2.gz SKMZFCNGXHORNC-CYBMUJFWSA-N -1 1 383.412 0.190 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCNC(=O)c1ccccc1 ZINC000833626858 605137544 /nfs/dbraw/zinc/13/75/44/605137544.db2.gz SBWUJGGSLHXBIC-HNNXBMFYSA-N -1 1 376.457 0.997 20 0 GCADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000833621120 605160545 /nfs/dbraw/zinc/16/05/45/605160545.db2.gz MGUSCSCJXGQJCQ-TUVASFSCSA-N -1 1 379.457 0.558 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000833625683 605165648 /nfs/dbraw/zinc/16/56/48/605165648.db2.gz XHWDAQCKUTWNPX-SJLPKXTDSA-N -1 1 375.469 0.895 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000833628136 605196832 /nfs/dbraw/zinc/19/68/32/605196832.db2.gz BPXXFXJNGFUOOH-CYBMUJFWSA-N -1 1 383.470 0.509 20 0 GCADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000833629600 605197497 /nfs/dbraw/zinc/19/74/97/605197497.db2.gz YBYFZNFOOJJZDB-INIZCTEOSA-N -1 1 390.484 0.943 20 0 GCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000833629601 605197829 /nfs/dbraw/zinc/19/78/29/605197829.db2.gz YBYFZNFOOJJZDB-MRXNPFEDSA-N -1 1 390.484 0.943 20 0 GCADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc(S(N)(=O)=O)c1C ZINC000833742157 605206245 /nfs/dbraw/zinc/20/62/45/605206245.db2.gz GJTPWTKRIYADMX-LBPRGKRZSA-N -1 1 383.470 0.572 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCN1CCC(=O)[O-] ZINC000833621494 605252316 /nfs/dbraw/zinc/25/23/16/605252316.db2.gz KBYJQALPKXPKDM-CYBMUJFWSA-N -1 1 395.481 0.748 20 0 GCADMM CC(C)CN1CCO[C@H](CNC(=O)Cn2nc(C(=O)[O-])c3c2CCCC3)C1 ZINC000833489279 605297739 /nfs/dbraw/zinc/29/77/39/605297739.db2.gz ZCWYVYAEYGMFLL-CQSZACIVSA-N -1 1 378.473 0.933 20 0 GCADMM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000833702106 605550178 /nfs/dbraw/zinc/55/01/78/605550178.db2.gz QKJVEFJAINJPJR-KRWDZBQOSA-N -1 1 392.452 0.758 20 0 GCADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2nc[nH]n2)no1 ZINC000824200753 607767721 /nfs/dbraw/zinc/76/77/21/607767721.db2.gz UQRJAISZCODMSJ-JTQLQIEISA-N -1 1 381.360 0.557 20 0 GCADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2nc[nH]n2)no1 ZINC000824200753 607767722 /nfs/dbraw/zinc/76/77/22/607767722.db2.gz UQRJAISZCODMSJ-JTQLQIEISA-N -1 1 381.360 0.557 20 0 GCADMM COC(=O)[C@@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)[C@@H](C(=O)[O-])C1 ZINC000833706458 605680805 /nfs/dbraw/zinc/68/08/05/605680805.db2.gz HFIVTPVUBSLGLU-ZYHUDNBSSA-N -1 1 381.410 0.347 20 0 GCADMM COC(=O)[C@@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)[C@H](C(=O)[O-])C1 ZINC000833706455 605681149 /nfs/dbraw/zinc/68/11/49/605681149.db2.gz HFIVTPVUBSLGLU-PWSUYJOCSA-N -1 1 381.410 0.347 20 0 GCADMM Cc1nc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000830704717 605717031 /nfs/dbraw/zinc/71/70/31/605717031.db2.gz PTBZKJHKQWVOTO-ZETCQYMHSA-N -1 1 388.310 0.585 20 0 GCADMM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000833709650 605768251 /nfs/dbraw/zinc/76/82/51/605768251.db2.gz UINWUYSXPLOYJX-NKWVEPMBSA-N -1 1 377.469 0.784 20 0 GCADMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833488616 605882540 /nfs/dbraw/zinc/88/25/40/605882540.db2.gz SIEGXRKSBUXUFS-LBPRGKRZSA-N -1 1 381.404 0.935 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000822542450 606066544 /nfs/dbraw/zinc/06/65/44/606066544.db2.gz XUOAWOYBUGEQLO-KOLCDFICSA-N -1 1 397.461 0.156 20 0 GCADMM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)Cc1cnccn1 ZINC000821593699 606075124 /nfs/dbraw/zinc/07/51/24/606075124.db2.gz GBVNKMIANKJQKB-UHFFFAOYSA-N -1 1 390.411 0.913 20 0 GCADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)Cc1cnccn1 ZINC000821593699 606075130 /nfs/dbraw/zinc/07/51/30/606075130.db2.gz GBVNKMIANKJQKB-UHFFFAOYSA-N -1 1 390.411 0.913 20 0 GCADMM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819796693 606139124 /nfs/dbraw/zinc/13/91/24/606139124.db2.gz NHFSFUIPFSIXKX-VIFPVBQESA-N -1 1 378.414 0.164 20 0 GCADMM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819796693 606139125 /nfs/dbraw/zinc/13/91/25/606139125.db2.gz NHFSFUIPFSIXKX-VIFPVBQESA-N -1 1 378.414 0.164 20 0 GCADMM CCO[C@H](CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C1CCCC1 ZINC000821351155 606143699 /nfs/dbraw/zinc/14/36/99/606143699.db2.gz MFJSKUOZFJOOSR-GFCCVEGCSA-N -1 1 377.449 0.661 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccnc(OC3CCOCC3)c2)n1 ZINC000822620457 606156408 /nfs/dbraw/zinc/15/64/08/606156408.db2.gz RJQDJDRLQZNZRV-UHFFFAOYSA-N -1 1 399.415 0.875 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccnc(OC3CCOCC3)c2)n1 ZINC000822620457 606156410 /nfs/dbraw/zinc/15/64/10/606156410.db2.gz RJQDJDRLQZNZRV-UHFFFAOYSA-N -1 1 399.415 0.875 20 0 GCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(S(N)(=O)=O)cc1 ZINC000820379334 606159411 /nfs/dbraw/zinc/15/94/11/606159411.db2.gz ARXAHSKMWXEMPC-QMMMGPOBSA-N -1 1 391.417 0.130 20 0 GCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(S(N)(=O)=O)cc1 ZINC000820379334 606159412 /nfs/dbraw/zinc/15/94/12/606159412.db2.gz ARXAHSKMWXEMPC-QMMMGPOBSA-N -1 1 391.417 0.130 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)n1 ZINC000822613096 606159428 /nfs/dbraw/zinc/15/94/28/606159428.db2.gz AJEWRGPSKQVRLE-JTQLQIEISA-N -1 1 396.415 0.100 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)n1 ZINC000822613096 606159429 /nfs/dbraw/zinc/15/94/29/606159429.db2.gz AJEWRGPSKQVRLE-JTQLQIEISA-N -1 1 396.415 0.100 20 0 GCADMM CNC(=O)COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821633834 606162596 /nfs/dbraw/zinc/16/25/96/606162596.db2.gz GCEBBVCQUPKHGK-UHFFFAOYSA-N -1 1 385.388 0.047 20 0 GCADMM CNC(=O)COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821633834 606162598 /nfs/dbraw/zinc/16/25/98/606162598.db2.gz GCEBBVCQUPKHGK-UHFFFAOYSA-N -1 1 385.388 0.047 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCNC(=O)c2cccc(F)c2)n1 ZINC000822614735 606164139 /nfs/dbraw/zinc/16/41/39/606164139.db2.gz QPSZWTMHTUQFGI-UHFFFAOYSA-N -1 1 387.379 0.681 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCNC(=O)c2cccc(F)c2)n1 ZINC000822614735 606164142 /nfs/dbraw/zinc/16/41/42/606164142.db2.gz QPSZWTMHTUQFGI-UHFFFAOYSA-N -1 1 387.379 0.681 20 0 GCADMM CCCCNC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821066105 606167172 /nfs/dbraw/zinc/16/71/72/606167172.db2.gz QITMMBAURNFDOD-UHFFFAOYSA-N -1 1 375.437 0.760 20 0 GCADMM CCCCNC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821066105 606167173 /nfs/dbraw/zinc/16/71/73/606167173.db2.gz QITMMBAURNFDOD-UHFFFAOYSA-N -1 1 375.437 0.760 20 0 GCADMM Cc1ccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)nn1 ZINC000822241138 606170103 /nfs/dbraw/zinc/17/01/03/606170103.db2.gz MBDSESVQDOFAKS-NSHDSACASA-N -1 1 383.420 0.489 20 0 GCADMM Cc1ccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)nn1 ZINC000822241138 606170104 /nfs/dbraw/zinc/17/01/04/606170104.db2.gz MBDSESVQDOFAKS-NSHDSACASA-N -1 1 383.420 0.489 20 0 GCADMM CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821065472 606170940 /nfs/dbraw/zinc/17/09/40/606170940.db2.gz JNOVLSANYPHBST-LLVKDONJSA-N -1 1 375.437 0.760 20 0 GCADMM CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821065472 606170942 /nfs/dbraw/zinc/17/09/42/606170942.db2.gz JNOVLSANYPHBST-LLVKDONJSA-N -1 1 375.437 0.760 20 0 GCADMM CCc1cnc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)s1 ZINC000821499762 606173090 /nfs/dbraw/zinc/17/30/90/606173090.db2.gz PZOAHJATVWUSMX-UHFFFAOYSA-N -1 1 388.461 0.973 20 0 GCADMM CCc1cnc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)s1 ZINC000821499762 606173091 /nfs/dbraw/zinc/17/30/91/606173091.db2.gz PZOAHJATVWUSMX-UHFFFAOYSA-N -1 1 388.461 0.973 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H](O)C(F)(F)F ZINC000822459811 606194700 /nfs/dbraw/zinc/19/47/00/606194700.db2.gz XMPHDJXFYPEAAW-NSHDSACASA-N -1 1 398.349 0.498 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H](O)C(F)(F)F ZINC000822459811 606194702 /nfs/dbraw/zinc/19/47/02/606194702.db2.gz XMPHDJXFYPEAAW-NSHDSACASA-N -1 1 398.349 0.498 20 0 GCADMM C[C@]1(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2)NC(=O)NC1=O ZINC000820629594 606196910 /nfs/dbraw/zinc/19/69/10/606196910.db2.gz YKQKXNZOPOIKLM-GOSISDBHSA-N -1 1 393.363 0.879 20 0 GCADMM C[C@@]1(C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)NC(=O)NC1=O ZINC000820613151 606198241 /nfs/dbraw/zinc/19/82/41/606198241.db2.gz UOWIEXUMOSZKQE-HNNXBMFYSA-N -1 1 376.808 0.730 20 0 GCADMM C[C@@]1(C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)NC(=O)NC1=O ZINC000820613151 606198243 /nfs/dbraw/zinc/19/82/43/606198243.db2.gz UOWIEXUMOSZKQE-HNNXBMFYSA-N -1 1 376.808 0.730 20 0 GCADMM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000821675890 606202525 /nfs/dbraw/zinc/20/25/25/606202525.db2.gz VUQJMHJPUONNCM-QMMMGPOBSA-N -1 1 397.392 0.917 20 0 GCADMM O=C(CCNc1cccc(-c2nnn[n-]2)n1)N1CCN(c2ncccn2)CC1 ZINC000822969052 606217477 /nfs/dbraw/zinc/21/74/77/606217477.db2.gz HAYSCHSLXWMAGQ-UHFFFAOYSA-N -1 1 380.416 0.203 20 0 GCADMM O=C(CCNc1cccc(-c2nn[n-]n2)n1)N1CCN(c2ncccn2)CC1 ZINC000822969052 606217478 /nfs/dbraw/zinc/21/74/78/606217478.db2.gz HAYSCHSLXWMAGQ-UHFFFAOYSA-N -1 1 380.416 0.203 20 0 GCADMM COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1OCC(N)=O ZINC000821703303 606293152 /nfs/dbraw/zinc/29/31/52/606293152.db2.gz YOBHIRNDDZIYGM-UHFFFAOYSA-N -1 1 384.352 0.697 20 0 GCADMM CCOC(Cn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1)OCC ZINC000821351118 606293866 /nfs/dbraw/zinc/29/38/66/606293866.db2.gz LHEHPZCNDXCGMF-UHFFFAOYSA-N -1 1 388.388 0.815 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000822534812 606294586 /nfs/dbraw/zinc/29/45/86/606294586.db2.gz AENYHDUAKHXDKG-NSHDSACASA-N -1 1 397.395 0.825 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000822534812 606294587 /nfs/dbraw/zinc/29/45/87/606294587.db2.gz AENYHDUAKHXDKG-NSHDSACASA-N -1 1 397.395 0.825 20 0 GCADMM O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822997390 606295867 /nfs/dbraw/zinc/29/58/67/606295867.db2.gz QGGUDZLFKPHVIM-UHFFFAOYSA-N -1 1 380.412 0.728 20 0 GCADMM COC(=O)CC1=NC(=S)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C1C(=O)OC ZINC000821658708 606395850 /nfs/dbraw/zinc/39/58/50/606395850.db2.gz FYPSHINNVWQAKM-NSHDSACASA-N -1 1 394.438 0.437 20 0 GCADMM COC(=O)CC1=NC(=S)N[C@H](c2ccc(-c3nn[n-]n3)s2)C1C(=O)OC ZINC000821658707 606395981 /nfs/dbraw/zinc/39/59/81/606395981.db2.gz FYPSHINNVWQAKM-LLVKDONJSA-N -1 1 394.438 0.437 20 0 GCADMM CCCCO[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821072233 606402749 /nfs/dbraw/zinc/40/27/49/606402749.db2.gz RZXJSWNRMHLJLS-WDEREUQCSA-N -1 1 377.449 0.660 20 0 GCADMM CCCCO[C@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(C)C ZINC000821071726 606422206 /nfs/dbraw/zinc/42/22/06/606422206.db2.gz KRWNQEZTGJRRLX-NEPJUHHUSA-N -1 1 391.476 0.684 20 0 GCADMM CNC(=O)CCOC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000821632649 606427299 /nfs/dbraw/zinc/42/72/99/606427299.db2.gz BTQBFGWVXFDRQH-UHFFFAOYSA-N -1 1 382.428 0.931 20 0 GCADMM CNC(=O)CCOC1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000821632649 606427301 /nfs/dbraw/zinc/42/73/01/606427301.db2.gz BTQBFGWVXFDRQH-UHFFFAOYSA-N -1 1 382.428 0.931 20 0 GCADMM CC[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1cccc(C)c1 ZINC000820909362 606427620 /nfs/dbraw/zinc/42/76/20/606427620.db2.gz VALSEFRKLIHSNI-GFCCVEGCSA-N -1 1 385.428 0.842 20 0 GCADMM CCN1C(=O)[C@@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCN2C1=O ZINC000821240089 606430477 /nfs/dbraw/zinc/43/04/77/606430477.db2.gz DWEIAUCOLRTYGB-HNNXBMFYSA-N -1 1 378.396 0.888 20 0 GCADMM CCN1C(=O)[C@@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCN2C1=O ZINC000821240089 606430478 /nfs/dbraw/zinc/43/04/78/606430478.db2.gz DWEIAUCOLRTYGB-HNNXBMFYSA-N -1 1 378.396 0.888 20 0 GCADMM CCN1C(=O)[C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCN2C1=O ZINC000821240087 606430740 /nfs/dbraw/zinc/43/07/40/606430740.db2.gz DUFIBTHPSLCOCD-LBPRGKRZSA-N -1 1 379.384 0.283 20 0 GCADMM CCN1C(=O)[C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCN2C1=O ZINC000821240087 606430741 /nfs/dbraw/zinc/43/07/41/606430741.db2.gz DUFIBTHPSLCOCD-LBPRGKRZSA-N -1 1 379.384 0.283 20 0 GCADMM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000821653823 606434122 /nfs/dbraw/zinc/43/41/22/606434122.db2.gz MCALXHCHVOCBNM-ZDUSSCGKSA-N -1 1 389.796 0.796 20 0 GCADMM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821653823 606434124 /nfs/dbraw/zinc/43/41/24/606434124.db2.gz MCALXHCHVOCBNM-ZDUSSCGKSA-N -1 1 389.796 0.796 20 0 GCADMM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821653466 606434186 /nfs/dbraw/zinc/43/41/86/606434186.db2.gz BXSPAAFWENRGRP-ZDUSSCGKSA-N -1 1 389.796 0.796 20 0 GCADMM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821657435 606434256 /nfs/dbraw/zinc/43/42/56/606434256.db2.gz NVQBYUIVMIRCCX-SNVBAGLBSA-N -1 1 387.805 0.083 20 0 GCADMM C[C@]1([C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)NC(=O)NC1=O ZINC000820612752 606470084 /nfs/dbraw/zinc/47/00/84/606470084.db2.gz IHFBQEAGEBMCJT-ANRSDYALSA-N -1 1 376.808 0.730 20 0 GCADMM C[C@]1([C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)NC(=O)NC1=O ZINC000820612752 606470085 /nfs/dbraw/zinc/47/00/85/606470085.db2.gz IHFBQEAGEBMCJT-ANRSDYALSA-N -1 1 376.808 0.730 20 0 GCADMM CCOc1ncnc2c1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000821442968 606471770 /nfs/dbraw/zinc/47/17/70/606471770.db2.gz ZHLUZSXDEODOAX-UHFFFAOYSA-N -1 1 388.413 0.197 20 0 GCADMM CCOc1ncnc2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000821442968 606471771 /nfs/dbraw/zinc/47/17/71/606471771.db2.gz ZHLUZSXDEODOAX-UHFFFAOYSA-N -1 1 388.413 0.197 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000823478953 606492840 /nfs/dbraw/zinc/49/28/40/606492840.db2.gz XPGHJOOXEFDKGW-GHMZBOCLSA-N -1 1 397.482 0.737 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000823478953 606492841 /nfs/dbraw/zinc/49/28/41/606492841.db2.gz XPGHJOOXEFDKGW-GHMZBOCLSA-N -1 1 397.482 0.737 20 0 GCADMM O=C(CNC(=O)c1ccc(Br)o1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823005358 606531010 /nfs/dbraw/zinc/53/10/10/606531010.db2.gz NROJPKXZLAHBOU-UHFFFAOYSA-N -1 1 381.150 0.314 20 0 GCADMM O=C(CNC(=O)c1ccc(Br)o1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823005358 606531011 /nfs/dbraw/zinc/53/10/11/606531011.db2.gz NROJPKXZLAHBOU-UHFFFAOYSA-N -1 1 381.150 0.314 20 0 GCADMM NC(=O)c1cccnc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822890243 606539722 /nfs/dbraw/zinc/53/97/22/606539722.db2.gz QGCTWLWAQLZMEO-UHFFFAOYSA-N -1 1 384.425 0.385 20 0 GCADMM NC(=O)c1cccnc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822890243 606539724 /nfs/dbraw/zinc/53/97/24/606539724.db2.gz QGCTWLWAQLZMEO-UHFFFAOYSA-N -1 1 384.425 0.385 20 0 GCADMM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000820628629 606545149 /nfs/dbraw/zinc/54/51/49/606545149.db2.gz JYTPPUPKOPPPDX-KRWDZBQOSA-N -1 1 397.420 0.913 20 0 GCADMM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000820628629 606545151 /nfs/dbraw/zinc/54/51/51/606545151.db2.gz JYTPPUPKOPPPDX-KRWDZBQOSA-N -1 1 397.420 0.913 20 0 GCADMM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822868573 606549549 /nfs/dbraw/zinc/54/95/49/606549549.db2.gz DVNOZPURSVEPEX-UHFFFAOYSA-N -1 1 385.409 0.786 20 0 GCADMM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822868573 606549551 /nfs/dbraw/zinc/54/95/51/606549551.db2.gz DVNOZPURSVEPEX-UHFFFAOYSA-N -1 1 385.409 0.786 20 0 GCADMM O=C(CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)N1CCCC1 ZINC000822996425 606560760 /nfs/dbraw/zinc/56/07/60/606560760.db2.gz DHQOTYUMYPQXDR-UHFFFAOYSA-N -1 1 389.485 0.699 20 0 GCADMM Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)n(C)n1 ZINC000822206997 606577854 /nfs/dbraw/zinc/57/78/54/606577854.db2.gz HNVSEKFJXGGJBG-JTQLQIEISA-N -1 1 386.441 0.896 20 0 GCADMM Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)n(C)n1 ZINC000822206997 606577856 /nfs/dbraw/zinc/57/78/56/606577856.db2.gz HNVSEKFJXGGJBG-JTQLQIEISA-N -1 1 386.441 0.896 20 0 GCADMM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC000820770198 606584461 /nfs/dbraw/zinc/58/44/61/606584461.db2.gz ZLCUSHMXMXRLQK-DGCLKSJQSA-N -1 1 393.473 0.440 20 0 GCADMM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC000820770198 606584462 /nfs/dbraw/zinc/58/44/62/606584462.db2.gz ZLCUSHMXMXRLQK-DGCLKSJQSA-N -1 1 393.473 0.440 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1-c1nn[n-]n1 ZINC000821979609 606585377 /nfs/dbraw/zinc/58/53/77/606585377.db2.gz UIXMXWXRXJHHOX-SSDOTTSWSA-N -1 1 375.414 0.182 20 0 GCADMM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822880565 606591295 /nfs/dbraw/zinc/59/12/95/606591295.db2.gz SDSQCNWYVSBDGK-SNVBAGLBSA-N -1 1 385.409 0.935 20 0 GCADMM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822880565 606591297 /nfs/dbraw/zinc/59/12/97/606591297.db2.gz SDSQCNWYVSBDGK-SNVBAGLBSA-N -1 1 385.409 0.935 20 0 GCADMM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)nc1 ZINC000822885711 606591415 /nfs/dbraw/zinc/59/14/15/606591415.db2.gz UFROVWFPZWAPKJ-UHFFFAOYSA-N -1 1 384.425 0.385 20 0 GCADMM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)nc1 ZINC000822885711 606591417 /nfs/dbraw/zinc/59/14/17/606591417.db2.gz UFROVWFPZWAPKJ-UHFFFAOYSA-N -1 1 384.425 0.385 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H]1Oc2ccccc2[C@H]1C ZINC000820451554 606592187 /nfs/dbraw/zinc/59/21/87/606592187.db2.gz VVXTUMWWZDERFY-BFVZDQMLSA-N -1 1 383.412 0.629 20 0 GCADMM COC(=O)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CC1 ZINC000821659186 606634640 /nfs/dbraw/zinc/63/46/40/606634640.db2.gz VCFFJELNSSLEGL-JTQLQIEISA-N -1 1 378.414 0.761 20 0 GCADMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccnc(-c3nnn[n-]3)c1)C2=O ZINC000820698353 606652640 /nfs/dbraw/zinc/65/26/40/606652640.db2.gz SYOUJRKDMJSSQW-ADLMAVQZSA-N -1 1 399.411 0.806 20 0 GCADMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccnc(-c3nn[n-]n3)c1)C2=O ZINC000820698353 606652641 /nfs/dbraw/zinc/65/26/41/606652641.db2.gz SYOUJRKDMJSSQW-ADLMAVQZSA-N -1 1 399.411 0.806 20 0 GCADMM CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821139152 606652649 /nfs/dbraw/zinc/65/26/49/606652649.db2.gz QDHKIDVQMSNURU-ZDUSSCGKSA-N -1 1 380.430 0.509 20 0 GCADMM CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821139152 606652650 /nfs/dbraw/zinc/65/26/50/606652650.db2.gz QDHKIDVQMSNURU-ZDUSSCGKSA-N -1 1 380.430 0.509 20 0 GCADMM CN(C)S(=O)(=O)c1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821588530 606652679 /nfs/dbraw/zinc/65/26/79/606652679.db2.gz XCLATMGFFVURKS-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM CN(C)S(=O)(=O)c1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821588530 606652680 /nfs/dbraw/zinc/65/26/80/606652680.db2.gz XCLATMGFFVURKS-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821139151 606652691 /nfs/dbraw/zinc/65/26/91/606652691.db2.gz QDHKIDVQMSNURU-CYBMUJFWSA-N -1 1 380.430 0.509 20 0 GCADMM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821139151 606652692 /nfs/dbraw/zinc/65/26/92/606652692.db2.gz QDHKIDVQMSNURU-CYBMUJFWSA-N -1 1 380.430 0.509 20 0 GCADMM CCS(=O)(=O)N1CCC[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000821441000 606652739 /nfs/dbraw/zinc/65/27/39/606652739.db2.gz GTCJKTAICLPLLU-LBPRGKRZSA-N -1 1 380.430 0.367 20 0 GCADMM CCS(=O)(=O)N1CCC[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000821441000 606652740 /nfs/dbraw/zinc/65/27/40/606652740.db2.gz GTCJKTAICLPLLU-LBPRGKRZSA-N -1 1 380.430 0.367 20 0 GCADMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccnc(-c3nnn[n-]3)c1)C2=O ZINC000820698355 606652814 /nfs/dbraw/zinc/65/28/14/606652814.db2.gz SYOUJRKDMJSSQW-BBATYDOGSA-N -1 1 399.411 0.806 20 0 GCADMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccnc(-c3nn[n-]n3)c1)C2=O ZINC000820698355 606652815 /nfs/dbraw/zinc/65/28/15/606652815.db2.gz SYOUJRKDMJSSQW-BBATYDOGSA-N -1 1 399.411 0.806 20 0 GCADMM COc1cc(C[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1 ZINC000821713420 606658361 /nfs/dbraw/zinc/65/83/61/606658361.db2.gz WLTHKJDPYTYPTR-CYBMUJFWSA-N -1 1 398.423 0.860 20 0 GCADMM COc1cc(C[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1 ZINC000821713420 606658362 /nfs/dbraw/zinc/65/83/62/606658362.db2.gz WLTHKJDPYTYPTR-CYBMUJFWSA-N -1 1 398.423 0.860 20 0 GCADMM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819855850 606691366 /nfs/dbraw/zinc/69/13/66/606691366.db2.gz FZTBURNLOXKBKF-LBPRGKRZSA-N -1 1 389.485 0.697 20 0 GCADMM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819855850 606691367 /nfs/dbraw/zinc/69/13/67/606691367.db2.gz FZTBURNLOXKBKF-LBPRGKRZSA-N -1 1 389.485 0.697 20 0 GCADMM COc1ccc(-n2cc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)nn2)cc1 ZINC000821769450 606697404 /nfs/dbraw/zinc/69/74/04/606697404.db2.gz HRBYRNOXFFXIEQ-UHFFFAOYSA-N -1 1 395.387 0.511 20 0 GCADMM COc1ccc(-n2cc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)nn2)cc1 ZINC000821769450 606697405 /nfs/dbraw/zinc/69/74/05/606697405.db2.gz HRBYRNOXFFXIEQ-UHFFFAOYSA-N -1 1 395.387 0.511 20 0 GCADMM COC(=O)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@@H]1C ZINC000821655565 606697989 /nfs/dbraw/zinc/69/79/89/606697989.db2.gz NKCBYUFMCCHNLQ-XVKPBYJWSA-N -1 1 378.414 0.570 20 0 GCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1noc(-c2ccccc2)n1 ZINC000820450867 606725536 /nfs/dbraw/zinc/72/55/36/606725536.db2.gz QADQMMRMBNRSKX-SECBINFHSA-N -1 1 395.383 0.487 20 0 GCADMM O=C(c1ccccc1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823493723 606738206 /nfs/dbraw/zinc/73/82/06/606738206.db2.gz TTWLYHPMNKKXPK-ZDUSSCGKSA-N -1 1 399.436 0.455 20 0 GCADMM O=C(c1ccccc1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823493723 606738207 /nfs/dbraw/zinc/73/82/07/606738207.db2.gz TTWLYHPMNKKXPK-ZDUSSCGKSA-N -1 1 399.436 0.455 20 0 GCADMM COCCC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCC1 ZINC000821685329 606738494 /nfs/dbraw/zinc/73/84/94/606738494.db2.gz AALDBEQYMQJWDB-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM COCCC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCC1 ZINC000821685329 606738495 /nfs/dbraw/zinc/73/84/95/606738495.db2.gz AALDBEQYMQJWDB-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC000821657281 606745101 /nfs/dbraw/zinc/74/51/01/606745101.db2.gz LDRXXQCLBMDFKK-RKDXNWHRSA-N -1 1 385.833 0.950 20 0 GCADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC000821657281 606745103 /nfs/dbraw/zinc/74/51/03/606745103.db2.gz LDRXXQCLBMDFKK-RKDXNWHRSA-N -1 1 385.833 0.950 20 0 GCADMM COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC000821645239 606746369 /nfs/dbraw/zinc/74/63/69/606746369.db2.gz UYDTYNFAGUBWTP-ZDUSSCGKSA-N -1 1 380.430 0.662 20 0 GCADMM COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC000821645239 606746370 /nfs/dbraw/zinc/74/63/70/606746370.db2.gz UYDTYNFAGUBWTP-ZDUSSCGKSA-N -1 1 380.430 0.662 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCNc2ncccc2-c2nn[nH]n2)o1 ZINC000821637409 606759834 /nfs/dbraw/zinc/75/98/34/606759834.db2.gz FGEDLBVHNNWOOJ-UHFFFAOYSA-N -1 1 393.385 0.032 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C=C3CCC3)CC2)o1 ZINC000822423153 606762130 /nfs/dbraw/zinc/76/21/30/606762130.db2.gz ICUGQTZEQZVSCL-UHFFFAOYSA-N -1 1 387.400 0.465 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccnc1 ZINC000820788672 606763008 /nfs/dbraw/zinc/76/30/08/606763008.db2.gz LZIPAFQDTXFIHB-LBPRGKRZSA-N -1 1 380.416 0.472 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccnc1 ZINC000820788672 606763009 /nfs/dbraw/zinc/76/30/09/606763009.db2.gz LZIPAFQDTXFIHB-LBPRGKRZSA-N -1 1 380.416 0.472 20 0 GCADMM CC(C)[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820038077 606768944 /nfs/dbraw/zinc/76/89/44/606768944.db2.gz KFFGMQFLJQIQSZ-UONOGXRCSA-N -1 1 385.476 0.629 20 0 GCADMM CC(C)[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820038077 606768945 /nfs/dbraw/zinc/76/89/45/606768945.db2.gz KFFGMQFLJQIQSZ-UONOGXRCSA-N -1 1 385.476 0.629 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1c2ccccc2oc1=O ZINC000820804282 606768955 /nfs/dbraw/zinc/76/89/55/606768955.db2.gz PMXUVVAQBRTKLB-GFCCVEGCSA-N -1 1 393.411 0.733 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1c2ccccc2oc1=O ZINC000820804282 606768957 /nfs/dbraw/zinc/76/89/57/606768957.db2.gz PMXUVVAQBRTKLB-GFCCVEGCSA-N -1 1 393.411 0.733 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1nccs1 ZINC000820788208 606777334 /nfs/dbraw/zinc/77/73/34/606777334.db2.gz APQWVXFBMKBADD-SNVBAGLBSA-N -1 1 386.445 0.262 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1nccs1 ZINC000820788208 606777336 /nfs/dbraw/zinc/77/73/36/606777336.db2.gz APQWVXFBMKBADD-SNVBAGLBSA-N -1 1 386.445 0.262 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820649765 606777351 /nfs/dbraw/zinc/77/73/51/606777351.db2.gz ONVKFYRPKRZRBE-KFWWJZLASA-N -1 1 399.503 0.672 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820649765 606777353 /nfs/dbraw/zinc/77/73/53/606777353.db2.gz ONVKFYRPKRZRBE-KFWWJZLASA-N -1 1 399.503 0.672 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820649770 606777592 /nfs/dbraw/zinc/77/75/92/606777592.db2.gz ONVKFYRPKRZRBE-RBSFLKMASA-N -1 1 399.503 0.672 20 0 GCADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820649770 606777593 /nfs/dbraw/zinc/77/75/93/606777593.db2.gz ONVKFYRPKRZRBE-RBSFLKMASA-N -1 1 399.503 0.672 20 0 GCADMM CO[C@@H](C)c1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000821675528 606778295 /nfs/dbraw/zinc/77/82/95/606778295.db2.gz NPTBBKCQTYIWPC-MNOVXSKESA-N -1 1 386.420 0.458 20 0 GCADMM CO[C@@H](C)c1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000821675528 606778296 /nfs/dbraw/zinc/77/82/96/606778296.db2.gz NPTBBKCQTYIWPC-MNOVXSKESA-N -1 1 386.420 0.458 20 0 GCADMM COC(=O)c1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000821668861 606781111 /nfs/dbraw/zinc/78/11/11/606781111.db2.gz MVNORWUVBQRWNM-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM COC(=O)c1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000821668861 606781112 /nfs/dbraw/zinc/78/11/12/606781112.db2.gz MVNORWUVBQRWNM-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM COC(=O)c1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000821668860 606781213 /nfs/dbraw/zinc/78/12/13/606781213.db2.gz MVNORWUVBQRWNM-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM COC(=O)c1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000821668860 606781214 /nfs/dbraw/zinc/78/12/14/606781214.db2.gz MVNORWUVBQRWNM-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM CC(C)CN(C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CC1 ZINC000820081529 606781297 /nfs/dbraw/zinc/78/12/97/606781297.db2.gz KHAQUNSQVIBWSR-CQSZACIVSA-N -1 1 399.503 0.814 20 0 GCADMM CC(C)CN(C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CC1 ZINC000820081529 606781299 /nfs/dbraw/zinc/78/12/99/606781299.db2.gz KHAQUNSQVIBWSR-CQSZACIVSA-N -1 1 399.503 0.814 20 0 GCADMM COC(=O)c1ccoc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821671406 606781739 /nfs/dbraw/zinc/78/17/39/606781739.db2.gz UXBPXSGVZHBZIE-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM COC(=O)c1ccoc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821671406 606781741 /nfs/dbraw/zinc/78/17/41/606781741.db2.gz UXBPXSGVZHBZIE-LLVKDONJSA-N -1 1 384.400 0.747 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)CC(F)(F)F ZINC000820789152 606782275 /nfs/dbraw/zinc/78/22/75/606782275.db2.gz WMRRDFUACMYVHO-SNVBAGLBSA-N -1 1 399.381 0.188 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)CC(F)(F)F ZINC000820789152 606782277 /nfs/dbraw/zinc/78/22/77/606782277.db2.gz WMRRDFUACMYVHO-SNVBAGLBSA-N -1 1 399.381 0.188 20 0 GCADMM CC[C@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820979753 606783322 /nfs/dbraw/zinc/78/33/22/606783322.db2.gz JQIFFXRHBGVXSB-CABCVRRESA-N -1 1 399.503 0.958 20 0 GCADMM CC[C@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820979753 606783324 /nfs/dbraw/zinc/78/33/24/606783324.db2.gz JQIFFXRHBGVXSB-CABCVRRESA-N -1 1 399.503 0.958 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)[C@H]1CCCO1 ZINC000820352552 606786691 /nfs/dbraw/zinc/78/66/91/606786691.db2.gz VTAGGTACGRTCRW-FRRDWIJNSA-N -1 1 387.448 0.444 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)[C@H]1CCCO1 ZINC000820352552 606786693 /nfs/dbraw/zinc/78/66/93/606786693.db2.gz VTAGGTACGRTCRW-FRRDWIJNSA-N -1 1 387.448 0.444 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1cccnc1 ZINC000820788658 606786698 /nfs/dbraw/zinc/78/66/98/606786698.db2.gz LOUUBZAEHDGIBE-ZDUSSCGKSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1cccnc1 ZINC000820788658 606786699 /nfs/dbraw/zinc/78/66/99/606786699.db2.gz LOUUBZAEHDGIBE-ZDUSSCGKSA-N -1 1 394.443 0.515 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)on1 ZINC000822199884 606791521 /nfs/dbraw/zinc/79/15/21/606791521.db2.gz LHZMIHOJTXUEGS-NSHDSACASA-N -1 1 384.404 0.373 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)on1 ZINC000822199884 606791522 /nfs/dbraw/zinc/79/15/22/606791522.db2.gz LHZMIHOJTXUEGS-NSHDSACASA-N -1 1 384.404 0.373 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@]1(C)CCOC1 ZINC000820788280 606792195 /nfs/dbraw/zinc/79/21/95/606792195.db2.gz CBEJPUUNMPPDAU-SJCJKPOMSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@]1(C)CCOC1 ZINC000820788280 606792197 /nfs/dbraw/zinc/79/21/97/606792197.db2.gz CBEJPUUNMPPDAU-SJCJKPOMSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1CCSCC1 ZINC000820789051 606792214 /nfs/dbraw/zinc/79/22/14/606792214.db2.gz UONAUYIEHJTWKF-LLVKDONJSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1CCSCC1 ZINC000820789051 606792215 /nfs/dbraw/zinc/79/22/15/606792215.db2.gz UONAUYIEHJTWKF-LLVKDONJSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1CCSCC1 ZINC000820789052 606792505 /nfs/dbraw/zinc/79/25/05/606792505.db2.gz UONAUYIEHJTWKF-NSHDSACASA-N -1 1 389.489 0.772 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1CCSCC1 ZINC000820789052 606792507 /nfs/dbraw/zinc/79/25/07/606792507.db2.gz UONAUYIEHJTWKF-NSHDSACASA-N -1 1 389.489 0.772 20 0 GCADMM COC[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000821682416 606794612 /nfs/dbraw/zinc/79/46/12/606794612.db2.gz DXRAFZCLZDJQJV-STQMWFEESA-N -1 1 389.464 0.548 20 0 GCADMM COC[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000821682416 606794614 /nfs/dbraw/zinc/79/46/14/606794614.db2.gz DXRAFZCLZDJQJV-STQMWFEESA-N -1 1 389.464 0.548 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1CCCS1 ZINC000820788549 606795190 /nfs/dbraw/zinc/79/51/90/606795190.db2.gz JNJZVVULXYWWPK-NEPJUHHUSA-N -1 1 389.489 0.772 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1CCCS1 ZINC000820788549 606795191 /nfs/dbraw/zinc/79/51/91/606795191.db2.gz JNJZVVULXYWWPK-NEPJUHHUSA-N -1 1 389.489 0.772 20 0 GCADMM Cc1noc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822520191 606796730 /nfs/dbraw/zinc/79/67/30/606796730.db2.gz SIERCYVJFNGJED-ZJUUUORDSA-N -1 1 399.419 0.329 20 0 GCADMM Cc1noc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822520191 606796733 /nfs/dbraw/zinc/79/67/33/606796733.db2.gz SIERCYVJFNGJED-ZJUUUORDSA-N -1 1 399.419 0.329 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2c1ncn2C ZINC000820803985 606807068 /nfs/dbraw/zinc/80/70/68/606807068.db2.gz KROPCHVSEVGZBY-JTQLQIEISA-N -1 1 378.404 0.049 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2c1ncn2C ZINC000820803985 606807069 /nfs/dbraw/zinc/80/70/69/606807069.db2.gz KROPCHVSEVGZBY-JTQLQIEISA-N -1 1 378.404 0.049 20 0 GCADMM COCc1nc(C)cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000821695772 606808577 /nfs/dbraw/zinc/80/85/77/606808577.db2.gz IFBUBPNIRZUEAB-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM COCc1nc(C)cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000821695772 606808578 /nfs/dbraw/zinc/80/85/78/606808578.db2.gz IFBUBPNIRZUEAB-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM COc1cccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821862444 606819044 /nfs/dbraw/zinc/81/90/44/606819044.db2.gz BKDTYAAGJKCGRT-CYBMUJFWSA-N -1 1 394.439 0.945 20 0 GCADMM COc1cccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821862444 606819045 /nfs/dbraw/zinc/81/90/45/606819045.db2.gz BKDTYAAGJKCGRT-CYBMUJFWSA-N -1 1 394.439 0.945 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccccc1F ZINC000820775377 606819764 /nfs/dbraw/zinc/81/97/64/606819764.db2.gz HUSCUMONPMUBDU-GFCCVEGCSA-N -1 1 398.402 0.912 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccccc1F ZINC000820775377 606819765 /nfs/dbraw/zinc/81/97/65/606819765.db2.gz HUSCUMONPMUBDU-GFCCVEGCSA-N -1 1 398.402 0.912 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CC1(Cl)Cl ZINC000820778982 606819942 /nfs/dbraw/zinc/81/99/42/606819942.db2.gz ZSNLJJAXVFRFJK-IUCAKERBSA-N -1 1 383.243 0.888 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CC1(Cl)Cl ZINC000820778982 606819943 /nfs/dbraw/zinc/81/99/43/606819943.db2.gz ZSNLJJAXVFRFJK-IUCAKERBSA-N -1 1 383.243 0.888 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC000820788452 606820318 /nfs/dbraw/zinc/82/03/18/606820318.db2.gz HHUWOWBMFHTVKT-LBPRGKRZSA-N -1 1 392.423 0.943 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC000820788452 606820320 /nfs/dbraw/zinc/82/03/20/606820320.db2.gz HHUWOWBMFHTVKT-LBPRGKRZSA-N -1 1 392.423 0.943 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000820775369 606821273 /nfs/dbraw/zinc/82/12/73/606821273.db2.gz HTFBMYRTLGQRIX-DOMZBBRYSA-N -1 1 392.423 0.698 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000820775369 606821274 /nfs/dbraw/zinc/82/12/74/606821274.db2.gz HTFBMYRTLGQRIX-DOMZBBRYSA-N -1 1 392.423 0.698 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000820778976 606822063 /nfs/dbraw/zinc/82/20/63/606822063.db2.gz ZSJKURTUGVLJOA-NEPJUHHUSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000820778976 606822065 /nfs/dbraw/zinc/82/20/65/606822065.db2.gz ZSJKURTUGVLJOA-NEPJUHHUSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cnn(C)c1 ZINC000820778089 606822079 /nfs/dbraw/zinc/82/20/79/606822079.db2.gz VMZBSIZVOKCOOI-AAOUONPWSA-N -1 1 380.416 0.141 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cnn(C)c1 ZINC000820778089 606822081 /nfs/dbraw/zinc/82/20/81/606822081.db2.gz VMZBSIZVOKCOOI-AAOUONPWSA-N -1 1 380.416 0.141 20 0 GCADMM O=S(=O)(NCCc1nnc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578377 606822626 /nfs/dbraw/zinc/82/26/26/606822626.db2.gz NFXIRNDTAHOYGN-UHFFFAOYSA-N -1 1 398.408 0.833 20 0 GCADMM O=S(=O)(NCCc1nnc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578377 606822628 /nfs/dbraw/zinc/82/26/28/606822628.db2.gz NFXIRNDTAHOYGN-UHFFFAOYSA-N -1 1 398.408 0.833 20 0 GCADMM CCCNC(=O)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821114336 606822704 /nfs/dbraw/zinc/82/27/04/606822704.db2.gz OKABVAAZXYYKDX-LBPRGKRZSA-N -1 1 387.448 0.000 20 0 GCADMM CCCNC(=O)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821114336 606822706 /nfs/dbraw/zinc/82/27/06/606822706.db2.gz OKABVAAZXYYKDX-LBPRGKRZSA-N -1 1 387.448 0.000 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCCCC1=O ZINC000820774447 606822955 /nfs/dbraw/zinc/82/29/55/606822955.db2.gz CYHVRJDLWBZQRM-CYBMUJFWSA-N -1 1 399.459 0.096 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCCCC1=O ZINC000820774447 606822956 /nfs/dbraw/zinc/82/29/56/606822956.db2.gz CYHVRJDLWBZQRM-CYBMUJFWSA-N -1 1 399.459 0.096 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000820774437 606822958 /nfs/dbraw/zinc/82/29/58/606822958.db2.gz CVNPMAHITQSVTE-ZDUSSCGKSA-N -1 1 396.459 0.714 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000820774437 606822959 /nfs/dbraw/zinc/82/29/59/606822959.db2.gz CVNPMAHITQSVTE-ZDUSSCGKSA-N -1 1 396.459 0.714 20 0 GCADMM COc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821786841 606824159 /nfs/dbraw/zinc/82/41/59/606824159.db2.gz KLSNXMQTGCFUOS-CYBMUJFWSA-N -1 1 394.439 0.945 20 0 GCADMM COc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821786841 606824160 /nfs/dbraw/zinc/82/41/60/606824160.db2.gz KLSNXMQTGCFUOS-CYBMUJFWSA-N -1 1 394.439 0.945 20 0 GCADMM CC(=O)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n(C)c1 ZINC000819832917 606824231 /nfs/dbraw/zinc/82/42/31/606824231.db2.gz CMEQRCISAYXFPE-NSHDSACASA-N -1 1 395.427 0.549 20 0 GCADMM CC(=O)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n(C)c1 ZINC000819832917 606824232 /nfs/dbraw/zinc/82/42/32/606824232.db2.gz CMEQRCISAYXFPE-NSHDSACASA-N -1 1 395.427 0.549 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC000819858192 606824544 /nfs/dbraw/zinc/82/45/44/606824544.db2.gz ZXWYIPNMMBYKHD-VXGBXAGGSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC000819858192 606824546 /nfs/dbraw/zinc/82/45/46/606824546.db2.gz ZXWYIPNMMBYKHD-VXGBXAGGSA-N -1 1 382.432 0.231 20 0 GCADMM COc1ccccc1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821889724 606825279 /nfs/dbraw/zinc/82/52/79/606825279.db2.gz FDGOIMAMKNINPW-ZDUSSCGKSA-N -1 1 394.439 0.945 20 0 GCADMM COc1ccccc1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821889724 606825280 /nfs/dbraw/zinc/82/52/80/606825280.db2.gz FDGOIMAMKNINPW-ZDUSSCGKSA-N -1 1 394.439 0.945 20 0 GCADMM Cc1cc(C)n([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822197790 606830549 /nfs/dbraw/zinc/83/05/49/606830549.db2.gz PINSZOCPNLDALP-KBPBESRZSA-N -1 1 396.459 0.768 20 0 GCADMM Cc1cc(C)n([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822197790 606830550 /nfs/dbraw/zinc/83/05/50/606830550.db2.gz PINSZOCPNLDALP-KBPBESRZSA-N -1 1 396.459 0.768 20 0 GCADMM Cc1cc(C)n([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822197791 606830601 /nfs/dbraw/zinc/83/06/01/606830601.db2.gz PINSZOCPNLDALP-KGLIPLIRSA-N -1 1 396.459 0.768 20 0 GCADMM Cc1cc(C)n([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822197791 606830602 /nfs/dbraw/zinc/83/06/02/606830602.db2.gz PINSZOCPNLDALP-KGLIPLIRSA-N -1 1 396.459 0.768 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccncc1 ZINC000820776728 606831413 /nfs/dbraw/zinc/83/14/13/606831413.db2.gz NBXQDSDEZOFMCV-CYBMUJFWSA-N -1 1 379.428 0.722 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccncc1 ZINC000820776728 606831415 /nfs/dbraw/zinc/83/14/15/606831415.db2.gz NBXQDSDEZOFMCV-CYBMUJFWSA-N -1 1 379.428 0.722 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC000820789162 606831638 /nfs/dbraw/zinc/83/16/38/606831638.db2.gz WUEWUSMUBYUBLT-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC000820789162 606831640 /nfs/dbraw/zinc/83/16/40/606831640.db2.gz WUEWUSMUBYUBLT-NSHDSACASA-N -1 1 390.411 0.884 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1cccn(C)c1=O ZINC000820789002 606836003 /nfs/dbraw/zinc/83/60/03/606836003.db2.gz SYXYSRYGWJJUCV-NSHDSACASA-N -1 1 396.415 0.098 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1cccn(C)c1=O ZINC000820789002 606836005 /nfs/dbraw/zinc/83/60/05/606836005.db2.gz SYXYSRYGWJJUCV-NSHDSACASA-N -1 1 396.415 0.098 20 0 GCADMM C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)S(C)(=O)=O ZINC000819883299 606843523 /nfs/dbraw/zinc/84/35/23/606843523.db2.gz GULSUOARPGPLJJ-DTWKUNHWSA-N -1 1 391.450 0.448 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000823606471 606844385 /nfs/dbraw/zinc/84/43/85/606844385.db2.gz IFBUERPFTVALSR-SNVBAGLBSA-N -1 1 381.311 0.958 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H](C(F)(F)F)C1 ZINC000823606470 606844549 /nfs/dbraw/zinc/84/45/49/606844549.db2.gz IFBUERPFTVALSR-JTQLQIEISA-N -1 1 381.311 0.958 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cncn1 ZINC000823606772 606844674 /nfs/dbraw/zinc/84/46/74/606844674.db2.gz MCJHUYNCLBLYIW-LLVKDONJSA-N -1 1 378.393 0.451 20 0 GCADMM COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821692264 606845586 /nfs/dbraw/zinc/84/55/86/606845586.db2.gz SLMKNNPGSSNSTP-LLVKDONJSA-N -1 1 385.421 0.679 20 0 GCADMM Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674107 606845619 /nfs/dbraw/zinc/84/56/19/606845619.db2.gz LLKPOQDSUAXUMG-CYBMUJFWSA-N -1 1 393.404 0.502 20 0 GCADMM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674108 606845832 /nfs/dbraw/zinc/84/58/32/606845832.db2.gz LLKPOQDSUAXUMG-ZDUSSCGKSA-N -1 1 393.404 0.502 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823600314 606845937 /nfs/dbraw/zinc/84/59/37/606845937.db2.gz GDVQXUVPCLVADX-CYBMUJFWSA-N -1 1 397.432 0.964 20 0 GCADMM CCOCCN1C(=O)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)N(C)C)=C1C ZINC000821378120 606849934 /nfs/dbraw/zinc/84/99/34/606849934.db2.gz JAWGKRVRGOGLPD-AWEZNQCLSA-N -1 1 389.416 0.925 20 0 GCADMM CCOCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)N(C)C)=C1C ZINC000821378120 606849936 /nfs/dbraw/zinc/84/99/36/606849936.db2.gz JAWGKRVRGOGLPD-AWEZNQCLSA-N -1 1 389.416 0.925 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cccc(O)c1 ZINC000820774392 606854849 /nfs/dbraw/zinc/85/48/49/606854849.db2.gz BXKFFUFIIOZQKB-LBPRGKRZSA-N -1 1 380.412 0.642 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cccc(O)c1 ZINC000820774392 606854850 /nfs/dbraw/zinc/85/48/50/606854850.db2.gz BXKFFUFIIOZQKB-LBPRGKRZSA-N -1 1 380.412 0.642 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccccc1O ZINC000820774429 606854948 /nfs/dbraw/zinc/85/49/48/606854948.db2.gz COMMFTXWDFSHRL-LBPRGKRZSA-N -1 1 380.412 0.642 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccccc1O ZINC000820774429 606854949 /nfs/dbraw/zinc/85/49/49/606854949.db2.gz COMMFTXWDFSHRL-LBPRGKRZSA-N -1 1 380.412 0.642 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](CCO)C(C)C ZINC000822459497 606862100 /nfs/dbraw/zinc/86/21/00/606862100.db2.gz QFZIISXCIJYDNO-OAHLLOKOSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](CCO)C(C)C ZINC000822459497 606862102 /nfs/dbraw/zinc/86/21/02/606862102.db2.gz QFZIISXCIJYDNO-OAHLLOKOSA-N -1 1 386.460 0.982 20 0 GCADMM COCCC[N@@H+](C)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821687337 606894361 /nfs/dbraw/zinc/89/43/61/606894361.db2.gz ZLIXUAKOUIVTPR-UHFFFAOYSA-N -1 1 390.416 0.392 20 0 GCADMM COCCc1noc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000821694689 606944476 /nfs/dbraw/zinc/94/44/76/606944476.db2.gz YBQXSGNQIJHDRN-UHFFFAOYSA-N -1 1 397.392 0.398 20 0 GCADMM CC(=O)N1CC[C@@H](COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000819788088 606952721 /nfs/dbraw/zinc/95/27/21/606952721.db2.gz ARJNIIWWDLPTPE-CYBMUJFWSA-N -1 1 388.428 0.928 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000822005192 606982577 /nfs/dbraw/zinc/98/25/77/606982577.db2.gz PEJYWNJQEZNRCL-ZIAGYGMSSA-N -1 1 399.455 0.786 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821325310 607005057 /nfs/dbraw/zinc/00/50/57/607005057.db2.gz DHZKLKRQGNFZPC-SNVBAGLBSA-N -1 1 383.405 0.970 20 0 GCADMM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000819997329 607023468 /nfs/dbraw/zinc/02/34/68/607023468.db2.gz UCJYPAQQFIWCRM-LBPRGKRZSA-N -1 1 385.388 0.137 20 0 GCADMM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820994874 607063374 /nfs/dbraw/zinc/06/33/74/607063374.db2.gz LKDODPNKMYFHBZ-UWVGGRQHSA-N -1 1 384.487 0.718 20 0 GCADMM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820994874 607063376 /nfs/dbraw/zinc/06/33/76/607063376.db2.gz LKDODPNKMYFHBZ-UWVGGRQHSA-N -1 1 384.487 0.718 20 0 GCADMM COC(=O)c1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1C ZINC000821668218 607094369 /nfs/dbraw/zinc/09/43/69/607094369.db2.gz VMLCKTDGRYNYSR-UHFFFAOYSA-N -1 1 388.392 0.051 20 0 GCADMM COC(=O)c1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1C ZINC000821668218 607094371 /nfs/dbraw/zinc/09/43/71/607094371.db2.gz VMLCKTDGRYNYSR-UHFFFAOYSA-N -1 1 388.392 0.051 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@@H](C)[S@@](C)=O ZINC000822006106 607099205 /nfs/dbraw/zinc/09/92/05/607099205.db2.gz XVPSXWQNOUPQBC-ZJJDNZPOSA-N -1 1 380.474 0.790 20 0 GCADMM Nc1sc2c(c1-c1nn[nH]n1)CCN(C(=O)c1nc3ccccc3c(=O)[n-]1)C2 ZINC000822911962 607101770 /nfs/dbraw/zinc/10/17/70/607101770.db2.gz GKSROWXRUXZOGL-UHFFFAOYSA-N -1 1 394.420 0.945 20 0 GCADMM C[C@@H]1CO[C@H](CO)CN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820804438 607103007 /nfs/dbraw/zinc/10/30/07/607103007.db2.gz SIZWHTFPFHAUTJ-OCCSQVGLSA-N -1 1 398.427 0.073 20 0 GCADMM C[C@@H]1CO[C@H](CO)CN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820804438 607103009 /nfs/dbraw/zinc/10/30/09/607103009.db2.gz SIZWHTFPFHAUTJ-OCCSQVGLSA-N -1 1 398.427 0.073 20 0 GCADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822964424 607105557 /nfs/dbraw/zinc/10/55/57/607105557.db2.gz INRPFKADJGDYMB-UHFFFAOYSA-N -1 1 376.402 0.516 20 0 GCADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822964424 607105559 /nfs/dbraw/zinc/10/55/59/607105559.db2.gz INRPFKADJGDYMB-UHFFFAOYSA-N -1 1 376.402 0.516 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822000331 607106042 /nfs/dbraw/zinc/10/60/42/607106042.db2.gz IOYRBMMBLFRYCB-ZETCQYMHSA-N -1 1 397.417 0.768 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822000331 607106044 /nfs/dbraw/zinc/10/60/44/607106044.db2.gz IOYRBMMBLFRYCB-ZETCQYMHSA-N -1 1 397.417 0.768 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)CN1C(=O)c2ccccc2C1=O ZINC000823027324 607112295 /nfs/dbraw/zinc/11/22/95/607112295.db2.gz QZQHHPPQTSRRGN-UHFFFAOYSA-N -1 1 392.331 0.284 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)CN1C(=O)c2ccccc2C1=O ZINC000823027324 607112296 /nfs/dbraw/zinc/11/22/96/607112296.db2.gz QZQHHPPQTSRRGN-UHFFFAOYSA-N -1 1 392.331 0.284 20 0 GCADMM Cc1ccn(-c2ccccc2CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000822369399 607125900 /nfs/dbraw/zinc/12/59/00/607125900.db2.gz ISNOHKGSHHTKJC-UHFFFAOYSA-N -1 1 393.411 0.370 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3ccc(F)c(F)c3C2)n(C)c1=O ZINC000822601271 607131295 /nfs/dbraw/zinc/13/12/95/607131295.db2.gz WPLWBUUGMZKKMR-UHFFFAOYSA-N -1 1 375.339 0.105 20 0 GCADMM O=C(COC(=O)CC1(CO)CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018256 607135168 /nfs/dbraw/zinc/13/51/68/607135168.db2.gz JBMFSDBBVFHOKN-UHFFFAOYSA-N -1 1 397.395 0.697 20 0 GCADMM O=C(COC(=O)CC1(CO)CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018256 607135170 /nfs/dbraw/zinc/13/51/70/607135170.db2.gz JBMFSDBBVFHOKN-UHFFFAOYSA-N -1 1 397.395 0.697 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000822535643 607138505 /nfs/dbraw/zinc/13/85/05/607138505.db2.gz ZGCMUQWOXNUWNY-GHMZBOCLSA-N -1 1 385.384 0.322 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000822535643 607138506 /nfs/dbraw/zinc/13/85/06/607138506.db2.gz ZGCMUQWOXNUWNY-GHMZBOCLSA-N -1 1 385.384 0.322 20 0 GCADMM COC(=O)[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821652733 607144199 /nfs/dbraw/zinc/14/41/99/607144199.db2.gz YUTDJDBWSMCCTK-HNNXBMFYSA-N -1 1 378.414 0.714 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819933550 607146417 /nfs/dbraw/zinc/14/64/17/607146417.db2.gz VRIIMPPJCMHAIG-VIFPVBQESA-N -1 1 378.393 0.312 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCS[C@H]2COCC[C@H]21 ZINC000823601298 607146423 /nfs/dbraw/zinc/14/64/23/607146423.db2.gz ZLLHGLRIAQPETK-OLZOCXBDSA-N -1 1 385.446 0.901 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000822904403 607147207 /nfs/dbraw/zinc/14/72/07/607147207.db2.gz XXYUDDIWCKHUHG-UHFFFAOYSA-N -1 1 393.289 0.952 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)COc2ccc(Cl)cc2)c1=O ZINC000821565417 607160761 /nfs/dbraw/zinc/16/07/61/607160761.db2.gz RQMZWQLCUTWZSL-UHFFFAOYSA-N -1 1 390.787 0.512 20 0 GCADMM CCOc1ccnc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000821438098 607168812 /nfs/dbraw/zinc/16/88/12/607168812.db2.gz SOPVWUPZFIANPS-UHFFFAOYSA-N -1 1 395.427 0.803 20 0 GCADMM CCOc1ccnc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000821438098 607168813 /nfs/dbraw/zinc/16/88/13/607168813.db2.gz SOPVWUPZFIANPS-UHFFFAOYSA-N -1 1 395.427 0.803 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000823131640 607205551 /nfs/dbraw/zinc/20/55/51/607205551.db2.gz KZMBVBBFCXMGKJ-UHFFFAOYSA-N -1 1 389.807 0.587 20 0 GCADMM Cc1cc(C)n(-c2ccc(CCNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000822197479 607207926 /nfs/dbraw/zinc/20/79/26/607207926.db2.gz CCGMUBUFFWPAHQ-UHFFFAOYSA-N -1 1 392.427 0.620 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccnc(OCc2ccccc2)c1 ZINC000823131470 607208266 /nfs/dbraw/zinc/20/82/66/607208266.db2.gz HTYRLDLJYZMDIH-UHFFFAOYSA-N -1 1 391.395 0.749 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNc1ncc(Cl)cc1Cl ZINC000823131011 607208404 /nfs/dbraw/zinc/20/84/04/607208404.db2.gz AXWHENHTAWZWAX-UHFFFAOYSA-N -1 1 383.203 0.388 20 0 GCADMM CCOc1c(Cl)cc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC000821389336 607208991 /nfs/dbraw/zinc/20/89/91/607208991.db2.gz JMVHGDABRQPRKV-UHFFFAOYSA-N -1 1 392.807 0.835 20 0 GCADMM CCCNC(=O)c1ccc(Cl)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821114189 607208994 /nfs/dbraw/zinc/20/89/94/607208994.db2.gz KNLRCXAAAZRWQV-UHFFFAOYSA-N -1 1 389.807 0.890 20 0 GCADMM COc1ccc(OC2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000821841385 607209059 /nfs/dbraw/zinc/20/90/59/607209059.db2.gz IXFPGXOYRRSTAG-UHFFFAOYSA-N -1 1 384.400 0.537 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cc(F)ccc1Br ZINC000823132006 607209227 /nfs/dbraw/zinc/20/92/27/607209227.db2.gz VDFJTAODMPUBOY-UHFFFAOYSA-N -1 1 381.169 0.676 20 0 GCADMM Cc1ccc(C(=O)C2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000822224813 607209465 /nfs/dbraw/zinc/20/94/65/607209465.db2.gz AYDKFFURXOSDKS-UHFFFAOYSA-N -1 1 380.412 0.888 20 0 GCADMM COCCOc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC000821693620 607209636 /nfs/dbraw/zinc/20/96/36/607209636.db2.gz GURCWJOQTZJBBQ-UHFFFAOYSA-N -1 1 378.780 0.776 20 0 GCADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821066336 607210133 /nfs/dbraw/zinc/21/01/33/607210133.db2.gz SVLLFHAOBSGLTQ-NEPJUHHUSA-N -1 1 375.437 0.002 20 0 GCADMM COc1ccc(C2(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)CCOCC2)cc1 ZINC000821783067 607210310 /nfs/dbraw/zinc/21/03/10/607210310.db2.gz VEIWZMYOAFZUBI-UHFFFAOYSA-N -1 1 398.427 0.331 20 0 GCADMM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821868804 607211267 /nfs/dbraw/zinc/21/12/67/607211267.db2.gz VPKGAJUZWBNQFU-HNNXBMFYSA-N -1 1 398.427 0.675 20 0 GCADMM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822596847 607211466 /nfs/dbraw/zinc/21/14/66/607211466.db2.gz WOOSGIVWYXRAIZ-CYBMUJFWSA-N -1 1 378.400 0.709 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000823150434 607211768 /nfs/dbraw/zinc/21/17/68/607211768.db2.gz PGMMSEDILQJNBU-UHFFFAOYSA-N -1 1 387.448 0.146 20 0 GCADMM CCCCCC(=O)NC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821043877 607212025 /nfs/dbraw/zinc/21/20/25/607212025.db2.gz UXLMWAXHCYLYAV-UHFFFAOYSA-N -1 1 375.437 0.146 20 0 GCADMM COC(=O)c1ccc(OC(C)C)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821669265 607212103 /nfs/dbraw/zinc/21/21/03/607212103.db2.gz DAAJMUVUASIWMJ-UHFFFAOYSA-N -1 1 386.372 0.671 20 0 GCADMM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821330763 607212171 /nfs/dbraw/zinc/21/21/71/607212171.db2.gz QTXCCUFUYICBJK-UHFFFAOYSA-N -1 1 388.363 0.189 20 0 GCADMM CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821170774 607212446 /nfs/dbraw/zinc/21/24/46/607212446.db2.gz WIZXBVNTAYJNTL-CQSZACIVSA-N -1 1 397.443 0.054 20 0 GCADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1N1CCSCC1 ZINC000822208404 607212602 /nfs/dbraw/zinc/21/26/02/607212602.db2.gz QGNHIRDSPQRPKW-UHFFFAOYSA-N -1 1 385.457 0.959 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Oc2ccccc2)nc1 ZINC000823130990 607213242 /nfs/dbraw/zinc/21/32/42/607213242.db2.gz AROLPIMKFXMICS-UHFFFAOYSA-N -1 1 377.368 0.962 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000823127119 607213293 /nfs/dbraw/zinc/21/32/93/607213293.db2.gz UDASLAWACFQAPO-GHMZBOCLSA-N -1 1 389.217 0.893 20 0 GCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000821571932 607213396 /nfs/dbraw/zinc/21/33/96/607213396.db2.gz LLLHBCARVDZFHG-UHFFFAOYSA-N -1 1 395.427 0.221 20 0 GCADMM Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822496706 607215192 /nfs/dbraw/zinc/21/51/92/607215192.db2.gz SWNZFQRCLGXUHF-SECBINFHSA-N -1 1 376.812 0.517 20 0 GCADMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccn1 ZINC000820057313 607215722 /nfs/dbraw/zinc/21/57/22/607215722.db2.gz YCLDYOXXBHEAHL-GFCCVEGCSA-N -1 1 385.432 0.983 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000819940373 607215816 /nfs/dbraw/zinc/21/58/16/607215816.db2.gz ZDIUCVIDXICDAB-MRXNPFEDSA-N -1 1 391.436 0.268 20 0 GCADMM CCNC(=O)c1cc(Cl)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821292795 607216122 /nfs/dbraw/zinc/21/61/22/607216122.db2.gz DETMKFRVGYRKQP-UHFFFAOYSA-N -1 1 375.780 0.500 20 0 GCADMM COC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC(F)F)c1 ZINC000821669459 607216835 /nfs/dbraw/zinc/21/68/35/607216835.db2.gz MRQPNAHNFYKCTD-UHFFFAOYSA-N -1 1 394.298 0.485 20 0 GCADMM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820016377 607217282 /nfs/dbraw/zinc/21/72/82/607217282.db2.gz LIBAVFYYLBYVJX-INIZCTEOSA-N -1 1 393.452 0.514 20 0 GCADMM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000822205968 607217405 /nfs/dbraw/zinc/21/74/05/607217405.db2.gz PDHKIIMQHKIPGQ-ZDUSSCGKSA-N -1 1 385.407 0.691 20 0 GCADMM Cc1noc(COc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000822527812 607217968 /nfs/dbraw/zinc/21/79/68/607217968.db2.gz FUJBOOTZDWMRRA-UHFFFAOYSA-N -1 1 382.344 0.367 20 0 GCADMM CC(C)(C)OC(=O)NC1CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000819939440 607218355 /nfs/dbraw/zinc/21/83/55/607218355.db2.gz BYYPZYQVZUZQNN-UHFFFAOYSA-N -1 1 391.436 0.410 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000823127304 607219080 /nfs/dbraw/zinc/21/90/80/607219080.db2.gz ZIOLTMXHKFJGCC-UHFFFAOYSA-N -1 1 390.411 0.355 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000823127035 607219092 /nfs/dbraw/zinc/21/90/92/607219092.db2.gz RAXASGBNDCOBMM-LLVKDONJSA-N -1 1 387.835 0.897 20 0 GCADMM CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821206858 607220310 /nfs/dbraw/zinc/22/03/10/607220310.db2.gz GLKILEUSYDLEBH-UHFFFAOYSA-N -1 1 396.459 0.618 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000823136232 607220618 /nfs/dbraw/zinc/22/06/18/607220618.db2.gz PORAVFBJBZSONC-UHFFFAOYSA-N -1 1 384.791 0.995 20 0 GCADMM CC[C@H]1Oc2cc([C@@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc2NC1=O ZINC000821000589 607220853 /nfs/dbraw/zinc/22/08/53/607220853.db2.gz GYRAWQMFTGUYGQ-BXKDBHETSA-N -1 1 397.399 0.445 20 0 GCADMM COc1cc(CC2CN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)cc(OC)c1 ZINC000821712717 607221565 /nfs/dbraw/zinc/22/15/65/607221565.db2.gz LOQRFMJGFLLYFL-UHFFFAOYSA-N -1 1 384.400 0.177 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1noc(Cc2ccccc2)n1 ZINC000820335139 607221851 /nfs/dbraw/zinc/22/18/51/607221851.db2.gz UEBXGTKRNIBSRZ-SNVBAGLBSA-N -1 1 380.372 0.309 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000823122682 607222027 /nfs/dbraw/zinc/22/20/27/607222027.db2.gz GETIJZPANJAFHM-HNNXBMFYSA-N -1 1 382.428 0.709 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000823127210 607222045 /nfs/dbraw/zinc/22/20/45/607222045.db2.gz WQLSVKMXVCKMTN-UHFFFAOYSA-N -1 1 375.343 0.085 20 0 GCADMM CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821043873 607222956 /nfs/dbraw/zinc/22/29/56/607222956.db2.gz UTTJVVRUYIMKHI-LLVKDONJSA-N -1 1 393.452 0.658 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000823135969 607223601 /nfs/dbraw/zinc/22/36/01/607223601.db2.gz DCBGOMJGERMYID-UHFFFAOYSA-N -1 1 395.358 0.446 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000823136089 607229157 /nfs/dbraw/zinc/22/91/57/607229157.db2.gz JMXDLFYYQRISJI-UHFFFAOYSA-N -1 1 396.371 0.075 20 0 GCADMM O=S(=O)(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573525 607230998 /nfs/dbraw/zinc/23/09/98/607230998.db2.gz VZZBMIOPOZXRHX-LLVKDONJSA-N -1 1 380.430 0.268 20 0 GCADMM O=S(=O)(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573525 607230999 /nfs/dbraw/zinc/23/09/99/607230999.db2.gz VZZBMIOPOZXRHX-LLVKDONJSA-N -1 1 380.430 0.268 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572870 607231055 /nfs/dbraw/zinc/23/10/55/607231055.db2.gz OCMJKBNAWVMAMI-YGRLFVJLSA-N -1 1 382.471 0.595 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572870 607231056 /nfs/dbraw/zinc/23/10/56/607231056.db2.gz OCMJKBNAWVMAMI-YGRLFVJLSA-N -1 1 382.471 0.595 20 0 GCADMM Cn1cnc(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)c1 ZINC000822699092 607233008 /nfs/dbraw/zinc/23/30/08/607233008.db2.gz NZFWHYUVOFXXIB-UHFFFAOYSA-N -1 1 395.383 0.811 20 0 GCADMM O=C(c1ccnnc1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823498266 607233132 /nfs/dbraw/zinc/23/31/32/607233132.db2.gz JENIKRSNPQDMPL-UHFFFAOYSA-N -1 1 393.367 0.867 20 0 GCADMM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825425006 607811812 /nfs/dbraw/zinc/81/18/12/607811812.db2.gz XCUQGVXFGDPADN-UHFFFAOYSA-N -1 1 393.878 0.575 20 0 GCADMM Cc1cccc(S(=O)(=O)Oc2cccc(OCC(N)=O)c2)c1-c1nn[n-]n1 ZINC000826304214 607818890 /nfs/dbraw/zinc/81/88/90/607818890.db2.gz CIPSHFRPTVWLNF-UHFFFAOYSA-N -1 1 389.393 0.807 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@@H]3CCO[C@H]3C)CC2)o1 ZINC000826322832 607845783 /nfs/dbraw/zinc/84/57/83/607845783.db2.gz DDERPSQLDYKKAU-CMPLNLGQSA-N -1 1 393.473 0.722 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC000826146254 607852895 /nfs/dbraw/zinc/85/28/95/607852895.db2.gz SMDBGAKGKFYHML-KMUNFCNLSA-N -1 1 397.432 0.963 20 0 GCADMM CCOC(=O)C1=C(COc2cccc(F)c2-c2nnn[n-]2)NC(=O)N[C@H]1C ZINC000825498707 607866051 /nfs/dbraw/zinc/86/60/51/607866051.db2.gz AYRMAJJJJDALMF-QMMMGPOBSA-N -1 1 376.348 0.903 20 0 GCADMM CCOC(=O)C1=C(COc2cccc(F)c2-c2nn[n-]n2)NC(=O)N[C@H]1C ZINC000825498707 607866052 /nfs/dbraw/zinc/86/60/52/607866052.db2.gz AYRMAJJJJDALMF-QMMMGPOBSA-N -1 1 376.348 0.903 20 0 GCADMM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826481761 607876533 /nfs/dbraw/zinc/87/65/33/607876533.db2.gz ICVFMFJQHJNEJN-CYBMUJFWSA-N -1 1 379.336 0.231 20 0 GCADMM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826481761 607876534 /nfs/dbraw/zinc/87/65/34/607876534.db2.gz ICVFMFJQHJNEJN-CYBMUJFWSA-N -1 1 379.336 0.231 20 0 GCADMM C[C@](O)(CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C1CC1 ZINC000824671459 607881708 /nfs/dbraw/zinc/88/17/08/607881708.db2.gz ZHOWJXFGGRCKHI-SFHVURJKSA-N -1 1 387.444 0.932 20 0 GCADMM O=C1CCc2cc(OC[C@@H](O)CNc3cccc(-c4nnn[n-]4)n3)ccc2N1 ZINC000826480667 607897537 /nfs/dbraw/zinc/89/75/37/607897537.db2.gz LKQSYXRRVVIYKR-LBPRGKRZSA-N -1 1 381.396 0.998 20 0 GCADMM O=C1CCc2cc(OC[C@@H](O)CNc3cccc(-c4nn[n-]n4)n3)ccc2N1 ZINC000826480667 607897538 /nfs/dbraw/zinc/89/75/38/607897538.db2.gz LKQSYXRRVVIYKR-LBPRGKRZSA-N -1 1 381.396 0.998 20 0 GCADMM O=C1CCc2cc(OC[C@H](O)CNc3cccc(-c4nnn[n-]4)n3)ccc2N1 ZINC000826480666 607897706 /nfs/dbraw/zinc/89/77/06/607897706.db2.gz LKQSYXRRVVIYKR-GFCCVEGCSA-N -1 1 381.396 0.998 20 0 GCADMM O=C1CCc2cc(OC[C@H](O)CNc3cccc(-c4nn[n-]n4)n3)ccc2N1 ZINC000826480666 607897707 /nfs/dbraw/zinc/89/77/07/607897707.db2.gz LKQSYXRRVVIYKR-GFCCVEGCSA-N -1 1 381.396 0.998 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(-n2ccnn2)cc1 ZINC000824641603 607906947 /nfs/dbraw/zinc/90/69/47/607906947.db2.gz XJJRZERWXWCZIU-LLVKDONJSA-N -1 1 397.424 0.882 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(-n2ccnn2)cc1 ZINC000824641603 607906948 /nfs/dbraw/zinc/90/69/48/607906948.db2.gz XJJRZERWXWCZIU-LLVKDONJSA-N -1 1 397.424 0.882 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825210462 607907215 /nfs/dbraw/zinc/90/72/15/607907215.db2.gz HGGPFDVOZHHEBG-AAEUAGOBSA-N -1 1 396.448 0.931 20 0 GCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825210462 607907216 /nfs/dbraw/zinc/90/72/16/607907216.db2.gz HGGPFDVOZHHEBG-AAEUAGOBSA-N -1 1 396.448 0.931 20 0 GCADMM COC[C@H](CCO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826149261 607907877 /nfs/dbraw/zinc/90/78/77/607907877.db2.gz DMADFKKIYJYPLH-JTQLQIEISA-N -1 1 378.458 0.988 20 0 GCADMM O=C(COC(=O)[C@H]1CCCO1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737908565 607917890 /nfs/dbraw/zinc/91/78/90/607917890.db2.gz NRTPWYXGUGCIHA-CYBMUJFWSA-N -1 1 383.368 0.713 20 0 GCADMM O=C(COC(=O)[C@H]1CCCO1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737908565 607917891 /nfs/dbraw/zinc/91/78/91/607917891.db2.gz NRTPWYXGUGCIHA-CYBMUJFWSA-N -1 1 383.368 0.713 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000826424902 607917908 /nfs/dbraw/zinc/91/79/08/607917908.db2.gz HWBZKHMGWZSZNA-LBPRGKRZSA-N -1 1 378.400 0.499 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(-c3nn[nH]n3)cc2F)co1 ZINC000826090770 607919388 /nfs/dbraw/zinc/91/93/88/607919388.db2.gz OHMXMVYRQRFRRX-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCOc2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826090926 607919399 /nfs/dbraw/zinc/91/93/99/607919399.db2.gz QVASCJFWQKNJLV-UHFFFAOYSA-N -1 1 393.381 0.604 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ncn1 ZINC000826266773 607940162 /nfs/dbraw/zinc/94/01/62/607940162.db2.gz ATRPPIPSDLEGMO-LBPRGKRZSA-N -1 1 395.431 0.175 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ncn1 ZINC000826266773 607940163 /nfs/dbraw/zinc/94/01/63/607940163.db2.gz ATRPPIPSDLEGMO-LBPRGKRZSA-N -1 1 395.431 0.175 20 0 GCADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489398 607971408 /nfs/dbraw/zinc/97/14/08/607971408.db2.gz OOLLMDPAFDAMFJ-SWLSCSKDSA-N -1 1 375.385 0.942 20 0 GCADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489398 607971409 /nfs/dbraw/zinc/97/14/09/607971409.db2.gz OOLLMDPAFDAMFJ-SWLSCSKDSA-N -1 1 375.385 0.942 20 0 GCADMM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489033 607971426 /nfs/dbraw/zinc/97/14/26/607971426.db2.gz GFXHKHTXGBYAPS-ZFWWWQNUSA-N -1 1 375.385 0.942 20 0 GCADMM COCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000826163239 607976009 /nfs/dbraw/zinc/97/60/09/607976009.db2.gz LSSWGNAPTNEHPB-UHFFFAOYSA-N -1 1 389.397 0.770 20 0 GCADMM COCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000826163239 607976010 /nfs/dbraw/zinc/97/60/10/607976010.db2.gz LSSWGNAPTNEHPB-UHFFFAOYSA-N -1 1 389.397 0.770 20 0 GCADMM NS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC000826394207 607997662 /nfs/dbraw/zinc/99/76/62/607997662.db2.gz AZDBUZMHTSULKR-UHFFFAOYSA-N -1 1 380.411 0.462 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824103848 607997750 /nfs/dbraw/zinc/99/77/50/607997750.db2.gz JYRVJVGHWPINHK-ZYHUDNBSSA-N -1 1 390.400 0.881 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCC[C@H](C)CO ZINC000826328578 608005931 /nfs/dbraw/zinc/00/59/31/608005931.db2.gz WGLIXECLCFBXEC-NSHDSACASA-N -1 1 386.460 0.984 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCC[C@H](C)CO ZINC000826328578 608005932 /nfs/dbraw/zinc/00/59/32/608005932.db2.gz WGLIXECLCFBXEC-NSHDSACASA-N -1 1 386.460 0.984 20 0 GCADMM Cc1cc(NC(=O)Cn2ccnc2-c2nnn[n-]2)n(-c2nc(C)cc(C)n2)n1 ZINC000826265904 608012797 /nfs/dbraw/zinc/01/27/97/608012797.db2.gz SCKQVRRKYSLISJ-UHFFFAOYSA-N -1 1 379.388 0.603 20 0 GCADMM Cc1cc(NC(=O)Cn2ccnc2-c2nn[n-]n2)n(-c2nc(C)cc(C)n2)n1 ZINC000826265904 608012798 /nfs/dbraw/zinc/01/27/98/608012798.db2.gz SCKQVRRKYSLISJ-UHFFFAOYSA-N -1 1 379.388 0.603 20 0 GCADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1S(=O)(=O)N(C)C ZINC000826291288 608013269 /nfs/dbraw/zinc/01/32/69/608013269.db2.gz YCSYRCLVUOAIIA-UHFFFAOYSA-N -1 1 390.429 0.261 20 0 GCADMM Cc1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1S(=O)(=O)N(C)C ZINC000826291288 608013270 /nfs/dbraw/zinc/01/32/70/608013270.db2.gz YCSYRCLVUOAIIA-UHFFFAOYSA-N -1 1 390.429 0.261 20 0 GCADMM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826103824 608057352 /nfs/dbraw/zinc/05/73/52/608057352.db2.gz LQPHEZAOAXGTJE-SSDOTTSWSA-N -1 1 395.775 0.995 20 0 GCADMM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826103824 608057353 /nfs/dbraw/zinc/05/73/53/608057353.db2.gz LQPHEZAOAXGTJE-SSDOTTSWSA-N -1 1 395.775 0.995 20 0 GCADMM CCOc1ccc(-c2nc(Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)co2)cc1 ZINC000825620779 608095458 /nfs/dbraw/zinc/09/54/58/608095458.db2.gz HUJQEGXETAFCRR-UHFFFAOYSA-N -1 1 395.379 0.829 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)COc2ccc(Cl)cc2)c1=O ZINC000826356221 608095865 /nfs/dbraw/zinc/09/58/65/608095865.db2.gz HFHTYMJAZIXPHW-UHFFFAOYSA-N -1 1 376.760 0.029 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccccc2C(F)(F)F)c1=O ZINC000826357299 608096301 /nfs/dbraw/zinc/09/63/01/608096301.db2.gz ZKWZJBCDFGMPPH-UHFFFAOYSA-N -1 1 382.302 0.825 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc(C(F)(F)F)cc2)c1=O ZINC000826356687 608096591 /nfs/dbraw/zinc/09/65/91/608096591.db2.gz AWXBKAVJFKTFLY-UHFFFAOYSA-N -1 1 382.302 0.825 20 0 GCADMM O=S(=O)(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487973 608097502 /nfs/dbraw/zinc/09/75/02/608097502.db2.gz FUCBZFCZTQKQEN-JLLWLGSASA-N -1 1 384.512 0.920 20 0 GCADMM O=S(=O)(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487973 608097503 /nfs/dbraw/zinc/09/75/03/608097503.db2.gz FUCBZFCZTQKQEN-JLLWLGSASA-N -1 1 384.512 0.920 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1CC(F)(F)F ZINC000824994941 608097905 /nfs/dbraw/zinc/09/79/05/608097905.db2.gz XRYHHMXYUWISOZ-VIFPVBQESA-N -1 1 391.379 0.519 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1CC(F)(F)F ZINC000824994941 608097906 /nfs/dbraw/zinc/09/79/06/608097906.db2.gz XRYHHMXYUWISOZ-VIFPVBQESA-N -1 1 391.379 0.519 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC[C@H]3SCCS[C@@H]23)n(C)c1=O ZINC000826355953 608098773 /nfs/dbraw/zinc/09/87/73/608098773.db2.gz UVASATSATXLZDX-MRTMQBJTSA-N -1 1 381.487 0.056 20 0 GCADMM COc1cccc(-c2cc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n(C)n2)c1 ZINC000826213556 608102106 /nfs/dbraw/zinc/10/21/06/608102106.db2.gz BHQSRZHDMSJQEY-UHFFFAOYSA-N -1 1 380.372 0.506 20 0 GCADMM NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000826393844 608107034 /nfs/dbraw/zinc/10/70/34/608107034.db2.gz LZZHNFKMLRKENR-UHFFFAOYSA-N -1 1 384.381 0.643 20 0 GCADMM O=C1OCC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCN12 ZINC000826483195 608112078 /nfs/dbraw/zinc/11/20/78/608112078.db2.gz DYJVUJKUVRGVQN-SECBINFHSA-N -1 1 382.377 0.221 20 0 GCADMM O=C1OCC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CCN12 ZINC000826483195 608112079 /nfs/dbraw/zinc/11/20/79/608112079.db2.gz DYJVUJKUVRGVQN-SECBINFHSA-N -1 1 382.377 0.221 20 0 GCADMM CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)Cc2ccccc21 ZINC000826223264 608117008 /nfs/dbraw/zinc/11/70/08/608117008.db2.gz GYVHTTHQDYFCSN-UHFFFAOYSA-N -1 1 399.436 0.684 20 0 GCADMM CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)Cc2ccccc21 ZINC000826223264 608117009 /nfs/dbraw/zinc/11/70/09/608117009.db2.gz GYVHTTHQDYFCSN-UHFFFAOYSA-N -1 1 399.436 0.684 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488842 608159250 /nfs/dbraw/zinc/15/92/50/608159250.db2.gz AFANLUGJBRAATQ-IAQYHMDHSA-N -1 1 383.405 0.622 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(F)(F)C1(O)CCC1 ZINC000824998956 608180316 /nfs/dbraw/zinc/18/03/16/608180316.db2.gz AZGMIWNBRQTQKQ-JTQLQIEISA-N -1 1 394.386 0.244 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(F)(F)C1(O)CCC1 ZINC000824998956 608180317 /nfs/dbraw/zinc/18/03/17/608180317.db2.gz AZGMIWNBRQTQKQ-JTQLQIEISA-N -1 1 394.386 0.244 20 0 GCADMM CC(C)(C)[C@@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824071198 608192771 /nfs/dbraw/zinc/19/27/71/608192771.db2.gz GSOFDLVCCAXDHK-LBPRGKRZSA-N -1 1 375.433 0.788 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2CC(N)=O)cc1-c1nn[n-]n1 ZINC000826229493 608204793 /nfs/dbraw/zinc/20/47/93/608204793.db2.gz GRBDZYGGECGXSB-QMMMGPOBSA-N -1 1 377.430 0.559 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ncn(-c2ccccc2)n1 ZINC000825938390 608207575 /nfs/dbraw/zinc/20/75/75/608207575.db2.gz RGRKQOLOONVSLC-UHFFFAOYSA-N -1 1 379.432 0.817 20 0 GCADMM CC(C)[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)N1CCCC1=O ZINC000824185161 608210774 /nfs/dbraw/zinc/21/07/74/608210774.db2.gz SBPQVIPUEKNZBY-CQSZACIVSA-N -1 1 389.464 0.210 20 0 GCADMM CC(C)[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)N1CCCC1=O ZINC000824185161 608210775 /nfs/dbraw/zinc/21/07/75/608210775.db2.gz SBPQVIPUEKNZBY-CQSZACIVSA-N -1 1 389.464 0.210 20 0 GCADMM CCN(CC)C(=O)CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825405417 608211027 /nfs/dbraw/zinc/21/10/27/608211027.db2.gz ARTDMVIVGPFBDI-UHFFFAOYSA-N -1 1 391.480 0.602 20 0 GCADMM CCN(CC)C(=O)CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825405417 608211028 /nfs/dbraw/zinc/21/10/28/608211028.db2.gz ARTDMVIVGPFBDI-UHFFFAOYSA-N -1 1 391.480 0.602 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(C(N)=O)cs1 ZINC000825935218 608211397 /nfs/dbraw/zinc/21/13/97/608211397.db2.gz XBWWHTFAYQRQLB-UHFFFAOYSA-N -1 1 375.418 0.037 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(C(N)=O)cs1 ZINC000825935218 608211399 /nfs/dbraw/zinc/21/13/99/608211399.db2.gz XBWWHTFAYQRQLB-UHFFFAOYSA-N -1 1 375.418 0.037 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cn1ncc2ccccc21 ZINC000825930118 608212884 /nfs/dbraw/zinc/21/28/84/608212884.db2.gz PWBGXFUSWXRJGS-UHFFFAOYSA-N -1 1 380.416 0.613 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cn1ncc2ccccc21 ZINC000825930118 608212885 /nfs/dbraw/zinc/21/28/85/608212885.db2.gz PWBGXFUSWXRJGS-UHFFFAOYSA-N -1 1 380.416 0.613 20 0 GCADMM O=C(CCCCO)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826406439 608214115 /nfs/dbraw/zinc/21/41/15/608214115.db2.gz XIFOSKHNHQFPFK-UHFFFAOYSA-N -1 1 387.400 0.926 20 0 GCADMM O=C(C1CC(=O)C1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826477936 608218324 /nfs/dbraw/zinc/21/83/24/608218324.db2.gz PVKKMHUWTGATPC-UHFFFAOYSA-N -1 1 383.368 0.742 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)c2ccc(Cl)cc2)n(C)c1=O ZINC000826355720 608240038 /nfs/dbraw/zinc/24/00/38/608240038.db2.gz KUCWLZLWJRFOCS-SNVBAGLBSA-N -1 1 377.792 0.063 20 0 GCADMM Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826322011 608241539 /nfs/dbraw/zinc/24/15/39/608241539.db2.gz XBMKLENBLRBDRC-ZDUSSCGKSA-N -1 1 390.429 0.364 20 0 GCADMM Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826322011 608241540 /nfs/dbraw/zinc/24/15/40/608241540.db2.gz XBMKLENBLRBDRC-ZDUSSCGKSA-N -1 1 390.429 0.364 20 0 GCADMM COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826098460 608246898 /nfs/dbraw/zinc/24/68/98/608246898.db2.gz FPLQLQSFZGNBOT-NSHDSACASA-N -1 1 394.457 0.862 20 0 GCADMM COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826098460 608246899 /nfs/dbraw/zinc/24/68/99/608246899.db2.gz FPLQLQSFZGNBOT-NSHDSACASA-N -1 1 394.457 0.862 20 0 GCADMM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826060277 608254156 /nfs/dbraw/zinc/25/41/56/608254156.db2.gz JRXQSCNAHNCMAZ-GMSGAONNSA-N -1 1 377.430 0.334 20 0 GCADMM CCc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1S(C)(=O)=O ZINC000825704945 608309159 /nfs/dbraw/zinc/30/91/59/608309159.db2.gz RAHHUHCLPRSGKG-UHFFFAOYSA-N -1 1 375.414 0.818 20 0 GCADMM CCc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1S(C)(=O)=O ZINC000825704945 608309161 /nfs/dbraw/zinc/30/91/61/608309161.db2.gz RAHHUHCLPRSGKG-UHFFFAOYSA-N -1 1 375.414 0.818 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824967625 608340138 /nfs/dbraw/zinc/34/01/38/608340138.db2.gz LPEYXESMDMLCFM-NXEZZACHSA-N -1 1 376.421 0.393 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824967625 608340140 /nfs/dbraw/zinc/34/01/40/608340140.db2.gz LPEYXESMDMLCFM-NXEZZACHSA-N -1 1 376.421 0.393 20 0 GCADMM O=S(=O)(N[C@@H]1CCCCC12OCCO2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488295 608341431 /nfs/dbraw/zinc/34/14/31/608341431.db2.gz MJWAWCBZLXDENS-CYBMUJFWSA-N -1 1 383.405 0.970 20 0 GCADMM Cc1ncsc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826331808 608351955 /nfs/dbraw/zinc/35/19/55/608351955.db2.gz YJRKWQNTXCDHGQ-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM Cc1ncsc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826331808 608351956 /nfs/dbraw/zinc/35/19/56/608351956.db2.gz YJRKWQNTXCDHGQ-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM Cc1cccnc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826307967 608352348 /nfs/dbraw/zinc/35/23/48/608352348.db2.gz CXUXIZUSZYZZCG-UHFFFAOYSA-N -1 1 383.416 0.777 20 0 GCADMM Cc1cccnc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826307967 608352350 /nfs/dbraw/zinc/35/23/50/608352350.db2.gz CXUXIZUSZYZZCG-UHFFFAOYSA-N -1 1 383.416 0.777 20 0 GCADMM Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826333832 608352387 /nfs/dbraw/zinc/35/23/87/608352387.db2.gz WRQZDKBXXNJTPK-UHFFFAOYSA-N -1 1 386.420 0.746 20 0 GCADMM Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826333832 608352389 /nfs/dbraw/zinc/35/23/89/608352389.db2.gz WRQZDKBXXNJTPK-UHFFFAOYSA-N -1 1 386.420 0.746 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCc3nccn3C2)n1 ZINC000824148535 608352727 /nfs/dbraw/zinc/35/27/27/608352727.db2.gz YVJWXCKUNUTZIH-SNVBAGLBSA-N -1 1 398.431 0.084 20 0 GCADMM CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824070852 608353024 /nfs/dbraw/zinc/35/30/24/608353024.db2.gz DMRHPKWQZJTOEY-SNVBAGLBSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824070852 608353025 /nfs/dbraw/zinc/35/30/25/608353025.db2.gz DMRHPKWQZJTOEY-SNVBAGLBSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@]2(C)CCOC2)n1 ZINC000824824900 608353673 /nfs/dbraw/zinc/35/36/73/608353673.db2.gz YGKGKKMIDGDSNP-INIZCTEOSA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@]2(C)CCOC2)n1 ZINC000824824900 608353675 /nfs/dbraw/zinc/35/36/75/608353675.db2.gz YGKGKKMIDGDSNP-INIZCTEOSA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H](O)C2)n1 ZINC000824147418 608354080 /nfs/dbraw/zinc/35/40/80/608354080.db2.gz CEPHBTCIVLUKCF-GHMZBOCLSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H](O)C2)n1 ZINC000824147418 608354082 /nfs/dbraw/zinc/35/40/82/608354082.db2.gz CEPHBTCIVLUKCF-GHMZBOCLSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)n1 ZINC000824148234 608354349 /nfs/dbraw/zinc/35/43/49/608354349.db2.gz POYXXNGUPOSDIC-JQWIXIFHSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)n1 ZINC000824148234 608354351 /nfs/dbraw/zinc/35/43/51/608354351.db2.gz POYXXNGUPOSDIC-JQWIXIFHSA-N -1 1 390.448 0.424 20 0 GCADMM COC[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826153760 608355654 /nfs/dbraw/zinc/35/56/54/608355654.db2.gz ZBVGGWKGOIYARB-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM COC[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826153760 608355657 /nfs/dbraw/zinc/35/56/57/608355657.db2.gz ZBVGGWKGOIYARB-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(C)CCOCC2)n1 ZINC000824823055 608356134 /nfs/dbraw/zinc/35/61/34/608356134.db2.gz KKJAIWLTBISBOE-UHFFFAOYSA-N -1 1 390.448 0.690 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2(C)CCOCC2)n1 ZINC000824823055 608356136 /nfs/dbraw/zinc/35/61/36/608356136.db2.gz KKJAIWLTBISBOE-UHFFFAOYSA-N -1 1 390.448 0.690 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@]2(C)CCCO2)n1 ZINC000824824217 608356146 /nfs/dbraw/zinc/35/61/46/608356146.db2.gz RWPKQJUYOSQTSW-INIZCTEOSA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@]2(C)CCCO2)n1 ZINC000824824217 608356147 /nfs/dbraw/zinc/35/61/47/608356147.db2.gz RWPKQJUYOSQTSW-INIZCTEOSA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)n1 ZINC000824148224 608357752 /nfs/dbraw/zinc/35/77/52/608357752.db2.gz PHTJCSSXLAPEPA-NSHDSACASA-N -1 1 398.431 0.674 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC(C)(O)CC2)n1 ZINC000824844314 608357854 /nfs/dbraw/zinc/35/78/54/608357854.db2.gz VRPGZLZBGITHEU-UHFFFAOYSA-N -1 1 376.421 0.130 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC(C)(O)CC2)n1 ZINC000824844314 608357852 /nfs/dbraw/zinc/35/78/52/608357852.db2.gz VRPGZLZBGITHEU-UHFFFAOYSA-N -1 1 376.421 0.130 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC(C)(C)CCCO)n1 ZINC000824152584 608357996 /nfs/dbraw/zinc/35/79/96/608357996.db2.gz IPVSAFPDOOKNKH-UHFFFAOYSA-N -1 1 392.464 0.672 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC(C)(C)CCCO)n1 ZINC000824152584 608357997 /nfs/dbraw/zinc/35/79/97/608357997.db2.gz IPVSAFPDOOKNKH-UHFFFAOYSA-N -1 1 392.464 0.672 20 0 GCADMM CCC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000825254192 608358474 /nfs/dbraw/zinc/35/84/74/608358474.db2.gz QZTUPDZBTALNOD-NSHDSACASA-N -1 1 390.448 0.784 20 0 GCADMM CCC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000825254192 608358476 /nfs/dbraw/zinc/35/84/76/608358476.db2.gz QZTUPDZBTALNOD-NSHDSACASA-N -1 1 390.448 0.784 20 0 GCADMM CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825134439 608358599 /nfs/dbraw/zinc/35/85/99/608358599.db2.gz UMAXSQMHDFGHJJ-NEPJUHHUSA-N -1 1 390.448 0.831 20 0 GCADMM CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825134439 608358601 /nfs/dbraw/zinc/35/86/01/608358601.db2.gz UMAXSQMHDFGHJJ-NEPJUHHUSA-N -1 1 390.448 0.831 20 0 GCADMM CC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825134441 608358641 /nfs/dbraw/zinc/35/86/41/608358641.db2.gz UMAXSQMHDFGHJJ-NWDGAFQWSA-N -1 1 390.448 0.831 20 0 GCADMM CC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825134441 608358642 /nfs/dbraw/zinc/35/86/42/608358642.db2.gz UMAXSQMHDFGHJJ-NWDGAFQWSA-N -1 1 390.448 0.831 20 0 GCADMM Cc1nnc2c(N3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)nccn12 ZINC000826337339 608365734 /nfs/dbraw/zinc/36/57/34/608365734.db2.gz LDKDNGOOIDOXAO-UHFFFAOYSA-N -1 1 393.415 0.805 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@](C)(O)C1 ZINC000826328021 608386393 /nfs/dbraw/zinc/38/63/93/608386393.db2.gz CZNGIENEZHYZBD-GOSISDBHSA-N -1 1 384.444 0.832 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@](C)(O)C1 ZINC000826328021 608386396 /nfs/dbraw/zinc/38/63/96/608386396.db2.gz CZNGIENEZHYZBD-GOSISDBHSA-N -1 1 384.444 0.832 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1ncon1 ZINC000826327935 608387269 /nfs/dbraw/zinc/38/72/69/608387269.db2.gz ACTDIPXQYPQTCF-VIFPVBQESA-N -1 1 382.388 0.719 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1ncon1 ZINC000826327935 608387271 /nfs/dbraw/zinc/38/72/71/608387271.db2.gz ACTDIPXQYPQTCF-VIFPVBQESA-N -1 1 382.388 0.719 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@]2(C)CCCc3ccccc32)n(C)c1=O ZINC000826355806 608412302 /nfs/dbraw/zinc/41/23/02/608412302.db2.gz NSAVFJSIHYZEKE-IBGZPJMESA-N -1 1 381.440 0.970 20 0 GCADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1 ZINC000826256030 608415438 /nfs/dbraw/zinc/41/54/38/608415438.db2.gz SDACDRITXOYRLV-UHFFFAOYSA-N -1 1 398.408 0.951 20 0 GCADMM CN(C)C(=O)c1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cn1C ZINC000825846006 608421773 /nfs/dbraw/zinc/42/17/73/608421773.db2.gz PGXMCVGIICNNRV-UHFFFAOYSA-N -1 1 394.388 0.814 20 0 GCADMM CN(C)C(=O)c1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cn1C ZINC000825846006 608421774 /nfs/dbraw/zinc/42/17/74/608421774.db2.gz PGXMCVGIICNNRV-UHFFFAOYSA-N -1 1 394.388 0.814 20 0 GCADMM Cc1nn(C)c(C)c1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826333677 608423907 /nfs/dbraw/zinc/42/39/07/608423907.db2.gz QSTSEJPMOCFCSY-UHFFFAOYSA-N -1 1 376.446 0.523 20 0 GCADMM Cc1nn(C)c(C)c1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826333677 608423908 /nfs/dbraw/zinc/42/39/08/608423908.db2.gz QSTSEJPMOCFCSY-UHFFFAOYSA-N -1 1 376.446 0.523 20 0 GCADMM COc1cc(OC)cc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2=O)c1 ZINC000826181333 608427860 /nfs/dbraw/zinc/42/78/60/608427860.db2.gz VBSGADNAIGCXQH-CQSZACIVSA-N -1 1 382.384 0.891 20 0 GCADMM COc1cc(OC)cc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2=O)c1 ZINC000826181333 608427862 /nfs/dbraw/zinc/42/78/62/608427862.db2.gz VBSGADNAIGCXQH-CQSZACIVSA-N -1 1 382.384 0.891 20 0 GCADMM CO[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826145438 608472298 /nfs/dbraw/zinc/47/22/98/608472298.db2.gz GNHIAKKMWYFZTJ-JQWIXIFHSA-N -1 1 390.448 0.688 20 0 GCADMM CO[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826145438 608472300 /nfs/dbraw/zinc/47/23/00/608472300.db2.gz GNHIAKKMWYFZTJ-JQWIXIFHSA-N -1 1 390.448 0.688 20 0 GCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826145440 608472381 /nfs/dbraw/zinc/47/23/81/608472381.db2.gz GNHIAKKMWYFZTJ-ZYHUDNBSSA-N -1 1 390.448 0.688 20 0 GCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826145440 608472382 /nfs/dbraw/zinc/47/23/82/608472382.db2.gz GNHIAKKMWYFZTJ-ZYHUDNBSSA-N -1 1 390.448 0.688 20 0 GCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826409521 608489430 /nfs/dbraw/zinc/48/94/30/608489430.db2.gz DACWAGGMRBUXSX-UHFFFAOYSA-N -1 1 393.407 0.423 20 0 GCADMM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825394831 608498131 /nfs/dbraw/zinc/49/81/31/608498131.db2.gz IACOGDAEDFONLP-SNVBAGLBSA-N -1 1 384.487 0.053 20 0 GCADMM O=c1cc(CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)nc2sccn21 ZINC000826501956 608507983 /nfs/dbraw/zinc/50/79/83/608507983.db2.gz OEAORJZOICTUAI-UHFFFAOYSA-N -1 1 398.452 0.847 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000825930765 608548978 /nfs/dbraw/zinc/54/89/78/608548978.db2.gz YKNVLNYDPZVBKI-UHFFFAOYSA-N -1 1 395.378 0.730 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000825930765 608548980 /nfs/dbraw/zinc/54/89/80/608548980.db2.gz YKNVLNYDPZVBKI-UHFFFAOYSA-N -1 1 395.378 0.730 20 0 GCADMM CNC(=O)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826068729 608549134 /nfs/dbraw/zinc/54/91/34/608549134.db2.gz XWFXDQOYESYKIY-UHFFFAOYSA-N -1 1 398.431 0.628 20 0 GCADMM CNC(=O)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826068729 608549135 /nfs/dbraw/zinc/54/91/35/608549135.db2.gz XWFXDQOYESYKIY-UHFFFAOYSA-N -1 1 398.431 0.628 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2c(cc1O)OCO2 ZINC000825933937 608555329 /nfs/dbraw/zinc/55/53/29/608555329.db2.gz JBVIKTIGQAUKAR-UHFFFAOYSA-N -1 1 386.372 0.311 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2c(cc1O)OCO2 ZINC000825933937 608555331 /nfs/dbraw/zinc/55/53/31/608555331.db2.gz JBVIKTIGQAUKAR-UHFFFAOYSA-N -1 1 386.372 0.311 20 0 GCADMM CN(C)C(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825846098 608556365 /nfs/dbraw/zinc/55/63/65/608556365.db2.gz RBQJPBLJBBTDHY-UHFFFAOYSA-N -1 1 397.443 0.579 20 0 GCADMM CN(C)C(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825846098 608556366 /nfs/dbraw/zinc/55/63/66/608556366.db2.gz RBQJPBLJBBTDHY-UHFFFAOYSA-N -1 1 397.443 0.579 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000825933936 608556631 /nfs/dbraw/zinc/55/66/31/608556631.db2.gz JBTUAPALUFTGCY-UHFFFAOYSA-N -1 1 383.372 0.724 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000825933936 608556633 /nfs/dbraw/zinc/55/66/33/608556633.db2.gz JBTUAPALUFTGCY-UHFFFAOYSA-N -1 1 383.372 0.724 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CCCN1c1ncccn1 ZINC000825923598 608558039 /nfs/dbraw/zinc/55/80/39/608558039.db2.gz NUIZZTOWZUVAKY-LBPRGKRZSA-N -1 1 397.447 0.022 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CCCN1c1ncccn1 ZINC000825923598 608558041 /nfs/dbraw/zinc/55/80/41/608558041.db2.gz NUIZZTOWZUVAKY-LBPRGKRZSA-N -1 1 397.447 0.022 20 0 GCADMM Cc1nc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)s1 ZINC000826325023 608559643 /nfs/dbraw/zinc/55/96/43/608559643.db2.gz LQDIMUYMCYGLAZ-UHFFFAOYSA-N -1 1 375.462 0.879 20 0 GCADMM Cc1nc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)s1 ZINC000826325023 608559645 /nfs/dbraw/zinc/55/96/45/608559645.db2.gz LQDIMUYMCYGLAZ-UHFFFAOYSA-N -1 1 375.462 0.879 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCC(=O)NC1CCCC1 ZINC000825923265 608560145 /nfs/dbraw/zinc/56/01/45/608560145.db2.gz DZKIJZIIBQONLZ-UHFFFAOYSA-N -1 1 389.464 0.402 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCC(=O)NC1CCCC1 ZINC000825923265 608560146 /nfs/dbraw/zinc/56/01/46/608560146.db2.gz DZKIJZIIBQONLZ-UHFFFAOYSA-N -1 1 389.464 0.402 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000825923554 608560503 /nfs/dbraw/zinc/56/05/03/608560503.db2.gz MAFZHUMPGRIKDT-CQSZACIVSA-N -1 1 395.427 0.756 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000825923554 608560505 /nfs/dbraw/zinc/56/05/05/608560505.db2.gz MAFZHUMPGRIKDT-CQSZACIVSA-N -1 1 395.427 0.756 20 0 GCADMM Cc1sc(=O)n(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000826349239 608560888 /nfs/dbraw/zinc/56/08/88/608560888.db2.gz ANZFTAUOLFNPKT-UHFFFAOYSA-N -1 1 391.461 0.103 20 0 GCADMM Cc1sc(=O)n(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826349239 608560890 /nfs/dbraw/zinc/56/08/90/608560890.db2.gz ANZFTAUOLFNPKT-UHFFFAOYSA-N -1 1 391.461 0.103 20 0 GCADMM CC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)OCCO1 ZINC000824824676 608561925 /nfs/dbraw/zinc/56/19/25/608561925.db2.gz WTMBXWHQHGULMT-UHFFFAOYSA-N -1 1 393.347 0.927 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCSC[C@@H]1CO ZINC000826494622 608567457 /nfs/dbraw/zinc/56/74/57/608567457.db2.gz JWLJWHLEIQWKMK-VIFPVBQESA-N -1 1 375.863 0.619 20 0 GCADMM C[C@@H](O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826231961 608583271 /nfs/dbraw/zinc/58/32/71/608583271.db2.gz WQACWUDLWUIMLB-SNVBAGLBSA-N -1 1 387.400 0.828 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccc(F)c(Br)c2)n(C)c1=O ZINC000826355539 608588161 /nfs/dbraw/zinc/58/81/61/608588161.db2.gz DTGYSVJTNFGASN-UHFFFAOYSA-N -1 1 397.164 0.958 20 0 GCADMM COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826133581 608589175 /nfs/dbraw/zinc/58/91/75/608589175.db2.gz NNILMLXADOPALW-NHYWBVRUSA-N -1 1 380.430 0.662 20 0 GCADMM COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826133581 608589177 /nfs/dbraw/zinc/58/91/77/608589177.db2.gz NNILMLXADOPALW-NHYWBVRUSA-N -1 1 380.430 0.662 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCO1 ZINC000824892322 608761638 /nfs/dbraw/zinc/76/16/38/608761638.db2.gz GTDVEMRMAKYGKY-UPJWGTAASA-N -1 1 387.448 0.444 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCO1 ZINC000824892322 608761641 /nfs/dbraw/zinc/76/16/41/608761641.db2.gz GTDVEMRMAKYGKY-UPJWGTAASA-N -1 1 387.448 0.444 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCO1 ZINC000824892321 608761940 /nfs/dbraw/zinc/76/19/40/608761940.db2.gz GTDVEMRMAKYGKY-JHJVBQTASA-N -1 1 387.448 0.444 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCO1 ZINC000824892321 608761942 /nfs/dbraw/zinc/76/19/42/608761942.db2.gz GTDVEMRMAKYGKY-JHJVBQTASA-N -1 1 387.448 0.444 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc2cnccn12 ZINC000824999796 608834107 /nfs/dbraw/zinc/83/41/07/608834107.db2.gz JVNMPSSVITVDAE-GFCCVEGCSA-N -1 1 377.416 0.410 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc2cnccn12 ZINC000824999796 608834109 /nfs/dbraw/zinc/83/41/09/608834109.db2.gz JVNMPSSVITVDAE-GFCCVEGCSA-N -1 1 377.416 0.410 20 0 GCADMM CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825308271 608891627 /nfs/dbraw/zinc/89/16/27/608891627.db2.gz YWJFZYDGXXVAEM-UHFFFAOYSA-N -1 1 398.427 0.949 20 0 GCADMM CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825308271 608891629 /nfs/dbraw/zinc/89/16/29/608891629.db2.gz YWJFZYDGXXVAEM-UHFFFAOYSA-N -1 1 398.427 0.949 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CCO)c1ccc(F)cc1F ZINC000826494676 608893674 /nfs/dbraw/zinc/89/36/74/608893674.db2.gz LMKKJXMHHYTFSZ-UHFFFAOYSA-N -1 1 382.352 0.728 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CCO)c1ccc(F)cc1F ZINC000826494676 608893675 /nfs/dbraw/zinc/89/36/75/608893675.db2.gz LMKKJXMHHYTFSZ-UHFFFAOYSA-N -1 1 382.352 0.728 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000826425234 608893928 /nfs/dbraw/zinc/89/39/28/608893928.db2.gz VURVBGBDHYEGDV-CYBMUJFWSA-N -1 1 385.409 0.407 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000826425234 608893932 /nfs/dbraw/zinc/89/39/32/608893932.db2.gz VURVBGBDHYEGDV-CYBMUJFWSA-N -1 1 385.409 0.407 20 0 GCADMM CC[C@H](C)Oc1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccn1 ZINC000825075813 609172619 /nfs/dbraw/zinc/17/26/19/609172619.db2.gz QTQNUTCJCCXONY-JTQLQIEISA-N -1 1 386.416 0.449 20 0 GCADMM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824270741 609265700 /nfs/dbraw/zinc/26/57/00/609265700.db2.gz FQAIEOVZCNNYTQ-UHFFFAOYSA-N -1 1 393.473 0.442 20 0 GCADMM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824270741 609265702 /nfs/dbraw/zinc/26/57/02/609265702.db2.gz FQAIEOVZCNNYTQ-UHFFFAOYSA-N -1 1 393.473 0.442 20 0 GCADMM Cc1n[nH]cc1CCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826233764 609269998 /nfs/dbraw/zinc/26/99/98/609269998.db2.gz VFIXZAYJWUENTE-UHFFFAOYSA-N -1 1 387.452 0.410 20 0 GCADMM O=S1(=O)CCCN1CCNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826496641 609277893 /nfs/dbraw/zinc/27/78/93/609277893.db2.gz CKCGOLMMWOBNRT-UHFFFAOYSA-N -1 1 392.420 0.639 20 0 GCADMM C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)S(C)(=O)=O ZINC000824045254 609288341 /nfs/dbraw/zinc/28/83/41/609288341.db2.gz KABUZRGAAODTBL-MRVPVSSYSA-N -1 1 379.377 0.563 20 0 GCADMM CN1N=C(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1=O ZINC000826052218 609290438 /nfs/dbraw/zinc/29/04/38/609290438.db2.gz QEGLJEUMQPDXEX-UHFFFAOYSA-N -1 1 383.347 0.738 20 0 GCADMM NC(=O)c1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nc1 ZINC000826393249 609291405 /nfs/dbraw/zinc/29/14/05/609291405.db2.gz JRIGZWPEKDJCSC-UHFFFAOYSA-N -1 1 393.342 0.938 20 0 GCADMM CC[C@H](C)NC(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825067054 609300032 /nfs/dbraw/zinc/30/00/32/609300032.db2.gz GUWWVXRDZFFJQX-JTQLQIEISA-N -1 1 392.468 0.051 20 0 GCADMM CC[C@H](C)NC(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825067054 609300034 /nfs/dbraw/zinc/30/00/34/609300034.db2.gz GUWWVXRDZFFJQX-JTQLQIEISA-N -1 1 392.468 0.051 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000825930345 609301143 /nfs/dbraw/zinc/30/11/43/609301143.db2.gz UCJDUTRREAYECM-NSHDSACASA-N -1 1 399.463 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000825930345 609301145 /nfs/dbraw/zinc/30/11/45/609301145.db2.gz UCJDUTRREAYECM-NSHDSACASA-N -1 1 399.463 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCc1cnn(C)c1 ZINC000825930798 609302677 /nfs/dbraw/zinc/30/26/77/609302677.db2.gz ZWYNKIXTLDPQGG-UHFFFAOYSA-N -1 1 387.452 0.112 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCc1cnn(C)c1 ZINC000825930798 609302679 /nfs/dbraw/zinc/30/26/79/609302679.db2.gz ZWYNKIXTLDPQGG-UHFFFAOYSA-N -1 1 387.452 0.112 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(O)c(F)c1 ZINC000825930722 609302693 /nfs/dbraw/zinc/30/26/93/609302693.db2.gz XFTOXIJPVHSUMA-UHFFFAOYSA-N -1 1 389.395 0.791 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(O)c(F)c1 ZINC000825930722 609302694 /nfs/dbraw/zinc/30/26/94/609302694.db2.gz XFTOXIJPVHSUMA-UHFFFAOYSA-N -1 1 389.395 0.791 20 0 GCADMM CC(C)C[C@@H](CCO)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824237918 609303433 /nfs/dbraw/zinc/30/34/33/609303433.db2.gz WSKLXRYGESWPNI-GFCCVEGCSA-N -1 1 393.496 0.791 20 0 GCADMM CC(C)C[C@@H](CCO)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824237918 609303434 /nfs/dbraw/zinc/30/34/34/609303434.db2.gz WSKLXRYGESWPNI-GFCCVEGCSA-N -1 1 393.496 0.791 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000825929185 609304116 /nfs/dbraw/zinc/30/41/16/609304116.db2.gz CDXKQOXNPSKZET-ZWKOPEQDSA-N -1 1 389.464 0.560 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000825929185 609304118 /nfs/dbraw/zinc/30/41/18/609304118.db2.gz CDXKQOXNPSKZET-ZWKOPEQDSA-N -1 1 389.464 0.560 20 0 GCADMM CO[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1(C)C ZINC000826144970 609305106 /nfs/dbraw/zinc/30/51/06/609305106.db2.gz WUZMIHKJIHAZRP-MNOVXSKESA-N -1 1 377.453 0.560 20 0 GCADMM CO[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1(C)C ZINC000826144970 609305109 /nfs/dbraw/zinc/30/51/09/609305109.db2.gz WUZMIHKJIHAZRP-MNOVXSKESA-N -1 1 377.453 0.560 20 0 GCADMM C[C@H](C[C@H]1CCOC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824402954 609309410 /nfs/dbraw/zinc/30/94/10/609309410.db2.gz ZGQZBYZJFDIQGB-GHMZBOCLSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@H](C[C@H]1CCOC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824402954 609309411 /nfs/dbraw/zinc/30/94/11/609309411.db2.gz ZGQZBYZJFDIQGB-GHMZBOCLSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000824492463 609309419 /nfs/dbraw/zinc/30/94/19/609309419.db2.gz ZGTUDRLNOGYVBQ-GHMZBOCLSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824492463 609309420 /nfs/dbraw/zinc/30/94/20/609309420.db2.gz ZGTUDRLNOGYVBQ-GHMZBOCLSA-N -1 1 377.453 0.561 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(Cl)cn1 ZINC000825929859 609309903 /nfs/dbraw/zinc/30/99/03/609309903.db2.gz MSFDASXVZGADKD-UHFFFAOYSA-N -1 1 390.839 0.995 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(Cl)cn1 ZINC000825929859 609309905 /nfs/dbraw/zinc/30/99/05/609309905.db2.gz MSFDASXVZGADKD-UHFFFAOYSA-N -1 1 390.839 0.995 20 0 GCADMM CO[C@@H]1[C@H](C)[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1(C)C 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/nfs/dbraw/zinc/32/89/70/609328970.db2.gz DOMUESPLSYQBPO-PWSUYJOCSA-N -1 1 399.404 0.347 20 0 GCADMM COCCN(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826157972 609356061 /nfs/dbraw/zinc/35/60/61/609356061.db2.gz UJPUDDZZMHZJDY-UHFFFAOYSA-N -1 1 388.363 0.235 20 0 GCADMM CN1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1=O ZINC000826017641 609356090 /nfs/dbraw/zinc/35/60/90/609356090.db2.gz MNMXPKAKXDUOQS-VIFPVBQESA-N -1 1 385.363 0.544 20 0 GCADMM CN1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1=O ZINC000826017640 609356187 /nfs/dbraw/zinc/35/61/87/609356187.db2.gz MNMXPKAKXDUOQS-SECBINFHSA-N -1 1 385.363 0.544 20 0 GCADMM C[S@@](=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826224817 609358917 /nfs/dbraw/zinc/35/89/17/609358917.db2.gz MKZUQVDKGQAUSE-AREMUKBSSA-N -1 1 378.393 0.692 20 0 GCADMM CCNC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825465172 609359149 /nfs/dbraw/zinc/35/91/49/609359149.db2.gz IYMPWRJLDWNAMM-SECBINFHSA-N -1 1 387.379 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609369094 /nfs/dbraw/zinc/36/90/94/609369094.db2.gz XCSBWQKIDCCTHD-RYUDHWBXSA-N -1 1 392.416 0.667 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000826425288 609399776 /nfs/dbraw/zinc/39/97/76/609399776.db2.gz XBUINNXCWOKZHD-UHFFFAOYSA-N -1 1 376.384 0.229 20 0 GCADMM CC[C@](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)(C(N)=O)C(C)C ZINC000825134391 609410230 /nfs/dbraw/zinc/41/02/30/609410230.db2.gz SXMIHJBKDHXAMI-GOSISDBHSA-N -1 1 389.460 0.923 20 0 GCADMM CC[C@@](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)(C(N)=O)C(C)C ZINC000825134392 609410332 /nfs/dbraw/zinc/41/03/32/609410332.db2.gz SXMIHJBKDHXAMI-SFHVURJKSA-N -1 1 389.460 0.923 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826472528 609423987 /nfs/dbraw/zinc/42/39/87/609423987.db2.gz NJICAWAEMAJVQC-UHFFFAOYSA-N -1 1 382.471 0.615 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826472528 609423989 /nfs/dbraw/zinc/42/39/89/609423989.db2.gz NJICAWAEMAJVQC-UHFFFAOYSA-N -1 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ZINC000826325052 609497387 /nfs/dbraw/zinc/49/73/87/609497387.db2.gz MJDAYOFKVOVKFL-LBPRGKRZSA-N -1 1 395.376 0.459 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cncc(O)c1 ZINC000824999208 609500997 /nfs/dbraw/zinc/50/09/97/609500997.db2.gz DWAHGLGPDDLBAZ-QAVQXKDTSA-N -1 1 393.411 0.508 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cncc(O)c1 ZINC000824999208 609500999 /nfs/dbraw/zinc/50/09/99/609500999.db2.gz DWAHGLGPDDLBAZ-QAVQXKDTSA-N -1 1 393.411 0.508 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)c1cnn(C)c1 ZINC000825000553 609506165 /nfs/dbraw/zinc/50/61/65/609506165.db2.gz SGKLWISGQAGCRY-GFCCVEGCSA-N -1 1 396.459 0.405 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)c1cnn(C)c1 ZINC000825000553 609506167 /nfs/dbraw/zinc/50/61/67/609506167.db2.gz SGKLWISGQAGCRY-GFCCVEGCSA-N -1 1 396.459 0.405 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1S(C)(=O)=O ZINC000825938423 609541044 /nfs/dbraw/zinc/54/10/44/609541044.db2.gz 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O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000826494834 609609911 /nfs/dbraw/zinc/60/99/11/609609911.db2.gz RFISUBYWJRABMT-GFCCVEGCSA-N -1 1 394.457 0.468 20 0 GCADMM CN1CCO[C@@H](CS(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000866839980 638429295 /nfs/dbraw/zinc/42/92/95/638429295.db2.gz SMESYCWBPDWRBM-ZIAGYGMSSA-N -1 1 382.404 0.687 20 0 GCADMM COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(I)ccc1[O-] ZINC000234564190 638470792 /nfs/dbraw/zinc/47/07/92/638470792.db2.gz OECLOKGVRIBJHA-PSASIEDQSA-N -1 1 391.161 0.745 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051406 638490745 /nfs/dbraw/zinc/49/07/45/638490745.db2.gz IJDGCJHWYXQFJM-NSHDSACASA-N -1 1 375.520 0.731 20 0 GCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000866859642 638524215 /nfs/dbraw/zinc/52/42/15/638524215.db2.gz OFRDNSGZGDZWHR-CMJOXMDJSA-N -1 1 375.516 0.576 20 0 GCADMM C[C@@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)N1CCN(C)CC1 ZINC000866858043 638524316 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ZINC001186319434 1205937465 /nfs/dbraw/zinc/93/74/65/1205937465.db2.gz VXZREIAMIGYLOE-UHFFFAOYSA-N -1 1 375.360 0.617 20 0 GCADMM COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)c2ccc([O-])cc2F)C1 ZINC001186327772 1205937686 /nfs/dbraw/zinc/93/76/86/1205937686.db2.gz QNNIBDAJWGGLKS-GFCCVEGCSA-N -1 1 376.388 0.763 20 0 GCADMM CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)c3ccc([O-])cc3F)C2)C1 ZINC001186327077 1205937738 /nfs/dbraw/zinc/93/77/38/1205937738.db2.gz JNRSEELOPDFMFR-LJQANCHMSA-N -1 1 379.432 0.832 20 0 GCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCC(=O)N1CCc2ccccc21 ZINC001186653180 1205944935 /nfs/dbraw/zinc/94/49/35/1205944935.db2.gz PITGRUXAWNJWJV-UHFFFAOYSA-N -1 1 392.437 0.844 20 0 GCADMM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)C1 ZINC001186808514 1205947904 /nfs/dbraw/zinc/94/79/04/1205947904.db2.gz VODLYTOIUVRHDZ-HUTHGQBESA-N -1 1 389.368 0.505 20 0 GCADMM O=S(=O)([N-]C[C@@H]1Cn2nnc(-c3cccnc3)c2CO1)c1nccs1 ZINC001187901908 1205970605 /nfs/dbraw/zinc/97/06/05/1205970605.db2.gz KVHIDYIOPLWLME-LLVKDONJSA-N -1 1 378.439 0.674 20 0 GCADMM CCc1cc(N2CCC(NS(=O)(=O)c3cc(C(=O)OC)n[n-]3)CC2)ncn1 ZINC001187876973 1205970982 /nfs/dbraw/zinc/97/09/82/1205970982.db2.gz ZRHCNXJBJPUHHO-UHFFFAOYSA-N -1 1 394.457 0.496 20 0 GCADMM CCc1cc(N2CCC(NS(=O)(=O)c3cc(C(=O)OC)[n-]n3)CC2)ncn1 ZINC001187876973 1205970984 /nfs/dbraw/zinc/97/09/84/1205970984.db2.gz ZRHCNXJBJPUHHO-UHFFFAOYSA-N -1 1 394.457 0.496 20 0 GCADMM CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)[N-]C(CO)(CO)CO)c2o1 ZINC001188193420 1205976593 /nfs/dbraw/zinc/97/65/93/1205976593.db2.gz DRQZXDSTOAVKEK-UHFFFAOYSA-N -1 1 392.861 0.773 20 0 GCADMM O=[P@]([O-])(O)CCCCNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188548841 1205987228 /nfs/dbraw/zinc/98/72/28/1205987228.db2.gz BANPRVBEYKZXCV-UHFFFAOYSA-N -1 1 379.375 0.154 20 0 GCADMM O=C(C[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1)N1CCOCC1 ZINC001189045843 1205994546 /nfs/dbraw/zinc/99/45/46/1205994546.db2.gz GPQJSIRSVQGAGH-UHFFFAOYSA-N -1 1 399.213 0.864 20 0 GCADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(S(C)(=O)=O)s1 ZINC001189209598 1205999182 /nfs/dbraw/zinc/99/91/82/1205999182.db2.gz FLHMKWGGSBHCQZ-FQEVSTJZSA-N -1 1 375.519 0.060 20 0 GCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCCN(C2CCCCC2)C1=O ZINC001189246023 1206000864 /nfs/dbraw/zinc/00/08/64/1206000864.db2.gz LPBOISNYXBQIPJ-CYBMUJFWSA-N -1 1 384.458 0.798 20 0 GCADMM C[NH+]1CCN(c2cc(NC(=O)c3ccccc3OP(=O)([O-])[O-])ncn2)CC1 ZINC001189860816 1206017634 /nfs/dbraw/zinc/01/76/34/1206017634.db2.gz OJIFXUYKNRTWIJ-UHFFFAOYSA-N -1 1 393.340 0.952 20 0 GCADMM Cc1cc(=O)oc2cc(NC(=O)[C@H](CO)[N-]S(=O)(=O)CCCF)ccc12 ZINC001189947740 1206023461 /nfs/dbraw/zinc/02/34/61/1206023461.db2.gz AHKSYADCMBACAU-ZDUSSCGKSA-N -1 1 386.401 0.680 20 0 GCADMM CN(C)C(=O)CN1CCOCC2(CCN(c3nccnc3CC(=O)[O-])CC2)C1 ZINC001164875615 721283882 /nfs/dbraw/zinc/28/38/82/721283882.db2.gz XWEWUOUAJKGCQI-UHFFFAOYSA-N -1 1 391.472 0.111 20 0 GCADMM Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(C)cc4c3C(=O)[N-]C4=O)C[C@@H]21 ZINC001164950671 721955245 /nfs/dbraw/zinc/95/52/45/721955245.db2.gz XDVDFPFJLHDXFV-JKSUJKDBSA-N -1 1 397.435 0.968 20 0 GCADMM Cc1nn(CC(=O)c2ccc(N3CCOC3=O)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513303 945086612 /nfs/dbraw/zinc/08/66/12/945086612.db2.gz KBBKKFWWNKQOLJ-UHFFFAOYSA-N -1 1 395.379 0.880 20 0 GCADMM CC(=O)N1CCN([C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000819796874 945294587 /nfs/dbraw/zinc/29/45/87/945294587.db2.gz QFRCDZMBYBYAQO-MWLCHTKSSA-N -1 1 396.908 0.965 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc3oc(C(=O)OC)cc3c2)c1=O ZINC000736717869 944876063 /nfs/dbraw/zinc/87/60/63/944876063.db2.gz HLPBQUAGPOAQFD-UHFFFAOYSA-N -1 1 396.363 0.791 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000737186036 944978662 /nfs/dbraw/zinc/97/86/62/944978662.db2.gz DHGXRWFLPLNTJJ-LBPRGKRZSA-N -1 1 390.347 0.829 20 0 GCADMM O=C(C[C@H]1CCNC1=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571259291 945383727 /nfs/dbraw/zinc/38/37/27/945383727.db2.gz FEWLMXNVLZBVJS-IJLUTSLNSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(C[C@H]1CCNC1=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571259291 945383735 /nfs/dbraw/zinc/38/37/35/945383735.db2.gz FEWLMXNVLZBVJS-IJLUTSLNSA-N -1 1 385.432 0.022 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)n1 ZINC001571260068 945405962 /nfs/dbraw/zinc/40/59/62/945405962.db2.gz OHJIYWVMXADNMJ-NWDGAFQWSA-N -1 1 385.432 0.037 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)n1 ZINC001571260068 945405965 /nfs/dbraw/zinc/40/59/65/945405965.db2.gz OHJIYWVMXADNMJ-NWDGAFQWSA-N -1 1 385.432 0.037 20 0 GCADMM O=C([C@H]1CCC(=O)N1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571260171 945410055 /nfs/dbraw/zinc/41/00/55/945410055.db2.gz PIGYEACSPUENDH-NWDGAFQWSA-N -1 1 385.432 0.118 20 0 GCADMM O=C([C@H]1CCC(=O)N1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571260171 945410062 /nfs/dbraw/zinc/41/00/62/945410062.db2.gz PIGYEACSPUENDH-NWDGAFQWSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571261140 945423605 /nfs/dbraw/zinc/42/36/05/945423605.db2.gz AYSSJFHQOZDCMU-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571261140 945423614 /nfs/dbraw/zinc/42/36/14/945423614.db2.gz AYSSJFHQOZDCMU-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM CCc1ncc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571261414 945427868 /nfs/dbraw/zinc/42/78/68/945427868.db2.gz DVRKVFDKYCGQOW-JTQLQIEISA-N -1 1 385.457 0.932 20 0 GCADMM CCc1ncc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571261414 945427882 /nfs/dbraw/zinc/42/78/82/945427882.db2.gz DVRKVFDKYCGQOW-JTQLQIEISA-N -1 1 385.457 0.932 20 0 GCADMM CCc1ncsc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571261687 945429329 /nfs/dbraw/zinc/42/93/29/945429329.db2.gz INNTYJPUDJJZHJ-AOOOYVTPSA-N -1 1 385.457 0.718 20 0 GCADMM CCc1nc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cs1 ZINC001571261894 945433005 /nfs/dbraw/zinc/43/30/05/945433005.db2.gz LVJNUTYVLXPIHR-SNVBAGLBSA-N -1 1 385.457 0.353 20 0 GCADMM Cc1nc(CC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)s1 ZINC001571262943 945446179 /nfs/dbraw/zinc/44/61/79/945446179.db2.gz CUHKGXPFCDPDAJ-XYPYZODXSA-N -1 1 385.457 0.454 20 0 GCADMM Cc1nc(CC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001571263117 945449757 /nfs/dbraw/zinc/44/97/57/945449757.db2.gz HWQMJPQINLWMNV-RNCFNFMXSA-N -1 1 385.457 0.923 20 0 GCADMM Cc1nc(CC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001571263117 945449762 /nfs/dbraw/zinc/44/97/62/945449762.db2.gz HWQMJPQINLWMNV-RNCFNFMXSA-N -1 1 385.457 0.923 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ns1 ZINC001571263228 945453535 /nfs/dbraw/zinc/45/35/35/945453535.db2.gz KLFKGPMLERTKLY-WDEREUQCSA-N -1 1 385.457 0.997 20 0 GCADMM Cc1nc(CCC(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cs1 ZINC001571263642 945463638 /nfs/dbraw/zinc/46/36/38/945463638.db2.gz VQDNTFKZOZNWCJ-UHFFFAOYSA-N -1 1 385.457 0.703 20 0 GCADMM Cc1nc(CCC(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cs1 ZINC001571263642 945463642 /nfs/dbraw/zinc/46/36/42/945463642.db2.gz VQDNTFKZOZNWCJ-UHFFFAOYSA-N -1 1 385.457 0.703 20 0 GCADMM O=C(Cc1cscn1)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263848 945470231 /nfs/dbraw/zinc/47/02/31/945470231.db2.gz YIDOGMQFVIYKFZ-LLVKDONJSA-N -1 1 385.457 0.428 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001571265861 945523159 /nfs/dbraw/zinc/52/31/59/945523159.db2.gz QRZAIPXOXZCJCG-JOYOIKCWSA-N -1 1 385.819 0.842 20 0 GCADMM Cc1cc([C@@H]2CCCN2C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)on1 ZINC001571266838 945555248 /nfs/dbraw/zinc/55/52/48/945555248.db2.gz AERSUTZXUFPPLU-NSHDSACASA-N -1 1 386.372 0.179 20 0 GCADMM CC[C@H](C)[C@H](O)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820859838 945571578 /nfs/dbraw/zinc/57/15/78/945571578.db2.gz GRJZSOYPXHXYQP-ZUZCIYMTSA-N -1 1 386.460 0.982 20 0 GCADMM CC[C@H](C)[C@H](O)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820859838 945571581 /nfs/dbraw/zinc/57/15/81/945571581.db2.gz GRJZSOYPXHXYQP-ZUZCIYMTSA-N -1 1 386.460 0.982 20 0 GCADMM O=C(CC(F)(F)F)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267469 945571873 /nfs/dbraw/zinc/57/18/73/945571873.db2.gz VZIZFLICOIJJOR-VIFPVBQESA-N -1 1 386.338 0.060 20 0 GCADMM C[C@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571267591 945573955 /nfs/dbraw/zinc/57/39/55/945573955.db2.gz ZHNUTXFMKIGAKU-TVQRCGJNSA-N -1 1 386.366 0.929 20 0 GCADMM C[C@H](NC(=O)c1n[nH]cc1F)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267735 945576515 /nfs/dbraw/zinc/57/65/15/945576515.db2.gz CYHGHOLXELDSBK-UWVGGRQHSA-N -1 1 386.395 0.554 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571267759 945577464 /nfs/dbraw/zinc/57/74/64/945577464.db2.gz DGRBIQOQGQWBLM-LLVKDONJSA-N -1 1 386.416 0.192 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571267759 945577472 /nfs/dbraw/zinc/57/74/72/945577472.db2.gz DGRBIQOQGQWBLM-LLVKDONJSA-N -1 1 386.416 0.192 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)c3n[nH]cc3F)CC2)n1 ZINC001571267738 945577611 /nfs/dbraw/zinc/57/76/11/945577611.db2.gz CZRGYXYTEGMKKI-UHFFFAOYSA-N -1 1 386.395 0.474 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)c3n[nH]cc3F)[C@H](C)C2)n1 ZINC001571267807 945578563 /nfs/dbraw/zinc/57/85/63/945578563.db2.gz FJGFHBUSUYIIPF-PSASIEDQSA-N -1 1 386.395 0.330 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001571267913 945582254 /nfs/dbraw/zinc/58/22/54/945582254.db2.gz IVHQKYVUMQZASE-NWDGAFQWSA-N -1 1 386.416 0.037 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001571267913 945582260 /nfs/dbraw/zinc/58/22/60/945582260.db2.gz IVHQKYVUMQZASE-NWDGAFQWSA-N -1 1 386.416 0.037 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC001571267925 945583283 /nfs/dbraw/zinc/58/32/83/945583283.db2.gz JIMOODRHICGLQP-NXEZZACHSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC001571267925 945583296 /nfs/dbraw/zinc/58/32/96/945583296.db2.gz JIMOODRHICGLQP-NXEZZACHSA-N -1 1 386.395 0.872 20 0 GCADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cnn(CCF)c1 ZINC001571267985 945584558 /nfs/dbraw/zinc/58/45/58/945584558.db2.gz KIPNRKFUPLOGHQ-GFCCVEGCSA-N -1 1 386.395 0.222 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3n[nH]cc3F)CC2)n1 ZINC001571268432 945595524 /nfs/dbraw/zinc/59/55/24/945595524.db2.gz RTKXGBMXQOPBRZ-JTQLQIEISA-N -1 1 386.395 0.616 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C3=COCCO3)CC[C@@H]2C)n1 ZINC001571268540 945598008 /nfs/dbraw/zinc/59/80/08/945598008.db2.gz GXDFCVZGNNGPBY-RYUDHWBXSA-N -1 1 386.416 0.327 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C3=COCCO3)CC[C@@H]2C)n1 ZINC001571268540 945598014 /nfs/dbraw/zinc/59/80/14/945598014.db2.gz GXDFCVZGNNGPBY-RYUDHWBXSA-N -1 1 386.416 0.327 20 0 GCADMM O=C(CCCc1nn[n-]n1)N1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC001571268485 945598045 /nfs/dbraw/zinc/59/80/45/945598045.db2.gz TZCDSWJTRKZKMZ-UHFFFAOYSA-N -1 1 386.395 0.190 20 0 GCADMM CC1([C@@H]2CCC[N@@H+](Cc3cc(=O)n4[n-]cc(-c5nnn[n-]5)c4n3)C2)OCCO1 ZINC001571268486 945598970 /nfs/dbraw/zinc/59/89/70/945598970.db2.gz UAWDGTTYOQBDGI-LLVKDONJSA-N -1 1 386.416 0.590 20 0 GCADMM CN(C(=O)c1cnn(CCF)c1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571268695 945601818 /nfs/dbraw/zinc/60/18/18/945601818.db2.gz WVFPOUJGHYUZGU-UHFFFAOYSA-N -1 1 386.395 0.538 20 0 GCADMM CN(C(=O)c1cnn(CCF)c1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571268695 945601825 /nfs/dbraw/zinc/60/18/25/945601825.db2.gz WVFPOUJGHYUZGU-UHFFFAOYSA-N -1 1 386.395 0.538 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571268687 945602625 /nfs/dbraw/zinc/60/26/25/945602625.db2.gz WMYRANVUNMTTNQ-SNVBAGLBSA-N -1 1 386.395 0.237 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571268687 945602631 /nfs/dbraw/zinc/60/26/31/945602631.db2.gz WMYRANVUNMTTNQ-SNVBAGLBSA-N -1 1 386.395 0.237 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571268908 945608072 /nfs/dbraw/zinc/60/80/72/945608072.db2.gz ZDGIOJFFSUMPMS-NXEZZACHSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571268908 945608080 /nfs/dbraw/zinc/60/80/80/945608080.db2.gz ZDGIOJFFSUMPMS-NXEZZACHSA-N -1 1 386.395 0.729 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571269459 945620833 /nfs/dbraw/zinc/62/08/33/945620833.db2.gz YVLDIRWRDWVZSY-NEPJUHHUSA-N -1 1 386.416 0.693 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571269459 945620840 /nfs/dbraw/zinc/62/08/40/945620840.db2.gz YVLDIRWRDWVZSY-NEPJUHHUSA-N -1 1 386.416 0.693 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3csnn3)C(C)(C)C2)n1 ZINC001571269616 945621558 /nfs/dbraw/zinc/62/15/58/945621558.db2.gz AIGOVVKAGFDOJO-NSHDSACASA-N -1 1 386.445 0.461 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3csnn3)C(C)(C)C2)n1 ZINC001571269616 945621561 /nfs/dbraw/zinc/62/15/61/945621561.db2.gz AIGOVVKAGFDOJO-NSHDSACASA-N -1 1 386.445 0.461 20 0 GCADMM Cc1nnsc1C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269697 945622970 /nfs/dbraw/zinc/62/29/70/945622970.db2.gz CJLKFCSUUCNCEC-UWVGGRQHSA-N -1 1 386.445 0.827 20 0 GCADMM Cc1nnsc1C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269697 945622976 /nfs/dbraw/zinc/62/29/76/945622976.db2.gz CJLKFCSUUCNCEC-UWVGGRQHSA-N -1 1 386.445 0.827 20 0 GCADMM Cc1cscc1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001571269666 945622984 /nfs/dbraw/zinc/62/29/84/945622984.db2.gz BWTVEBBIOWMQGO-LLVKDONJSA-N -1 1 386.441 0.662 20 0 GCADMM Cc1cscc1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001571269666 945622990 /nfs/dbraw/zinc/62/29/90/945622990.db2.gz BWTVEBBIOWMQGO-LLVKDONJSA-N -1 1 386.441 0.662 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cnns2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571269706 945623896 /nfs/dbraw/zinc/62/38/96/945623896.db2.gz COSLWNFNMJRNMI-SNVBAGLBSA-N -1 1 386.445 0.497 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cnns2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571269706 945623903 /nfs/dbraw/zinc/62/39/03/945623903.db2.gz COSLWNFNMJRNMI-SNVBAGLBSA-N -1 1 386.445 0.497 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](NC(=O)c3csnn3)C2)n1 ZINC001571269868 945624513 /nfs/dbraw/zinc/62/45/13/945624513.db2.gz FTBVWDYPZQVKIJ-VHSXEESVSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](NC(=O)c3csnn3)C2)n1 ZINC001571269868 945624518 /nfs/dbraw/zinc/62/45/18/945624518.db2.gz FTBVWDYPZQVKIJ-VHSXEESVSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1csc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)c1 ZINC001571269713 945625152 /nfs/dbraw/zinc/62/51/52/945625152.db2.gz CQNRTAZPQDDYDT-GHMZBOCLSA-N -1 1 386.441 0.396 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269921 945626844 /nfs/dbraw/zinc/62/68/44/945626844.db2.gz HUDUPWXLXJBCBF-JTQLQIEISA-N -1 1 386.445 0.558 20 0 GCADMM Cc1nnsc1C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269921 945626845 /nfs/dbraw/zinc/62/68/45/945626845.db2.gz HUDUPWXLXJBCBF-JTQLQIEISA-N -1 1 386.445 0.558 20 0 GCADMM CCc1nnsc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571270005 945629955 /nfs/dbraw/zinc/62/99/55/945629955.db2.gz KEAKGSLCGIOKFB-SECBINFHSA-N -1 1 386.445 0.469 20 0 GCADMM CCc1nnsc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571270005 945629961 /nfs/dbraw/zinc/62/99/61/945629961.db2.gz KEAKGSLCGIOKFB-SECBINFHSA-N -1 1 386.445 0.469 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)c3cnsn3)C2)n1 ZINC001571270074 945630793 /nfs/dbraw/zinc/63/07/93/945630793.db2.gz MJFBUUCKTRYXRX-SNVBAGLBSA-N -1 1 386.445 0.781 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)c3cnsn3)C2)n1 ZINC001571270074 945630799 /nfs/dbraw/zinc/63/07/99/945630799.db2.gz MJFBUUCKTRYXRX-SNVBAGLBSA-N -1 1 386.445 0.781 20 0 GCADMM O=C(COc1ccsc1)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571270100 945631325 /nfs/dbraw/zinc/63/13/25/945631325.db2.gz NAVVGLXIJUIJIE-UHFFFAOYSA-N -1 1 386.441 0.836 20 0 GCADMM O=C(COc1ccsc1)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571270100 945631328 /nfs/dbraw/zinc/63/13/28/945631328.db2.gz NAVVGLXIJUIJIE-UHFFFAOYSA-N -1 1 386.441 0.836 20 0 GCADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cnccc3C)C2)c1-c1nn[n-]n1 ZINC001571270280 945633226 /nfs/dbraw/zinc/63/32/26/945633226.db2.gz PCXXEFTZQATSCP-VXGBXAGGSA-N -1 1 386.441 0.315 20 0 GCADMM CCc1nnsc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571270273 945633838 /nfs/dbraw/zinc/63/38/38/945633838.db2.gz PAODSIMZSFAFHZ-KYZUINATSA-N -1 1 386.445 0.691 20 0 GCADMM CCc1nnsc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571270273 945633843 /nfs/dbraw/zinc/63/38/43/945633843.db2.gz PAODSIMZSFAFHZ-KYZUINATSA-N -1 1 386.445 0.691 20 0 GCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCC[C@]1(CO)c1ccccc1 ZINC001571270485 945637237 /nfs/dbraw/zinc/63/72/37/945637237.db2.gz UDWOFMHDDAVDPW-KRWDZBQOSA-N -1 1 386.437 0.934 20 0 GCADMM Cc1nnsc1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571270589 945638300 /nfs/dbraw/zinc/63/83/00/945638300.db2.gz WCHRNJZAWDUXDW-SNVBAGLBSA-N -1 1 386.445 0.606 20 0 GCADMM Cc1nnsc1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571270589 945638304 /nfs/dbraw/zinc/63/83/04/945638304.db2.gz WCHRNJZAWDUXDW-SNVBAGLBSA-N -1 1 386.445 0.606 20 0 GCADMM CCc1nnsc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571270638 945638525 /nfs/dbraw/zinc/63/85/25/945638525.db2.gz XJYMUUNIHAIONC-SECBINFHSA-N -1 1 386.445 0.327 20 0 GCADMM CCc1nnsc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571270638 945638529 /nfs/dbraw/zinc/63/85/29/945638529.db2.gz XJYMUUNIHAIONC-SECBINFHSA-N -1 1 386.445 0.327 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)c1csnn1 ZINC001571270587 945639218 /nfs/dbraw/zinc/63/92/18/945639218.db2.gz WBKIXIBOANQQCZ-NSHDSACASA-N -1 1 386.445 0.543 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)c1csnn1 ZINC001571270587 945639225 /nfs/dbraw/zinc/63/92/25/945639225.db2.gz WBKIXIBOANQQCZ-NSHDSACASA-N -1 1 386.445 0.543 20 0 GCADMM O=C(Cc1ccsc1)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001571270715 945640674 /nfs/dbraw/zinc/64/06/74/945640674.db2.gz ZPTZRGTVXCKDKO-VXGBXAGGSA-N -1 1 386.441 0.017 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnns2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270668 945640842 /nfs/dbraw/zinc/64/08/42/945640842.db2.gz YFQRLSQFWXCHPQ-ZJUUUORDSA-N -1 1 386.445 0.140 20 0 GCADMM COc1ccsc1C(=O)N1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571270679 945640925 /nfs/dbraw/zinc/64/09/25/945640925.db2.gz YPWFNFUUXLQYSV-UHFFFAOYSA-N -1 1 386.441 0.998 20 0 GCADMM COc1ccsc1C(=O)N1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571270679 945640930 /nfs/dbraw/zinc/64/09/30/945640930.db2.gz YPWFNFUUXLQYSV-UHFFFAOYSA-N -1 1 386.441 0.998 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccc(Cl)cc1 ZINC001571271362 945643147 /nfs/dbraw/zinc/64/31/47/945643147.db2.gz AXCPAFMVAQEAJR-CHWSQXEVSA-N -1 1 386.803 0.290 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccc(Cl)cc1 ZINC001571271362 945643152 /nfs/dbraw/zinc/64/31/52/945643152.db2.gz AXCPAFMVAQEAJR-CHWSQXEVSA-N -1 1 386.803 0.290 20 0 GCADMM CCN(C)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821164340 945644263 /nfs/dbraw/zinc/64/42/63/945644263.db2.gz CINLHJFBANDOGT-UHFFFAOYSA-N -1 1 382.450 0.051 20 0 GCADMM CO[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC001571272188 945656124 /nfs/dbraw/zinc/65/61/24/945656124.db2.gz ASRUXSQLLZUBSD-OAHLLOKOSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC001571272188 945656131 /nfs/dbraw/zinc/65/61/31/945656131.db2.gz ASRUXSQLLZUBSD-OAHLLOKOSA-N -1 1 386.460 0.901 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C3(C)CCC3)[C@@H](O)C2)n1 ZINC001571272213 945658741 /nfs/dbraw/zinc/65/87/41/945658741.db2.gz BEJUKEVTRGAMPO-AAEUAGOBSA-N -1 1 386.460 0.465 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C3(C)CCC3)[C@@H](O)C2)n1 ZINC001571272213 945658745 /nfs/dbraw/zinc/65/87/45/945658745.db2.gz BEJUKEVTRGAMPO-AAEUAGOBSA-N -1 1 386.460 0.465 20 0 GCADMM CCc1nc(N[C@]2(CO)CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571272401 945661459 /nfs/dbraw/zinc/66/14/59/945661459.db2.gz CXTYVRKNQCPYPR-OAVHHTNSSA-N -1 1 386.460 0.641 20 0 GCADMM CCc1nc(N[C@]2(CO)CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571272401 945661463 /nfs/dbraw/zinc/66/14/63/945661463.db2.gz CXTYVRKNQCPYPR-OAVHHTNSSA-N -1 1 386.460 0.641 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001571272379 945662144 /nfs/dbraw/zinc/66/21/44/945662144.db2.gz CHKUOOHBLRJUAT-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001571272379 945662151 /nfs/dbraw/zinc/66/21/51/945662151.db2.gz CHKUOOHBLRJUAT-STQMWFEESA-N -1 1 386.460 0.899 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001571272574 945665354 /nfs/dbraw/zinc/66/53/54/945665354.db2.gz FJQFDWDULJZBSL-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571272700 945669311 /nfs/dbraw/zinc/66/93/11/945669311.db2.gz HSYPOFMOVYOITA-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571272700 945669315 /nfs/dbraw/zinc/66/93/15/945669315.db2.gz HSYPOFMOVYOITA-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001571272964 945675204 /nfs/dbraw/zinc/67/52/04/945675204.db2.gz LWFMBYQRRVWYHQ-YNEHKIRRSA-N -1 1 386.460 0.803 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)C[C@@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272922 945675360 /nfs/dbraw/zinc/67/53/60/945675360.db2.gz KYTGFMHXSBCNHG-QWHCGFSZSA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)C[C@@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272922 945675367 /nfs/dbraw/zinc/67/53/67/945675367.db2.gz KYTGFMHXSBCNHG-QWHCGFSZSA-N -1 1 386.460 0.906 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)CC1(O)CCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571273032 945678092 /nfs/dbraw/zinc/67/80/92/945678092.db2.gz NPKCHIGOTMRBMD-CYBMUJFWSA-N -1 1 386.460 0.779 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)CC1(O)CCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571273032 945678096 /nfs/dbraw/zinc/67/80/96/945678096.db2.gz NPKCHIGOTMRBMD-CYBMUJFWSA-N -1 1 386.460 0.779 20 0 GCADMM CN(C[C@H]1CCN(C(=O)C2CCC(O)CC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273085 945679754 /nfs/dbraw/zinc/67/97/54/945679754.db2.gz OSXFZOFMSXBZFT-IYXRBSQSSA-N -1 1 386.460 0.493 20 0 GCADMM CN(C[C@H]1CCN(C(=O)C2CCC(O)CC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273085 945679763 /nfs/dbraw/zinc/67/97/63/945679763.db2.gz OSXFZOFMSXBZFT-IYXRBSQSSA-N -1 1 386.460 0.493 20 0 GCADMM CO[C@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001571273111 945680379 /nfs/dbraw/zinc/68/03/79/945680379.db2.gz PLSKJEBHFJTGTO-ZFWWWQNUSA-N -1 1 386.460 0.687 20 0 GCADMM O=C(CC1CCCC1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273207 945681596 /nfs/dbraw/zinc/68/15/96/945681596.db2.gz SRDXBWQSHIKDCV-GOSISDBHSA-N -1 1 386.460 0.424 20 0 GCADMM CO[C@@H]1CCC[C@@H]1C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571273259 945683918 /nfs/dbraw/zinc/68/39/18/945683918.db2.gz UBDZYKJWYPIXGR-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CO[C@@H]1CCC[C@@H]1C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571273259 945683921 /nfs/dbraw/zinc/68/39/21/945683921.db2.gz UBDZYKJWYPIXGR-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CCc1nc(NC[C@@H]2CN(C(=O)[C@H]3CC3(C)C)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571273335 945685322 /nfs/dbraw/zinc/68/53/22/945685322.db2.gz VQEZUSDERUBRKN-VXGBXAGGSA-N -1 1 386.460 0.905 20 0 GCADMM CCc1nc(NC[C@@H]2CN(C(=O)[C@H]3CC3(C)C)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571273335 945685328 /nfs/dbraw/zinc/68/53/28/945685328.db2.gz VQEZUSDERUBRKN-VXGBXAGGSA-N -1 1 386.460 0.905 20 0 GCADMM CO[C@@H](C)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571273324 945685344 /nfs/dbraw/zinc/68/53/44/945685344.db2.gz VMPXJQGLBBWQKJ-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@@H](C)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571273324 945685347 /nfs/dbraw/zinc/68/53/47/945685347.db2.gz VMPXJQGLBBWQKJ-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@@H]1CCC[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273357 945686845 /nfs/dbraw/zinc/68/68/45/945686845.db2.gz WCEQXSPUHHCRJM-UKRRQHHQSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H]1CCC[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273357 945686849 /nfs/dbraw/zinc/68/68/49/945686849.db2.gz WCEQXSPUHHCRJM-UKRRQHHQSA-N -1 1 386.460 0.899 20 0 GCADMM O=C(CC1CCOCC1)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571273463 945687562 /nfs/dbraw/zinc/68/75/62/945687562.db2.gz XWJIYSMTDRSWHC-KGLIPLIRSA-N -1 1 386.460 0.592 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)CC3CCCC3)[C@@H](O)C2)n1 ZINC001571273511 945690888 /nfs/dbraw/zinc/69/08/88/945690888.db2.gz YVGNIWCCSBOHNJ-HIFRSBDPSA-N -1 1 386.460 0.601 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)CC3CCCC3)[C@@H](O)C2)n1 ZINC001571273511 945690893 /nfs/dbraw/zinc/69/08/93/945690893.db2.gz YVGNIWCCSBOHNJ-HIFRSBDPSA-N -1 1 386.460 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571273515 945691114 /nfs/dbraw/zinc/69/11/14/945691114.db2.gz YVXFXNYQOUXYDR-MGPQQGTHSA-N -1 1 386.460 0.544 20 0 GCADMM COC[C@@](C)(NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1)C(=O)OC ZINC001571275111 945703378 /nfs/dbraw/zinc/70/33/78/945703378.db2.gz PLGMTRNPEWHFTI-CQSZACIVSA-N -1 1 387.393 0.171 20 0 GCADMM CC1(C)CC[C@H](C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571275802 945716632 /nfs/dbraw/zinc/71/66/32/945716632.db2.gz CRCWIZFRIBNYRB-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC[C@H](C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571275802 945716649 /nfs/dbraw/zinc/71/66/49/945716649.db2.gz CRCWIZFRIBNYRB-QWHCGFSZSA-N -1 1 386.460 0.804 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571275806 945716898 /nfs/dbraw/zinc/71/68/98/945716898.db2.gz CSTQXVQAXXKFDD-KZVDOYCCSA-N -1 1 386.460 0.951 20 0 GCADMM CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571275806 945716911 /nfs/dbraw/zinc/71/69/11/945716911.db2.gz CSTQXVQAXXKFDD-KZVDOYCCSA-N -1 1 386.460 0.951 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)[C@@H]1CCCCO1 ZINC001571275881 945718438 /nfs/dbraw/zinc/71/84/38/945718438.db2.gz DXEIBAYDZGOKDG-KBPBESRZSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)[C@@H]1CCCCO1 ZINC001571275881 945718447 /nfs/dbraw/zinc/71/84/47/945718447.db2.gz DXEIBAYDZGOKDG-KBPBESRZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)C2(C)CCOCC2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571275943 945719774 /nfs/dbraw/zinc/71/97/74/945719774.db2.gz GGMGWTFCQUDOBR-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)C2(C)CCOCC2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571275943 945719781 /nfs/dbraw/zinc/71/97/81/945719781.db2.gz GGMGWTFCQUDOBR-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571276144 945725343 /nfs/dbraw/zinc/72/53/43/945725343.db2.gz HZKVJQDDGSSGBW-NFAWXSAZSA-N -1 1 386.460 0.804 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571276144 945725351 /nfs/dbraw/zinc/72/53/51/945725351.db2.gz HZKVJQDDGSSGBW-NFAWXSAZSA-N -1 1 386.460 0.804 20 0 GCADMM COc1ccccc1OC[C@@H](C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571276188 945727332 /nfs/dbraw/zinc/72/73/32/945727332.db2.gz DVTDGHPROXGKKS-JTQLQIEISA-N -1 1 387.400 0.802 20 0 GCADMM COc1ccccc1OC[C@H](C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571276189 945727896 /nfs/dbraw/zinc/72/78/96/945727896.db2.gz DVTDGHPROXGKKS-SNVBAGLBSA-N -1 1 387.400 0.802 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001571276622 945733722 /nfs/dbraw/zinc/73/37/22/945733722.db2.gz JTUTXXKTDLRTPN-KZULUSFZSA-N -1 1 386.460 0.544 20 0 GCADMM CC1(C)CCC(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)CC1 ZINC001571276626 945733978 /nfs/dbraw/zinc/73/39/78/945733978.db2.gz JUDBTBRLHOTUQF-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CCC(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)CC1 ZINC001571276626 945733983 /nfs/dbraw/zinc/73/39/83/945733983.db2.gz JUDBTBRLHOTUQF-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM Cc1nnc(CN(C)C(=O)C2CCN(c3oc(C)nc3-c3nn[n-]n3)CC2)o1 ZINC001571277435 945743441 /nfs/dbraw/zinc/74/34/41/945743441.db2.gz QQDAMYZMNJXULR-UHFFFAOYSA-N -1 1 387.404 0.730 20 0 GCADMM CCSc1ccccc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571278317 945750477 /nfs/dbraw/zinc/75/04/77/945750477.db2.gz XSSIQPVNCNCTLW-UHFFFAOYSA-N -1 1 387.425 0.671 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)[C@H]1CCCOC1 ZINC001571278533 945755249 /nfs/dbraw/zinc/75/52/49/945755249.db2.gz PBLOUMLSHTVYJZ-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)[C@H]1CCCOC1 ZINC001571278533 945755258 /nfs/dbraw/zinc/75/52/58/945755258.db2.gz PBLOUMLSHTVYJZ-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM CC[C@@H]1C[C@H](CC(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278614 945755475 /nfs/dbraw/zinc/75/54/75/945755475.db2.gz PLPHPQDVRYEZLQ-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@@H]1C[C@H](CC(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278614 945755481 /nfs/dbraw/zinc/75/54/81/945755481.db2.gz PLPHPQDVRYEZLQ-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@H]1C[C@@H](CC(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278611 945755878 /nfs/dbraw/zinc/75/58/78/945755878.db2.gz PLPHPQDVRYEZLQ-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@H]1C[C@@H](CC(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278611 945755888 /nfs/dbraw/zinc/75/58/88/945755888.db2.gz PLPHPQDVRYEZLQ-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571278632 945756102 /nfs/dbraw/zinc/75/61/02/945756102.db2.gz PVAIYCYIUOVSHR-GXTWGEPZSA-N -1 1 386.460 0.402 20 0 GCADMM NS(=O)(=O)c1ccc(CCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001571278704 945758048 /nfs/dbraw/zinc/75/80/48/945758048.db2.gz AFZUWWGIAFARCT-UHFFFAOYSA-N -1 1 387.425 0.158 20 0 GCADMM NS(=O)(=O)c1ccc(CCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001571278704 945758054 /nfs/dbraw/zinc/75/80/54/945758054.db2.gz AFZUWWGIAFARCT-UHFFFAOYSA-N -1 1 387.425 0.158 20 0 GCADMM Cc1nsc(N2CCCN(C(=O)c3cn[nH]c(=O)c3)CC2)c1-c1nn[n-]n1 ZINC001571278746 945760309 /nfs/dbraw/zinc/76/03/09/945760309.db2.gz BHZRKDDLSFQOEG-UHFFFAOYSA-N -1 1 387.429 0.480 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)c1ccns1 ZINC001571278870 945763143 /nfs/dbraw/zinc/76/31/43/945763143.db2.gz DWBRQFVIGMAKEK-SNVBAGLBSA-N -1 1 387.429 0.139 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)c1ccns1 ZINC001571278870 945763146 /nfs/dbraw/zinc/76/31/46/945763146.db2.gz DWBRQFVIGMAKEK-SNVBAGLBSA-N -1 1 387.429 0.139 20 0 GCADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1csc(=O)[nH]1 ZINC001571278862 945763429 /nfs/dbraw/zinc/76/34/29/945763429.db2.gz DTNYBRLEUGUUOB-DTWKUNHWSA-N -1 1 387.429 0.829 20 0 GCADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1csc(=O)[nH]1 ZINC001571278863 945763661 /nfs/dbraw/zinc/76/36/61/945763661.db2.gz DTNYBRLEUGUUOB-IUCAKERBSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC001571279095 945770070 /nfs/dbraw/zinc/77/00/70/945770070.db2.gz IRUGKPQVUNVUBO-RKDXNWHRSA-N -1 1 387.429 0.321 20 0 GCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)C1(C)CCOCC1 ZINC001571279366 945775568 /nfs/dbraw/zinc/77/55/68/945775568.db2.gz VTBRBPXWTLAEHP-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)C1(C)CCOCC1 ZINC001571279366 945775569 /nfs/dbraw/zinc/77/55/69/945775569.db2.gz VTBRBPXWTLAEHP-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM COCc1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cs1 ZINC001571279526 945779193 /nfs/dbraw/zinc/77/91/93/945779193.db2.gz RCBRCUSDJZCWCL-VIFPVBQESA-N -1 1 387.429 0.268 20 0 GCADMM COCc1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cs1 ZINC001571279526 945779198 /nfs/dbraw/zinc/77/91/98/945779198.db2.gz RCBRCUSDJZCWCL-VIFPVBQESA-N -1 1 387.429 0.268 20 0 GCADMM C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571279500 945779373 /nfs/dbraw/zinc/77/93/73/945779373.db2.gz QMJWPJBKMZIRPH-BDAKNGLRSA-N -1 1 387.429 0.203 20 0 GCADMM Cc1ncc(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571279513 945780779 /nfs/dbraw/zinc/78/07/79/945780779.db2.gz QWQNEGFEJFYXIQ-SNVBAGLBSA-N -1 1 387.429 0.375 20 0 GCADMM Cc1ncc(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571279513 945780789 /nfs/dbraw/zinc/78/07/89/945780789.db2.gz QWQNEGFEJFYXIQ-SNVBAGLBSA-N -1 1 387.429 0.375 20 0 GCADMM O=C(c1ccns1)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571279821 945788008 /nfs/dbraw/zinc/78/80/08/945788008.db2.gz XDDKQJGCOJQRAJ-SNVBAGLBSA-N -1 1 387.429 0.456 20 0 GCADMM O=C(c1ccns1)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571279821 945788015 /nfs/dbraw/zinc/78/80/15/945788015.db2.gz XDDKQJGCOJQRAJ-SNVBAGLBSA-N -1 1 387.429 0.456 20 0 GCADMM O=C(c1ccns1)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571279820 945788544 /nfs/dbraw/zinc/78/85/44/945788544.db2.gz XDDKQJGCOJQRAJ-JTQLQIEISA-N -1 1 387.429 0.456 20 0 GCADMM O=C(c1ccns1)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571279820 945788549 /nfs/dbraw/zinc/78/85/49/945788549.db2.gz XDDKQJGCOJQRAJ-JTQLQIEISA-N -1 1 387.429 0.456 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)ns1 ZINC001571279906 945791206 /nfs/dbraw/zinc/79/12/06/945791206.db2.gz ZBWYXSLOMGJCHN-SNVBAGLBSA-N -1 1 387.429 0.057 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)ns1 ZINC001571279906 945791212 /nfs/dbraw/zinc/79/12/12/945791212.db2.gz ZBWYXSLOMGJCHN-SNVBAGLBSA-N -1 1 387.429 0.057 20 0 GCADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)c1-c1nn[n-]n1 ZINC001571279920 945791582 /nfs/dbraw/zinc/79/15/82/945791582.db2.gz ZMANNDFEPKQECI-SECBINFHSA-N -1 1 387.429 0.844 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C2CCCCC2)CCO1 ZINC001571280023 945795131 /nfs/dbraw/zinc/79/51/31/945795131.db2.gz ZQVFRLOOANJSGD-OCCSQVGLSA-N -1 1 386.460 0.687 20 0 GCADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1-c1nn[n-]n1 ZINC001571281767 945814595 /nfs/dbraw/zinc/81/45/95/945814595.db2.gz NPAAPNILZGBUHT-UZPTXHBLSA-N -1 1 387.469 0.704 20 0 GCADMM Cn1cccc1C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571281941 945819820 /nfs/dbraw/zinc/81/98/20/945819820.db2.gz PWHAKORQVKHDBE-GFCCVEGCSA-N -1 1 387.469 0.898 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC001571282333 945840134 /nfs/dbraw/zinc/84/01/34/945840134.db2.gz HKLCONQGRZVQPH-UHFFFAOYSA-N -1 1 387.444 0.996 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573452057 945842204 /nfs/dbraw/zinc/84/22/04/945842204.db2.gz AEWIGQSRWOYNCD-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573452057 945842217 /nfs/dbraw/zinc/84/22/17/945842217.db2.gz AEWIGQSRWOYNCD-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573452187 945845631 /nfs/dbraw/zinc/84/56/31/945845631.db2.gz BSJOACBFAVRFEX-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573452187 945845645 /nfs/dbraw/zinc/84/56/45/945845645.db2.gz BSJOACBFAVRFEX-DIFFPNOSSA-N -1 1 389.464 0.148 20 0 GCADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001571282542 945849649 /nfs/dbraw/zinc/84/96/49/945849649.db2.gz JTXXERUJIKEDMA-YNEHKIRRSA-N -1 1 387.444 0.852 20 0 GCADMM COc1cc(OC)c(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(OC)c1 ZINC000821723755 945850212 /nfs/dbraw/zinc/85/02/12/945850212.db2.gz JAXULGSYQDKRGY-UHFFFAOYSA-N -1 1 388.388 0.948 20 0 GCADMM COc1cc(OC)c(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(OC)c1 ZINC000821723755 945850224 /nfs/dbraw/zinc/85/02/24/945850224.db2.gz JAXULGSYQDKRGY-UHFFFAOYSA-N -1 1 388.388 0.948 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573453186 945855335 /nfs/dbraw/zinc/85/53/35/945855335.db2.gz JDWZNLSWGQYIKP-ZUZCIYMTSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573453186 945855349 /nfs/dbraw/zinc/85/53/49/945855349.db2.gz JDWZNLSWGQYIKP-ZUZCIYMTSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453151 945855716 /nfs/dbraw/zinc/85/57/16/945855716.db2.gz JANWYKNBWDONGJ-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453151 945855733 /nfs/dbraw/zinc/85/57/33/945855733.db2.gz JANWYKNBWDONGJ-MGPLVRAMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)C ZINC001573452901 945857767 /nfs/dbraw/zinc/85/77/67/945857767.db2.gz IUWSSWAVBHMGHM-INIZCTEOSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)C ZINC001573452901 945857785 /nfs/dbraw/zinc/85/77/85/945857785.db2.gz IUWSSWAVBHMGHM-INIZCTEOSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573453522 945862295 /nfs/dbraw/zinc/86/22/95/945862295.db2.gz LLTSTFQLVJCXBB-GTNSWQLSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573453522 945862306 /nfs/dbraw/zinc/86/23/06/945862306.db2.gz LLTSTFQLVJCXBB-GTNSWQLSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573453565 945863873 /nfs/dbraw/zinc/86/38/73/945863873.db2.gz MFTUGVRHDMPIEH-APPDUMDISA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573453565 945863880 /nfs/dbraw/zinc/86/38/80/945863880.db2.gz MFTUGVRHDMPIEH-APPDUMDISA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453753 945864554 /nfs/dbraw/zinc/86/45/54/945864554.db2.gz OTKAUWJRGRWYDQ-QLJPJBMISA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453753 945864568 /nfs/dbraw/zinc/86/45/68/945864568.db2.gz OTKAUWJRGRWYDQ-QLJPJBMISA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453773 945865313 /nfs/dbraw/zinc/86/53/13/945865313.db2.gz PYGUSRVTOVJFJF-DIFFPNOSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453773 945865331 /nfs/dbraw/zinc/86/53/31/945865331.db2.gz PYGUSRVTOVJFJF-DIFFPNOSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453809 945865890 /nfs/dbraw/zinc/86/58/90/945865890.db2.gz QRMWBBAPYSIDTH-DIFFPNOSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453809 945865903 /nfs/dbraw/zinc/86/59/03/945865903.db2.gz QRMWBBAPYSIDTH-DIFFPNOSSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573453781 945866798 /nfs/dbraw/zinc/86/67/98/945866798.db2.gz QBWJFGXKRQBABY-PIGZYNQJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573453781 945866812 /nfs/dbraw/zinc/86/68/12/945866812.db2.gz QBWJFGXKRQBABY-PIGZYNQJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573453946 945869729 /nfs/dbraw/zinc/86/97/29/945869729.db2.gz RHDSCESFQDBTTD-MRXNPFEDSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573453946 945869739 /nfs/dbraw/zinc/86/97/39/945869739.db2.gz RHDSCESFQDBTTD-MRXNPFEDSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573453832 945870278 /nfs/dbraw/zinc/87/02/78/945870278.db2.gz RCUUZNWSCLTLGW-SJKOYZFVSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573453832 945870286 /nfs/dbraw/zinc/87/02/86/945870286.db2.gz RCUUZNWSCLTLGW-SJKOYZFVSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573454535 945874201 /nfs/dbraw/zinc/87/42/01/945874201.db2.gz ZAEJMOKOMSHNSI-MRXNPFEDSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573454535 945874212 /nfs/dbraw/zinc/87/42/12/945874212.db2.gz ZAEJMOKOMSHNSI-MRXNPFEDSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573454283 945875924 /nfs/dbraw/zinc/87/59/24/945875924.db2.gz VTXTUTGAJIAJMS-ZUZCIYMTSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573454283 945875938 /nfs/dbraw/zinc/87/59/38/945875938.db2.gz VTXTUTGAJIAJMS-ZUZCIYMTSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573457411 945905267 /nfs/dbraw/zinc/90/52/67/945905267.db2.gz WGEYMEZAXHWSSN-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573457411 945905273 /nfs/dbraw/zinc/90/52/73/945905273.db2.gz WGEYMEZAXHWSSN-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC001571284861 945905397 /nfs/dbraw/zinc/90/53/97/945905397.db2.gz VGBNNPLXTDGRDG-LBPRGKRZSA-N -1 1 387.787 0.586 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)C(C)C ZINC001573457629 945907178 /nfs/dbraw/zinc/90/71/78/945907178.db2.gz YCLKKHXKFXHAPC-MRXNPFEDSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)C(C)C ZINC001573457629 945907190 /nfs/dbraw/zinc/90/71/90/945907190.db2.gz YCLKKHXKFXHAPC-MRXNPFEDSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N(C)C1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573457580 945907208 /nfs/dbraw/zinc/90/72/08/945907208.db2.gz XOTSWFLZDMOGHB-UHFFFAOYSA-N -1 1 392.489 0.948 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573457708 945907591 /nfs/dbraw/zinc/90/75/91/945907591.db2.gz YTPSAYFFKIXIJE-PIGZYNQJSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573457708 945907601 /nfs/dbraw/zinc/90/76/01/945907601.db2.gz YTPSAYFFKIXIJE-PIGZYNQJSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573457707 945908257 /nfs/dbraw/zinc/90/82/57/945908257.db2.gz YTPSAYFFKIXIJE-GTNSWQLSSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573457707 945908265 /nfs/dbraw/zinc/90/82/65/945908265.db2.gz YTPSAYFFKIXIJE-GTNSWQLSSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573457564 945908451 /nfs/dbraw/zinc/90/84/51/945908451.db2.gz XKEHVNTZJQYDBG-LBPRGKRZSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573457564 945908458 /nfs/dbraw/zinc/90/84/58/945908458.db2.gz XKEHVNTZJQYDBG-LBPRGKRZSA-N -1 1 387.448 0.140 20 0 GCADMM CCn1cc(Cl)cc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571284882 945909192 /nfs/dbraw/zinc/90/91/92/945909192.db2.gz VQBYMYAVZRQVAP-NSHDSACASA-N -1 1 387.835 0.880 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 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CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573462120 945932119 /nfs/dbraw/zinc/93/21/19/945932119.db2.gz AFCZQSFFLLAOBQ-NSHDSACASA-N -1 1 392.489 0.631 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC1CC(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573462272 945938016 /nfs/dbraw/zinc/93/80/16/945938016.db2.gz FKCBHCPRGDTIGB-UHFFFAOYSA-N -1 1 392.489 0.853 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573462289 945938141 /nfs/dbraw/zinc/93/81/41/945938141.db2.gz FPTSOJRMBUGSFX-LBPRGKRZSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573462552 945942232 /nfs/dbraw/zinc/94/22/32/945942232.db2.gz LIKKQKYDZAFYLQ-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573462552 945942244 /nfs/dbraw/zinc/94/22/44/945942244.db2.gz LIKKQKYDZAFYLQ-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM O=C(N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)[C@]1(F)CCOC1 ZINC001571286246 945943116 /nfs/dbraw/zinc/94/31/16/945943116.db2.gz BWVKMICGNFOZTJ-SJORKVTESA-N -1 1 388.407 0.214 20 0 GCADMM O=C(N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)[C@]1(F)CCOC1 ZINC001571286246 945943122 /nfs/dbraw/zinc/94/31/22/945943122.db2.gz BWVKMICGNFOZTJ-SJORKVTESA-N -1 1 388.407 0.214 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)[C@]1(F)CCOC1 ZINC001571286345 945945231 /nfs/dbraw/zinc/94/52/31/945945231.db2.gz FHMKPQKUXHCVIU-GYSYFZMFSA-N -1 1 388.407 0.401 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)[C@]1(F)CCOC1 ZINC001571286345 945945245 /nfs/dbraw/zinc/94/52/45/945945245.db2.gz FHMKPQKUXHCVIU-GYSYFZMFSA-N -1 1 388.407 0.401 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573463122 945948715 /nfs/dbraw/zinc/94/87/15/945948715.db2.gz QWAWRFAUHPSWOV-CMPLNLGQSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573463122 945948723 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CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573463443 945956311 /nfs/dbraw/zinc/95/63/11/945956311.db2.gz WKPLIWDMGBOMJP-NWDGAFQWSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573463443 945956316 /nfs/dbraw/zinc/95/63/16/945956316.db2.gz WKPLIWDMGBOMJP-NWDGAFQWSA-N -1 1 387.448 0.411 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)CC2OCCCO2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571286899 945962595 /nfs/dbraw/zinc/96/25/95/945962595.db2.gz UUYIMPHEVOIFPS-VXGBXAGGSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)CC2OCCCO2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571286899 945962602 /nfs/dbraw/zinc/96/26/02/945962602.db2.gz UUYIMPHEVOIFPS-VXGBXAGGSA-N -1 1 388.432 0.283 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573464190 945964356 /nfs/dbraw/zinc/96/43/56/945964356.db2.gz HKTUUJGOYDXEOF-PHIMTYICSA-N -1 1 392.489 0.853 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573464561 945965659 /nfs/dbraw/zinc/96/56/59/945965659.db2.gz MLQVVFURPDEETA-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573464561 945965663 /nfs/dbraw/zinc/96/56/63/945965663.db2.gz MLQVVFURPDEETA-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C1(c2ccccc2)CC1 ZINC001571287224 945970480 /nfs/dbraw/zinc/97/04/80/945970480.db2.gz BBYHAZAEURYUNB-FOLVSLTJSA-N -1 1 388.435 0.939 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573467252 945974846 /nfs/dbraw/zinc/97/48/46/945974846.db2.gz ADPFMIUTPDHUFS-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573467252 945974852 /nfs/dbraw/zinc/97/48/52/945974852.db2.gz ADPFMIUTPDHUFS-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001571288464 945988206 /nfs/dbraw/zinc/98/82/06/945988206.db2.gz PCDVLVXCBCUTLJ-AQNCSGRASA-N -1 1 388.435 0.938 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001571288464 945988210 /nfs/dbraw/zinc/98/82/10/945988210.db2.gz PCDVLVXCBCUTLJ-AQNCSGRASA-N -1 1 388.435 0.938 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573469240 946002709 /nfs/dbraw/zinc/00/27/09/946002709.db2.gz TZYPXXAZUTWXGD-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573469240 946002722 /nfs/dbraw/zinc/00/27/22/946002722.db2.gz TZYPXXAZUTWXGD-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM Cc1csc(=O)n1CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571289471 946006472 /nfs/dbraw/zinc/00/64/72/946006472.db2.gz FOYSGQFUOCLQCP-GFCCVEGCSA-N -1 1 388.457 0.231 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573469932 946012931 /nfs/dbraw/zinc/01/29/31/946012931.db2.gz 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CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573470256 946019196 /nfs/dbraw/zinc/01/91/96/946019196.db2.gz BONQCJHNVRVOBP-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CCc1nc(NCCc2ccc(S(=O)(=O)NC)cc2)cc(-c2nnn[n-]2)n1 ZINC001571289958 946022669 /nfs/dbraw/zinc/02/26/69/946022669.db2.gz QWBGNWRDLIUGIS-UHFFFAOYSA-N -1 1 388.457 0.782 20 0 GCADMM CCc1nc(NCCc2ccc(S(=O)(=O)NC)cc2)cc(-c2nn[n-]n2)n1 ZINC001571289958 946022681 /nfs/dbraw/zinc/02/26/81/946022681.db2.gz QWBGNWRDLIUGIS-UHFFFAOYSA-N -1 1 388.457 0.782 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)n1 ZINC001571289904 946023283 /nfs/dbraw/zinc/02/32/83/946023283.db2.gz PIBZOMOKIOKXBD-MLGOLLRUSA-N -1 1 388.476 0.521 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)n1 ZINC001571289904 946023300 /nfs/dbraw/zinc/02/33/00/946023300.db2.gz PIBZOMOKIOKXBD-MLGOLLRUSA-N -1 1 388.476 0.521 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573470458 946023989 /nfs/dbraw/zinc/02/39/89/946023989.db2.gz FJUYQSACXQSHET-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573470458 946023996 /nfs/dbraw/zinc/02/39/96/946023996.db2.gz FJUYQSACXQSHET-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573470405 946024630 /nfs/dbraw/zinc/02/46/30/946024630.db2.gz DSURDUCUFCIZFG-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573470505 946027412 /nfs/dbraw/zinc/02/74/12/946027412.db2.gz GBZXZEHQWBJOFT-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573470505 946027422 /nfs/dbraw/zinc/02/74/22/946027422.db2.gz GBZXZEHQWBJOFT-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM Cn1nccc1C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290149 946032701 /nfs/dbraw/zinc/03/27/01/946032701.db2.gz WEPQNXNQCCMVEK-LLVKDONJSA-N -1 1 388.457 0.293 20 0 GCADMM CCC(C)(C)C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290263 946036787 /nfs/dbraw/zinc/03/67/87/946036787.db2.gz YVYPJHIIMNLLPJ-CYBMUJFWSA-N -1 1 388.476 0.883 20 0 GCADMM Cn1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1Cl ZINC001571290310 946039214 /nfs/dbraw/zinc/03/92/14/946039214.db2.gz ADGVVEQXPQXXIC-VIFPVBQESA-N -1 1 388.823 0.442 20 0 GCADMM Cn1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1Cl ZINC001571290310 946039229 /nfs/dbraw/zinc/03/92/29/946039229.db2.gz ADGVVEQXPQXXIC-VIFPVBQESA-N -1 1 388.823 0.442 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1c(Cl)cnn1C ZINC001571290449 946040580 /nfs/dbraw/zinc/04/05/80/946040580.db2.gz FGDRVKKDTIXQPQ-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1c(Cl)cnn1C ZINC001571290449 946040588 /nfs/dbraw/zinc/04/05/88/946040588.db2.gz FGDRVKKDTIXQPQ-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@H](N=c3cc[nH]c(-c4nn[n-]n4)n3)C2)c1Cl ZINC001571290398 946040683 /nfs/dbraw/zinc/04/06/83/946040683.db2.gz CVOHGTQGPKULBY-VIFPVBQESA-N -1 1 388.823 0.182 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573471232 946046427 /nfs/dbraw/zinc/04/64/27/946046427.db2.gz NHXWFRRAXPZSIL-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573471232 946046441 /nfs/dbraw/zinc/04/64/41/946046441.db2.gz NHXWFRRAXPZSIL-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573471336 946047838 /nfs/dbraw/zinc/04/78/38/946047838.db2.gz NUQWZSLPKOVIGA-CMPLNLGQSA-N -1 1 392.489 0.583 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1Cl ZINC001571290609 946047886 /nfs/dbraw/zinc/04/78/86/946047886.db2.gz JYYKAQSTXPNMDN-SECBINFHSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1Cl ZINC001571290609 946047898 /nfs/dbraw/zinc/04/78/98/946047898.db2.gz JYYKAQSTXPNMDN-SECBINFHSA-N -1 1 388.823 0.442 20 0 GCADMM Cc1c(Cl)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571290618 946051685 /nfs/dbraw/zinc/05/16/85/946051685.db2.gz KIZOBYSYKOPYRS-SECBINFHSA-N -1 1 388.823 0.679 20 0 GCADMM Cc1c(Cl)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571290618 946051699 /nfs/dbraw/zinc/05/16/99/946051699.db2.gz KIZOBYSYKOPYRS-SECBINFHSA-N -1 1 388.823 0.679 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ocnc1C(F)F ZINC001571290858 946058615 /nfs/dbraw/zinc/05/86/15/946058615.db2.gz QZBXMLYUAAUJGI-MTBHXBHISA-N -1 1 389.326 0.447 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ocnc1C(F)F ZINC001571290858 946058627 /nfs/dbraw/zinc/05/86/27/946058627.db2.gz QZBXMLYUAAUJGI-MTBHXBHISA-N -1 1 389.326 0.447 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573472121 946059098 /nfs/dbraw/zinc/05/90/98/946059098.db2.gz SNOPXEUIEPVLKY-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573472121 946059109 /nfs/dbraw/zinc/05/91/09/946059109.db2.gz SNOPXEUIEPVLKY-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM O=C(CCc1nn[n-]n1)N1CCN(c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001571290861 946060389 /nfs/dbraw/zinc/06/03/89/946060389.db2.gz RCKJXVHJPAYNAZ-UHFFFAOYSA-N -1 1 388.823 0.315 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2c(Cl)cnn2C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571290994 946062375 /nfs/dbraw/zinc/06/23/75/946062375.db2.gz XDTBZJPPVYWCMN-SCZZXKLOSA-N -1 1 388.823 0.441 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2c(Cl)cnn2C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571290994 946062389 /nfs/dbraw/zinc/06/23/89/946062389.db2.gz XDTBZJPPVYWCMN-SCZZXKLOSA-N -1 1 388.823 0.441 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571290943 946064227 /nfs/dbraw/zinc/06/42/27/946064227.db2.gz VDISVDOIJUNINI-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571290943 946064245 /nfs/dbraw/zinc/06/42/45/946064245.db2.gz VDISVDOIJUNINI-SECBINFHSA-N -1 1 388.823 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573472982 946073510 /nfs/dbraw/zinc/07/35/10/946073510.db2.gz YQGCKAUBMMCYER-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573472982 946073525 /nfs/dbraw/zinc/07/35/25/946073525.db2.gz YQGCKAUBMMCYER-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573473235 946077152 /nfs/dbraw/zinc/07/71/52/946077152.db2.gz AXLHITKVRMVDLB-POZPLHJXSA-N -1 1 378.462 0.415 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573473492 946080652 /nfs/dbraw/zinc/08/06/52/946080652.db2.gz DMRFFLXAQXVOKO-ZYHUDNBSSA-N -1 1 392.489 0.949 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(Cc3c(F)cccc3F)C2)n(C)c1=O ZINC001571291987 946086495 /nfs/dbraw/zinc/08/64/95/946086495.db2.gz RYDOOFUOZWYXNW-UHFFFAOYSA-N -1 1 389.366 0.221 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573474366 946091351 /nfs/dbraw/zinc/09/13/51/946091351.db2.gz KXYGTPRINBZEFM-JDNHERCYSA-N -1 1 392.489 0.853 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F)c1cc[nH]c1 ZINC001571292242 946092122 /nfs/dbraw/zinc/09/21/22/946092122.db2.gz WIKVUFDMCIFRPX-LLVKDONJSA-N -1 1 389.370 0.876 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F)c1cc[nH]c1 ZINC001571292242 946092132 /nfs/dbraw/zinc/09/21/32/946092132.db2.gz WIKVUFDMCIFRPX-LLVKDONJSA-N -1 1 389.370 0.876 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F)c1cc[nH]c1 ZINC001571292243 946093103 /nfs/dbraw/zinc/09/31/03/946093103.db2.gz WIKVUFDMCIFRPX-NSHDSACASA-N -1 1 389.370 0.876 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F)c1cc[nH]c1 ZINC001571292243 946093112 /nfs/dbraw/zinc/09/31/12/946093112.db2.gz WIKVUFDMCIFRPX-NSHDSACASA-N -1 1 389.370 0.876 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573474798 946095188 /nfs/dbraw/zinc/09/51/88/946095188.db2.gz NSEQDVPDBVEWPG-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573475194 946097236 /nfs/dbraw/zinc/09/72/36/946097236.db2.gz QENFWZNEBDODAH-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573475194 946097247 /nfs/dbraw/zinc/09/72/47/946097247.db2.gz QENFWZNEBDODAH-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573475775 946106683 /nfs/dbraw/zinc/10/66/83/946106683.db2.gz AOVAYMBXFSZOFW-BXKDBHETSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573475775 946106688 /nfs/dbraw/zinc/10/66/88/946106688.db2.gz AOVAYMBXFSZOFW-BXKDBHETSA-N -1 1 375.437 0.124 20 0 GCADMM Cc1nsc(N2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000822530891 946116473 /nfs/dbraw/zinc/11/64/73/946116473.db2.gz RSMHLZZKQZYTDQ-UHFFFAOYSA-N -1 1 389.449 0.504 20 0 GCADMM Cc1nsc(N2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000822530891 946116486 /nfs/dbraw/zinc/11/64/86/946116486.db2.gz RSMHLZZKQZYTDQ-UHFFFAOYSA-N -1 1 389.449 0.504 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ccc(C(N)=O)nc1 ZINC000822541018 946117411 /nfs/dbraw/zinc/11/74/11/946117411.db2.gz KUBQTEVZXZITPR-UHFFFAOYSA-N -1 1 392.379 0.983 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccc(C(N)=O)nc1 ZINC000822541018 946117420 /nfs/dbraw/zinc/11/74/20/946117420.db2.gz KUBQTEVZXZITPR-UHFFFAOYSA-N -1 1 392.379 0.983 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(C)C ZINC001573476417 946117729 /nfs/dbraw/zinc/11/77/29/946117729.db2.gz GQDUUSAUPRKXPL-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(C)C ZINC001573476417 946117741 /nfs/dbraw/zinc/11/77/41/946117741.db2.gz GQDUUSAUPRKXPL-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC[C@H](F)C(=O)N1CCN([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571293830 946118317 /nfs/dbraw/zinc/11/83/17/946118317.db2.gz SUISTENYRGIHTP-OLZOCXBDSA-N -1 1 389.439 0.128 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(C)C ZINC001573476418 946119290 /nfs/dbraw/zinc/11/92/90/946119290.db2.gz GQDUUSAUPRKXPL-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(C)C ZINC001573476418 946119300 /nfs/dbraw/zinc/11/93/00/946119300.db2.gz GQDUUSAUPRKXPL-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001571293943 946120005 /nfs/dbraw/zinc/12/00/05/946120005.db2.gz WRORXUZLUXGYCE-VIFPVBQESA-N -1 1 389.434 0.027 20 0 GCADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)c1-c1nn[n-]n1 ZINC001571293941 946120343 /nfs/dbraw/zinc/12/03/43/946120343.db2.gz WQRMAHVBPNKHFI-HZGVNTEJSA-N -1 1 389.445 0.623 20 0 GCADMM C[C@@]1(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)CCC(=O)NC1 ZINC001571294163 946128512 /nfs/dbraw/zinc/12/85/12/946128512.db2.gz BTUZHLIFEMDRFZ-QGZVFWFLSA-N -1 1 389.485 0.489 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294267 946129122 /nfs/dbraw/zinc/12/91/22/946129122.db2.gz CTYCYPCTCDODSJ-SNVBAGLBSA-N -1 1 390.358 0.965 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294267 946129129 /nfs/dbraw/zinc/12/91/29/946129129.db2.gz CTYCYPCTCDODSJ-SNVBAGLBSA-N -1 1 390.358 0.965 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573477383 946133578 /nfs/dbraw/zinc/13/35/78/946133578.db2.gz POMCBAFJMMBDBQ-GXSJLCMTSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573477383 946133582 /nfs/dbraw/zinc/13/35/82/946133582.db2.gz POMCBAFJMMBDBQ-GXSJLCMTSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ccn(C(F)F)n1 ZINC001571294384 946133598 /nfs/dbraw/zinc/13/35/98/946133598.db2.gz DAXUYMKMPPFEEP-IUCAKERBSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ccn(C(F)F)n1 ZINC001571294384 946133601 /nfs/dbraw/zinc/13/36/01/946133601.db2.gz DAXUYMKMPPFEEP-IUCAKERBSA-N -1 1 390.358 0.963 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)C4(C(F)F)CC4)C[C@@H]3C2)n1 ZINC001571294432 946134359 /nfs/dbraw/zinc/13/43/59/946134359.db2.gz GBHLDDBQKMIQSS-PHIMTYICSA-N -1 1 390.398 0.905 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)C4(C(F)F)CC4)C[C@@H]3C2)n1 ZINC001571294432 946134363 /nfs/dbraw/zinc/13/43/63/946134363.db2.gz GBHLDDBQKMIQSS-PHIMTYICSA-N -1 1 390.398 0.905 20 0 GCADMM Cn1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1C(F)F ZINC001571294427 946134386 /nfs/dbraw/zinc/13/43/86/946134386.db2.gz FQSZEGGJIHWDMF-MRVPVSSYSA-N -1 1 390.358 0.654 20 0 GCADMM Cn1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1C(F)F ZINC001571294427 946134389 /nfs/dbraw/zinc/13/43/89/946134389.db2.gz FQSZEGGJIHWDMF-MRVPVSSYSA-N -1 1 390.358 0.654 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2c2nc3ccccc3[nH]2)n(C)c1=O ZINC000822600661 946136339 /nfs/dbraw/zinc/13/63/39/946136339.db2.gz OYFFBNQKDTZTBL-LBPRGKRZSA-N -1 1 393.411 0.482 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000822608703 946137553 /nfs/dbraw/zinc/13/75/53/946137553.db2.gz HNBRXZRKWISDCQ-JTQLQIEISA-N -1 1 391.436 0.979 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000822608703 946137557 /nfs/dbraw/zinc/13/75/57/946137557.db2.gz HNBRXZRKWISDCQ-JTQLQIEISA-N -1 1 391.436 0.979 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC4(F)F)[C@@H]3C2)n1 ZINC001571294783 946145698 /nfs/dbraw/zinc/14/56/98/946145698.db2.gz MDHWNSRPQJGRSW-MMWGEVLESA-N -1 1 390.398 0.673 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC4(F)F)[C@@H]3C2)n1 ZINC001571294783 946145703 /nfs/dbraw/zinc/14/57/03/946145703.db2.gz MDHWNSRPQJGRSW-MMWGEVLESA-N -1 1 390.398 0.673 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cnn(C(F)F)c1 ZINC001571294815 946146135 /nfs/dbraw/zinc/14/61/35/946146135.db2.gz MONNSAFNSBBHMJ-WCBMZHEXSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cnn(C(F)F)c1 ZINC001571294815 946146140 /nfs/dbraw/zinc/14/61/40/946146140.db2.gz MONNSAFNSBBHMJ-WCBMZHEXSA-N -1 1 390.358 0.963 20 0 GCADMM O=C(Cn1ccc(C(F)F)n1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294861 946148359 /nfs/dbraw/zinc/14/83/59/946148359.db2.gz NYFFWTUKCZZPKB-SECBINFHSA-N -1 1 390.358 0.504 20 0 GCADMM O=C(Cn1ccc(C(F)F)n1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294861 946148365 /nfs/dbraw/zinc/14/83/65/946148365.db2.gz NYFFWTUKCZZPKB-SECBINFHSA-N -1 1 390.358 0.504 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573478767 946149555 /nfs/dbraw/zinc/14/95/55/946149555.db2.gz YJAHJUAEAHBHFV-BQBZGAKWSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573478767 946149562 /nfs/dbraw/zinc/14/95/62/946149562.db2.gz YJAHJUAEAHBHFV-BQBZGAKWSA-N -1 1 386.869 0.665 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001571294984 946150241 /nfs/dbraw/zinc/15/02/41/946150241.db2.gz RPFQXTNEUDUPLT-QMMMGPOBSA-N -1 1 390.358 0.668 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001571294984 946150253 /nfs/dbraw/zinc/15/02/53/946150253.db2.gz RPFQXTNEUDUPLT-QMMMGPOBSA-N -1 1 390.358 0.668 20 0 GCADMM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cc(C(F)F)n[nH]1 ZINC001571295137 946154447 /nfs/dbraw/zinc/15/44/47/946154447.db2.gz UTKJMFBWKBMYSE-UHFFFAOYSA-N -1 1 390.358 0.716 20 0 GCADMM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cc(C(F)F)n[nH]1 ZINC001571295137 946154449 /nfs/dbraw/zinc/15/44/49/946154449.db2.gz UTKJMFBWKBMYSE-UHFFFAOYSA-N -1 1 390.358 0.716 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001571295333 946159283 /nfs/dbraw/zinc/15/92/83/946159283.db2.gz YAPSIVAPMOQVBR-HTQZYQBOSA-N -1 1 390.358 0.454 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573479549 946163920 /nfs/dbraw/zinc/16/39/20/946163920.db2.gz FERAPMFFNGTDRN-YPMHNXCESA-N -1 1 387.448 0.047 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001571295783 946174565 /nfs/dbraw/zinc/17/45/65/946174565.db2.gz FYFCFBBHXBNZAO-APPDUMDISA-N -1 1 390.423 0.601 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573480592 946175447 /nfs/dbraw/zinc/17/54/47/946175447.db2.gz LCXJMFSUQFKOCK-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573480592 946175453 /nfs/dbraw/zinc/17/54/53/946175453.db2.gz LCXJMFSUQFKOCK-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571295880 946176046 /nfs/dbraw/zinc/17/60/46/946176046.db2.gz IKXIPUMZGIALKZ-VXGBXAGGSA-N -1 1 390.448 0.645 20 0 GCADMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295845 946176508 /nfs/dbraw/zinc/17/65/08/946176508.db2.gz HLQAMLNMVMHAOG-MRXNPFEDSA-N -1 1 390.423 0.826 20 0 GCADMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295845 946176521 /nfs/dbraw/zinc/17/65/21/946176521.db2.gz HLQAMLNMVMHAOG-MRXNPFEDSA-N -1 1 390.423 0.826 20 0 GCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295857 946176581 /nfs/dbraw/zinc/17/65/81/946176581.db2.gz HRHKPHMGWKJNPE-NWDGAFQWSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C2(F)CCOCC2)C1 ZINC001571295857 946176597 /nfs/dbraw/zinc/17/65/97/946176597.db2.gz HRHKPHMGWKJNPE-NWDGAFQWSA-N -1 1 390.423 0.824 20 0 GCADMM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1sccc1F ZINC001571295914 946178805 /nfs/dbraw/zinc/17/88/05/946178805.db2.gz JETWSBKKWYYRET-SECBINFHSA-N -1 1 390.404 0.493 20 0 GCADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1sccc1F ZINC001571295914 946178808 /nfs/dbraw/zinc/17/88/08/946178808.db2.gz JETWSBKKWYYRET-SECBINFHSA-N -1 1 390.404 0.493 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573481057 946179357 /nfs/dbraw/zinc/17/93/57/946179357.db2.gz NQOJHVITWFISBO-WCQYABFASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573481057 946179370 /nfs/dbraw/zinc/17/93/70/946179370.db2.gz NQOJHVITWFISBO-WCQYABFASA-N -1 1 387.448 0.047 20 0 GCADMM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1sccc1F ZINC001571295915 946180240 /nfs/dbraw/zinc/18/02/40/946180240.db2.gz JETWSBKKWYYRET-VIFPVBQESA-N -1 1 390.404 0.493 20 0 GCADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1sccc1F ZINC001571295915 946180247 /nfs/dbraw/zinc/18/02/47/946180247.db2.gz JETWSBKKWYYRET-VIFPVBQESA-N -1 1 390.404 0.493 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001571296019 946181428 /nfs/dbraw/zinc/18/14/28/946181428.db2.gz MEAIHSUKLLXQEY-APPDUMDISA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001571296019 946181433 /nfs/dbraw/zinc/18/14/33/946181433.db2.gz MEAIHSUKLLXQEY-APPDUMDISA-N -1 1 390.423 0.824 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccc(F)s1 ZINC001571296340 946191004 /nfs/dbraw/zinc/19/10/04/946191004.db2.gz VGGPWRUMSILRST-DTWKUNHWSA-N -1 1 390.404 0.227 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571296304 946191690 /nfs/dbraw/zinc/19/16/90/946191690.db2.gz UEZCJAPDLDRAQM-QGZVFWFLSA-N -1 1 390.423 0.433 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571296304 946191700 /nfs/dbraw/zinc/19/17/00/946191700.db2.gz UEZCJAPDLDRAQM-QGZVFWFLSA-N -1 1 390.423 0.433 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001571296309 946192592 /nfs/dbraw/zinc/19/25/92/946192592.db2.gz ULDGFLPHLKDAPX-KRWDZBQOSA-N -1 1 390.423 0.744 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001571296309 946192599 /nfs/dbraw/zinc/19/25/99/946192599.db2.gz ULDGFLPHLKDAPX-KRWDZBQOSA-N -1 1 390.423 0.744 20 0 GCADMM Cc1cnoc1C(=O)NC[C@@H]1COCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571296345 946192619 /nfs/dbraw/zinc/19/26/19/946192619.db2.gz VICZOIJPEKICJH-SNVBAGLBSA-N -1 1 390.429 0.563 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573482570 946198046 /nfs/dbraw/zinc/19/80/46/946198046.db2.gz YCVABXNOKHDRRK-WCQYABFASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573482570 946198048 /nfs/dbraw/zinc/19/80/48/946198048.db2.gz YCVABXNOKHDRRK-WCQYABFASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N1CC(C(=O)N2CC[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571297839 946198091 /nfs/dbraw/zinc/19/80/91/946198091.db2.gz BBKMDUNUKPETKS-LLVKDONJSA-N -1 1 390.473 0.370 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573482568 946199314 /nfs/dbraw/zinc/19/93/14/946199314.db2.gz YCVABXNOKHDRRK-AAEUAGOBSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573482568 946199322 /nfs/dbraw/zinc/19/93/22/946199322.db2.gz YCVABXNOKHDRRK-AAEUAGOBSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573482860 946204148 /nfs/dbraw/zinc/20/41/48/946204148.db2.gz AXMSRMQPAFUACK-IEBDPFPHSA-N -1 1 378.462 0.463 20 0 GCADMM NC(=O)[C@@H]1CC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])=NN1c1ccccc1 ZINC000822860470 946205016 /nfs/dbraw/zinc/20/50/16/946205016.db2.gz VXEZAGNQBMMSKU-AWEZNQCLSA-N -1 1 392.379 0.631 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573483366 946208903 /nfs/dbraw/zinc/20/89/03/946208903.db2.gz FCFASVKXLFBCRR-PWSUYJOCSA-N -1 1 392.489 0.489 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573485391 946224126 /nfs/dbraw/zinc/22/41/26/946224126.db2.gz RPOBKGUMHPWTRN-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573485391 946224142 /nfs/dbraw/zinc/22/41/42/946224142.db2.gz RPOBKGUMHPWTRN-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001571299068 946237143 /nfs/dbraw/zinc/23/71/43/946237143.db2.gz UEOTVBQBTRGXLW-MFKMUULPSA-N -1 1 390.469 0.676 20 0 GCADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571299044 946237708 /nfs/dbraw/zinc/23/77/08/946237708.db2.gz TVUMBYXZRDIBFR-HWPZZCPQSA-N -1 1 390.473 0.561 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573486377 946241351 /nfs/dbraw/zinc/24/13/51/946241351.db2.gz DXKDACXYPSGONH-BXUZGUMPSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573486377 946241360 /nfs/dbraw/zinc/24/13/60/946241360.db2.gz DXKDACXYPSGONH-BXUZGUMPSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573486958 946245941 /nfs/dbraw/zinc/24/59/41/946245941.db2.gz JPODRIDYOUBXFJ-RAIGVLPGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573486958 946245951 /nfs/dbraw/zinc/24/59/51/946245951.db2.gz JPODRIDYOUBXFJ-RAIGVLPGSA-N -1 1 387.448 0.268 20 0 GCADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1occc1Cl ZINC001571299634 946255385 /nfs/dbraw/zinc/25/53/85/946255385.db2.gz NVUXAYQJJCFLIK-NXEZZACHSA-N -1 1 390.791 0.537 20 0 GCADMM Cc1nsc(N[C@H]2CN(C(=O)CN3CCCC3=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299667 946259829 /nfs/dbraw/zinc/25/98/29/946259829.db2.gz YVUYWUJQJYGSKU-ONGXEEELSA-N -1 1 390.473 0.513 20 0 GCADMM CO[C@H](C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001571299815 946261032 /nfs/dbraw/zinc/26/10/32/946261032.db2.gz VMHKCVLCXJPMNF-DOMZBBRYSA-N -1 1 390.448 0.357 20 0 GCADMM CO[C@H](C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001571299815 946261040 /nfs/dbraw/zinc/26/10/40/946261040.db2.gz VMHKCVLCXJPMNF-DOMZBBRYSA-N -1 1 390.448 0.357 20 0 GCADMM CO[C@H](C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001571299964 946266054 /nfs/dbraw/zinc/26/60/54/946266054.db2.gz WVDNJBPCFNBBHB-JSGCOSHPSA-N -1 1 390.448 0.275 20 0 GCADMM CO[C@H](C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001571299964 946266060 /nfs/dbraw/zinc/26/60/60/946266060.db2.gz WVDNJBPCFNBBHB-JSGCOSHPSA-N -1 1 390.448 0.275 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488546 946268773 /nfs/dbraw/zinc/26/87/73/946268773.db2.gz CBYJYFUPCLIXKL-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488546 946268780 /nfs/dbraw/zinc/26/87/80/946268780.db2.gz CBYJYFUPCLIXKL-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573488607 946270248 /nfs/dbraw/zinc/27/02/48/946270248.db2.gz FNJPPNBWAMZOPH-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573488607 946270255 /nfs/dbraw/zinc/27/02/55/946270255.db2.gz FNJPPNBWAMZOPH-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488861 946278431 /nfs/dbraw/zinc/27/84/31/946278431.db2.gz OJCRFPKXPKAFFM-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488861 946278439 /nfs/dbraw/zinc/27/84/39/946278439.db2.gz OJCRFPKXPKAFFM-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573488907 946279156 /nfs/dbraw/zinc/27/91/56/946279156.db2.gz PKCWHVHLFQUPDH-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573488907 946279167 /nfs/dbraw/zinc/27/91/67/946279167.db2.gz PKCWHVHLFQUPDH-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM COc1ncc(NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)cc1-c1nn[n-]n1 ZINC001571301773 946282169 /nfs/dbraw/zinc/28/21/69/946282169.db2.gz CWUOKKMAQXYZGN-UHFFFAOYSA-N -1 1 391.388 0.191 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573489081 946285216 /nfs/dbraw/zinc/28/52/16/946285216.db2.gz WYNIVAGVNQTKOL-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573489081 946285227 /nfs/dbraw/zinc/28/52/27/946285227.db2.gz WYNIVAGVNQTKOL-NSHDSACASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001573489070 946286047 /nfs/dbraw/zinc/28/60/47/946286047.db2.gz WQMOZGVYFFHOHW-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573489070 946286056 /nfs/dbraw/zinc/28/60/56/946286056.db2.gz WQMOZGVYFFHOHW-GFCCVEGCSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(c1ccncc1)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571302635 946309564 /nfs/dbraw/zinc/30/95/64/946309564.db2.gz DAHCGMBHQGDKFS-LIRRHRJNSA-N -1 1 391.439 0.828 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCc2cccnc21 ZINC001571302653 946311286 /nfs/dbraw/zinc/31/12/86/946311286.db2.gz DOYRPBRDRJWFTR-UONOGXRCSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2cccnc21 ZINC001571302653 946311299 /nfs/dbraw/zinc/31/12/99/946311299.db2.gz DOYRPBRDRJWFTR-UONOGXRCSA-N -1 1 391.439 0.867 20 0 GCADMM Cc1cccc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)n1 ZINC001571302827 946316838 /nfs/dbraw/zinc/31/68/38/946316838.db2.gz GQPGLGIKGHTMCH-KGLIPLIRSA-N -1 1 391.439 0.959 20 0 GCADMM Cc1cccc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)n1 ZINC001571302827 946316849 /nfs/dbraw/zinc/31/68/49/946316849.db2.gz GQPGLGIKGHTMCH-KGLIPLIRSA-N -1 1 391.439 0.959 20 0 GCADMM Cc1cccnc1C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571302897 946317655 /nfs/dbraw/zinc/31/76/55/946317655.db2.gz IPDOOONYDWAWRL-KGLIPLIRSA-N -1 1 391.439 0.959 20 0 GCADMM Cc1cccnc1C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571302897 946317665 /nfs/dbraw/zinc/31/76/65/946317665.db2.gz IPDOOONYDWAWRL-KGLIPLIRSA-N -1 1 391.439 0.959 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571303017 946320831 /nfs/dbraw/zinc/32/08/31/946320831.db2.gz JFXPCZKTWKRYGF-CYBMUJFWSA-N -1 1 391.439 0.870 20 0 GCADMM O=C([C@@H]1Cc2cccnc2C1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571303017 946320844 /nfs/dbraw/zinc/32/08/44/946320844.db2.gz JFXPCZKTWKRYGF-CYBMUJFWSA-N -1 1 391.439 0.870 20 0 GCADMM CN(C(=O)C1(c2cccnc2)CC1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571302979 946322457 /nfs/dbraw/zinc/32/24/57/946322457.db2.gz GMPJEHNBQOJTPA-CQSZACIVSA-N -1 1 391.439 0.821 20 0 GCADMM CN(C(=O)C1(c2cccnc2)CC1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571302979 946322469 /nfs/dbraw/zinc/32/24/69/946322469.db2.gz GMPJEHNBQOJTPA-CQSZACIVSA-N -1 1 391.439 0.821 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000823136250 946326556 /nfs/dbraw/zinc/32/65/56/946326556.db2.gz QNBFKZMBXHBJGB-UHFFFAOYSA-N -1 1 399.440 0.286 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571303257 946327953 /nfs/dbraw/zinc/32/79/53/946327953.db2.gz MRYWSTUWRQEULY-LSDHHAIUSA-N -1 1 391.439 0.722 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571303255 946328914 /nfs/dbraw/zinc/32/89/14/946328914.db2.gz MRYHJYIJOYUSBJ-MRVWCRGKSA-N -1 1 391.439 0.773 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571303255 946328926 /nfs/dbraw/zinc/32/89/26/946328926.db2.gz MRYHJYIJOYUSBJ-MRVWCRGKSA-N -1 1 391.439 0.773 20 0 GCADMM Cc1cnc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)cc1C ZINC001571303260 946332204 /nfs/dbraw/zinc/33/22/04/946332204.db2.gz MSGMWLHMXZGMPK-ZSOGYDGISA-N -1 1 391.439 0.781 20 0 GCADMM Cc1cnc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)cc1C ZINC001571303260 946332214 /nfs/dbraw/zinc/33/22/14/946332214.db2.gz MSGMWLHMXZGMPK-ZSOGYDGISA-N -1 1 391.439 0.781 20 0 GCADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571303276 946332482 /nfs/dbraw/zinc/33/24/82/946332482.db2.gz NHJJNJNKIIEAIP-LSDHHAIUSA-N -1 1 391.439 0.894 20 0 GCADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571303276 946332494 /nfs/dbraw/zinc/33/24/94/946332494.db2.gz NHJJNJNKIIEAIP-LSDHHAIUSA-N -1 1 391.439 0.894 20 0 GCADMM CCCOC1(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCCC1 ZINC001571303361 946332801 /nfs/dbraw/zinc/33/28/01/946332801.db2.gz LFPUKFJNZDUOIB-UHFFFAOYSA-N -1 1 391.432 0.375 20 0 GCADMM O=C(Cc1cccnc1)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571303460 946336645 /nfs/dbraw/zinc/33/66/45/946336645.db2.gz RCIQTUHWRTVIPV-LIRRHRJNSA-N -1 1 391.439 0.912 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571303500 946338929 /nfs/dbraw/zinc/33/89/29/946338929.db2.gz MLPVEZGZAMIXJU-ABAIWWIYSA-N -1 1 391.439 0.924 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001571303885 946350006 /nfs/dbraw/zinc/35/00/06/946350006.db2.gz RYMGITVUGLUANE-SOUVJXGZSA-N -1 1 391.439 0.893 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001571303885 946350018 /nfs/dbraw/zinc/35/00/18/946350018.db2.gz RYMGITVUGLUANE-SOUVJXGZSA-N -1 1 391.439 0.893 20 0 GCADMM CC(=O)NC1CCN(C(=O)CCCN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573497553 946352130 /nfs/dbraw/zinc/35/21/30/946352130.db2.gz SEDXXGBSNZACGG-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1CCN(C(=O)CCCN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573497553 946352142 /nfs/dbraw/zinc/35/21/42/946352142.db2.gz SEDXXGBSNZACGG-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1CCN(C(=O)CCCN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573497681 946355377 /nfs/dbraw/zinc/35/53/77/946355377.db2.gz VBMLKDYTIRMBAV-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1CCN(C(=O)CCCN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573497681 946355387 /nfs/dbraw/zinc/35/53/87/946355387.db2.gz VBMLKDYTIRMBAV-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CCc1cccnc1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571304090 946356746 /nfs/dbraw/zinc/35/67/46/946356746.db2.gz XTLGFNPPBMCPND-OKILXGFUSA-N -1 1 391.439 0.823 20 0 GCADMM CCc1cccnc1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571304090 946356761 /nfs/dbraw/zinc/35/67/61/946356761.db2.gz XTLGFNPPBMCPND-OKILXGFUSA-N -1 1 391.439 0.823 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC001573499408 946366089 /nfs/dbraw/zinc/36/60/89/946366089.db2.gz CJDICVKYWVVWTP-XPUUQOCRSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC001573499408 946366102 /nfs/dbraw/zinc/36/61/02/946366102.db2.gz CJDICVKYWVVWTP-XPUUQOCRSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573499704 946370305 /nfs/dbraw/zinc/37/03/05/946370305.db2.gz FNEDEJGRBAUNSF-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N(C)CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573499704 946370318 /nfs/dbraw/zinc/37/03/18/946370318.db2.gz FNEDEJGRBAUNSF-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1C ZINC001573502511 946388147 /nfs/dbraw/zinc/38/81/47/946388147.db2.gz WUCFXJYBRGMOFT-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CCOc1cc(Cl)ccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571306272 946395241 /nfs/dbraw/zinc/39/52/41/946395241.db2.gz RSOFQOFFAQHFGQ-UHFFFAOYSA-N -1 1 391.775 0.820 20 0 GCADMM 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ZINC001571310635 946477791 /nfs/dbraw/zinc/47/77/91/946477791.db2.gz LGURNALQDSDPFO-VIFPVBQESA-N -1 1 392.445 0.127 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001573510446 946478107 /nfs/dbraw/zinc/47/81/07/946478107.db2.gz HOVSSVQBZQUJQT-ZDUSSCGKSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001573510446 946478112 /nfs/dbraw/zinc/47/81/12/946478112.db2.gz HOVSSVQBZQUJQT-ZDUSSCGKSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573510780 946482085 /nfs/dbraw/zinc/48/20/85/946482085.db2.gz KVLQAKJWBNPDTR-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573510780 946482091 /nfs/dbraw/zinc/48/20/91/946482091.db2.gz KVLQAKJWBNPDTR-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573511322 946483824 /nfs/dbraw/zinc/48/38/24/946483824.db2.gz 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O=C(CCc1ccncn1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571312358 946490205 /nfs/dbraw/zinc/49/02/05/946490205.db2.gz AFQNTWSPLCJHIE-GXTWGEPZSA-N -1 1 392.427 0.117 20 0 GCADMM O=C(CCc1ccncn1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571312358 946490207 /nfs/dbraw/zinc/49/02/07/946490207.db2.gz AFQNTWSPLCJHIE-GXTWGEPZSA-N -1 1 392.427 0.117 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)cnn1 ZINC001571312378 946490260 /nfs/dbraw/zinc/49/02/60/946490260.db2.gz BABGIZSBALYANO-KGLIPLIRSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)cnn1 ZINC001571312378 946490264 /nfs/dbraw/zinc/49/02/64/946490264.db2.gz BABGIZSBALYANO-KGLIPLIRSA-N -1 1 392.427 0.639 20 0 GCADMM Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)c1C1CC1 ZINC001571312478 946493220 /nfs/dbraw/zinc/49/32/20/946493220.db2.gz FGABPNQGDXNEFV-RYUDHWBXSA-N -1 1 392.427 0.371 20 0 GCADMM Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)c1C1CC1 ZINC001571312478 946493230 /nfs/dbraw/zinc/49/32/30/946493230.db2.gz FGABPNQGDXNEFV-RYUDHWBXSA-N -1 1 392.427 0.371 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1COc2ccccc2C1 ZINC001571312511 946493282 /nfs/dbraw/zinc/49/32/82/946493282.db2.gz GJWLTHCPOYHLKC-MGPQQGTHSA-N -1 1 392.423 0.967 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1COc2ccccc2C1 ZINC001571312511 946493292 /nfs/dbraw/zinc/49/32/92/946493292.db2.gz GJWLTHCPOYHLKC-MGPQQGTHSA-N -1 1 392.423 0.967 20 0 GCADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1cccnn1 ZINC001571312467 946494431 /nfs/dbraw/zinc/49/44/31/946494431.db2.gz DVDKJWDBRRUXAV-CLLJXQQHSA-N -1 1 392.427 0.624 20 0 GCADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1cccnn1 ZINC001571312467 946494440 /nfs/dbraw/zinc/49/44/40/946494440.db2.gz DVDKJWDBRRUXAV-CLLJXQQHSA-N -1 1 392.427 0.624 20 0 GCADMM Cc1nccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571312564 946495554 /nfs/dbraw/zinc/49/55/54/946495554.db2.gz HMRCNBVSZJKHNI-YHWZYXNKSA-N -1 1 392.427 0.685 20 0 GCADMM Cc1nccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571312564 946495558 /nfs/dbraw/zinc/49/55/58/946495558.db2.gz HMRCNBVSZJKHNI-YHWZYXNKSA-N -1 1 392.427 0.685 20 0 GCADMM O=C(c1ccncn1)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571312618 946496984 /nfs/dbraw/zinc/49/69/84/946496984.db2.gz IZWLBYHBXWQTBP-UHFFFAOYSA-N -1 1 392.427 0.579 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573512439 946498891 /nfs/dbraw/zinc/49/88/91/946498891.db2.gz FZHGTVSQLQLTKO-VXGBXAGGSA-N -1 1 392.489 0.855 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571312758 946501379 /nfs/dbraw/zinc/50/13/79/946501379.db2.gz JUQRJNAWRFNHNM-AWEZNQCLSA-N -1 1 392.427 0.544 20 0 GCADMM Cc1nnccc1C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571312758 946501390 /nfs/dbraw/zinc/50/13/90/946501390.db2.gz JUQRJNAWRFNHNM-AWEZNQCLSA-N -1 1 392.427 0.544 20 0 GCADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1ccnc(C2CC2)n1 ZINC001571312938 946504974 /nfs/dbraw/zinc/50/49/74/946504974.db2.gz MIPQTFPLGDYPNP-UHFFFAOYSA-N -1 1 392.427 0.945 20 0 GCADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1ccnc(C2CC2)n1 ZINC001571312938 946504981 /nfs/dbraw/zinc/50/49/81/946504981.db2.gz MIPQTFPLGDYPNP-UHFFFAOYSA-N -1 1 392.427 0.945 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571312914 946505008 /nfs/dbraw/zinc/50/50/08/946505008.db2.gz LXRAKODNWMBMAF-WFASDCNBSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571312914 946505016 /nfs/dbraw/zinc/50/50/16/946505016.db2.gz LXRAKODNWMBMAF-WFASDCNBSA-N -1 1 392.427 0.496 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573513200 946509052 /nfs/dbraw/zinc/50/90/52/946509052.db2.gz LQCYTZGYVWSSFG-KCJUWKMLSA-N -1 1 378.462 0.241 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC001571313090 946510728 /nfs/dbraw/zinc/51/07/28/946510728.db2.gz NKKOSTYPMFRMBT-WFASDCNBSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC001571313090 946510732 /nfs/dbraw/zinc/51/07/32/946510732.db2.gz NKKOSTYPMFRMBT-WFASDCNBSA-N -1 1 392.427 0.578 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)c4ccnnc4)CCC[C@@H]23)n1 ZINC001571313094 946511064 /nfs/dbraw/zinc/51/10/64/946511064.db2.gz NLPXNILKWXVGCK-RDTXWAMCSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)c4ccnnc4)CCC[C@@H]23)n1 ZINC001571313094 946511072 /nfs/dbraw/zinc/51/10/72/946511072.db2.gz NLPXNILKWXVGCK-RDTXWAMCSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)C[C@H]32)c(C)nn1 ZINC001571313132 946513489 /nfs/dbraw/zinc/51/34/89/946513489.db2.gz ONXHPOALNUGLSP-NHAGDIPZSA-N -1 1 392.427 0.237 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)C[C@H]32)c(C)nn1 ZINC001571313132 946513495 /nfs/dbraw/zinc/51/34/95/946513495.db2.gz ONXHPOALNUGLSP-NHAGDIPZSA-N -1 1 392.427 0.237 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nnn[n-]3)n2)c(C)nn1 ZINC001571313134 946513751 /nfs/dbraw/zinc/51/37/51/946513751.db2.gz OPKMOPJUNQRRRO-STQMWFEESA-N -1 1 392.427 0.475 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nn[n-]n3)n2)c(C)nn1 ZINC001571313134 946513756 /nfs/dbraw/zinc/51/37/56/946513756.db2.gz OPKMOPJUNQRRRO-STQMWFEESA-N -1 1 392.427 0.475 20 0 GCADMM C[C@H]1CN(C(=O)c2cncnc2C2CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571313455 946522665 /nfs/dbraw/zinc/52/26/65/946522665.db2.gz ROQHBDHTSZGSCE-GWCFXTLKSA-N -1 1 392.427 0.319 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cnc2n1CCCC2 ZINC001571313439 946522950 /nfs/dbraw/zinc/52/29/50/946522950.db2.gz RAPMOKKXJKGBOU-HBYGRHMLSA-N -1 1 392.427 0.054 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1(c2ccccc2)CC1 ZINC001571313583 946526299 /nfs/dbraw/zinc/52/62/99/946526299.db2.gz SCUYTGMCEIOBIC-CABCVRRESA-N -1 1 392.423 0.054 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1(c2ccccc2)CC1 ZINC001571313583 946526302 /nfs/dbraw/zinc/52/63/02/946526302.db2.gz SCUYTGMCEIOBIC-CABCVRRESA-N -1 1 392.423 0.054 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571313613 946527185 /nfs/dbraw/zinc/52/71/85/946527185.db2.gz UOZPPRKEXCEGLL-AVGNSLFASA-N -1 1 392.427 0.542 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571313613 946527190 /nfs/dbraw/zinc/52/71/90/946527190.db2.gz UOZPPRKEXCEGLL-AVGNSLFASA-N -1 1 392.427 0.542 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571313610 946528804 /nfs/dbraw/zinc/52/88/04/946528804.db2.gz UOBXFCFSUMHURM-JSGCOSHPSA-N -1 1 392.427 0.496 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571313610 946528812 /nfs/dbraw/zinc/52/88/12/946528812.db2.gz UOBXFCFSUMHURM-JSGCOSHPSA-N -1 1 392.427 0.496 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccc2c1CCC2 ZINC001571313678 946529486 /nfs/dbraw/zinc/52/94/86/946529486.db2.gz VKUAFZCCEYUNIH-CVEARBPZSA-N -1 1 392.423 0.125 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccc2c1CCC2 ZINC001571313678 946529497 /nfs/dbraw/zinc/52/94/97/946529497.db2.gz VKUAFZCCEYUNIH-CVEARBPZSA-N -1 1 392.423 0.125 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313699 946529517 /nfs/dbraw/zinc/52/95/17/946529517.db2.gz VNAKHJQUEFVSKM-JSGCOSHPSA-N -1 1 392.427 0.496 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cnn(CC2CC2)c1 ZINC001571313906 946536470 /nfs/dbraw/zinc/53/64/70/946536470.db2.gz XGLRDGVLTMDEGY-VIKVFOODSA-N -1 1 392.427 0.128 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cnn(CC2CC2)c1 ZINC001571313906 946536482 /nfs/dbraw/zinc/53/64/82/946536482.db2.gz XGLRDGVLTMDEGY-VIKVFOODSA-N -1 1 392.427 0.128 20 0 GCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCOC1 ZINC001571313911 946536751 /nfs/dbraw/zinc/53/67/51/946536751.db2.gz XHOUMEKWSVSULA-SUYBPPKGSA-N -1 1 392.423 0.887 20 0 GCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCOC1 ZINC001571313911 946536759 /nfs/dbraw/zinc/53/67/59/946536759.db2.gz XHOUMEKWSVSULA-SUYBPPKGSA-N -1 1 392.423 0.887 20 0 GCADMM O=C(NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1cncnc1C1CC1 ZINC001571313931 946537018 /nfs/dbraw/zinc/53/70/18/946537018.db2.gz XQTWUAOYBGIQIT-UHFFFAOYSA-N -1 1 392.427 0.945 20 0 GCADMM O=C(NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1cncnc1C1CC1 ZINC001571313931 946537026 /nfs/dbraw/zinc/53/70/26/946537026.db2.gz XQTWUAOYBGIQIT-UHFFFAOYSA-N -1 1 392.427 0.945 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1ccc2c(c1)CCC2 ZINC001571313977 946538017 /nfs/dbraw/zinc/53/80/17/946538017.db2.gz YMVAHJPKNVNLIX-CVEARBPZSA-N -1 1 392.423 0.125 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccc2c(c1)CCC2 ZINC001571313977 946538024 /nfs/dbraw/zinc/53/80/24/946538024.db2.gz YMVAHJPKNVNLIX-CVEARBPZSA-N -1 1 392.423 0.125 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573517371 946571227 /nfs/dbraw/zinc/57/12/27/946571227.db2.gz ISSLLVOYDDJTIW-GFCCVEGCSA-N -1 1 392.489 0.633 20 0 GCADMM CC(=O)NCC(=O)NCC[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573520109 946591766 /nfs/dbraw/zinc/59/17/66/946591766.db2.gz DFHBSBQDJRAMAB-NSHDSACASA-N -1 1 378.462 0.100 20 0 GCADMM CC(=O)NCC(=O)NCCN(c1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573521127 946603010 /nfs/dbraw/zinc/60/30/10/946603010.db2.gz QYNRQOPZDGZPOB-UHFFFAOYSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)NCCN(c1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573521127 946603018 /nfs/dbraw/zinc/60/30/18/946603018.db2.gz QYNRQOPZDGZPOB-UHFFFAOYSA-N -1 1 384.853 0.198 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001571317406 946608950 /nfs/dbraw/zinc/60/89/50/946608950.db2.gz GWNLNPTVIWFDHS-NWDGAFQWSA-N -1 1 392.489 0.198 20 0 GCADMM CS[C@@H](C)C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001571317406 946608955 /nfs/dbraw/zinc/60/89/55/946608955.db2.gz GWNLNPTVIWFDHS-NWDGAFQWSA-N -1 1 392.489 0.198 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571317492 946611351 /nfs/dbraw/zinc/61/13/51/946611351.db2.gz JXGXMQGMHYEUGD-IJLUTSLNSA-N -1 1 392.489 0.684 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@@H](C)SC)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571317492 946611359 /nfs/dbraw/zinc/61/13/59/946611359.db2.gz JXGXMQGMHYEUGD-IJLUTSLNSA-N -1 1 392.489 0.684 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573521752 946611701 /nfs/dbraw/zinc/61/17/01/946611701.db2.gz FFHIHMDDNGYVAD-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1C[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573521752 946611710 /nfs/dbraw/zinc/61/17/10/946611710.db2.gz FFHIHMDDNGYVAD-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM CO[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1CCOC1 ZINC001571317670 946617142 /nfs/dbraw/zinc/61/71/42/946617142.db2.gz QINHMCHHADDEAL-WFASDCNBSA-N -1 1 392.485 0.624 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573522035 946620341 /nfs/dbraw/zinc/62/03/41/946620341.db2.gz WUVJZTRRJLKFGN-QMMMGPOBSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573522035 946620347 /nfs/dbraw/zinc/62/03/47/946620347.db2.gz WUVJZTRRJLKFGN-QMMMGPOBSA-N -1 1 384.853 0.198 20 0 GCADMM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@@H]1CCCCO1 ZINC001571317791 946621235 /nfs/dbraw/zinc/62/12/35/946621235.db2.gz VXOLUBSUJIXUHM-OCCSQVGLSA-N -1 1 392.485 0.814 20 0 GCADMM CS[C@H](C)C(=O)N1CCC(N(CCO)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571317824 946622213 /nfs/dbraw/zinc/62/22/13/946622213.db2.gz WJNZESULSMRQAI-LLVKDONJSA-N -1 1 392.489 0.198 20 0 GCADMM CS[C@H](C)C(=O)N1CCC(N(CCO)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571317824 946622221 /nfs/dbraw/zinc/62/22/21/946622221.db2.gz WJNZESULSMRQAI-LLVKDONJSA-N -1 1 392.489 0.198 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573522157 946622345 /nfs/dbraw/zinc/62/23/45/946622345.db2.gz BLSAKBOAUIIXNJ-LLVKDONJSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001573522133 946623142 /nfs/dbraw/zinc/62/31/42/946623142.db2.gz BGJRJDJFRIVGIA-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001573522133 946623146 /nfs/dbraw/zinc/62/31/46/946623146.db2.gz BGJRJDJFRIVGIA-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccns1 ZINC001571317844 946624058 /nfs/dbraw/zinc/62/40/58/946624058.db2.gz XDVMPIVMOVAYJK-RKDXNWHRSA-N -1 1 392.470 0.722 20 0 GCADMM CS(=O)(=O)C1(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCOCC1 ZINC001571317920 946624504 /nfs/dbraw/zinc/62/45/04/946624504.db2.gz YPJUVVBWITYRQX-UHFFFAOYSA-N -1 1 392.850 0.509 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573522597 946628078 /nfs/dbraw/zinc/62/80/78/946628078.db2.gz HDVCKZINDHUGBY-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573522597 946628086 /nfs/dbraw/zinc/62/80/86/946628086.db2.gz HDVCKZINDHUGBY-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573522902 946632211 /nfs/dbraw/zinc/63/22/11/946632211.db2.gz MTPKWHSFFKIKPC-GFCCVEGCSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573522902 946632218 /nfs/dbraw/zinc/63/22/18/946632218.db2.gz MTPKWHSFFKIKPC-GFCCVEGCSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573523086 946632231 /nfs/dbraw/zinc/63/22/31/946632231.db2.gz NUBMJFBMIYIWBG-UHFFFAOYSA-N -1 1 377.474 0.391 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573522915 946632250 /nfs/dbraw/zinc/63/22/50/946632250.db2.gz MXVSLKOTWPCAJR-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573522915 946632256 /nfs/dbraw/zinc/63/22/56/946632256.db2.gz MXVSLKOTWPCAJR-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573523615 946637453 /nfs/dbraw/zinc/63/74/53/946637453.db2.gz STZOYRWWOPQRBH-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573523615 946637457 /nfs/dbraw/zinc/63/74/57/946637457.db2.gz STZOYRWWOPQRBH-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573527748 946645193 /nfs/dbraw/zinc/64/51/93/946645193.db2.gz GRRUYHIIPROWRR-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573527748 946645197 /nfs/dbraw/zinc/64/51/97/946645197.db2.gz GRRUYHIIPROWRR-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573527709 946645399 /nfs/dbraw/zinc/64/53/99/946645399.db2.gz FJUCQNPIMRTWIV-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573527709 946645408 /nfs/dbraw/zinc/64/54/08/946645408.db2.gz FJUCQNPIMRTWIV-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573528135 946657087 /nfs/dbraw/zinc/65/70/87/946657087.db2.gz VSTHDZBCLFOVAL-LLVKDONJSA-N -1 1 389.464 0.068 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573528135 946657096 /nfs/dbraw/zinc/65/70/96/946657096.db2.gz VSTHDZBCLFOVAL-LLVKDONJSA-N -1 1 389.464 0.068 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573535297 946722179 /nfs/dbraw/zinc/72/21/79/946722179.db2.gz BBRRNTDBAGXMJX-JHJVBQTASA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573535297 946722193 /nfs/dbraw/zinc/72/21/93/946722193.db2.gz BBRRNTDBAGXMJX-JHJVBQTASA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1)C(C)C ZINC001573535331 946723033 /nfs/dbraw/zinc/72/30/33/946723033.db2.gz CHWLQYMUYQTLJS-DGCLKSJQSA-N -1 1 392.489 0.487 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573535807 946724250 /nfs/dbraw/zinc/72/42/50/946724250.db2.gz JONNSWLOQFXNDJ-SMDDNHRTSA-N -1 1 389.464 0.067 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573535807 946724257 /nfs/dbraw/zinc/72/42/57/946724257.db2.gz JONNSWLOQFXNDJ-SMDDNHRTSA-N -1 1 389.464 0.067 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)C ZINC001573535950 946726818 /nfs/dbraw/zinc/72/68/18/946726818.db2.gz LRTSJRXVUJNKCN-UKRRQHHQSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)C ZINC001573535950 946726822 /nfs/dbraw/zinc/72/68/22/946726822.db2.gz LRTSJRXVUJNKCN-UKRRQHHQSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573535869 946728265 /nfs/dbraw/zinc/72/82/65/946728265.db2.gz LGWVSGFLAFMCPV-ZWNOBZJWSA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573535869 946728271 /nfs/dbraw/zinc/72/82/71/946728271.db2.gz LGWVSGFLAFMCPV-ZWNOBZJWSA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)C ZINC001573535985 946728479 /nfs/dbraw/zinc/72/84/79/946728479.db2.gz MVCWCJAKSPSOLI-SWLSCSKDSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)C ZINC001573535985 946728488 /nfs/dbraw/zinc/72/84/88/946728488.db2.gz MVCWCJAKSPSOLI-SWLSCSKDSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C)C(C)C ZINC001573536093 946729127 /nfs/dbraw/zinc/72/91/27/946729127.db2.gz OVOXZXLAYFWEDF-IUODEOHRSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C)C(C)C ZINC001573536093 946729136 /nfs/dbraw/zinc/72/91/36/946729136.db2.gz OVOXZXLAYFWEDF-IUODEOHRSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573536162 946733408 /nfs/dbraw/zinc/73/34/08/946733408.db2.gz QVTOKEOEKNCLOX-KOHJWAIASA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573536162 946733414 /nfs/dbraw/zinc/73/34/14/946733414.db2.gz QVTOKEOEKNCLOX-KOHJWAIASA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573536383 946734861 /nfs/dbraw/zinc/73/48/61/946734861.db2.gz VHCKKVMTARQIAH-QMTHXVAHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573536383 946734874 /nfs/dbraw/zinc/73/48/74/946734874.db2.gz VHCKKVMTARQIAH-QMTHXVAHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536628 946737328 /nfs/dbraw/zinc/73/73/28/946737328.db2.gz ZPWNLCQNTLYXKF-QMTHXVAHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536628 946737334 /nfs/dbraw/zinc/73/73/34/946737334.db2.gz ZPWNLCQNTLYXKF-QMTHXVAHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C)C(C)C ZINC001573536579 946737738 /nfs/dbraw/zinc/73/77/38/946737738.db2.gz YCBWVICNSQUWNP-CHWSQXEVSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C)C(C)C ZINC001573536579 946737743 /nfs/dbraw/zinc/73/77/43/946737743.db2.gz YCBWVICNSQUWNP-CHWSQXEVSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573537106 946743245 /nfs/dbraw/zinc/74/32/45/946743245.db2.gz HNPYGLXMWXKRMJ-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573537106 946743253 /nfs/dbraw/zinc/74/32/53/946743253.db2.gz HNPYGLXMWXKRMJ-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573537350 946744144 /nfs/dbraw/zinc/74/41/44/946744144.db2.gz KSOHMXXDQBTPDA-IUODEOHRSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537350 946744146 /nfs/dbraw/zinc/74/41/46/946744146.db2.gz KSOHMXXDQBTPDA-IUODEOHRSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537112 946744459 /nfs/dbraw/zinc/74/44/59/946744459.db2.gz HTMVFMLNWADZHM-SWLSCSKDSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537112 946744469 /nfs/dbraw/zinc/74/44/69/946744469.db2.gz HTMVFMLNWADZHM-SWLSCSKDSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573537357 946747206 /nfs/dbraw/zinc/74/72/06/946747206.db2.gz KYSZBYLINBAPFS-IUODEOHRSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573537357 946747212 /nfs/dbraw/zinc/74/72/12/946747212.db2.gz KYSZBYLINBAPFS-IUODEOHRSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573537482 946750150 /nfs/dbraw/zinc/75/01/50/946750150.db2.gz CVTBJFBEJMSLKB-IINYFYTJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573537482 946750158 /nfs/dbraw/zinc/75/01/58/946750158.db2.gz CVTBJFBEJMSLKB-IINYFYTJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573537489 946750564 /nfs/dbraw/zinc/75/05/64/946750564.db2.gz DABKXRBIZLVOSE-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573537489 946750570 /nfs/dbraw/zinc/75/05/70/946750570.db2.gz DABKXRBIZLVOSE-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537562 946752569 /nfs/dbraw/zinc/75/25/69/946752569.db2.gz OVXFSLBUEWRMEY-WDBKCZKBSA-N -1 1 387.448 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537562 946752577 /nfs/dbraw/zinc/75/25/77/946752577.db2.gz OVXFSLBUEWRMEY-WDBKCZKBSA-N -1 1 387.448 0.076 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573537636 946754310 /nfs/dbraw/zinc/75/43/10/946754310.db2.gz HXCIXKNNWJGGIO-ZDUSSCGKSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573537636 946754315 /nfs/dbraw/zinc/75/43/15/946754315.db2.gz HXCIXKNNWJGGIO-ZDUSSCGKSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573537638 946754873 /nfs/dbraw/zinc/75/48/73/946754873.db2.gz HXSRMRIVFDGGRK-RISCZKNCSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573537638 946754879 /nfs/dbraw/zinc/75/48/79/946754879.db2.gz HXSRMRIVFDGGRK-RISCZKNCSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573537746 946758004 /nfs/dbraw/zinc/75/80/04/946758004.db2.gz KMRZIUMZYNZFIY-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573537746 946758012 /nfs/dbraw/zinc/75/80/12/946758012.db2.gz KMRZIUMZYNZFIY-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573537826 946758129 /nfs/dbraw/zinc/75/81/29/946758129.db2.gz KZYQYBNSLAPAMD-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573537826 946758136 /nfs/dbraw/zinc/75/81/36/946758136.db2.gz KZYQYBNSLAPAMD-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573537732 946758625 /nfs/dbraw/zinc/75/86/25/946758625.db2.gz KDMSSPZOEKROMK-RISCZKNCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573537732 946758632 /nfs/dbraw/zinc/75/86/32/946758632.db2.gz KDMSSPZOEKROMK-RISCZKNCSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573537944 946760361 /nfs/dbraw/zinc/76/03/61/946760361.db2.gz NRROJMURFNHAIC-YPMHNXCESA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573537944 946760368 /nfs/dbraw/zinc/76/03/68/946760368.db2.gz NRROJMURFNHAIC-YPMHNXCESA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573538170 946762663 /nfs/dbraw/zinc/76/26/63/946762663.db2.gz PAWNJIYYEXXPJM-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573538170 946762673 /nfs/dbraw/zinc/76/26/73/946762673.db2.gz PAWNJIYYEXXPJM-AAEUAGOBSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540428 946775747 /nfs/dbraw/zinc/77/57/47/946775747.db2.gz DQCCZJKQYNZQHK-GXFFZTMASA-N -1 1 389.464 0.148 20 0 GCADMM 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GCADMM CC(=O)N[C@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)(C)C ZINC001573541947 946793405 /nfs/dbraw/zinc/79/34/05/946793405.db2.gz ZERDGFOOWQXUMZ-CQSZACIVSA-N -1 1 391.501 0.779 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)c(F)c1 ZINC001573546502 946808873 /nfs/dbraw/zinc/80/88/73/946808873.db2.gz BHRHFVJTOLMGTE-UHFFFAOYSA-N -1 1 397.417 0.899 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)c(F)c1 ZINC001573546502 946808881 /nfs/dbraw/zinc/80/88/81/946808881.db2.gz BHRHFVJTOLMGTE-UHFFFAOYSA-N -1 1 397.417 0.899 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NCCN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573546715 946818653 /nfs/dbraw/zinc/81/86/53/946818653.db2.gz NVRMJXRQJSBNCM-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1cccc(C(=O)N[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573546911 946821636 /nfs/dbraw/zinc/82/16/36/946821636.db2.gz RHLGMQVJIRJPRU-SNVBAGLBSA-N -1 1 381.400 0.267 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001573546955 946823594 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GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573547574 946837293 /nfs/dbraw/zinc/83/72/93/946837293.db2.gz PNVFWXDVARBNBZ-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573547574 946837304 /nfs/dbraw/zinc/83/73/04/946837304.db2.gz PNVFWXDVARBNBZ-SNVBAGLBSA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N(C)CCNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001573547730 946838103 /nfs/dbraw/zinc/83/81/03/946838103.db2.gz RKFOXKSRVGNWTP-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N(C)CCNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001573547730 946838109 /nfs/dbraw/zinc/83/81/09/946838109.db2.gz RKFOXKSRVGNWTP-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573547573 946839088 /nfs/dbraw/zinc/83/90/88/946839088.db2.gz PNVFWXDVARBNBZ-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573547573 946839096 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GCADMM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2nccnc2-c2nn[n-]n2)nc1 ZINC001573547926 946844287 /nfs/dbraw/zinc/84/42/87/946844287.db2.gz YNQZDUIYYUEIQJ-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)cs1 ZINC001573548195 946847414 /nfs/dbraw/zinc/84/74/14/946847414.db2.gz FIHJFXGQMWRZKA-ZETCQYMHSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)cs1 ZINC001573548195 946847421 /nfs/dbraw/zinc/84/74/21/946847421.db2.gz FIHJFXGQMWRZKA-ZETCQYMHSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cs1 ZINC001573548194 946847948 /nfs/dbraw/zinc/84/79/48/946847948.db2.gz FIHJFXGQMWRZKA-SSDOTTSWSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1nc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cs1 ZINC001573548194 946847958 /nfs/dbraw/zinc/84/79/58/946847958.db2.gz FIHJFXGQMWRZKA-SSDOTTSWSA-N -1 1 388.417 0.302 20 0 GCADMM CC(=O)Nc1ncc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001573548314 946849912 /nfs/dbraw/zinc/84/99/12/946849912.db2.gz IMQSSTCRRYUJDK-UHFFFAOYSA-N -1 1 380.415 0.155 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573548387 946854000 /nfs/dbraw/zinc/85/40/00/946854000.db2.gz JZZKHOFHKCOERK-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573548387 946854008 /nfs/dbraw/zinc/85/40/08/946854008.db2.gz JZZKHOFHKCOERK-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)OCC(C)(C)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573550661 946864706 /nfs/dbraw/zinc/86/47/06/946864706.db2.gz CYRGMNNZCWIZJP-UHFFFAOYSA-N -1 1 392.420 0.344 20 0 GCADMM CC(=O)OCC(C)(C)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573550661 946864719 /nfs/dbraw/zinc/86/47/19/946864719.db2.gz CYRGMNNZCWIZJP-UHFFFAOYSA-N -1 1 392.420 0.344 20 0 GCADMM CC(=O)c1c(C)cc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1C ZINC001573552274 946873615 /nfs/dbraw/zinc/87/36/15/946873615.db2.gz NFXQMKGZRAALNB-UHFFFAOYSA-N -1 1 383.368 0.587 20 0 GCADMM C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824860521 946954891 /nfs/dbraw/zinc/95/48/91/946954891.db2.gz VJQLIIIDXPVGGE-QWRGUYRKSA-N -1 1 391.436 0.315 20 0 GCADMM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824975817 947017950 /nfs/dbraw/zinc/01/79/50/947017950.db2.gz LLMJDPYEBBASSS-QWRGUYRKSA-N -1 1 391.436 0.315 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc(C2CCC2)n1C ZINC000825000593 947037914 /nfs/dbraw/zinc/03/79/14/947037914.db2.gz SUZUCVORFYLKLP-LBPRGKRZSA-N -1 1 395.475 0.763 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc(C2CCC2)n1C ZINC000825000593 947037919 /nfs/dbraw/zinc/03/79/19/947037919.db2.gz SUZUCVORFYLKLP-LBPRGKRZSA-N -1 1 395.475 0.763 20 0 GCADMM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825067781 947066522 /nfs/dbraw/zinc/06/65/22/947066522.db2.gz MYBMDXLIOPQPFX-GZMMTYOYSA-N -1 1 379.446 0.522 20 0 GCADMM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825067781 947066537 /nfs/dbraw/zinc/06/65/37/947066537.db2.gz MYBMDXLIOPQPFX-GZMMTYOYSA-N -1 1 379.446 0.522 20 0 GCADMM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825341656 947158150 /nfs/dbraw/zinc/15/81/50/947158150.db2.gz GVKWRNTYGVQWBW-LBPRGKRZSA-N -1 1 380.430 0.715 20 0 GCADMM CCN(CC)C(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825399061 947174269 /nfs/dbraw/zinc/17/42/69/947174269.db2.gz HKVACQZCUXTRHO-LLVKDONJSA-N -1 1 379.446 0.476 20 0 GCADMM CCN(CC)C(=O)[C@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825399061 947174274 /nfs/dbraw/zinc/17/42/74/947174274.db2.gz HKVACQZCUXTRHO-LLVKDONJSA-N -1 1 379.446 0.476 20 0 GCADMM CCNC(=O)COc1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825471196 947197181 /nfs/dbraw/zinc/19/71/81/947197181.db2.gz PIJZCBILHYOMSY-UHFFFAOYSA-N -1 1 385.384 0.859 20 0 GCADMM CCNC(=O)COc1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825471196 947197183 /nfs/dbraw/zinc/19/71/83/947197183.db2.gz PIJZCBILHYOMSY-UHFFFAOYSA-N -1 1 385.384 0.859 20 0 GCADMM CCOC(=O)C1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000825493932 947206690 /nfs/dbraw/zinc/20/66/90/947206690.db2.gz QXYRXHIEQCIVTI-UHFFFAOYSA-N -1 1 396.407 0.923 20 0 GCADMM CCOC(=O)C1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000825493932 947206699 /nfs/dbraw/zinc/20/66/99/947206699.db2.gz QXYRXHIEQCIVTI-UHFFFAOYSA-N -1 1 396.407 0.923 20 0 GCADMM CCOC(=O)N[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)CC(C)C ZINC000825523023 947213579 /nfs/dbraw/zinc/21/35/79/947213579.db2.gz MFTNJLGUGKTCQG-NSHDSACASA-N -1 1 379.421 0.983 20 0 GCADMM CCOC(=O)N[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)CC(C)C ZINC000825523023 947213590 /nfs/dbraw/zinc/21/35/90/947213590.db2.gz MFTNJLGUGKTCQG-NSHDSACASA-N -1 1 379.421 0.983 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NCc2sccc2C)c1-c1nn[n-]n1 ZINC000825565767 947228088 /nfs/dbraw/zinc/22/80/88/947228088.db2.gz YIHNNGSIOWACRO-UHFFFAOYSA-N -1 1 375.414 0.926 20 0 GCADMM C=C/C(C)=C/CC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573316915 947285910 /nfs/dbraw/zinc/28/59/10/947285910.db2.gz JMFKYINOOKTDDD-LFHSGVGBSA-N -1 1 384.444 0.891 20 0 GCADMM C=C/C(C)=C/CC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573316915 947285925 /nfs/dbraw/zinc/28/59/25/947285925.db2.gz JMFKYINOOKTDDD-LFHSGVGBSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573591385 947310457 /nfs/dbraw/zinc/31/04/57/947310457.db2.gz BBJPZFQWNLPHFD-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573591566 947318004 /nfs/dbraw/zinc/31/80/04/947318004.db2.gz DAFUMYMKSIFCLW-NWDGAFQWSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573591566 947318016 /nfs/dbraw/zinc/31/80/16/947318016.db2.gz DAFUMYMKSIFCLW-NWDGAFQWSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573592300 947333067 /nfs/dbraw/zinc/33/30/67/947333067.db2.gz IYPDRSYVIRLHBM-CHWSQXEVSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573592345 947336461 /nfs/dbraw/zinc/33/64/61/947336461.db2.gz JMCJLUVBEXVNPL-RKDXNWHRSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573592345 947336476 /nfs/dbraw/zinc/33/64/76/947336476.db2.gz JMCJLUVBEXVNPL-RKDXNWHRSA-N -1 1 388.354 0.111 20 0 GCADMM CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000825888099 947357237 /nfs/dbraw/zinc/35/72/37/947357237.db2.gz NNQHEYLZQVKNBG-UHFFFAOYSA-N -1 1 378.393 0.340 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001573593305 947368554 /nfs/dbraw/zinc/36/85/54/947368554.db2.gz JSMAYZKMWOSTJA-BXUZGUMPSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001573593305 947368565 /nfs/dbraw/zinc/36/85/65/947368565.db2.gz JSMAYZKMWOSTJA-BXUZGUMPSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573594081 947385488 /nfs/dbraw/zinc/38/54/88/947385488.db2.gz XDPJNARRMKTQIM-NSHDSACASA-N -1 1 385.436 0.406 20 0 GCADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573594081 947385502 /nfs/dbraw/zinc/38/55/02/947385502.db2.gz XDPJNARRMKTQIM-NSHDSACASA-N -1 1 385.436 0.406 20 0 GCADMM CC(C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)=C1CCCC1 ZINC001573594033 947386218 /nfs/dbraw/zinc/38/62/18/947386218.db2.gz WVJLZHYFWBGBRX-AWEZNQCLSA-N -1 1 386.460 0.803 20 0 GCADMM CC(C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)=C1CCCC1 ZINC001573594033 947386232 /nfs/dbraw/zinc/38/62/32/947386232.db2.gz WVJLZHYFWBGBRX-AWEZNQCLSA-N -1 1 386.460 0.803 20 0 GCADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573594080 947387654 /nfs/dbraw/zinc/38/76/54/947387654.db2.gz XDPJNARRMKTQIM-LLVKDONJSA-N -1 1 385.436 0.406 20 0 GCADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573594080 947387667 /nfs/dbraw/zinc/38/76/67/947387667.db2.gz XDPJNARRMKTQIM-LLVKDONJSA-N -1 1 385.436 0.406 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573594227 947389072 /nfs/dbraw/zinc/38/90/72/947389072.db2.gz PBOSLWDBTBRDQG-CMPLNLGQSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573594227 947389086 /nfs/dbraw/zinc/38/90/86/947389086.db2.gz PBOSLWDBTBRDQG-CMPLNLGQSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573594206 947389663 /nfs/dbraw/zinc/38/96/63/947389663.db2.gz OQIWDGHXVGFNPW-WPRPVWTQSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573594450 947394305 /nfs/dbraw/zinc/39/43/05/947394305.db2.gz AZWAVGHVIQYIEW-WDEREUQCSA-N -1 1 388.457 0.175 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573594444 947396112 /nfs/dbraw/zinc/39/61/12/947396112.db2.gz AZWAVGHVIQYIEW-GHMZBOCLSA-N -1 1 388.457 0.175 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573594504 947398948 /nfs/dbraw/zinc/39/89/48/947398948.db2.gz BITBMMYXNOVIAM-ZYHUDNBSSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573594504 947398960 /nfs/dbraw/zinc/39/89/60/947398960.db2.gz BITBMMYXNOVIAM-ZYHUDNBSSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573594655 947402447 /nfs/dbraw/zinc/40/24/47/947402447.db2.gz BWPKBPUKRUGUHH-AAEUAGOBSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573594655 947402453 /nfs/dbraw/zinc/40/24/53/947402453.db2.gz BWPKBPUKRUGUHH-AAEUAGOBSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573597335 947437889 /nfs/dbraw/zinc/43/78/89/947437889.db2.gz NOIOBSUGTBFHIE-MNOVXSKESA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573597335 947437899 /nfs/dbraw/zinc/43/78/99/947437899.db2.gz NOIOBSUGTBFHIE-MNOVXSKESA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573599274 947452425 /nfs/dbraw/zinc/45/24/25/947452425.db2.gz WYQJHCHVJLGBBK-WDEREUQCSA-N -1 1 391.436 0.487 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573599414 947454236 /nfs/dbraw/zinc/45/42/36/947454236.db2.gz XUXLOPJZLQAVER-WCQYABFASA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573599414 947454246 /nfs/dbraw/zinc/45/42/46/947454246.db2.gz XUXLOPJZLQAVER-WCQYABFASA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)n1cncn1 ZINC001573602928 947473466 /nfs/dbraw/zinc/47/34/66/947473466.db2.gz BRJPRZDKIMZKFY-SSDOTTSWSA-N -1 1 382.841 0.700 20 0 GCADMM C[C@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)n1cncn1 ZINC001573602928 947473474 /nfs/dbraw/zinc/47/34/74/947473474.db2.gz BRJPRZDKIMZKFY-SSDOTTSWSA-N -1 1 382.841 0.700 20 0 GCADMM COCC(=O)Nc1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826147846 947474888 /nfs/dbraw/zinc/47/48/88/947474888.db2.gz NTUVUSQYFPBCNK-UHFFFAOYSA-N -1 1 385.384 0.607 20 0 GCADMM COCC(=O)Nc1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826147846 947474898 /nfs/dbraw/zinc/47/48/98/947474898.db2.gz NTUVUSQYFPBCNK-UHFFFAOYSA-N -1 1 385.384 0.607 20 0 GCADMM O=C([O-])C1CCN(S(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000327369048 971392820 /nfs/dbraw/zinc/39/28/20/971392820.db2.gz KWQNWXRXHNTGAC-HNNXBMFYSA-N -1 1 375.491 0.215 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573604700 947515635 /nfs/dbraw/zinc/51/56/35/947515635.db2.gz PVJHGHMAIMKUNR-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573604700 947515642 /nfs/dbraw/zinc/51/56/42/947515642.db2.gz PVJHGHMAIMKUNR-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N1CC(=O)Nc2cc(F)c(F)cc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573606959 947536520 /nfs/dbraw/zinc/53/65/20/947536520.db2.gz BGBBRBWMHIGJGO-LURJTMIESA-N -1 1 375.299 0.283 20 0 GCADMM C[C@H](C(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1)c1cccc(O)c1 ZINC001573613531 947564801 /nfs/dbraw/zinc/56/48/01/947564801.db2.gz BTXQTUSHQKBUNQ-VIFPVBQESA-N -1 1 383.368 0.022 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573613548 947565332 /nfs/dbraw/zinc/56/53/32/947565332.db2.gz CFIHEPCNJNYDJU-MQYQWHSLSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001573613661 947566222 /nfs/dbraw/zinc/56/62/22/947566222.db2.gz GCRLMLAHVYQECJ-GUIRCDHDSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001573613661 947566233 /nfs/dbraw/zinc/56/62/33/947566233.db2.gz GCRLMLAHVYQECJ-GUIRCDHDSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001573613855 947574123 /nfs/dbraw/zinc/57/41/23/947574123.db2.gz JRFVKDWBPBIKLE-GUIRCDHDSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001573613855 947574133 /nfs/dbraw/zinc/57/41/33/947574133.db2.gz JRFVKDWBPBIKLE-GUIRCDHDSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573613896 947574155 /nfs/dbraw/zinc/57/41/55/947574155.db2.gz BJHMXOQPVVLDFB-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573613896 947574174 /nfs/dbraw/zinc/57/41/74/947574174.db2.gz BJHMXOQPVVLDFB-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573614329 947583479 /nfs/dbraw/zinc/58/34/79/947583479.db2.gz LWYZLHQTZSUROS-RKDXNWHRSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573614324 947584143 /nfs/dbraw/zinc/58/41/43/947584143.db2.gz LWYZLHQTZSUROS-DTWKUNHWSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)n1cccn1 ZINC001573614740 947591327 /nfs/dbraw/zinc/59/13/27/947591327.db2.gz OQOLSDYXOOTTTQ-WCQYABFASA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cccn1 ZINC001573614740 947591336 /nfs/dbraw/zinc/59/13/36/947591336.db2.gz OQOLSDYXOOTTTQ-WCQYABFASA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573615592 947605963 /nfs/dbraw/zinc/60/59/63/947605963.db2.gz SWJJAHDTMGLGHH-RWMBFGLXSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573615592 947605972 /nfs/dbraw/zinc/60/59/72/947605972.db2.gz SWJJAHDTMGLGHH-RWMBFGLXSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cncn1 ZINC001573615559 947606298 /nfs/dbraw/zinc/60/62/98/947606298.db2.gz SJCCVFBHOJNFPG-WDEREUQCSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cncn1 ZINC001573615559 947606305 /nfs/dbraw/zinc/60/63/05/947606305.db2.gz SJCCVFBHOJNFPG-WDEREUQCSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573615679 947608534 /nfs/dbraw/zinc/60/85/34/947608534.db2.gz JRIHPNRSXLWFPG-STQMWFEESA-N -1 1 379.428 0.538 20 0 GCADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1-n1cnnn1 ZINC000826209917 947613513 /nfs/dbraw/zinc/61/35/13/947613513.db2.gz WGNHNJKZWPDOQD-UHFFFAOYSA-N -1 1 382.344 0.329 20 0 GCADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1-n1cnnn1 ZINC000826209917 947613519 /nfs/dbraw/zinc/61/35/19/947613519.db2.gz WGNHNJKZWPDOQD-UHFFFAOYSA-N -1 1 382.344 0.329 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)n1cccn1 ZINC001573616460 947623330 /nfs/dbraw/zinc/62/33/30/947623330.db2.gz WKNXFTZJVDCASR-YPMHNXCESA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)n1cccn1 ZINC001573616460 947623337 /nfs/dbraw/zinc/62/33/37/947623337.db2.gz WKNXFTZJVDCASR-YPMHNXCESA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573616978 947632649 /nfs/dbraw/zinc/63/26/49/947632649.db2.gz KJWGPZBUYIIXHJ-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573616978 947632654 /nfs/dbraw/zinc/63/26/54/947632654.db2.gz KJWGPZBUYIIXHJ-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)cc1 ZINC001573354647 947634120 /nfs/dbraw/zinc/63/41/20/947634120.db2.gz GIYSVCIUQPVQOZ-HUUCEWRRSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)cc1 ZINC001573354647 947634124 /nfs/dbraw/zinc/63/41/24/947634124.db2.gz GIYSVCIUQPVQOZ-HUUCEWRRSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573354684 947635719 /nfs/dbraw/zinc/63/57/19/947635719.db2.gz HABOPUNQIGBAED-LJQANCHMSA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1 ZINC001573355826 947643629 /nfs/dbraw/zinc/64/36/29/947643629.db2.gz QIMMYTRXGDRHSI-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1 ZINC001573355826 947643633 /nfs/dbraw/zinc/64/36/33/947643633.db2.gz QIMMYTRXGDRHSI-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573617991 947644850 /nfs/dbraw/zinc/64/48/50/947644850.db2.gz OHCPWISBQGVHGC-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573617991 947644857 /nfs/dbraw/zinc/64/48/57/947644857.db2.gz OHCPWISBQGVHGC-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573355839 947645741 /nfs/dbraw/zinc/64/57/41/947645741.db2.gz QQBKFAHYCMTYLL-LJQANCHMSA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573355839 947645747 /nfs/dbraw/zinc/64/57/47/947645747.db2.gz QQBKFAHYCMTYLL-LJQANCHMSA-N -1 1 392.423 0.671 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573618046 947648845 /nfs/dbraw/zinc/64/88/45/947648845.db2.gz PGNPJYPWAQBPPO-LBPRGKRZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573618046 947648853 /nfs/dbraw/zinc/64/88/53/947648853.db2.gz PGNPJYPWAQBPPO-LBPRGKRZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573618840 947654284 /nfs/dbraw/zinc/65/42/84/947654284.db2.gz SROOYTUMOYSQLL-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573618840 947654294 /nfs/dbraw/zinc/65/42/94/947654294.db2.gz SROOYTUMOYSQLL-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573618812 947655559 /nfs/dbraw/zinc/65/55/59/947655559.db2.gz SHCOIMOGLPVBEJ-SWLSCSKDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573618812 947655570 /nfs/dbraw/zinc/65/55/70/947655570.db2.gz SHCOIMOGLPVBEJ-SWLSCSKDSA-N -1 1 386.460 0.899 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)cc1 ZINC001573358197 947659744 /nfs/dbraw/zinc/65/97/44/947659744.db2.gz CCNPBZFDUADTQJ-HUUCEWRRSA-N -1 1 378.396 0.279 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)cc1 ZINC001573358197 947659753 /nfs/dbraw/zinc/65/97/53/947659753.db2.gz CCNPBZFDUADTQJ-HUUCEWRRSA-N -1 1 378.396 0.279 20 0 GCADMM C[C@@H](C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573625240 947699042 /nfs/dbraw/zinc/69/90/42/947699042.db2.gz OPROOHYNXPRREV-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573625240 947699049 /nfs/dbraw/zinc/69/90/49/947699049.db2.gz OPROOHYNXPRREV-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM CC(=O)C(C)(C)CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573363564 947712776 /nfs/dbraw/zinc/71/27/76/947712776.db2.gz DKVAGLACZDLVOY-UHFFFAOYSA-N -1 1 376.421 0.760 20 0 GCADMM CC(=O)C(C)(C)CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573363564 947712782 /nfs/dbraw/zinc/71/27/82/947712782.db2.gz DKVAGLACZDLVOY-UHFFFAOYSA-N -1 1 376.421 0.760 20 0 GCADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001573627145 947720068 /nfs/dbraw/zinc/72/00/68/947720068.db2.gz ZJHIKCGQCZULEH-NSHDSACASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001573627145 947720074 /nfs/dbraw/zinc/72/00/74/947720074.db2.gz ZJHIKCGQCZULEH-NSHDSACASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573627367 947721727 /nfs/dbraw/zinc/72/17/27/947721727.db2.gz AJKYUBYNKSOHHX-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573627367 947721730 /nfs/dbraw/zinc/72/17/30/947721730.db2.gz AJKYUBYNKSOHHX-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573627520 947726126 /nfs/dbraw/zinc/72/61/26/947726126.db2.gz CYDIQSICOONENC-CHWSQXEVSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573628033 947742494 /nfs/dbraw/zinc/74/24/94/947742494.db2.gz HLNRNSYMOLDCSL-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573628033 947742504 /nfs/dbraw/zinc/74/25/04/947742504.db2.gz HLNRNSYMOLDCSL-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573628032 947742776 /nfs/dbraw/zinc/74/27/76/947742776.db2.gz HLNRNSYMOLDCSL-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573628032 947742784 /nfs/dbraw/zinc/74/27/84/947742784.db2.gz HLNRNSYMOLDCSL-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573367196 947756339 /nfs/dbraw/zinc/75/63/39/947756339.db2.gz AMINVUOLTSZHPZ-OKILXGFUSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573629867 947785899 /nfs/dbraw/zinc/78/58/99/947785899.db2.gz WNXVFCAVOJZWNI-NWDGAFQWSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573629867 947785905 /nfs/dbraw/zinc/78/59/05/947785905.db2.gz WNXVFCAVOJZWNI-NWDGAFQWSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cncn1 ZINC001573629868 947785987 /nfs/dbraw/zinc/78/59/87/947785987.db2.gz WNXVFCAVOJZWNI-VXGBXAGGSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cncn1 ZINC001573629868 947785994 /nfs/dbraw/zinc/78/59/94/947785994.db2.gz WNXVFCAVOJZWNI-VXGBXAGGSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573630009 947786429 /nfs/dbraw/zinc/78/64/29/947786429.db2.gz PZWDUHWWLFZKFF-NXEZZACHSA-N -1 1 384.366 0.928 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573373337 947790051 /nfs/dbraw/zinc/79/00/51/947790051.db2.gz IBWVXHFZCNLLFA-GJZGRUSLSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573373337 947790057 /nfs/dbraw/zinc/79/00/57/947790057.db2.gz IBWVXHFZCNLLFA-GJZGRUSLSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573373150 947791446 /nfs/dbraw/zinc/79/14/46/947791446.db2.gz BCEMODXKZMZUGR-CYBMUJFWSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573373339 947792594 /nfs/dbraw/zinc/79/25/94/947792594.db2.gz IBWVXHFZCNLLFA-HUUCEWRRSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573373339 947792602 /nfs/dbraw/zinc/79/26/02/947792602.db2.gz IBWVXHFZCNLLFA-HUUCEWRRSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573630615 947795683 /nfs/dbraw/zinc/79/56/83/947795683.db2.gz ZUOFRCZFKVWDOA-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573630615 947795688 /nfs/dbraw/zinc/79/56/88/947795688.db2.gz ZUOFRCZFKVWDOA-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573373692 947797002 /nfs/dbraw/zinc/79/70/02/947797002.db2.gz KHIJIAJWUPSMDL-JSGCOSHPSA-N -1 1 386.460 0.734 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573374505 947808803 /nfs/dbraw/zinc/80/88/03/947808803.db2.gz NMTOFERYUHNSCG-KBPBESRZSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573374505 947808809 /nfs/dbraw/zinc/80/88/09/947808809.db2.gz NMTOFERYUHNSCG-KBPBESRZSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573374710 947813827 /nfs/dbraw/zinc/81/38/27/947813827.db2.gz PIQMOBDUMCBXRY-TZMCWYRMSA-N -1 1 386.460 0.877 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001573375006 947813866 /nfs/dbraw/zinc/81/38/66/947813866.db2.gz LPPJOLIRGLXEHG-IHRRRGAJSA-N -1 1 384.444 0.890 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001573375006 947813867 /nfs/dbraw/zinc/81/38/67/947813867.db2.gz LPPJOLIRGLXEHG-IHRRRGAJSA-N -1 1 384.444 0.890 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573375553 947820943 /nfs/dbraw/zinc/82/09/43/947820943.db2.gz OEWMOSQRULTRDQ-IHRRRGAJSA-N -1 1 384.444 0.890 20 0 GCADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573637728 947822186 /nfs/dbraw/zinc/82/21/86/947822186.db2.gz OINJLGJAPMDMRG-OLZOCXBDSA-N -1 1 388.476 0.790 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573375847 947825276 /nfs/dbraw/zinc/82/52/76/947825276.db2.gz QPFDAWFPRGZXHL-STQMWFEESA-N -1 1 384.444 0.677 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375723 947826437 /nfs/dbraw/zinc/82/64/37/947826437.db2.gz UOCUWTJWOJIIJW-UKRRQHHQSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375723 947826445 /nfs/dbraw/zinc/82/64/45/947826445.db2.gz UOCUWTJWOJIIJW-UKRRQHHQSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573376047 947828811 /nfs/dbraw/zinc/82/88/11/947828811.db2.gz VVHRWORHUPSOFR-GOSISDBHSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573376047 947828821 /nfs/dbraw/zinc/82/88/21/947828821.db2.gz VVHRWORHUPSOFR-GOSISDBHSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573376077 947830518 /nfs/dbraw/zinc/83/05/18/947830518.db2.gz VZSNEKFIKSRYBG-UONOGXRCSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573376077 947830528 /nfs/dbraw/zinc/83/05/28/947830528.db2.gz VZSNEKFIKSRYBG-UONOGXRCSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376410 947836202 /nfs/dbraw/zinc/83/62/02/947836202.db2.gz ZTKVTDVXLZZLLJ-ZIAGYGMSSA-N -1 1 384.444 0.843 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1-c1nnn[n-]1 ZINC000826289867 947841123 /nfs/dbraw/zinc/84/11/23/947841123.db2.gz PTQLVDVPJUSAEC-ZDUSSCGKSA-N -1 1 381.396 0.936 20 0 GCADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1-c1nn[n-]n1 ZINC000826289867 947841129 /nfs/dbraw/zinc/84/11/29/947841129.db2.gz PTQLVDVPJUSAEC-ZDUSSCGKSA-N -1 1 381.396 0.936 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573377599 947850867 /nfs/dbraw/zinc/85/08/67/947850867.db2.gz OYPCURYLNSUHOU-ZDUSSCGKSA-N -1 1 388.432 0.445 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573377599 947850873 /nfs/dbraw/zinc/85/08/73/947850873.db2.gz OYPCURYLNSUHOU-ZDUSSCGKSA-N -1 1 388.432 0.445 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573377710 947850891 /nfs/dbraw/zinc/85/08/91/947850891.db2.gz QZMKMUHQZMFCMY-GXTWGEPZSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573377710 947850898 /nfs/dbraw/zinc/85/08/98/947850898.db2.gz QZMKMUHQZMFCMY-GXTWGEPZSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573377714 947851049 /nfs/dbraw/zinc/85/10/49/947851049.db2.gz RBAJPNYTIFLHEE-TZMCWYRMSA-N -1 1 386.460 0.734 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573378118 947854161 /nfs/dbraw/zinc/85/41/61/947854161.db2.gz WFXPZYLAEWLJDN-CYBMUJFWSA-N -1 1 388.432 0.445 20 0 GCADMM CC(=O)CCCC(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573378118 947854164 /nfs/dbraw/zinc/85/41/64/947854164.db2.gz WFXPZYLAEWLJDN-CYBMUJFWSA-N -1 1 388.432 0.445 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573380291 947856883 /nfs/dbraw/zinc/85/68/83/947856883.db2.gz AHTUULNXESCDGY-QMMMGPOBSA-N -1 1 387.853 0.625 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573380291 947856894 /nfs/dbraw/zinc/85/68/94/947856894.db2.gz AHTUULNXESCDGY-QMMMGPOBSA-N -1 1 387.853 0.625 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573641755 947859131 /nfs/dbraw/zinc/85/91/31/947859131.db2.gz NDXGAVGKWSMVEE-NWDGAFQWSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573641755 947859141 /nfs/dbraw/zinc/85/91/41/947859141.db2.gz NDXGAVGKWSMVEE-NWDGAFQWSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573642316 947860640 /nfs/dbraw/zinc/86/06/40/947860640.db2.gz PWZBQFWVXFHRHY-STQMWFEESA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573642316 947860652 /nfs/dbraw/zinc/86/06/52/947860652.db2.gz PWZBQFWVXFHRHY-STQMWFEESA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573643512 947865920 /nfs/dbraw/zinc/86/59/20/947865920.db2.gz URNHEWDULBHKIQ-BDAKNGLRSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573643512 947865935 /nfs/dbraw/zinc/86/59/35/947865935.db2.gz URNHEWDULBHKIQ-BDAKNGLRSA-N -1 1 386.338 0.494 20 0 GCADMM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001573381115 947868447 /nfs/dbraw/zinc/86/84/47/947868447.db2.gz OCVFJCGYYMGNJN-QGZVFWFLSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573381370 947872194 /nfs/dbraw/zinc/87/21/94/947872194.db2.gz UJRDGHKHANVZFK-MRVPVSSYSA-N -1 1 387.853 0.625 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573381370 947872200 /nfs/dbraw/zinc/87/22/00/947872200.db2.gz UJRDGHKHANVZFK-MRVPVSSYSA-N -1 1 387.853 0.625 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(F)F ZINC001573646195 947873435 /nfs/dbraw/zinc/87/34/35/947873435.db2.gz GONYGMZIOSNXOH-OUAUKWLOSA-N -1 1 378.387 0.985 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccn1 ZINC001573646242 947873673 /nfs/dbraw/zinc/87/36/73/947873673.db2.gz ISUBZZPBUVHMKK-FRRDWIJNSA-N -1 1 380.416 0.152 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573647218 947886310 /nfs/dbraw/zinc/88/63/10/947886310.db2.gz FAFSGVRNLSUFKL-MBNYWOFBSA-N -1 1 379.428 0.536 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001573383445 947889629 /nfs/dbraw/zinc/88/96/29/947889629.db2.gz QTYUUBPWFPIYHM-CYBMUJFWSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001573383445 947889636 /nfs/dbraw/zinc/88/96/36/947889636.db2.gz QTYUUBPWFPIYHM-CYBMUJFWSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)N1CCC(NC(=O)CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)CC1 ZINC001602744017 971438912 /nfs/dbraw/zinc/43/89/12/971438912.db2.gz CZWLFJNSPTXRIA-LSDHHAIUSA-N -1 1 391.472 0.037 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)n1cccn1 ZINC001573647406 947892696 /nfs/dbraw/zinc/89/26/96/947892696.db2.gz KFJUMHCWNIYDPK-UPJWGTAASA-N -1 1 380.416 0.009 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)n1cccn1 ZINC001573647406 947892703 /nfs/dbraw/zinc/89/27/03/947892703.db2.gz KFJUMHCWNIYDPK-UPJWGTAASA-N -1 1 380.416 0.009 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C(F)(F)F ZINC001573647720 947901156 /nfs/dbraw/zinc/90/11/56/947901156.db2.gz SIZYYIFXNDLYFN-BBBLOLIVSA-N -1 1 382.350 0.750 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C(F)(F)F ZINC001573647720 947901163 /nfs/dbraw/zinc/90/11/63/947901163.db2.gz SIZYYIFXNDLYFN-BBBLOLIVSA-N -1 1 382.350 0.750 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001573384430 947902048 /nfs/dbraw/zinc/90/20/48/947902048.db2.gz MYOCHYGPMUOZRM-OLZOCXBDSA-N -1 1 378.458 0.349 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573387476 947911444 /nfs/dbraw/zinc/91/14/44/947911444.db2.gz BBPONNMPQLIFDS-CQSZACIVSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573387476 947911452 /nfs/dbraw/zinc/91/14/52/947911452.db2.gz BBPONNMPQLIFDS-CQSZACIVSA-N -1 1 387.448 0.092 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(C)(F)F ZINC001573651225 947919253 /nfs/dbraw/zinc/91/92/53/947919253.db2.gz KHSDKIBHTOJTPA-GARJFASQSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(C)(F)F ZINC001573651225 947919258 /nfs/dbraw/zinc/91/92/58/947919258.db2.gz KHSDKIBHTOJTPA-GARJFASQSA-N -1 1 378.387 0.843 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573388593 947919362 /nfs/dbraw/zinc/91/93/62/947919362.db2.gz MCRLRBNIYZRDSU-ZDUSSCGKSA-N -1 1 389.464 0.420 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573388593 947919364 /nfs/dbraw/zinc/91/93/64/947919364.db2.gz MCRLRBNIYZRDSU-ZDUSSCGKSA-N -1 1 389.464 0.420 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573389578 947926231 /nfs/dbraw/zinc/92/62/31/947926231.db2.gz TWYHHRSRSZTOFG-ZETCQYMHSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573389578 947926236 /nfs/dbraw/zinc/92/62/36/947926236.db2.gz TWYHHRSRSZTOFG-ZETCQYMHSA-N -1 1 386.869 0.714 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)n1cccn1 ZINC001573652013 947928302 /nfs/dbraw/zinc/92/83/02/947928302.db2.gz UJAKOXNPKKPNCK-UPJWGTAASA-N -1 1 380.416 0.009 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)n1cccn1 ZINC001573652013 947928307 /nfs/dbraw/zinc/92/83/07/947928307.db2.gz UJAKOXNPKKPNCK-UPJWGTAASA-N -1 1 380.416 0.009 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001573652131 947928930 /nfs/dbraw/zinc/92/89/30/947928930.db2.gz BFFALVLIGZTEPV-PIGZYNQJSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001573652131 947928933 /nfs/dbraw/zinc/92/89/33/947928933.db2.gz BFFALVLIGZTEPV-PIGZYNQJSA-N -1 1 382.432 0.811 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573392226 947944496 /nfs/dbraw/zinc/94/44/96/947944496.db2.gz XRTITYBIUULEGW-LBPRGKRZSA-N -1 1 392.489 0.537 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cncn1 ZINC001573652690 947944793 /nfs/dbraw/zinc/94/47/93/947944793.db2.gz GMLUBIIYGJJOOC-QFYYESIMSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cncn1 ZINC001573652690 947944801 /nfs/dbraw/zinc/94/48/01/947944801.db2.gz GMLUBIIYGJJOOC-QFYYESIMSA-N -1 1 383.420 0.206 20 0 GCADMM Cc1nc(CN(C)[C@@H]2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)no1 ZINC000826325702 947949671 /nfs/dbraw/zinc/94/96/71/947949671.db2.gz ITNANSBIJLELGA-LLVKDONJSA-N -1 1 387.404 0.130 20 0 GCADMM Cc1nc(CN(C)[C@@H]2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)no1 ZINC000826325702 947949679 /nfs/dbraw/zinc/94/96/79/947949679.db2.gz ITNANSBIJLELGA-LLVKDONJSA-N -1 1 387.404 0.130 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573392699 947950423 /nfs/dbraw/zinc/95/04/23/947950423.db2.gz FICQJTLDCCNJJL-CYBMUJFWSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573392699 947950430 /nfs/dbraw/zinc/95/04/30/947950430.db2.gz FICQJTLDCCNJJL-CYBMUJFWSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573392893 947952423 /nfs/dbraw/zinc/95/24/23/947952423.db2.gz HNKWRFMVPATHEK-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573392893 947952429 /nfs/dbraw/zinc/95/24/29/947952429.db2.gz HNKWRFMVPATHEK-WCQYABFASA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573392841 947952553 /nfs/dbraw/zinc/95/25/53/947952553.db2.gz GJOGDCRSSMDEDD-CYBMUJFWSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573392841 947952562 /nfs/dbraw/zinc/95/25/62/947952562.db2.gz GJOGDCRSSMDEDD-CYBMUJFWSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573392846 947953153 /nfs/dbraw/zinc/95/31/53/947953153.db2.gz GJXDJJQYMWRKEF-SMDDNHRTSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573392846 947953158 /nfs/dbraw/zinc/95/31/58/947953158.db2.gz GJXDJJQYMWRKEF-SMDDNHRTSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573392894 947953238 /nfs/dbraw/zinc/95/32/38/947953238.db2.gz HNKWRFMVPATHEK-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573392894 947953243 /nfs/dbraw/zinc/95/32/43/947953243.db2.gz HNKWRFMVPATHEK-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573393648 947959252 /nfs/dbraw/zinc/95/92/52/947959252.db2.gz OSBKGNROHFBAQW-BXKDBHETSA-N -1 1 392.489 0.901 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393960 947960224 /nfs/dbraw/zinc/96/02/24/947960224.db2.gz RGEFGCMXYWOTHL-SKDRFNHKSA-N -1 1 392.489 0.759 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393751 947960530 /nfs/dbraw/zinc/96/05/30/947960530.db2.gz PTRUMLLZPXHLOR-LBPRGKRZSA-N -1 1 392.489 0.760 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573653922 947962170 /nfs/dbraw/zinc/96/21/70/947962170.db2.gz OAHPPBWMYWPQOI-QFYYESIMSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573653922 947962191 /nfs/dbraw/zinc/96/21/91/947962191.db2.gz OAHPPBWMYWPQOI-QFYYESIMSA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573394020 947962524 /nfs/dbraw/zinc/96/25/24/947962524.db2.gz RQNBZNJQJRFNBT-UHFFFAOYSA-N -1 1 378.462 0.513 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cncn1 ZINC001573654230 947964276 /nfs/dbraw/zinc/96/42/76/947964276.db2.gz PTRKWIYESHQCEO-QFYYESIMSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573654230 947964281 /nfs/dbraw/zinc/96/42/81/947964281.db2.gz PTRKWIYESHQCEO-QFYYESIMSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573654656 947967349 /nfs/dbraw/zinc/96/73/49/947967349.db2.gz SESGCTKQBQYEIO-XLKFXECMSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)n1cncn1 ZINC001573654651 947969076 /nfs/dbraw/zinc/96/90/76/947969076.db2.gz SDLBRQHHHZXJOE-PWSUYJOCSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)n1cncn1 ZINC001573654651 947969086 /nfs/dbraw/zinc/96/90/86/947969086.db2.gz SDLBRQHHHZXJOE-PWSUYJOCSA-N -1 1 385.436 0.452 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573395636 947970041 /nfs/dbraw/zinc/97/00/41/947970041.db2.gz ZMXYOLDJOFPOII-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573395636 947970048 /nfs/dbraw/zinc/97/00/48/947970048.db2.gz ZMXYOLDJOFPOII-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CO)Cc1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573654850 947971814 /nfs/dbraw/zinc/97/18/14/947971814.db2.gz UAUXVZTUDBTJBB-QLJPJBMISA-N -1 1 390.835 0.783 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)CC(C)C ZINC001573398303 947979932 /nfs/dbraw/zinc/97/99/32/947979932.db2.gz JBBWATAZUWDBNR-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)CC(C)C ZINC001573398303 947979938 /nfs/dbraw/zinc/97/99/38/947979938.db2.gz JBBWATAZUWDBNR-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573398368 947980358 /nfs/dbraw/zinc/98/03/58/947980358.db2.gz KIESSFVBCVMCHO-NSHDSACASA-N -1 1 378.462 0.417 20 0 GCADMM CC(=O)N(C)CC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573398356 947980975 /nfs/dbraw/zinc/98/09/75/947980975.db2.gz KHPCAOCVYBCICN-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573398356 947980981 /nfs/dbraw/zinc/98/09/81/947980981.db2.gz KHPCAOCVYBCICN-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM Cc1onc(CC(=O)N(C)Cc2cnn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826343302 947988983 /nfs/dbraw/zinc/98/89/83/947988983.db2.gz VBJYLSUWRMHUBP-UHFFFAOYSA-N -1 1 379.384 0.945 20 0 GCADMM Cc1onc(CC(=O)N(C)Cc2cnn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826343302 947988992 /nfs/dbraw/zinc/98/89/92/947988992.db2.gz VBJYLSUWRMHUBP-UHFFFAOYSA-N -1 1 379.384 0.945 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573656809 947991689 /nfs/dbraw/zinc/99/16/89/947991689.db2.gz IJBKMQTYDAFJEW-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573656825 947994390 /nfs/dbraw/zinc/99/43/90/947994390.db2.gz IKVALIRKIPNLGV-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573656825 947994396 /nfs/dbraw/zinc/99/43/96/947994396.db2.gz IKVALIRKIPNLGV-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1-c1nnn[n-]1 ZINC000826344088 947999677 /nfs/dbraw/zinc/99/96/77/947999677.db2.gz WYOXDBSGJIFEGJ-ZDUSSCGKSA-N -1 1 376.417 0.892 20 0 GCADMM Cc1onc(CC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC000826344088 947999685 /nfs/dbraw/zinc/99/96/85/947999685.db2.gz WYOXDBSGJIFEGJ-ZDUSSCGKSA-N -1 1 376.417 0.892 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1-c1nnn[n-]1 ZINC000826344462 948006124 /nfs/dbraw/zinc/00/61/24/948006124.db2.gz ITVIGOITLZCNJW-GFCCVEGCSA-N -1 1 375.433 0.716 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1-c1nn[n-]n1 ZINC000826344462 948006134 /nfs/dbraw/zinc/00/61/34/948006134.db2.gz ITVIGOITLZCNJW-GFCCVEGCSA-N -1 1 375.433 0.716 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573658645 948008905 /nfs/dbraw/zinc/00/89/05/948008905.db2.gz SPIKWNWABKIQMD-PIGZYNQJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573658645 948008910 /nfs/dbraw/zinc/00/89/10/948008910.db2.gz SPIKWNWABKIQMD-PIGZYNQJSA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826344608 948011543 /nfs/dbraw/zinc/01/15/43/948011543.db2.gz MLPHCJFVEIXYBI-UHFFFAOYSA-N -1 1 388.432 0.456 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826344608 948011551 /nfs/dbraw/zinc/01/15/51/948011551.db2.gz MLPHCJFVEIXYBI-UHFFFAOYSA-N -1 1 388.432 0.456 20 0 GCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826344897 948017298 /nfs/dbraw/zinc/01/72/98/948017298.db2.gz WARCNNBUHOFWSN-CYBMUJFWSA-N -1 1 375.433 0.419 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573660278 948020762 /nfs/dbraw/zinc/02/07/62/948020762.db2.gz ZDNOTGLWGTUWCG-KZULUSFZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573660278 948020772 /nfs/dbraw/zinc/02/07/72/948020772.db2.gz ZDNOTGLWGTUWCG-KZULUSFZSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N(C)CC(=O)NCCCN(c1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573404418 948023918 /nfs/dbraw/zinc/02/39/18/948023918.db2.gz DKCYYUWLEZGJJO-UHFFFAOYSA-N -1 1 392.489 0.585 20 0 GCADMM Cc1onc(CC(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345352 948023987 /nfs/dbraw/zinc/02/39/87/948023987.db2.gz JTLHAPQLDWOEJC-MRXNPFEDSA-N -1 1 397.439 0.895 20 0 GCADMM Cc1onc(CC(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345352 948023994 /nfs/dbraw/zinc/02/39/94/948023994.db2.gz JTLHAPQLDWOEJC-MRXNPFEDSA-N -1 1 397.439 0.895 20 0 GCADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826345410 948024599 /nfs/dbraw/zinc/02/45/99/948024599.db2.gz KOXZFDLMUNDTGC-MRVPVSSYSA-N -1 1 391.413 0.230 20 0 GCADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826345410 948024609 /nfs/dbraw/zinc/02/46/09/948024609.db2.gz KOXZFDLMUNDTGC-MRVPVSSYSA-N -1 1 391.413 0.230 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c1-c1nnn[n-]1 ZINC000826345457 948025259 /nfs/dbraw/zinc/02/52/59/948025259.db2.gz LFMRTYIBAWFQJS-LLVKDONJSA-N -1 1 377.430 0.133 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c1-c1nn[n-]n1 ZINC000826345457 948025268 /nfs/dbraw/zinc/02/52/68/948025268.db2.gz LFMRTYIBAWFQJS-LLVKDONJSA-N -1 1 377.430 0.133 20 0 GCADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cccn1 ZINC001573662312 948025404 /nfs/dbraw/zinc/02/54/04/948025404.db2.gz BGZHTDFHTWBPPD-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cccn1 ZINC001573662312 948025413 /nfs/dbraw/zinc/02/54/13/948025413.db2.gz BGZHTDFHTWBPPD-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404531 948027329 /nfs/dbraw/zinc/02/73/29/948027329.db2.gz UGSNLGHFINMYFM-NWDGAFQWSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573404679 948031638 /nfs/dbraw/zinc/03/16/38/948031638.db2.gz JJYYWAQTFMXWPS-CYBMUJFWSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573404679 948031648 /nfs/dbraw/zinc/03/16/48/948031648.db2.gz JJYYWAQTFMXWPS-CYBMUJFWSA-N -1 1 387.448 0.000 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)c1-c1nnn[n-]1 ZINC000826345988 948032462 /nfs/dbraw/zinc/03/24/62/948032462.db2.gz ZPJNJGWKQOEAEN-JOYOIKCWSA-N -1 1 393.473 0.768 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000826345988 948032470 /nfs/dbraw/zinc/03/24/70/948032470.db2.gz ZPJNJGWKQOEAEN-JOYOIKCWSA-N -1 1 393.473 0.768 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404819 948034139 /nfs/dbraw/zinc/03/41/39/948034139.db2.gz WRJOLRLVYFTWTD-LLVKDONJSA-N -1 1 378.462 0.195 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573663327 948034108 /nfs/dbraw/zinc/03/41/08/948034108.db2.gz LKPODGHGPLUDLS-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573405705 948046378 /nfs/dbraw/zinc/04/63/78/948046378.db2.gz USZCMYMSJODQJI-SSDOTTSWSA-N -1 1 386.869 0.762 20 0 GCADMM Cc1onc(CC(=O)NCCCNC(=O)c2cccc(O)c2)c1-c1nnn[n-]1 ZINC000826347216 948050745 /nfs/dbraw/zinc/05/07/45/948050745.db2.gz IXMNYKSPMJTIHQ-UHFFFAOYSA-N -1 1 385.384 0.348 20 0 GCADMM Cc1onc(CC(=O)NCCCNC(=O)c2cccc(O)c2)c1-c1nn[n-]n1 ZINC000826347216 948050756 /nfs/dbraw/zinc/05/07/56/948050756.db2.gz IXMNYKSPMJTIHQ-UHFFFAOYSA-N -1 1 385.384 0.348 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573406522 948052689 /nfs/dbraw/zinc/05/26/89/948052689.db2.gz IVAGKCPUFMYEDO-JOCQHMNTSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573406522 948052692 /nfs/dbraw/zinc/05/26/92/948052692.db2.gz IVAGKCPUFMYEDO-JOCQHMNTSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573664387 948053145 /nfs/dbraw/zinc/05/31/45/948053145.db2.gz UYTAMHJGKIBRKJ-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573664387 948053154 /nfs/dbraw/zinc/05/31/54/948053154.db2.gz UYTAMHJGKIBRKJ-SGTLLEGYSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573406539 948053375 /nfs/dbraw/zinc/05/33/75/948053375.db2.gz JXJWISLWGBDFKL-KOLCDFICSA-N -1 1 378.462 0.193 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573406558 948053547 /nfs/dbraw/zinc/05/35/47/948053547.db2.gz KPUVQJSFAHUYSA-QWHCGFSZSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573406558 948053557 /nfs/dbraw/zinc/05/35/57/948053557.db2.gz KPUVQJSFAHUYSA-QWHCGFSZSA-N -1 1 387.448 0.140 20 0 GCADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573664356 948053791 /nfs/dbraw/zinc/05/37/91/948053791.db2.gz UIFLGBCPDYKBJB-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573664356 948053798 /nfs/dbraw/zinc/05/37/98/948053798.db2.gz UIFLGBCPDYKBJB-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM Cc1onc(CC(=O)NCCCNC(=O)c2cccs2)c1-c1nnn[n-]1 ZINC000826347508 948056475 /nfs/dbraw/zinc/05/64/75/948056475.db2.gz UARSOVGLOQASJG-UHFFFAOYSA-N -1 1 375.414 0.703 20 0 GCADMM Cc1onc(CC(=O)NCCCNC(=O)c2cccs2)c1-c1nn[n-]n1 ZINC000826347508 948056483 /nfs/dbraw/zinc/05/64/83/948056483.db2.gz UARSOVGLOQASJG-UHFFFAOYSA-N -1 1 375.414 0.703 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573406765 948057183 /nfs/dbraw/zinc/05/71/83/948057183.db2.gz ROPWTWZNGRXPKX-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573406765 948057187 /nfs/dbraw/zinc/05/71/87/948057187.db2.gz ROPWTWZNGRXPKX-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](C(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573664676 948057413 /nfs/dbraw/zinc/05/74/13/948057413.db2.gz WRUWZTSOYUESCN-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573664676 948057417 /nfs/dbraw/zinc/05/74/17/948057417.db2.gz WRUWZTSOYUESCN-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573406803 948058780 /nfs/dbraw/zinc/05/87/80/948058780.db2.gz UVJKBJQWCWFAAB-CYBMUJFWSA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573406803 948058786 /nfs/dbraw/zinc/05/87/86/948058786.db2.gz UVJKBJQWCWFAAB-CYBMUJFWSA-N -1 1 389.464 0.386 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(NS(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826348124 948065072 /nfs/dbraw/zinc/06/50/72/948065072.db2.gz VQPUCAJFIVXXED-UHFFFAOYSA-N -1 1 391.413 0.394 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc(NS(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826348124 948065078 /nfs/dbraw/zinc/06/50/78/948065078.db2.gz VQPUCAJFIVXXED-UHFFFAOYSA-N -1 1 391.413 0.394 20 0 GCADMM C[C@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573665582 948074107 /nfs/dbraw/zinc/07/41/07/948074107.db2.gz MAWJBRCBOINJGH-IYXRBSQSSA-N -1 1 381.444 0.981 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573666477 948086386 /nfs/dbraw/zinc/08/63/86/948086386.db2.gz TYUWXORATLBPPF-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM Cc1onc(CC(=O)Nc2nc(CN3CCOCC3)cs2)c1-c1nnn[n-]1 ZINC000826349088 948087100 /nfs/dbraw/zinc/08/71/00/948087100.db2.gz SRJRZPZGQKRCKM-UHFFFAOYSA-N -1 1 390.429 0.633 20 0 GCADMM Cc1onc(CC(=O)Nc2nc(CN3CCOCC3)cs2)c1-c1nn[n-]n1 ZINC000826349088 948087108 /nfs/dbraw/zinc/08/71/08/948087108.db2.gz SRJRZPZGQKRCKM-UHFFFAOYSA-N -1 1 390.429 0.633 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573666474 948087568 /nfs/dbraw/zinc/08/75/68/948087568.db2.gz TYUWXORATLBPPF-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cccnc1 ZINC001573672770 948111999 /nfs/dbraw/zinc/11/19/99/948111999.db2.gz JDNRNCIEROKNIE-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cccnc1 ZINC001573672770 948112003 /nfs/dbraw/zinc/11/20/03/948112003.db2.gz JDNRNCIEROKNIE-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)CCNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573415579 948112548 /nfs/dbraw/zinc/11/25/48/948112548.db2.gz YKHPMPALQXTHNP-UHFFFAOYSA-N -1 1 384.853 0.325 20 0 GCADMM CC(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)=C1CCCC1 ZINC001573676199 948125104 /nfs/dbraw/zinc/12/51/04/948125104.db2.gz SKMYEUKMGFIYCO-ZFWWWQNUSA-N -1 1 384.444 0.603 20 0 GCADMM CC(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)=C1CCCC1 ZINC001573676199 948125107 /nfs/dbraw/zinc/12/51/07/948125107.db2.gz SKMYEUKMGFIYCO-ZFWWWQNUSA-N -1 1 384.444 0.603 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)CC(C)C)C1 ZINC001573419732 948126770 /nfs/dbraw/zinc/12/67/70/948126770.db2.gz QLITUHBYTPQZPP-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)CC(C)C)C1 ZINC001573419732 948126779 /nfs/dbraw/zinc/12/67/79/948126779.db2.gz QLITUHBYTPQZPP-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC(C)C)C1 ZINC001573419733 948127574 /nfs/dbraw/zinc/12/75/74/948127574.db2.gz QLITUHBYTPQZPP-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC(C)C)C1 ZINC001573419733 948127582 /nfs/dbraw/zinc/12/75/82/948127582.db2.gz QLITUHBYTPQZPP-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM Cn1cc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nn1 ZINC000826361374 948131770 /nfs/dbraw/zinc/13/17/70/948131770.db2.gz VGJQFADIDBTOIR-UHFFFAOYSA-N -1 1 383.351 0.642 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573422209 948140450 /nfs/dbraw/zinc/14/04/50/948140450.db2.gz IQCZEGMVFMTDPF-KLPPZKSPSA-N -1 1 390.473 0.417 20 0 GCADMM C[C@@H](C(=O)NCC(=O)c1ccc(Cl)cc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573677777 948142020 /nfs/dbraw/zinc/14/20/20/948142020.db2.gz DXMQMMWYROHLKT-ZETCQYMHSA-N -1 1 378.755 0.811 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cccn1 ZINC001573678684 948153234 /nfs/dbraw/zinc/15/32/34/948153234.db2.gz HUGDVJWDLDFQSR-DGCLKSJQSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cccn1 ZINC001573678684 948153241 /nfs/dbraw/zinc/15/32/41/948153241.db2.gz HUGDVJWDLDFQSR-DGCLKSJQSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001573678987 948156456 /nfs/dbraw/zinc/15/64/56/948156456.db2.gz HDFZGNPNGKHRQI-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001573678987 948156468 /nfs/dbraw/zinc/15/64/68/948156468.db2.gz HDFZGNPNGKHRQI-MFKMUULPSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)n1cccn1 ZINC001573679640 948164038 /nfs/dbraw/zinc/16/40/38/948164038.db2.gz MKIUZLQREZTLLR-WCQYABFASA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)n1cccn1 ZINC001573679640 948164042 /nfs/dbraw/zinc/16/40/42/948164042.db2.gz MKIUZLQREZTLLR-WCQYABFASA-N -1 1 382.432 0.445 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573429402 948171252 /nfs/dbraw/zinc/17/12/52/948171252.db2.gz IJHXIDBTLKRKBN-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573429402 948171256 /nfs/dbraw/zinc/17/12/56/948171256.db2.gz IJHXIDBTLKRKBN-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573431020 948179231 /nfs/dbraw/zinc/17/92/31/948179231.db2.gz UIWQIZLYTQWBTO-LLVKDONJSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573431020 948179239 /nfs/dbraw/zinc/17/92/39/948179239.db2.gz UIWQIZLYTQWBTO-LLVKDONJSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573431019 948179410 /nfs/dbraw/zinc/17/94/10/948179410.db2.gz UICKUEYKNKWPBJ-NSHDSACASA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573431019 948179413 /nfs/dbraw/zinc/17/94/13/948179413.db2.gz UICKUEYKNKWPBJ-NSHDSACASA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573431736 948182891 /nfs/dbraw/zinc/18/28/91/948182891.db2.gz ZXXGMHVAEVBOSL-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573431736 948182896 /nfs/dbraw/zinc/18/28/96/948182896.db2.gz ZXXGMHVAEVBOSL-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573681202 948197593 /nfs/dbraw/zinc/19/75/93/948197593.db2.gz SSXASBIWENJSGF-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573681202 948197601 /nfs/dbraw/zinc/19/76/01/948197601.db2.gz SSXASBIWENJSGF-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573681384 948200503 /nfs/dbraw/zinc/20/05/03/948200503.db2.gz VESUNGVANIPMLD-YPMHNXCESA-N -1 1 384.448 0.169 20 0 GCADMM C[C@@H](C(=O)NCC(=O)N1CCCCc2ccccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573681352 948200758 /nfs/dbraw/zinc/20/07/58/948200758.db2.gz WGWAINCRQRAYJB-LBPRGKRZSA-N -1 1 395.427 0.505 20 0 GCADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cnn(C)c1 ZINC001573681396 948203351 /nfs/dbraw/zinc/20/33/51/948203351.db2.gz VGPJQYGUQHWINX-GXFFZTMASA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cnn(C)c1 ZINC001573681396 948203359 /nfs/dbraw/zinc/20/33/59/948203359.db2.gz VGPJQYGUQHWINX-GXFFZTMASA-N -1 1 382.432 0.501 20 0 GCADMM O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826398507 948212929 /nfs/dbraw/zinc/21/29/29/948212929.db2.gz YBVBTRWXPKUVOZ-YRGRVCCFSA-N -1 1 385.428 0.806 20 0 GCADMM O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826398506 948213611 /nfs/dbraw/zinc/21/36/11/948213611.db2.gz YBVBTRWXPKUVOZ-SCRDCRAPSA-N -1 1 385.428 0.806 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573434705 948216580 /nfs/dbraw/zinc/21/65/80/948216580.db2.gz SKBKTHBGODTXDT-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434705 948216591 /nfs/dbraw/zinc/21/65/91/948216591.db2.gz SKBKTHBGODTXDT-APPDUMDISA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573434707 948217536 /nfs/dbraw/zinc/21/75/36/948217536.db2.gz SKBKTHBGODTXDT-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434707 948217544 /nfs/dbraw/zinc/21/75/44/948217544.db2.gz SKBKTHBGODTXDT-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573434956 948221193 /nfs/dbraw/zinc/22/11/93/948221193.db2.gz TZPMIJPECQPMMA-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434956 948221201 /nfs/dbraw/zinc/22/12/01/948221201.db2.gz TZPMIJPECQPMMA-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1cnn(C)c1 ZINC001573691161 948237506 /nfs/dbraw/zinc/23/75/06/948237506.db2.gz DFZNYJPPFOQFJO-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1cnn(C)c1 ZINC001573691161 948237515 /nfs/dbraw/zinc/23/75/15/948237515.db2.gz DFZNYJPPFOQFJO-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573439255 948243476 /nfs/dbraw/zinc/24/34/76/948243476.db2.gz KGKOJVKLIJJDCS-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573439255 948243487 /nfs/dbraw/zinc/24/34/87/948243487.db2.gz KGKOJVKLIJJDCS-AAEUAGOBSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573439715 948248293 /nfs/dbraw/zinc/24/82/93/948248293.db2.gz QBHCLVIDXRNRFD-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573439715 948248303 /nfs/dbraw/zinc/24/83/03/948248303.db2.gz QBHCLVIDXRNRFD-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439740 948252272 /nfs/dbraw/zinc/25/22/72/948252272.db2.gz QTDSENUHNFJQMR-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439740 948252281 /nfs/dbraw/zinc/25/22/81/948252281.db2.gz QTDSENUHNFJQMR-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573692059 948253838 /nfs/dbraw/zinc/25/38/38/948253838.db2.gz MHIYJIXLIOENGI-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573692059 948253847 /nfs/dbraw/zinc/25/38/47/948253847.db2.gz MHIYJIXLIOENGI-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573439796 948253824 /nfs/dbraw/zinc/25/38/24/948253824.db2.gz SIQMCGZCSHCIBD-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573439796 948253834 /nfs/dbraw/zinc/25/38/34/948253834.db2.gz SIQMCGZCSHCIBD-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c2ccccc21 ZINC001573439976 948258904 /nfs/dbraw/zinc/25/89/04/948258904.db2.gz XQOFMUTYLHDBFQ-NSHDSACASA-N -1 1 382.384 0.576 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1)C(C)(C)C ZINC001573692416 948263963 /nfs/dbraw/zinc/26/39/63/948263963.db2.gz PLZYEAOIOPLZOT-GFCCVEGCSA-N -1 1 388.476 0.838 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826424817 948271519 /nfs/dbraw/zinc/27/15/19/948271519.db2.gz DYHXKUJGZXUGMW-SECBINFHSA-N -1 1 396.337 0.537 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826424863 948272069 /nfs/dbraw/zinc/27/20/69/948272069.db2.gz GZOBFHPIOYPOLO-CABZTGNLSA-N -1 1 376.327 0.071 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cccn1 ZINC001573692833 948272372 /nfs/dbraw/zinc/27/23/72/948272372.db2.gz SEUQXYMPNBNVJS-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cccn1 ZINC001573692833 948272383 /nfs/dbraw/zinc/27/23/83/948272383.db2.gz SEUQXYMPNBNVJS-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573692953 948275467 /nfs/dbraw/zinc/27/54/67/948275467.db2.gz RCTFJUUUCJMLBW-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573692953 948275473 /nfs/dbraw/zinc/27/54/73/948275473.db2.gz RCTFJUUUCJMLBW-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573442272 948288162 /nfs/dbraw/zinc/28/81/62/948288162.db2.gz UWOFCCOKAAKALE-LBPRGKRZSA-N -1 1 392.489 0.951 20 0 GCADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001573694269 948291962 /nfs/dbraw/zinc/29/19/62/948291962.db2.gz CAFNIIWMTNFHEV-WCQYABFASA-N -1 1 392.485 0.406 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573695151 948300642 /nfs/dbraw/zinc/30/06/42/948300642.db2.gz FFJXMAVBLLXBAA-GTNSWQLSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573695151 948300653 /nfs/dbraw/zinc/30/06/53/948300653.db2.gz FFJXMAVBLLXBAA-GTNSWQLSSA-N -1 1 384.400 0.111 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573442944 948300936 /nfs/dbraw/zinc/30/09/36/948300936.db2.gz KMOBMXZQOMKGGB-CABZTGNLSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573442962 948302519 /nfs/dbraw/zinc/30/25/19/948302519.db2.gz KTQGEFGATZPEIG-YPMHNXCESA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573442962 948302529 /nfs/dbraw/zinc/30/25/29/948302529.db2.gz KTQGEFGATZPEIG-YPMHNXCESA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(F)(F)F ZINC001573696111 948317622 /nfs/dbraw/zinc/31/76/22/948317622.db2.gz LGDSRGOWLYPENN-QMMMGPOBSA-N -1 1 390.391 0.790 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccco1 ZINC001573696218 948319376 /nfs/dbraw/zinc/31/93/76/948319376.db2.gz MDROEFBTHXSZCT-LPWJVIDDSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccco1 ZINC001573696218 948319384 /nfs/dbraw/zinc/31/93/84/948319384.db2.gz MDROEFBTHXSZCT-LPWJVIDDSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccc1 ZINC001573696251 948320931 /nfs/dbraw/zinc/32/09/31/948320931.db2.gz MQNGABMSZSVVGU-SYQHCUMBSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccc1 ZINC001573696251 948320935 /nfs/dbraw/zinc/32/09/35/948320935.db2.gz MQNGABMSZSVVGU-SYQHCUMBSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573696747 948332040 /nfs/dbraw/zinc/33/20/40/948332040.db2.gz WRZHCLCCVODJEZ-PIGZYNQJSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573696747 948332050 /nfs/dbraw/zinc/33/20/50/948332050.db2.gz WRZHCLCCVODJEZ-PIGZYNQJSA-N -1 1 384.400 0.111 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573446857 948335102 /nfs/dbraw/zinc/33/51/02/948335102.db2.gz PUROECJJKXTGKT-BXKDBHETSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573446716 948335748 /nfs/dbraw/zinc/33/57/48/948335748.db2.gz NUWRJSNWNGBPRP-CQSZACIVSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573446716 948335758 /nfs/dbraw/zinc/33/57/58/948335758.db2.gz NUWRJSNWNGBPRP-CQSZACIVSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573446833 948335936 /nfs/dbraw/zinc/33/59/36/948335936.db2.gz PDJOBJDSXCFDPX-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573446833 948335946 /nfs/dbraw/zinc/33/59/46/948335946.db2.gz PDJOBJDSXCFDPX-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573704060 948363772 /nfs/dbraw/zinc/36/37/72/948363772.db2.gz ONESJNCLOAXXAL-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573704060 948363781 /nfs/dbraw/zinc/36/37/81/948363781.db2.gz ONESJNCLOAXXAL-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573704602 948377516 /nfs/dbraw/zinc/37/75/16/948377516.db2.gz TVRJAJIPSOFIGD-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573704602 948377524 /nfs/dbraw/zinc/37/75/24/948377524.db2.gz TVRJAJIPSOFIGD-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573704719 948379833 /nfs/dbraw/zinc/37/98/33/948379833.db2.gz CYOMDVLPXDYSAB-STQMWFEESA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573704719 948379840 /nfs/dbraw/zinc/37/98/40/948379840.db2.gz CYOMDVLPXDYSAB-STQMWFEESA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573704710 948380177 /nfs/dbraw/zinc/38/01/77/948380177.db2.gz CSYPKXWYFISCFB-WFASDCNBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573704710 948380184 /nfs/dbraw/zinc/38/01/84/948380184.db2.gz CSYPKXWYFISCFB-WFASDCNBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573704752 948382735 /nfs/dbraw/zinc/38/27/35/948382735.db2.gz DLJGRFFBAWLBRM-OLZOCXBDSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573704752 948382741 /nfs/dbraw/zinc/38/27/41/948382741.db2.gz DLJGRFFBAWLBRM-OLZOCXBDSA-N -1 1 379.428 0.798 20 0 GCADMM O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487900 948401668 /nfs/dbraw/zinc/40/16/68/948401668.db2.gz CXEOFHNYVXAAAL-MRVPVSSYSA-N -1 1 394.354 0.921 20 0 GCADMM O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487900 948401670 /nfs/dbraw/zinc/40/16/70/948401670.db2.gz CXEOFHNYVXAAAL-MRVPVSSYSA-N -1 1 394.354 0.921 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573705694 948405682 /nfs/dbraw/zinc/40/56/82/948405682.db2.gz IVPRSZYAQKKRQY-LBPRGKRZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573705694 948405685 /nfs/dbraw/zinc/40/56/85/948405685.db2.gz IVPRSZYAQKKRQY-LBPRGKRZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(F)(F)F ZINC001573705634 948406575 /nfs/dbraw/zinc/40/65/75/948406575.db2.gz GPCWEEPOTWAQLA-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(F)(F)F ZINC001573705634 948406585 /nfs/dbraw/zinc/40/65/85/948406585.db2.gz GPCWEEPOTWAQLA-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573706170 948413515 /nfs/dbraw/zinc/41/35/15/948413515.db2.gz ZGVMGJSIRZOQCL-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573706170 948413518 /nfs/dbraw/zinc/41/35/18/948413518.db2.gz ZGVMGJSIRZOQCL-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573706306 948417503 /nfs/dbraw/zinc/41/75/03/948417503.db2.gz IEZOCGSADVXVJV-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573706306 948417509 /nfs/dbraw/zinc/41/75/09/948417509.db2.gz IEZOCGSADVXVJV-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CCC1 ZINC001573706348 948417674 /nfs/dbraw/zinc/41/76/74/948417674.db2.gz ISFKORUTFVJLQY-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CCC1 ZINC001573706348 948417683 /nfs/dbraw/zinc/41/76/83/948417683.db2.gz ISFKORUTFVJLQY-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)c1ccco1 ZINC001573706432 948418823 /nfs/dbraw/zinc/41/88/23/948418823.db2.gz JBHDBQFEOIHADR-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)c1ccco1 ZINC001573706432 948418831 /nfs/dbraw/zinc/41/88/31/948418831.db2.gz JBHDBQFEOIHADR-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCCC1 ZINC001573706627 948422980 /nfs/dbraw/zinc/42/29/80/948422980.db2.gz JTAJSHFWOLLLGN-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCCC1 ZINC001573706627 948422985 /nfs/dbraw/zinc/42/29/85/948422985.db2.gz JTAJSHFWOLLLGN-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573706787 948423980 /nfs/dbraw/zinc/42/39/80/948423980.db2.gz LFBFGFGUAVAATE-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573706796 948424919 /nfs/dbraw/zinc/42/49/19/948424919.db2.gz LFBFGFGUAVAATE-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573706929 948427132 /nfs/dbraw/zinc/42/71/32/948427132.db2.gz MOPJASSMLLRVOB-GFCCVEGCSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573707115 948428058 /nfs/dbraw/zinc/42/80/58/948428058.db2.gz MNPPEUTXIXXGCZ-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573707115 948428061 /nfs/dbraw/zinc/42/80/61/948428061.db2.gz MNPPEUTXIXXGCZ-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001573707230 948430058 /nfs/dbraw/zinc/43/00/58/948430058.db2.gz OEGRFEPAWAIIGW-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001573707230 948430068 /nfs/dbraw/zinc/43/00/68/948430068.db2.gz OEGRFEPAWAIIGW-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C1CCC1 ZINC001573707876 948438824 /nfs/dbraw/zinc/43/88/24/948438824.db2.gz QGJWKKGHHLMMFL-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C1CCC1 ZINC001573707876 948438831 /nfs/dbraw/zinc/43/88/31/948438831.db2.gz QGJWKKGHHLMMFL-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573707877 948439953 /nfs/dbraw/zinc/43/99/53/948439953.db2.gz QWZJVMMYLJBWBA-IUODEOHRSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573707877 948439955 /nfs/dbraw/zinc/43/99/55/948439955.db2.gz QWZJVMMYLJBWBA-IUODEOHRSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(F)(F)F ZINC001573708257 948446925 /nfs/dbraw/zinc/44/69/25/948446925.db2.gz SHKSOTFALUTQQF-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(C)(F)F ZINC001573708854 948459209 /nfs/dbraw/zinc/45/92/09/948459209.db2.gz XXCDVDLWKHQGRP-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(C)(F)F ZINC001573708854 948459215 /nfs/dbraw/zinc/45/92/15/948459215.db2.gz XXCDVDLWKHQGRP-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573708851 948460417 /nfs/dbraw/zinc/46/04/17/948460417.db2.gz XWCHRFYMTUDFKG-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573708944 948463386 /nfs/dbraw/zinc/46/33/86/948463386.db2.gz ZCWQCHTXCHKIKC-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573714100 948469458 /nfs/dbraw/zinc/46/94/58/948469458.db2.gz DLXDMGFVINDLJN-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573714100 948469461 /nfs/dbraw/zinc/46/94/61/948469461.db2.gz DLXDMGFVINDLJN-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCCOCCN(C)c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573715912 948495219 /nfs/dbraw/zinc/49/52/19/948495219.db2.gz ARXLWDVWEJGIGM-QWHCGFSZSA-N -1 1 390.448 0.041 20 0 GCADMM C[C@H](C(=O)NCCOCCN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573716176 948497051 /nfs/dbraw/zinc/49/70/51/948497051.db2.gz CPQIYVNQLDZBRH-CYBMUJFWSA-N -1 1 385.432 0.288 20 0 GCADMM C[C@H](C(=O)NCCOCCN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573716176 948497059 /nfs/dbraw/zinc/49/70/59/948497059.db2.gz CPQIYVNQLDZBRH-CYBMUJFWSA-N -1 1 385.432 0.288 20 0 GCADMM C[C@@H](C(=O)NCCc1ccc2c(c1)OCCCO2)n1cnc(-c2nn[n-]n2)n1 ZINC001573717319 948506656 /nfs/dbraw/zinc/50/66/56/948506656.db2.gz LFFCELPFYODCTO-NSHDSACASA-N -1 1 384.400 0.539 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)N(C)CC(F)(F)F ZINC001573717495 948508427 /nfs/dbraw/zinc/50/84/27/948508427.db2.gz DCGHPBGZRWJNNM-VIFPVBQESA-N -1 1 387.370 0.092 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573717495 948508429 /nfs/dbraw/zinc/50/84/29/948508429.db2.gz DCGHPBGZRWJNNM-VIFPVBQESA-N -1 1 387.370 0.092 20 0 GCADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cnn(C)c1 ZINC001573719178 948523530 /nfs/dbraw/zinc/52/35/30/948523530.db2.gz KRIRPRAEOWLZBV-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cnn(C)c1 ZINC001573719178 948523537 /nfs/dbraw/zinc/52/35/37/948523537.db2.gz KRIRPRAEOWLZBV-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573721329 948539812 /nfs/dbraw/zinc/53/98/12/948539812.db2.gz XTAVZFGZLFHIGB-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573721329 948539817 /nfs/dbraw/zinc/53/98/17/948539817.db2.gz XTAVZFGZLFHIGB-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573721325 948539979 /nfs/dbraw/zinc/53/99/79/948539979.db2.gz XLHHTCGBZOVRRU-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573721325 948539984 /nfs/dbraw/zinc/53/99/84/948539984.db2.gz XLHHTCGBZOVRRU-LBPRGKRZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(C)C ZINC001573721589 948541097 /nfs/dbraw/zinc/54/10/97/948541097.db2.gz YVZWLBYLTWCZIJ-CYBMUJFWSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccc1 ZINC001573726231 948548169 /nfs/dbraw/zinc/54/81/69/948548169.db2.gz GIVZSEBJZGLDSR-HZSPNIEDSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccc1 ZINC001573726231 948548175 /nfs/dbraw/zinc/54/81/75/948548175.db2.gz GIVZSEBJZGLDSR-HZSPNIEDSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573726014 948548502 /nfs/dbraw/zinc/54/85/02/948548502.db2.gz FVTMUPBBZXOKDF-WZRBSPASSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573726014 948548506 /nfs/dbraw/zinc/54/85/06/948548506.db2.gz FVTMUPBBZXOKDF-WZRBSPASSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NCc1cc(Br)ccn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573727675 948555928 /nfs/dbraw/zinc/55/59/28/948555928.db2.gz BISRNEKUXJJPBA-ZETCQYMHSA-N -1 1 378.194 0.493 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573727659 948555952 /nfs/dbraw/zinc/55/59/52/948555952.db2.gz BDTMQXTTZWTQBA-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573727659 948555961 /nfs/dbraw/zinc/55/59/61/948555961.db2.gz BDTMQXTTZWTQBA-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573727973 948557110 /nfs/dbraw/zinc/55/71/10/948557110.db2.gz NZUWFCGPXMLUCB-JHJVBQTASA-N -1 1 396.459 0.382 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573727973 948557114 /nfs/dbraw/zinc/55/71/14/948557114.db2.gz NZUWFCGPXMLUCB-JHJVBQTASA-N -1 1 396.459 0.382 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573736067 948611030 /nfs/dbraw/zinc/61/10/30/948611030.db2.gz FRFQEAFPOMHVDE-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573736067 948611035 /nfs/dbraw/zinc/61/10/35/948611035.db2.gz FRFQEAFPOMHVDE-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573736271 948614279 /nfs/dbraw/zinc/61/42/79/948614279.db2.gz MFVHVOSBDZRVBC-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573736271 948614283 /nfs/dbraw/zinc/61/42/83/948614283.db2.gz MFVHVOSBDZRVBC-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1cccs1 ZINC001573739628 948620842 /nfs/dbraw/zinc/62/08/42/948620842.db2.gz FUHKETARVHPROW-MVWJERBFSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1cccs1 ZINC001573739628 948620845 /nfs/dbraw/zinc/62/08/45/948620845.db2.gz FUHKETARVHPROW-MVWJERBFSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C)S(C)(=O)=O ZINC001573739840 948624129 /nfs/dbraw/zinc/62/41/29/948624129.db2.gz BZAPZUDYPORRRO-JFGNBEQYSA-N -1 1 398.514 0.298 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccsc1 ZINC001573740042 948628380 /nfs/dbraw/zinc/62/83/80/948628380.db2.gz JZNZHROBKWNYGP-ZWKOPEQDSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccsc1 ZINC001573740042 948628386 /nfs/dbraw/zinc/62/83/86/948628386.db2.gz JZNZHROBKWNYGP-ZWKOPEQDSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1ccsc1 ZINC001573740367 948632317 /nfs/dbraw/zinc/63/23/17/948632317.db2.gz JLZDFPUEGVOQLQ-BIMULSAOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1ccsc1 ZINC001573740367 948632320 /nfs/dbraw/zinc/63/23/20/948632320.db2.gz JLZDFPUEGVOQLQ-BIMULSAOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573741113 948651375 /nfs/dbraw/zinc/65/13/75/948651375.db2.gz XXIURJIWAGKMOU-MXYBEHONSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573741113 948651381 /nfs/dbraw/zinc/65/13/81/948651381.db2.gz XXIURJIWAGKMOU-MXYBEHONSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573745143 948668954 /nfs/dbraw/zinc/66/89/54/948668954.db2.gz AYXCXVACJGJYPN-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573745143 948668957 /nfs/dbraw/zinc/66/89/57/948668957.db2.gz AYXCXVACJGJYPN-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1cnn(C)c1 ZINC001573745674 948674488 /nfs/dbraw/zinc/67/44/88/948674488.db2.gz GPXJOHGYIZQBAY-WZRBSPASSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1cnn(C)c1 ZINC001573745674 948674494 /nfs/dbraw/zinc/67/44/94/948674494.db2.gz GPXJOHGYIZQBAY-WZRBSPASSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573751927 948706699 /nfs/dbraw/zinc/70/66/99/948706699.db2.gz IHFWLFSRTPMFCA-OPDFLTKYSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573751927 948706704 /nfs/dbraw/zinc/70/67/04/948706704.db2.gz IHFWLFSRTPMFCA-OPDFLTKYSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573752987 948715125 /nfs/dbraw/zinc/71/51/25/948715125.db2.gz PYXZOOKRQYEDBY-CRWXNKLISA-N -1 1 379.428 0.945 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573752987 948715132 /nfs/dbraw/zinc/71/51/32/948715132.db2.gz PYXZOOKRQYEDBY-CRWXNKLISA-N -1 1 379.428 0.945 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573753750 948721179 /nfs/dbraw/zinc/72/11/79/948721179.db2.gz XXIURJIWAGKMOU-NEBZKDRISA-N -1 1 379.428 0.945 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573753750 948721184 /nfs/dbraw/zinc/72/11/84/948721184.db2.gz XXIURJIWAGKMOU-NEBZKDRISA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573753751 948721649 /nfs/dbraw/zinc/72/16/49/948721649.db2.gz XXIURJIWAGKMOU-UXOAXIEHSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573753751 948721651 /nfs/dbraw/zinc/72/16/51/948721651.db2.gz XXIURJIWAGKMOU-UXOAXIEHSA-N -1 1 379.428 0.945 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001574416058 948744502 /nfs/dbraw/zinc/74/45/02/948744502.db2.gz OCQOQRGKYSCOJG-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001574416058 948744512 /nfs/dbraw/zinc/74/45/12/948744512.db2.gz OCQOQRGKYSCOJG-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccc(C(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)cc1 ZINC001574416406 948748924 /nfs/dbraw/zinc/74/89/24/948748924.db2.gz USHSGCMRAZWZBS-UHFFFAOYSA-N -1 1 384.396 0.189 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)CC1 ZINC001575221774 948750893 /nfs/dbraw/zinc/75/08/93/948750893.db2.gz CIQQDICZMNZNTL-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)CC1 ZINC001575221774 948750897 /nfs/dbraw/zinc/75/08/97/948750897.db2.gz CIQQDICZMNZNTL-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574914627 948751224 /nfs/dbraw/zinc/75/12/24/948751224.db2.gz LNJQZYUJSSMDOH-SNVBAGLBSA-N -1 1 388.382 0.906 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574915134 948761557 /nfs/dbraw/zinc/76/15/57/948761557.db2.gz RHEFWLRELARVTJ-NSHDSACASA-N -1 1 383.416 0.331 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574915134 948761563 /nfs/dbraw/zinc/76/15/63/948761563.db2.gz RHEFWLRELARVTJ-NSHDSACASA-N -1 1 383.416 0.331 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574678882 948763066 /nfs/dbraw/zinc/76/30/66/948763066.db2.gz KUMQONZCFCDVTE-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574678882 948763075 /nfs/dbraw/zinc/76/30/75/948763075.db2.gz KUMQONZCFCDVTE-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574679244 948773783 /nfs/dbraw/zinc/77/37/83/948773783.db2.gz RCWBTASMBPQCHH-GFCCVEGCSA-N -1 1 389.464 0.074 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574679244 948773799 /nfs/dbraw/zinc/77/37/99/948773799.db2.gz RCWBTASMBPQCHH-GFCCVEGCSA-N -1 1 389.464 0.074 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574418499 948776292 /nfs/dbraw/zinc/77/62/92/948776292.db2.gz XGPSKZMTHSCNFK-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574418499 948776316 /nfs/dbraw/zinc/77/63/16/948776316.db2.gz XGPSKZMTHSCNFK-CQSZACIVSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccc(OCC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001574418625 948778906 /nfs/dbraw/zinc/77/89/06/948778906.db2.gz ZDNDRUHKPFQTHN-UHFFFAOYSA-N -1 1 399.411 0.448 20 0 GCADMM CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575224304 948782238 /nfs/dbraw/zinc/78/22/38/948782238.db2.gz MEJCWKAIWUAROK-UWVGGRQHSA-N -1 1 378.387 0.963 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574679500 948786197 /nfs/dbraw/zinc/78/61/97/948786197.db2.gz WISSXAHKQNMBFW-SECBINFHSA-N -1 1 386.424 0.019 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574679500 948786216 /nfs/dbraw/zinc/78/62/16/948786216.db2.gz WISSXAHKQNMBFW-SECBINFHSA-N -1 1 386.424 0.019 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001575224484 948787561 /nfs/dbraw/zinc/78/75/61/948787561.db2.gz NYVUMSSTBBOGON-MNOVXSKESA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001575224484 948787571 /nfs/dbraw/zinc/78/75/71/948787571.db2.gz NYVUMSSTBBOGON-MNOVXSKESA-N -1 1 378.387 0.987 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574679624 948790184 /nfs/dbraw/zinc/79/01/84/948790184.db2.gz ZBSYQXGCHHKSDF-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574679624 948790198 /nfs/dbraw/zinc/79/01/98/948790198.db2.gz ZBSYQXGCHHKSDF-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574679613 948790318 /nfs/dbraw/zinc/79/03/18/948790318.db2.gz YSBSHBRCNCVITP-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574679613 948790329 /nfs/dbraw/zinc/79/03/29/948790329.db2.gz YSBSHBRCNCVITP-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM CC(C)c1cccc(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001574419963 948791024 /nfs/dbraw/zinc/79/10/24/948791024.db2.gz MFCFWLALLCZGSI-UHFFFAOYSA-N -1 1 383.412 0.959 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574419725 948791203 /nfs/dbraw/zinc/79/12/03/948791203.db2.gz JPLCQMNTEPPHCE-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574419725 948791219 /nfs/dbraw/zinc/79/12/19/948791219.db2.gz JPLCQMNTEPPHCE-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575224723 948792607 /nfs/dbraw/zinc/79/26/07/948792607.db2.gz XSWVSBIMQBAXOD-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575224723 948792614 /nfs/dbraw/zinc/79/26/14/948792614.db2.gz XSWVSBIMQBAXOD-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575224785 948794547 /nfs/dbraw/zinc/79/45/47/948794547.db2.gz RKZFDWJDNDBHEN-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575224785 948794561 /nfs/dbraw/zinc/79/45/61/948794561.db2.gz RKZFDWJDNDBHEN-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C)nc1C(F)F ZINC001574679919 948795729 /nfs/dbraw/zinc/79/57/29/948795729.db2.gz BSUZYNVUMFLVDO-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C)nc1C(F)F ZINC001574679919 948795741 /nfs/dbraw/zinc/79/57/41/948795741.db2.gz BSUZYNVUMFLVDO-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncc2n1CCCC2 ZINC001574680109 948800200 /nfs/dbraw/zinc/80/02/00/948800200.db2.gz DNIUBKLYKMQOTI-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncc2n1CCCC2 ZINC001574680109 948800214 /nfs/dbraw/zinc/80/02/14/948800214.db2.gz DNIUBKLYKMQOTI-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM CC(C)[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccn1 ZINC001574081037 948812132 /nfs/dbraw/zinc/81/21/32/948812132.db2.gz WZMQZSPCBHAQNV-AWEZNQCLSA-N -1 1 384.400 0.428 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(CN(C)C)on1 ZINC001574681324 948815745 /nfs/dbraw/zinc/81/57/45/948815745.db2.gz LJXCOYUKZKVZEF-JTQLQIEISA-N -1 1 386.420 0.327 20 0 GCADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001573756479 948818854 /nfs/dbraw/zinc/81/88/54/948818854.db2.gz SKAABCZWUUKBOU-WPRPVWTQSA-N -1 1 380.409 0.392 20 0 GCADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001573756479 948818872 /nfs/dbraw/zinc/81/88/72/948818872.db2.gz SKAABCZWUUKBOU-WPRPVWTQSA-N -1 1 380.409 0.392 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574681818 948822405 /nfs/dbraw/zinc/82/24/05/948822405.db2.gz OGSARELZADRYTR-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574681818 948822423 /nfs/dbraw/zinc/82/24/23/948822423.db2.gz OGSARELZADRYTR-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575227700 948831701 /nfs/dbraw/zinc/83/17/01/948831701.db2.gz YLADZXPWXMFCFI-HNNXBMFYSA-N -1 1 382.375 0.467 20 0 GCADMM CC(F)(F)CC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575227700 948831722 /nfs/dbraw/zinc/83/17/22/948831722.db2.gz YLADZXPWXMFCFI-HNNXBMFYSA-N -1 1 382.375 0.467 20 0 GCADMM CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574423991 948835408 /nfs/dbraw/zinc/83/54/08/948835408.db2.gz AHYIONMFOCTYFN-JTQLQIEISA-N -1 1 388.457 0.466 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc(Cl)n1C ZINC001574683270 948844897 /nfs/dbraw/zinc/84/48/97/948844897.db2.gz XCFKEBYDBKAICF-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc(Cl)n1C ZINC001574683270 948844913 /nfs/dbraw/zinc/84/49/13/948844913.db2.gz XCFKEBYDBKAICF-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cc(Cl)cn1 ZINC001574683247 948845850 /nfs/dbraw/zinc/84/58/50/948845850.db2.gz WKTNPVPYNINXCB-JTQLQIEISA-N -1 1 390.839 0.904 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cc(Cl)cn1 ZINC001574683247 948845868 /nfs/dbraw/zinc/84/58/68/948845868.db2.gz WKTNPVPYNINXCB-JTQLQIEISA-N -1 1 390.839 0.904 20 0 GCADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001574082039 948846186 /nfs/dbraw/zinc/84/61/86/948846186.db2.gz ZUMREFCWEVVCQN-BKPPORCPSA-N -1 1 389.844 0.636 20 0 GCADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001574082039 948846199 /nfs/dbraw/zinc/84/61/99/948846199.db2.gz ZUMREFCWEVVCQN-BKPPORCPSA-N -1 1 389.844 0.636 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574424366 948850541 /nfs/dbraw/zinc/85/05/41/948850541.db2.gz MKJFEZSPKBEIGA-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574424366 948850556 /nfs/dbraw/zinc/85/05/56/948850556.db2.gz MKJFEZSPKBEIGA-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574683396 948851237 /nfs/dbraw/zinc/85/12/37/948851237.db2.gz ZISJUFPFAJTNEG-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574683396 948851252 /nfs/dbraw/zinc/85/12/52/948851252.db2.gz ZISJUFPFAJTNEG-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C)nc1Cl ZINC001574683405 948851975 /nfs/dbraw/zinc/85/19/75/948851975.db2.gz ZWUVXDMSTDHTGH-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C)nc1Cl ZINC001574683405 948851993 /nfs/dbraw/zinc/85/19/93/948851993.db2.gz ZWUVXDMSTDHTGH-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H](C)NC(N)=O ZINC001574684045 948853861 /nfs/dbraw/zinc/85/38/61/948853861.db2.gz AMIICGRDTIOVDU-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001575229786 948861195 /nfs/dbraw/zinc/86/11/95/948861195.db2.gz TZSYFXYQJQVBQG-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001575229786 948861215 /nfs/dbraw/zinc/86/12/15/948861215.db2.gz TZSYFXYQJQVBQG-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684378 948863633 /nfs/dbraw/zinc/86/36/33/948863633.db2.gz DZHWLTQWTMJMHS-NKWVEPMBSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ncn(C)n1 ZINC001574684276 948864857 /nfs/dbraw/zinc/86/48/57/948864857.db2.gz CUONUTLOBKEWAD-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ncn(C)n1 ZINC001574684276 948864874 /nfs/dbraw/zinc/86/48/74/948864874.db2.gz CUONUTLOBKEWAD-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684502 948871425 /nfs/dbraw/zinc/87/14/25/948871425.db2.gz HMPUEGZMSZDWOP-RNFRBKRXSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684502 948871437 /nfs/dbraw/zinc/87/14/37/948871437.db2.gz HMPUEGZMSZDWOP-RNFRBKRXSA-N -1 1 384.853 0.562 20 0 GCADMM CC(F)(F)CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575232569 948877990 /nfs/dbraw/zinc/87/79/90/948877990.db2.gz FEUJFYYJXVODAF-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575232569 948878008 /nfs/dbraw/zinc/87/80/08/948878008.db2.gz FEUJFYYJXVODAF-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(C)(C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573764369 948891824 /nfs/dbraw/zinc/89/18/24/948891824.db2.gz OEJDCGUXQFAXEH-GOSISDBHSA-N -1 1 386.460 0.280 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H](C)CC(N)=O ZINC001574684869 948892543 /nfs/dbraw/zinc/89/25/43/948892543.db2.gz OBGJQOVTUAMCHB-NKWVEPMBSA-N -1 1 386.869 0.795 20 0 GCADMM CC(C)c1ncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001574427399 948904709 /nfs/dbraw/zinc/90/47/09/948904709.db2.gz DXJSPCRUSFKEKI-JTQLQIEISA-N -1 1 385.457 0.985 20 0 GCADMM CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573765343 948905520 /nfs/dbraw/zinc/90/55/20/948905520.db2.gz ZAQNOUIMONUZOB-QWHCGFSZSA-N -1 1 386.460 0.687 20 0 GCADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001575234855 948910028 /nfs/dbraw/zinc/91/00/28/948910028.db2.gz HRTIWFPGUSOCLM-PHIMTYICSA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001575234855 948910039 /nfs/dbraw/zinc/91/00/39/948910039.db2.gz HRTIWFPGUSOCLM-PHIMTYICSA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235139 948912040 /nfs/dbraw/zinc/91/20/40/948912040.db2.gz JIHNZJJBPMAISH-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235139 948912053 /nfs/dbraw/zinc/91/20/53/948912053.db2.gz JIHNZJJBPMAISH-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088312 948918713 /nfs/dbraw/zinc/91/87/13/948918713.db2.gz ATFFSPHHBHIUNG-STQMWFEESA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088312 948918725 /nfs/dbraw/zinc/91/87/25/948918725.db2.gz ATFFSPHHBHIUNG-STQMWFEESA-N -1 1 386.460 0.714 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574923013 948930529 /nfs/dbraw/zinc/93/05/29/948930529.db2.gz BGHQKSVZGPOIBL-JTQLQIEISA-N -1 1 390.839 0.183 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574923027 948932599 /nfs/dbraw/zinc/93/25/99/948932599.db2.gz BOKYVPBQLNLXDD-JTQLQIEISA-N -1 1 390.839 0.761 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574923027 948932611 /nfs/dbraw/zinc/93/26/11/948932611.db2.gz BOKYVPBQLNLXDD-JTQLQIEISA-N -1 1 390.839 0.761 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574432692 948939495 /nfs/dbraw/zinc/93/94/95/948939495.db2.gz AIDBFKXXCVNNDG-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574432692 948939504 /nfs/dbraw/zinc/93/95/04/948939504.db2.gz AIDBFKXXCVNNDG-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001575236996 948941066 /nfs/dbraw/zinc/94/10/66/948941066.db2.gz CHNHFQRGKOHNAX-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)(C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1c[nH]cn1 ZINC001573771470 948942981 /nfs/dbraw/zinc/94/29/81/948942981.db2.gz ILNCNSATOYXXHL-GFCCVEGCSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574923319 948946662 /nfs/dbraw/zinc/94/66/62/948946662.db2.gz JLKWMLBLVZMSEA-JTQLQIEISA-N -1 1 390.839 0.761 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574923319 948946677 /nfs/dbraw/zinc/94/66/77/948946677.db2.gz JLKWMLBLVZMSEA-JTQLQIEISA-N -1 1 390.839 0.761 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574433342 948951731 /nfs/dbraw/zinc/95/17/31/948951731.db2.gz VJZWRVSLLFTIER-UHFFFAOYSA-N -1 1 380.416 0.945 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574433342 948951741 /nfs/dbraw/zinc/95/17/41/948951741.db2.gz VJZWRVSLLFTIER-UHFFFAOYSA-N -1 1 380.416 0.945 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575238342 948952686 /nfs/dbraw/zinc/95/26/86/948952686.db2.gz KVVIUBYRRURJHX-KOLCDFICSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575238342 948952697 /nfs/dbraw/zinc/95/26/97/948952697.db2.gz KVVIUBYRRURJHX-KOLCDFICSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433316 948953006 /nfs/dbraw/zinc/95/30/06/948953006.db2.gz UDASHDXUDGNLMG-XYPYZODXSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433316 948953015 /nfs/dbraw/zinc/95/30/15/948953015.db2.gz UDASHDXUDGNLMG-XYPYZODXSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574089497 948956023 /nfs/dbraw/zinc/95/60/23/948956023.db2.gz HXCTUKFVTRLURA-KGLIPLIRSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574089497 948956034 /nfs/dbraw/zinc/95/60/34/948956034.db2.gz HXCTUKFVTRLURA-KGLIPLIRSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)C(F)F ZINC001573772351 948957287 /nfs/dbraw/zinc/95/72/87/948957287.db2.gz AOEBSNNFFKBOHY-BDAKNGLRSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)C(F)F ZINC001573772351 948957293 /nfs/dbraw/zinc/95/72/93/948957293.db2.gz AOEBSNNFFKBOHY-BDAKNGLRSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574433413 948958101 /nfs/dbraw/zinc/95/81/01/948958101.db2.gz MHXJWEIXYVFCIB-NSHDSACASA-N -1 1 384.448 0.768 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCCO1 ZINC001573772406 948958951 /nfs/dbraw/zinc/95/89/51/948958951.db2.gz BIUBBFNTXLBSHP-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCCO1 ZINC001573772406 948958963 /nfs/dbraw/zinc/95/89/63/948958963.db2.gz BIUBBFNTXLBSHP-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574089626 948963206 /nfs/dbraw/zinc/96/32/06/948963206.db2.gz INWQKKUVRMRUJI-QWHCGFSZSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574089626 948963220 /nfs/dbraw/zinc/96/32/20/948963220.db2.gz INWQKKUVRMRUJI-QWHCGFSZSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001574433846 948966339 /nfs/dbraw/zinc/96/63/39/948966339.db2.gz SHWBOBVDSZSGPL-YPMHNXCESA-N -1 1 396.459 0.911 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001574433846 948966352 /nfs/dbraw/zinc/96/63/52/948966352.db2.gz SHWBOBVDSZSGPL-YPMHNXCESA-N -1 1 396.459 0.911 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433837 948966743 /nfs/dbraw/zinc/96/67/43/948966743.db2.gz SBEYJKWOYXQCLX-LLVKDONJSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574689356 948982226 /nfs/dbraw/zinc/98/22/26/948982226.db2.gz GMPBGVGMGHMPLS-MNOVXSKESA-N -1 1 382.432 0.807 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574689356 948982239 /nfs/dbraw/zinc/98/22/39/948982239.db2.gz GMPBGVGMGHMPLS-MNOVXSKESA-N -1 1 382.432 0.807 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574689357 948985267 /nfs/dbraw/zinc/98/52/67/948985267.db2.gz GMPBGVGMGHMPLS-QWRGUYRKSA-N -1 1 382.432 0.807 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574689357 948985288 /nfs/dbraw/zinc/98/52/88/948985288.db2.gz GMPBGVGMGHMPLS-QWRGUYRKSA-N -1 1 382.432 0.807 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573773566 948985578 /nfs/dbraw/zinc/98/55/78/948985578.db2.gz MAGYZFOCQZRUGF-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574434986 948988808 /nfs/dbraw/zinc/98/88/08/948988808.db2.gz ODDHQZHRVGGMBP-UHFFFAOYSA-N -1 1 392.445 0.458 20 0 GCADMM CC(C)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574434986 948988819 /nfs/dbraw/zinc/98/88/19/948988819.db2.gz ODDHQZHRVGGMBP-UHFFFAOYSA-N -1 1 392.445 0.458 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCO1 ZINC001573773674 948990267 /nfs/dbraw/zinc/99/02/67/948990267.db2.gz CVRCLRHYBUHUQQ-YPMHNXCESA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCO1 ZINC001573773674 948990281 /nfs/dbraw/zinc/99/02/81/948990281.db2.gz CVRCLRHYBUHUQQ-YPMHNXCESA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCCO1 ZINC001573773700 948993541 /nfs/dbraw/zinc/99/35/41/948993541.db2.gz DXWMFZCBPXJUMU-LBPRGKRZSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574690387 949000152 /nfs/dbraw/zinc/00/01/52/949000152.db2.gz OPQXQXAHVSVFJT-LBPRGKRZSA-N -1 1 389.464 0.074 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574690387 949000169 /nfs/dbraw/zinc/00/01/69/949000169.db2.gz OPQXQXAHVSVFJT-LBPRGKRZSA-N -1 1 389.464 0.074 20 0 GCADMM C[C@H](CC(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574690363 949001555 /nfs/dbraw/zinc/00/15/55/949001555.db2.gz OKNHGSWOTKYZKN-NEPJUHHUSA-N -1 1 384.448 0.891 20 0 GCADMM C[C@H](CC(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574690363 949001568 /nfs/dbraw/zinc/00/15/68/949001568.db2.gz OKNHGSWOTKYZKN-NEPJUHHUSA-N -1 1 384.448 0.891 20 0 GCADMM CC(C)c1nnnn1CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001574439194 949003335 /nfs/dbraw/zinc/00/33/35/949003335.db2.gz BUABZTBIUBTVQY-UHFFFAOYSA-N -1 1 393.209 0.773 20 0 GCADMM CC(C)c1nnnn1CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001574439194 949003349 /nfs/dbraw/zinc/00/33/49/949003349.db2.gz BUABZTBIUBTVQY-UHFFFAOYSA-N -1 1 393.209 0.773 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574439607 949013898 /nfs/dbraw/zinc/01/38/98/949013898.db2.gz ICBMOAYCPVLEHR-UHFFFAOYSA-N -1 1 386.420 0.666 20 0 GCADMM CC(C)c1noc(CCC(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574439607 949013920 /nfs/dbraw/zinc/01/39/20/949013920.db2.gz ICBMOAYCPVLEHR-UHFFFAOYSA-N -1 1 386.420 0.666 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575502284 949021172 /nfs/dbraw/zinc/02/11/72/949021172.db2.gz JVVIOLNWWGMGOS-VXGBXAGGSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575502284 949021191 /nfs/dbraw/zinc/02/11/91/949021191.db2.gz JVVIOLNWWGMGOS-VXGBXAGGSA-N -1 1 383.416 0.460 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001573774986 949028387 /nfs/dbraw/zinc/02/83/87/949028387.db2.gz RARBWKLZUALPIA-RYUDHWBXSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001573774986 949028409 /nfs/dbraw/zinc/02/84/09/949028409.db2.gz RARBWKLZUALPIA-RYUDHWBXSA-N -1 1 390.448 0.141 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574926926 949029756 /nfs/dbraw/zinc/02/97/56/949029756.db2.gz DBKNXRIAQHHRMQ-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574926926 949029781 /nfs/dbraw/zinc/02/97/81/949029781.db2.gz DBKNXRIAQHHRMQ-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574440576 949035479 /nfs/dbraw/zinc/03/54/79/949035479.db2.gz SPMNSNQNVPARRE-VIFPVBQESA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574440576 949035497 /nfs/dbraw/zinc/03/54/97/949035497.db2.gz SPMNSNQNVPARRE-VIFPVBQESA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246519 949037216 /nfs/dbraw/zinc/03/72/16/949037216.db2.gz GVVPZLVUFZACNY-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246519 949037234 /nfs/dbraw/zinc/03/72/34/949037234.db2.gz GVVPZLVUFZACNY-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574440850 949039768 /nfs/dbraw/zinc/03/97/68/949039768.db2.gz WOOOBHFYPNXEAM-DTWKUNHWSA-N -1 1 388.461 0.672 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575503281 949042121 /nfs/dbraw/zinc/04/21/21/949042121.db2.gz NWKUKHNRFBBITP-LBPRGKRZSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575503281 949042142 /nfs/dbraw/zinc/04/21/42/949042142.db2.gz NWKUKHNRFBBITP-LBPRGKRZSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575247225 949044870 /nfs/dbraw/zinc/04/48/70/949044870.db2.gz IYRLZZZDVOHERL-LLVKDONJSA-N -1 1 389.464 0.102 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574440953 949044914 /nfs/dbraw/zinc/04/49/14/949044914.db2.gz ZGAXJUNBUOCJIG-SECBINFHSA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574440953 949044931 /nfs/dbraw/zinc/04/49/31/949044931.db2.gz ZGAXJUNBUOCJIG-SECBINFHSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575247225 949044888 /nfs/dbraw/zinc/04/48/88/949044888.db2.gz IYRLZZZDVOHERL-LLVKDONJSA-N -1 1 389.464 0.102 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574927549 949045319 /nfs/dbraw/zinc/04/53/19/949045319.db2.gz KBLZZCHJXDKDHC-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574927549 949045341 /nfs/dbraw/zinc/04/53/41/949045341.db2.gz KBLZZCHJXDKDHC-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575503381 949048067 /nfs/dbraw/zinc/04/80/67/949048067.db2.gz PJMHMNCZZLPBQT-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575503381 949048087 /nfs/dbraw/zinc/04/80/87/949048087.db2.gz PJMHMNCZZLPBQT-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574927893 949048870 /nfs/dbraw/zinc/04/88/70/949048870.db2.gz MIGWITKLRYTDFE-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574927893 949048890 /nfs/dbraw/zinc/04/88/90/949048890.db2.gz MIGWITKLRYTDFE-VIFPVBQESA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247956 949054352 /nfs/dbraw/zinc/05/43/52/949054352.db2.gz MBSLQLDMZAZEJZ-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575247956 949054371 /nfs/dbraw/zinc/05/43/71/949054371.db2.gz MBSLQLDMZAZEJZ-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574092293 949056570 /nfs/dbraw/zinc/05/65/70/949056570.db2.gz NNWSGKHEFVRJID-CHWSQXEVSA-N -1 1 386.460 0.591 20 0 GCADMM C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574928668 949063280 /nfs/dbraw/zinc/06/32/80/949063280.db2.gz QCHOOEARIDZKNQ-LBPRGKRZSA-N -1 1 379.428 0.636 20 0 GCADMM C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574928668 949063296 /nfs/dbraw/zinc/06/32/96/949063296.db2.gz QCHOOEARIDZKNQ-LBPRGKRZSA-N -1 1 379.428 0.636 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ncn(C)n1 ZINC001574694118 949066994 /nfs/dbraw/zinc/06/69/94/949066994.db2.gz LJKIEUWQVQWIQX-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ncn(C)n1 ZINC001574694118 949067011 /nfs/dbraw/zinc/06/70/11/949067011.db2.gz LJKIEUWQVQWIQX-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575248302 949071731 /nfs/dbraw/zinc/07/17/31/949071731.db2.gz QOHAFIIFNCAUJS-LLVKDONJSA-N -1 1 389.464 0.102 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575248302 949071742 /nfs/dbraw/zinc/07/17/42/949071742.db2.gz QOHAFIIFNCAUJS-LLVKDONJSA-N -1 1 389.464 0.102 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575504494 949071778 /nfs/dbraw/zinc/07/17/78/949071778.db2.gz WCAMPXXGKJFTSF-GFCCVEGCSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575504475 949075446 /nfs/dbraw/zinc/07/54/46/949075446.db2.gz VKCQPKRNPNFVDI-LBPRGKRZSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575504475 949075469 /nfs/dbraw/zinc/07/54/69/949075469.db2.gz VKCQPKRNPNFVDI-LBPRGKRZSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575248664 949076566 /nfs/dbraw/zinc/07/65/66/949076566.db2.gz UXNVVVCYXNSELU-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575248664 949076581 /nfs/dbraw/zinc/07/65/81/949076581.db2.gz UXNVVVCYXNSELU-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)CN1CCOCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574929109 949077311 /nfs/dbraw/zinc/07/73/11/949077311.db2.gz YOTSDNPMCDIMLC-MRVPVSSYSA-N -1 1 386.869 0.225 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574092816 949077532 /nfs/dbraw/zinc/07/75/32/949077532.db2.gz SVVPGKRUDZCLQB-QWHCGFSZSA-N -1 1 376.486 0.883 20 0 GCADMM C[C@H](CNC(=O)CN1CCOCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574929109 949077330 /nfs/dbraw/zinc/07/73/30/949077330.db2.gz YOTSDNPMCDIMLC-MRVPVSSYSA-N -1 1 386.869 0.225 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(F)F ZINC001573780035 949077882 /nfs/dbraw/zinc/07/78/82/949077882.db2.gz QGXHECBZVTUGKS-OWUUHHOZSA-N -1 1 378.387 0.746 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(F)F ZINC001573780035 949077897 /nfs/dbraw/zinc/07/78/97/949077897.db2.gz QGXHECBZVTUGKS-OWUUHHOZSA-N -1 1 378.387 0.746 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1c[nH]cn1 ZINC001573780075 949079382 /nfs/dbraw/zinc/07/93/82/949079382.db2.gz RAJDAPXVNGYXGT-NSHDSACASA-N -1 1 382.432 0.443 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1c[nH]cn1 ZINC001573780074 949080471 /nfs/dbraw/zinc/08/04/71/949080471.db2.gz RAJDAPXVNGYXGT-LLVKDONJSA-N -1 1 382.432 0.443 20 0 GCADMM CC(C)(C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573780219 949083780 /nfs/dbraw/zinc/08/37/80/949083780.db2.gz SWGCZKNZJWCBQX-UHFFFAOYSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694686 949085733 /nfs/dbraw/zinc/08/57/33/949085733.db2.gz UMPUCRDRINNVHI-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694686 949085755 /nfs/dbraw/zinc/08/57/55/949085755.db2.gz UMPUCRDRINNVHI-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM CC(C)c1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001574442017 949086031 /nfs/dbraw/zinc/08/60/31/949086031.db2.gz JERWXSFSECGDBC-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001574442017 949086049 /nfs/dbraw/zinc/08/60/49/949086049.db2.gz JERWXSFSECGDBC-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575504785 949089619 /nfs/dbraw/zinc/08/96/19/949089619.db2.gz XVTJIMHEBQLLRA-LBPRGKRZSA-N -1 1 383.416 0.202 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H](C)NC(N)=O ZINC001574694710 949089575 /nfs/dbraw/zinc/08/95/75/949089575.db2.gz UYJUPGSRSCLIDQ-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H](C)NC(N)=O ZINC001574694710 949089594 /nfs/dbraw/zinc/08/95/94/949089594.db2.gz UYJUPGSRSCLIDQ-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573780359 949090587 /nfs/dbraw/zinc/09/05/87/949090587.db2.gz WXWUIQDRTOXGPC-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573780359 949090605 /nfs/dbraw/zinc/09/06/05/949090605.db2.gz WXWUIQDRTOXGPC-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575504918 949093616 /nfs/dbraw/zinc/09/36/16/949093616.db2.gz YYZKPCXETMZSPR-NSHDSACASA-N -1 1 381.400 0.580 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575504918 949093637 /nfs/dbraw/zinc/09/36/37/949093637.db2.gz YYZKPCXETMZSPR-NSHDSACASA-N -1 1 381.400 0.580 20 0 GCADMM C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249255 949095507 /nfs/dbraw/zinc/09/55/07/949095507.db2.gz YLCSXCYJPOQGPK-VXGBXAGGSA-N -1 1 386.460 0.993 20 0 GCADMM C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249255 949095522 /nfs/dbraw/zinc/09/55/22/949095522.db2.gz YLCSXCYJPOQGPK-VXGBXAGGSA-N -1 1 386.460 0.993 20 0 GCADMM CC(C)c1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001574442364 949096099 /nfs/dbraw/zinc/09/60/99/949096099.db2.gz MWWTVCVPPPIJKA-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM CC(C)c1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001574442364 949096118 /nfs/dbraw/zinc/09/61/18/949096118.db2.gz MWWTVCVPPPIJKA-QWRGUYRKSA-N -1 1 381.400 0.871 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)COCC2 ZINC001574695148 949103001 /nfs/dbraw/zinc/10/30/01/949103001.db2.gz CXDFKIMGZXUDIC-JTQLQIEISA-N -1 1 384.404 0.004 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)COCC2 ZINC001574695148 949103011 /nfs/dbraw/zinc/10/30/11/949103011.db2.gz CXDFKIMGZXUDIC-JTQLQIEISA-N -1 1 384.404 0.004 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574695194 949105121 /nfs/dbraw/zinc/10/51/21/949105121.db2.gz DVIVORWTINBAND-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574695194 949105133 /nfs/dbraw/zinc/10/51/33/949105133.db2.gz DVIVORWTINBAND-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574695236 949109187 /nfs/dbraw/zinc/10/91/87/949109187.db2.gz FVOHARLTRYKZRY-LLVKDONJSA-N -1 1 389.464 0.516 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574695236 949109199 /nfs/dbraw/zinc/10/91/99/949109199.db2.gz FVOHARLTRYKZRY-LLVKDONJSA-N -1 1 389.464 0.516 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574445751 949112523 /nfs/dbraw/zinc/11/25/23/949112523.db2.gz BIPUALROLZFSTI-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574445751 949112537 /nfs/dbraw/zinc/11/25/37/949112537.db2.gz BIPUALROLZFSTI-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c(C2CC2)cnn1C ZINC001574695679 949115494 /nfs/dbraw/zinc/11/54/94/949115494.db2.gz JUYBBEZZQLIYQO-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c(C2CC2)cnn1C ZINC001574695679 949115510 /nfs/dbraw/zinc/11/55/10/949115510.db2.gz JUYBBEZZQLIYQO-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001574446170 949119583 /nfs/dbraw/zinc/11/95/83/949119583.db2.gz IZCDPUNUHLIJNL-QWRGUYRKSA-N -1 1 383.416 0.763 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573782323 949120742 /nfs/dbraw/zinc/12/07/42/949120742.db2.gz RGDBLJZVNZOOTQ-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573782323 949120757 /nfs/dbraw/zinc/12/07/57/949120757.db2.gz RGDBLJZVNZOOTQ-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1nccnc1-c1nnn[n-]1 ZINC001574931535 949121398 /nfs/dbraw/zinc/12/13/98/949121398.db2.gz QKAPPARLBGHNHW-VXGBXAGGSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1nccnc1-c1nn[n-]n1 ZINC001574931535 949121411 /nfs/dbraw/zinc/12/14/11/949121411.db2.gz QKAPPARLBGHNHW-VXGBXAGGSA-N -1 1 376.421 0.017 20 0 GCADMM CC(C)c1ocnc1C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574446241 949123640 /nfs/dbraw/zinc/12/36/40/949123640.db2.gz KVLPFRGHOWBGAO-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1ocnc1C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574446241 949123648 /nfs/dbraw/zinc/12/36/48/949123648.db2.gz KVLPFRGHOWBGAO-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn2c1CCCC2 ZINC001574696276 949127424 /nfs/dbraw/zinc/12/74/24/949127424.db2.gz PCFVLTMFMRHKQJ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn2c1CCCC2 ZINC001574696276 949127439 /nfs/dbraw/zinc/12/74/39/949127439.db2.gz PCFVLTMFMRHKQJ-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574696391 949127471 /nfs/dbraw/zinc/12/74/71/949127471.db2.gz PJJHXFJQCIPNOJ-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574696391 949127482 /nfs/dbraw/zinc/12/74/82/949127482.db2.gz PJJHXFJQCIPNOJ-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574696269 949128227 /nfs/dbraw/zinc/12/82/27/949128227.db2.gz OYCYTWNPDLOZQT-RYUDHWBXSA-N -1 1 387.448 0.363 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574696269 949128235 /nfs/dbraw/zinc/12/82/35/949128235.db2.gz OYCYTWNPDLOZQT-RYUDHWBXSA-N -1 1 387.448 0.363 20 0 GCADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574446387 949129794 /nfs/dbraw/zinc/12/97/94/949129794.db2.gz OAFSQNIRRHVRKS-VXGBXAGGSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575251209 949132893 /nfs/dbraw/zinc/13/28/93/949132893.db2.gz MCDOJZREPIPEII-MXWKQRLJSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575251209 949132906 /nfs/dbraw/zinc/13/29/06/949132906.db2.gz MCDOJZREPIPEII-MXWKQRLJSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574932295 949134567 /nfs/dbraw/zinc/13/45/67/949134567.db2.gz XNTNUQPYRCBFQY-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574932295 949134550 /nfs/dbraw/zinc/13/45/50/949134550.db2.gz XNTNUQPYRCBFQY-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COC[C@@H]1CCCO1 ZINC001574696788 949141453 /nfs/dbraw/zinc/14/14/53/949141453.db2.gz UKTKXPWZPXTNEA-RYUDHWBXSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COC[C@@H]1CCCO1 ZINC001574696788 949141462 /nfs/dbraw/zinc/14/14/62/949141462.db2.gz UKTKXPWZPXTNEA-RYUDHWBXSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cncnc1C1CC1 ZINC001574696865 949143882 /nfs/dbraw/zinc/14/38/82/949143882.db2.gz WEORXNOERAKJRU-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cncnc1C1CC1 ZINC001574696865 949143893 /nfs/dbraw/zinc/14/38/93/949143893.db2.gz WEORXNOERAKJRU-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574933989 949145967 /nfs/dbraw/zinc/14/59/67/949145967.db2.gz AHGMZKJWKRSLOD-NSHDSACASA-N -1 1 386.391 0.461 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C)c1C(F)F ZINC001574697055 949147216 /nfs/dbraw/zinc/14/72/16/949147216.db2.gz XTSKBXFQJCHZTJ-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C)c1C(F)F ZINC001574697055 949147228 /nfs/dbraw/zinc/14/72/28/949147228.db2.gz XTSKBXFQJCHZTJ-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574697026 949147746 /nfs/dbraw/zinc/14/77/46/949147746.db2.gz XKFGRXVIMOJCSI-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574697026 949147764 /nfs/dbraw/zinc/14/77/64/949147764.db2.gz XKFGRXVIMOJCSI-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001574095430 949148289 /nfs/dbraw/zinc/14/82/89/949148289.db2.gz YEWOSYCORRGNKA-DZGCQCFKSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001574095430 949148300 /nfs/dbraw/zinc/14/83/00/949148300.db2.gz YEWOSYCORRGNKA-DZGCQCFKSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(F)(F)F ZINC001573786822 949149397 /nfs/dbraw/zinc/14/93/97/949149397.db2.gz DLGAZPHTBJEBJS-VROVMSAKSA-N -1 1 382.350 0.796 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(F)(F)F ZINC001573786822 949149412 /nfs/dbraw/zinc/14/94/12/949149412.db2.gz DLGAZPHTBJEBJS-VROVMSAKSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(F)F)n(C)n1 ZINC001574697077 949151302 /nfs/dbraw/zinc/15/13/02/949151302.db2.gz YJHJZSBOIMGHSW-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(F)F)n(C)n1 ZINC001574697077 949151314 /nfs/dbraw/zinc/15/13/14/949151314.db2.gz YJHJZSBOIMGHSW-MRVPVSSYSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574697556 949154942 /nfs/dbraw/zinc/15/49/42/949154942.db2.gz AYUKWEGOLMUDIZ-NKWVEPMBSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934330 949155716 /nfs/dbraw/zinc/15/57/16/949155716.db2.gz FFIRWVJSZHWZKJ-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934330 949155723 /nfs/dbraw/zinc/15/57/23/949155723.db2.gz FFIRWVJSZHWZKJ-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC001574095863 949156104 /nfs/dbraw/zinc/15/61/04/949156104.db2.gz ZOQCOSGIZICJJX-ZFWWWQNUSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC001574095863 949156117 /nfs/dbraw/zinc/15/61/17/949156117.db2.gz ZOQCOSGIZICJJX-ZFWWWQNUSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)c1ocnc1C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574447481 949162799 /nfs/dbraw/zinc/16/27/99/949162799.db2.gz PPXLRBQTHYOWFF-LLVKDONJSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574934476 949165224 /nfs/dbraw/zinc/16/52/24/949165224.db2.gz IXLPDZRFSBMSOX-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574934476 949165237 /nfs/dbraw/zinc/16/52/37/949165237.db2.gz IXLPDZRFSBMSOX-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cccnc1 ZINC001573787168 949167727 /nfs/dbraw/zinc/16/77/27/949167727.db2.gz NUZSBYMDJRCMHZ-WDNDVIMCSA-N -1 1 391.439 0.580 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cccnc1 ZINC001573787168 949167741 /nfs/dbraw/zinc/16/77/41/949167741.db2.gz NUZSBYMDJRCMHZ-WDNDVIMCSA-N -1 1 391.439 0.580 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575252638 949168367 /nfs/dbraw/zinc/16/83/67/949168367.db2.gz QOCQGVYPEUFKCR-MXWKQRLJSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575252638 949168362 /nfs/dbraw/zinc/16/83/62/949168362.db2.gz QOCQGVYPEUFKCR-MXWKQRLJSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698057 949172286 /nfs/dbraw/zinc/17/22/86/949172286.db2.gz FQHSNYOMOKROTG-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698057 949172300 /nfs/dbraw/zinc/17/23/00/949172300.db2.gz FQHSNYOMOKROTG-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574099505 949178616 /nfs/dbraw/zinc/17/86/16/949178616.db2.gz LNQONQLMYGSLQP-BXUZGUMPSA-N -1 1 391.432 0.087 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934839 949179115 /nfs/dbraw/zinc/17/91/15/949179115.db2.gz SELVLCOGOINLME-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934839 949179128 /nfs/dbraw/zinc/17/91/28/949179128.db2.gz SELVLCOGOINLME-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574935036 949191265 /nfs/dbraw/zinc/19/12/65/949191265.db2.gz XMMQBBOICTZSIM-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574935036 949191278 /nfs/dbraw/zinc/19/12/78/949191278.db2.gz XMMQBBOICTZSIM-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)(C(N)=O)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573788264 949197035 /nfs/dbraw/zinc/19/70/35/949197035.db2.gz JKZLEHNKNZYLQJ-NSHDSACASA-N -1 1 387.448 0.209 20 0 GCADMM CC(C)(C(N)=O)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573788264 949197043 /nfs/dbraw/zinc/19/70/43/949197043.db2.gz JKZLEHNKNZYLQJ-NSHDSACASA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(c2cccnc2)CC1 ZINC001575254698 949209092 /nfs/dbraw/zinc/20/90/92/949209092.db2.gz ODJHBLMWFLMJLO-NEPJUHHUSA-N -1 1 379.428 0.511 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698886 949211270 /nfs/dbraw/zinc/21/12/70/949211270.db2.gz PVJYQFHGDIAEFR-NWDGAFQWSA-N -1 1 383.416 0.200 20 0 GCADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576151311 949213585 /nfs/dbraw/zinc/21/35/85/949213585.db2.gz GFEBLSADZQFQIN-IWIIMEHWSA-N -1 1 388.432 0.520 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001575853564 949214716 /nfs/dbraw/zinc/21/47/16/949214716.db2.gz SRXWRVSIPWTRGF-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001575853564 949214735 /nfs/dbraw/zinc/21/47/35/949214735.db2.gz SRXWRVSIPWTRGF-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2cnccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574936276 949217109 /nfs/dbraw/zinc/21/71/09/949217109.db2.gz JDLICFOMNQGOGH-SNVBAGLBSA-N -1 1 378.400 0.692 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2cnccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574936276 949217130 /nfs/dbraw/zinc/21/71/30/949217130.db2.gz JDLICFOMNQGOGH-SNVBAGLBSA-N -1 1 378.400 0.692 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)COCC(F)F)CC1 ZINC001575853600 949218594 /nfs/dbraw/zinc/21/85/94/949218594.db2.gz UZIULUOPOICIHD-UHFFFAOYSA-N -1 1 382.375 0.731 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)COCC(F)F)CC1 ZINC001575853600 949218619 /nfs/dbraw/zinc/21/86/19/949218619.db2.gz UZIULUOPOICIHD-UHFFFAOYSA-N -1 1 382.375 0.731 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001575853625 949221071 /nfs/dbraw/zinc/22/10/71/949221071.db2.gz WBFKIQQARGNCPZ-LLVKDONJSA-N -1 1 385.432 0.118 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001575853625 949221092 /nfs/dbraw/zinc/22/10/92/949221092.db2.gz WBFKIQQARGNCPZ-LLVKDONJSA-N -1 1 385.432 0.118 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574451198 949223175 /nfs/dbraw/zinc/22/31/75/949223175.db2.gz GRHQPEDNDKXDHL-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1scnc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574451198 949223193 /nfs/dbraw/zinc/22/31/93/949223193.db2.gz GRHQPEDNDKXDHL-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574937335 949223935 /nfs/dbraw/zinc/22/39/35/949223935.db2.gz ONNZGAZOHYHHKJ-JTQLQIEISA-N -1 1 388.382 0.764 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574698992 949225206 /nfs/dbraw/zinc/22/52/06/949225206.db2.gz QYFVVCCYAGWORT-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574698992 949225231 /nfs/dbraw/zinc/22/52/31/949225231.db2.gz QYFVVCCYAGWORT-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574451290 949228747 /nfs/dbraw/zinc/22/87/47/949228747.db2.gz LDHAKJXCDXQTRN-XYPYZODXSA-N -1 1 383.416 0.811 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2ncccc2F)CC1 ZINC001575854462 949232651 /nfs/dbraw/zinc/23/26/51/949232651.db2.gz YDOBVFWSWMQXAZ-UHFFFAOYSA-N -1 1 383.391 0.720 20 0 GCADMM C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576151911 949238856 /nfs/dbraw/zinc/23/88/56/949238856.db2.gz GRJCJCUGRHZMKB-MQYQWHSLSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2ncccc12)CNc1nccnc1-c1nnn[n-]1 ZINC001574938458 949239960 /nfs/dbraw/zinc/23/99/60/949239960.db2.gz WMGLKLWXXXMUPA-LLVKDONJSA-N -1 1 392.427 0.940 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2ncccc12)CNc1nccnc1-c1nn[n-]n1 ZINC001574938458 949239981 /nfs/dbraw/zinc/23/99/81/949239981.db2.gz WMGLKLWXXXMUPA-LLVKDONJSA-N -1 1 392.427 0.940 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574699735 949244819 /nfs/dbraw/zinc/24/48/19/949244819.db2.gz WEJMUBNNLKHIGR-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699735 949244838 /nfs/dbraw/zinc/24/48/38/949244838.db2.gz WEJMUBNNLKHIGR-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574452274 949259238 /nfs/dbraw/zinc/25/92/38/949259238.db2.gz INPXPUGVHRGDKA-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574452274 949259265 /nfs/dbraw/zinc/25/92/65/949259265.db2.gz INPXPUGVHRGDKA-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574452459 949264341 /nfs/dbraw/zinc/26/43/41/949264341.db2.gz JUKLASUCYZDEON-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574452459 949264363 /nfs/dbraw/zinc/26/43/63/949264363.db2.gz JUKLASUCYZDEON-ZDUSSCGKSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452943 949276528 /nfs/dbraw/zinc/27/65/28/949276528.db2.gz SBGTZFPKLDXFLW-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001575857772 949276519 /nfs/dbraw/zinc/27/65/19/949276519.db2.gz VPPBYNOCOPFRIV-INIZCTEOSA-N -1 1 398.408 0.389 20 0 GCADMM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001575857772 949276542 /nfs/dbraw/zinc/27/65/42/949276542.db2.gz VPPBYNOCOPFRIV-INIZCTEOSA-N -1 1 398.408 0.389 20 0 GCADMM CC1(c2cc(NC(=O)Cn3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)no2)CCCC1 ZINC001575857731 949277790 /nfs/dbraw/zinc/27/77/90/949277790.db2.gz UJYAHBLIFZBCKM-UHFFFAOYSA-N -1 1 386.372 0.587 20 0 GCADMM CC(C)(C)C(=O)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573793064 949281906 /nfs/dbraw/zinc/28/19/06/949281906.db2.gz JTMWIDGMWCYVRW-NWDGAFQWSA-N -1 1 384.444 0.842 20 0 GCADMM C[C@@H]1CCC[C@H](OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153192 949282232 /nfs/dbraw/zinc/28/22/32/949282232.db2.gz LJBCPXLJMMHDDM-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCC[C@H](OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153192 949282252 /nfs/dbraw/zinc/28/22/52/949282252.db2.gz LJBCPXLJMMHDDM-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001575257886 949282519 /nfs/dbraw/zinc/28/25/19/949282519.db2.gz CORDSKPTNAMDCY-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001575257886 949282525 /nfs/dbraw/zinc/28/25/25/949282525.db2.gz CORDSKPTNAMDCY-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940942 949282695 /nfs/dbraw/zinc/28/26/95/949282695.db2.gz MSLSFAIIENIMLJ-LLVKDONJSA-N -1 1 380.412 0.751 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940942 949282718 /nfs/dbraw/zinc/28/27/18/949282718.db2.gz MSLSFAIIENIMLJ-LLVKDONJSA-N -1 1 380.412 0.751 20 0 GCADMM CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001573793741 949307134 /nfs/dbraw/zinc/30/71/34/949307134.db2.gz XVFIVVLLBFNFCA-SRVKXCTJSA-N -1 1 384.444 0.745 20 0 GCADMM CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001573793741 949307154 /nfs/dbraw/zinc/30/71/54/949307154.db2.gz XVFIVVLLBFNFCA-SRVKXCTJSA-N -1 1 384.444 0.745 20 0 GCADMM CC(C)(C)C(=O)C(=O)NCCOCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573793728 949308323 /nfs/dbraw/zinc/30/83/23/949308323.db2.gz XMNIDROBDLBXAI-UHFFFAOYSA-N -1 1 376.421 0.207 20 0 GCADMM CC(C)(C)C(=O)C(=O)NCCOCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573793728 949308343 /nfs/dbraw/zinc/30/83/43/949308343.db2.gz XMNIDROBDLBXAI-UHFFFAOYSA-N -1 1 376.421 0.207 20 0 GCADMM CC(C)(C)C(=O)N1CCN([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573793958 949309103 /nfs/dbraw/zinc/30/91/03/949309103.db2.gz AAPMDEQWDHJUKH-ZDUSSCGKSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575258632 949309052 /nfs/dbraw/zinc/30/90/52/949309052.db2.gz JAKHQCQERSSQFL-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575258632 949309073 /nfs/dbraw/zinc/30/90/73/949309073.db2.gz JAKHQCQERSSQFL-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575258870 949314573 /nfs/dbraw/zinc/31/45/73/949314573.db2.gz LMDXDLSKMCSAJU-RYUDHWBXSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575258870 949314593 /nfs/dbraw/zinc/31/45/93/949314593.db2.gz LMDXDLSKMCSAJU-RYUDHWBXSA-N -1 1 386.416 0.266 20 0 GCADMM CC(C)n1ccc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001574457265 949320182 /nfs/dbraw/zinc/32/01/82/949320182.db2.gz FAQUADCXXIYMIW-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001574457265 949320209 /nfs/dbraw/zinc/32/02/09/949320209.db2.gz FAQUADCXXIYMIW-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001574457358 949327023 /nfs/dbraw/zinc/32/70/23/949327023.db2.gz IORZCYQNFDMSTD-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001574458091 949339269 /nfs/dbraw/zinc/33/92/69/949339269.db2.gz OPHROKMUFOMJHQ-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001574458091 949339286 /nfs/dbraw/zinc/33/92/86/949339286.db2.gz OPHROKMUFOMJHQ-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574458673 949346548 /nfs/dbraw/zinc/34/65/48/949346548.db2.gz WZYBCZFDAUUSBO-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574458673 949346563 /nfs/dbraw/zinc/34/65/63/949346563.db2.gz WZYBCZFDAUUSBO-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001574458652 949347752 /nfs/dbraw/zinc/34/77/52/949347752.db2.gz WBSWZIXTSPOIRZ-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001574458652 949347776 /nfs/dbraw/zinc/34/77/76/949347776.db2.gz WBSWZIXTSPOIRZ-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575260119 949349790 /nfs/dbraw/zinc/34/97/90/949349790.db2.gz UWOURTWIZIMDPC-NEPJUHHUSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575260119 949349811 /nfs/dbraw/zinc/34/98/11/949349811.db2.gz UWOURTWIZIMDPC-NEPJUHHUSA-N -1 1 386.416 0.266 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574459337 949351278 /nfs/dbraw/zinc/35/12/78/949351278.db2.gz BBJYBCCEAZUKKV-ONEGZZNKSA-N -1 1 382.432 0.761 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574459337 949351299 /nfs/dbraw/zinc/35/12/99/949351299.db2.gz BBJYBCCEAZUKKV-ONEGZZNKSA-N -1 1 382.432 0.761 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574459347 949353115 /nfs/dbraw/zinc/35/31/15/949353115.db2.gz BJKXNEPPJXOCEI-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574459347 949353145 /nfs/dbraw/zinc/35/31/45/949353145.db2.gz BJKXNEPPJXOCEI-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573798411 949355146 /nfs/dbraw/zinc/35/51/46/949355146.db2.gz BDCKDNVPJDFZJV-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573798411 949355177 /nfs/dbraw/zinc/35/51/77/949355177.db2.gz BDCKDNVPJDFZJV-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574942721 949363160 /nfs/dbraw/zinc/36/31/60/949363160.db2.gz RSXPPXAKCVPTIH-ZETCQYMHSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574942721 949363182 /nfs/dbraw/zinc/36/31/82/949363182.db2.gz RSXPPXAKCVPTIH-ZETCQYMHSA-N -1 1 381.853 0.883 20 0 GCADMM CC1=NO[C@@H](CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001575865229 949369838 /nfs/dbraw/zinc/36/98/38/949369838.db2.gz KMLBJHAVOMIKKV-NWDGAFQWSA-N -1 1 386.420 0.042 20 0 GCADMM CC1=NO[C@@H](CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001575865229 949369859 /nfs/dbraw/zinc/36/98/59/949369859.db2.gz KMLBJHAVOMIKKV-NWDGAFQWSA-N -1 1 386.420 0.042 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575261025 949374175 /nfs/dbraw/zinc/37/41/75/949374175.db2.gz ZRVUERQNDYOUCJ-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575261025 949374198 /nfs/dbraw/zinc/37/41/98/949374198.db2.gz ZRVUERQNDYOUCJ-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575261023 949374767 /nfs/dbraw/zinc/37/47/67/949374767.db2.gz ZRVUERQNDYOUCJ-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575261023 949374788 /nfs/dbraw/zinc/37/47/88/949374788.db2.gz ZRVUERQNDYOUCJ-GHMZBOCLSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574943796 949380851 /nfs/dbraw/zinc/38/08/51/949380851.db2.gz YPQMQZAEPUSTCU-LBPRGKRZSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574943796 949380873 /nfs/dbraw/zinc/38/08/73/949380873.db2.gz YPQMQZAEPUSTCU-LBPRGKRZSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573800296 949387265 /nfs/dbraw/zinc/38/72/65/949387265.db2.gz WVQZOYBPLWJBFC-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573800296 949387294 /nfs/dbraw/zinc/38/72/94/949387294.db2.gz WVQZOYBPLWJBFC-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574463896 949390074 /nfs/dbraw/zinc/39/00/74/949390074.db2.gz ALIYMLYRPBQSLK-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574463896 949390098 /nfs/dbraw/zinc/39/00/98/949390098.db2.gz ALIYMLYRPBQSLK-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574464136 949399767 /nfs/dbraw/zinc/39/97/67/949399767.db2.gz GPXYQQVNLMRHDW-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574464136 949399784 /nfs/dbraw/zinc/39/97/84/949399784.db2.gz GPXYQQVNLMRHDW-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575263599 949403211 /nfs/dbraw/zinc/40/32/11/949403211.db2.gz IOAINDNRBXGICO-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575263599 949403221 /nfs/dbraw/zinc/40/32/21/949403221.db2.gz IOAINDNRBXGICO-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001575528607 949404246 /nfs/dbraw/zinc/40/42/46/949404246.db2.gz YOUDGHUNWRKACO-BETUJISGSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001575528607 949404261 /nfs/dbraw/zinc/40/42/61/949404261.db2.gz YOUDGHUNWRKACO-BETUJISGSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574464371 949410556 /nfs/dbraw/zinc/41/05/56/949410556.db2.gz MHWAJZLCCRJSCR-GFCCVEGCSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464346 949411740 /nfs/dbraw/zinc/41/17/40/949411740.db2.gz LQQPHIQUQZIBGM-LBPRGKRZSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Cc1cccs1 ZINC001574945814 949418691 /nfs/dbraw/zinc/41/86/91/949418691.db2.gz OYCCKEWFYVNZHW-VIFPVBQESA-N -1 1 375.414 0.186 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575264195 949420881 /nfs/dbraw/zinc/42/08/81/949420881.db2.gz MUFOCLWUXADKAR-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575264195 949420888 /nfs/dbraw/zinc/42/08/88/949420888.db2.gz MUFOCLWUXADKAR-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)n1cnc(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001574465045 949423851 /nfs/dbraw/zinc/42/38/51/949423851.db2.gz UPLLIYMUMWISDR-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cc1cncn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574946156 949428576 /nfs/dbraw/zinc/42/85/76/949428576.db2.gz SHNPQWNEPTWQPE-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001574465075 949429802 /nfs/dbraw/zinc/42/98/02/949429802.db2.gz WKJHSZYWNUHAGU-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001574465075 949429816 /nfs/dbraw/zinc/42/98/16/949429816.db2.gz WKJHSZYWNUHAGU-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575534855 949434683 /nfs/dbraw/zinc/43/46/83/949434683.db2.gz QWGZMXODKAQJAE-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575534855 949434699 /nfs/dbraw/zinc/43/46/99/949434699.db2.gz QWGZMXODKAQJAE-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573803286 949439511 /nfs/dbraw/zinc/43/95/11/949439511.db2.gz PVVSDOKDPFODKV-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573803286 949439524 /nfs/dbraw/zinc/43/95/24/949439524.db2.gz PVVSDOKDPFODKV-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574705910 949443784 /nfs/dbraw/zinc/44/37/84/949443784.db2.gz KMYBWMWKKIQURC-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574705910 949443805 /nfs/dbraw/zinc/44/38/05/949443805.db2.gz KMYBWMWKKIQURC-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2ccccc12)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574947063 949445235 /nfs/dbraw/zinc/44/52/35/949445235.db2.gz YVBMJNWCALMUQZ-LBPRGKRZSA-N -1 1 392.427 0.488 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2ccccc12)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574947063 949445251 /nfs/dbraw/zinc/44/52/51/949445251.db2.gz YVBMJNWCALMUQZ-LBPRGKRZSA-N -1 1 392.427 0.488 20 0 GCADMM CC1(C(=O)N2CC[C@@H](N3CCN(c4cnc(-c5nn[n-]n5)cn4)CC3)C2)CC1 ZINC001575535368 949446054 /nfs/dbraw/zinc/44/60/54/949446054.db2.gz VWNFULMCWHGVNR-CYBMUJFWSA-N -1 1 383.460 0.180 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575265535 949446329 /nfs/dbraw/zinc/44/63/29/949446329.db2.gz ULZCNNGYIWHOHH-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575265535 949446344 /nfs/dbraw/zinc/44/63/44/949446344.db2.gz ULZCNNGYIWHOHH-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575265533 949448049 /nfs/dbraw/zinc/44/80/49/949448049.db2.gz ULZCNNGYIWHOHH-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575265533 949448063 /nfs/dbraw/zinc/44/80/63/949448063.db2.gz ULZCNNGYIWHOHH-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)C1 ZINC001576156605 949449291 /nfs/dbraw/zinc/44/92/91/949449291.db2.gz YVADJYGRBSSZQB-NEPJUHHUSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)C1 ZINC001576156605 949449314 /nfs/dbraw/zinc/44/93/14/949449314.db2.gz YVADJYGRBSSZQB-NEPJUHHUSA-N -1 1 390.448 0.960 20 0 GCADMM C[C@@H](CNC(=O)Cn1cccn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574947607 949453993 /nfs/dbraw/zinc/45/39/93/949453993.db2.gz DFZXVZCLOLUMHH-QMMMGPOBSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@@H](CNC(=O)Cn1cccn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574947607 949454011 /nfs/dbraw/zinc/45/40/11/949454011.db2.gz DFZXVZCLOLUMHH-QMMMGPOBSA-N -1 1 381.853 0.814 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574468818 949466435 /nfs/dbraw/zinc/46/64/35/949466435.db2.gz SPDSINPWTDFVCE-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574948565 949467776 /nfs/dbraw/zinc/46/77/76/949467776.db2.gz LGLRYFHVSWCCKC-SSDOTTSWSA-N -1 1 382.841 0.433 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574948565 949467789 /nfs/dbraw/zinc/46/77/89/949467789.db2.gz LGLRYFHVSWCCKC-SSDOTTSWSA-N -1 1 382.841 0.433 20 0 GCADMM CC(C)n1ncc(C(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)c1Cl ZINC001574468827 949467872 /nfs/dbraw/zinc/46/78/72/949467872.db2.gz TWCCUANLLJHXMX-UHFFFAOYSA-N -1 1 390.839 0.954 20 0 GCADMM CC(C)n1ncc(C(=O)NCCN(C)c2cnc(-c3nn[n-]n3)cn2)c1Cl ZINC001574468827 949467888 /nfs/dbraw/zinc/46/78/88/949467888.db2.gz TWCCUANLLJHXMX-UHFFFAOYSA-N -1 1 390.839 0.954 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574948707 949473771 /nfs/dbraw/zinc/47/37/71/949473771.db2.gz LZYTVVCCYUYAEA-VIFPVBQESA-N -1 1 392.374 0.432 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574948707 949473782 /nfs/dbraw/zinc/47/37/82/949473782.db2.gz LZYTVVCCYUYAEA-VIFPVBQESA-N -1 1 392.374 0.432 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573804676 949476586 /nfs/dbraw/zinc/47/65/86/949476586.db2.gz ZVOFHBVQKPTSFE-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573804676 949476594 /nfs/dbraw/zinc/47/65/94/949476594.db2.gz ZVOFHBVQKPTSFE-NSHDSACASA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573804675 949476847 /nfs/dbraw/zinc/47/68/47/949476847.db2.gz ZVOFHBVQKPTSFE-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573804675 949476861 /nfs/dbraw/zinc/47/68/61/949476861.db2.gz ZVOFHBVQKPTSFE-LLVKDONJSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574469399 949480425 /nfs/dbraw/zinc/48/04/25/949480425.db2.gz CUGXOPSKBZVACM-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574469399 949480441 /nfs/dbraw/zinc/48/04/41/949480441.db2.gz CUGXOPSKBZVACM-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccon1 ZINC001576157438 949481332 /nfs/dbraw/zinc/48/13/32/949481332.db2.gz QIWTWUNKZYDAGM-PIGZYNQJSA-N -1 1 383.416 0.857 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnco1 ZINC001576157391 949481579 /nfs/dbraw/zinc/48/15/79/949481579.db2.gz QCJWGMWKPZNYFR-APPDUMDISA-N -1 1 383.416 0.857 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnco1 ZINC001576157392 949482566 /nfs/dbraw/zinc/48/25/66/949482566.db2.gz QCJWGMWKPZNYFR-DIFFPNOSSA-N -1 1 383.416 0.857 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574469859 949486423 /nfs/dbraw/zinc/48/64/23/949486423.db2.gz IRWDKAZMCYSGIX-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574469859 949486434 /nfs/dbraw/zinc/48/64/34/949486434.db2.gz IRWDKAZMCYSGIX-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001574470054 949487679 /nfs/dbraw/zinc/48/76/79/949487679.db2.gz LHENTPXFINGNET-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001574470054 949487693 /nfs/dbraw/zinc/48/76/93/949487693.db2.gz LHENTPXFINGNET-RYUDHWBXSA-N -1 1 380.416 0.537 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574470035 949491051 /nfs/dbraw/zinc/49/10/51/949491051.db2.gz LCHRBPVZDIMSKU-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574949613 949498340 /nfs/dbraw/zinc/49/83/40/949498340.db2.gz YMWFTGOFIXQFEV-QMMMGPOBSA-N -1 1 378.347 0.408 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574949613 949498353 /nfs/dbraw/zinc/49/83/53/949498353.db2.gz YMWFTGOFIXQFEV-QMMMGPOBSA-N -1 1 378.347 0.408 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574119829 949501329 /nfs/dbraw/zinc/50/13/29/949501329.db2.gz KCQWAJACGXMWNL-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574119829 949501337 /nfs/dbraw/zinc/50/13/37/949501337.db2.gz KCQWAJACGXMWNL-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574470489 949502562 /nfs/dbraw/zinc/50/25/62/949502562.db2.gz SNQJSVKQNCCKEJ-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574470489 949502580 /nfs/dbraw/zinc/50/25/80/949502580.db2.gz SNQJSVKQNCCKEJ-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574949711 949503291 /nfs/dbraw/zinc/50/32/91/949503291.db2.gz BCEXAJFBUFEADC-RQJHMYQMSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574949711 949503306 /nfs/dbraw/zinc/50/33/06/949503306.db2.gz BCEXAJFBUFEADC-RQJHMYQMSA-N -1 1 384.853 0.196 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159031 949509379 /nfs/dbraw/zinc/50/93/79/949509379.db2.gz VYRCGYLPUKFXMH-APPDUMDISA-N -1 1 382.432 0.593 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159033 949512394 /nfs/dbraw/zinc/51/23/94/949512394.db2.gz VYRCGYLPUKFXMH-GTNSWQLSSA-N -1 1 382.432 0.593 20 0 GCADMM CC(C)n1nccc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574470833 949518121 /nfs/dbraw/zinc/51/81/21/949518121.db2.gz UXIIRICSOGWWCC-UHFFFAOYSA-N -1 1 382.432 0.621 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871780 949520417 /nfs/dbraw/zinc/52/04/17/949520417.db2.gz CAMJGKBKTHUAPP-NEPJUHHUSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871780 949520432 /nfs/dbraw/zinc/52/04/32/949520432.db2.gz CAMJGKBKTHUAPP-NEPJUHHUSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871784 949520614 /nfs/dbraw/zinc/52/06/14/949520614.db2.gz CAMJGKBKTHUAPP-RYUDHWBXSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871784 949520629 /nfs/dbraw/zinc/52/06/29/949520629.db2.gz CAMJGKBKTHUAPP-RYUDHWBXSA-N -1 1 390.423 0.649 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574122001 949522829 /nfs/dbraw/zinc/52/28/29/949522829.db2.gz SMLKMUKPSMHYLY-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574122001 949522843 /nfs/dbraw/zinc/52/28/43/949522843.db2.gz SMLKMUKPSMHYLY-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949981 949525707 /nfs/dbraw/zinc/52/57/07/949525707.db2.gz ITNRZPCHPPAZIL-RQJHMYQMSA-N -1 1 384.853 0.419 20 0 GCADMM CC1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575538674 949526240 /nfs/dbraw/zinc/52/62/40/949526240.db2.gz IOTUBFQGPGJRLR-CYBMUJFWSA-N -1 1 386.460 0.546 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574122629 949529564 /nfs/dbraw/zinc/52/95/64/949529564.db2.gz ZDEJFPLGJNSKGT-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574122629 949529576 /nfs/dbraw/zinc/52/95/76/949529576.db2.gz ZDEJFPLGJNSKGT-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574122649 949529957 /nfs/dbraw/zinc/52/99/57/949529957.db2.gz ZOWHRGZUAQPCQM-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574122649 949529964 /nfs/dbraw/zinc/52/99/64/949529964.db2.gz ZOWHRGZUAQPCQM-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574122628 949533124 /nfs/dbraw/zinc/53/31/24/949533124.db2.gz ZDEJFPLGJNSKGT-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574122628 949533140 /nfs/dbraw/zinc/53/31/40/949533140.db2.gz ZDEJFPLGJNSKGT-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576163465 949534033 /nfs/dbraw/zinc/53/40/33/949534033.db2.gz BMWRRLSQJZGEMT-UKRRQHHQSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576163465 949534048 /nfs/dbraw/zinc/53/40/48/949534048.db2.gz BMWRRLSQJZGEMT-UKRRQHHQSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(=O)NCc1nc(CNc2cnc(-c3nn[n-]n3)cn2)cc(=O)[nH]1 ZINC001574123010 949535292 /nfs/dbraw/zinc/53/52/92/949535292.db2.gz AOSQHDNYOHSKOG-UHFFFAOYSA-N -1 1 384.404 0.427 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163847 949540158 /nfs/dbraw/zinc/54/01/58/949540158.db2.gz CWKFQLCOYSEVTF-NWDGAFQWSA-N -1 1 386.416 0.006 20 0 GCADMM C[C@]1(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CCOC1 ZINC001575539265 949544627 /nfs/dbraw/zinc/54/46/27/949544627.db2.gz NHIUYBGHIOBPMD-ZWKOTPCHSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@]1(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CCOC1 ZINC001575539265 949544642 /nfs/dbraw/zinc/54/46/42/949544642.db2.gz NHIUYBGHIOBPMD-ZWKOTPCHSA-N -1 1 384.444 0.512 20 0 GCADMM CC1(C(=O)N2CCC[C@H](N(CCO)c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001575539409 949546067 /nfs/dbraw/zinc/54/60/67/949546067.db2.gz PSZKRWWFXFAGLF-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC[C@H](N(CCO)c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001575539409 949546090 /nfs/dbraw/zinc/54/60/90/949546090.db2.gz PSZKRWWFXFAGLF-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575269480 949550291 /nfs/dbraw/zinc/55/02/91/949550291.db2.gz VFIOEHWYXGRZTC-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575269480 949550308 /nfs/dbraw/zinc/55/03/08/949550308.db2.gz VFIOEHWYXGRZTC-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM CC(C)CC(=O)NCc1nc(CNc2cncc(-c3nnn[n-]3)n2)cc(=O)[nH]1 ZINC001574123275 949552188 /nfs/dbraw/zinc/55/21/88/949552188.db2.gz QQYQTXZYQTZCSO-UHFFFAOYSA-N -1 1 384.404 0.427 20 0 GCADMM CC(C)CC(=O)NCc1nc(CNc2cncc(-c3nn[n-]n3)n2)cc(=O)[nH]1 ZINC001574123275 949552207 /nfs/dbraw/zinc/55/22/07/949552207.db2.gz QQYQTXZYQTZCSO-UHFFFAOYSA-N -1 1 384.404 0.427 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574711834 949562441 /nfs/dbraw/zinc/56/24/41/949562441.db2.gz MXOXQSVEBDRSRG-PHDIDXHHSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574711834 949562455 /nfs/dbraw/zinc/56/24/55/949562455.db2.gz MXOXQSVEBDRSRG-PHDIDXHHSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711911 949564660 /nfs/dbraw/zinc/56/46/60/949564660.db2.gz NXFMGTRPVXABPV-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711911 949564671 /nfs/dbraw/zinc/56/46/71/949564671.db2.gz NXFMGTRPVXABPV-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712176 949568718 /nfs/dbraw/zinc/56/87/18/949568718.db2.gz PZZKGGDQGNIKFB-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712176 949568737 /nfs/dbraw/zinc/56/87/37/949568737.db2.gz PZZKGGDQGNIKFB-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576165364 949568768 /nfs/dbraw/zinc/56/87/68/949568768.db2.gz JXEROZMTZKCQOT-MQYQWHSLSA-N -1 1 386.460 0.733 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574124387 949569277 /nfs/dbraw/zinc/56/92/77/949569277.db2.gz GEFCTKQLKHFJMW-CYBMUJFWSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873234 949572268 /nfs/dbraw/zinc/57/22/68/949572268.db2.gz AHRVOLOGAOIKSO-NXEZZACHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873234 949572281 /nfs/dbraw/zinc/57/22/81/949572281.db2.gz AHRVOLOGAOIKSO-NXEZZACHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873237 949572707 /nfs/dbraw/zinc/57/27/07/949572707.db2.gz AHRVOLOGAOIKSO-ZJUUUORDSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873237 949572734 /nfs/dbraw/zinc/57/27/34/949572734.db2.gz AHRVOLOGAOIKSO-ZJUUUORDSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574475968 949582779 /nfs/dbraw/zinc/58/27/79/949582779.db2.gz DPXQRRBOKMCQBG-QWHCGFSZSA-N -1 1 390.492 0.772 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712861 949589270 /nfs/dbraw/zinc/58/92/70/949589270.db2.gz UGGNAXNZGFFQNX-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM CC(C)C[C@@H](C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125560 949593101 /nfs/dbraw/zinc/59/31/01/949593101.db2.gz STVVWVRHLNOBJH-OLZOCXBDSA-N -1 1 384.448 0.479 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270479 949593485 /nfs/dbraw/zinc/59/34/85/949593485.db2.gz CNHBITYGHCCPNK-GHMZBOCLSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270479 949593498 /nfs/dbraw/zinc/59/34/98/949593498.db2.gz CNHBITYGHCCPNK-GHMZBOCLSA-N -1 1 375.437 0.220 20 0 GCADMM CC(C)C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125856 949597135 /nfs/dbraw/zinc/59/71/35/949597135.db2.gz UKIMVWGMRJYMPS-ZDUSSCGKSA-N -1 1 384.448 0.693 20 0 GCADMM CC(C)C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125856 949597148 /nfs/dbraw/zinc/59/71/48/949597148.db2.gz UKIMVWGMRJYMPS-ZDUSSCGKSA-N -1 1 384.448 0.693 20 0 GCADMM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575270734 949599229 /nfs/dbraw/zinc/59/92/29/949599229.db2.gz FTAGEUCTMUBRAQ-VXGBXAGGSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575270733 949600430 /nfs/dbraw/zinc/60/04/30/949600430.db2.gz FTAGEUCTMUBRAQ-RYUDHWBXSA-N -1 1 387.448 0.033 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574476500 949603165 /nfs/dbraw/zinc/60/31/65/949603165.db2.gz DFQVXDVVBDQWDN-CYBMUJFWSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574476500 949603175 /nfs/dbraw/zinc/60/31/75/949603175.db2.gz DFQVXDVVBDQWDN-CYBMUJFWSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@H]1CCCC[C@@H]1CNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576167285 949605092 /nfs/dbraw/zinc/60/50/92/949605092.db2.gz CAAFHJZFGIFVFX-WDEREUQCSA-N -1 1 376.421 0.255 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713452 949605516 /nfs/dbraw/zinc/60/55/16/949605516.db2.gz XNMCHCWDVUHBGD-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575546147 949608202 /nfs/dbraw/zinc/60/82/02/949608202.db2.gz PAPGSKRKQXZLCN-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575546147 949608213 /nfs/dbraw/zinc/60/82/13/949608213.db2.gz PAPGSKRKQXZLCN-SJCJKPOMSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCCCC(N)=O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874267 949611327 /nfs/dbraw/zinc/61/13/27/949611327.db2.gz FMPQQJIYSRMXNC-VXGBXAGGSA-N -1 1 387.448 0.176 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCCCC(N)=O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874267 949611338 /nfs/dbraw/zinc/61/13/38/949611338.db2.gz FMPQQJIYSRMXNC-VXGBXAGGSA-N -1 1 387.448 0.176 20 0 GCADMM C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575271541 949618926 /nfs/dbraw/zinc/61/89/26/949618926.db2.gz KMSLJPXEEPZFCR-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575271541 949618942 /nfs/dbraw/zinc/61/89/42/949618942.db2.gz KMSLJPXEEPZFCR-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874763 949619108 /nfs/dbraw/zinc/61/91/08/949619108.db2.gz GOAHPNSFTFTQQU-YPMHNXCESA-N -1 1 383.416 0.751 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001575546854 949619226 /nfs/dbraw/zinc/61/92/26/949619226.db2.gz SFABBIOWHZSQTO-GLJUWKHASA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001575546854 949619237 /nfs/dbraw/zinc/61/92/37/949619237.db2.gz SFABBIOWHZSQTO-GLJUWKHASA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874763 949619120 /nfs/dbraw/zinc/61/91/20/949619120.db2.gz GOAHPNSFTFTQQU-YPMHNXCESA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001576167965 949621206 /nfs/dbraw/zinc/62/12/06/949621206.db2.gz ATXVDAVQSYBRBQ-SNVBAGLBSA-N -1 1 384.487 0.855 20 0 GCADMM C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575547223 949623084 /nfs/dbraw/zinc/62/30/84/949623084.db2.gz WDRWADVNHGSHLK-FZKQIMNGSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575271770 949627877 /nfs/dbraw/zinc/62/78/77/949627877.db2.gz LWGLICUBNGBUQQ-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575271770 949627887 /nfs/dbraw/zinc/62/78/87/949627887.db2.gz LWGLICUBNGBUQQ-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574714563 949632987 /nfs/dbraw/zinc/63/29/87/949632987.db2.gz FKYAMGDKNVEOGE-RYUDHWBXSA-N -1 1 384.448 0.265 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574129286 949634544 /nfs/dbraw/zinc/63/45/44/949634544.db2.gz SKINMXNFPLILIU-LBPRGKRZSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574129286 949634559 /nfs/dbraw/zinc/63/45/59/949634559.db2.gz SKINMXNFPLILIU-LBPRGKRZSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574957877 949638086 /nfs/dbraw/zinc/63/80/86/949638086.db2.gz BPGAZLKZPDNTEU-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574957877 949638107 /nfs/dbraw/zinc/63/81/07/949638107.db2.gz BPGAZLKZPDNTEU-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1CCOCC1 ZINC001573814273 949640178 /nfs/dbraw/zinc/64/01/78/949640178.db2.gz COZBGLAFLPUFEC-ZDUSSCGKSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574477204 949641741 /nfs/dbraw/zinc/64/17/41/949641741.db2.gz LTIPRVOGUZENMM-LBPRGKRZSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574477204 949641753 /nfs/dbraw/zinc/64/17/53/949641753.db2.gz LTIPRVOGUZENMM-LBPRGKRZSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272974 949654090 /nfs/dbraw/zinc/65/40/90/949654090.db2.gz TVZILJDZPBGBIC-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272974 949654103 /nfs/dbraw/zinc/65/41/03/949654103.db2.gz TVZILJDZPBGBIC-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272759 949654770 /nfs/dbraw/zinc/65/47/70/949654770.db2.gz SNVDIDLIWXBHGS-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575272759 949654790 /nfs/dbraw/zinc/65/47/90/949654790.db2.gz SNVDIDLIWXBHGS-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CC(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(N)=O ZINC001574477442 949655874 /nfs/dbraw/zinc/65/58/74/949655874.db2.gz OCGOYQAMJUAIRD-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H](CC(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(N)=O ZINC001574477442 949655882 /nfs/dbraw/zinc/65/58/82/949655882.db2.gz OCGOYQAMJUAIRD-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169025 949657578 /nfs/dbraw/zinc/65/75/78/949657578.db2.gz DPZPPFVPRAFLBZ-GXTWGEPZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169025 949657590 /nfs/dbraw/zinc/65/75/90/949657590.db2.gz DPZPPFVPRAFLBZ-GXTWGEPZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169017 949657734 /nfs/dbraw/zinc/65/77/34/949657734.db2.gz DOHNULNWFJZDCV-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169017 949657749 /nfs/dbraw/zinc/65/77/49/949657749.db2.gz DOHNULNWFJZDCV-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575548177 949661314 /nfs/dbraw/zinc/66/13/14/949661314.db2.gz SXHSXTZNPJIBDW-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575548177 949661328 /nfs/dbraw/zinc/66/13/28/949661328.db2.gz SXHSXTZNPJIBDW-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573815898 949662626 /nfs/dbraw/zinc/66/26/26/949662626.db2.gz LTBMNYVOYZWFPV-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573815898 949662641 /nfs/dbraw/zinc/66/26/41/949662641.db2.gz LTBMNYVOYZWFPV-PWSUYJOCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573815929 949667557 /nfs/dbraw/zinc/66/75/57/949667557.db2.gz LZLLHMBWNNOUBU-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573815929 949667567 /nfs/dbraw/zinc/66/75/67/949667567.db2.gz LZLLHMBWNNOUBU-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573816121 949669080 /nfs/dbraw/zinc/66/90/80/949669080.db2.gz OMDUFFQPCOQHDA-STQMWFEESA-N -1 1 388.476 0.981 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001574477711 949674782 /nfs/dbraw/zinc/67/47/82/949674782.db2.gz QMTLEHYRUMXDSN-ZDUSSCGKSA-N -1 1 385.432 0.342 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574477711 949674801 /nfs/dbraw/zinc/67/48/01/949674801.db2.gz QMTLEHYRUMXDSN-ZDUSSCGKSA-N -1 1 385.432 0.342 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(F)CCOC1 ZINC001573816712 949684732 /nfs/dbraw/zinc/68/47/32/949684732.db2.gz UUZLLSCZRLKMLA-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(F)CCOC1 ZINC001573816712 949684745 /nfs/dbraw/zinc/68/47/45/949684745.db2.gz UUZLLSCZRLKMLA-BZNIZROVSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169561 949684847 /nfs/dbraw/zinc/68/48/47/949684847.db2.gz HEYMNKSWDUGYOK-STQMWFEESA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169561 949684862 /nfs/dbraw/zinc/68/48/62/949684862.db2.gz HEYMNKSWDUGYOK-STQMWFEESA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575274568 949686592 /nfs/dbraw/zinc/68/65/92/949686592.db2.gz AMCVXUYVBYEPHE-VHSXEESVSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575274568 949686601 /nfs/dbraw/zinc/68/66/01/949686601.db2.gz AMCVXUYVBYEPHE-VHSXEESVSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575274567 949687377 /nfs/dbraw/zinc/68/73/77/949687377.db2.gz AMCVXUYVBYEPHE-UWVGGRQHSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575274567 949687390 /nfs/dbraw/zinc/68/73/90/949687390.db2.gz AMCVXUYVBYEPHE-UWVGGRQHSA-N -1 1 390.839 0.902 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1OCCCO1 ZINC001573816947 949691256 /nfs/dbraw/zinc/69/12/56/949691256.db2.gz VWCGMCHXLNHDAE-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1OCCCO1 ZINC001573816947 949691270 /nfs/dbraw/zinc/69/12/70/949691270.db2.gz VWCGMCHXLNHDAE-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001574478125 949698444 /nfs/dbraw/zinc/69/84/44/949698444.db2.gz XTSFDVXUSWQHMD-STQMWFEESA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574478125 949698456 /nfs/dbraw/zinc/69/84/56/949698456.db2.gz XTSFDVXUSWQHMD-STQMWFEESA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001574478123 949699029 /nfs/dbraw/zinc/69/90/29/949699029.db2.gz XTSFDVXUSWQHMD-QWHCGFSZSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574478123 949699051 /nfs/dbraw/zinc/69/90/51/949699051.db2.gz XTSFDVXUSWQHMD-QWHCGFSZSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880631 949702421 /nfs/dbraw/zinc/70/24/21/949702421.db2.gz VAAUMNYAACKHHJ-TZMCWYRMSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170222 949709635 /nfs/dbraw/zinc/70/96/35/949709635.db2.gz LBYQWHVBQPOFAN-KBPBESRZSA-N -1 1 388.476 0.528 20 0 GCADMM C[C@@H](NC(=O)CCOc1ccccc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575276128 949710645 /nfs/dbraw/zinc/71/06/45/949710645.db2.gz GTXFSMAJBHRQPV-CHWSQXEVSA-N -1 1 382.428 0.853 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574478505 949713854 /nfs/dbraw/zinc/71/38/54/949713854.db2.gz ZVONKCZZKOQGLM-CHWSQXEVSA-N -1 1 385.432 0.341 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574478505 949713873 /nfs/dbraw/zinc/71/38/73/949713873.db2.gz ZVONKCZZKOQGLM-CHWSQXEVSA-N -1 1 385.432 0.341 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001573818038 949714127 /nfs/dbraw/zinc/71/41/27/949714127.db2.gz FHVBZWPFKVUGJO-LBPRGKRZSA-N -1 1 385.407 0.869 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1F ZINC001573818092 949716350 /nfs/dbraw/zinc/71/63/50/949716350.db2.gz GAUXISQDJWRGJX-NSHDSACASA-N -1 1 385.407 0.869 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881304 949718563 /nfs/dbraw/zinc/71/85/63/949718563.db2.gz XGWKVZGIEJQHRF-GXTWGEPZSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881304 949718581 /nfs/dbraw/zinc/71/85/81/949718581.db2.gz XGWKVZGIEJQHRF-GXTWGEPZSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@]1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)CCOC1 ZINC001575557380 949723003 /nfs/dbraw/zinc/72/30/03/949723003.db2.gz INBZSCHQPLUXNI-SCLBCKFNSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574478845 949724539 /nfs/dbraw/zinc/72/45/39/949724539.db2.gz BJTFICZQMDUDCO-OCCSQVGLSA-N -1 1 386.460 0.687 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574134615 949725548 /nfs/dbraw/zinc/72/55/48/949725548.db2.gz HYUUARQPSWJTNS-KBPBESRZSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574134615 949725562 /nfs/dbraw/zinc/72/55/62/949725562.db2.gz HYUUARQPSWJTNS-KBPBESRZSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cccn1 ZINC001573818228 949725839 /nfs/dbraw/zinc/72/58/39/949725839.db2.gz IQVPHOWTKHDEKA-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cccn1 ZINC001573818228 949725859 /nfs/dbraw/zinc/72/58/59/949725859.db2.gz IQVPHOWTKHDEKA-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573818233 949727135 /nfs/dbraw/zinc/72/71/35/949727135.db2.gz IRWVFBPGBGGDTA-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573818233 949727150 /nfs/dbraw/zinc/72/71/50/949727150.db2.gz IRWVFBPGBGGDTA-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881581 949727366 /nfs/dbraw/zinc/72/73/66/949727366.db2.gz ZIXPIEHMKBPGEF-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881581 949727383 /nfs/dbraw/zinc/72/73/83/949727383.db2.gz ZIXPIEHMKBPGEF-OLZOCXBDSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574961029 949736129 /nfs/dbraw/zinc/73/61/29/949736129.db2.gz ZSSZXFZFCLQBLH-FPMFFAJLSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574961029 949736142 /nfs/dbraw/zinc/73/61/42/949736142.db2.gz ZSSZXFZFCLQBLH-FPMFFAJLSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573818735 949740091 /nfs/dbraw/zinc/74/00/91/949740091.db2.gz PAWLXVWRAYLSPL-CMPLNLGQSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573818735 949740116 /nfs/dbraw/zinc/74/01/16/949740116.db2.gz PAWLXVWRAYLSPL-CMPLNLGQSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cscn1 ZINC001573818689 949741415 /nfs/dbraw/zinc/74/14/15/949741415.db2.gz OEWGSIXGNWWQIB-LLVKDONJSA-N -1 1 387.473 0.721 20 0 GCADMM C[C@@H](CC(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574480122 949742329 /nfs/dbraw/zinc/74/23/29/949742329.db2.gz GYFOKVLVSZWLCC-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574480122 949742342 /nfs/dbraw/zinc/74/23/42/949742342.db2.gz GYFOKVLVSZWLCC-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575558766 949742920 /nfs/dbraw/zinc/74/29/20/949742920.db2.gz RVMFXMMOUZHIAV-KPZWWZAWSA-N -1 1 388.476 0.838 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573818738 949744917 /nfs/dbraw/zinc/74/49/17/949744917.db2.gz PAWLXVWRAYLSPL-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573818738 949744925 /nfs/dbraw/zinc/74/49/25/949744925.db2.gz PAWLXVWRAYLSPL-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COCC(F)F ZINC001573818952 949746699 /nfs/dbraw/zinc/74/66/99/949746699.db2.gz PMCRLBMTKHEMBK-SNVBAGLBSA-N -1 1 384.391 0.881 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COCC(F)F ZINC001573818952 949746714 /nfs/dbraw/zinc/74/67/14/949746714.db2.gz PMCRLBMTKHEMBK-SNVBAGLBSA-N -1 1 384.391 0.881 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCOC1 ZINC001575558887 949748459 /nfs/dbraw/zinc/74/84/59/949748459.db2.gz TUPQLQLUEVBISQ-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCOC1 ZINC001575558887 949748477 /nfs/dbraw/zinc/74/84/77/949748477.db2.gz TUPQLQLUEVBISQ-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001576171025 949749161 /nfs/dbraw/zinc/74/91/61/949749161.db2.gz OUTHSSNTRWIRHI-NSHDSACASA-N -1 1 396.448 0.933 20 0 GCADMM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576171025 949749178 /nfs/dbraw/zinc/74/91/78/949749178.db2.gz OUTHSSNTRWIRHI-NSHDSACASA-N -1 1 396.448 0.933 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574480243 949749069 /nfs/dbraw/zinc/74/90/69/949749069.db2.gz HYBABHNNTIUFTK-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574480243 949749088 /nfs/dbraw/zinc/74/90/88/949749088.db2.gz HYBABHNNTIUFTK-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574480263 949750082 /nfs/dbraw/zinc/75/00/82/949750082.db2.gz IBKWLWZCGXMSKS-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574480263 949750093 /nfs/dbraw/zinc/75/00/93/949750093.db2.gz IBKWLWZCGXMSKS-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574480536 949754394 /nfs/dbraw/zinc/75/43/94/949754394.db2.gz JMEHUFIYDHMGHJ-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574480536 949754405 /nfs/dbraw/zinc/75/44/05/949754405.db2.gz JMEHUFIYDHMGHJ-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1OCCCO1 ZINC001573819823 949760342 /nfs/dbraw/zinc/76/03/42/949760342.db2.gz VVITZODJLRSQAU-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1OCCCO1 ZINC001573819823 949760356 /nfs/dbraw/zinc/76/03/56/949760356.db2.gz VVITZODJLRSQAU-GFCCVEGCSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574137511 949762169 /nfs/dbraw/zinc/76/21/69/949762169.db2.gz VFIPVMVTFDOICZ-UONOGXRCSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574137511 949762185 /nfs/dbraw/zinc/76/21/85/949762185.db2.gz VFIPVMVTFDOICZ-UONOGXRCSA-N -1 1 390.492 0.985 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573820682 949767004 /nfs/dbraw/zinc/76/70/04/949767004.db2.gz YSEIKAATUIQJFQ-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573820682 949767024 /nfs/dbraw/zinc/76/70/24/949767024.db2.gz YSEIKAATUIQJFQ-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574481168 949767482 /nfs/dbraw/zinc/76/74/82/949767482.db2.gz MZECCBOCQNBBII-CYBMUJFWSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575559758 949768403 /nfs/dbraw/zinc/76/84/03/949768403.db2.gz GABPKINCYQDBIF-LXQQGXESSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575559758 949768423 /nfs/dbraw/zinc/76/84/23/949768423.db2.gz GABPKINCYQDBIF-LXQQGXESSA-N -1 1 384.444 0.699 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1cn[nH]c1 ZINC001573821422 949770910 /nfs/dbraw/zinc/77/09/10/949770910.db2.gz BRSFMHHPEFVFCX-LBPRGKRZSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1cn[nH]c1 ZINC001573821422 949770927 /nfs/dbraw/zinc/77/09/27/949770927.db2.gz BRSFMHHPEFVFCX-LBPRGKRZSA-N -1 1 384.448 0.955 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574481368 949772324 /nfs/dbraw/zinc/77/23/24/949772324.db2.gz OXGNAKHROQBTFU-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574481368 949772342 /nfs/dbraw/zinc/77/23/42/949772342.db2.gz OXGNAKHROQBTFU-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171826 949780073 /nfs/dbraw/zinc/78/00/73/949780073.db2.gz SZKKXQYKACNNEH-CHWSQXEVSA-N -1 1 382.432 0.014 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575882598 949783961 /nfs/dbraw/zinc/78/39/61/949783961.db2.gz NEBJZJDADSTGHP-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575882598 949783973 /nfs/dbraw/zinc/78/39/73/949783973.db2.gz NEBJZJDADSTGHP-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574964835 949784458 /nfs/dbraw/zinc/78/44/58/949784458.db2.gz AMJCTEVSIHKTSS-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574964835 949784481 /nfs/dbraw/zinc/78/44/81/949784481.db2.gz AMJCTEVSIHKTSS-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574481514 949785605 /nfs/dbraw/zinc/78/56/05/949785605.db2.gz QQXQKKVQRXAEEQ-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574481514 949785620 /nfs/dbraw/zinc/78/56/20/949785620.db2.gz QQXQKKVQRXAEEQ-KPZWWZAWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574964753 949787276 /nfs/dbraw/zinc/78/72/76/949787276.db2.gz ZXFBVXSJEBUIEX-NKWVEPMBSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574964753 949787294 /nfs/dbraw/zinc/78/72/94/949787294.db2.gz ZXFBVXSJEBUIEX-NKWVEPMBSA-N -1 1 384.853 0.419 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574138449 949788317 /nfs/dbraw/zinc/78/83/17/949788317.db2.gz CMKBKJWFDMQNOB-FZKQIMNGSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574138449 949788337 /nfs/dbraw/zinc/78/83/37/949788337.db2.gz CMKBKJWFDMQNOB-FZKQIMNGSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573822348 949788297 /nfs/dbraw/zinc/78/82/97/949788297.db2.gz HPGLGBPKIJLVFC-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573822348 949788314 /nfs/dbraw/zinc/78/83/14/949788314.db2.gz HPGLGBPKIJLVFC-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720470 949790727 /nfs/dbraw/zinc/79/07/27/949790727.db2.gz ADBGCTPJMZKALS-LLVKDONJSA-N -1 1 383.416 0.071 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574965282 949795243 /nfs/dbraw/zinc/79/52/43/949795243.db2.gz FMARQSCQGBYZNH-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574965282 949795261 /nfs/dbraw/zinc/79/52/61/949795261.db2.gz FMARQSCQGBYZNH-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882888 949796967 /nfs/dbraw/zinc/79/69/67/949796967.db2.gz ORYXXQCOHCFBIY-PWSUYJOCSA-N -1 1 385.457 0.829 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573822567 949798827 /nfs/dbraw/zinc/79/88/27/949798827.db2.gz JUDCNFLOQMBCLP-QWRGUYRKSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573822567 949798842 /nfs/dbraw/zinc/79/88/42/949798842.db2.gz JUDCNFLOQMBCLP-QWRGUYRKSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573822747 949800909 /nfs/dbraw/zinc/80/09/09/949800909.db2.gz LZGDURYWEQUUFT-WDEREUQCSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573822747 949800929 /nfs/dbraw/zinc/80/09/29/949800929.db2.gz LZGDURYWEQUUFT-WDEREUQCSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573822745 949801741 /nfs/dbraw/zinc/80/17/41/949801741.db2.gz LZGDURYWEQUUFT-MNOVXSKESA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573822745 949801766 /nfs/dbraw/zinc/80/17/66/949801766.db2.gz LZGDURYWEQUUFT-MNOVXSKESA-N -1 1 388.432 0.553 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)COCc1ccncc1 ZINC001575281309 949808028 /nfs/dbraw/zinc/80/80/28/949808028.db2.gz FOEPFRDLUATGRF-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)COCc1ccncc1 ZINC001575281309 949808054 /nfs/dbraw/zinc/80/80/54/949808054.db2.gz FOEPFRDLUATGRF-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574481934 949808413 /nfs/dbraw/zinc/80/84/13/949808413.db2.gz XSDGEZNHKXHHSF-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574481934 949808431 /nfs/dbraw/zinc/80/84/31/949808431.db2.gz XSDGEZNHKXHHSF-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574965708 949811884 /nfs/dbraw/zinc/81/18/84/949811884.db2.gz JYJATVYCQUKGLI-QYNIQEEDSA-N -1 1 384.853 0.039 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574721124 949812463 /nfs/dbraw/zinc/81/24/63/949812463.db2.gz JKFTVMSQVUMLNF-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574721124 949812482 /nfs/dbraw/zinc/81/24/82/949812482.db2.gz JKFTVMSQVUMLNF-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM CC1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001575562165 949820233 /nfs/dbraw/zinc/82/02/33/949820233.db2.gz DXBPBBAHUSBBIZ-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574965900 949820985 /nfs/dbraw/zinc/82/09/85/949820985.db2.gz OIOJFRRFLKGIFG-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574965900 949821012 /nfs/dbraw/zinc/82/10/12/949821012.db2.gz OIOJFRRFLKGIFG-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575281895 949822294 /nfs/dbraw/zinc/82/22/94/949822294.db2.gz HVHLVXNRTCBRTK-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575281895 949822308 /nfs/dbraw/zinc/82/23/08/949822308.db2.gz HVHLVXNRTCBRTK-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722119 949824293 /nfs/dbraw/zinc/82/42/93/949824293.db2.gz PKLDCIDKVYSQAM-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722119 949824317 /nfs/dbraw/zinc/82/43/17/949824317.db2.gz PKLDCIDKVYSQAM-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001574483627 949834312 /nfs/dbraw/zinc/83/43/12/949834312.db2.gz GHPBMJOHHSVOJJ-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001574483627 949834331 /nfs/dbraw/zinc/83/43/31/949834331.db2.gz GHPBMJOHHSVOJJ-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575883978 949837366 /nfs/dbraw/zinc/83/73/66/949837366.db2.gz UBSMBUKPZKFCMB-AAEUAGOBSA-N -1 1 382.432 0.106 20 0 GCADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575563417 949838287 /nfs/dbraw/zinc/83/82/87/949838287.db2.gz KIGDLBIQEKPMFH-STQMWFEESA-N -1 1 386.460 0.592 20 0 GCADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575563403 949839201 /nfs/dbraw/zinc/83/92/01/949839201.db2.gz KIGDLBIQEKPMFH-CHWSQXEVSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574722871 949845877 /nfs/dbraw/zinc/84/58/77/949845877.db2.gz XJODEDGUYNQQPD-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574722871 949845901 /nfs/dbraw/zinc/84/59/01/949845901.db2.gz XJODEDGUYNQQPD-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574483962 949849568 /nfs/dbraw/zinc/84/95/68/949849568.db2.gz AONXUJZIRRPILP-STQMWFEESA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001574483920 949850292 /nfs/dbraw/zinc/85/02/92/949850292.db2.gz QCJDNTFNBHGYRM-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001574483920 949850309 /nfs/dbraw/zinc/85/03/09/949850309.db2.gz QCJDNTFNBHGYRM-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576177678 949855103 /nfs/dbraw/zinc/85/51/03/949855103.db2.gz AIKNVDIGXMWKRG-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576177678 949855130 /nfs/dbraw/zinc/85/51/30/949855130.db2.gz AIKNVDIGXMWKRG-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575283030 949856751 /nfs/dbraw/zinc/85/67/51/949856751.db2.gz MQQJTGLQYOMSAF-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575283030 949856761 /nfs/dbraw/zinc/85/67/61/949856761.db2.gz MQQJTGLQYOMSAF-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574723650 949856994 /nfs/dbraw/zinc/85/69/94/949856994.db2.gz ANBCXFIANKPIRO-JTQLQIEISA-N -1 1 390.839 0.278 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3ccnc(-c4nn[n-]n4)n3)(C1)C2 ZINC001573825201 949865293 /nfs/dbraw/zinc/86/52/93/949865293.db2.gz MRWVEUNLQUAIFS-NVWNAPEYSA-N -1 1 386.460 0.184 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574724058 949866849 /nfs/dbraw/zinc/86/68/49/949866849.db2.gz FBNWUQRNZVKYHI-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574724058 949866872 /nfs/dbraw/zinc/86/68/72/949866872.db2.gz FBNWUQRNZVKYHI-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1nccs1 ZINC001574724327 949869709 /nfs/dbraw/zinc/86/97/09/949869709.db2.gz HBWXGRWYROGQGI-SECBINFHSA-N -1 1 390.429 0.238 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1[O-] ZINC001575885629 949872518 /nfs/dbraw/zinc/87/25/18/949872518.db2.gz KKZMGUBSCSXHSL-KOLCDFICSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178002 949872925 /nfs/dbraw/zinc/87/29/25/949872925.db2.gz AITMVEFHYBWSNW-YPMHNXCESA-N -1 1 380.416 0.221 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccncc1 ZINC001574484297 949875805 /nfs/dbraw/zinc/87/58/05/949875805.db2.gz YDGRTRPDZONVKO-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3ccnc(-c4nn[n-]n4)n3)(C1)C2 ZINC001573825440 949877007 /nfs/dbraw/zinc/87/70/07/949877007.db2.gz VUAORSVOWDGAIV-IPPDQLOFSA-N -1 1 386.460 0.184 20 0 GCADMM C[C@@H](CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccncc1 ZINC001574484298 949876816 /nfs/dbraw/zinc/87/68/16/949876816.db2.gz YDGRTRPDZONVKO-ZDUSSCGKSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178023 949878680 /nfs/dbraw/zinc/87/86/80/949878680.db2.gz AOPJLWNIOBXVKH-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178023 949878703 /nfs/dbraw/zinc/87/87/03/949878703.db2.gz AOPJLWNIOBXVKH-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178196 949880015 /nfs/dbraw/zinc/88/00/15/949880015.db2.gz GEWDHEWROWNBHQ-KOLCDFICSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178196 949880037 /nfs/dbraw/zinc/88/00/37/949880037.db2.gz GEWDHEWROWNBHQ-KOLCDFICSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](CNC(=O)c1c2ccccc2nn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574967942 949880139 /nfs/dbraw/zinc/88/01/39/949880139.db2.gz KEIVHNFGLDJCFU-LLVKDONJSA-N -1 1 392.427 0.443 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)n21 ZINC001576178194 949881554 /nfs/dbraw/zinc/88/15/54/949881554.db2.gz GCRYHMBQILWYHC-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)NCCN(C)c3cnc(-c4nn[n-]n4)cn3)n21 ZINC001576178194 949881579 /nfs/dbraw/zinc/88/15/79/949881579.db2.gz GCRYHMBQILWYHC-NSHDSACASA-N -1 1 382.432 0.617 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575886571 949885530 /nfs/dbraw/zinc/88/55/30/949885530.db2.gz MYPXCADDFVEIGM-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178493 949885909 /nfs/dbraw/zinc/88/59/09/949885909.db2.gz BRYUHSRQRKMPAC-PWSUYJOCSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COc1ccccc1F ZINC001575284004 949889793 /nfs/dbraw/zinc/88/97/93/949889793.db2.gz SLFDSXTUWDIGPO-MNOVXSKESA-N -1 1 386.391 0.602 20 0 GCADMM CCCCn1c(N)c(N(CC)C(=O)CN(C)C[C@@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC001589667091 949898268 /nfs/dbraw/zinc/89/82/68/949898268.db2.gz HFCXCHFLRMOAJX-LLVKDONJSA-N -1 1 383.449 0.337 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001574484726 949898810 /nfs/dbraw/zinc/89/88/10/949898810.db2.gz MRHMYWVZSJIRNI-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001574484726 949898833 /nfs/dbraw/zinc/89/88/33/949898833.db2.gz MRHMYWVZSJIRNI-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573826035 949898788 /nfs/dbraw/zinc/89/87/88/949898788.db2.gz FISCNLRJJWDRSX-RYUDHWBXSA-N -1 1 375.433 0.850 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574484830 949902377 /nfs/dbraw/zinc/90/23/77/949902377.db2.gz PEXIJVXJADBJAT-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574484830 949902402 /nfs/dbraw/zinc/90/24/02/949902402.db2.gz PEXIJVXJADBJAT-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284472 949905583 /nfs/dbraw/zinc/90/55/83/949905583.db2.gz ISDOXORCKHILCS-NEPJUHHUSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284472 949905608 /nfs/dbraw/zinc/90/56/08/949905608.db2.gz ISDOXORCKHILCS-NEPJUHHUSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574484875 949909847 /nfs/dbraw/zinc/90/98/47/949909847.db2.gz QKENAGAGUGFBRF-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574484875 949909872 /nfs/dbraw/zinc/90/98/72/949909872.db2.gz QKENAGAGUGFBRF-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574484931 949910179 /nfs/dbraw/zinc/91/01/79/949910179.db2.gz RYPHMJOYNBYOMT-KBPBESRZSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001574484958 949912633 /nfs/dbraw/zinc/91/26/33/949912633.db2.gz SJKUPTGWFOROCV-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001574484958 949912651 /nfs/dbraw/zinc/91/26/51/949912651.db2.gz SJKUPTGWFOROCV-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574484977 949913466 /nfs/dbraw/zinc/91/34/66/949913466.db2.gz SXAGWDIQFJEDRP-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574484978 949915590 /nfs/dbraw/zinc/91/55/90/949915590.db2.gz SXAGWDIQFJEDRP-ZDUSSCGKSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)N(C)CCNc3cnc(-c4nnn[n-]4)cn3)n21 ZINC001576179415 949916299 /nfs/dbraw/zinc/91/62/99/949916299.db2.gz LEZHXTATPPGGCQ-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM C[C@H]1CCCc2ncc(C(=O)N(C)CCNc3cnc(-c4nn[n-]n4)cn3)n21 ZINC001576179415 949916312 /nfs/dbraw/zinc/91/63/12/949916312.db2.gz LEZHXTATPPGGCQ-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]2O)CC1 ZINC001575569540 949919557 /nfs/dbraw/zinc/91/95/57/949919557.db2.gz KUGBCBPHMACJFF-JGVFFNPUSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]2O)CC1 ZINC001575569540 949919574 /nfs/dbraw/zinc/91/95/74/949919574.db2.gz KUGBCBPHMACJFF-JGVFFNPUSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576179694 949921265 /nfs/dbraw/zinc/92/12/65/949921265.db2.gz BVQOHCPVYPQDBN-JSGCOSHPSA-N -1 1 382.428 0.811 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179853 949930890 /nfs/dbraw/zinc/93/08/90/949930890.db2.gz MFZDZOBJMXIZAH-SKDRFNHKSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179853 949930908 /nfs/dbraw/zinc/93/09/08/949930908.db2.gz MFZDZOBJMXIZAH-SKDRFNHKSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001575285067 949933613 /nfs/dbraw/zinc/93/36/13/949933613.db2.gz XVELUKWQWBESPV-ZJUUUORDSA-N -1 1 383.416 0.492 20 0 GCADMM C[C@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575285134 949936459 /nfs/dbraw/zinc/93/64/59/949936459.db2.gz ZBTHFHZJXXCVCO-QWRGUYRKSA-N -1 1 386.391 0.602 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180093 949939364 /nfs/dbraw/zinc/93/93/64/949939364.db2.gz BWJRWAHCZQZXJH-TZMCWYRMSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180093 949939382 /nfs/dbraw/zinc/93/93/82/949939382.db2.gz BWJRWAHCZQZXJH-TZMCWYRMSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574488053 949941361 /nfs/dbraw/zinc/94/13/61/949941361.db2.gz CSZBLXLPPDMRAO-AGIUHOORSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574488053 949941382 /nfs/dbraw/zinc/94/13/82/949941382.db2.gz CSZBLXLPPDMRAO-AGIUHOORSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574727019 949948966 /nfs/dbraw/zinc/94/89/66/949948966.db2.gz NISZUPCFYLFWGM-NSHDSACASA-N -1 1 386.391 0.556 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CCCCC1 ZINC001575571241 949952272 /nfs/dbraw/zinc/95/22/72/949952272.db2.gz ZDUVWTLHCFUWOE-OCCSQVGLSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CCCCC1 ZINC001575571241 949952287 /nfs/dbraw/zinc/95/22/87/949952287.db2.gz ZDUVWTLHCFUWOE-OCCSQVGLSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574488442 949952594 /nfs/dbraw/zinc/95/25/94/949952594.db2.gz GFRADVRQLVGJDK-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574488442 949952622 /nfs/dbraw/zinc/95/26/22/949952622.db2.gz GFRADVRQLVGJDK-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575285775 949956354 /nfs/dbraw/zinc/95/63/54/949956354.db2.gz QONDPFKGFCQLLU-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575285775 949956368 /nfs/dbraw/zinc/95/63/68/949956368.db2.gz QONDPFKGFCQLLU-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575285710 949958333 /nfs/dbraw/zinc/95/83/33/949958333.db2.gz QGKBYXYXLFDXNM-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575285710 949958349 /nfs/dbraw/zinc/95/83/49/949958349.db2.gz QGKBYXYXLFDXNM-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180556 949959502 /nfs/dbraw/zinc/95/95/02/949959502.db2.gz FDAFUCACPAIZPZ-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180556 949959521 /nfs/dbraw/zinc/95/95/21/949959521.db2.gz FDAFUCACPAIZPZ-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180525 949959948 /nfs/dbraw/zinc/95/99/48/949959948.db2.gz DYDJTRPGOYXWIV-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180525 949959969 /nfs/dbraw/zinc/95/99/69/949959969.db2.gz DYDJTRPGOYXWIV-GXTWGEPZSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180573 949961567 /nfs/dbraw/zinc/96/15/67/949961567.db2.gz FGNCQTPVKKODKW-AAEUAGOBSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180573 949961584 /nfs/dbraw/zinc/96/15/84/949961584.db2.gz FGNCQTPVKKODKW-AAEUAGOBSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727442 949964490 /nfs/dbraw/zinc/96/44/90/949964490.db2.gz SWLZPVGLLUFCAD-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727442 949964512 /nfs/dbraw/zinc/96/45/12/949964512.db2.gz SWLZPVGLLUFCAD-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](CO)Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCOC1 ZINC001575571955 949965730 /nfs/dbraw/zinc/96/57/30/949965730.db2.gz BQFOSWJXBGFOGK-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H](CO)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCOC1 ZINC001575571955 949965747 /nfs/dbraw/zinc/96/57/47/949965747.db2.gz BQFOSWJXBGFOGK-WPPNPWJKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180576 949966041 /nfs/dbraw/zinc/96/60/41/949966041.db2.gz FGNCQTPVKKODKW-WCQYABFASA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180576 949966063 /nfs/dbraw/zinc/96/60/63/949966063.db2.gz FGNCQTPVKKODKW-WCQYABFASA-N -1 1 383.416 0.784 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001573829972 949966777 /nfs/dbraw/zinc/96/67/77/949966777.db2.gz GFFBLKKMHVICGW-CYBMUJFWSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001573829972 949966793 /nfs/dbraw/zinc/96/67/93/949966793.db2.gz GFFBLKKMHVICGW-CYBMUJFWSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727566 949969308 /nfs/dbraw/zinc/96/93/08/949969308.db2.gz VIQGCWSIGGQKCH-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727566 949969320 /nfs/dbraw/zinc/96/93/20/949969320.db2.gz VIQGCWSIGGQKCH-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575286394 949978597 /nfs/dbraw/zinc/97/85/97/949978597.db2.gz VVJBKDPKTKUUQN-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575286394 949978614 /nfs/dbraw/zinc/97/86/14/949978614.db2.gz VVJBKDPKTKUUQN-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180951 949979018 /nfs/dbraw/zinc/97/90/18/949979018.db2.gz KJUANXFSPRJGCY-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180951 949979040 /nfs/dbraw/zinc/97/90/40/949979040.db2.gz KJUANXFSPRJGCY-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180953 949979845 /nfs/dbraw/zinc/97/98/45/949979845.db2.gz KJZBWLRGSOUQAE-NXEZZACHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180953 949979859 /nfs/dbraw/zinc/97/98/59/949979859.db2.gz KJZBWLRGSOUQAE-NXEZZACHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574490232 949985618 /nfs/dbraw/zinc/98/56/18/949985618.db2.gz PGMOZRDODQGRCT-RDBSUJKOSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574490232 949985632 /nfs/dbraw/zinc/98/56/32/949985632.db2.gz PGMOZRDODQGRCT-RDBSUJKOSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574490355 949990670 /nfs/dbraw/zinc/99/06/70/949990670.db2.gz QENRAVFNBHCPIN-RISCZKNCSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574490355 949990684 /nfs/dbraw/zinc/99/06/84/949990684.db2.gz QENRAVFNBHCPIN-RISCZKNCSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181232 949992138 /nfs/dbraw/zinc/99/21/38/949992138.db2.gz KYXUEGPUTOQECS-ZWNOBZJWSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181232 949992159 /nfs/dbraw/zinc/99/21/59/949992159.db2.gz KYXUEGPUTOQECS-ZWNOBZJWSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181203 949992872 /nfs/dbraw/zinc/99/28/72/949992872.db2.gz KOSRECPKCCLVCU-MFKMUULPSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181203 949992889 /nfs/dbraw/zinc/99/28/89/949992889.db2.gz KOSRECPKCCLVCU-MFKMUULPSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891354 950000794 /nfs/dbraw/zinc/00/07/94/950000794.db2.gz IRQKRKMEUJCDEY-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891354 950000816 /nfs/dbraw/zinc/00/08/16/950000816.db2.gz IRQKRKMEUJCDEY-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181336 950001052 /nfs/dbraw/zinc/00/10/52/950001052.db2.gz LTTWYBXPYAPWMQ-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181336 950001071 /nfs/dbraw/zinc/00/10/71/950001071.db2.gz LTTWYBXPYAPWMQ-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001573831432 950001892 /nfs/dbraw/zinc/00/18/92/950001892.db2.gz YGIUSEVCBQLAQF-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001573831432 950001911 /nfs/dbraw/zinc/00/19/11/950001911.db2.gz YGIUSEVCBQLAQF-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574490572 950002506 /nfs/dbraw/zinc/00/25/06/950002506.db2.gz VJUPLKOPZXKBGH-DGCLKSJQSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181338 950004646 /nfs/dbraw/zinc/00/46/46/950004646.db2.gz TXFFEEOOJIOCDF-JQWIXIFHSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181781 950018465 /nfs/dbraw/zinc/01/84/65/950018465.db2.gz JORFWGQKGTYHKA-OCCSQVGLSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181781 950018488 /nfs/dbraw/zinc/01/84/88/950018488.db2.gz JORFWGQKGTYHKA-OCCSQVGLSA-N -1 1 384.444 0.900 20 0 GCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575574579 950021798 /nfs/dbraw/zinc/02/17/98/950021798.db2.gz WZWANOHXLFRMKQ-ACJLOTCBSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575574579 950021819 /nfs/dbraw/zinc/02/18/19/950021819.db2.gz WZWANOHXLFRMKQ-ACJLOTCBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574491414 950032988 /nfs/dbraw/zinc/03/29/88/950032988.db2.gz COJLZEMLZCQJPQ-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574491414 950033010 /nfs/dbraw/zinc/03/30/10/950033010.db2.gz COJLZEMLZCQJPQ-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)CCNC(=O)C1 ZINC001575574898 950034681 /nfs/dbraw/zinc/03/46/81/950034681.db2.gz BJTNCODCQPNZDP-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)CCNC(=O)C1 ZINC001575574898 950034700 /nfs/dbraw/zinc/03/47/00/950034700.db2.gz BJTNCODCQPNZDP-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182165 950038738 /nfs/dbraw/zinc/03/87/38/950038738.db2.gz YESDJDGRSCVLQL-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182165 950038761 /nfs/dbraw/zinc/03/87/61/950038761.db2.gz YESDJDGRSCVLQL-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892058 950050317 /nfs/dbraw/zinc/05/03/17/950050317.db2.gz RATFASBFOPUPCU-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892058 950050341 /nfs/dbraw/zinc/05/03/41/950050341.db2.gz RATFASBFOPUPCU-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182501 950054957 /nfs/dbraw/zinc/05/49/57/950054957.db2.gz MNABNYKWPPVKFY-NEPJUHHUSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182501 950054980 /nfs/dbraw/zinc/05/49/80/950054980.db2.gz MNABNYKWPPVKFY-NEPJUHHUSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182634 950060690 /nfs/dbraw/zinc/06/06/90/950060690.db2.gz OUAIHFDGUVRWQZ-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182634 950060713 /nfs/dbraw/zinc/06/07/13/950060713.db2.gz OUAIHFDGUVRWQZ-DGCLKSJQSA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573836013 950066837 /nfs/dbraw/zinc/06/68/37/950066837.db2.gz DFVCDDRHZVWJST-UHFFFAOYSA-N -1 1 391.501 0.781 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182928 950070917 /nfs/dbraw/zinc/07/09/17/950070917.db2.gz PZOKKMLKCQAHJU-MWLCHTKSSA-N -1 1 386.445 0.283 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573836165 950073093 /nfs/dbraw/zinc/07/30/93/950073093.db2.gz GSIAOANVQNZUJJ-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573836165 950073112 /nfs/dbraw/zinc/07/31/12/950073112.db2.gz GSIAOANVQNZUJJ-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001574492325 950078291 /nfs/dbraw/zinc/07/82/91/950078291.db2.gz AJHKKINFSHVRDK-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574492325 950078308 /nfs/dbraw/zinc/07/83/08/950078308.db2.gz AJHKKINFSHVRDK-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575892627 950079463 /nfs/dbraw/zinc/07/94/63/950079463.db2.gz YNXJCAWCZWIYJU-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575892627 950079483 /nfs/dbraw/zinc/07/94/83/950079483.db2.gz YNXJCAWCZWIYJU-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574492441 950083057 /nfs/dbraw/zinc/08/30/57/950083057.db2.gz MURMWPKOQKMLLL-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574492441 950083073 /nfs/dbraw/zinc/08/30/73/950083073.db2.gz MURMWPKOQKMLLL-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574732969 950085102 /nfs/dbraw/zinc/08/51/02/950085102.db2.gz ODVJRWKANRHMSN-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574732969 950085114 /nfs/dbraw/zinc/08/51/14/950085114.db2.gz ODVJRWKANRHMSN-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573836821 950092119 /nfs/dbraw/zinc/09/21/19/950092119.db2.gz RYQLMFQVBMKOKA-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573836821 950092146 /nfs/dbraw/zinc/09/21/46/950092146.db2.gz RYQLMFQVBMKOKA-XYPYZODXSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733011 950092530 /nfs/dbraw/zinc/09/25/30/950092530.db2.gz PQDFBOINOUEDRC-ZCFIWIBFSA-N -1 1 382.841 0.596 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733017 950093491 /nfs/dbraw/zinc/09/34/91/950093491.db2.gz PUTDJSXESRBDFA-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733017 950093516 /nfs/dbraw/zinc/09/35/16/950093516.db2.gz PUTDJSXESRBDFA-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCOCC2)CCOC1 ZINC001575582084 950097407 /nfs/dbraw/zinc/09/74/07/950097407.db2.gz DOCAFFUIYKWFNV-MRXNPFEDSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCOCC2)CCOC1 ZINC001575582084 950097421 /nfs/dbraw/zinc/09/74/21/950097421.db2.gz DOCAFFUIYKWFNV-MRXNPFEDSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCOCC2)CCOC1 ZINC001575582083 950099723 /nfs/dbraw/zinc/09/97/23/950099723.db2.gz DOCAFFUIYKWFNV-INIZCTEOSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCOCC2)CCOC1 ZINC001575582083 950099745 /nfs/dbraw/zinc/09/97/45/950099745.db2.gz DOCAFFUIYKWFNV-INIZCTEOSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@H](CC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574492731 950102232 /nfs/dbraw/zinc/10/22/32/950102232.db2.gz PKPBOWTXHCHTFD-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574492731 950102246 /nfs/dbraw/zinc/10/22/46/950102246.db2.gz PKPBOWTXHCHTFD-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733163 950102693 /nfs/dbraw/zinc/10/26/93/950102693.db2.gz UKMLKXAOSSEUBT-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733163 950102704 /nfs/dbraw/zinc/10/27/04/950102704.db2.gz UKMLKXAOSSEUBT-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574492749 950102751 /nfs/dbraw/zinc/10/27/51/950102751.db2.gz CIAQIJYKENVGDU-SCZZXKLOSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183804 950105090 /nfs/dbraw/zinc/10/50/90/950105090.db2.gz REMXBYBDVDMNLA-DGCLKSJQSA-N -1 1 383.416 0.206 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733261 950105315 /nfs/dbraw/zinc/10/53/15/950105315.db2.gz XAHNTRZVSFKJKO-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733261 950105326 /nfs/dbraw/zinc/10/53/26/950105326.db2.gz XAHNTRZVSFKJKO-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184005 950110564 /nfs/dbraw/zinc/11/05/64/950110564.db2.gz VBKHWKVTFOUREC-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184005 950110575 /nfs/dbraw/zinc/11/05/75/950110575.db2.gz VBKHWKVTFOUREC-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574492995 950114428 /nfs/dbraw/zinc/11/44/28/950114428.db2.gz QDZORJVVWHUKLQ-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574492995 950114442 /nfs/dbraw/zinc/11/44/42/950114442.db2.gz QDZORJVVWHUKLQ-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184281 950125199 /nfs/dbraw/zinc/12/51/99/950125199.db2.gz VTJIRNLTCQTBHJ-MFKMUULPSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184281 950125205 /nfs/dbraw/zinc/12/52/05/950125205.db2.gz VTJIRNLTCQTBHJ-MFKMUULPSA-N -1 1 383.420 0.138 20 0 GCADMM CC1(C(=O)NC[C@]2(O)CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)CC1 ZINC001575582646 950126237 /nfs/dbraw/zinc/12/62/37/950126237.db2.gz LWOHHOAGZHVJOT-CQSZACIVSA-N -1 1 383.865 0.834 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184386 950130564 /nfs/dbraw/zinc/13/05/64/950130564.db2.gz VGUHEEBPJODASR-RYUDHWBXSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184386 950130572 /nfs/dbraw/zinc/13/05/72/950130572.db2.gz VGUHEEBPJODASR-RYUDHWBXSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574734212 950131496 /nfs/dbraw/zinc/13/14/96/950131496.db2.gz KUHDQCRNFPTAHG-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493517 950132418 /nfs/dbraw/zinc/13/24/18/950132418.db2.gz SZADYCBSRFRSLZ-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493517 950132434 /nfs/dbraw/zinc/13/24/34/950132434.db2.gz SZADYCBSRFRSLZ-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575582940 950134817 /nfs/dbraw/zinc/13/48/17/950134817.db2.gz IWSQMQFVODAEOA-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575582940 950134826 /nfs/dbraw/zinc/13/48/26/950134826.db2.gz IWSQMQFVODAEOA-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184740 950140979 /nfs/dbraw/zinc/14/09/79/950140979.db2.gz XJTQZGQBSIAVRZ-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184740 950140990 /nfs/dbraw/zinc/14/09/90/950140990.db2.gz XJTQZGQBSIAVRZ-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CCCOC1 ZINC001575583275 950141168 /nfs/dbraw/zinc/14/11/68/950141168.db2.gz KWFHVDQASXRBLW-JWXAPSBJSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574493990 950146321 /nfs/dbraw/zinc/14/63/21/950146321.db2.gz WGLZSQBPARECFA-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574493990 950146336 /nfs/dbraw/zinc/14/63/36/950146336.db2.gz WGLZSQBPARECFA-SJKOYZFVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184937 950146497 /nfs/dbraw/zinc/14/64/97/950146497.db2.gz YRJUSZRKJMPHPJ-NWDGAFQWSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184937 950146515 /nfs/dbraw/zinc/14/65/15/950146515.db2.gz YRJUSZRKJMPHPJ-NWDGAFQWSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575583586 950146900 /nfs/dbraw/zinc/14/69/00/950146900.db2.gz MHXGQJNZXSAONN-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575583586 950146906 /nfs/dbraw/zinc/14/69/06/950146906.db2.gz MHXGQJNZXSAONN-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184939 950147063 /nfs/dbraw/zinc/14/70/63/950147063.db2.gz YRJUSZRKJMPHPJ-VXGBXAGGSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184939 950147076 /nfs/dbraw/zinc/14/70/76/950147076.db2.gz YRJUSZRKJMPHPJ-VXGBXAGGSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575583595 950149959 /nfs/dbraw/zinc/14/99/59/950149959.db2.gz MJWQCWFXWPXYSW-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575583595 950149974 /nfs/dbraw/zinc/14/99/74/950149974.db2.gz MJWQCWFXWPXYSW-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574494155 950150562 /nfs/dbraw/zinc/15/05/62/950150562.db2.gz XFZDTZWFWMAZSW-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574494155 950150578 /nfs/dbraw/zinc/15/05/78/950150578.db2.gz XFZDTZWFWMAZSW-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574494119 950150989 /nfs/dbraw/zinc/15/09/89/950150989.db2.gz WWIAVXNEJXZYPG-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574494119 950151004 /nfs/dbraw/zinc/15/10/04/950151004.db2.gz WWIAVXNEJXZYPG-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184989 950152645 /nfs/dbraw/zinc/15/26/45/950152645.db2.gz YAPPTNNYNXMSKX-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184989 950152658 /nfs/dbraw/zinc/15/26/58/950152658.db2.gz YAPPTNNYNXMSKX-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576185005 950152730 /nfs/dbraw/zinc/15/27/30/950152730.db2.gz YJERWWIAVFCVFF-WCQYABFASA-N -1 1 382.432 0.165 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576185047 950154840 /nfs/dbraw/zinc/15/48/40/950154840.db2.gz ZBEJWHWFUYLQCP-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576185047 950154851 /nfs/dbraw/zinc/15/48/51/950154851.db2.gz ZBEJWHWFUYLQCP-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734966 950155966 /nfs/dbraw/zinc/15/59/66/950155966.db2.gz WAETYBGHISANFD-KWCYVHTRSA-N -1 1 386.460 0.400 20 0 GCADMM C[C@H](CNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574982339 950160028 /nfs/dbraw/zinc/16/00/28/950160028.db2.gz BPNDSMGUGUYAJO-LLVKDONJSA-N -1 1 390.411 0.699 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1ccnn1 ZINC001574154128 950163964 /nfs/dbraw/zinc/16/39/64/950163964.db2.gz BTAGUMXMSOBYTR-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1ccnn1 ZINC001574154128 950163975 /nfs/dbraw/zinc/16/39/75/950163975.db2.gz BTAGUMXMSOBYTR-GFCCVEGCSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574494478 950166048 /nfs/dbraw/zinc/16/60/48/950166048.db2.gz ZMFVOJBUDPRIQN-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574494478 950166062 /nfs/dbraw/zinc/16/60/62/950166062.db2.gz ZMFVOJBUDPRIQN-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnn(C)c1N ZINC001574154117 950166717 /nfs/dbraw/zinc/16/67/17/950166717.db2.gz BLDKHXVWGJRHTJ-SNVBAGLBSA-N -1 1 385.436 0.229 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnn(C)c1N ZINC001574154117 950166729 /nfs/dbraw/zinc/16/67/29/950166729.db2.gz BLDKHXVWGJRHTJ-SNVBAGLBSA-N -1 1 385.436 0.229 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)CCOC1 ZINC001575584422 950168822 /nfs/dbraw/zinc/16/88/22/950168822.db2.gz QWNVXPFSAKASBE-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190774 950170272 /nfs/dbraw/zinc/17/02/72/950170272.db2.gz BQBUMWULCMJVTR-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190774 950170288 /nfs/dbraw/zinc/17/02/88/950170288.db2.gz BQBUMWULCMJVTR-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190780 950171983 /nfs/dbraw/zinc/17/19/83/950171983.db2.gz BQBUMWULCMJVTR-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190780 950171992 /nfs/dbraw/zinc/17/19/92/950171992.db2.gz BQBUMWULCMJVTR-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCNC1=O ZINC001574154971 950177176 /nfs/dbraw/zinc/17/71/76/950177176.db2.gz HHKKYWYBEYBYAP-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCNC1=O ZINC001574154971 950177191 /nfs/dbraw/zinc/17/71/91/950177191.db2.gz HHKKYWYBEYBYAP-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574494800 950185362 /nfs/dbraw/zinc/18/53/62/950185362.db2.gz OOVCDBHFXMFBJX-NWDGAFQWSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574494800 950185374 /nfs/dbraw/zinc/18/53/74/950185374.db2.gz OOVCDBHFXMFBJX-NWDGAFQWSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575585004 950186132 /nfs/dbraw/zinc/18/61/32/950186132.db2.gz VFGPBAGMPPOOGX-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575585004 950186138 /nfs/dbraw/zinc/18/61/38/950186138.db2.gz VFGPBAGMPPOOGX-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574494938 950191442 /nfs/dbraw/zinc/19/14/42/950191442.db2.gz QLCQRDIIGQZUEY-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574494938 950191458 /nfs/dbraw/zinc/19/14/58/950191458.db2.gz QLCQRDIIGQZUEY-WDSKDSINSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574494935 950194302 /nfs/dbraw/zinc/19/43/02/950194302.db2.gz QLCQRDIIGQZUEY-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574494935 950194316 /nfs/dbraw/zinc/19/43/16/950194316.db2.gz QLCQRDIIGQZUEY-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575900266 950195786 /nfs/dbraw/zinc/19/57/86/950195786.db2.gz CZDSOQJTIVNOCN-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574495462 950200594 /nfs/dbraw/zinc/20/05/94/950200594.db2.gz SQFVBPWCFFSMQH-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574495462 950200612 /nfs/dbraw/zinc/20/06/12/950200612.db2.gz SQFVBPWCFFSMQH-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574155636 950201750 /nfs/dbraw/zinc/20/17/50/950201750.db2.gz PIPNMRYTZJXPOM-UONOGXRCSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574495673 950206973 /nfs/dbraw/zinc/20/69/73/950206973.db2.gz UNRZKDJEWYCMHK-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574495673 950206987 /nfs/dbraw/zinc/20/69/87/950206987.db2.gz UNRZKDJEWYCMHK-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574495679 950207250 /nfs/dbraw/zinc/20/72/50/950207250.db2.gz UNRZKDJEWYCMHK-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574495679 950207266 /nfs/dbraw/zinc/20/72/66/950207266.db2.gz UNRZKDJEWYCMHK-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191727 950207669 /nfs/dbraw/zinc/20/76/69/950207669.db2.gz HXXZQWGBMQXDOB-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191727 950207685 /nfs/dbraw/zinc/20/76/85/950207685.db2.gz HXXZQWGBMQXDOB-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191770 950207757 /nfs/dbraw/zinc/20/77/57/950207757.db2.gz IIKNWJNEVKHXFX-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191770 950207769 /nfs/dbraw/zinc/20/77/69/950207769.db2.gz IIKNWJNEVKHXFX-VXGBXAGGSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1COCCO1 ZINC001574155835 950213708 /nfs/dbraw/zinc/21/37/08/950213708.db2.gz SCBCQAXARXVZMC-AAEUAGOBSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1COCCO1 ZINC001574155835 950213724 /nfs/dbraw/zinc/21/37/24/950213724.db2.gz SCBCQAXARXVZMC-AAEUAGOBSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574156030 950215398 /nfs/dbraw/zinc/21/53/98/950215398.db2.gz UQOKJIPRGFLBBP-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574156030 950215417 /nfs/dbraw/zinc/21/54/17/950215417.db2.gz UQOKJIPRGFLBBP-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001574156003 950215771 /nfs/dbraw/zinc/21/57/71/950215771.db2.gz UALPZULRIKFDRZ-ROKHWSDSSA-N -1 1 388.476 0.573 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574496561 950216290 /nfs/dbraw/zinc/21/62/90/950216290.db2.gz XKZYMEPLSGLSJT-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574496561 950216311 /nfs/dbraw/zinc/21/63/11/950216311.db2.gz XKZYMEPLSGLSJT-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574496558 950216455 /nfs/dbraw/zinc/21/64/55/950216455.db2.gz XKZYMEPLSGLSJT-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574496558 950216473 /nfs/dbraw/zinc/21/64/73/950216473.db2.gz XKZYMEPLSGLSJT-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001574155993 950218133 /nfs/dbraw/zinc/21/81/33/950218133.db2.gz TXNOMLFWDIBPQS-BZNIZROVSA-N -1 1 378.412 0.150 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574155992 950218283 /nfs/dbraw/zinc/21/82/83/950218283.db2.gz TXNOMLFWDIBPQS-BDJLRTHQSA-N -1 1 378.412 0.150 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(Br)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574983473 950221876 /nfs/dbraw/zinc/22/18/76/950221876.db2.gz OPWSHEACASZASV-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(Br)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574983473 950221886 /nfs/dbraw/zinc/22/18/86/950221886.db2.gz OPWSHEACASZASV-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001574497029 950222849 /nfs/dbraw/zinc/22/28/49/950222849.db2.gz YGSOVXPJZYZNPA-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001574497029 950222858 /nfs/dbraw/zinc/22/28/58/950222858.db2.gz YGSOVXPJZYZNPA-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001574497028 950223163 /nfs/dbraw/zinc/22/31/63/950223163.db2.gz YGSOVXPJZYZNPA-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001574497028 950223180 /nfs/dbraw/zinc/22/31/80/950223180.db2.gz YGSOVXPJZYZNPA-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901217 950222957 /nfs/dbraw/zinc/22/29/57/950222957.db2.gz MMDPIKFETXQLBL-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901217 950222975 /nfs/dbraw/zinc/22/29/75/950222975.db2.gz MMDPIKFETXQLBL-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM CC1(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCOCC1 ZINC001575587289 950234512 /nfs/dbraw/zinc/23/45/12/950234512.db2.gz NICNOJHXZMJIOX-UHFFFAOYSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCOCC1 ZINC001575587289 950234537 /nfs/dbraw/zinc/23/45/37/950234537.db2.gz NICNOJHXZMJIOX-UHFFFAOYSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCOCC1 ZINC001575587254 950237339 /nfs/dbraw/zinc/23/73/39/950237339.db2.gz MRNVTQAIXICWBD-UHFFFAOYSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCOCC1 ZINC001575587254 950237352 /nfs/dbraw/zinc/23/73/52/950237352.db2.gz MRNVTQAIXICWBD-UHFFFAOYSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)n1ccnc1 ZINC001574497773 950239951 /nfs/dbraw/zinc/23/99/51/950239951.db2.gz CTIPETLHKPGWFW-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)n1ccnc1 ZINC001574497773 950239967 /nfs/dbraw/zinc/23/99/67/950239967.db2.gz CTIPETLHKPGWFW-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574157567 950241504 /nfs/dbraw/zinc/24/15/04/950241504.db2.gz DAVKRXGXRLHCTG-RYUDHWBXSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574157567 950241529 /nfs/dbraw/zinc/24/15/29/950241529.db2.gz DAVKRXGXRLHCTG-RYUDHWBXSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)n1cncn1 ZINC001574157574 950241651 /nfs/dbraw/zinc/24/16/51/950241651.db2.gz DBNQUHBSNMPZOW-NWDGAFQWSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)n1cncn1 ZINC001574157574 950241670 /nfs/dbraw/zinc/24/16/70/950241670.db2.gz DBNQUHBSNMPZOW-NWDGAFQWSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574157542 950242696 /nfs/dbraw/zinc/24/26/96/950242696.db2.gz CQNRVANCOJKFBR-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574157542 950242712 /nfs/dbraw/zinc/24/27/12/950242712.db2.gz CQNRVANCOJKFBR-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574157568 950243133 /nfs/dbraw/zinc/24/31/33/950243133.db2.gz DAVKRXGXRLHCTG-VXGBXAGGSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574157568 950243151 /nfs/dbraw/zinc/24/31/51/950243151.db2.gz DAVKRXGXRLHCTG-VXGBXAGGSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574983961 950251501 /nfs/dbraw/zinc/25/15/01/950251501.db2.gz UBIRFEWJSVMBJJ-RXMQYKEDSA-N -1 1 381.809 0.290 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574983961 950251517 /nfs/dbraw/zinc/25/15/17/950251517.db2.gz UBIRFEWJSVMBJJ-RXMQYKEDSA-N -1 1 381.809 0.290 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574157791 950253370 /nfs/dbraw/zinc/25/33/70/950253370.db2.gz ITSVTBPPFDNHTJ-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574157791 950253384 /nfs/dbraw/zinc/25/33/84/950253384.db2.gz ITSVTBPPFDNHTJ-AAEUAGOBSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574497992 950256886 /nfs/dbraw/zinc/25/68/86/950256886.db2.gz HWOGJYWPSWYDKJ-IYXRBSQSSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575902446 950260145 /nfs/dbraw/zinc/26/01/45/950260145.db2.gz UYTZDYJDDKSFKS-DTWKUNHWSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575902446 950260166 /nfs/dbraw/zinc/26/01/66/950260166.db2.gz UYTZDYJDDKSFKS-DTWKUNHWSA-N -1 1 387.429 0.606 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001574157963 950263257 /nfs/dbraw/zinc/26/32/57/950263257.db2.gz LXNVRUNJACIYSZ-SECBINFHSA-N -1 1 391.823 0.977 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574157951 950263834 /nfs/dbraw/zinc/26/38/34/950263834.db2.gz LQCPAEIZRSKVRN-JTQLQIEISA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574157951 950263852 /nfs/dbraw/zinc/26/38/52/950263852.db2.gz LQCPAEIZRSKVRN-JTQLQIEISA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)(C)OC(=O)CN1CCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1=O ZINC001573850050 950266467 /nfs/dbraw/zinc/26/64/67/950266467.db2.gz DZHXGRMQLLYCAI-NSHDSACASA-N -1 1 388.432 0.213 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001575902873 950266804 /nfs/dbraw/zinc/26/68/04/950266804.db2.gz XOKCUPJFHJPHPS-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001575902874 950267831 /nfs/dbraw/zinc/26/78/31/950267831.db2.gz XOKCUPJFHJPHPS-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192759 950267800 /nfs/dbraw/zinc/26/78/00/950267800.db2.gz QUVGTSHCQJIUDQ-VXGBXAGGSA-N -1 1 380.416 0.079 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)n1cccn1 ZINC001574498478 950273555 /nfs/dbraw/zinc/27/35/55/950273555.db2.gz NXKBSMDXEUMZEU-GFCCVEGCSA-N -1 1 382.432 0.377 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574742263 950276509 /nfs/dbraw/zinc/27/65/09/950276509.db2.gz MUTURXRTZWIZHY-XVMARJQXSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574742263 950276522 /nfs/dbraw/zinc/27/65/22/950276522.db2.gz MUTURXRTZWIZHY-XVMARJQXSA-N -1 1 384.853 0.357 20 0 GCADMM CC1(C(=O)NCCN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCC1 ZINC001575592055 950276942 /nfs/dbraw/zinc/27/69/42/950276942.db2.gz AVAIIXKDOAFYJB-UHFFFAOYSA-N -1 1 385.476 0.475 20 0 GCADMM CC1(C(=O)NCCN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCC1 ZINC001575592055 950276956 /nfs/dbraw/zinc/27/69/56/950276956.db2.gz AVAIIXKDOAFYJB-UHFFFAOYSA-N -1 1 385.476 0.475 20 0 GCADMM CC(C)(C)NS(=O)(=O)CCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001573850642 950277833 /nfs/dbraw/zinc/27/78/33/950277833.db2.gz MDOCXZIGWLDZSN-UHFFFAOYSA-N -1 1 391.457 0.796 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)n1ccnc1 ZINC001574498679 950283918 /nfs/dbraw/zinc/28/39/18/950283918.db2.gz PLCMQSSYTHJJQD-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)n1ccnc1 ZINC001574498679 950283933 /nfs/dbraw/zinc/28/39/33/950283933.db2.gz PLCMQSSYTHJJQD-GFCCVEGCSA-N -1 1 382.432 0.955 20 0 GCADMM CC1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575592618 950291697 /nfs/dbraw/zinc/29/16/97/950291697.db2.gz HPVKITCPJZAMKQ-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575592618 950291719 /nfs/dbraw/zinc/29/17/19/950291719.db2.gz HPVKITCPJZAMKQ-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCN(C)C1=O ZINC001574158810 950292651 /nfs/dbraw/zinc/29/26/51/950292651.db2.gz TUYIASJMIXEKLU-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCN(C)C1=O ZINC001574158810 950292676 /nfs/dbraw/zinc/29/26/76/950292676.db2.gz TUYIASJMIXEKLU-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)CCCCC1 ZINC001575592610 950292544 /nfs/dbraw/zinc/29/25/44/950292544.db2.gz CIOWAVFRTYUJSR-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)CCCCC1 ZINC001575592610 950292565 /nfs/dbraw/zinc/29/25/65/950292565.db2.gz CIOWAVFRTYUJSR-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)n1cccn1 ZINC001574499436 950300080 /nfs/dbraw/zinc/30/00/80/950300080.db2.gz VNIWHPSJPPPJTI-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)n1cccn1 ZINC001574499436 950300101 /nfs/dbraw/zinc/30/01/01/950300101.db2.gz VNIWHPSJPPPJTI-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001574159339 950300990 /nfs/dbraw/zinc/30/09/90/950300990.db2.gz FOPQJWDNUJRJTQ-QWHCGFSZSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CO[C@@H]1CCOC1 ZINC001574159339 950301007 /nfs/dbraw/zinc/30/10/07/950301007.db2.gz FOPQJWDNUJRJTQ-QWHCGFSZSA-N -1 1 390.448 0.405 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574499731 950302836 /nfs/dbraw/zinc/30/28/36/950302836.db2.gz WLCOBCVHFNOEEN-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574499731 950302859 /nfs/dbraw/zinc/30/28/59/950302859.db2.gz WLCOBCVHFNOEEN-WCQYABFASA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@]1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575593169 950309110 /nfs/dbraw/zinc/30/91/10/950309110.db2.gz MBETXMFVZRVYPA-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575593169 950309128 /nfs/dbraw/zinc/30/91/28/950309128.db2.gz MBETXMFVZRVYPA-SCLBCKFNSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193746 950313615 /nfs/dbraw/zinc/31/36/15/950313615.db2.gz WTWLGOZFPFJCQS-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193746 950313636 /nfs/dbraw/zinc/31/36/36/950313636.db2.gz WTWLGOZFPFJCQS-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001574500280 950314293 /nfs/dbraw/zinc/31/42/93/950314293.db2.gz ZGRBSMQWZSVLQG-TZMCWYRMSA-N -1 1 388.476 0.574 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)CCCC1 ZINC001575593389 950314648 /nfs/dbraw/zinc/31/46/48/950314648.db2.gz FVZHLBLKKUFAMV-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)CCCC1 ZINC001575593389 950314674 /nfs/dbraw/zinc/31/46/74/950314674.db2.gz FVZHLBLKKUFAMV-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001574500275 950315821 /nfs/dbraw/zinc/31/58/21/950315821.db2.gz ZGRBSMQWZSVLQG-GXTWGEPZSA-N -1 1 388.476 0.574 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193917 950316270 /nfs/dbraw/zinc/31/62/70/950316270.db2.gz WAPOFYZPOYRHAO-OCCSQVGLSA-N -1 1 381.444 0.627 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193901 950319162 /nfs/dbraw/zinc/31/91/62/950319162.db2.gz VWLYUEGFUIHRIJ-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193901 950319185 /nfs/dbraw/zinc/31/91/85/950319185.db2.gz VWLYUEGFUIHRIJ-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193995 950320650 /nfs/dbraw/zinc/32/06/50/950320650.db2.gz XKABZHWDGXLYNZ-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193995 950320672 /nfs/dbraw/zinc/32/06/72/950320672.db2.gz XKABZHWDGXLYNZ-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193997 950322715 /nfs/dbraw/zinc/32/27/15/950322715.db2.gz XKABZHWDGXLYNZ-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193997 950322733 /nfs/dbraw/zinc/32/27/33/950322733.db2.gz XKABZHWDGXLYNZ-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@]1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCc2ccccc21 ZINC001575594408 950331855 /nfs/dbraw/zinc/33/18/55/950331855.db2.gz SIUDXXKLJQJKQU-GOSISDBHSA-N -1 1 381.396 0.149 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574501469 950334008 /nfs/dbraw/zinc/33/40/08/950334008.db2.gz DPRPTZVKQRKKPO-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574501469 950334025 /nfs/dbraw/zinc/33/40/25/950334025.db2.gz DPRPTZVKQRKKPO-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574160518 950336006 /nfs/dbraw/zinc/33/60/06/950336006.db2.gz NQTMVSYJHUBIKN-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574160518 950336030 /nfs/dbraw/zinc/33/60/30/950336030.db2.gz NQTMVSYJHUBIKN-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](O)C1 ZINC001573854045 950341193 /nfs/dbraw/zinc/34/11/93/950341193.db2.gz XVBCVDNFQGMGOU-GWCFXTLKSA-N -1 1 389.416 0.362 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](O)C1 ZINC001573854045 950341216 /nfs/dbraw/zinc/34/12/16/950341216.db2.gz XVBCVDNFQGMGOU-GWCFXTLKSA-N -1 1 389.416 0.362 20 0 GCADMM CC1(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001575594752 950344661 /nfs/dbraw/zinc/34/46/61/950344661.db2.gz MITSNNBWXKLERX-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001575594752 950344680 /nfs/dbraw/zinc/34/46/80/950344680.db2.gz MITSNNBWXKLERX-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194444 950344538 /nfs/dbraw/zinc/34/45/38/950344538.db2.gz ZZPJVSVLYMVQMT-CHWSQXEVSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@]1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575595036 950347136 /nfs/dbraw/zinc/34/71/36/950347136.db2.gz XAPFTEUUZYLTQO-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575595036 950347161 /nfs/dbraw/zinc/34/71/61/950347161.db2.gz XAPFTEUUZYLTQO-UGSOOPFHSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001574501896 950348188 /nfs/dbraw/zinc/34/81/88/950348188.db2.gz HEIBWJCTEGFIMT-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001574501896 950348208 /nfs/dbraw/zinc/34/82/08/950348208.db2.gz HEIBWJCTEGFIMT-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194530 950348509 /nfs/dbraw/zinc/34/85/09/950348509.db2.gz ZUVSPOHSZKINIQ-ZJUUUORDSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194530 950348529 /nfs/dbraw/zinc/34/85/29/950348529.db2.gz ZUVSPOHSZKINIQ-ZJUUUORDSA-N -1 1 386.395 0.729 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccn(C)n1 ZINC001574161342 950356771 /nfs/dbraw/zinc/35/67/71/950356771.db2.gz UGAAAWQNWIGBKC-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccn(C)n1 ZINC001574161342 950356794 /nfs/dbraw/zinc/35/67/94/950356794.db2.gz UGAAAWQNWIGBKC-CYBMUJFWSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574161318 950358537 /nfs/dbraw/zinc/35/85/37/950358537.db2.gz SXUQPTDQIPAPNZ-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574161318 950358555 /nfs/dbraw/zinc/35/85/55/950358555.db2.gz SXUQPTDQIPAPNZ-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC1(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001575595995 950363162 /nfs/dbraw/zinc/36/31/62/950363162.db2.gz RGQDQLDNOAEQOR-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575595995 950363182 /nfs/dbraw/zinc/36/31/82/950363182.db2.gz RGQDQLDNOAEQOR-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574502225 950364258 /nfs/dbraw/zinc/36/42/58/950364258.db2.gz KQLZGSDEZPUJNJ-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574502227 950365392 /nfs/dbraw/zinc/36/53/92/950365392.db2.gz KQLZGSDEZPUJNJ-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574162057 950372207 /nfs/dbraw/zinc/37/22/07/950372207.db2.gz YMFQHHOYUYDPFA-SNVBAGLBSA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574162431 950378058 /nfs/dbraw/zinc/37/80/58/950378058.db2.gz ALEGAYAEPAOHQM-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574162431 950378078 /nfs/dbraw/zinc/37/80/78/950378078.db2.gz ALEGAYAEPAOHQM-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574745196 950378485 /nfs/dbraw/zinc/37/84/85/950378485.db2.gz GWTJEIQXSBLALO-QMMMGPOBSA-N -1 1 392.374 0.322 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001573856509 950383807 /nfs/dbraw/zinc/38/38/07/950383807.db2.gz BAEVKXIGLHCCBQ-VHSXEESVSA-N -1 1 378.389 0.417 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573856509 950383826 /nfs/dbraw/zinc/38/38/26/950383826.db2.gz BAEVKXIGLHCCBQ-VHSXEESVSA-N -1 1 378.389 0.417 20 0 GCADMM CC(C)(C)N1CCC[C@@H](C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)C1=O ZINC001573855545 950384962 /nfs/dbraw/zinc/38/49/62/950384962.db2.gz XVADCMPAYCPAFL-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)N1CCC[C@@H](C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)C1=O ZINC001573855545 950384983 /nfs/dbraw/zinc/38/49/83/950384983.db2.gz XVADCMPAYCPAFL-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575596903 950385986 /nfs/dbraw/zinc/38/59/86/950385986.db2.gz JCAHSGSLXDBFBC-VEVIJQCQSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574745844 950387025 /nfs/dbraw/zinc/38/70/25/950387025.db2.gz LBDGHIGGPOUFNL-ZETCQYMHSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574745844 950387044 /nfs/dbraw/zinc/38/70/44/950387044.db2.gz LBDGHIGGPOUFNL-ZETCQYMHSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574746745 950394004 /nfs/dbraw/zinc/39/40/04/950394004.db2.gz OUIWGCSJRHVBJP-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574746745 950394022 /nfs/dbraw/zinc/39/40/22/950394022.db2.gz OUIWGCSJRHVBJP-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CCO ZINC001573857358 950403207 /nfs/dbraw/zinc/40/32/07/950403207.db2.gz PYCMOYYLSGJFOP-LLVKDONJSA-N -1 1 376.421 0.465 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CCO ZINC001573857358 950403221 /nfs/dbraw/zinc/40/32/21/950403221.db2.gz PYCMOYYLSGJFOP-LLVKDONJSA-N -1 1 376.421 0.465 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574503384 950411348 /nfs/dbraw/zinc/41/13/48/950411348.db2.gz VDUUIPJMXXEZKF-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574503384 950411358 /nfs/dbraw/zinc/41/13/58/950411358.db2.gz VDUUIPJMXXEZKF-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CO1 ZINC001573857729 950413972 /nfs/dbraw/zinc/41/39/72/950413972.db2.gz YEDMUZBJWJYUNE-VIFPVBQESA-N -1 1 376.377 0.934 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CO1 ZINC001573857729 950413980 /nfs/dbraw/zinc/41/39/80/950413980.db2.gz YEDMUZBJWJYUNE-VIFPVBQESA-N -1 1 376.377 0.934 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574747778 950416526 /nfs/dbraw/zinc/41/65/26/950416526.db2.gz XELSOONGALUAJZ-JTQLQIEISA-N -1 1 384.448 0.672 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001573860057 950417675 /nfs/dbraw/zinc/41/76/75/950417675.db2.gz CBOQGZKUOOLQBF-NSHDSACASA-N -1 1 391.436 0.268 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574747845 950421299 /nfs/dbraw/zinc/42/12/99/950421299.db2.gz YWEUBHXSNCRYCI-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574747845 950421309 /nfs/dbraw/zinc/42/13/09/950421309.db2.gz YWEUBHXSNCRYCI-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574747850 950422256 /nfs/dbraw/zinc/42/22/56/950422256.db2.gz YZWBNOQDNFYNKD-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574747850 950422263 /nfs/dbraw/zinc/42/22/63/950422263.db2.gz YZWBNOQDNFYNKD-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573860631 950426892 /nfs/dbraw/zinc/42/68/92/950426892.db2.gz KCZSMJUWKNDFNG-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574163564 950428383 /nfs/dbraw/zinc/42/83/83/950428383.db2.gz WDCOVLRFVQPGLH-RYUDHWBXSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574163564 950428397 /nfs/dbraw/zinc/42/83/97/950428397.db2.gz WDCOVLRFVQPGLH-RYUDHWBXSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574163591 950431930 /nfs/dbraw/zinc/43/19/30/950431930.db2.gz WQLWPXPGAAUXQS-JTQLQIEISA-N -1 1 386.420 0.352 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001573860696 950433140 /nfs/dbraw/zinc/43/31/40/950433140.db2.gz MQNHHPXFLBOPLP-JTQLQIEISA-N -1 1 376.421 0.832 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001573860696 950433153 /nfs/dbraw/zinc/43/31/53/950433153.db2.gz MQNHHPXFLBOPLP-JTQLQIEISA-N -1 1 376.421 0.832 20 0 GCADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575600183 950434920 /nfs/dbraw/zinc/43/49/20/950434920.db2.gz UWYIYYMMQKAUGI-CHWSQXEVSA-N -1 1 386.460 0.735 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1OCCCO1 ZINC001574163869 950441289 /nfs/dbraw/zinc/44/12/89/950441289.db2.gz ZTFLTDNJNLDJFN-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1OCCCO1 ZINC001574163869 950441301 /nfs/dbraw/zinc/44/13/01/950441301.db2.gz ZTFLTDNJNLDJFN-LBPRGKRZSA-N -1 1 390.448 0.753 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575911449 950442040 /nfs/dbraw/zinc/44/20/40/950442040.db2.gz DPWXXIIIEWQKSO-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575911449 950442051 /nfs/dbraw/zinc/44/20/51/950442051.db2.gz DPWXXIIIEWQKSO-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574750792 950445810 /nfs/dbraw/zinc/44/58/10/950445810.db2.gz IAEDHXMTMKTGOJ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574750792 950445827 /nfs/dbraw/zinc/44/58/27/950445827.db2.gz IAEDHXMTMKTGOJ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574751938 950467963 /nfs/dbraw/zinc/46/79/63/950467963.db2.gz RTODIVGHGRZGTJ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574751938 950467975 /nfs/dbraw/zinc/46/79/75/950467975.db2.gz RTODIVGHGRZGTJ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574507999 950468354 /nfs/dbraw/zinc/46/83/54/950468354.db2.gz LIOMZQMNMUIKSI-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574507999 950468361 /nfs/dbraw/zinc/46/83/61/950468361.db2.gz LIOMZQMNMUIKSI-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575912630 950468506 /nfs/dbraw/zinc/46/85/06/950468506.db2.gz HVVTUHGOXLVWKY-GXSJLCMTSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575913145 950476953 /nfs/dbraw/zinc/47/69/53/950476953.db2.gz IUYMULSETHVJPS-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575913145 950476969 /nfs/dbraw/zinc/47/69/69/950476969.db2.gz IUYMULSETHVJPS-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1nccn1C ZINC001575913155 950478652 /nfs/dbraw/zinc/47/86/52/950478652.db2.gz IWSLSFMWQKYVRD-NWDGAFQWSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1nccn1C ZINC001575913155 950478664 /nfs/dbraw/zinc/47/86/64/950478664.db2.gz IWSLSFMWQKYVRD-NWDGAFQWSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752438 950485744 /nfs/dbraw/zinc/48/57/44/950485744.db2.gz CGRFFMPQWCGPNG-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752438 950485758 /nfs/dbraw/zinc/48/57/58/950485758.db2.gz CGRFFMPQWCGPNG-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574508953 950490540 /nfs/dbraw/zinc/49/05/40/950490540.db2.gz REWQRVHFCDLLOL-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574508953 950490553 /nfs/dbraw/zinc/49/05/53/950490553.db2.gz REWQRVHFCDLLOL-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574995257 950500374 /nfs/dbraw/zinc/50/03/74/950500374.db2.gz CNTPTPPCMFNNRM-SSDOTTSWSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574995257 950500389 /nfs/dbraw/zinc/50/03/89/950500389.db2.gz CNTPTPPCMFNNRM-SSDOTTSWSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574995265 950501296 /nfs/dbraw/zinc/50/12/96/950501296.db2.gz CUCYIUQOZATPGG-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574995265 950501312 /nfs/dbraw/zinc/50/13/12/950501312.db2.gz CUCYIUQOZATPGG-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753290 950517085 /nfs/dbraw/zinc/51/70/85/950517085.db2.gz KQCNKNZRMLXZQV-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753290 950517105 /nfs/dbraw/zinc/51/71/05/950517105.db2.gz KQCNKNZRMLXZQV-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573867075 950520074 /nfs/dbraw/zinc/52/00/74/950520074.db2.gz OZFZUQZHNVFRAJ-OCCSQVGLSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573867075 950520089 /nfs/dbraw/zinc/52/00/89/950520089.db2.gz OZFZUQZHNVFRAJ-OCCSQVGLSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753396 950522913 /nfs/dbraw/zinc/52/29/13/950522913.db2.gz MIORTQUBANRJQV-GFCCVEGCSA-N -1 1 381.444 0.717 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573867382 950533938 /nfs/dbraw/zinc/53/39/38/950533938.db2.gz YCIYZFNFVQXCGC-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573867382 950533954 /nfs/dbraw/zinc/53/39/54/950533954.db2.gz YCIYZFNFVQXCGC-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CCC(=O)N1CCC(N(CCO)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574170322 950534332 /nfs/dbraw/zinc/53/43/32/950534332.db2.gz GGCACMMKUNGPOQ-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC(N(CCO)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574170322 950534340 /nfs/dbraw/zinc/53/43/40/950534340.db2.gz GGCACMMKUNGPOQ-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)n(C)n1 ZINC001574997374 950546703 /nfs/dbraw/zinc/54/67/03/950546703.db2.gz UHOZCGRJSIFLFE-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)n(C)n1 ZINC001574997374 950546733 /nfs/dbraw/zinc/54/67/33/950546733.db2.gz UHOZCGRJSIFLFE-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccco1 ZINC001574511075 950550360 /nfs/dbraw/zinc/55/03/60/950550360.db2.gz FTDYRNTXFKAZHS-RTXFEEFZSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccco1 ZINC001574511075 950550375 /nfs/dbraw/zinc/55/03/75/950550375.db2.gz FTDYRNTXFKAZHS-RTXFEEFZSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575917004 950555669 /nfs/dbraw/zinc/55/56/69/950555669.db2.gz UIGDGMZOQHRWPT-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575917004 950555685 /nfs/dbraw/zinc/55/56/85/950555685.db2.gz UIGDGMZOQHRWPT-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574998806 950558772 /nfs/dbraw/zinc/55/87/72/950558772.db2.gz AMJHXURAOLAKFN-JTQLQIEISA-N -1 1 386.420 0.184 20 0 GCADMM C[C@]1(C(N)=O)CCN(c2nnc(C3CC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001575614903 950560487 /nfs/dbraw/zinc/56/04/87/950560487.db2.gz VCJAPFGGXJXVRB-KRWDZBQOSA-N -1 1 383.416 0.679 20 0 GCADMM C[C@]1(C(N)=O)CCN(c2nnc(C3CC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001575614903 950560503 /nfs/dbraw/zinc/56/05/03/950560503.db2.gz VCJAPFGGXJXVRB-KRWDZBQOSA-N -1 1 383.416 0.679 20 0 GCADMM CC(C)CCC(=O)N1CCC(N(CCO)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574171440 950561267 /nfs/dbraw/zinc/56/12/67/950561267.db2.gz QEHKHCPNYGNGHL-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC(N(CCO)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574171440 950561290 /nfs/dbraw/zinc/56/12/90/950561290.db2.gz QEHKHCPNYGNGHL-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)OCC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573869331 950567255 /nfs/dbraw/zinc/56/72/55/950567255.db2.gz OYYRXOOATBVMFP-UHFFFAOYSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574999216 950575713 /nfs/dbraw/zinc/57/57/13/950575713.db2.gz GUEUBOAVHZGYHC-QMMMGPOBSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574999216 950575730 /nfs/dbraw/zinc/57/57/30/950575730.db2.gz GUEUBOAVHZGYHC-QMMMGPOBSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574511917 950576068 /nfs/dbraw/zinc/57/60/68/950576068.db2.gz WFAKQNPMQSCHJN-JLNYLFASSA-N -1 1 394.443 0.730 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574511917 950576088 /nfs/dbraw/zinc/57/60/88/950576088.db2.gz WFAKQNPMQSCHJN-JLNYLFASSA-N -1 1 394.443 0.730 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001573870164 950584244 /nfs/dbraw/zinc/58/42/44/950584244.db2.gz FRIWQLNRBSPDOR-GFCCVEGCSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001573870164 950584266 /nfs/dbraw/zinc/58/42/66/950584266.db2.gz FRIWQLNRBSPDOR-GFCCVEGCSA-N -1 1 390.448 0.183 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574999503 950584166 /nfs/dbraw/zinc/58/41/66/950584166.db2.gz KUDNILALFGKRIG-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574999503 950584182 /nfs/dbraw/zinc/58/41/82/950584182.db2.gz KUDNILALFGKRIG-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574999493 950584724 /nfs/dbraw/zinc/58/47/24/950584724.db2.gz KQUSKDLOXRCPCL-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574999493 950584741 /nfs/dbraw/zinc/58/47/41/950584741.db2.gz KQUSKDLOXRCPCL-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)C1(C)C ZINC001575616362 950585532 /nfs/dbraw/zinc/58/55/32/950585532.db2.gz OONYUBSBCLVWAT-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)C1(C)C ZINC001575616362 950585549 /nfs/dbraw/zinc/58/55/49/950585549.db2.gz OONYUBSBCLVWAT-NSHDSACASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999693 950585933 /nfs/dbraw/zinc/58/59/33/950585933.db2.gz LUDNQZGHAITZPB-VIFPVBQESA-N -1 1 375.824 0.903 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574999693 950585948 /nfs/dbraw/zinc/58/59/48/950585948.db2.gz LUDNQZGHAITZPB-VIFPVBQESA-N -1 1 375.824 0.903 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccsc1 ZINC001575918174 950588822 /nfs/dbraw/zinc/58/88/22/950588822.db2.gz AWDJJRHTCPWSCS-JQWIXIFHSA-N -1 1 386.441 0.620 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001574999778 950590609 /nfs/dbraw/zinc/59/06/09/950590609.db2.gz NMKAFILABCMXCG-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001574999778 950590623 /nfs/dbraw/zinc/59/06/23/950590623.db2.gz NMKAFILABCMXCG-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COC1CCCCC1 ZINC001575918422 950591090 /nfs/dbraw/zinc/59/10/90/950591090.db2.gz BUQUSNLXTWAIHA-JSGCOSHPSA-N -1 1 386.460 0.829 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575000093 950593457 /nfs/dbraw/zinc/59/34/57/950593457.db2.gz AHCLFAMPMSCGAD-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575000093 950593474 /nfs/dbraw/zinc/59/34/74/950593474.db2.gz AHCLFAMPMSCGAD-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575000131 950596435 /nfs/dbraw/zinc/59/64/35/950596435.db2.gz PFMCHAVMBJETQO-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575000131 950596453 /nfs/dbraw/zinc/59/64/53/950596453.db2.gz PFMCHAVMBJETQO-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575000420 950604364 /nfs/dbraw/zinc/60/43/64/950604364.db2.gz CQNPKWNEGFKWHW-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575000420 950604379 /nfs/dbraw/zinc/60/43/79/950604379.db2.gz CQNPKWNEGFKWHW-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575000419 950605786 /nfs/dbraw/zinc/60/57/86/950605786.db2.gz CQNPKWNEGFKWHW-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575000419 950605796 /nfs/dbraw/zinc/60/57/96/950605796.db2.gz CQNPKWNEGFKWHW-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000546 950608606 /nfs/dbraw/zinc/60/86/06/950608606.db2.gz FIUDNPRFNRLKJK-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001573871018 950608840 /nfs/dbraw/zinc/60/88/40/950608840.db2.gz LQWPPWBWOKUJRM-LBPRGKRZSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001573871018 950608854 /nfs/dbraw/zinc/60/88/54/950608854.db2.gz LQWPPWBWOKUJRM-LBPRGKRZSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573871040 950609943 /nfs/dbraw/zinc/60/99/43/950609943.db2.gz METHNLMWHKBWQJ-UHFFFAOYSA-N -1 1 380.474 0.406 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575919406 950612358 /nfs/dbraw/zinc/61/23/58/950612358.db2.gz HTHBJGIOLGFVTK-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575919406 950612383 /nfs/dbraw/zinc/61/23/83/950612383.db2.gz HTHBJGIOLGFVTK-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575919587 950614585 /nfs/dbraw/zinc/61/45/85/950614585.db2.gz HXIHFDDQGXYAAO-SMDDNHRTSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758776 950621075 /nfs/dbraw/zinc/62/10/75/950621075.db2.gz GWAVUKGZHRTSDY-LLVKDONJSA-N -1 1 380.412 0.586 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccn2ccnc12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758962 950621382 /nfs/dbraw/zinc/62/13/82/950621382.db2.gz IJRKVVYVZGSCNL-LLVKDONJSA-N -1 1 378.400 0.299 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncnc2[nH]ccc21 ZINC001575919804 950624083 /nfs/dbraw/zinc/62/40/83/950624083.db2.gz KCPBMJYXEXGOSM-GXSJLCMTSA-N -1 1 391.399 0.595 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncnc2[nH]ccc21 ZINC001575919804 950624102 /nfs/dbraw/zinc/62/41/02/950624102.db2.gz KCPBMJYXEXGOSM-GXSJLCMTSA-N -1 1 391.399 0.595 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759057 950626149 /nfs/dbraw/zinc/62/61/49/950626149.db2.gz KDRDKHJGPGTZBK-VIFPVBQESA-N -1 1 392.374 0.113 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)C1(C)C ZINC001575619897 950626600 /nfs/dbraw/zinc/62/66/00/950626600.db2.gz TWDYPNLUOCOSGT-MNOVXSKESA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575001257 950626899 /nfs/dbraw/zinc/62/68/99/950626899.db2.gz JJNYBOQDNYAPJM-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575001257 950626922 /nfs/dbraw/zinc/62/69/22/950626922.db2.gz JJNYBOQDNYAPJM-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574759038 950627150 /nfs/dbraw/zinc/62/71/50/950627150.db2.gz JVDUCGYEWVOZKF-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574759038 950627164 /nfs/dbraw/zinc/62/71/64/950627164.db2.gz JVDUCGYEWVOZKF-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575001255 950627324 /nfs/dbraw/zinc/62/73/24/950627324.db2.gz JJNYBOQDNYAPJM-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575001255 950627338 /nfs/dbraw/zinc/62/73/38/950627338.db2.gz JJNYBOQDNYAPJM-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)n1cccn1 ZINC001574515647 950628187 /nfs/dbraw/zinc/62/81/87/950628187.db2.gz CYBPTFCOMJIBSI-UUIJZJDISA-N -1 1 380.416 0.055 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575620650 950632380 /nfs/dbraw/zinc/63/23/80/950632380.db2.gz YDYQEGILORGJDS-NSHDSACASA-N -1 1 386.460 0.978 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575620650 950632397 /nfs/dbraw/zinc/63/23/97/950632397.db2.gz YDYQEGILORGJDS-NSHDSACASA-N -1 1 386.460 0.978 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575920618 950633343 /nfs/dbraw/zinc/63/33/43/950633343.db2.gz MRVRVKLOZAPZFX-KWQFWETISA-N -1 1 387.354 0.467 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574759308 950635599 /nfs/dbraw/zinc/63/55/99/950635599.db2.gz MRVWQQDPWZNRGO-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574759308 950635616 /nfs/dbraw/zinc/63/56/16/950635616.db2.gz MRVWQQDPWZNRGO-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575921585 950639073 /nfs/dbraw/zinc/63/90/73/950639073.db2.gz NZWMALBGFFIBOI-PWSUYJOCSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575921585 950639092 /nfs/dbraw/zinc/63/90/92/950639092.db2.gz NZWMALBGFFIBOI-PWSUYJOCSA-N -1 1 386.395 0.538 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575921554 950639185 /nfs/dbraw/zinc/63/91/85/950639185.db2.gz NZUWTIVMACUDMO-FZMZJTMJSA-N -1 1 392.423 0.729 20 0 GCADMM C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001576213696 950640213 /nfs/dbraw/zinc/64/02/13/950640213.db2.gz GUBJIMFQUZGGLY-ZJUUUORDSA-N -1 1 391.432 0.058 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575001643 950641920 /nfs/dbraw/zinc/64/19/20/950641920.db2.gz XAKHITDQSXHKIG-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575001643 950641930 /nfs/dbraw/zinc/64/19/30/950641930.db2.gz XAKHITDQSXHKIG-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574759742 950642935 /nfs/dbraw/zinc/64/29/35/950642935.db2.gz DOFHXAJWHXUTGE-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574759742 950642947 /nfs/dbraw/zinc/64/29/47/950642947.db2.gz DOFHXAJWHXUTGE-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H]1C(=O)OC(C)(C)C ZINC001576213693 950642909 /nfs/dbraw/zinc/64/29/09/950642909.db2.gz GUBJIMFQUZGGLY-NXEZZACHSA-N -1 1 391.432 0.058 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@@H]1CCCO1 ZINC001574517733 950647641 /nfs/dbraw/zinc/64/76/41/950647641.db2.gz LUPQGUYTJJXAOC-GFZQMZQVSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@@H]1CCCO1 ZINC001574517733 950647652 /nfs/dbraw/zinc/64/76/52/950647652.db2.gz LUPQGUYTJJXAOC-GFZQMZQVSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575002031 950648722 /nfs/dbraw/zinc/64/87/22/950648722.db2.gz YQISICLKGKLDLE-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576213837 950652556 /nfs/dbraw/zinc/65/25/56/950652556.db2.gz JGMQLQIIEQHCHR-CMPLNLGQSA-N -1 1 383.416 0.897 20 0 GCADMM C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576213837 950652566 /nfs/dbraw/zinc/65/25/66/950652566.db2.gz JGMQLQIIEQHCHR-CMPLNLGQSA-N -1 1 383.416 0.897 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575923284 950653657 /nfs/dbraw/zinc/65/36/57/950653657.db2.gz QFAWABAVSFFVHQ-GWCFXTLKSA-N -1 1 383.391 0.257 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575924049 950667699 /nfs/dbraw/zinc/66/76/99/950667699.db2.gz RNGTTZSACKUMJQ-KOLCDFICSA-N -1 1 388.823 0.030 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575002767 950668938 /nfs/dbraw/zinc/66/89/38/950668938.db2.gz WPVVQLUKGGYZEI-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575002767 950668945 /nfs/dbraw/zinc/66/89/45/950668945.db2.gz WPVVQLUKGGYZEI-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576214492 950670245 /nfs/dbraw/zinc/67/02/45/950670245.db2.gz AVZREPWJWUAFLR-RKDXNWHRSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576214490 950671124 /nfs/dbraw/zinc/67/11/24/950671124.db2.gz AVZREPWJWUAFLR-DTWKUNHWSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@H]1CCn2cc(C(=O)N(C)CCNc3cncc(-c4nnn[n-]4)n3)nc2C1 ZINC001576214486 950671358 /nfs/dbraw/zinc/67/13/58/950671358.db2.gz ASYWOCAYQCWRAU-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCn2cc(C(=O)N(C)CCNc3cncc(-c4nn[n-]n4)n3)nc2C1 ZINC001576214486 950671374 /nfs/dbraw/zinc/67/13/74/950671374.db2.gz ASYWOCAYQCWRAU-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760653 950671242 /nfs/dbraw/zinc/67/12/42/950671242.db2.gz KQRVCZVHTJFDCT-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760653 950671251 /nfs/dbraw/zinc/67/12/51/950671251.db2.gz KQRVCZVHTJFDCT-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC001575924519 950677156 /nfs/dbraw/zinc/67/71/56/950677156.db2.gz SHSRXZCKKVXBPX-CMPLNLGQSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001575925133 950679105 /nfs/dbraw/zinc/67/91/05/950679105.db2.gz SVIBZCVHDGMLEB-GXTWGEPZSA-N -1 1 386.460 0.687 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001575925278 950679925 /nfs/dbraw/zinc/67/99/25/950679925.db2.gz UCJSDMHBEQHRSY-NEPJUHHUSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925189 950681531 /nfs/dbraw/zinc/68/15/31/950681531.db2.gz SZGXBLJUNOZPIA-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925189 950681540 /nfs/dbraw/zinc/68/15/40/950681540.db2.gz SZGXBLJUNOZPIA-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001575925154 950681946 /nfs/dbraw/zinc/68/19/46/950681946.db2.gz SVIBZCVHDGMLEB-TZMCWYRMSA-N -1 1 386.460 0.687 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001574519439 950682490 /nfs/dbraw/zinc/68/24/90/950682490.db2.gz VVUGKGGTVODZET-APOZVJGGSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575005465 950685506 /nfs/dbraw/zinc/68/55/06/950685506.db2.gz FVBUWSZYIFLHLH-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575005465 950685517 /nfs/dbraw/zinc/68/55/17/950685517.db2.gz FVBUWSZYIFLHLH-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001573877429 950686369 /nfs/dbraw/zinc/68/63/69/950686369.db2.gz ALXYUNBEOMIIOS-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001573877429 950686389 /nfs/dbraw/zinc/68/63/89/950686389.db2.gz ALXYUNBEOMIIOS-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001575925758 950691727 /nfs/dbraw/zinc/69/17/27/950691727.db2.gz USPYBLVXXCWVEF-YUMQZZPRSA-N -1 1 391.848 0.904 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215255 950692507 /nfs/dbraw/zinc/69/25/07/950692507.db2.gz DXZCXDJNXDVYQT-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215255 950692517 /nfs/dbraw/zinc/69/25/17/950692517.db2.gz DXZCXDJNXDVYQT-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575925844 950692713 /nfs/dbraw/zinc/69/27/13/950692713.db2.gz VJZFOHAPCXNXAI-HTQZYQBOSA-N -1 1 391.848 0.904 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574179097 950694701 /nfs/dbraw/zinc/69/47/01/950694701.db2.gz AVZBHZVJPMFEJM-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574179097 950694714 /nfs/dbraw/zinc/69/47/14/950694714.db2.gz AVZBHZVJPMFEJM-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574761576 950695737 /nfs/dbraw/zinc/69/57/37/950695737.db2.gz SLLFUBJZDNESME-NSHDSACASA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574179098 950695988 /nfs/dbraw/zinc/69/59/88/950695988.db2.gz AVZBHZVJPMFEJM-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574179098 950695997 /nfs/dbraw/zinc/69/59/97/950695997.db2.gz AVZBHZVJPMFEJM-TXEJJXNPSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)nc2C1 ZINC001576215318 950696683 /nfs/dbraw/zinc/69/66/83/950696683.db2.gz FIBDMBZVEDTFTR-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)nc2C1 ZINC001576215318 950696693 /nfs/dbraw/zinc/69/66/93/950696693.db2.gz FIBDMBZVEDTFTR-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926185 950699387 /nfs/dbraw/zinc/69/93/87/950699387.db2.gz VWJOJXLJEYVOFM-WPRPVWTQSA-N -1 1 388.823 0.181 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573878205 950700973 /nfs/dbraw/zinc/70/09/73/950700973.db2.gz KVDDLIWDCFMONY-FMTVUPSXSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573878205 950700988 /nfs/dbraw/zinc/70/09/88/950700988.db2.gz KVDDLIWDCFMONY-FMTVUPSXSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215655 950704179 /nfs/dbraw/zinc/70/41/79/950704179.db2.gz FRWHQHZCWGTNDP-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215655 950704208 /nfs/dbraw/zinc/70/42/08/950704208.db2.gz FRWHQHZCWGTNDP-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763479 950716997 /nfs/dbraw/zinc/71/69/97/950716997.db2.gz BZTZNKNZPYEURZ-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763479 950717020 /nfs/dbraw/zinc/71/70/20/950717020.db2.gz BZTZNKNZPYEURZ-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763541 950719688 /nfs/dbraw/zinc/71/96/88/950719688.db2.gz DJUXJDDYYSHGJV-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763541 950719704 /nfs/dbraw/zinc/71/97/04/950719704.db2.gz DJUXJDDYYSHGJV-MRVPVSSYSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)nn3)cn2C1 ZINC001576215928 950720509 /nfs/dbraw/zinc/72/05/09/950720509.db2.gz HFMIXBFQKRGDIE-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)nn3)cn2C1 ZINC001576215928 950720518 /nfs/dbraw/zinc/72/05/18/950720518.db2.gz HFMIXBFQKRGDIE-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575926815 950721676 /nfs/dbraw/zinc/72/16/76/950721676.db2.gz LZKKSGHEHAJPOK-JOYOIKCWSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575926815 950721685 /nfs/dbraw/zinc/72/16/85/950721685.db2.gz LZKKSGHEHAJPOK-JOYOIKCWSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763640 950727624 /nfs/dbraw/zinc/72/76/24/950727624.db2.gz HDBSFPNSNPHINO-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763640 950727634 /nfs/dbraw/zinc/72/76/34/950727634.db2.gz HDBSFPNSNPHINO-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001575927028 950730499 /nfs/dbraw/zinc/73/04/99/950730499.db2.gz NEQSQAWDNBLCRA-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001575927028 950730512 /nfs/dbraw/zinc/73/05/12/950730512.db2.gz NEQSQAWDNBLCRA-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)no1 ZINC001573879776 950731198 /nfs/dbraw/zinc/73/11/98/950731198.db2.gz MDUZQLUMYHXILC-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001573879757 950733615 /nfs/dbraw/zinc/73/36/15/950733615.db2.gz KWUHFQRVDVNBDX-SNVBAGLBSA-N -1 1 383.416 0.691 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763790 950734137 /nfs/dbraw/zinc/73/41/37/950734137.db2.gz KXAULUBNURJXRW-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763790 950734150 /nfs/dbraw/zinc/73/41/50/950734150.db2.gz KXAULUBNURJXRW-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763802 950735093 /nfs/dbraw/zinc/73/50/93/950735093.db2.gz LEHCAKDPIXPWOY-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763802 950735106 /nfs/dbraw/zinc/73/51/06/950735106.db2.gz LEHCAKDPIXPWOY-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763801 950735475 /nfs/dbraw/zinc/73/54/75/950735475.db2.gz LEHCAKDPIXPWOY-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763801 950735483 /nfs/dbraw/zinc/73/54/83/950735483.db2.gz LEHCAKDPIXPWOY-LLVKDONJSA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574763861 950736465 /nfs/dbraw/zinc/73/64/65/950736465.db2.gz MKPWTFIHYOHOJH-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574763861 950736485 /nfs/dbraw/zinc/73/64/85/950736485.db2.gz MKPWTFIHYOHOJH-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3cncc(-c4nnn[n-]4)n3)c2C1 ZINC001576216432 950737845 /nfs/dbraw/zinc/73/78/45/950737845.db2.gz JGTMFHPAJZEMJP-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3cncc(-c4nn[n-]n4)n3)c2C1 ZINC001576216432 950737862 /nfs/dbraw/zinc/73/78/62/950737862.db2.gz JGTMFHPAJZEMJP-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927303 950738698 /nfs/dbraw/zinc/73/86/98/950738698.db2.gz OXHSPVVEJQQTIL-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927303 950738715 /nfs/dbraw/zinc/73/87/15/950738715.db2.gz OXHSPVVEJQQTIL-MNOVXSKESA-N -1 1 387.448 0.220 20 0 GCADMM CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575629518 950739597 /nfs/dbraw/zinc/73/95/97/950739597.db2.gz OLMRTSCAFNUYFQ-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575629518 950739613 /nfs/dbraw/zinc/73/96/13/950739613.db2.gz OLMRTSCAFNUYFQ-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574181045 950740215 /nfs/dbraw/zinc/74/02/15/950740215.db2.gz JEZGWBRTXYTMHB-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574181045 950740228 /nfs/dbraw/zinc/74/02/28/950740228.db2.gz JEZGWBRTXYTMHB-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927305 950740672 /nfs/dbraw/zinc/74/06/72/950740672.db2.gz OXHSPVVEJQQTIL-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927305 950740686 /nfs/dbraw/zinc/74/06/86/950740686.db2.gz OXHSPVVEJQQTIL-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764005 950742175 /nfs/dbraw/zinc/74/21/75/950742175.db2.gz OVEYCIWTKCMOOA-NSHDSACASA-N -1 1 384.448 0.603 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574181306 950743388 /nfs/dbraw/zinc/74/33/88/950743388.db2.gz LMWLEHFRPLZLOX-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574181306 950743401 /nfs/dbraw/zinc/74/34/01/950743401.db2.gz LMWLEHFRPLZLOX-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927572 950747541 /nfs/dbraw/zinc/74/75/41/950747541.db2.gz PZKYEZPJCGMIAT-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927572 950747552 /nfs/dbraw/zinc/74/75/52/950747552.db2.gz PZKYEZPJCGMIAT-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764253 950749919 /nfs/dbraw/zinc/74/99/19/950749919.db2.gz RSBXALUEZBZPJA-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764253 950749934 /nfs/dbraw/zinc/74/99/34/950749934.db2.gz RSBXALUEZBZPJA-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216970 950751441 /nfs/dbraw/zinc/75/14/41/950751441.db2.gz LEWWWWQUSXIEMW-UWVGGRQHSA-N -1 1 382.432 0.157 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574182018 950752839 /nfs/dbraw/zinc/75/28/39/950752839.db2.gz SAEKFBYCZMONDN-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574182018 950752858 /nfs/dbraw/zinc/75/28/58/950752858.db2.gz SAEKFBYCZMONDN-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H]1CCn2cc(C(=O)NCCN(C)c3ccnc(-c4nn[n-]n4)n3)nc2C1 ZINC001576217301 950753129 /nfs/dbraw/zinc/75/31/29/950753129.db2.gz LYJNSEPKTFWEAD-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764456 950753146 /nfs/dbraw/zinc/75/31/46/950753146.db2.gz SZROHESLWKQBMF-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764456 950753160 /nfs/dbraw/zinc/75/31/60/950753160.db2.gz SZROHESLWKQBMF-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574182097 950756088 /nfs/dbraw/zinc/75/60/88/950756088.db2.gz UKWFITCDTVHTCC-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574182097 950756105 /nfs/dbraw/zinc/75/61/05/950756105.db2.gz UKWFITCDTVHTCC-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576217074 950756553 /nfs/dbraw/zinc/75/65/53/950756553.db2.gz GTLBXRYQOJHXCX-PIGZYNQJSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576217074 950756566 /nfs/dbraw/zinc/75/65/66/950756566.db2.gz GTLBXRYQOJHXCX-PIGZYNQJSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217398 950760643 /nfs/dbraw/zinc/76/06/43/950760643.db2.gz NJOOQPKTWAHMKV-VHSXEESVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2nncn2c1 ZINC001575928043 950767881 /nfs/dbraw/zinc/76/78/81/950767881.db2.gz YCRJJASKSKCKLK-PWSUYJOCSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2nncn2c1 ZINC001575928043 950767899 /nfs/dbraw/zinc/76/78/99/950767899.db2.gz YCRJJASKSKCKLK-PWSUYJOCSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)N(C)CCNc3ccnc(-c4nn[n-]n4)n3)nc2C1 ZINC001576217718 950768422 /nfs/dbraw/zinc/76/84/22/950768422.db2.gz OAYIJZLRUAQMIX-LLVKDONJSA-N -1 1 382.432 0.042 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2nncn2c1 ZINC001575928042 950768538 /nfs/dbraw/zinc/76/85/38/950768538.db2.gz YCRJJASKSKCKLK-JQWIXIFHSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2nncn2c1 ZINC001575928042 950768548 /nfs/dbraw/zinc/76/85/48/950768548.db2.gz YCRJJASKSKCKLK-JQWIXIFHSA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)nn3)nc2C1 ZINC001576217704 950770118 /nfs/dbraw/zinc/77/01/18/950770118.db2.gz NUOFLMJAAWXPJF-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)nn3)nc2C1 ZINC001576217704 950770134 /nfs/dbraw/zinc/77/01/34/950770134.db2.gz NUOFLMJAAWXPJF-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575928128 950771121 /nfs/dbraw/zinc/77/11/21/950771121.db2.gz YYXMSYUSVLMPID-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575928128 950771136 /nfs/dbraw/zinc/77/11/36/950771136.db2.gz YYXMSYUSVLMPID-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576218056 950777461 /nfs/dbraw/zinc/77/74/61/950777461.db2.gz KOEGMQBULKLMTG-KZULUSFZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884100 950782418 /nfs/dbraw/zinc/78/24/18/950782418.db2.gz ICLSQIUSKYBQCT-MGCOHNPYSA-N -1 1 382.432 0.472 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575929306 950782653 /nfs/dbraw/zinc/78/26/53/950782653.db2.gz BPFHVUKTPADMJB-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575929306 950782671 /nfs/dbraw/zinc/78/26/71/950782671.db2.gz BPFHVUKTPADMJB-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575929282 950783562 /nfs/dbraw/zinc/78/35/62/950783562.db2.gz BLAYNJCPCQMRRY-MWLCHTKSSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575929282 950783575 /nfs/dbraw/zinc/78/35/75/950783575.db2.gz BLAYNJCPCQMRRY-MWLCHTKSSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1CCn2cc(C(=O)N(C)CCNc3nccnc3-c3nnn[n-]3)nc2C1 ZINC001576218323 950787159 /nfs/dbraw/zinc/78/71/59/950787159.db2.gz QRTJMSBGIMCPSY-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCn2cc(C(=O)N(C)CCNc3nccnc3-c3nn[n-]n3)nc2C1 ZINC001576218323 950787178 /nfs/dbraw/zinc/78/71/78/950787178.db2.gz QRTJMSBGIMCPSY-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576218330 950787817 /nfs/dbraw/zinc/78/78/17/950787817.db2.gz QUYMCBMRAOKFFL-QWRGUYRKSA-N -1 1 382.432 0.088 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573884279 950790470 /nfs/dbraw/zinc/79/04/70/950790470.db2.gz MCGRYDJZWKEHIW-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573884279 950790480 /nfs/dbraw/zinc/79/04/80/950790480.db2.gz MCGRYDJZWKEHIW-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)co1 ZINC001573884252 950790994 /nfs/dbraw/zinc/79/09/94/950790994.db2.gz BTZJJPXLZGZIQJ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)co1 ZINC001573884252 950791004 /nfs/dbraw/zinc/79/10/04/950791004.db2.gz BTZJJPXLZGZIQJ-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576218906 950795149 /nfs/dbraw/zinc/79/51/49/950795149.db2.gz RWWKNMCATWBVQB-MNOVXSKESA-N -1 1 382.432 0.088 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573884538 950796389 /nfs/dbraw/zinc/79/63/89/950796389.db2.gz DYJGKILIHURPCL-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573884538 950796395 /nfs/dbraw/zinc/79/63/95/950796395.db2.gz DYJGKILIHURPCL-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1coc(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001573884496 950796837 /nfs/dbraw/zinc/79/68/37/950796837.db2.gz NFPVBMKFBFESIP-UHFFFAOYSA-N -1 1 388.388 0.121 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576219211 950803077 /nfs/dbraw/zinc/80/30/77/950803077.db2.gz SSWAIGOWOMJFNB-ZUZCIYMTSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576219233 950806365 /nfs/dbraw/zinc/80/63/65/950806365.db2.gz SXZNVNGZESBJNL-BMIGLBTASA-N -1 1 382.432 0.664 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576219567 950808633 /nfs/dbraw/zinc/80/86/33/950808633.db2.gz SXZNVNGZESBJNL-ZUZCIYMTSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575931503 950809200 /nfs/dbraw/zinc/80/92/00/950809200.db2.gz IGHQTDXJJPAOLT-QWRGUYRKSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575931503 950809210 /nfs/dbraw/zinc/80/92/10/950809210.db2.gz IGHQTDXJJPAOLT-QWRGUYRKSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574766215 950810774 /nfs/dbraw/zinc/81/07/74/950810774.db2.gz MARLKSHYVSXGGW-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574766215 950810794 /nfs/dbraw/zinc/81/07/94/950810794.db2.gz MARLKSHYVSXGGW-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766346 950816204 /nfs/dbraw/zinc/81/62/04/950816204.db2.gz IOAOECLDBCFDGV-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766346 950816223 /nfs/dbraw/zinc/81/62/23/950816223.db2.gz IOAOECLDBCFDGV-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)N(C)CCNc3cnc(-c4nnn[n-]4)cn3)cn2C1 ZINC001576220203 950827324 /nfs/dbraw/zinc/82/73/24/950827324.db2.gz WDFSUIUCNHLYCJ-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)N(C)CCNc3cnc(-c4nn[n-]n4)cn3)cn2C1 ZINC001576220203 950827346 /nfs/dbraw/zinc/82/73/46/950827346.db2.gz WDFSUIUCNHLYCJ-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576220601 950834775 /nfs/dbraw/zinc/83/47/75/950834775.db2.gz RRGQIBBEDMSFBW-ZDUSSCGKSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576220601 950834798 /nfs/dbraw/zinc/83/47/98/950834798.db2.gz RRGQIBBEDMSFBW-ZDUSSCGKSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767142 950835901 /nfs/dbraw/zinc/83/59/01/950835901.db2.gz MEYNTMUQAOYYBK-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767142 950835930 /nfs/dbraw/zinc/83/59/30/950835930.db2.gz MEYNTMUQAOYYBK-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573887492 950846318 /nfs/dbraw/zinc/84/63/18/950846318.db2.gz DNBGXNPQSLAMIB-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573887492 950846357 /nfs/dbraw/zinc/84/63/57/950846357.db2.gz DNBGXNPQSLAMIB-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(S(C)(=O)=O)nc2)n1 ZINC001573887506 950846781 /nfs/dbraw/zinc/84/67/81/950846781.db2.gz FOMZJVNNDWMKHM-UHFFFAOYSA-N -1 1 390.429 0.869 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(S(C)(=O)=O)nc2)n1 ZINC001573887506 950846799 /nfs/dbraw/zinc/84/67/99/950846799.db2.gz FOMZJVNNDWMKHM-UHFFFAOYSA-N -1 1 390.429 0.869 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575933854 950850133 /nfs/dbraw/zinc/85/01/33/950850133.db2.gz PYVPKDZRWODQQI-IUCAKERBSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575933854 950850155 /nfs/dbraw/zinc/85/01/55/950850155.db2.gz PYVPKDZRWODQQI-IUCAKERBSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCN(C)c3nccnc3-c3nnn[n-]3)cn2C1 ZINC001576221337 950852572 /nfs/dbraw/zinc/85/25/72/950852572.db2.gz ZXWUIEWIKUZAJO-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@H]1CCc2nc(C(=O)NCCN(C)c3nccnc3-c3nn[n-]n3)cn2C1 ZINC001576221337 950852594 /nfs/dbraw/zinc/85/25/94/950852594.db2.gz ZXWUIEWIKUZAJO-NSHDSACASA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575934131 950854347 /nfs/dbraw/zinc/85/43/47/950854347.db2.gz QILGVTDLIVVNHC-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575934131 950854367 /nfs/dbraw/zinc/85/43/67/950854367.db2.gz QILGVTDLIVVNHC-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576221702 950856723 /nfs/dbraw/zinc/85/67/23/950856723.db2.gz WBGWPVGEFWJKQS-CYBMUJFWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767600 950859769 /nfs/dbraw/zinc/85/97/69/950859769.db2.gz SQNNEZVWMAETBU-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767600 950859788 /nfs/dbraw/zinc/85/97/88/950859788.db2.gz SQNNEZVWMAETBU-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573888021 950860149 /nfs/dbraw/zinc/86/01/49/950860149.db2.gz NYHLECODTFQFRW-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573888021 950860165 /nfs/dbraw/zinc/86/01/65/950860165.db2.gz NYHLECODTFQFRW-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575934813 950865942 /nfs/dbraw/zinc/86/59/42/950865942.db2.gz UAGLBBNKFSJGKF-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncnc1 ZINC001575934813 950865965 /nfs/dbraw/zinc/86/59/65/950865965.db2.gz UAGLBBNKFSJGKF-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767961 950872544 /nfs/dbraw/zinc/87/25/44/950872544.db2.gz VVCKMPJDHOYYJW-SSDOTTSWSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767978 950876083 /nfs/dbraw/zinc/87/60/83/950876083.db2.gz SEFMYOGXKXXOPR-JTQLQIEISA-N -1 1 383.416 0.518 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001573888627 950877138 /nfs/dbraw/zinc/87/71/38/950877138.db2.gz YBLBBQRTGXSXFZ-KOLCDFICSA-N -1 1 376.421 0.570 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001573888627 950877145 /nfs/dbraw/zinc/87/71/45/950877145.db2.gz YBLBBQRTGXSXFZ-KOLCDFICSA-N -1 1 376.421 0.570 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575935426 950877445 /nfs/dbraw/zinc/87/74/45/950877445.db2.gz WIMBNZCKTWCKQL-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575935426 950877464 /nfs/dbraw/zinc/87/74/64/950877464.db2.gz WIMBNZCKTWCKQL-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)(C)n1nnc(CC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)n1 ZINC001573893378 950879094 /nfs/dbraw/zinc/87/90/94/950879094.db2.gz CIQMETQCWRYONC-UHFFFAOYSA-N -1 1 384.404 0.257 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935478 950881541 /nfs/dbraw/zinc/88/15/41/950881541.db2.gz WZPKYBWGAZFINV-CABZTGNLSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935478 950881554 /nfs/dbraw/zinc/88/15/54/950881554.db2.gz WZPKYBWGAZFINV-CABZTGNLSA-N -1 1 380.416 0.972 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640025 950883479 /nfs/dbraw/zinc/88/34/79/950883479.db2.gz GHUKIXZPNHDLCD-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640025 950883487 /nfs/dbraw/zinc/88/34/87/950883487.db2.gz GHUKIXZPNHDLCD-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cnon2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640461 950896118 /nfs/dbraw/zinc/89/61/18/950896118.db2.gz HRFKZQYXOBCTIL-SNVBAGLBSA-N -1 1 384.404 0.465 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cnon2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640461 950896135 /nfs/dbraw/zinc/89/61/35/950896135.db2.gz HRFKZQYXOBCTIL-SNVBAGLBSA-N -1 1 384.404 0.465 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1cccnc1 ZINC001575935858 950898007 /nfs/dbraw/zinc/89/80/07/950898007.db2.gz ZXEFDDZEWGKDLH-DGCLKSJQSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1cccnc1 ZINC001575935858 950898026 /nfs/dbraw/zinc/89/80/26/950898026.db2.gz ZXEFDDZEWGKDLH-DGCLKSJQSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768746 950900624 /nfs/dbraw/zinc/90/06/24/950900624.db2.gz WMLGFDJJMSBEHF-QMMMGPOBSA-N -1 1 386.445 0.380 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573893781 950902700 /nfs/dbraw/zinc/90/27/00/950902700.db2.gz WAIFWCIPMFEHAX-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573893781 950902720 /nfs/dbraw/zinc/90/27/20/950902720.db2.gz WAIFWCIPMFEHAX-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935885 950902805 /nfs/dbraw/zinc/90/28/05/950902805.db2.gz BQAVTFSCJVXAMJ-BXKDBHETSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935885 950902831 /nfs/dbraw/zinc/90/28/31/950902831.db2.gz BQAVTFSCJVXAMJ-BXKDBHETSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768918 950904488 /nfs/dbraw/zinc/90/44/88/950904488.db2.gz XPKBHIWWZNUXMO-JTQLQIEISA-N -1 1 385.432 0.937 20 0 GCADMM C[C@@H]1CN(C(=O)C2CC2)CC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)O1 ZINC001576227326 950910695 /nfs/dbraw/zinc/91/06/95/950910695.db2.gz FXZQEZJMSCUWQQ-GFCCVEGCSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001573893918 950912975 /nfs/dbraw/zinc/91/29/75/950912975.db2.gz CDLFACXGIOCQCA-HAQNSBGRSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001573893918 950912991 /nfs/dbraw/zinc/91/29/91/950912991.db2.gz CDLFACXGIOCQCA-HAQNSBGRSA-N -1 1 382.432 0.981 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001575641178 950914636 /nfs/dbraw/zinc/91/46/36/950914636.db2.gz AXYJQQSCQHHCPF-OLZOCXBDSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001575641178 950914651 /nfs/dbraw/zinc/91/46/51/950914651.db2.gz AXYJQQSCQHHCPF-OLZOCXBDSA-N -1 1 386.460 0.493 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c(=O)[nH]c1=O ZINC001573894026 950919707 /nfs/dbraw/zinc/91/97/07/950919707.db2.gz JCZDBTZFUBSTGO-UHFFFAOYSA-N -1 1 385.388 0.601 20 0 GCADMM CC(C)(C)n1cc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c(=O)[nH]c1=O ZINC001573894026 950919720 /nfs/dbraw/zinc/91/97/20/950919720.db2.gz JCZDBTZFUBSTGO-UHFFFAOYSA-N -1 1 385.388 0.601 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575936618 950920355 /nfs/dbraw/zinc/92/03/55/950920355.db2.gz GSDJIZGBFXHPQR-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575936618 950920370 /nfs/dbraw/zinc/92/03/70/950920370.db2.gz GSDJIZGBFXHPQR-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573894160 950924721 /nfs/dbraw/zinc/92/47/21/950924721.db2.gz OCVLBVKTTHXAGQ-XYPYZODXSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573894160 950924738 /nfs/dbraw/zinc/92/47/38/950924738.db2.gz OCVLBVKTTHXAGQ-XYPYZODXSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573894120 950925064 /nfs/dbraw/zinc/92/50/64/950925064.db2.gz MQTYJUIYWKJKKU-PHIMTYICSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573894120 950925078 /nfs/dbraw/zinc/92/50/78/950925078.db2.gz MQTYJUIYWKJKKU-PHIMTYICSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCCC1=O ZINC001575936803 950927549 /nfs/dbraw/zinc/92/75/49/950927549.db2.gz IMCRIEDHFUGQNZ-RYUDHWBXSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCCC1=O ZINC001575936803 950927568 /nfs/dbraw/zinc/92/75/68/950927568.db2.gz IMCRIEDHFUGQNZ-RYUDHWBXSA-N -1 1 385.432 0.071 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001573894437 950929026 /nfs/dbraw/zinc/92/90/26/950929026.db2.gz RRIHKEWSOIIULI-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001573894437 950929047 /nfs/dbraw/zinc/92/90/47/950929047.db2.gz RRIHKEWSOIIULI-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573894672 950930970 /nfs/dbraw/zinc/93/09/70/950930970.db2.gz XEZDMFCPUYNZJQ-PHIMTYICSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573894672 950930981 /nfs/dbraw/zinc/93/09/81/950930981.db2.gz XEZDMFCPUYNZJQ-PHIMTYICSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1cccnc1 ZINC001575936849 950932534 /nfs/dbraw/zinc/93/25/34/950932534.db2.gz IXQQAFPXWARXPP-YPMHNXCESA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1cccnc1 ZINC001575936849 950932550 /nfs/dbraw/zinc/93/25/50/950932550.db2.gz IXQQAFPXWARXPP-YPMHNXCESA-N -1 1 381.400 0.532 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)C1CC1 ZINC001573895948 950944026 /nfs/dbraw/zinc/94/40/26/950944026.db2.gz FMMBOEDKYDQOQQ-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)C1CC1 ZINC001573895948 950944038 /nfs/dbraw/zinc/94/40/38/950944038.db2.gz FMMBOEDKYDQOQQ-TZMCWYRMSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642551 950945419 /nfs/dbraw/zinc/94/54/19/950945419.db2.gz IKMUGAMHPHJAHA-CHWSQXEVSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642551 950945434 /nfs/dbraw/zinc/94/54/34/950945434.db2.gz IKMUGAMHPHJAHA-CHWSQXEVSA-N -1 1 386.460 0.493 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(F)F ZINC001573896629 950946723 /nfs/dbraw/zinc/94/67/23/950946723.db2.gz IXBRZCAMOOWOSZ-SECBINFHSA-N -1 1 384.391 0.039 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C1CC1 ZINC001573897243 950955643 /nfs/dbraw/zinc/95/56/43/950955643.db2.gz NJCRKFPASVCURC-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C1CC1 ZINC001573897243 950955662 /nfs/dbraw/zinc/95/56/62/950955662.db2.gz NJCRKFPASVCURC-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1)CC(F)F ZINC001573897484 950959854 /nfs/dbraw/zinc/95/98/54/950959854.db2.gz QSZWFOMSTZIDMF-VIFPVBQESA-N -1 1 384.391 0.039 20 0 GCADMM CC(C)(CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573897503 950964731 /nfs/dbraw/zinc/96/47/31/950964731.db2.gz RIUQFNHQCDBMRK-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897503 950964746 /nfs/dbraw/zinc/96/47/46/950964746.db2.gz RIUQFNHQCDBMRK-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529993 950965532 /nfs/dbraw/zinc/96/55/32/950965532.db2.gz SEBZEMAIFDMVJH-NXEZZACHSA-N -1 1 384.400 0.622 20 0 GCADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1nc[nH]n1 ZINC001575937996 950967549 /nfs/dbraw/zinc/96/75/49/950967549.db2.gz IEPHXYYYBANKNC-RITPCOANSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576229636 950975838 /nfs/dbraw/zinc/97/58/38/950975838.db2.gz NOJVZWFZFYCWAC-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576229636 950975858 /nfs/dbraw/zinc/97/58/58/950975858.db2.gz NOJVZWFZFYCWAC-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643787 950979489 /nfs/dbraw/zinc/97/94/89/950979489.db2.gz OYYVMAGAOHIKKM-OLZOCXBDSA-N -1 1 386.460 0.493 20 0 GCADMM CC(C)(CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001573899670 950983167 /nfs/dbraw/zinc/98/31/67/950983167.db2.gz HUGYPXAFJWNKSX-UHFFFAOYSA-N -1 1 383.412 0.613 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573899680 950983334 /nfs/dbraw/zinc/98/33/34/950983334.db2.gz IPSGBVKEYFFLJZ-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C1CC1 ZINC001573899982 950994947 /nfs/dbraw/zinc/99/49/47/950994947.db2.gz NKJVOAZEEUKVSP-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C1CC1 ZINC001573899982 950994967 /nfs/dbraw/zinc/99/49/67/950994967.db2.gz NKJVOAZEEUKVSP-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001573900194 950998184 /nfs/dbraw/zinc/99/81/84/950998184.db2.gz UKIGQTNBWSVJBX-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001573900194 950998196 /nfs/dbraw/zinc/99/81/96/950998196.db2.gz UKIGQTNBWSVJBX-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573900392 951001138 /nfs/dbraw/zinc/00/11/38/951001138.db2.gz ZNIAOOWCNBVSHP-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573900392 951001160 /nfs/dbraw/zinc/00/11/60/951001160.db2.gz ZNIAOOWCNBVSHP-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574195613 951004890 /nfs/dbraw/zinc/00/48/90/951004890.db2.gz UWTPOWJAHQRMMG-KGLIPLIRSA-N -1 1 388.476 0.929 20 0 GCADMM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575018619 951020875 /nfs/dbraw/zinc/02/08/75/951020875.db2.gz MUQSPRSIQHLYRL-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575018619 951020891 /nfs/dbraw/zinc/02/08/91/951020891.db2.gz MUQSPRSIQHLYRL-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575018676 951026402 /nfs/dbraw/zinc/02/64/02/951026402.db2.gz OJEXKNAVCWHMTC-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575018676 951026417 /nfs/dbraw/zinc/02/64/17/951026417.db2.gz OJEXKNAVCWHMTC-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575020065 951051135 /nfs/dbraw/zinc/05/11/35/951051135.db2.gz XDEOXXXDWLVJQZ-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575020065 951051149 /nfs/dbraw/zinc/05/11/49/951051149.db2.gz XDEOXXXDWLVJQZ-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(F)c(F)c1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575023242 951076349 /nfs/dbraw/zinc/07/63/49/951076349.db2.gz LELBXNCLXYCAIO-MRVPVSSYSA-N -1 1 392.345 0.974 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575023579 951078588 /nfs/dbraw/zinc/07/85/88/951078588.db2.gz OEDXVFULSKOGCK-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575023579 951078606 /nfs/dbraw/zinc/07/86/06/951078606.db2.gz OEDXVFULSKOGCK-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1nccnc1-c1nnn[n-]1 ZINC001575023594 951082486 /nfs/dbraw/zinc/08/24/86/951082486.db2.gz OKXALIGNTAQWAZ-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1nccnc1-c1nn[n-]n1 ZINC001575023594 951082494 /nfs/dbraw/zinc/08/24/94/951082494.db2.gz OKXALIGNTAQWAZ-MRVPVSSYSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023870 951086578 /nfs/dbraw/zinc/08/65/78/951086578.db2.gz RDOKRYOSBVORIM-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023870 951086588 /nfs/dbraw/zinc/08/65/88/951086588.db2.gz RDOKRYOSBVORIM-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024354 951101773 /nfs/dbraw/zinc/10/17/73/951101773.db2.gz BOVRRZRTDJFMIU-WDEREUQCSA-N -1 1 380.412 0.632 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024584 951109022 /nfs/dbraw/zinc/10/90/22/951109022.db2.gz IEMQURDPPNSLBJ-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024584 951109029 /nfs/dbraw/zinc/10/90/29/951109029.db2.gz IEMQURDPPNSLBJ-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024601 951109284 /nfs/dbraw/zinc/10/92/84/951109284.db2.gz IWQMJYSCYQXITL-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024601 951109289 /nfs/dbraw/zinc/10/92/89/951109289.db2.gz IWQMJYSCYQXITL-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024705 951112488 /nfs/dbraw/zinc/11/24/88/951112488.db2.gz KZQFEZJJKVZKIW-LLVKDONJSA-N -1 1 380.412 0.942 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024705 951112501 /nfs/dbraw/zinc/11/25/01/951112501.db2.gz KZQFEZJJKVZKIW-LLVKDONJSA-N -1 1 380.412 0.942 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024816 951115217 /nfs/dbraw/zinc/11/52/17/951115217.db2.gz NECWIUOFSGVTFF-NSHDSACASA-N -1 1 380.412 0.942 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025443 951130680 /nfs/dbraw/zinc/13/06/80/951130680.db2.gz ZJFMJYMCVRMAGG-NSHDSACASA-N -1 1 380.412 0.492 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575026160 951138768 /nfs/dbraw/zinc/13/87/68/951138768.db2.gz FRMOLXIOFYVVRP-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575026160 951138772 /nfs/dbraw/zinc/13/87/72/951138772.db2.gz FRMOLXIOFYVVRP-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575028898 951176709 /nfs/dbraw/zinc/17/67/09/951176709.db2.gz PGYJFFNHGKXWRO-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575028898 951176718 /nfs/dbraw/zinc/17/67/18/951176718.db2.gz PGYJFFNHGKXWRO-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575029676 951189824 /nfs/dbraw/zinc/18/98/24/951189824.db2.gz WQVRHZZDNAXPBG-LBPRGKRZSA-N -1 1 381.444 0.623 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575030147 951193492 /nfs/dbraw/zinc/19/34/92/951193492.db2.gz ZWPGYNJUKSVMDY-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575030147 951193496 /nfs/dbraw/zinc/19/34/96/951193496.db2.gz ZWPGYNJUKSVMDY-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575031669 951200133 /nfs/dbraw/zinc/20/01/33/951200133.db2.gz GLUZHIBHFWYDRJ-VIFPVBQESA-N -1 1 389.370 0.889 20 0 GCADMM C[C@H](CNC(=O)c1cccn2nccc12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575031696 951201324 /nfs/dbraw/zinc/20/13/24/951201324.db2.gz HEBDNFLHZHMQNA-LLVKDONJSA-N -1 1 378.400 0.559 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575032291 951220446 /nfs/dbraw/zinc/22/04/46/951220446.db2.gz WKXOQHAVAABEFN-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575032291 951220458 /nfs/dbraw/zinc/22/04/58/951220458.db2.gz WKXOQHAVAABEFN-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575034346 951243485 /nfs/dbraw/zinc/24/34/85/951243485.db2.gz ATUWIMKYEYGTFR-MRVPVSSYSA-N -1 1 378.347 0.148 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575035341 951273704 /nfs/dbraw/zinc/27/37/04/951273704.db2.gz XDXIPDWUVFDBAC-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575035341 951273721 /nfs/dbraw/zinc/27/37/21/951273721.db2.gz XDXIPDWUVFDBAC-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575036005 951289065 /nfs/dbraw/zinc/28/90/65/951289065.db2.gz OLYVMKJEOYYPHP-NSHDSACASA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575036507 951294048 /nfs/dbraw/zinc/29/40/48/951294048.db2.gz TYHIZGNXOFJIDM-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575036507 951294059 /nfs/dbraw/zinc/29/40/59/951294059.db2.gz TYHIZGNXOFJIDM-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575036657 951298248 /nfs/dbraw/zinc/29/82/48/951298248.db2.gz VBWNZNXPARTHGF-NSHDSACASA-N -1 1 382.432 0.621 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575037584 951307328 /nfs/dbraw/zinc/30/73/28/951307328.db2.gz AWBDWICRWUYWCK-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575037584 951307339 /nfs/dbraw/zinc/30/73/39/951307339.db2.gz AWBDWICRWUYWCK-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575038253 951317146 /nfs/dbraw/zinc/31/71/46/951317146.db2.gz IKMNOHQOKWTMHU-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575038253 951317155 /nfs/dbraw/zinc/31/71/55/951317155.db2.gz IKMNOHQOKWTMHU-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575038859 951325481 /nfs/dbraw/zinc/32/54/81/951325481.db2.gz MIWPAUUOHIHNAW-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575038858 951326290 /nfs/dbraw/zinc/32/62/90/951326290.db2.gz MIWPAUUOHIHNAW-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575041946 951350895 /nfs/dbraw/zinc/35/08/95/951350895.db2.gz DNHSJAXMGRINIR-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575041946 951350906 /nfs/dbraw/zinc/35/09/06/951350906.db2.gz DNHSJAXMGRINIR-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)cn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575042179 951354610 /nfs/dbraw/zinc/35/46/10/951354610.db2.gz GUJPYLZHLBHZBC-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575042132 951355917 /nfs/dbraw/zinc/35/59/17/951355917.db2.gz GCHXWXNYJCLCRH-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575042132 951355929 /nfs/dbraw/zinc/35/59/29/951355929.db2.gz GCHXWXNYJCLCRH-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001575042439 951363601 /nfs/dbraw/zinc/36/36/01/951363601.db2.gz JPSZLCBJZRTULP-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001575042439 951363615 /nfs/dbraw/zinc/36/36/15/951363615.db2.gz JPSZLCBJZRTULP-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575042580 951365051 /nfs/dbraw/zinc/36/50/51/951365051.db2.gz KXZDAMHWFIPJQQ-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575042580 951365062 /nfs/dbraw/zinc/36/50/62/951365062.db2.gz KXZDAMHWFIPJQQ-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2ccccc2n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043012 951376383 /nfs/dbraw/zinc/37/63/83/951376383.db2.gz FJRORNOQDPSCFX-NSHDSACASA-N -1 1 390.411 0.855 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2ccccc2n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043012 951376398 /nfs/dbraw/zinc/37/63/98/951376398.db2.gz FJRORNOQDPSCFX-NSHDSACASA-N -1 1 390.411 0.855 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575043109 951378833 /nfs/dbraw/zinc/37/88/33/951378833.db2.gz PAKWQTZLTFZRRN-SNVBAGLBSA-N -1 1 383.420 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575043109 951378843 /nfs/dbraw/zinc/37/88/43/951378843.db2.gz PAKWQTZLTFZRRN-SNVBAGLBSA-N -1 1 383.420 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575043036 951379277 /nfs/dbraw/zinc/37/92/77/951379277.db2.gz NTPQJUCJEUVLSP-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575043031 951381101 /nfs/dbraw/zinc/38/11/01/951381101.db2.gz FQYAHWHINDKMBC-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575043031 951381114 /nfs/dbraw/zinc/38/11/14/951381114.db2.gz FQYAHWHINDKMBC-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001575043197 951382384 /nfs/dbraw/zinc/38/23/84/951382384.db2.gz GQJFYQKPDCNBRX-MWLCHTKSSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001575043197 951382396 /nfs/dbraw/zinc/38/23/96/951382396.db2.gz GQJFYQKPDCNBRX-MWLCHTKSSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2c(cnn2C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575043215 951382924 /nfs/dbraw/zinc/38/29/24/951382924.db2.gz GZEJOVCLOMEPQR-VIFPVBQESA-N -1 1 379.388 0.169 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2c(cnn2C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575043215 951382948 /nfs/dbraw/zinc/38/29/48/951382948.db2.gz GZEJOVCLOMEPQR-VIFPVBQESA-N -1 1 379.388 0.169 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043241 951383129 /nfs/dbraw/zinc/38/31/29/951383129.db2.gz PGUDVLBZBQDSJV-SNVBAGLBSA-N -1 1 383.420 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2cnccc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043163 951383259 /nfs/dbraw/zinc/38/32/59/951383259.db2.gz GITHFUAJTIOXPY-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2cnccc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043163 951383270 /nfs/dbraw/zinc/38/32/70/951383270.db2.gz GITHFUAJTIOXPY-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575043415 951390285 /nfs/dbraw/zinc/39/02/85/951390285.db2.gz IRDMONQCSGTCTP-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575043415 951390294 /nfs/dbraw/zinc/39/02/94/951390294.db2.gz IRDMONQCSGTCTP-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043493 951392319 /nfs/dbraw/zinc/39/23/19/951392319.db2.gz SAAZDJQDFQDXEV-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043493 951392330 /nfs/dbraw/zinc/39/23/30/951392330.db2.gz SAAZDJQDFQDXEV-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043727 951401840 /nfs/dbraw/zinc/40/18/40/951401840.db2.gz MNRLQVSDJDPDQT-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043816 951402327 /nfs/dbraw/zinc/40/23/27/951402327.db2.gz VTHIQGVBDNZJAY-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043816 951402336 /nfs/dbraw/zinc/40/23/36/951402336.db2.gz VTHIQGVBDNZJAY-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043723 951403753 /nfs/dbraw/zinc/40/37/53/951403753.db2.gz MNAAQRIPLOXERN-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043723 951403789 /nfs/dbraw/zinc/40/37/89/951403789.db2.gz MNAAQRIPLOXERN-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043918 951404463 /nfs/dbraw/zinc/40/44/63/951404463.db2.gz WRJPQLROHORWLL-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043918 951404471 /nfs/dbraw/zinc/40/44/71/951404471.db2.gz WRJPQLROHORWLL-JTQLQIEISA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043920 951405646 /nfs/dbraw/zinc/40/56/46/951405646.db2.gz WRJPQLROHORWLL-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043920 951405654 /nfs/dbraw/zinc/40/56/54/951405654.db2.gz WRJPQLROHORWLL-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043940 951405858 /nfs/dbraw/zinc/40/58/58/951405858.db2.gz WZYWGROIGYUAFR-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043940 951405867 /nfs/dbraw/zinc/40/58/67/951405867.db2.gz WZYWGROIGYUAFR-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575043883 951405994 /nfs/dbraw/zinc/40/59/94/951405994.db2.gz WIEWTFOEBUAEGY-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575043883 951406000 /nfs/dbraw/zinc/40/60/00/951406000.db2.gz WIEWTFOEBUAEGY-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575044191 951408863 /nfs/dbraw/zinc/40/88/63/951408863.db2.gz XUYZTHGAYIEBGQ-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575044191 951408867 /nfs/dbraw/zinc/40/88/67/951408867.db2.gz XUYZTHGAYIEBGQ-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575044351 951413028 /nfs/dbraw/zinc/41/30/28/951413028.db2.gz RJRZGLLXKFJFLF-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575044815 951417137 /nfs/dbraw/zinc/41/71/37/951417137.db2.gz VPGZPBAQZYFOJX-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575044815 951417146 /nfs/dbraw/zinc/41/71/46/951417146.db2.gz VPGZPBAQZYFOJX-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575044997 951422832 /nfs/dbraw/zinc/42/28/32/951422832.db2.gz YTHGOUVNFKQXAO-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575044997 951422841 /nfs/dbraw/zinc/42/28/41/951422841.db2.gz YTHGOUVNFKQXAO-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575045361 951425277 /nfs/dbraw/zinc/42/52/77/951425277.db2.gz AQHQJHWGPJRFRC-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575045361 951425284 /nfs/dbraw/zinc/42/52/84/951425284.db2.gz AQHQJHWGPJRFRC-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575045564 951427209 /nfs/dbraw/zinc/42/72/09/951427209.db2.gz DIKAYGXPQRVNRB-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575045564 951427215 /nfs/dbraw/zinc/42/72/15/951427215.db2.gz DIKAYGXPQRVNRB-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnc2nccn2c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575045609 951431001 /nfs/dbraw/zinc/43/10/01/951431001.db2.gz FGZGCGYYLIEMBJ-JTQLQIEISA-N -1 1 379.388 0.177 20 0 GCADMM C[C@H](CNC(=O)c1cnc2nccn2c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575045609 951431002 /nfs/dbraw/zinc/43/10/02/951431002.db2.gz FGZGCGYYLIEMBJ-JTQLQIEISA-N -1 1 379.388 0.177 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575046529 951442873 /nfs/dbraw/zinc/44/28/73/951442873.db2.gz OVCPEUPJVAZUCG-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575046529 951442899 /nfs/dbraw/zinc/44/28/99/951442899.db2.gz OVCPEUPJVAZUCG-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575051930 951456761 /nfs/dbraw/zinc/45/67/61/951456761.db2.gz BGVWXZFWTGQYIQ-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575051930 951456767 /nfs/dbraw/zinc/45/67/67/951456767.db2.gz BGVWXZFWTGQYIQ-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575051929 951457248 /nfs/dbraw/zinc/45/72/48/951457248.db2.gz BGVWXZFWTGQYIQ-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575051929 951457249 /nfs/dbraw/zinc/45/72/49/951457249.db2.gz BGVWXZFWTGQYIQ-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575052428 951463017 /nfs/dbraw/zinc/46/30/17/951463017.db2.gz JDYFZZNMXKVPRD-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575052428 951463024 /nfs/dbraw/zinc/46/30/24/951463024.db2.gz JDYFZZNMXKVPRD-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575052541 951468779 /nfs/dbraw/zinc/46/87/79/951468779.db2.gz LGANMMPWKHENNR-LLVKDONJSA-N -1 1 384.448 0.508 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575052773 951470681 /nfs/dbraw/zinc/47/06/81/951470681.db2.gz NYRGNQPXEZHJLY-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575052773 951470687 /nfs/dbraw/zinc/47/06/87/951470687.db2.gz NYRGNQPXEZHJLY-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575053287 951476430 /nfs/dbraw/zinc/47/64/30/951476430.db2.gz SCVLTSGTMCLKCQ-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575054553 951493047 /nfs/dbraw/zinc/49/30/47/951493047.db2.gz YDHKRXZFHQFZCA-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575054553 951493058 /nfs/dbraw/zinc/49/30/58/951493058.db2.gz YDHKRXZFHQFZCA-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575054551 951493554 /nfs/dbraw/zinc/49/35/54/951493554.db2.gz YDHKRXZFHQFZCA-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575054551 951493560 /nfs/dbraw/zinc/49/35/60/951493560.db2.gz YDHKRXZFHQFZCA-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575054996 951497841 /nfs/dbraw/zinc/49/78/41/951497841.db2.gz LFIHHQGAOINGEE-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575054996 951497846 /nfs/dbraw/zinc/49/78/46/951497846.db2.gz LFIHHQGAOINGEE-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cnn2ccccc12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575055619 951509902 /nfs/dbraw/zinc/50/99/02/951509902.db2.gz YHYIXGSTHPYMNN-NSHDSACASA-N -1 1 378.400 0.204 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575060949 951551830 /nfs/dbraw/zinc/55/18/30/951551830.db2.gz KHKUSDNXZMBIJR-JTQLQIEISA-N -1 1 382.432 0.737 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575061192 951555289 /nfs/dbraw/zinc/55/52/89/951555289.db2.gz LHZMZRQHDNRLAX-JTQLQIEISA-N -1 1 382.432 0.879 20 0 GCADMM C[C@H](CNC(=O)c1[nH]nc2ccccc21)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575062456 951568285 /nfs/dbraw/zinc/56/82/85/951568285.db2.gz WHBSIKUADSMXMW-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575064848 951578376 /nfs/dbraw/zinc/57/83/76/951578376.db2.gz DUIBPLKHZGYHIF-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575064848 951578388 /nfs/dbraw/zinc/57/83/88/951578388.db2.gz DUIBPLKHZGYHIF-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575065230 951582423 /nfs/dbraw/zinc/58/24/23/951582423.db2.gz ABMCRHPDIVDCPE-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575065230 951582432 /nfs/dbraw/zinc/58/24/32/951582432.db2.gz ABMCRHPDIVDCPE-SNVBAGLBSA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575065397 951583772 /nfs/dbraw/zinc/58/37/72/951583772.db2.gz CGKLRZHJHCDOSX-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575065397 951583779 /nfs/dbraw/zinc/58/37/79/951583779.db2.gz CGKLRZHJHCDOSX-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575065316 951583884 /nfs/dbraw/zinc/58/38/84/951583884.db2.gz GAWZVLKHORBPAS-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575065316 951583895 /nfs/dbraw/zinc/58/38/95/951583895.db2.gz GAWZVLKHORBPAS-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575067285 951607177 /nfs/dbraw/zinc/60/71/77/951607177.db2.gz QFKBWMCBQPVXDH-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575067285 951607183 /nfs/dbraw/zinc/60/71/83/951607183.db2.gz QFKBWMCBQPVXDH-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575067531 951614308 /nfs/dbraw/zinc/61/43/08/951614308.db2.gz UWRMLHIAWPJYEX-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575067531 951614316 /nfs/dbraw/zinc/61/43/16/951614316.db2.gz UWRMLHIAWPJYEX-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001575067653 951619216 /nfs/dbraw/zinc/61/92/16/951619216.db2.gz WWAURPCAOOYLDK-NXEZZACHSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001575067653 951619223 /nfs/dbraw/zinc/61/92/23/951619223.db2.gz WWAURPCAOOYLDK-NXEZZACHSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067966 951627161 /nfs/dbraw/zinc/62/71/61/951627161.db2.gz TWLKKVQOGMBHAE-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067966 951627166 /nfs/dbraw/zinc/62/71/66/951627166.db2.gz TWLKKVQOGMBHAE-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575068255 951631808 /nfs/dbraw/zinc/63/18/08/951631808.db2.gz YTMIMZMALGEQKX-NSHDSACASA-N -1 1 383.416 0.491 20 0 GCADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575068614 951636094 /nfs/dbraw/zinc/63/60/94/951636094.db2.gz CGNIOAIYZSQCSN-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575068614 951636096 /nfs/dbraw/zinc/63/60/96/951636096.db2.gz CGNIOAIYZSQCSN-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575069576 951645020 /nfs/dbraw/zinc/64/50/20/951645020.db2.gz KXPQTLQCANMJDE-MRVPVSSYSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@H](CNC(=O)c1scnc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575069669 951645732 /nfs/dbraw/zinc/64/57/32/951645732.db2.gz LNMMUWIBEPYQJA-VIFPVBQESA-N -1 1 385.457 0.891 20 0 GCADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575069573 951645852 /nfs/dbraw/zinc/64/58/52/951645852.db2.gz KXGZGQVPQDKIRP-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575069573 951645856 /nfs/dbraw/zinc/64/58/56/951645856.db2.gz KXGZGQVPQDKIRP-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575071351 951658724 /nfs/dbraw/zinc/65/87/24/951658724.db2.gz ZYMZBYWDEHTPOQ-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575071351 951658729 /nfs/dbraw/zinc/65/87/29/951658729.db2.gz ZYMZBYWDEHTPOQ-JTQLQIEISA-N -1 1 383.416 0.778 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NS(=O)(=O)c2occc2Br)C1=O ZINC001595095995 951813811 /nfs/dbraw/zinc/81/38/11/951813811.db2.gz CHZIFGJUSKYWTQ-VIFPVBQESA-N -1 1 395.231 0.786 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@]2(C1)c1nc[nH]c1CCN2CC(=O)NCC(=O)[O-] ZINC001602886738 971781186 /nfs/dbraw/zinc/78/11/86/971781186.db2.gz XJZWIISNCCRSHX-GOSISDBHSA-N -1 1 393.444 0.305 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575127919 952062444 /nfs/dbraw/zinc/06/24/44/952062444.db2.gz DIFJLODNECLWKP-CVEARBPZSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575127919 952062454 /nfs/dbraw/zinc/06/24/54/952062454.db2.gz DIFJLODNECLWKP-CVEARBPZSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575129030 952075241 /nfs/dbraw/zinc/07/52/41/952075241.db2.gz PDFGDROOMMJKKK-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575129030 952075250 /nfs/dbraw/zinc/07/52/50/952075250.db2.gz PDFGDROOMMJKKK-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)COCC(F)F)C1CC1 ZINC001575129583 952081399 /nfs/dbraw/zinc/08/13/99/952081399.db2.gz WEVGDZWAPLRLET-OAHLLOKOSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)COCC(F)F)C1CC1 ZINC001575129583 952081408 /nfs/dbraw/zinc/08/14/08/952081408.db2.gz WEVGDZWAPLRLET-OAHLLOKOSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575131778 952087765 /nfs/dbraw/zinc/08/77/65/952087765.db2.gz BJKHCMLJFIXRLL-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575131778 952087774 /nfs/dbraw/zinc/08/77/74/952087774.db2.gz BJKHCMLJFIXRLL-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575132557 952096296 /nfs/dbraw/zinc/09/62/96/952096296.db2.gz GGFAXMMLSPQOKF-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575132557 952096301 /nfs/dbraw/zinc/09/63/01/952096301.db2.gz GGFAXMMLSPQOKF-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575133519 952104289 /nfs/dbraw/zinc/10/42/89/952104289.db2.gz KOYJIUUEVUVFKG-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575133519 952104293 /nfs/dbraw/zinc/10/42/93/952104293.db2.gz KOYJIUUEVUVFKG-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575134101 952108645 /nfs/dbraw/zinc/10/86/45/952108645.db2.gz MBAGPXLCQVHGLK-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575134101 952108652 /nfs/dbraw/zinc/10/86/52/952108652.db2.gz MBAGPXLCQVHGLK-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575134454 952110379 /nfs/dbraw/zinc/11/03/79/952110379.db2.gz IEBBQJBFLLOYOB-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575134454 952110386 /nfs/dbraw/zinc/11/03/86/952110386.db2.gz IEBBQJBFLLOYOB-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1ccncc1 ZINC001575134652 952112673 /nfs/dbraw/zinc/11/26/73/952112673.db2.gz NZHALZKZZILAIC-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1ccncc1 ZINC001575134652 952112677 /nfs/dbraw/zinc/11/26/77/952112677.db2.gz NZHALZKZZILAIC-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575134714 952112683 /nfs/dbraw/zinc/11/26/83/952112683.db2.gz OLJPWPXBRWYFEM-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NCc2n[nH]c(C3CC3)n2)C1 ZINC001602892154 971804190 /nfs/dbraw/zinc/80/41/90/971804190.db2.gz GIZKOWNDCDSHGL-QGZVFWFLSA-N -1 1 395.416 0.389 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575136385 952124628 /nfs/dbraw/zinc/12/46/28/952124628.db2.gz VDPPRVVHBQGUBJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575136385 952124639 /nfs/dbraw/zinc/12/46/39/952124639.db2.gz VDPPRVVHBQGUBJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575136766 952127949 /nfs/dbraw/zinc/12/79/49/952127949.db2.gz WNVMAAWOYVSRMH-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575136766 952127951 /nfs/dbraw/zinc/12/79/51/952127951.db2.gz WNVMAAWOYVSRMH-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575137170 952135632 /nfs/dbraw/zinc/13/56/32/952135632.db2.gz VJYKRXMNIAYOEX-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575137170 952135636 /nfs/dbraw/zinc/13/56/36/952135636.db2.gz VJYKRXMNIAYOEX-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC001602892954 971806266 /nfs/dbraw/zinc/80/62/66/971806266.db2.gz MCMAVSOZYRRKFI-KPZWWZAWSA-N -1 1 394.428 0.994 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575143363 952151498 /nfs/dbraw/zinc/15/14/98/952151498.db2.gz OYGHTEPBGUIYJR-QGZVFWFLSA-N -1 1 381.400 0.190 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575143656 952155947 /nfs/dbraw/zinc/15/59/47/952155947.db2.gz QPXTUNOINXKLGR-GFCCVEGCSA-N -1 1 378.440 0.752 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575144445 952165716 /nfs/dbraw/zinc/16/57/16/952165716.db2.gz VSESBXJKEZSNTF-MNOVXSKESA-N -1 1 382.432 0.181 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cncc1F ZINC001575144724 952170766 /nfs/dbraw/zinc/17/07/66/952170766.db2.gz KUWHNRVMWOYUDE-MRVPVSSYSA-N -1 1 375.343 0.324 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575144843 952172183 /nfs/dbraw/zinc/17/21/83/952172183.db2.gz YFFMLOUWSLLBOE-LBPRGKRZSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575144968 952175605 /nfs/dbraw/zinc/17/56/05/952175605.db2.gz ZSQZSNDTQDKWOX-MRXNPFEDSA-N -1 1 385.457 0.475 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575144971 952175742 /nfs/dbraw/zinc/17/57/42/952175742.db2.gz ZTKQQTPEWFYWLT-HNNXBMFYSA-N -1 1 387.429 0.251 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575145127 952177956 /nfs/dbraw/zinc/17/79/56/952177956.db2.gz QTNRVIMCPYDGLA-LLVKDONJSA-N -1 1 380.412 0.681 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575145201 952180639 /nfs/dbraw/zinc/18/06/39/952180639.db2.gz SIGQZERKQXOWPE-LLVKDONJSA-N -1 1 379.428 0.924 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575145475 952184211 /nfs/dbraw/zinc/18/42/11/952184211.db2.gz YHHRKECLRMTUAP-MRVPVSSYSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[nH]n2)cn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575153183 952206940 /nfs/dbraw/zinc/20/69/40/952206940.db2.gz DTPOZRRCBVHZLC-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575153807 952212764 /nfs/dbraw/zinc/21/27/64/952212764.db2.gz LBNREGRNMUIVAT-QGZVFWFLSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575153807 952212773 /nfs/dbraw/zinc/21/27/73/952212773.db2.gz LBNREGRNMUIVAT-QGZVFWFLSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575153894 952214099 /nfs/dbraw/zinc/21/40/99/952214099.db2.gz LSQYGUVNECVBFS-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575153894 952214105 /nfs/dbraw/zinc/21/41/05/952214105.db2.gz LSQYGUVNECVBFS-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575153973 952215335 /nfs/dbraw/zinc/21/53/35/952215335.db2.gz MYEMTHVBEUUHGJ-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575153973 952215340 /nfs/dbraw/zinc/21/53/40/952215340.db2.gz MYEMTHVBEUUHGJ-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001595168921 952216156 /nfs/dbraw/zinc/21/61/56/952216156.db2.gz CODBBAGYIYRUCY-IKGGRYGDSA-N -1 1 379.482 0.987 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575154434 952222932 /nfs/dbraw/zinc/22/29/32/952222932.db2.gz DDBFXFKEAKWYLE-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575154434 952222938 /nfs/dbraw/zinc/22/29/38/952222938.db2.gz DDBFXFKEAKWYLE-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575154423 952223165 /nfs/dbraw/zinc/22/31/65/952223165.db2.gz CNKSEUMRZRIFAN-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575154423 952223171 /nfs/dbraw/zinc/22/31/71/952223171.db2.gz CNKSEUMRZRIFAN-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575154457 952223810 /nfs/dbraw/zinc/22/38/10/952223810.db2.gz DUKRPXJRIGVDMA-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575154457 952223816 /nfs/dbraw/zinc/22/38/16/952223816.db2.gz DUKRPXJRIGVDMA-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575154996 952232742 /nfs/dbraw/zinc/23/27/42/952232742.db2.gz JIQFTPUUCWZKGW-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575154996 952232747 /nfs/dbraw/zinc/23/27/47/952232747.db2.gz JIQFTPUUCWZKGW-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575155098 952234874 /nfs/dbraw/zinc/23/48/74/952234874.db2.gz KJIREZJZYLKGQH-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575155098 952234882 /nfs/dbraw/zinc/23/48/82/952234882.db2.gz KJIREZJZYLKGQH-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575155990 952246874 /nfs/dbraw/zinc/24/68/74/952246874.db2.gz QFRZVBIYYDEMMY-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575155990 952246878 /nfs/dbraw/zinc/24/68/78/952246878.db2.gz QFRZVBIYYDEMMY-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575155993 952247222 /nfs/dbraw/zinc/24/72/22/952247222.db2.gz QKAFOKBPBABMKW-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575155993 952247229 /nfs/dbraw/zinc/24/72/29/952247229.db2.gz QKAFOKBPBABMKW-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575155961 952247690 /nfs/dbraw/zinc/24/76/90/952247690.db2.gz BCXJHCWFTSHETJ-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575155961 952247692 /nfs/dbraw/zinc/24/76/92/952247692.db2.gz BCXJHCWFTSHETJ-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575156128 952248430 /nfs/dbraw/zinc/24/84/30/952248430.db2.gz CPRXCBBOIACIBF-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575156128 952248434 /nfs/dbraw/zinc/24/84/34/952248434.db2.gz CPRXCBBOIACIBF-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575156202 952248452 /nfs/dbraw/zinc/24/84/52/952248452.db2.gz QTXKAMUTFMAIHD-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575156202 952248457 /nfs/dbraw/zinc/24/84/57/952248457.db2.gz QTXKAMUTFMAIHD-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575156129 952248656 /nfs/dbraw/zinc/24/86/56/952248656.db2.gz CPRXCBBOIACIBF-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575156129 952248661 /nfs/dbraw/zinc/24/86/61/952248661.db2.gz CPRXCBBOIACIBF-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575156300 952251666 /nfs/dbraw/zinc/25/16/66/952251666.db2.gz SPPBWHGYEOAFPB-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575156300 952251671 /nfs/dbraw/zinc/25/16/71/952251671.db2.gz SPPBWHGYEOAFPB-QGZVFWFLSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccn2ccnc12 ZINC001575156501 952252871 /nfs/dbraw/zinc/25/28/71/952252871.db2.gz GIOTUEXVLMRXPB-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccn2ccnc12 ZINC001575156501 952252876 /nfs/dbraw/zinc/25/28/76/952252876.db2.gz GIOTUEXVLMRXPB-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575156525 952253281 /nfs/dbraw/zinc/25/32/81/952253281.db2.gz TZQYJRGVCFPSQJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575156525 952253285 /nfs/dbraw/zinc/25/32/85/952253285.db2.gz TZQYJRGVCFPSQJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575156602 952254656 /nfs/dbraw/zinc/25/46/56/952254656.db2.gz VQLYOAHGAOLDDP-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575156602 952254661 /nfs/dbraw/zinc/25/46/61/952254661.db2.gz VQLYOAHGAOLDDP-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575158034 952269944 /nfs/dbraw/zinc/26/99/44/952269944.db2.gz RGRSPNCJNVZOQQ-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575158034 952269951 /nfs/dbraw/zinc/26/99/51/952269951.db2.gz RGRSPNCJNVZOQQ-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575158316 952270172 /nfs/dbraw/zinc/27/01/72/952270172.db2.gz SVTLXHHXIOXCAL-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575158316 952270178 /nfs/dbraw/zinc/27/01/78/952270178.db2.gz SVTLXHHXIOXCAL-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COCc1ccncc1 ZINC001575158893 952274571 /nfs/dbraw/zinc/27/45/71/952274571.db2.gz XFJDDFNBZZPLQA-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COCc1ccncc1 ZINC001575158893 952274575 /nfs/dbraw/zinc/27/45/75/952274575.db2.gz XFJDDFNBZZPLQA-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575159273 952276544 /nfs/dbraw/zinc/27/65/44/952276544.db2.gz ZBNPPCGOGIKPAZ-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575159273 952276546 /nfs/dbraw/zinc/27/65/46/952276546.db2.gz ZBNPPCGOGIKPAZ-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575173981 952362365 /nfs/dbraw/zinc/36/23/65/952362365.db2.gz DSYUCKZFVRFWJU-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575173981 952362372 /nfs/dbraw/zinc/36/23/72/952362372.db2.gz DSYUCKZFVRFWJU-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575174207 952368437 /nfs/dbraw/zinc/36/84/37/952368437.db2.gz JLIOFSNAIDEMFA-SFHVURJKSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575174207 952368445 /nfs/dbraw/zinc/36/84/45/952368445.db2.gz JLIOFSNAIDEMFA-SFHVURJKSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575174351 952369464 /nfs/dbraw/zinc/36/94/64/952369464.db2.gz MTZWCXSXMMUXDO-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575174351 952369471 /nfs/dbraw/zinc/36/94/71/952369471.db2.gz MTZWCXSXMMUXDO-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575174391 952371196 /nfs/dbraw/zinc/37/11/96/952371196.db2.gz NOWBCEANKJTIHA-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575174391 952371204 /nfs/dbraw/zinc/37/12/04/952371204.db2.gz NOWBCEANKJTIHA-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001575174744 952377918 /nfs/dbraw/zinc/37/79/18/952377918.db2.gz RZTZRJIYNZGFAN-GNMIHRKOSA-N -1 1 396.455 0.777 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001575174744 952377926 /nfs/dbraw/zinc/37/79/26/952377926.db2.gz RZTZRJIYNZGFAN-GNMIHRKOSA-N -1 1 396.455 0.777 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCn1ccccc1=O ZINC001575174910 952380094 /nfs/dbraw/zinc/38/00/94/952380094.db2.gz UDGZRUYXTDLADB-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCn1ccccc1=O ZINC001575174910 952380095 /nfs/dbraw/zinc/38/00/95/952380095.db2.gz UDGZRUYXTDLADB-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575175319 952385119 /nfs/dbraw/zinc/38/51/19/952385119.db2.gz WWNQTBFRGJYILF-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575175319 952385124 /nfs/dbraw/zinc/38/51/24/952385124.db2.gz WWNQTBFRGJYILF-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575177246 952399165 /nfs/dbraw/zinc/39/91/65/952399165.db2.gz HOIRNMXIHPOGAI-NEPJUHHUSA-N -1 1 387.448 0.315 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575177246 952399174 /nfs/dbraw/zinc/39/91/74/952399174.db2.gz HOIRNMXIHPOGAI-NEPJUHHUSA-N -1 1 387.448 0.315 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cn(C)nn1 ZINC001575177561 952401207 /nfs/dbraw/zinc/40/12/07/952401207.db2.gz IIOCRKYIXZHUDB-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cn(C)nn1 ZINC001575177561 952401211 /nfs/dbraw/zinc/40/12/11/952401211.db2.gz IIOCRKYIXZHUDB-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575177735 952401910 /nfs/dbraw/zinc/40/19/10/952401910.db2.gz JJDFZAFWIVGCBS-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575177735 952401915 /nfs/dbraw/zinc/40/19/15/952401915.db2.gz JJDFZAFWIVGCBS-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575177597 952402363 /nfs/dbraw/zinc/40/23/63/952402363.db2.gz IJZBTYJRCLCMLG-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575177597 952402367 /nfs/dbraw/zinc/40/23/67/952402367.db2.gz IJZBTYJRCLCMLG-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001575178354 952406787 /nfs/dbraw/zinc/40/67/87/952406787.db2.gz OVWKATSCBUYPMR-OAHLLOKOSA-N -1 1 376.808 0.222 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575178755 952407796 /nfs/dbraw/zinc/40/77/96/952407796.db2.gz MNJHCPUBIJMRMY-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575178755 952407800 /nfs/dbraw/zinc/40/78/00/952407800.db2.gz MNJHCPUBIJMRMY-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnnn1C ZINC001575180535 952417773 /nfs/dbraw/zinc/41/77/73/952417773.db2.gz VPPXYZLJCWEWJB-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnnn1C ZINC001575180535 952417775 /nfs/dbraw/zinc/41/77/75/952417775.db2.gz VPPXYZLJCWEWJB-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571114309 952451515 /nfs/dbraw/zinc/45/15/15/952451515.db2.gz GJFXONIBCIADNU-KWQFWETISA-N -1 1 375.364 0.729 20 0 GCADMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571114308 952451631 /nfs/dbraw/zinc/45/16/31/952451631.db2.gz GJFXONIBCIADNU-KCJUWKMLSA-N -1 1 375.364 0.729 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575190577 952463245 /nfs/dbraw/zinc/46/32/45/952463245.db2.gz UNEQJNJNMLMCKX-LBPRGKRZSA-N -1 1 382.428 0.953 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](c2cnccn2)C1 ZINC001571115286 952465406 /nfs/dbraw/zinc/46/54/06/952465406.db2.gz UHAYMJGYFQNXFF-SNVBAGLBSA-N -1 1 375.389 0.974 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](c2cnccn2)C1 ZINC001571115286 952465411 /nfs/dbraw/zinc/46/54/11/952465411.db2.gz UHAYMJGYFQNXFF-SNVBAGLBSA-N -1 1 375.389 0.974 20 0 GCADMM CS(=O)(=O)N1CC[C@H](NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001571116613 952475809 /nfs/dbraw/zinc/47/58/09/952475809.db2.gz AKAVHEUNGXRMSZ-VIFPVBQESA-N -1 1 375.414 0.112 20 0 GCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCC[C@@H](n2ccnn2)CC1 ZINC001571116646 952476864 /nfs/dbraw/zinc/47/68/64/952476864.db2.gz BASUFNJJIMQQMW-LLVKDONJSA-N -1 1 375.418 0.269 20 0 GCADMM Cc1nonc1CC(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571116833 952477796 /nfs/dbraw/zinc/47/77/96/952477796.db2.gz DHXWIZDUBGVZMX-DTORHVGOSA-N -1 1 375.418 0.625 20 0 GCADMM Cc1cnc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)s1 ZINC001571118048 952486069 /nfs/dbraw/zinc/48/60/69/952486069.db2.gz SOWGDBKNMNRNGW-UHFFFAOYSA-N -1 1 375.418 0.373 20 0 GCADMM Cc1cnc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)s1 ZINC001571118048 952486073 /nfs/dbraw/zinc/48/60/73/952486073.db2.gz SOWGDBKNMNRNGW-UHFFFAOYSA-N -1 1 375.418 0.373 20 0 GCADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CCOCC2)c1-c1nn[n-]n1 ZINC001571118288 952486998 /nfs/dbraw/zinc/48/69/98/952486998.db2.gz UYOWVBXTUIHXRW-PJXYFTJBSA-N -1 1 375.458 0.609 20 0 GCADMM O=C(c1ccc(C(F)F)o1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571119398 952491269 /nfs/dbraw/zinc/49/12/69/952491269.db2.gz AJPRRLRFIZBZPT-MRVPVSSYSA-N -1 1 376.327 0.936 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575199993 952491551 /nfs/dbraw/zinc/49/15/51/952491551.db2.gz GNDVAQQBNLKZTI-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575199993 952491557 /nfs/dbraw/zinc/49/15/57/952491557.db2.gz GNDVAQQBNLKZTI-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@H]2C)n1 ZINC001571119554 952492053 /nfs/dbraw/zinc/49/20/53/952492053.db2.gz CQHAJABRLRYOIZ-VYROHLMNSA-N -1 1 376.396 0.353 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)[C@@]3(F)CCOC3)C[C@H]2C)n1 ZINC001571119554 952492056 /nfs/dbraw/zinc/49/20/56/952492056.db2.gz CQHAJABRLRYOIZ-VYROHLMNSA-N -1 1 376.396 0.353 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)cc1 ZINC001571119898 952497355 /nfs/dbraw/zinc/49/73/55/952497355.db2.gz HFNCEEVGDGFSFG-UOIKSKOESA-N -1 1 376.424 0.759 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)cc1 ZINC001571119898 952497360 /nfs/dbraw/zinc/49/73/60/952497360.db2.gz HFNCEEVGDGFSFG-UOIKSKOESA-N -1 1 376.424 0.759 20 0 GCADMM O=C(N[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571120057 952498537 /nfs/dbraw/zinc/49/85/37/952498537.db2.gz HMSSCIMIWNSSDD-LBPRGKRZSA-N -1 1 375.824 0.549 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)on1 ZINC001571120084 952498894 /nfs/dbraw/zinc/49/88/94/952498894.db2.gz JFFJHZUPBBUJSS-MRVPVSSYSA-N -1 1 376.402 0.955 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(C(F)F)o1 ZINC001571120230 952502392 /nfs/dbraw/zinc/50/23/92/952502392.db2.gz JWIQDDWKZAOHCU-ZKCHVHJHSA-N -1 1 376.327 0.982 20 0 GCADMM COCCN1C[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1=O ZINC001571120479 952503065 /nfs/dbraw/zinc/50/30/65/952503065.db2.gz NJEHWHSRZMSHFB-JTQLQIEISA-N -1 1 376.421 0.252 20 0 GCADMM COCCN1C[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1=O ZINC001571120479 952503068 /nfs/dbraw/zinc/50/30/68/952503068.db2.gz NJEHWHSRZMSHFB-JTQLQIEISA-N -1 1 376.421 0.252 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(C(F)F)n[nH]1 ZINC001571121238 952517463 /nfs/dbraw/zinc/51/74/63/952517463.db2.gz YWRZLJPCYIDRJW-ZETCQYMHSA-N -1 1 376.331 0.326 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(C(F)F)n[nH]1 ZINC001571121238 952517467 /nfs/dbraw/zinc/51/74/67/952517467.db2.gz YWRZLJPCYIDRJW-ZETCQYMHSA-N -1 1 376.331 0.326 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C3(F)CCOCC3)C2)n1 ZINC001571121376 952520260 /nfs/dbraw/zinc/52/02/60/952520260.db2.gz ZVVDZGYSMQGBBL-NSHDSACASA-N -1 1 376.396 0.497 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C3(F)CCOCC3)C2)n1 ZINC001571121376 952520262 /nfs/dbraw/zinc/52/02/62/952520262.db2.gz ZVVDZGYSMQGBBL-NSHDSACASA-N -1 1 376.396 0.497 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001571121381 952520720 /nfs/dbraw/zinc/52/07/20/952520720.db2.gz ZXZUEGDCOKIJDV-QLJPJBMISA-N -1 1 376.396 0.116 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001571121381 952520728 /nfs/dbraw/zinc/52/07/28/952520728.db2.gz ZXZUEGDCOKIJDV-QLJPJBMISA-N -1 1 376.396 0.116 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571123470 952531287 /nfs/dbraw/zinc/53/12/87/952531287.db2.gz SJINVLBUGGHQLW-NXEZZACHSA-N -1 1 376.446 0.171 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001575207866 952535768 /nfs/dbraw/zinc/53/57/68/952535768.db2.gz UPVWVIQXQFPJCU-JTQLQIEISA-N -1 1 387.452 0.111 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001575207866 952535772 /nfs/dbraw/zinc/53/57/72/952535772.db2.gz UPVWVIQXQFPJCU-JTQLQIEISA-N -1 1 387.452 0.111 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@@H](CF)c1ccc(F)cc1 ZINC001571124492 952540498 /nfs/dbraw/zinc/54/04/98/952540498.db2.gz KSJHPCZPXCASLK-NSHDSACASA-N -1 1 377.311 0.095 20 0 GCADMM O=C(N1CCOC[C@@H]1c1nn[n-]n1)C(F)(F)c1ccccc1-c1nn[nH]n1 ZINC001571124738 952543725 /nfs/dbraw/zinc/54/37/25/952543725.db2.gz SREIVXRGNYZYQW-SNVBAGLBSA-N -1 1 377.315 0.072 20 0 GCADMM Cc1ccncc1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571126975 952547471 /nfs/dbraw/zinc/54/74/71/952547471.db2.gz AZIIQYLTHMUGLJ-LAQFHYBYSA-N -1 1 377.412 0.154 20 0 GCADMM Cc1ccncc1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571126975 952547485 /nfs/dbraw/zinc/54/74/85/952547485.db2.gz AZIIQYLTHMUGLJ-LAQFHYBYSA-N -1 1 377.412 0.154 20 0 GCADMM Cc1cccc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)n1 ZINC001571127129 952550052 /nfs/dbraw/zinc/55/00/52/952550052.db2.gz GUYYNCXQYOPZAO-XYYAHUGASA-N -1 1 377.412 0.472 20 0 GCADMM Cc1cccc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001571127129 952550056 /nfs/dbraw/zinc/55/00/56/952550056.db2.gz GUYYNCXQYOPZAO-XYYAHUGASA-N -1 1 377.412 0.472 20 0 GCADMM O=S(=O)(NCC[C@@H]1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)s1 ZINC001571127202 952551533 /nfs/dbraw/zinc/55/15/33/952551533.db2.gz BDVXAZQXWYLHOG-QMMMGPOBSA-N -1 1 377.473 0.174 20 0 GCADMM O=S(=O)(NCC[C@@H]1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)s1 ZINC001571127202 952551536 /nfs/dbraw/zinc/55/15/36/952551536.db2.gz BDVXAZQXWYLHOG-QMMMGPOBSA-N -1 1 377.473 0.174 20 0 GCADMM CS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571127170 952551599 /nfs/dbraw/zinc/55/15/99/952551599.db2.gz ALTUKOCJTMNVDD-RXMQYKEDSA-N -1 1 377.839 0.627 20 0 GCADMM C[C@@]1(CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCS(=O)(=O)N1 ZINC001571127583 952558445 /nfs/dbraw/zinc/55/84/45/952558445.db2.gz JGMCALMSSLGRKW-JTQLQIEISA-N -1 1 377.839 0.387 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1csc(Cl)n1 ZINC001571127622 952558554 /nfs/dbraw/zinc/55/85/54/952558554.db2.gz KAGMZKKIXQHGRO-ZETCQYMHSA-N -1 1 377.821 0.775 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1csc(Cl)n1 ZINC001571127622 952558560 /nfs/dbraw/zinc/55/85/60/952558560.db2.gz KAGMZKKIXQHGRO-ZETCQYMHSA-N -1 1 377.821 0.775 20 0 GCADMM CC(F)(F)C1(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575213639 952558915 /nfs/dbraw/zinc/55/89/15/952558915.db2.gz DINBVKUZCSZPKV-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM CC(F)(F)C1(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575213639 952558918 /nfs/dbraw/zinc/55/89/18/952558918.db2.gz DINBVKUZCSZPKV-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)cn1 ZINC001571128437 952567420 /nfs/dbraw/zinc/56/74/20/952567420.db2.gz RYVMBLMWNBVGRF-ZSOGYDGISA-N -1 1 377.412 0.472 20 0 GCADMM Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)cn1 ZINC001571128437 952567421 /nfs/dbraw/zinc/56/74/21/952567421.db2.gz RYVMBLMWNBVGRF-ZSOGYDGISA-N -1 1 377.412 0.472 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571128523 952568298 /nfs/dbraw/zinc/56/82/98/952568298.db2.gz VTAAQJMXRNROQA-SNPRPXQTSA-N -1 1 377.412 0.900 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571128523 952568302 /nfs/dbraw/zinc/56/83/02/952568302.db2.gz VTAAQJMXRNROQA-SNPRPXQTSA-N -1 1 377.412 0.900 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCc2cccnc21 ZINC001571128527 952568943 /nfs/dbraw/zinc/56/89/43/952568943.db2.gz VYYZSZPBZJSHRR-FRRDWIJNSA-N -1 1 377.412 0.841 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCc2cccnc21 ZINC001571128527 952568948 /nfs/dbraw/zinc/56/89/48/952568948.db2.gz VYYZSZPBZJSHRR-FRRDWIJNSA-N -1 1 377.412 0.841 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccc2c1OCC2 ZINC001571129544 952575205 /nfs/dbraw/zinc/57/52/05/952575205.db2.gz GOTCGXARRNEVDL-LBPRGKRZSA-N -1 1 378.396 0.600 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccc2c1OCC2 ZINC001571129544 952575207 /nfs/dbraw/zinc/57/52/07/952575207.db2.gz GOTCGXARRNEVDL-LBPRGKRZSA-N -1 1 378.396 0.600 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001571129995 952577696 /nfs/dbraw/zinc/57/76/96/952577696.db2.gz MJUYIFXAWUXEFP-ZUZCIYMTSA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001571129995 952577697 /nfs/dbraw/zinc/57/76/97/952577697.db2.gz MJUYIFXAWUXEFP-ZUZCIYMTSA-N -1 1 378.387 0.987 20 0 GCADMM Cn1cnnc1[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001571130053 952579029 /nfs/dbraw/zinc/57/90/29/952579029.db2.gz OIOTWNILKXSJMC-VIFPVBQESA-N -1 1 378.393 0.313 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCC1(F)F ZINC001571130529 952580878 /nfs/dbraw/zinc/58/08/78/952580878.db2.gz SJTNCRVKWLTWHC-HBNTYKKESA-N -1 1 378.387 0.963 20 0 GCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001571130928 952582562 /nfs/dbraw/zinc/58/25/62/952582562.db2.gz YVCJFUMBOTZRPL-MNOVXSKESA-N -1 1 378.389 0.478 20 0 GCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001571130928 952582565 /nfs/dbraw/zinc/58/25/65/952582565.db2.gz YVCJFUMBOTZRPL-MNOVXSKESA-N -1 1 378.389 0.478 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)cc1 ZINC001571130895 952582572 /nfs/dbraw/zinc/58/25/72/952582572.db2.gz XVLNOOZQEICFBT-VIKVFOODSA-N -1 1 378.396 0.530 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)cc1 ZINC001571130895 952582575 /nfs/dbraw/zinc/58/25/75/952582575.db2.gz XVLNOOZQEICFBT-VIKVFOODSA-N -1 1 378.396 0.530 20 0 GCADMM O=C(c1cnccn1)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135697 952607659 /nfs/dbraw/zinc/60/76/59/952607659.db2.gz BGWUKKCGIXSSHK-FZMZJTMJSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1cnccn1)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135697 952607663 /nfs/dbraw/zinc/60/76/63/952607663.db2.gz BGWUKKCGIXSSHK-FZMZJTMJSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccncn1 ZINC001571135739 952607830 /nfs/dbraw/zinc/60/78/30/952607830.db2.gz CJTNDPVGCLDIPC-GUYCJALGSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccncn1 ZINC001571135739 952607832 /nfs/dbraw/zinc/60/78/32/952607832.db2.gz CJTNDPVGCLDIPC-GUYCJALGSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccncn1 ZINC001571135740 952608099 /nfs/dbraw/zinc/60/80/99/952608099.db2.gz CJTNDPVGCLDIPC-SUMWQHHRSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccncn1 ZINC001571135740 952608100 /nfs/dbraw/zinc/60/81/00/952608100.db2.gz CJTNDPVGCLDIPC-SUMWQHHRSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001571135712 952608173 /nfs/dbraw/zinc/60/81/73/952608173.db2.gz BNRGJGKWEMYCTJ-SECBINFHSA-N -1 1 378.414 0.098 20 0 GCADMM O=C(c1cnccn1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571135980 952610658 /nfs/dbraw/zinc/61/06/58/952610658.db2.gz JPYAVJPOWURMHU-TXEJJXNPSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cnccn1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571135980 952610661 /nfs/dbraw/zinc/61/06/61/952610661.db2.gz JPYAVJPOWURMHU-TXEJJXNPSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571136808 952616130 /nfs/dbraw/zinc/61/61/30/952616130.db2.gz WRCSYZLHLGMSAO-KGLIPLIRSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571136808 952616136 /nfs/dbraw/zinc/61/61/36/952616136.db2.gz WRCSYZLHLGMSAO-KGLIPLIRSA-N -1 1 378.400 0.330 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571136790 952616187 /nfs/dbraw/zinc/61/61/87/952616187.db2.gz WARCBNDGTUJBRR-NWDGAFQWSA-N -1 1 378.412 0.680 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571136790 952616191 /nfs/dbraw/zinc/61/61/91/952616191.db2.gz WARCBNDGTUJBRR-NWDGAFQWSA-N -1 1 378.412 0.680 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571136810 952616405 /nfs/dbraw/zinc/61/64/05/952616405.db2.gz WRCSYZLHLGMSAO-ZIAGYGMSSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571136810 952616407 /nfs/dbraw/zinc/61/64/07/952616407.db2.gz WRCSYZLHLGMSAO-ZIAGYGMSSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ccccc1O ZINC001571136971 952617341 /nfs/dbraw/zinc/61/73/41/952617341.db2.gz YNECVKJIYDEXOV-QKCSRTOESA-N -1 1 378.396 0.902 20 0 GCADMM O=C(c1ncoc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571140124 952623297 /nfs/dbraw/zinc/62/32/97/952623297.db2.gz OLOXISUKYJWZGJ-QWRGUYRKSA-N -1 1 379.384 0.625 20 0 GCADMM O=C(c1ncoc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571140124 952623299 /nfs/dbraw/zinc/62/32/99/952623299.db2.gz OLOXISUKYJWZGJ-QWRGUYRKSA-N -1 1 379.384 0.625 20 0 GCADMM Cc1c(Br)cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(=O)n1C ZINC001571141470 952633667 /nfs/dbraw/zinc/63/36/67/952633667.db2.gz HEEXMUSJJFFGOG-UHFFFAOYSA-N -1 1 379.178 0.612 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(=O)n(C)cc2Br)n1 ZINC001571141520 952633786 /nfs/dbraw/zinc/63/37/86/952633786.db2.gz HUXJFOHQLOHOMA-UHFFFAOYSA-N -1 1 379.178 0.314 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(=O)n(C)cc2Br)n1 ZINC001571141520 952633789 /nfs/dbraw/zinc/63/37/89/952633789.db2.gz HUXJFOHQLOHOMA-UHFFFAOYSA-N -1 1 379.178 0.314 20 0 GCADMM O=C(CO[C@@H]1CCOC1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571142315 952640256 /nfs/dbraw/zinc/64/02/56/952640256.db2.gz OXWOZMWWXBDZSB-GFCCVEGCSA-N -1 1 378.458 0.378 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571142322 952640304 /nfs/dbraw/zinc/64/03/04/952640304.db2.gz PAUXZHKQSTXZPG-DKTAMHABSA-N -1 1 378.440 0.500 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571142322 952640307 /nfs/dbraw/zinc/64/03/07/952640307.db2.gz PAUXZHKQSTXZPG-DKTAMHABSA-N -1 1 378.440 0.500 20 0 GCADMM Cc1ncccc1CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146021 952647315 /nfs/dbraw/zinc/64/73/15/952647315.db2.gz AADJNWULLZANJO-CQSZACIVSA-N -1 1 379.428 0.688 20 0 GCADMM Cc1ncccc1CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146021 952647318 /nfs/dbraw/zinc/64/73/18/952647318.db2.gz AADJNWULLZANJO-CQSZACIVSA-N -1 1 379.428 0.688 20 0 GCADMM O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571146233 952647604 /nfs/dbraw/zinc/64/76/04/952647604.db2.gz DTZGXKRIISLZJW-ZIAGYGMSSA-N -1 1 379.428 0.991 20 0 GCADMM O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571146233 952647614 /nfs/dbraw/zinc/64/76/14/952647614.db2.gz DTZGXKRIISLZJW-ZIAGYGMSSA-N -1 1 379.428 0.991 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cc2c([nH]1)CCC2 ZINC001571146507 952648964 /nfs/dbraw/zinc/64/89/64/952648964.db2.gz HRSALKOXWXOJDF-GFCCVEGCSA-N -1 1 379.428 0.872 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cc2c([nH]1)CCC2 ZINC001571146507 952648968 /nfs/dbraw/zinc/64/89/68/952648968.db2.gz HRSALKOXWXOJDF-GFCCVEGCSA-N -1 1 379.428 0.872 20 0 GCADMM Cn1cccc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571146748 952652195 /nfs/dbraw/zinc/65/21/95/952652195.db2.gz MMGSWYRPMHUNDI-QWHCGFSZSA-N -1 1 379.428 0.736 20 0 GCADMM Cn1cccc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571146748 952652198 /nfs/dbraw/zinc/65/21/98/952652198.db2.gz MMGSWYRPMHUNDI-QWHCGFSZSA-N -1 1 379.428 0.736 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571146767 952652322 /nfs/dbraw/zinc/65/23/22/952652322.db2.gz BJCWZOZNHIPYGY-ZDUSSCGKSA-N -1 1 379.428 0.731 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571146767 952652324 /nfs/dbraw/zinc/65/23/24/952652324.db2.gz BJCWZOZNHIPYGY-ZDUSSCGKSA-N -1 1 379.428 0.731 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571146840 952653246 /nfs/dbraw/zinc/65/32/46/952653246.db2.gz NSFRZJQQYVBBBA-AWEZNQCLSA-N -1 1 379.428 0.945 20 0 GCADMM O=C(Cc1cccnc1)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571146840 952653249 /nfs/dbraw/zinc/65/32/49/952653249.db2.gz NSFRZJQQYVBBBA-AWEZNQCLSA-N -1 1 379.428 0.945 20 0 GCADMM CCc1cccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571146947 952655694 /nfs/dbraw/zinc/65/56/94/952655694.db2.gz DLSCWCVTKPKCOF-RISCZKNCSA-N -1 1 379.428 0.609 20 0 GCADMM Cn1cccc1C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571147102 952657523 /nfs/dbraw/zinc/65/75/23/952657523.db2.gz SXKLIEVNMIOJFD-ZDUSSCGKSA-N -1 1 379.428 0.784 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001571147153 952657752 /nfs/dbraw/zinc/65/77/52/952657752.db2.gz HPRAUKTUWSMYKJ-UHFFFAOYSA-N -1 1 379.427 0.760 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001571147153 952657757 /nfs/dbraw/zinc/65/77/57/952657757.db2.gz HPRAUKTUWSMYKJ-UHFFFAOYSA-N -1 1 379.427 0.760 20 0 GCADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571147510 952662359 /nfs/dbraw/zinc/66/23/59/952662359.db2.gz MOGBHVPDQOBIKB-CYBMUJFWSA-N -1 1 379.428 0.464 20 0 GCADMM Cc1c[nH]cc1C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571147731 952663747 /nfs/dbraw/zinc/66/37/47/952663747.db2.gz PEJBTXHRAJJPIF-OLZOCXBDSA-N -1 1 379.428 0.892 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001571148328 952666596 /nfs/dbraw/zinc/66/65/96/952666596.db2.gz YNJMVUQEYVOTFJ-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001571148328 952666598 /nfs/dbraw/zinc/66/65/98/952666598.db2.gz YNJMVUQEYVOTFJ-TZMCWYRMSA-N -1 1 379.428 0.893 20 0 GCADMM Cc1ccn(C)c1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571148418 952667162 /nfs/dbraw/zinc/66/71/62/952667162.db2.gz ZAJKUPXIIQRYGI-IMRBUKKESA-N -1 1 379.428 0.477 20 0 GCADMM Cc1ccn(C)c1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571148418 952667163 /nfs/dbraw/zinc/66/71/63/952667163.db2.gz ZAJKUPXIIQRYGI-IMRBUKKESA-N -1 1 379.428 0.477 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)c1ccncc1 ZINC001571148335 952667188 /nfs/dbraw/zinc/66/71/88/952667188.db2.gz YPPBHIMDJKDISH-GXTWGEPZSA-N -1 1 379.428 0.969 20 0 GCADMM CCc1cncc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571148444 952667196 /nfs/dbraw/zinc/66/71/96/952667196.db2.gz ZRAYCRNTRCHVKY-AWEZNQCLSA-N -1 1 379.428 0.965 20 0 GCADMM Cc1c(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)ccn1C ZINC001571148408 952667237 /nfs/dbraw/zinc/66/72/37/952667237.db2.gz YTFLMMHZQLMUMK-BETUJISGSA-N -1 1 379.428 0.512 20 0 GCADMM Cc1c(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)ccn1C ZINC001571148408 952667238 /nfs/dbraw/zinc/66/72/38/952667238.db2.gz YTFLMMHZQLMUMK-BETUJISGSA-N -1 1 379.428 0.512 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccc1 ZINC001571148426 952667446 /nfs/dbraw/zinc/66/74/46/952667446.db2.gz ZGSDNTOZXUBPRP-HZSPNIEDSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccc1 ZINC001571148426 952667449 /nfs/dbraw/zinc/66/74/49/952667449.db2.gz ZGSDNTOZXUBPRP-HZSPNIEDSA-N -1 1 379.428 0.757 20 0 GCADMM Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@@H]3COCCO3)C2)c1-c1nn[n-]n1 ZINC001571151147 952673156 /nfs/dbraw/zinc/67/31/56/952673156.db2.gz MMOFVMALMMARQL-DCAQKATOSA-N -1 1 379.446 0.354 20 0 GCADMM CSCC1(CCNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001571151161 952673204 /nfs/dbraw/zinc/67/32/04/952673204.db2.gz MVIGJJYLXKKEJT-UHFFFAOYSA-N -1 1 379.446 0.169 20 0 GCADMM O=C(NCC[C@@]1(O)C(=O)Nc2ccccc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571152267 952682100 /nfs/dbraw/zinc/68/21/00/952682100.db2.gz GNVNZKDSIUGDNJ-KRWDZBQOSA-N -1 1 380.368 0.613 20 0 GCADMM O=C(NCC[C@@]1(O)C(=O)Nc2ccccc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571152267 952682102 /nfs/dbraw/zinc/68/21/02/952682102.db2.gz GNVNZKDSIUGDNJ-KRWDZBQOSA-N -1 1 380.368 0.613 20 0 GCADMM O=C(NCC[C@]1(O)C(=O)Nc2ccccc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571152268 952682403 /nfs/dbraw/zinc/68/24/03/952682403.db2.gz GNVNZKDSIUGDNJ-QGZVFWFLSA-N -1 1 380.368 0.613 20 0 GCADMM O=C(NCC[C@]1(O)C(=O)Nc2ccccc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571152268 952682405 /nfs/dbraw/zinc/68/24/05/952682405.db2.gz GNVNZKDSIUGDNJ-QGZVFWFLSA-N -1 1 380.368 0.613 20 0 GCADMM O=C(CNS(=O)(=O)c1cccnc1-c1nn[n-]n1)c1c(F)cccc1F ZINC001571152901 952684195 /nfs/dbraw/zinc/68/41/95/952684195.db2.gz KQLVMIICPABSCD-UHFFFAOYSA-N -1 1 380.336 0.701 20 0 GCADMM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CC(F)(F)C1 ZINC001571153608 952686958 /nfs/dbraw/zinc/68/69/58/952686958.db2.gz RXBKUJSODAWZFI-SNVBAGLBSA-N -1 1 380.359 0.023 20 0 GCADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CC(F)(F)C1 ZINC001571153608 952686963 /nfs/dbraw/zinc/68/69/63/952686963.db2.gz RXBKUJSODAWZFI-SNVBAGLBSA-N -1 1 380.359 0.023 20 0 GCADMM COCc1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571154833 952690856 /nfs/dbraw/zinc/69/08/56/952690856.db2.gz BYYAOJKABQLELM-ZDUSSCGKSA-N -1 1 380.412 0.552 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)cn1 ZINC001571155993 952699788 /nfs/dbraw/zinc/69/97/88/952699788.db2.gz AFHXZUUFDFZGES-NHYWBVRUSA-N -1 1 379.428 0.862 20 0 GCADMM Cc1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)cn1 ZINC001571155993 952699794 /nfs/dbraw/zinc/69/97/94/952699794.db2.gz AFHXZUUFDFZGES-NHYWBVRUSA-N -1 1 379.428 0.862 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2coc(C)c2)n1 ZINC001571155786 952700090 /nfs/dbraw/zinc/70/00/90/952700090.db2.gz ZZZRRDRMINXPSS-ATCWAGBWSA-N -1 1 380.412 0.985 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2coc(C)c2)n1 ZINC001571155786 952700092 /nfs/dbraw/zinc/70/00/92/952700092.db2.gz ZZZRRDRMINXPSS-ATCWAGBWSA-N -1 1 380.412 0.985 20 0 GCADMM Cc1cccnc1C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571157075 952705571 /nfs/dbraw/zinc/70/55/71/952705571.db2.gz MAEACKMPDXGOGW-ZDUSSCGKSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1cccnc1C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571157075 952705575 /nfs/dbraw/zinc/70/55/75/952705575.db2.gz MAEACKMPDXGOGW-ZDUSSCGKSA-N -1 1 379.428 0.959 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccc1C ZINC001571157918 952708363 /nfs/dbraw/zinc/70/83/63/952708363.db2.gz CONZJAYEDYQTLL-CYBMUJFWSA-N -1 1 380.412 0.982 20 0 GCADMM Cc1cnccc1C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571157979 952709037 /nfs/dbraw/zinc/70/90/37/952709037.db2.gz PGUPBICVMLFBSE-CYBMUJFWSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1cnccc1C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571157979 952709041 /nfs/dbraw/zinc/70/90/41/952709041.db2.gz PGUPBICVMLFBSE-CYBMUJFWSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1cnccc1C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571157980 952709448 /nfs/dbraw/zinc/70/94/48/952709448.db2.gz PGUPBICVMLFBSE-ZDUSSCGKSA-N -1 1 379.428 0.959 20 0 GCADMM Cc1cnccc1C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571157980 952709453 /nfs/dbraw/zinc/70/94/53/952709453.db2.gz PGUPBICVMLFBSE-ZDUSSCGKSA-N -1 1 379.428 0.959 20 0 GCADMM C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571158451 952711260 /nfs/dbraw/zinc/71/12/60/952711260.db2.gz IARDMCHPPMUMNV-TZMCWYRMSA-N -1 1 380.412 0.995 20 0 GCADMM C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571158451 952711263 /nfs/dbraw/zinc/71/12/63/952711263.db2.gz IARDMCHPPMUMNV-TZMCWYRMSA-N -1 1 380.412 0.995 20 0 GCADMM O=C(Cc1ccoc1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571161439 952733292 /nfs/dbraw/zinc/73/32/92/952733292.db2.gz VQSKKTUCCVCVLE-MJBXVCDLSA-N -1 1 380.412 0.966 20 0 GCADMM O=C(Cc1ccoc1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571161439 952733296 /nfs/dbraw/zinc/73/32/96/952733296.db2.gz VQSKKTUCCVCVLE-MJBXVCDLSA-N -1 1 380.412 0.966 20 0 GCADMM O=C(c1ccccc1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571161592 952733406 /nfs/dbraw/zinc/73/34/06/952733406.db2.gz XNCIVKFKDCKTII-SFHVURJKSA-N -1 1 380.412 0.736 20 0 GCADMM O=C(c1ccccc1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571161592 952733414 /nfs/dbraw/zinc/73/34/14/952733414.db2.gz XNCIVKFKDCKTII-SFHVURJKSA-N -1 1 380.412 0.736 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571161792 952733864 /nfs/dbraw/zinc/73/38/64/952733864.db2.gz AIVLNDKUSRHIDA-GXFFZTMASA-N -1 1 380.416 0.372 20 0 GCADMM C[C@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571161792 952733868 /nfs/dbraw/zinc/73/38/68/952733868.db2.gz AIVLNDKUSRHIDA-GXFFZTMASA-N -1 1 380.416 0.372 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)[nH]n1 ZINC001571161811 952735065 /nfs/dbraw/zinc/73/50/65/952735065.db2.gz BDQMCLKPIQDAPN-QWHCGFSZSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)[nH]n1 ZINC001571161811 952735069 /nfs/dbraw/zinc/73/50/69/952735069.db2.gz BDQMCLKPIQDAPN-QWHCGFSZSA-N -1 1 380.416 0.841 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cc(C)ncn3)C2)n1 ZINC001571161832 952735359 /nfs/dbraw/zinc/73/53/59/952735359.db2.gz BKSSNFICDFMIDA-NSHDSACASA-N -1 1 380.416 0.326 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cc(C)ncn3)C2)n1 ZINC001571161832 952735364 /nfs/dbraw/zinc/73/53/64/952735364.db2.gz BKSSNFICDFMIDA-NSHDSACASA-N -1 1 380.416 0.326 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001571161920 952736712 /nfs/dbraw/zinc/73/67/12/952736712.db2.gz FCNQMHHGHWYNIP-WZRBSPASSA-N -1 1 380.416 0.536 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001571161920 952736716 /nfs/dbraw/zinc/73/67/16/952736716.db2.gz FCNQMHHGHWYNIP-WZRBSPASSA-N -1 1 380.416 0.536 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571161888 952736744 /nfs/dbraw/zinc/73/67/44/952736744.db2.gz DIMQDYAGTHTERM-GFCCVEGCSA-N -1 1 380.416 0.477 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571161888 952736746 /nfs/dbraw/zinc/73/67/46/952736746.db2.gz DIMQDYAGTHTERM-GFCCVEGCSA-N -1 1 380.416 0.477 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571161979 952736965 /nfs/dbraw/zinc/73/69/65/952736965.db2.gz GWLZINXOLRKYCM-NWDGAFQWSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571161979 952736970 /nfs/dbraw/zinc/73/69/70/952736970.db2.gz GWLZINXOLRKYCM-NWDGAFQWSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571161963 952737256 /nfs/dbraw/zinc/73/72/56/952737256.db2.gz GLADIZRNWITXMQ-DGCLKSJQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571161963 952737264 /nfs/dbraw/zinc/73/72/64/952737264.db2.gz GLADIZRNWITXMQ-DGCLKSJQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)c(C)nn1 ZINC001571162018 952737515 /nfs/dbraw/zinc/73/75/15/952737515.db2.gz HXQGCLXCNFTJQO-KRWDZBQOSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)c(C)nn1 ZINC001571162018 952737519 /nfs/dbraw/zinc/73/75/19/952737519.db2.gz HXQGCLXCNFTJQO-KRWDZBQOSA-N -1 1 380.416 0.462 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571161982 952737553 /nfs/dbraw/zinc/73/75/53/952737553.db2.gz GWPJZECFSJMWQC-GHMZBOCLSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571161982 952737556 /nfs/dbraw/zinc/73/75/56/952737556.db2.gz GWPJZECFSJMWQC-GHMZBOCLSA-N -1 1 380.416 0.372 20 0 GCADMM Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)cnn1C ZINC001571162001 952737701 /nfs/dbraw/zinc/73/77/01/952737701.db2.gz HFTSETYTNLXJKG-OSMZGAPFSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)cnn1C ZINC001571162001 952737703 /nfs/dbraw/zinc/73/77/03/952737703.db2.gz HFTSETYTNLXJKG-OSMZGAPFSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)cnn1 ZINC001571161964 952737762 /nfs/dbraw/zinc/73/77/62/952737762.db2.gz GLADIZRNWITXMQ-WCQYABFASA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571161964 952737765 /nfs/dbraw/zinc/73/77/65/952737765.db2.gz GLADIZRNWITXMQ-WCQYABFASA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)ncn1 ZINC001571161970 952737801 /nfs/dbraw/zinc/73/78/01/952737801.db2.gz GPJDKXZKNUEWHH-UHFFFAOYSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)ncn1 ZINC001571161970 952737804 /nfs/dbraw/zinc/73/78/04/952737804.db2.gz GPJDKXZKNUEWHH-UHFFFAOYSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571162142 952739516 /nfs/dbraw/zinc/73/95/16/952739516.db2.gz LVTXUGHTXVXDOI-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ccnc(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571162142 952739518 /nfs/dbraw/zinc/73/95/18/952739518.db2.gz LVTXUGHTXVXDOI-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM CN(C)c1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)ccn1 ZINC001571162152 952739760 /nfs/dbraw/zinc/73/97/60/952739760.db2.gz MEPCRYIZHSVIBW-UHFFFAOYSA-N -1 1 380.416 0.080 20 0 GCADMM CN(C)c1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)ccn1 ZINC001571162152 952739765 /nfs/dbraw/zinc/73/97/65/952739765.db2.gz MEPCRYIZHSVIBW-UHFFFAOYSA-N -1 1 380.416 0.080 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cnn1 ZINC001571162148 952739799 /nfs/dbraw/zinc/73/97/99/952739799.db2.gz MBPZDWKIEDVCKB-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cnn1 ZINC001571162148 952739802 /nfs/dbraw/zinc/73/98/02/952739802.db2.gz MBPZDWKIEDVCKB-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)ncn1 ZINC001571162146 952739807 /nfs/dbraw/zinc/73/98/07/952739807.db2.gz LYGDRXNYTPJHTL-RYUDHWBXSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)ncn1 ZINC001571162146 952739808 /nfs/dbraw/zinc/73/98/08/952739808.db2.gz LYGDRXNYTPJHTL-RYUDHWBXSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3ccnnc3)CC[C@@H]2C)n1 ZINC001571162174 952740030 /nfs/dbraw/zinc/74/00/30/952740030.db2.gz MXCKWGODFJVVNS-WCQYABFASA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3ccnnc3)CC[C@@H]2C)n1 ZINC001571162174 952740034 /nfs/dbraw/zinc/74/00/34/952740034.db2.gz MXCKWGODFJVVNS-WCQYABFASA-N -1 1 380.416 0.542 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)[nH]n1 ZINC001571162183 952740137 /nfs/dbraw/zinc/74/01/37/952740137.db2.gz MYHHNIKZEPTCTM-QKCSRTOESA-N -1 1 380.416 0.482 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001571162183 952740141 /nfs/dbraw/zinc/74/01/41/952740141.db2.gz MYHHNIKZEPTCTM-QKCSRTOESA-N -1 1 380.416 0.482 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn2c1CCC2 ZINC001571162204 952740482 /nfs/dbraw/zinc/74/04/82/952740482.db2.gz NTYLJMUZWJAOTF-PWSUYJOCSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn2c1CCC2 ZINC001571162204 952740485 /nfs/dbraw/zinc/74/04/85/952740485.db2.gz NTYLJMUZWJAOTF-PWSUYJOCSA-N -1 1 380.416 0.515 20 0 GCADMM Cc1cc(C(=O)N[C@]2(C)CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571162278 952740638 /nfs/dbraw/zinc/74/06/38/952740638.db2.gz PKYWNVLDSIPGCW-QGZVFWFLSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(C(=O)N[C@]2(C)CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571162278 952740645 /nfs/dbraw/zinc/74/06/45/952740645.db2.gz PKYWNVLDSIPGCW-QGZVFWFLSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1nc[nH]c1C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571162259 952740899 /nfs/dbraw/zinc/74/08/99/952740899.db2.gz OYEGTARPSCZQSO-TXEJJXNPSA-N -1 1 380.416 0.205 20 0 GCADMM Cc1ccnc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)n1 ZINC001571162222 952740939 /nfs/dbraw/zinc/74/09/39/952740939.db2.gz OCKYEXCETAUCLJ-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccnc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)n1 ZINC001571162222 952740947 /nfs/dbraw/zinc/74/09/47/952740947.db2.gz OCKYEXCETAUCLJ-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@H]2NC(=O)c2ncccn2)n1 ZINC001571162248 952741164 /nfs/dbraw/zinc/74/11/64/952741164.db2.gz OQBUMWIUGRSLDY-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@H]2NC(=O)c2ncccn2)n1 ZINC001571162248 952741171 /nfs/dbraw/zinc/74/11/71/952741171.db2.gz OQBUMWIUGRSLDY-NWDGAFQWSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)cnn1 ZINC001571162226 952741285 /nfs/dbraw/zinc/74/12/85/952741285.db2.gz OEQCWXOBNQVRPL-WCQYABFASA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)cnn1 ZINC001571162226 952741288 /nfs/dbraw/zinc/74/12/88/952741288.db2.gz OEQCWXOBNQVRPL-WCQYABFASA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162310 952741915 /nfs/dbraw/zinc/74/19/15/952741915.db2.gz PZGQROGLDBHLEM-CYBMUJFWSA-N -1 1 380.416 0.496 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571162296 952742064 /nfs/dbraw/zinc/74/20/64/952742064.db2.gz PTGFHVODFWEUBM-ZYHUDNBSSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571162296 952742067 /nfs/dbraw/zinc/74/20/67/952742067.db2.gz PTGFHVODFWEUBM-ZYHUDNBSSA-N -1 1 380.416 0.372 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571162364 952742607 /nfs/dbraw/zinc/74/26/07/952742607.db2.gz RTYMATJCSKAYKF-SUMWQHHRSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571162364 952742611 /nfs/dbraw/zinc/74/26/11/952742611.db2.gz RTYMATJCSKAYKF-SUMWQHHRSA-N -1 1 380.416 0.620 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571162412 952742943 /nfs/dbraw/zinc/74/29/43/952742943.db2.gz SZKNXRBYIVEXHL-NEPJUHHUSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnccn2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571162412 952742946 /nfs/dbraw/zinc/74/29/46/952742946.db2.gz SZKNXRBYIVEXHL-NEPJUHHUSA-N -1 1 380.416 0.800 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571162361 952743195 /nfs/dbraw/zinc/74/31/95/952743195.db2.gz RTYMATJCSKAYKF-CXAGYDPISA-N -1 1 380.416 0.620 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571162361 952743198 /nfs/dbraw/zinc/74/31/98/952743198.db2.gz RTYMATJCSKAYKF-CXAGYDPISA-N -1 1 380.416 0.620 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCN(C(=O)c4cnn(C)c4)[C@@H]3C2)n1 ZINC001571162428 952743330 /nfs/dbraw/zinc/74/33/30/952743330.db2.gz UAQYHQCCPODNGY-SMDDNHRTSA-N -1 1 380.416 0.050 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCN(C(=O)c4cnn(C)c4)[C@@H]3C2)n1 ZINC001571162428 952743331 /nfs/dbraw/zinc/74/33/31/952743331.db2.gz UAQYHQCCPODNGY-SMDDNHRTSA-N -1 1 380.416 0.050 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571162362 952743512 /nfs/dbraw/zinc/74/35/12/952743512.db2.gz RTYMATJCSKAYKF-DYVFJYSZSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1n[nH]cc1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571162362 952743515 /nfs/dbraw/zinc/74/35/15/952743515.db2.gz RTYMATJCSKAYKF-DYVFJYSZSA-N -1 1 380.416 0.620 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCN1C(=O)c1cccnn1 ZINC001571162441 952743987 /nfs/dbraw/zinc/74/39/87/952743987.db2.gz UMEWQUIXBOOSQN-RISCZKNCSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCN1C(=O)c1cccnn1 ZINC001571162441 952743991 /nfs/dbraw/zinc/74/39/91/952743991.db2.gz UMEWQUIXBOOSQN-RISCZKNCSA-N -1 1 380.416 0.942 20 0 GCADMM CCc1nnc(C)cc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571162463 952744026 /nfs/dbraw/zinc/74/40/26/952744026.db2.gz USYZGCUNOCVVLS-UHFFFAOYSA-N -1 1 380.416 0.280 20 0 GCADMM CCc1nnc(C)cc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571162463 952744030 /nfs/dbraw/zinc/74/40/30/952744030.db2.gz USYZGCUNOCVVLS-UHFFFAOYSA-N -1 1 380.416 0.280 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)c3ccncn3)C2)n1 ZINC001571162482 952744115 /nfs/dbraw/zinc/74/41/15/952744115.db2.gz VPGXDVVTDQGDME-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)c3ccncn3)C2)n1 ZINC001571162482 952744116 /nfs/dbraw/zinc/74/41/16/952744116.db2.gz VPGXDVVTDQGDME-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571162566 952744283 /nfs/dbraw/zinc/74/42/83/952744283.db2.gz VUCRPZGSXYFRRO-YMTOWFKASA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571162566 952744290 /nfs/dbraw/zinc/74/42/90/952744290.db2.gz VUCRPZGSXYFRRO-YMTOWFKASA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)c3ccncn3)C2)n1 ZINC001571162554 952744433 /nfs/dbraw/zinc/74/44/33/952744433.db2.gz VPGXDVVTDQGDME-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)c3ccncn3)C2)n1 ZINC001571162554 952744439 /nfs/dbraw/zinc/74/44/39/952744439.db2.gz VPGXDVVTDQGDME-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)[nH]n1 ZINC001571162585 952744579 /nfs/dbraw/zinc/74/45/79/952744579.db2.gz VYJLTFQANIVOJC-SRVKXCTJSA-N -1 1 380.416 0.476 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)[nH]n1 ZINC001571162585 952744582 /nfs/dbraw/zinc/74/45/82/952744582.db2.gz VYJLTFQANIVOJC-SRVKXCTJSA-N -1 1 380.416 0.476 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)nn1 ZINC001571162686 952745123 /nfs/dbraw/zinc/74/51/23/952745123.db2.gz XVIZMLBAFFRGBA-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)nn1 ZINC001571162686 952745126 /nfs/dbraw/zinc/74/51/26/952745126.db2.gz XVIZMLBAFFRGBA-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001571162660 952745190 /nfs/dbraw/zinc/74/51/90/952745190.db2.gz XJBBVJOCFNRWKE-YMTOWFKASA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001571162660 952745195 /nfs/dbraw/zinc/74/51/95/952745195.db2.gz XJBBVJOCFNRWKE-YMTOWFKASA-N -1 1 380.416 0.636 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001571162634 952745585 /nfs/dbraw/zinc/74/55/85/952745585.db2.gz WSIBLOPLJWHVIA-ONGXEEELSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cncnc1 ZINC001571162705 952746294 /nfs/dbraw/zinc/74/62/94/952746294.db2.gz XYNMEYSONGQWLB-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cncnc1 ZINC001571162705 952746296 /nfs/dbraw/zinc/74/62/96/952746296.db2.gz XYNMEYSONGQWLB-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571165133 952747686 /nfs/dbraw/zinc/74/76/86/952747686.db2.gz CQFRFYCOKTXCQP-JTQLQIEISA-N -1 1 380.416 0.253 20 0 GCADMM Cn1cncc1C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571165220 952748293 /nfs/dbraw/zinc/74/82/93/952748293.db2.gz GLKGUJFHSBUEAJ-SMDDNHRTSA-N -1 1 380.416 0.131 20 0 GCADMM Cn1cncc1C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571165220 952748299 /nfs/dbraw/zinc/74/82/99/952748299.db2.gz GLKGUJFHSBUEAJ-SMDDNHRTSA-N -1 1 380.416 0.131 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165244 952749839 /nfs/dbraw/zinc/74/98/39/952749839.db2.gz GYCARYAPIUVUML-NSHDSACASA-N -1 1 380.416 0.276 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165244 952749845 /nfs/dbraw/zinc/74/98/45/952749845.db2.gz GYCARYAPIUVUML-NSHDSACASA-N -1 1 380.416 0.276 20 0 GCADMM Cn1cnc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nnn[n-]2)C3)c1 ZINC001571165473 952750602 /nfs/dbraw/zinc/75/06/02/952750602.db2.gz HTKFLIZMYHXNRS-GTNSWQLSSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1cnc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nn[n-]n2)C3)c1 ZINC001571165473 952750605 /nfs/dbraw/zinc/75/06/05/952750605.db2.gz HTKFLIZMYHXNRS-GTNSWQLSSA-N -1 1 380.416 0.179 20 0 GCADMM O=C(c1cn[nH]c1)N1CCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571165404 952751093 /nfs/dbraw/zinc/75/10/93/952751093.db2.gz CQIGWETVDJLKJD-QGZVFWFLSA-N -1 1 380.416 0.513 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571165455 952751139 /nfs/dbraw/zinc/75/11/39/952751139.db2.gz HGHQRWJTUUBZMG-CXAGYDPISA-N -1 1 380.416 0.240 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571165455 952751142 /nfs/dbraw/zinc/75/11/42/952751142.db2.gz HGHQRWJTUUBZMG-CXAGYDPISA-N -1 1 380.416 0.240 20 0 GCADMM Cn1nc(C2CC2)cc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165526 952752692 /nfs/dbraw/zinc/75/26/92/952752692.db2.gz IZIDXTGSLRCMQO-PHIMTYICSA-N -1 1 380.416 0.641 20 0 GCADMM Cn1nc(C2CC2)cc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165526 952752695 /nfs/dbraw/zinc/75/26/95/952752695.db2.gz IZIDXTGSLRCMQO-PHIMTYICSA-N -1 1 380.416 0.641 20 0 GCADMM O=C(c1cnc2n1CCC2)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571165574 952753469 /nfs/dbraw/zinc/75/34/69/952753469.db2.gz FTEIYIRPNRDIBU-LLVKDONJSA-N -1 1 380.416 0.374 20 0 GCADMM O=C(c1cnc2n1CCC2)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571165574 952753474 /nfs/dbraw/zinc/75/34/74/952753474.db2.gz FTEIYIRPNRDIBU-LLVKDONJSA-N -1 1 380.416 0.374 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(C2CC2)n[nH]1 ZINC001571165748 952753536 /nfs/dbraw/zinc/75/35/36/952753536.db2.gz JNYURXAAOHOBPI-LLVKDONJSA-N -1 1 380.416 0.656 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(C2CC2)n[nH]1 ZINC001571165748 952753541 /nfs/dbraw/zinc/75/35/41/952753541.db2.gz JNYURXAAOHOBPI-LLVKDONJSA-N -1 1 380.416 0.656 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1n[nH]c2c1CCC2 ZINC001571165750 952754432 /nfs/dbraw/zinc/75/44/32/952754432.db2.gz JOEYOROJJSWIPG-MGCOHNPYSA-N -1 1 380.416 0.489 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1n[nH]c2c1CCC2 ZINC001571165750 952754438 /nfs/dbraw/zinc/75/44/38/952754438.db2.gz JOEYOROJJSWIPG-MGCOHNPYSA-N -1 1 380.416 0.489 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccnnc1 ZINC001571165766 952754780 /nfs/dbraw/zinc/75/47/80/952754780.db2.gz JZANIYVHYRZRFX-WCQYABFASA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccnnc1 ZINC001571165766 952754787 /nfs/dbraw/zinc/75/47/87/952754787.db2.gz JZANIYVHYRZRFX-WCQYABFASA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnc2n1CCCC2 ZINC001571166109 952758112 /nfs/dbraw/zinc/75/81/12/952758112.db2.gz NYNIAADARIQRLK-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnc2n1CCCC2 ZINC001571166109 952758116 /nfs/dbraw/zinc/75/81/16/952758116.db2.gz NYNIAADARIQRLK-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC001571166123 952758850 /nfs/dbraw/zinc/75/88/50/952758850.db2.gz OFURSPQXRBILBO-JLLWLGSASA-N -1 1 380.416 0.244 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001571166146 952758970 /nfs/dbraw/zinc/75/89/70/952758970.db2.gz ORJFAYKZUDWCAO-GFCCVEGCSA-N -1 1 380.416 0.626 20 0 GCADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001571166146 952758974 /nfs/dbraw/zinc/75/89/74/952758974.db2.gz ORJFAYKZUDWCAO-GFCCVEGCSA-N -1 1 380.416 0.626 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571166138 952758998 /nfs/dbraw/zinc/75/89/98/952758998.db2.gz OOWPIEDVJVOFFT-GFCCVEGCSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571166138 952759000 /nfs/dbraw/zinc/75/90/00/952759000.db2.gz OOWPIEDVJVOFFT-GFCCVEGCSA-N -1 1 380.416 0.354 20 0 GCADMM O=C(c1cnn2c1CCC2)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571166374 952760849 /nfs/dbraw/zinc/76/08/49/952760849.db2.gz LWPZXTRDMHAYBG-NSHDSACASA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cnn2c1CCC2)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571166374 952760859 /nfs/dbraw/zinc/76/08/59/952760859.db2.gz LWPZXTRDMHAYBG-NSHDSACASA-N -1 1 380.416 0.516 20 0 GCADMM Cn1cncc1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166429 952761411 /nfs/dbraw/zinc/76/14/11/952761411.db2.gz RMEXRNUEQRSNGB-GUYCJALGSA-N -1 1 380.416 0.322 20 0 GCADMM Cn1cncc1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166429 952761412 /nfs/dbraw/zinc/76/14/12/952761412.db2.gz RMEXRNUEQRSNGB-GUYCJALGSA-N -1 1 380.416 0.322 20 0 GCADMM O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571166495 952761855 /nfs/dbraw/zinc/76/18/55/952761855.db2.gz MMXAFYAMYLXAKW-SNVBAGLBSA-N -1 1 380.416 0.585 20 0 GCADMM O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571166495 952761861 /nfs/dbraw/zinc/76/18/61/952761861.db2.gz MMXAFYAMYLXAKW-SNVBAGLBSA-N -1 1 380.416 0.585 20 0 GCADMM O=C([C@H]1CCCc2n[nH]cc21)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571166448 952761973 /nfs/dbraw/zinc/76/19/73/952761973.db2.gz RUAKHEMDIVVHLY-NSHDSACASA-N -1 1 380.416 0.149 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166465 952762459 /nfs/dbraw/zinc/76/24/59/952762459.db2.gz RYRWOIBMPXAYGJ-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166465 952762460 /nfs/dbraw/zinc/76/24/60/952762460.db2.gz RYRWOIBMPXAYGJ-VXGBXAGGSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571166586 952762885 /nfs/dbraw/zinc/76/28/85/952762885.db2.gz UAFVYWMDVOTJLJ-GFCCVEGCSA-N -1 1 380.416 0.544 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571166586 952762888 /nfs/dbraw/zinc/76/28/88/952762888.db2.gz UAFVYWMDVOTJLJ-GFCCVEGCSA-N -1 1 380.416 0.544 20 0 GCADMM O=C([C@@H]1CCc2cncn2C1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166749 952764328 /nfs/dbraw/zinc/76/43/28/952764328.db2.gz VJUDBNYKXLSWAU-NEPJUHHUSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@@H]1CCc2cncn2C1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166749 952764331 /nfs/dbraw/zinc/76/43/31/952764331.db2.gz VJUDBNYKXLSWAU-NEPJUHHUSA-N -1 1 380.416 0.129 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc2n(n1)CCCC2 ZINC001571166966 952767529 /nfs/dbraw/zinc/76/75/29/952767529.db2.gz ZQMLVXCHJXPMTR-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc2n(n1)CCCC2 ZINC001571166966 952767532 /nfs/dbraw/zinc/76/75/32/952767532.db2.gz ZQMLVXCHJXPMTR-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM Cc1cnc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@H](C)C2)cn1 ZINC001571166967 952768057 /nfs/dbraw/zinc/76/80/57/952768057.db2.gz ZQNOEPLAMXNXGK-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cnc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@H](C)C2)cn1 ZINC001571166967 952768061 /nfs/dbraw/zinc/76/80/61/952768061.db2.gz ZQNOEPLAMXNXGK-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571167061 952769464 /nfs/dbraw/zinc/76/94/64/952769464.db2.gz UQHOFFYEIOATQO-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571167061 952769468 /nfs/dbraw/zinc/76/94/68/952769468.db2.gz UQHOFFYEIOATQO-GFCCVEGCSA-N -1 1 380.416 0.801 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)c1-c1nnn[n-]1 ZINC001571167224 952771470 /nfs/dbraw/zinc/77/14/70/952771470.db2.gz YWJCJHOUHYENDJ-SNVBAGLBSA-N -1 1 380.430 0.322 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)c1-c1nn[n-]n1 ZINC001571167224 952771474 /nfs/dbraw/zinc/77/14/74/952771474.db2.gz YWJCJHOUHYENDJ-SNVBAGLBSA-N -1 1 380.430 0.322 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571170193 952783676 /nfs/dbraw/zinc/78/36/76/952783676.db2.gz FUKPAWTUNVHCGI-UHFFFAOYSA-N -1 1 381.400 0.282 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571170193 952783680 /nfs/dbraw/zinc/78/36/80/952783680.db2.gz FUKPAWTUNVHCGI-UHFFFAOYSA-N -1 1 381.400 0.282 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccncc1F ZINC001571170358 952784845 /nfs/dbraw/zinc/78/48/45/952784845.db2.gz HIUCKFWXCQAPTK-CNDDSTCGSA-N -1 1 381.375 0.303 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccncc1F ZINC001571170358 952784847 /nfs/dbraw/zinc/78/48/47/952784847.db2.gz HIUCKFWXCQAPTK-CNDDSTCGSA-N -1 1 381.375 0.303 20 0 GCADMM CN(C(=O)c1ccc(=O)[nH]c1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571170213 952785056 /nfs/dbraw/zinc/78/50/56/952785056.db2.gz GFPOMHAWYSEPED-UHFFFAOYSA-N -1 1 381.400 0.498 20 0 GCADMM CCOc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571170364 952785159 /nfs/dbraw/zinc/78/51/59/952785159.db2.gz HNMNSNSYQQVGDM-GFCCVEGCSA-N -1 1 381.400 0.459 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)COc1cccnc1 ZINC001571170404 952785786 /nfs/dbraw/zinc/78/57/86/952785786.db2.gz ITQGPGZSZZGRFT-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)COc1cccnc1 ZINC001571170404 952785792 /nfs/dbraw/zinc/78/57/92/952785792.db2.gz ITQGPGZSZZGRFT-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)COc1cccnc1 ZINC001571170405 952786037 /nfs/dbraw/zinc/78/60/37/952786037.db2.gz ITQGPGZSZZGRFT-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)COc1cccnc1 ZINC001571170405 952786039 /nfs/dbraw/zinc/78/60/39/952786039.db2.gz ITQGPGZSZZGRFT-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nn[nH]n2)cn1 ZINC001571171048 952790340 /nfs/dbraw/zinc/79/03/40/952790340.db2.gz MLUCFEBIIUUYNS-WDEREUQCSA-N -1 1 381.400 0.545 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2ccon2)n1 ZINC001571171129 952791759 /nfs/dbraw/zinc/79/17/59/952791759.db2.gz PSHJUEGYLFUURI-CDMJZVDBSA-N -1 1 381.400 0.001 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2ccon2)n1 ZINC001571171129 952791765 /nfs/dbraw/zinc/79/17/65/952791765.db2.gz PSHJUEGYLFUURI-CDMJZVDBSA-N -1 1 381.400 0.001 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(=O)n1C ZINC001571171253 952791861 /nfs/dbraw/zinc/79/18/61/952791861.db2.gz QFIQMYODRPVMND-WDEREUQCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(=O)n1C ZINC001571171253 952791865 /nfs/dbraw/zinc/79/18/65/952791865.db2.gz QFIQMYODRPVMND-WDEREUQCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571171409 952792555 /nfs/dbraw/zinc/79/25/55/952792555.db2.gz SKMACIKIVKPHPK-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571171409 952792556 /nfs/dbraw/zinc/79/25/56/952792556.db2.gz SKMACIKIVKPHPK-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc(=O)[nH]1 ZINC001571171311 952793048 /nfs/dbraw/zinc/79/30/48/952793048.db2.gz QUYRJDUZQFRTSE-GFCCVEGCSA-N -1 1 381.400 0.328 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc(=O)[nH]1 ZINC001571171311 952793050 /nfs/dbraw/zinc/79/30/50/952793050.db2.gz QUYRJDUZQFRTSE-GFCCVEGCSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1nc[nH]n1 ZINC001571171517 952793551 /nfs/dbraw/zinc/79/35/51/952793551.db2.gz BHPMLCOURXJEST-RITPCOANSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1nc[nH]n1 ZINC001571171517 952793553 /nfs/dbraw/zinc/79/35/53/952793553.db2.gz BHPMLCOURXJEST-RITPCOANSA-N -1 1 380.825 0.810 20 0 GCADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571171499 952794144 /nfs/dbraw/zinc/79/41/44/952794144.db2.gz AULHRPSIQYIHMY-OYQDBORRSA-N -1 1 380.456 0.988 20 0 GCADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571171499 952794146 /nfs/dbraw/zinc/79/41/46/952794146.db2.gz AULHRPSIQYIHMY-OYQDBORRSA-N -1 1 380.456 0.988 20 0 GCADMM C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171657 952796196 /nfs/dbraw/zinc/79/61/96/952796196.db2.gz VBUOZBKWHBFANW-WDEREUQCSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571171657 952796202 /nfs/dbraw/zinc/79/62/02/952796202.db2.gz VBUOZBKWHBFANW-WDEREUQCSA-N -1 1 381.400 0.720 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc(=O)[nH]1 ZINC001571171803 952796949 /nfs/dbraw/zinc/79/69/49/952796949.db2.gz WVUCHZXJKZJMDB-HAQNSBGRSA-N -1 1 381.400 0.693 20 0 GCADMM CCc1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc(=O)[nH]1 ZINC001571171803 952796951 /nfs/dbraw/zinc/79/69/51/952796951.db2.gz WVUCHZXJKZJMDB-HAQNSBGRSA-N -1 1 381.400 0.693 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001571171829 952797737 /nfs/dbraw/zinc/79/77/37/952797737.db2.gz XPVAHKIJVCQBJK-LBPRGKRZSA-N -1 1 381.400 0.402 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)c1cccc(=O)[nH]1 ZINC001571171829 952797739 /nfs/dbraw/zinc/79/77/39/952797739.db2.gz XPVAHKIJVCQBJK-LBPRGKRZSA-N -1 1 381.400 0.402 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001571172002 952800432 /nfs/dbraw/zinc/80/04/32/952800432.db2.gz ZZZKCPAJHPDKII-KOLCDFICSA-N -1 1 381.400 0.659 20 0 GCADMM Cc1nn(C)c(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1Br ZINC001571171977 952800742 /nfs/dbraw/zinc/80/07/42/952800742.db2.gz KBKOHAMNMKWCDR-ZCFIWIBFSA-N -1 1 381.198 0.462 20 0 GCADMM C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571172822 952808271 /nfs/dbraw/zinc/80/82/71/952808271.db2.gz YJLMPAAPTFAAFO-WDSKDSINSA-N -1 1 380.825 0.667 20 0 GCADMM C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571172822 952808274 /nfs/dbraw/zinc/80/82/74/952808274.db2.gz YJLMPAAPTFAAFO-WDSKDSINSA-N -1 1 380.825 0.667 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 ZINC001571174554 952810395 /nfs/dbraw/zinc/81/03/95/952810395.db2.gz AEVUGBRUMHXKFD-LLVKDONJSA-N -1 1 381.400 0.873 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 ZINC001571174554 952810403 /nfs/dbraw/zinc/81/04/03/952810403.db2.gz AEVUGBRUMHXKFD-LLVKDONJSA-N -1 1 381.400 0.873 20 0 GCADMM COc1ncccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571174587 952811088 /nfs/dbraw/zinc/81/10/88/952811088.db2.gz BCCPIQYASDJONJ-PWSUYJOCSA-N -1 1 381.400 0.458 20 0 GCADMM COc1ncccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571174587 952811096 /nfs/dbraw/zinc/81/10/96/952811096.db2.gz BCCPIQYASDJONJ-PWSUYJOCSA-N -1 1 381.400 0.458 20 0 GCADMM COc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571174641 952811871 /nfs/dbraw/zinc/81/18/71/952811871.db2.gz CXHBZXKJHAPWJE-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571174641 952811879 /nfs/dbraw/zinc/81/18/79/952811879.db2.gz CXHBZXKJHAPWJE-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571174622 952812064 /nfs/dbraw/zinc/81/20/64/952812064.db2.gz CBYHJIRWKRGUKG-KRWDZBQOSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571174622 952812065 /nfs/dbraw/zinc/81/20/65/952812065.db2.gz CBYHJIRWKRGUKG-KRWDZBQOSA-N -1 1 381.400 0.459 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571174715 952812550 /nfs/dbraw/zinc/81/25/50/952812550.db2.gz GAGLPRGVADSOKT-LBPRGKRZSA-N -1 1 381.400 0.498 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571174715 952812556 /nfs/dbraw/zinc/81/25/56/952812556.db2.gz GAGLPRGVADSOKT-LBPRGKRZSA-N -1 1 381.400 0.498 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571174687 952812999 /nfs/dbraw/zinc/81/29/99/952812999.db2.gz FFNAHAHXKFRYKR-MNOVXSKESA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571174687 952813004 /nfs/dbraw/zinc/81/30/04/952813004.db2.gz FFNAHAHXKFRYKR-MNOVXSKESA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)n1 ZINC001571174840 952814998 /nfs/dbraw/zinc/81/49/98/952814998.db2.gz JXLWFMYWWZIXKX-GHMZBOCLSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)n1 ZINC001571174840 952815004 /nfs/dbraw/zinc/81/50/04/952815004.db2.gz JXLWFMYWWZIXKX-GHMZBOCLSA-N -1 1 381.400 0.775 20 0 GCADMM Cc1cc(=O)c(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571174869 952815512 /nfs/dbraw/zinc/81/55/12/952815512.db2.gz LCPQNHSANARDGW-LLVKDONJSA-N -1 1 381.400 0.228 20 0 GCADMM Cc1cc(=O)c(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571174869 952815516 /nfs/dbraw/zinc/81/55/16/952815516.db2.gz LCPQNHSANARDGW-LLVKDONJSA-N -1 1 381.400 0.228 20 0 GCADMM COc1cc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001571174850 952815535 /nfs/dbraw/zinc/81/55/35/952815535.db2.gz KCRVHNMHTYZWQK-LBPRGKRZSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001571174850 952815548 /nfs/dbraw/zinc/81/55/48/952815548.db2.gz KCRVHNMHTYZWQK-LBPRGKRZSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001571174849 952816078 /nfs/dbraw/zinc/81/60/78/952816078.db2.gz KCRVHNMHTYZWQK-GFCCVEGCSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001571174849 952816084 /nfs/dbraw/zinc/81/60/84/952816084.db2.gz KCRVHNMHTYZWQK-GFCCVEGCSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571175075 952817042 /nfs/dbraw/zinc/81/70/42/952817042.db2.gz OWIMWFVHNHIXPV-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571175075 952817047 /nfs/dbraw/zinc/81/70/47/952817047.db2.gz OWIMWFVHNHIXPV-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM COc1ncccc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571175098 952817646 /nfs/dbraw/zinc/81/76/46/952817646.db2.gz PGTXSBSPOAKZKM-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM COc1ncccc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571175098 952817653 /nfs/dbraw/zinc/81/76/53/952817653.db2.gz PGTXSBSPOAKZKM-NSHDSACASA-N -1 1 381.400 0.411 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571175095 952818079 /nfs/dbraw/zinc/81/80/79/952818079.db2.gz PEJVGRQPKFMMBM-NSHDSACASA-N -1 1 381.400 0.695 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571175095 952818085 /nfs/dbraw/zinc/81/80/85/952818085.db2.gz PEJVGRQPKFMMBM-NSHDSACASA-N -1 1 381.400 0.695 20 0 GCADMM COc1cccc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571175123 952818675 /nfs/dbraw/zinc/81/86/75/952818675.db2.gz PYXJRPMJRBARNN-UHFFFAOYSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571175123 952818679 /nfs/dbraw/zinc/81/86/79/952818679.db2.gz PYXJRPMJRBARNN-UHFFFAOYSA-N -1 1 381.400 0.459 20 0 GCADMM COc1ccnc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571175389 952820788 /nfs/dbraw/zinc/82/07/88/952820788.db2.gz ULSYFVNKMQKRCT-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM Cc1cc(C)c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(=O)[nH]1 ZINC001571175400 952821321 /nfs/dbraw/zinc/82/13/21/952821321.db2.gz UPWJEDYSSUJKGE-NSHDSACASA-N -1 1 381.400 0.701 20 0 GCADMM Cc1cc(C)c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(=O)[nH]1 ZINC001571175400 952821324 /nfs/dbraw/zinc/82/13/24/952821324.db2.gz UPWJEDYSSUJKGE-NSHDSACASA-N -1 1 381.400 0.701 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cnc(C2CC2)o1 ZINC001571175437 952822106 /nfs/dbraw/zinc/82/21/06/952822106.db2.gz CSVIBXULCHQFTA-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cnc(C2CC2)o1 ZINC001571175437 952822111 /nfs/dbraw/zinc/82/21/11/952822111.db2.gz CSVIBXULCHQFTA-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM CN(C(=O)c1conc1C1CC1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571175609 952823282 /nfs/dbraw/zinc/82/32/82/952823282.db2.gz XDCQWBJCSCRBBW-LLVKDONJSA-N -1 1 381.400 0.873 20 0 GCADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(=O)[nH]1 ZINC001571175620 952823441 /nfs/dbraw/zinc/82/34/41/952823441.db2.gz XHWWOJYLOZDMTN-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(=O)[nH]1 ZINC001571175620 952823451 /nfs/dbraw/zinc/82/34/51/952823451.db2.gz XHWWOJYLOZDMTN-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(=O)[nH]1 ZINC001571175608 952823474 /nfs/dbraw/zinc/82/34/74/952823474.db2.gz WXTLBNOGVGZTRE-NSHDSACASA-N -1 1 381.400 0.465 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(=O)[nH]1 ZINC001571175608 952823483 /nfs/dbraw/zinc/82/34/83/952823483.db2.gz WXTLBNOGVGZTRE-NSHDSACASA-N -1 1 381.400 0.465 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cc[nH]c(=O)c1 ZINC001571175672 952823893 /nfs/dbraw/zinc/82/38/93/952823893.db2.gz DSYXKIINCHYMLP-LBPRGKRZSA-N -1 1 381.400 0.546 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cc[nH]c(=O)c1 ZINC001571175672 952823900 /nfs/dbraw/zinc/82/39/00/952823900.db2.gz DSYXKIINCHYMLP-LBPRGKRZSA-N -1 1 381.400 0.546 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571175628 952824266 /nfs/dbraw/zinc/82/42/66/952824266.db2.gz XNEGDNUJHDTEBD-NSHDSACASA-N -1 1 381.400 0.465 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3cccc(=O)[nH]3)C2)n1 ZINC001571175628 952824269 /nfs/dbraw/zinc/82/42/69/952824269.db2.gz XNEGDNUJHDTEBD-NSHDSACASA-N -1 1 381.400 0.465 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)ccc1=O ZINC001571175690 952825532 /nfs/dbraw/zinc/82/55/32/952825532.db2.gz FGQSSRNKHREZPK-GFCCVEGCSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)ccc1=O ZINC001571175690 952825541 /nfs/dbraw/zinc/82/55/41/952825541.db2.gz FGQSSRNKHREZPK-GFCCVEGCSA-N -1 1 381.400 0.072 20 0 GCADMM COc1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001571175777 952826236 /nfs/dbraw/zinc/82/62/36/952826236.db2.gz ZMQGKGDEWXGDOO-UHFFFAOYSA-N -1 1 381.400 0.459 20 0 GCADMM Cc1nc(C(=O)N2CCC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)co1 ZINC001571175925 952826525 /nfs/dbraw/zinc/82/65/25/952826525.db2.gz IHGWKHDKFYJERA-SMDDNHRTSA-N -1 1 381.400 0.694 20 0 GCADMM Cc1nc(C(=O)N2CCC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)co1 ZINC001571175925 952826533 /nfs/dbraw/zinc/82/65/33/952826533.db2.gz IHGWKHDKFYJERA-SMDDNHRTSA-N -1 1 381.400 0.694 20 0 GCADMM Cn1ccc(=O)c(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571175931 952826859 /nfs/dbraw/zinc/82/68/59/952826859.db2.gz INWJWXOUWMLKFA-NSHDSACASA-N -1 1 381.400 0.072 20 0 GCADMM Cn1ccc(=O)c(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571175931 952826865 /nfs/dbraw/zinc/82/68/65/952826865.db2.gz INWJWXOUWMLKFA-NSHDSACASA-N -1 1 381.400 0.072 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1)c1cocn1 ZINC001571176155 952828997 /nfs/dbraw/zinc/82/89/97/952828997.db2.gz MUARFUCNFZNIRE-GRYCIOLGSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[nH]n2)cn1)c1ncccc1[O-] ZINC001571176152 952829244 /nfs/dbraw/zinc/82/92/44/952829244.db2.gz MSTBBXXUILJDBJ-WDEREUQCSA-N -1 1 381.400 0.768 20 0 GCADMM Cc1cnoc1C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571176289 952829946 /nfs/dbraw/zinc/82/99/46/952829946.db2.gz OAKUTULXEGBOJK-NEPJUHHUSA-N -1 1 381.400 0.552 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1conc1C1CC1 ZINC001571176360 952830960 /nfs/dbraw/zinc/83/09/60/952830960.db2.gz QKTXTFLLIMZWSV-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1conc1C1CC1 ZINC001571176360 952830967 /nfs/dbraw/zinc/83/09/67/952830967.db2.gz QKTXTFLLIMZWSV-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC001571176346 952831232 /nfs/dbraw/zinc/83/12/32/952831232.db2.gz QDFYANAOBLCODQ-UHFFFAOYSA-N -1 1 381.400 0.011 20 0 GCADMM O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(=O)[nH]c1 ZINC001571176532 952831572 /nfs/dbraw/zinc/83/15/72/952831572.db2.gz STZCIFSSMHBYQF-LLVKDONJSA-N -1 1 381.400 0.404 20 0 GCADMM O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(=O)[nH]c1 ZINC001571176533 952831583 /nfs/dbraw/zinc/83/15/83/952831583.db2.gz STZCIFSSMHBYQF-NSHDSACASA-N -1 1 381.400 0.404 20 0 GCADMM Cc1ocnc1C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571176474 952832145 /nfs/dbraw/zinc/83/21/45/952832145.db2.gz RGVVUBCNSGXXQB-LBPRGKRZSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1ocnc1C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571176474 952832146 /nfs/dbraw/zinc/83/21/46/952832146.db2.gz RGVVUBCNSGXXQB-LBPRGKRZSA-N -1 1 381.400 0.742 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1noc2c1CCCC2 ZINC001571176535 952832985 /nfs/dbraw/zinc/83/29/85/952832985.db2.gz TUOQVIAQUZALPL-AOOOYVTPSA-N -1 1 381.400 0.896 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1noc2c1CCCC2 ZINC001571176535 952832990 /nfs/dbraw/zinc/83/29/90/952832990.db2.gz TUOQVIAQUZALPL-AOOOYVTPSA-N -1 1 381.400 0.896 20 0 GCADMM Cc1ncoc1C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571176543 952833684 /nfs/dbraw/zinc/83/36/84/952833684.db2.gz UGKCWYLNZPFLPZ-NSHDSACASA-N -1 1 381.400 0.742 20 0 GCADMM Cc1ocnc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571176883 952835682 /nfs/dbraw/zinc/83/56/82/952835682.db2.gz ZBPVWCWJDLZZAY-SRVKXCTJSA-N -1 1 381.400 0.740 20 0 GCADMM Cc1ocnc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571176883 952835688 /nfs/dbraw/zinc/83/56/88/952835688.db2.gz ZBPVWCWJDLZZAY-SRVKXCTJSA-N -1 1 381.400 0.740 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(C2CC2)on1 ZINC001571176925 952835800 /nfs/dbraw/zinc/83/58/00/952835800.db2.gz ZSRWMPVCRDUPLG-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(C2CC2)on1 ZINC001571176925 952835805 /nfs/dbraw/zinc/83/58/05/952835805.db2.gz ZSRWMPVCRDUPLG-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571178159 952835860 /nfs/dbraw/zinc/83/58/60/952835860.db2.gz ADKUSFZSVLOFPK-QFYYESIMSA-N -1 1 381.404 0.129 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571178159 952835867 /nfs/dbraw/zinc/83/58/67/952835867.db2.gz ADKUSFZSVLOFPK-QFYYESIMSA-N -1 1 381.404 0.129 20 0 GCADMM O=C(c1cnoc1C1CC1)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571178368 952838476 /nfs/dbraw/zinc/83/84/76/952838476.db2.gz GROHABBKHBYDHN-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM CC1=C(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)[C@H](C)n2ncnc2N1C ZINC001571178431 952840488 /nfs/dbraw/zinc/84/04/88/952840488.db2.gz IQLSFBQVDMFNHF-QMMMGPOBSA-N -1 1 381.404 0.982 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)c3nccnc3N)C2)n1 ZINC001571178433 952841060 /nfs/dbraw/zinc/84/10/60/952841060.db2.gz IUXMZTTZYABFRE-UHFFFAOYSA-N -1 1 381.404 0.052 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)c3nccnc3N)C2)n1 ZINC001571178433 952841062 /nfs/dbraw/zinc/84/10/62/952841062.db2.gz IUXMZTTZYABFRE-UHFFFAOYSA-N -1 1 381.404 0.052 20 0 GCADMM O=C(c1cccc(=O)[nH]1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571178593 952843545 /nfs/dbraw/zinc/84/35/45/952843545.db2.gz ODOSPYBOABURHL-LLVKDONJSA-N -1 1 381.400 0.864 20 0 GCADMM O=C(c1cccc(=O)[nH]1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571178593 952843548 /nfs/dbraw/zinc/84/35/48/952843548.db2.gz ODOSPYBOABURHL-LLVKDONJSA-N -1 1 381.400 0.864 20 0 GCADMM O=C(c1ncoc1C1CC1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571178668 952844883 /nfs/dbraw/zinc/84/48/83/952844883.db2.gz QQZOPUKNATWGKU-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1ncoc1C1CC1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571178668 952844885 /nfs/dbraw/zinc/84/48/85/952844885.db2.gz QQZOPUKNATWGKU-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1cc(C2CC2)on1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571178831 952848348 /nfs/dbraw/zinc/84/83/48/952848348.db2.gz VYLYOTJCLVRUJL-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1cc(C2CC2)on1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571178831 952848352 /nfs/dbraw/zinc/84/83/52/952848352.db2.gz VYLYOTJCLVRUJL-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1cnco1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571178931 952850490 /nfs/dbraw/zinc/85/04/90/952850490.db2.gz YLLXQRSRJBMXFK-RYUDHWBXSA-N -1 1 381.400 0.776 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2CNC(=O)c2cccn2C)n1 ZINC001571183827 952883286 /nfs/dbraw/zinc/88/32/86/952883286.db2.gz KMKKVQBNXFNMND-GFCCVEGCSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2CNC(=O)c2cccn2C)n1 ZINC001571183827 952883295 /nfs/dbraw/zinc/88/32/95/952883295.db2.gz KMKKVQBNXFNMND-GFCCVEGCSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2CNC(=O)c2cccn2C)n1 ZINC001571183828 952883593 /nfs/dbraw/zinc/88/35/93/952883593.db2.gz KMKKVQBNXFNMND-LBPRGKRZSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2CNC(=O)c2cccn2C)n1 ZINC001571183828 952883598 /nfs/dbraw/zinc/88/35/98/952883598.db2.gz KMKKVQBNXFNMND-LBPRGKRZSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1c(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)ccn1C ZINC001571183902 952884824 /nfs/dbraw/zinc/88/48/24/952884824.db2.gz MJMCCNZUQNFARA-LBPRGKRZSA-N -1 1 381.444 0.696 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3ccn(C)c3C)C2)n1 ZINC001571184054 952887120 /nfs/dbraw/zinc/88/71/20/952887120.db2.gz PGDPJSWHDBUJQD-GFCCVEGCSA-N -1 1 381.444 0.875 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3ccn(C)c3C)C2)n1 ZINC001571184054 952887123 /nfs/dbraw/zinc/88/71/23/952887123.db2.gz PGDPJSWHDBUJQD-GFCCVEGCSA-N -1 1 381.444 0.875 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](C)(NC(=O)c3cccn3C)C2)n1 ZINC001571184314 952890481 /nfs/dbraw/zinc/89/04/81/952890481.db2.gz WCGPFOOZYIFWRA-GOSISDBHSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](C)(NC(=O)c3cccn3C)C2)n1 ZINC001571184314 952890488 /nfs/dbraw/zinc/89/04/88/952890488.db2.gz WCGPFOOZYIFWRA-GOSISDBHSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3ccn(C)c3)[C@H]2C)n1 ZINC001571184333 952891532 /nfs/dbraw/zinc/89/15/32/952891532.db2.gz WHVDUTBLRWXQPU-YPMHNXCESA-N -1 1 381.444 0.955 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3ccn(C)c3)[C@H]2C)n1 ZINC001571184333 952891533 /nfs/dbraw/zinc/89/15/33/952891533.db2.gz WHVDUTBLRWXQPU-YPMHNXCESA-N -1 1 381.444 0.955 20 0 GCADMM CCn1cccc1C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571185281 952900745 /nfs/dbraw/zinc/90/07/45/952900745.db2.gz KIYPQGMHWOUZFO-ZDUSSCGKSA-N -1 1 381.444 0.864 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c(C)[nH]1 ZINC001571185485 952901860 /nfs/dbraw/zinc/90/18/60/952901860.db2.gz MGPVKNVYYARKGC-MFKMUULPSA-N -1 1 381.444 0.844 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)c3ccn(C)c3)CC2)n1 ZINC001571185683 952903227 /nfs/dbraw/zinc/90/32/27/952903227.db2.gz OFVUZRCVOMARBB-UHFFFAOYSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)c3ccn(C)c3)CC2)n1 ZINC001571185683 952903230 /nfs/dbraw/zinc/90/32/30/952903230.db2.gz OFVUZRCVOMARBB-UHFFFAOYSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1nsc(NC[C@H]2CN(C(=O)CC(C)(C)O)CCO2)c1-c1nn[n-]n1 ZINC001571188962 952922744 /nfs/dbraw/zinc/92/27/44/952922744.db2.gz KVOWYZMRJNILRY-JTQLQIEISA-N -1 1 381.462 0.432 20 0 GCADMM CO[C@@H](C)C(=O)N1CCC(O)(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571189384 952929447 /nfs/dbraw/zinc/92/94/47/952929447.db2.gz QQJPHRZXNJPIRI-JTQLQIEISA-N -1 1 381.462 0.432 20 0 GCADMM Cc1nonc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571189953 952937169 /nfs/dbraw/zinc/93/71/69/952937169.db2.gz AGDBZGWNMBKMKU-ZCFIWIBFSA-N -1 1 381.809 0.677 20 0 GCADMM Cc1nonc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571189953 952937179 /nfs/dbraw/zinc/93/71/79/952937179.db2.gz AGDBZGWNMBKMKU-ZCFIWIBFSA-N -1 1 381.809 0.677 20 0 GCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc[nH]c1=O ZINC001571193766 952951905 /nfs/dbraw/zinc/95/19/05/952951905.db2.gz BVKHUAQJZFDCEL-NXEZZACHSA-N -1 1 382.388 0.258 20 0 GCADMM COc1cc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571194111 952958565 /nfs/dbraw/zinc/95/85/65/952958565.db2.gz ITIBXXMUFRMAGO-GXSJLCMTSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571194111 952958576 /nfs/dbraw/zinc/95/85/76/952958576.db2.gz ITIBXXMUFRMAGO-GXSJLCMTSA-N -1 1 382.388 0.028 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001571194257 952960031 /nfs/dbraw/zinc/96/00/31/952960031.db2.gz KPKQZZJJRDPRMW-UHFFFAOYSA-N -1 1 382.388 0.259 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001571194257 952960037 /nfs/dbraw/zinc/96/00/37/952960037.db2.gz KPKQZZJJRDPRMW-UHFFFAOYSA-N -1 1 382.388 0.259 20 0 GCADMM COc1ncc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571194323 952961137 /nfs/dbraw/zinc/96/11/37/952961137.db2.gz MAXKMYHHPSASSZ-NSHDSACASA-N -1 1 382.388 0.172 20 0 GCADMM COc1ncc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571194323 952961141 /nfs/dbraw/zinc/96/11/41/952961141.db2.gz MAXKMYHHPSASSZ-NSHDSACASA-N -1 1 382.388 0.172 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571194569 952964370 /nfs/dbraw/zinc/96/43/70/952964370.db2.gz OUZFFLSQOHDVEO-UHFFFAOYSA-N -1 1 382.388 0.117 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571194569 952964378 /nfs/dbraw/zinc/96/43/78/952964378.db2.gz OUZFFLSQOHDVEO-UHFFFAOYSA-N -1 1 382.388 0.117 20 0 GCADMM COc1ccc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)o1 ZINC001571194690 952967443 /nfs/dbraw/zinc/96/74/43/952967443.db2.gz QZRRXHJIXRETTA-CMPLNLGQSA-N -1 1 382.384 0.609 20 0 GCADMM COc1ccc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)o1 ZINC001571194690 952967448 /nfs/dbraw/zinc/96/74/48/952967448.db2.gz QZRRXHJIXRETTA-CMPLNLGQSA-N -1 1 382.384 0.609 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571194800 952967776 /nfs/dbraw/zinc/96/77/76/952967776.db2.gz TZXWEETYANVYRJ-PSASIEDQSA-N -1 1 382.388 0.176 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571194800 952967779 /nfs/dbraw/zinc/96/77/79/952967779.db2.gz TZXWEETYANVYRJ-PSASIEDQSA-N -1 1 382.388 0.176 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571194893 952969423 /nfs/dbraw/zinc/96/94/23/952969423.db2.gz VELOJIGBWFYEEE-BXKDBHETSA-N -1 1 382.384 0.186 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(F)(F)F ZINC001571195034 952972661 /nfs/dbraw/zinc/97/26/61/952972661.db2.gz WQPUSOICKWNFMX-BBBLOLIVSA-N -1 1 382.350 0.750 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(F)(F)F ZINC001571195034 952972664 /nfs/dbraw/zinc/97/26/64/952972664.db2.gz WQPUSOICKWNFMX-BBBLOLIVSA-N -1 1 382.350 0.750 20 0 GCADMM O=C(N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnc[nH]c1=O ZINC001571195171 952975129 /nfs/dbraw/zinc/97/51/29/952975129.db2.gz YRPFYRAFVYZCQR-VHSXEESVSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnc[nH]c1=O ZINC001571195171 952975131 /nfs/dbraw/zinc/97/51/31/952975131.db2.gz YRPFYRAFVYZCQR-VHSXEESVSA-N -1 1 382.388 0.305 20 0 GCADMM COc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)nc1 ZINC001571195160 952975202 /nfs/dbraw/zinc/97/52/02/952975202.db2.gz YMDXCOXXGXGGJY-MWLCHTKSSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)nc1 ZINC001571195160 952975203 /nfs/dbraw/zinc/97/52/03/952975203.db2.gz YMDXCOXXGXGGJY-MWLCHTKSSA-N -1 1 382.388 0.170 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2ccco2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571199917 953005544 /nfs/dbraw/zinc/00/55/44/953005544.db2.gz CRMQOGNLFBNNDP-JSGCOSHPSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571201143 953015110 /nfs/dbraw/zinc/01/51/10/953015110.db2.gz NUVMQPKTMOJQHH-NLYKOAANSA-N -1 1 382.428 0.165 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571201143 953015113 /nfs/dbraw/zinc/01/51/13/953015113.db2.gz NUVMQPKTMOJQHH-NLYKOAANSA-N -1 1 382.428 0.165 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cccn2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571204568 953029631 /nfs/dbraw/zinc/02/96/31/953029631.db2.gz BFRZELRMZGBOEQ-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cccn2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571204568 953029636 /nfs/dbraw/zinc/02/96/36/953029636.db2.gz BFRZELRMZGBOEQ-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM CCCc1n[nH]cc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571204551 953029659 /nfs/dbraw/zinc/02/96/59/953029659.db2.gz AUJDWABTOJVCQY-LLVKDONJSA-N -1 1 382.432 0.683 20 0 GCADMM CCCc1n[nH]cc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571204551 953029663 /nfs/dbraw/zinc/02/96/63/953029663.db2.gz AUJDWABTOJVCQY-LLVKDONJSA-N -1 1 382.432 0.683 20 0 GCADMM CCc1nc(NC2CC(N(C)C(=O)c3nc(C)c[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571204549 953029846 /nfs/dbraw/zinc/02/98/46/953029846.db2.gz ATFYVTVOSKNXGH-UHFFFAOYSA-N -1 1 382.432 0.966 20 0 GCADMM CCc1nc(NC2CC(N(C)C(=O)c3nc(C)c[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571204549 953029851 /nfs/dbraw/zinc/02/98/51/953029851.db2.gz ATFYVTVOSKNXGH-UHFFFAOYSA-N -1 1 382.432 0.966 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001571204625 953031396 /nfs/dbraw/zinc/03/13/96/953031396.db2.gz BRCAPJNGWUONRZ-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001571204625 953031401 /nfs/dbraw/zinc/03/14/01/953031401.db2.gz BRCAPJNGWUONRZ-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001571204644 953031631 /nfs/dbraw/zinc/03/16/31/953031631.db2.gz ATRDEPGWVMDNGQ-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001571204644 953031636 /nfs/dbraw/zinc/03/16/36/953031636.db2.gz ATRDEPGWVMDNGQ-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM O=C(C1=CCOCC1)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571204691 953032130 /nfs/dbraw/zinc/03/21/30/953032130.db2.gz CBZDLMPKZWUHJD-DZGCQCFKSA-N -1 1 382.428 0.431 20 0 GCADMM O=C(C1=CCOCC1)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571204691 953032134 /nfs/dbraw/zinc/03/21/34/953032134.db2.gz CBZDLMPKZWUHJD-DZGCQCFKSA-N -1 1 382.428 0.431 20 0 GCADMM CCc1cc(C(=O)N(C)C2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)n(C)n1 ZINC001571204856 953033760 /nfs/dbraw/zinc/03/37/60/953033760.db2.gz DBTCBCWILKLPTO-UHFFFAOYSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N(C)C2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)n(C)n1 ZINC001571204856 953033763 /nfs/dbraw/zinc/03/37/63/953033763.db2.gz DBTCBCWILKLPTO-UHFFFAOYSA-N -1 1 382.432 0.668 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571204932 953033832 /nfs/dbraw/zinc/03/38/32/953033832.db2.gz DKZRXHLJSHTAEL-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571204932 953033837 /nfs/dbraw/zinc/03/38/37/953033837.db2.gz DKZRXHLJSHTAEL-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)Cn2cccn2)CC1 ZINC001571204880 953034029 /nfs/dbraw/zinc/03/40/29/953034029.db2.gz DQUZNVRROXJPSX-GFCCVEGCSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)Cn2cccn2)CC1 ZINC001571204880 953034036 /nfs/dbraw/zinc/03/40/36/953034036.db2.gz DQUZNVRROXJPSX-GFCCVEGCSA-N -1 1 382.432 0.592 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571204857 953034047 /nfs/dbraw/zinc/03/40/47/953034047.db2.gz DEFNDYGCDMWFTM-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM O=C(C1=CCOCC1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571205006 953035067 /nfs/dbraw/zinc/03/50/67/953035067.db2.gz FKEOTLBTXYZTBR-UONOGXRCSA-N -1 1 382.428 0.431 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571205177 953035702 /nfs/dbraw/zinc/03/57/02/953035702.db2.gz GWLXYGZBDHZJQA-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205177 953035708 /nfs/dbraw/zinc/03/57/08/953035708.db2.gz GWLXYGZBDHZJQA-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571205133 953035746 /nfs/dbraw/zinc/03/57/46/953035746.db2.gz FYZGAAPMSPANHG-CYBMUJFWSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571205133 953035755 /nfs/dbraw/zinc/03/57/55/953035755.db2.gz FYZGAAPMSPANHG-CYBMUJFWSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205150 953036235 /nfs/dbraw/zinc/03/62/35/953036235.db2.gz GMOHFIUKCRZMMQ-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205150 953036241 /nfs/dbraw/zinc/03/62/41/953036241.db2.gz GMOHFIUKCRZMMQ-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571205195 953036344 /nfs/dbraw/zinc/03/63/44/953036344.db2.gz HDBMOVFFXUJPDQ-YGRLFVJLSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571205195 953036348 /nfs/dbraw/zinc/03/63/48/953036348.db2.gz HDBMOVFFXUJPDQ-YGRLFVJLSA-N -1 1 382.432 0.754 20 0 GCADMM CCc1cc(C(=O)N2CC[C@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571205198 953036838 /nfs/dbraw/zinc/03/68/38/953036838.db2.gz HGAMGSFMADIODM-QGZVFWFLSA-N -1 1 382.432 0.907 20 0 GCADMM CCCc1n[nH]cc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571205196 953036861 /nfs/dbraw/zinc/03/68/61/953036861.db2.gz HFBQPQDWNJGJTJ-ZWNOBZJWSA-N -1 1 382.432 0.587 20 0 GCADMM CCCc1n[nH]cc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571205196 953036863 /nfs/dbraw/zinc/03/68/63/953036863.db2.gz HFBQPQDWNJGJTJ-ZWNOBZJWSA-N -1 1 382.432 0.587 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571205451 953038304 /nfs/dbraw/zinc/03/83/04/953038304.db2.gz JDMZMKOBLOUBCN-VXGBXAGGSA-N -1 1 382.432 0.400 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571205491 953038684 /nfs/dbraw/zinc/03/86/84/953038684.db2.gz KBIWFHAPOPVEBD-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571205491 953038691 /nfs/dbraw/zinc/03/86/91/953038691.db2.gz KBIWFHAPOPVEBD-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205588 953038739 /nfs/dbraw/zinc/03/87/39/953038739.db2.gz LIVANKFSCZCZRF-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205588 953038744 /nfs/dbraw/zinc/03/87/44/953038744.db2.gz LIVANKFSCZCZRF-NSHDSACASA-N -1 1 382.432 0.669 20 0 GCADMM CC1(C)CN(C(=O)CCn2ccnc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571205503 953039223 /nfs/dbraw/zinc/03/92/23/953039223.db2.gz KIGRFYAXXCNOER-LBPRGKRZSA-N -1 1 382.432 0.014 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571205489 953039312 /nfs/dbraw/zinc/03/93/12/953039312.db2.gz KBIWFHAPOPVEBD-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571205489 953039317 /nfs/dbraw/zinc/03/93/17/953039317.db2.gz KBIWFHAPOPVEBD-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)n1 ZINC001571205483 953039325 /nfs/dbraw/zinc/03/93/25/953039325.db2.gz JWDPWPKNCCLHMW-PWSUYJOCSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)n1 ZINC001571205483 953039326 /nfs/dbraw/zinc/03/93/26/953039326.db2.gz JWDPWPKNCCLHMW-PWSUYJOCSA-N -1 1 382.432 0.897 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cn1 ZINC001571205470 953039547 /nfs/dbraw/zinc/03/95/47/953039547.db2.gz JMJXBRIBSRUBRQ-YPMHNXCESA-N -1 1 382.432 0.978 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cn1 ZINC001571205470 953039550 /nfs/dbraw/zinc/03/95/50/953039550.db2.gz JMJXBRIBSRUBRQ-YPMHNXCESA-N -1 1 382.432 0.978 20 0 GCADMM CCc1cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571205671 953039936 /nfs/dbraw/zinc/03/99/36/953039936.db2.gz MTZHTVPGWKXFEN-NSHDSACASA-N -1 1 382.432 0.209 20 0 GCADMM CCc1cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n(C)n1 ZINC001571205671 953039939 /nfs/dbraw/zinc/03/99/39/953039939.db2.gz MTZHTVPGWKXFEN-NSHDSACASA-N -1 1 382.432 0.209 20 0 GCADMM C[C@H]1C[C@H](NC(=O)Cc2ccn(C)n2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571205611 953040636 /nfs/dbraw/zinc/04/06/36/953040636.db2.gz LPGBSYYLPKKIGW-NWDGAFQWSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1C[C@H](NC(=O)Cc2ccn(C)n2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571205611 953040640 /nfs/dbraw/zinc/04/06/40/953040640.db2.gz LPGBSYYLPKKIGW-NWDGAFQWSA-N -1 1 382.432 0.106 20 0 GCADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3c[nH]nc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571205706 953041020 /nfs/dbraw/zinc/04/10/20/953041020.db2.gz NETKRFRIANHNNI-LLVKDONJSA-N -1 1 382.432 0.967 20 0 GCADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3c[nH]nc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571205706 953041025 /nfs/dbraw/zinc/04/10/25/953041025.db2.gz NETKRFRIANHNNI-LLVKDONJSA-N -1 1 382.432 0.967 20 0 GCADMM CCCn1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205689 953041365 /nfs/dbraw/zinc/04/13/65/953041365.db2.gz MYSAGHMRGCBFBU-DGCLKSJQSA-N -1 1 382.432 0.836 20 0 GCADMM CCCn1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205689 953041368 /nfs/dbraw/zinc/04/13/68/953041368.db2.gz MYSAGHMRGCBFBU-DGCLKSJQSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ccc(CC(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571205870 953043413 /nfs/dbraw/zinc/04/34/13/953043413.db2.gz COTQEGYZLUPUNW-UHFFFAOYSA-N -1 1 382.432 0.519 20 0 GCADMM CCn1ccc(CC(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571205870 953043422 /nfs/dbraw/zinc/04/34/22/953043422.db2.gz COTQEGYZLUPUNW-UHFFFAOYSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2ccnc2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205987 953044480 /nfs/dbraw/zinc/04/44/80/953044480.db2.gz QEPCWDOWESCWRP-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM CCc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571205916 953044811 /nfs/dbraw/zinc/04/48/11/953044811.db2.gz OIRPCZPKTHUIEY-IINYFYTJSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571205916 953044816 /nfs/dbraw/zinc/04/48/16/953044816.db2.gz OIRPCZPKTHUIEY-IINYFYTJSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571205981 953045130 /nfs/dbraw/zinc/04/51/30/953045130.db2.gz PUYCHJKFPGQSBJ-LLVKDONJSA-N -1 1 382.432 0.683 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571205981 953045133 /nfs/dbraw/zinc/04/51/33/953045133.db2.gz PUYCHJKFPGQSBJ-LLVKDONJSA-N -1 1 382.432 0.683 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)c3ccn(C)n3)C2)cc(-c2nnn[n-]2)n1 ZINC001571206037 953045591 /nfs/dbraw/zinc/04/55/91/953045591.db2.gz RERUUBSBHFPLIS-LLVKDONJSA-N -1 1 382.432 0.527 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)c3ccn(C)n3)C2)cc(-c2nn[n-]n2)n1 ZINC001571206037 953045593 /nfs/dbraw/zinc/04/55/93/953045593.db2.gz RERUUBSBHFPLIS-LLVKDONJSA-N -1 1 382.432 0.527 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206064 953045900 /nfs/dbraw/zinc/04/59/00/953045900.db2.gz CXAIJLYBBXBHBC-LBPRGKRZSA-N -1 1 382.432 0.580 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)nn1C ZINC001571206070 953046046 /nfs/dbraw/zinc/04/60/46/953046046.db2.gz RKZFVAXSSCFVBS-GFCCVEGCSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)nn1C ZINC001571206070 953046048 /nfs/dbraw/zinc/04/60/48/953046048.db2.gz RKZFVAXSSCFVBS-GFCCVEGCSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1cc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571206076 953047256 /nfs/dbraw/zinc/04/72/56/953047256.db2.gz RNTYYSPQKPQANL-UHFFFAOYSA-N -1 1 382.432 0.573 20 0 GCADMM CCc1cc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)n(C)n1 ZINC001571206076 953047259 /nfs/dbraw/zinc/04/72/59/953047259.db2.gz RNTYYSPQKPQANL-UHFFFAOYSA-N -1 1 382.432 0.573 20 0 GCADMM CCn1cc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571206125 953047267 /nfs/dbraw/zinc/04/72/67/953047267.db2.gz DLSMYFFUDSNNBY-GFCCVEGCSA-N -1 1 382.432 0.438 20 0 GCADMM CCn1cc(C(=O)NC[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571206125 953047270 /nfs/dbraw/zinc/04/72/70/953047270.db2.gz DLSMYFFUDSNNBY-GFCCVEGCSA-N -1 1 382.432 0.438 20 0 GCADMM CC(C)n1nccc1C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206228 953047989 /nfs/dbraw/zinc/04/79/89/953047989.db2.gz SKKZHSDJHDRRHB-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM CC[C@H]1CN(C(=O)c2c[nH]c(C)n2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571206174 953048006 /nfs/dbraw/zinc/04/80/06/953048006.db2.gz RZWIXEFHTZQION-NWDGAFQWSA-N -1 1 382.432 0.463 20 0 GCADMM CCn1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)n1 ZINC001571206265 953049262 /nfs/dbraw/zinc/04/92/62/953049262.db2.gz FGARFVBUBYDTQQ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM CCn1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)n1 ZINC001571206265 953049266 /nfs/dbraw/zinc/04/92/66/953049266.db2.gz FGARFVBUBYDTQQ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206251 953049321 /nfs/dbraw/zinc/04/93/21/953049321.db2.gz SQCSFRJFMLDHBY-CMPLNLGQSA-N -1 1 382.432 0.730 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001571206351 953049970 /nfs/dbraw/zinc/04/99/70/953049970.db2.gz OPWPZBOOBSCSCF-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001571206351 953049975 /nfs/dbraw/zinc/04/99/75/953049975.db2.gz OPWPZBOOBSCSCF-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571206408 953051291 /nfs/dbraw/zinc/05/12/91/953051291.db2.gz GOWJROKJYUAKGA-QGZVFWFLSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571206408 953051294 /nfs/dbraw/zinc/05/12/94/953051294.db2.gz GOWJROKJYUAKGA-QGZVFWFLSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)cn1 ZINC001571206436 953051355 /nfs/dbraw/zinc/05/13/55/953051355.db2.gz GXGYZJJTOPYFBQ-LBPRGKRZSA-N -1 1 382.432 0.518 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](NC(=O)c3n[nH]c(C)c3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571206394 953051388 /nfs/dbraw/zinc/05/13/88/953051388.db2.gz ULFDXVVHLHYTTQ-XYPYZODXSA-N -1 1 382.432 0.932 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001571206476 953052250 /nfs/dbraw/zinc/05/22/50/953052250.db2.gz PYGGSKMDFQVRPM-STQMWFEESA-N -1 1 382.432 0.187 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnc(C)n2C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571206496 953052277 /nfs/dbraw/zinc/05/22/77/953052277.db2.gz VARZXQIHJHJZNW-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnc(C)n2C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571206496 953052280 /nfs/dbraw/zinc/05/22/80/953052280.db2.gz VARZXQIHJHJZNW-WCQYABFASA-N -1 1 382.432 0.486 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571206553 953052782 /nfs/dbraw/zinc/05/27/82/953052782.db2.gz VHBBPBKCXNNJKD-UHFFFAOYSA-N -1 1 382.432 0.471 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@@H](C)[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571206581 953052835 /nfs/dbraw/zinc/05/28/35/953052835.db2.gz IIBIYLGDWYBGJG-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@@H](C)[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571206581 953052839 /nfs/dbraw/zinc/05/28/39/953052839.db2.gz IIBIYLGDWYBGJG-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM CCCn1nccc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571206556 953053195 /nfs/dbraw/zinc/05/31/95/953053195.db2.gz VHHDPDSXMMRZCB-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCCn1nccc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571206556 953053196 /nfs/dbraw/zinc/05/31/96/953053196.db2.gz VHHDPDSXMMRZCB-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206844 953055822 /nfs/dbraw/zinc/05/58/22/953055822.db2.gz LIOVNPZCNXMQJW-JQWIXIFHSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206844 953055826 /nfs/dbraw/zinc/05/58/26/953055826.db2.gz LIOVNPZCNXMQJW-JQWIXIFHSA-N -1 1 382.432 0.899 20 0 GCADMM CC1(C)CN(C(=O)CCc2cn[nH]c2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571206857 953055894 /nfs/dbraw/zinc/05/58/94/953055894.db2.gz YGADIXGNXBXXQN-ZDUSSCGKSA-N -1 1 382.432 0.662 20 0 GCADMM CC1(C)CN(C(=O)CCc2cn[nH]c2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571206857 953055899 /nfs/dbraw/zinc/05/58/99/953055899.db2.gz YGADIXGNXBXXQN-ZDUSSCGKSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1cc(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571206847 953056665 /nfs/dbraw/zinc/05/66/65/953056665.db2.gz XZBQTOSAXRYFRR-NWDGAFQWSA-N -1 1 382.432 0.115 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206895 953057624 /nfs/dbraw/zinc/05/76/24/953057624.db2.gz YVMDIZSNYATCPD-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206895 953057628 /nfs/dbraw/zinc/05/76/28/953057628.db2.gz YVMDIZSNYATCPD-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM Cc1nc(C(=O)N2CC[C@H](CN(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571207083 953058993 /nfs/dbraw/zinc/05/89/93/953058993.db2.gz MTSWINUYOATTJG-GFCCVEGCSA-N -1 1 382.432 0.595 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571207079 953059208 /nfs/dbraw/zinc/05/92/08/953059208.db2.gz MRYMUZMKFUZYMX-GFCCVEGCSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571207079 953059211 /nfs/dbraw/zinc/05/92/11/953059211.db2.gz MRYMUZMKFUZYMX-GFCCVEGCSA-N -1 1 382.432 0.837 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)CCc3cn[nH]c3)CC2)n1 ZINC001571207121 953059746 /nfs/dbraw/zinc/05/97/46/953059746.db2.gz NIWVMAMBMYGOHQ-UHFFFAOYSA-N -1 1 382.432 0.360 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)CCc3cn[nH]c3)CC2)n1 ZINC001571207121 953059750 /nfs/dbraw/zinc/05/97/50/953059750.db2.gz NIWVMAMBMYGOHQ-UHFFFAOYSA-N -1 1 382.432 0.360 20 0 GCADMM Cc1[nH]nc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207116 953059973 /nfs/dbraw/zinc/05/99/73/953059973.db2.gz NIUPNZSXIRAMRX-NWDGAFQWSA-N -1 1 382.432 0.429 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207255 953060650 /nfs/dbraw/zinc/06/06/50/953060650.db2.gz PBWRODCGDAMLEM-LBPRGKRZSA-N -1 1 382.432 0.465 20 0 GCADMM Cc1c[nH]nc1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571207257 953061397 /nfs/dbraw/zinc/06/13/97/953061397.db2.gz PBWWYKVVTKSVMT-LBPRGKRZSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571207410 953062655 /nfs/dbraw/zinc/06/26/55/953062655.db2.gz QZQGLJSIMFDOQI-GFCCVEGCSA-N -1 1 382.432 0.677 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571207410 953062658 /nfs/dbraw/zinc/06/26/58/953062658.db2.gz QZQGLJSIMFDOQI-GFCCVEGCSA-N -1 1 382.432 0.677 20 0 GCADMM CCn1nccc1C(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207421 953062724 /nfs/dbraw/zinc/06/27/24/953062724.db2.gz RGBZEFYXLQLWHD-VXGBXAGGSA-N -1 1 382.432 0.448 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)Cc1ccn(C)n1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571207503 953063288 /nfs/dbraw/zinc/06/32/88/953063288.db2.gz VATLEONMETXAIE-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)Cc1ccn(C)n1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571207503 953063290 /nfs/dbraw/zinc/06/32/90/953063290.db2.gz VATLEONMETXAIE-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571207568 953064175 /nfs/dbraw/zinc/06/41/75/953064175.db2.gz WZTRSAQIXOTSFG-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1C ZINC001571207548 953064329 /nfs/dbraw/zinc/06/43/29/953064329.db2.gz WBLHGAKAXFXIKN-GFCCVEGCSA-N -1 1 382.432 0.499 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207548 953064332 /nfs/dbraw/zinc/06/43/32/953064332.db2.gz WBLHGAKAXFXIKN-GFCCVEGCSA-N -1 1 382.432 0.499 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)n1 ZINC001571207583 953064666 /nfs/dbraw/zinc/06/46/66/953064666.db2.gz XJDXHQYWUDVKPM-ZDUSSCGKSA-N -1 1 382.432 0.262 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)Cc3cc[nH]n3)C(C)(C)C2)n1 ZINC001571207583 953064670 /nfs/dbraw/zinc/06/46/70/953064670.db2.gz XJDXHQYWUDVKPM-ZDUSSCGKSA-N -1 1 382.432 0.262 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571207592 953064704 /nfs/dbraw/zinc/06/47/04/953064704.db2.gz XODARDZQYNWLRS-NEPJUHHUSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571207592 953064705 /nfs/dbraw/zinc/06/47/05/953064705.db2.gz XODARDZQYNWLRS-NEPJUHHUSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571207525 953064715 /nfs/dbraw/zinc/06/47/15/953064715.db2.gz VQCRYYIKLQMKQX-NWDGAFQWSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571207525 953064719 /nfs/dbraw/zinc/06/47/19/953064719.db2.gz VQCRYYIKLQMKQX-NWDGAFQWSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571207593 953065014 /nfs/dbraw/zinc/06/50/14/953065014.db2.gz XODARDZQYNWLRS-NWDGAFQWSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571207593 953065017 /nfs/dbraw/zinc/06/50/17/953065017.db2.gz XODARDZQYNWLRS-NWDGAFQWSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571207594 953065056 /nfs/dbraw/zinc/06/50/56/953065056.db2.gz XODARDZQYNWLRS-RYUDHWBXSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571207594 953065058 /nfs/dbraw/zinc/06/50/58/953065058.db2.gz XODARDZQYNWLRS-RYUDHWBXSA-N -1 1 382.432 0.836 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 ZINC001571207600 953065358 /nfs/dbraw/zinc/06/53/58/953065358.db2.gz XPGCFKSLDORGRH-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 ZINC001571207600 953065361 /nfs/dbraw/zinc/06/53/61/953065361.db2.gz XPGCFKSLDORGRH-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccnn3C)C[C@@H]2C)n1 ZINC001571207634 953065502 /nfs/dbraw/zinc/06/55/02/953065502.db2.gz YKFTZOHRIZFRID-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccnn3C)C[C@@H]2C)n1 ZINC001571207634 953065503 /nfs/dbraw/zinc/06/55/03/953065503.db2.gz YKFTZOHRIZFRID-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571207632 953065566 /nfs/dbraw/zinc/06/55/66/953065566.db2.gz YJKFOZUBUGQCOF-ZYHUDNBSSA-N -1 1 382.432 0.722 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571209786 953067536 /nfs/dbraw/zinc/06/75/36/953067536.db2.gz DWQIVFAEGVXFFN-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571209786 953067540 /nfs/dbraw/zinc/06/75/40/953067540.db2.gz DWQIVFAEGVXFFN-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)n1 ZINC001571209861 953069078 /nfs/dbraw/zinc/06/90/78/953069078.db2.gz HAUGYVVGGCPKNX-CQSZACIVSA-N -1 1 382.450 0.229 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)n1 ZINC001571209861 953069081 /nfs/dbraw/zinc/06/90/81/953069081.db2.gz HAUGYVVGGCPKNX-CQSZACIVSA-N -1 1 382.450 0.229 20 0 GCADMM O=C(Cn1cccn1)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571210009 953069456 /nfs/dbraw/zinc/06/94/56/953069456.db2.gz LREIEISRTMHYGF-CYBMUJFWSA-N -1 1 382.432 0.016 20 0 GCADMM O=C(Cn1ccnc1)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571210217 953071140 /nfs/dbraw/zinc/07/11/40/953071140.db2.gz ONGRSDDGPXWAJX-OLZOCXBDSA-N -1 1 382.432 0.640 20 0 GCADMM Cn1nccc1CCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571210749 953074019 /nfs/dbraw/zinc/07/40/19/953074019.db2.gz WHABLRNBRCMQNK-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1nccc1CCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571210749 953074024 /nfs/dbraw/zinc/07/40/24/953074024.db2.gz WHABLRNBRCMQNK-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1nc(C(=O)N2CCCC[C@H]2CCNc2ccnc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571211432 953076480 /nfs/dbraw/zinc/07/64/80/953076480.db2.gz AMUCOEOZJKHIPC-LBPRGKRZSA-N -1 1 382.432 0.607 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3nccnc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571211420 953076706 /nfs/dbraw/zinc/07/67/06/953076706.db2.gz AKMKDWWLBHXFOO-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3nccnc3-c3nn[n-]n3)C2)n(C)n1 ZINC001571211420 953076710 /nfs/dbraw/zinc/07/67/10/953076710.db2.gz AKMKDWWLBHXFOO-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571211616 953078370 /nfs/dbraw/zinc/07/83/70/953078370.db2.gz CRBKHGUNKZMTHL-ZDUSSCGKSA-N -1 1 382.432 0.147 20 0 GCADMM Cc1cnn(CC(=O)N2CC[C@@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571211616 953078372 /nfs/dbraw/zinc/07/83/72/953078372.db2.gz CRBKHGUNKZMTHL-ZDUSSCGKSA-N -1 1 382.432 0.147 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211677 953079497 /nfs/dbraw/zinc/07/94/97/953079497.db2.gz FIJSZIRLOOFHLB-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211677 953079501 /nfs/dbraw/zinc/07/95/01/953079501.db2.gz FIJSZIRLOOFHLB-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211676 953079639 /nfs/dbraw/zinc/07/96/39/953079639.db2.gz FIJSZIRLOOFHLB-RYUDHWBXSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211676 953079641 /nfs/dbraw/zinc/07/96/41/953079641.db2.gz FIJSZIRLOOFHLB-RYUDHWBXSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211655 953079786 /nfs/dbraw/zinc/07/97/86/953079786.db2.gz DYGCYKKOIXUFBH-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211655 953079788 /nfs/dbraw/zinc/07/97/88/953079788.db2.gz DYGCYKKOIXUFBH-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571211840 953081246 /nfs/dbraw/zinc/08/12/46/953081246.db2.gz HCFPNJASCGQTFE-AAEUAGOBSA-N -1 1 382.432 0.641 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571211840 953081250 /nfs/dbraw/zinc/08/12/50/953081250.db2.gz HCFPNJASCGQTFE-AAEUAGOBSA-N -1 1 382.432 0.641 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571211897 953083104 /nfs/dbraw/zinc/08/31/04/953083104.db2.gz IICRXOUIBICIPD-ZYHUDNBSSA-N -1 1 382.432 0.320 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212196 953084857 /nfs/dbraw/zinc/08/48/57/953084857.db2.gz KXTPFZFFGKNFLS-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212196 953084860 /nfs/dbraw/zinc/08/48/60/953084860.db2.gz KXTPFZFFGKNFLS-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@@H]2CN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001571212330 953087040 /nfs/dbraw/zinc/08/70/40/953087040.db2.gz LSYOBSNKRQQUPG-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@@H]2CN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001571212330 953087042 /nfs/dbraw/zinc/08/70/42/953087042.db2.gz LSYOBSNKRQQUPG-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212307 953087139 /nfs/dbraw/zinc/08/71/39/953087139.db2.gz LIXKEEPJXFZWJR-GFCCVEGCSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212307 953087143 /nfs/dbraw/zinc/08/71/43/953087143.db2.gz LIXKEEPJXFZWJR-GFCCVEGCSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1cn(C)nc1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571212332 953087453 /nfs/dbraw/zinc/08/74/53/953087453.db2.gz LTFFVMCIYOUIQL-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571212338 953087477 /nfs/dbraw/zinc/08/74/77/953087477.db2.gz MALJKMAHGDLNGF-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571212338 953087481 /nfs/dbraw/zinc/08/74/81/953087481.db2.gz MALJKMAHGDLNGF-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ccnn1CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571212376 953088357 /nfs/dbraw/zinc/08/83/57/953088357.db2.gz MXMUBRPTLTWFFJ-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1ccnn1CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571212376 953088361 /nfs/dbraw/zinc/08/83/61/953088361.db2.gz MXMUBRPTLTWFFJ-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212686 953088934 /nfs/dbraw/zinc/08/89/34/953088934.db2.gz OEHDWAQOJCOJRS-LBPRGKRZSA-N -1 1 382.432 0.064 20 0 GCADMM Cn1cc(CC(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571212704 953089264 /nfs/dbraw/zinc/08/92/64/953089264.db2.gz OIYXBEIFGPBDGF-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1cc(CC(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571212704 953089268 /nfs/dbraw/zinc/08/92/68/953089268.db2.gz OIYXBEIFGPBDGF-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571212794 953090461 /nfs/dbraw/zinc/09/04/61/953090461.db2.gz PCSIPCPOOOSUTJ-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571212794 953090465 /nfs/dbraw/zinc/09/04/65/953090465.db2.gz PCSIPCPOOOSUTJ-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212734 953090813 /nfs/dbraw/zinc/09/08/13/953090813.db2.gz OQFZJXFXRNLTAV-JQWIXIFHSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1ncn(C)c1C(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212734 953090817 /nfs/dbraw/zinc/09/08/17/953090817.db2.gz OQFZJXFXRNLTAV-JQWIXIFHSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)n(C)n1 ZINC001571212725 953090835 /nfs/dbraw/zinc/09/08/35/953090835.db2.gz OPAWELZAYPGXMU-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)n(C)n1 ZINC001571212725 953090838 /nfs/dbraw/zinc/09/08/38/953090838.db2.gz OPAWELZAYPGXMU-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cn1ccc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571213047 953092118 /nfs/dbraw/zinc/09/21/18/953092118.db2.gz QDZRFQXPQABSCD-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1ccc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571213047 953092121 /nfs/dbraw/zinc/09/21/21/953092121.db2.gz QDZRFQXPQABSCD-GFCCVEGCSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571213066 953092342 /nfs/dbraw/zinc/09/23/42/953092342.db2.gz QKEYKXNNDXZLKU-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571213066 953092345 /nfs/dbraw/zinc/09/23/45/953092345.db2.gz QKEYKXNNDXZLKU-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571213068 953092413 /nfs/dbraw/zinc/09/24/13/953092413.db2.gz QKEYKXNNDXZLKU-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571213068 953092417 /nfs/dbraw/zinc/09/24/17/953092417.db2.gz QKEYKXNNDXZLKU-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ccnn1CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571213140 953093029 /nfs/dbraw/zinc/09/30/29/953093029.db2.gz RGXDAWWSIQAZJJ-CYBMUJFWSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1ccnn1CC(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571213140 953093031 /nfs/dbraw/zinc/09/30/31/953093031.db2.gz RGXDAWWSIQAZJJ-CYBMUJFWSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571213446 953095497 /nfs/dbraw/zinc/09/54/97/953095497.db2.gz TXOXCQJQTQJMET-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571213446 953095503 /nfs/dbraw/zinc/09/55/03/953095503.db2.gz TXOXCQJQTQJMET-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cnn(CC(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571213782 953097228 /nfs/dbraw/zinc/09/72/28/953097228.db2.gz VSCMEZZSYQZOEN-OLZOCXBDSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1cnn(CC(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571213782 953097232 /nfs/dbraw/zinc/09/72/32/953097232.db2.gz VSCMEZZSYQZOEN-OLZOCXBDSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571213768 953097825 /nfs/dbraw/zinc/09/78/25/953097825.db2.gz VMCBJKBGLWFBQA-NWDGAFQWSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571213768 953097828 /nfs/dbraw/zinc/09/78/28/953097828.db2.gz VMCBJKBGLWFBQA-NWDGAFQWSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571213885 953098756 /nfs/dbraw/zinc/09/87/56/953098756.db2.gz YCKLHKWBJHHKQN-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cnn(CC(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571213885 953098759 /nfs/dbraw/zinc/09/87/59/953098759.db2.gz YCKLHKWBJHHKQN-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571214173 953100329 /nfs/dbraw/zinc/10/03/29/953100329.db2.gz YVYCBHVRQXPEPW-GXTWGEPZSA-N -1 1 382.432 0.511 20 0 GCADMM Cc1cnn(CCC(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571214173 953100331 /nfs/dbraw/zinc/10/03/31/953100331.db2.gz YVYCBHVRQXPEPW-GXTWGEPZSA-N -1 1 382.432 0.511 20 0 GCADMM NC(=O)c1ccc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571217608 953108913 /nfs/dbraw/zinc/10/89/13/953108913.db2.gz OQYMFHYKHNDXDQ-UHFFFAOYSA-N -1 1 383.372 0.065 20 0 GCADMM NC(=O)c1ccc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571217608 953108915 /nfs/dbraw/zinc/10/89/15/953108915.db2.gz OQYMFHYKHNDXDQ-UHFFFAOYSA-N -1 1 383.372 0.065 20 0 GCADMM Cc1[nH]nc(NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)c1-c1nn[n-]n1 ZINC001571217684 953110269 /nfs/dbraw/zinc/11/02/69/953110269.db2.gz HYVYVSIYPIYIIT-UHFFFAOYSA-N -1 1 382.793 0.602 20 0 GCADMM O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571218092 953113055 /nfs/dbraw/zinc/11/30/55/953113055.db2.gz LSEYYDFSCRMCTC-RQJHMYQMSA-N -1 1 382.837 0.268 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2ncccc2F)CC1 ZINC001571218508 953116248 /nfs/dbraw/zinc/11/62/48/953116248.db2.gz ACANRYPOSVVJQC-UHFFFAOYSA-N -1 1 383.391 0.932 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2ncccc2F)CC1 ZINC001571218508 953116250 /nfs/dbraw/zinc/11/62/50/953116250.db2.gz ACANRYPOSVVJQC-UHFFFAOYSA-N -1 1 383.391 0.932 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cncc(F)c1 ZINC001571218804 953119984 /nfs/dbraw/zinc/11/99/84/953119984.db2.gz DWVMODGKKWWHFJ-CYBMUJFWSA-N -1 1 383.391 0.980 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cncc(F)c1 ZINC001571218804 953119987 /nfs/dbraw/zinc/11/99/87/953119987.db2.gz DWVMODGKKWWHFJ-CYBMUJFWSA-N -1 1 383.391 0.980 20 0 GCADMM CCOC(=O)Cn1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1=O ZINC001571218931 953120569 /nfs/dbraw/zinc/12/05/69/953120569.db2.gz SMXHLLWARPRYBM-UHFFFAOYSA-N -1 1 383.368 0.168 20 0 GCADMM CCOC(=O)Cn1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1=O ZINC001571218931 953120571 /nfs/dbraw/zinc/12/05/71/953120571.db2.gz SMXHLLWARPRYBM-UHFFFAOYSA-N -1 1 383.368 0.168 20 0 GCADMM COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571219157 953123327 /nfs/dbraw/zinc/12/33/27/953123327.db2.gz KPTDOHMOEVOGMY-NXEZZACHSA-N -1 1 383.405 0.826 20 0 GCADMM CC(C)(Cc1ccccc1)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571219386 953125700 /nfs/dbraw/zinc/12/57/00/953125700.db2.gz OBTMOCRFKMMXBK-UHFFFAOYSA-N -1 1 383.412 0.514 20 0 GCADMM CNC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001571219780 953127347 /nfs/dbraw/zinc/12/73/47/953127347.db2.gz SMKZLMXQWIZYNQ-UHFFFAOYSA-N -1 1 383.409 0.088 20 0 GCADMM O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1F ZINC001571219959 953128395 /nfs/dbraw/zinc/12/83/95/953128395.db2.gz VDIUONPRJHFHPT-WDEREUQCSA-N -1 1 383.391 0.623 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1F)c1nccnc1-c1nnn[n-]1 ZINC001571220116 953128590 /nfs/dbraw/zinc/12/85/90/953128590.db2.gz XLRUEVLANWJKIN-LLVKDONJSA-N -1 1 383.391 0.932 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1F)c1nccnc1-c1nn[n-]n1 ZINC001571220116 953128592 /nfs/dbraw/zinc/12/85/92/953128592.db2.gz XLRUEVLANWJKIN-LLVKDONJSA-N -1 1 383.391 0.932 20 0 GCADMM CCc1cc(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)no1 ZINC001571222029 953130656 /nfs/dbraw/zinc/13/06/56/953130656.db2.gz AFEIHGGEVGTQKR-UHFFFAOYSA-N -1 1 383.416 0.782 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571222075 953130701 /nfs/dbraw/zinc/13/07/01/953130701.db2.gz BFMKWCMIWICVEK-NSHDSACASA-N -1 1 383.416 0.806 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571222075 953130704 /nfs/dbraw/zinc/13/07/04/953130704.db2.gz BFMKWCMIWICVEK-NSHDSACASA-N -1 1 383.416 0.806 20 0 GCADMM CCCc1nc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001571222205 953132082 /nfs/dbraw/zinc/13/20/82/953132082.db2.gz FKZYNYXNPOOVSE-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCCc1nc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001571222205 953132086 /nfs/dbraw/zinc/13/20/86/953132086.db2.gz FKZYNYXNPOOVSE-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CN(CC1CCN(C(=O)Cc2ccon2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571222323 953133184 /nfs/dbraw/zinc/13/31/84/953133184.db2.gz DRIDSMDBSFCNTR-UHFFFAOYSA-N -1 1 383.416 0.562 20 0 GCADMM CCc1ncoc1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571222755 953138780 /nfs/dbraw/zinc/13/87/80/953138780.db2.gz LCRXAYOOJMUUIS-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ncoc1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571222755 953138784 /nfs/dbraw/zinc/13/87/84/953138784.db2.gz LCRXAYOOJMUUIS-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ocnc1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571222985 953140340 /nfs/dbraw/zinc/14/03/40/953140340.db2.gz OMHZIMCOZOGDEI-UHFFFAOYSA-N -1 1 383.416 0.854 20 0 GCADMM Cc1nsc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)c1-c1nn[nH]n1 ZINC001571223165 953141233 /nfs/dbraw/zinc/14/12/33/953141233.db2.gz OWBBKPDDIVKUBY-UHFFFAOYSA-N -1 1 383.415 0.727 20 0 GCADMM CCc1ocnc1C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571223306 953143268 /nfs/dbraw/zinc/14/32/68/953143268.db2.gz STVGLDTWDRYYPS-LLVKDONJSA-N -1 1 383.416 0.593 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571223420 953143868 /nfs/dbraw/zinc/14/38/68/953143868.db2.gz QZDWQJZUPRRROL-YPMHNXCESA-N -1 1 383.416 0.348 20 0 GCADMM Cc1cccc([C@@H](C)CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001571223404 953143935 /nfs/dbraw/zinc/14/39/35/953143935.db2.gz QTOYNPTWDRZWFF-LBPRGKRZSA-N -1 1 383.412 0.747 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571223402 953144369 /nfs/dbraw/zinc/14/43/69/953144369.db2.gz QRYUBVZQBLMOID-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571223402 953144372 /nfs/dbraw/zinc/14/43/72/953144372.db2.gz QRYUBVZQBLMOID-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2ccon2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571223785 953146773 /nfs/dbraw/zinc/14/67/73/953146773.db2.gz VLJPFEINBPOQEE-WCQYABFASA-N -1 1 383.416 0.926 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2ccon2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571223785 953146774 /nfs/dbraw/zinc/14/67/74/953146774.db2.gz VLJPFEINBPOQEE-WCQYABFASA-N -1 1 383.416 0.926 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCN2C(=O)c2ccon2)n1 ZINC001571224102 953148818 /nfs/dbraw/zinc/14/88/18/953148818.db2.gz YEBNPAQPWYIZKD-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCN2C(=O)c2ccon2)n1 ZINC001571224102 953148820 /nfs/dbraw/zinc/14/88/20/953148820.db2.gz YEBNPAQPWYIZKD-NSHDSACASA-N -1 1 383.416 0.948 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3ccn(C)c3)CCO2)n1 ZINC001571224578 953149152 /nfs/dbraw/zinc/14/91/52/953149152.db2.gz ABCSKVBRJNHWOZ-ZDUSSCGKSA-N -1 1 383.416 0.257 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3ccn(C)c3)CCO2)n1 ZINC001571224578 953149155 /nfs/dbraw/zinc/14/91/55/953149155.db2.gz ABCSKVBRJNHWOZ-ZDUSSCGKSA-N -1 1 383.416 0.257 20 0 GCADMM Cc1conc1C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571224697 953150599 /nfs/dbraw/zinc/15/05/99/953150599.db2.gz DELVYFUFHWXZCK-LBPRGKRZSA-N -1 1 383.416 0.872 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)no1 ZINC001571224884 953151331 /nfs/dbraw/zinc/15/13/31/953151331.db2.gz FWAZYTGRBAAJTB-LBPRGKRZSA-N -1 1 383.416 0.671 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)no1 ZINC001571224884 953151333 /nfs/dbraw/zinc/15/13/33/953151333.db2.gz FWAZYTGRBAAJTB-LBPRGKRZSA-N -1 1 383.416 0.671 20 0 GCADMM Cc1cnoc1C(=O)N[C@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571224962 953152276 /nfs/dbraw/zinc/15/22/76/953152276.db2.gz HMONEJNCPWGRPO-LLVKDONJSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cnoc1C(=O)N[C@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571224962 953152278 /nfs/dbraw/zinc/15/22/78/953152278.db2.gz HMONEJNCPWGRPO-LLVKDONJSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1nc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)co1 ZINC001571224945 953152325 /nfs/dbraw/zinc/15/23/25/953152325.db2.gz HBFAJUSZEJDQDB-ZYHUDNBSSA-N -1 1 383.416 0.585 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571225330 953152695 /nfs/dbraw/zinc/15/26/95/953152695.db2.gz JSCMZAAOCUYJTB-GFCCVEGCSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571225330 953152702 /nfs/dbraw/zinc/15/27/02/953152702.db2.gz JSCMZAAOCUYJTB-GFCCVEGCSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)Cc3cnoc3)CC[C@H]2C)n1 ZINC001571225660 953153784 /nfs/dbraw/zinc/15/37/84/953153784.db2.gz MPKLMXVHVXALMM-DGCLKSJQSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)Cc3cnoc3)CC[C@H]2C)n1 ZINC001571225660 953153786 /nfs/dbraw/zinc/15/37/86/953153786.db2.gz MPKLMXVHVXALMM-DGCLKSJQSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)no1 ZINC001571225898 953154683 /nfs/dbraw/zinc/15/46/83/953154683.db2.gz OBIXPXXPEWTNFL-WCQYABFASA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)no1 ZINC001571225898 953154687 /nfs/dbraw/zinc/15/46/87/953154687.db2.gz OBIXPXXPEWTNFL-WCQYABFASA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)no1 ZINC001571225897 953154784 /nfs/dbraw/zinc/15/47/84/953154784.db2.gz OBIXPXXPEWTNFL-DGCLKSJQSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)no1 ZINC001571225897 953154788 /nfs/dbraw/zinc/15/47/88/953154788.db2.gz OBIXPXXPEWTNFL-DGCLKSJQSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1nc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)co1 ZINC001571225963 953155055 /nfs/dbraw/zinc/15/50/55/953155055.db2.gz PCJZQPCQWCMKMO-LBPRGKRZSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)no1 ZINC001571226687 953157125 /nfs/dbraw/zinc/15/71/25/953157125.db2.gz WAJKIMFARSWFAL-PWSUYJOCSA-N -1 1 383.416 0.409 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571226938 953157630 /nfs/dbraw/zinc/15/76/30/953157630.db2.gz XIMYFUZRRKBUGZ-LBPRGKRZSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571226938 953157631 /nfs/dbraw/zinc/15/76/31/953157631.db2.gz XIMYFUZRRKBUGZ-LBPRGKRZSA-N -1 1 383.416 0.942 20 0 GCADMM CCn1nc(C)c(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571227747 953159167 /nfs/dbraw/zinc/15/91/67/953159167.db2.gz BCOGORFFGNACBO-PHIMTYICSA-N -1 1 383.420 0.197 20 0 GCADMM CCn1nc(C)c(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571227747 953159168 /nfs/dbraw/zinc/15/91/68/953159168.db2.gz BCOGORFFGNACBO-PHIMTYICSA-N -1 1 383.420 0.197 20 0 GCADMM CC[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227714 953159288 /nfs/dbraw/zinc/15/92/88/953159288.db2.gz AKWGWLAVCCBFNK-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227714 953159290 /nfs/dbraw/zinc/15/92/90/953159290.db2.gz AKWGWLAVCCBFNK-WDEREUQCSA-N -1 1 383.420 0.138 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)n1 ZINC001571227793 953159623 /nfs/dbraw/zinc/15/96/23/953159623.db2.gz CDKQXAURTNVFFC-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571227793 953159625 /nfs/dbraw/zinc/15/96/25/953159625.db2.gz CDKQXAURTNVFFC-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571227955 953160825 /nfs/dbraw/zinc/16/08/25/953160825.db2.gz FFUJRVBYRVYVKK-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM CCn1ncc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571227955 953160827 /nfs/dbraw/zinc/16/08/27/953160827.db2.gz FFUJRVBYRVYVKK-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)Cc1nnc[nH]1 ZINC001571228103 953161356 /nfs/dbraw/zinc/16/13/56/953161356.db2.gz INETUABDGLYNFZ-CMPLNLGQSA-N -1 1 383.420 0.199 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228096 953161658 /nfs/dbraw/zinc/16/16/58/953161658.db2.gz IEHSAJKKPHJZIM-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228096 953161663 /nfs/dbraw/zinc/16/16/63/953161663.db2.gz IEHSAJKKPHJZIM-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571228031 953161876 /nfs/dbraw/zinc/16/18/76/953161876.db2.gz GQKQYUHAUATSTH-QWRGUYRKSA-N -1 1 383.420 0.088 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571228031 953161878 /nfs/dbraw/zinc/16/18/78/953161878.db2.gz GQKQYUHAUATSTH-QWRGUYRKSA-N -1 1 383.420 0.088 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)nn1 ZINC001571228170 953162156 /nfs/dbraw/zinc/16/21/56/953162156.db2.gz JXQLLXGFMDONCJ-QWRGUYRKSA-N -1 1 383.420 0.231 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)nn1 ZINC001571228170 953162160 /nfs/dbraw/zinc/16/21/60/953162160.db2.gz JXQLLXGFMDONCJ-QWRGUYRKSA-N -1 1 383.420 0.231 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571228217 953163275 /nfs/dbraw/zinc/16/32/75/953163275.db2.gz KZRQDTIYEIYGKJ-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571228217 953163276 /nfs/dbraw/zinc/16/32/76/953163276.db2.gz KZRQDTIYEIYGKJ-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571228497 953164464 /nfs/dbraw/zinc/16/44/64/953164464.db2.gz PTPPTVOOXSVSIG-WDEREUQCSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571228497 953164466 /nfs/dbraw/zinc/16/44/66/953164466.db2.gz PTPPTVOOXSVSIG-WDEREUQCSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)nn1 ZINC001571228608 953165254 /nfs/dbraw/zinc/16/52/54/953165254.db2.gz UDJGOCFASGLLLJ-WDEREUQCSA-N -1 1 383.420 0.373 20 0 GCADMM CCn1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)nn1 ZINC001571228608 953165255 /nfs/dbraw/zinc/16/52/55/953165255.db2.gz UDJGOCFASGLLLJ-WDEREUQCSA-N -1 1 383.420 0.373 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571228575 953165461 /nfs/dbraw/zinc/16/54/61/953165461.db2.gz SJRBCKBQFLEBDN-QWHCGFSZSA-N -1 1 383.416 0.974 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571228575 953165462 /nfs/dbraw/zinc/16/54/62/953165462.db2.gz SJRBCKBQFLEBDN-QWHCGFSZSA-N -1 1 383.416 0.974 20 0 GCADMM CCN(CC1CCN(C(=O)c2cn[nH]n2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571228539 953165474 /nfs/dbraw/zinc/16/54/74/953165474.db2.gz RAMDFGBZPGMGDL-UHFFFAOYSA-N -1 1 383.420 0.154 20 0 GCADMM CCN(CC1CCN(C(=O)c2cn[nH]n2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571228539 953165476 /nfs/dbraw/zinc/16/54/76/953165476.db2.gz RAMDFGBZPGMGDL-UHFFFAOYSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001571229012 953167781 /nfs/dbraw/zinc/16/77/81/953167781.db2.gz YHQWHNBCFLPWKF-BDJLRTHQSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001571229012 953167784 /nfs/dbraw/zinc/16/77/84/953167784.db2.gz YHQWHNBCFLPWKF-BDJLRTHQSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001571229021 953167870 /nfs/dbraw/zinc/16/78/70/953167870.db2.gz YIFHTAGKLBEYII-NSHDSACASA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001571229021 953167872 /nfs/dbraw/zinc/16/78/72/953167872.db2.gz YIFHTAGKLBEYII-NSHDSACASA-N -1 1 383.420 0.160 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)c3cn(C)nn3)C2)n1 ZINC001571229251 953168247 /nfs/dbraw/zinc/16/82/47/953168247.db2.gz BHJDJBNMVHZVIT-LLVKDONJSA-N -1 1 383.420 0.058 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)c3cn(C)nn3)C2)n1 ZINC001571229251 953168251 /nfs/dbraw/zinc/16/82/51/953168251.db2.gz BHJDJBNMVHZVIT-LLVKDONJSA-N -1 1 383.420 0.058 20 0 GCADMM CCn1nncc1C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571229090 953168685 /nfs/dbraw/zinc/16/86/85/953168685.db2.gz ZXANAMQYKWJDKM-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM CCn1nncc1C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571229090 953168686 /nfs/dbraw/zinc/16/86/86/953168686.db2.gz ZXANAMQYKWJDKM-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571229443 953169708 /nfs/dbraw/zinc/16/97/08/953169708.db2.gz FHECDGIXRPNCAY-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnnn2C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571229443 953169710 /nfs/dbraw/zinc/16/97/10/953169710.db2.gz FHECDGIXRPNCAY-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571229751 953171368 /nfs/dbraw/zinc/17/13/68/953171368.db2.gz MDXMCJKYVXLGQV-LLVKDONJSA-N -1 1 383.420 0.140 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571229751 953171369 /nfs/dbraw/zinc/17/13/69/953171369.db2.gz MDXMCJKYVXLGQV-LLVKDONJSA-N -1 1 383.420 0.140 20 0 GCADMM Cn1cnc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571229831 953172080 /nfs/dbraw/zinc/17/20/80/953172080.db2.gz OUDMQYRAEGFLAU-GHMZBOCLSA-N -1 1 383.420 0.186 20 0 GCADMM Cn1cnc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571229831 953172083 /nfs/dbraw/zinc/17/20/83/953172083.db2.gz OUDMQYRAEGFLAU-GHMZBOCLSA-N -1 1 383.420 0.186 20 0 GCADMM O=C(Cn1cncn1)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571229829 953172368 /nfs/dbraw/zinc/17/23/68/953172368.db2.gz OSDXPBGXMHLWEY-GFCCVEGCSA-N -1 1 383.420 0.132 20 0 GCADMM O=C(Cn1cncn1)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571229829 953172370 /nfs/dbraw/zinc/17/23/70/953172370.db2.gz OSDXPBGXMHLWEY-GFCCVEGCSA-N -1 1 383.420 0.132 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@H]2NC(=O)c2cnnn2C)n1 ZINC001571230170 953174677 /nfs/dbraw/zinc/17/46/77/953174677.db2.gz SYWUVJFWMBJSNE-GHMZBOCLSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@H]2NC(=O)c2cnnn2C)n1 ZINC001571230170 953174678 /nfs/dbraw/zinc/17/46/78/953174678.db2.gz SYWUVJFWMBJSNE-GHMZBOCLSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)[C@@H](C)n3cncn3)C2)n1 ZINC001571230332 953175847 /nfs/dbraw/zinc/17/58/47/953175847.db2.gz VQOCLAPFTWNXHV-VOMCLLRMSA-N -1 1 383.420 0.219 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)[C@@H](C)n3cncn3)C2)n1 ZINC001571230332 953175849 /nfs/dbraw/zinc/17/58/49/953175849.db2.gz VQOCLAPFTWNXHV-VOMCLLRMSA-N -1 1 383.420 0.219 20 0 GCADMM O=C(Cc1nnc[nH]1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571230507 953177638 /nfs/dbraw/zinc/17/76/38/953177638.db2.gz XEDJFBLOCOFZPV-LLVKDONJSA-N -1 1 383.420 0.201 20 0 GCADMM C[C@]12CN(C(=O)c3cncs3)C[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571230758 953179345 /nfs/dbraw/zinc/17/93/45/953179345.db2.gz JOERYODVVNNILV-HWPZZCPQSA-N -1 1 383.441 0.712 20 0 GCADMM C[C@]12CN(C(=O)c3cncs3)C[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571230758 953179348 /nfs/dbraw/zinc/17/93/48/953179348.db2.gz JOERYODVVNNILV-HWPZZCPQSA-N -1 1 383.441 0.712 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)c1nccs1 ZINC001571230854 953181251 /nfs/dbraw/zinc/18/12/51/953181251.db2.gz LWZLRCDFUAVKDW-QFYYESIMSA-N -1 1 383.441 0.902 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)c1nccs1 ZINC001571230854 953181252 /nfs/dbraw/zinc/18/12/52/953181252.db2.gz LWZLRCDFUAVKDW-QFYYESIMSA-N -1 1 383.441 0.902 20 0 GCADMM O=C(c1cncs1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571230989 953181727 /nfs/dbraw/zinc/18/17/27/953181727.db2.gz PKGCVMZMDFQBQS-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1cncs1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571230989 953181729 /nfs/dbraw/zinc/18/17/29/953181729.db2.gz PKGCVMZMDFQBQS-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1ccsn1)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571230936 953182201 /nfs/dbraw/zinc/18/22/01/953182201.db2.gz NPQPIMUQQJKPKZ-JQWIXIFHSA-N -1 1 383.441 0.854 20 0 GCADMM C[C@]12CN(C(=O)c3cncs3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571231074 953182715 /nfs/dbraw/zinc/18/27/15/953182715.db2.gz ROKAXQAWCHQOBP-HWPZZCPQSA-N -1 1 383.441 0.712 20 0 GCADMM C[C@]12CN(C(=O)c3cncs3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571231074 953182719 /nfs/dbraw/zinc/18/27/19/953182719.db2.gz ROKAXQAWCHQOBP-HWPZZCPQSA-N -1 1 383.441 0.712 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)c1cncs1 ZINC001571231153 953183525 /nfs/dbraw/zinc/18/35/25/953183525.db2.gz UFYBUUDFGHTIDX-LBPRGKRZSA-N -1 1 383.441 0.902 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)c1cncs1 ZINC001571231153 953183527 /nfs/dbraw/zinc/18/35/27/953183527.db2.gz UFYBUUDFGHTIDX-LBPRGKRZSA-N -1 1 383.441 0.902 20 0 GCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234621 953203546 /nfs/dbraw/zinc/20/35/46/953203546.db2.gz DISFFRKTFPZXBJ-UHFFFAOYSA-N -1 1 384.356 0.013 20 0 GCADMM O=C(c1ccncc1Cl)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571234664 953204215 /nfs/dbraw/zinc/20/42/15/953204215.db2.gz FLIYLDPFJCOJTB-UWVGGRQHSA-N -1 1 383.803 0.808 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001571234774 953205448 /nfs/dbraw/zinc/20/54/48/953205448.db2.gz INARRFZGPQNCPV-LKFCYVNXSA-N -1 1 384.366 0.928 20 0 GCADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1cnsn1 ZINC001571235096 953208699 /nfs/dbraw/zinc/20/86/99/953208699.db2.gz SLRLIRUQGNGWIV-RXMQYKEDSA-N -1 1 383.850 0.837 20 0 GCADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1cnsn1 ZINC001571235096 953208702 /nfs/dbraw/zinc/20/87/02/953208702.db2.gz SLRLIRUQGNGWIV-RXMQYKEDSA-N -1 1 383.850 0.837 20 0 GCADMM CC(C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001571235089 953208824 /nfs/dbraw/zinc/20/88/24/953208824.db2.gz SFLUVBMLXNECJD-YUMQZZPRSA-N -1 1 383.865 0.927 20 0 GCADMM CC(C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001571235089 953208825 /nfs/dbraw/zinc/20/88/25/953208825.db2.gz SFLUVBMLXNECJD-YUMQZZPRSA-N -1 1 383.865 0.927 20 0 GCADMM CCc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)ccc1O ZINC001571235373 953211934 /nfs/dbraw/zinc/21/19/34/953211934.db2.gz BRFBHANPQUNGBN-UHFFFAOYSA-N -1 1 384.400 0.947 20 0 GCADMM CCc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)ccc1O ZINC001571235373 953211938 /nfs/dbraw/zinc/21/19/38/953211938.db2.gz BRFBHANPQUNGBN-UHFFFAOYSA-N -1 1 384.400 0.947 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)Cc1ccc(C)o1 ZINC001571235470 953212967 /nfs/dbraw/zinc/21/29/67/953212967.db2.gz GBNXCBAFICODSF-ZIAGYGMSSA-N -1 1 384.400 0.121 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)Cc1ccc(C)o1 ZINC001571235470 953212969 /nfs/dbraw/zinc/21/29/69/953212969.db2.gz GBNXCBAFICODSF-ZIAGYGMSSA-N -1 1 384.400 0.121 20 0 GCADMM CO[C@@H](C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1cccnc1)[C@@H]1CCOC1 ZINC001571235569 953213577 /nfs/dbraw/zinc/21/35/77/953213577.db2.gz IYDPXCMIBQZQAP-BXUZGUMPSA-N -1 1 384.400 0.746 20 0 GCADMM CO[C@@H](C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1cccnc1)[C@@H]1CCOC1 ZINC001571235569 953213579 /nfs/dbraw/zinc/21/35/79/953213579.db2.gz IYDPXCMIBQZQAP-BXUZGUMPSA-N -1 1 384.400 0.746 20 0 GCADMM COCc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571235690 953214853 /nfs/dbraw/zinc/21/48/53/953214853.db2.gz NKOBRJHKWBJIRL-NSHDSACASA-N -1 1 384.400 0.795 20 0 GCADMM COCc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571235690 953214856 /nfs/dbraw/zinc/21/48/56/953214856.db2.gz NKOBRJHKWBJIRL-NSHDSACASA-N -1 1 384.400 0.795 20 0 GCADMM C[C@@H](C(=O)NCc1ccc(C2(C)OCCO2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001571235684 953215232 /nfs/dbraw/zinc/21/52/32/953215232.db2.gz NECXNPCVZWBUDC-NSHDSACASA-N -1 1 384.400 0.555 20 0 GCADMM Cc1ccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCCO2)o1 ZINC001571236690 953218757 /nfs/dbraw/zinc/21/87/57/953218757.db2.gz BIUPMMNPXSDULK-LBPRGKRZSA-N -1 1 384.400 0.583 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)Cc2nonc2C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571236948 953218777 /nfs/dbraw/zinc/21/87/77/953218777.db2.gz DEJQAGQSPGCMIR-GXFFZTMASA-N -1 1 384.404 0.064 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)Cc2nonc2C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571236948 953218778 /nfs/dbraw/zinc/21/87/78/953218778.db2.gz DEJQAGQSPGCMIR-GXFFZTMASA-N -1 1 384.404 0.064 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)o1 ZINC001571236997 953219404 /nfs/dbraw/zinc/21/94/04/953219404.db2.gz DZNFWEHKOGWGHG-GFCCVEGCSA-N -1 1 384.400 0.903 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)o1 ZINC001571236997 953219408 /nfs/dbraw/zinc/21/94/08/953219408.db2.gz DZNFWEHKOGWGHG-GFCCVEGCSA-N -1 1 384.400 0.903 20 0 GCADMM Cc1ccoc1C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001571237013 953219985 /nfs/dbraw/zinc/21/99/85/953219985.db2.gz FFOUIADLBQFMNP-LBPRGKRZSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1ccoc1C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001571237013 953219988 /nfs/dbraw/zinc/21/99/88/953219988.db2.gz FFOUIADLBQFMNP-LBPRGKRZSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1coc(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571237315 953220539 /nfs/dbraw/zinc/22/05/39/953220539.db2.gz HFEOMKNWBUBSEV-KRWDZBQOSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1coc(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571237315 953220541 /nfs/dbraw/zinc/22/05/41/953220541.db2.gz HFEOMKNWBUBSEV-KRWDZBQOSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1coc(C)c1C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571237144 953220629 /nfs/dbraw/zinc/22/06/29/953220629.db2.gz FRFXYMKCQTWUCE-GFCCVEGCSA-N -1 1 384.400 0.820 20 0 GCADMM Cc1coc(C)c1C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571237144 953220630 /nfs/dbraw/zinc/22/06/30/953220630.db2.gz FRFXYMKCQTWUCE-GFCCVEGCSA-N -1 1 384.400 0.820 20 0 GCADMM CC[C@H]1CN(C(=O)c2nonc2C)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571237154 953220795 /nfs/dbraw/zinc/22/07/95/953220795.db2.gz FWQJZDDDJXHAJK-WDEREUQCSA-N -1 1 384.404 0.701 20 0 GCADMM CC[C@H]1CN(C(=O)c2nonc2C)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571237154 953220798 /nfs/dbraw/zinc/22/07/98/953220798.db2.gz FWQJZDDDJXHAJK-WDEREUQCSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)o1 ZINC001571238090 953225813 /nfs/dbraw/zinc/22/58/13/953225813.db2.gz TWWYGTLIJQZGIU-WCQYABFASA-N -1 1 384.400 0.236 20 0 GCADMM Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)o1 ZINC001571238090 953225815 /nfs/dbraw/zinc/22/58/15/953225815.db2.gz TWWYGTLIJQZGIU-WCQYABFASA-N -1 1 384.400 0.236 20 0 GCADMM COc1nn(C)cc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571238461 953229227 /nfs/dbraw/zinc/22/92/27/953229227.db2.gz DEFDGSAUAFKCAB-ZJUUUORDSA-N -1 1 384.404 0.114 20 0 GCADMM COc1nn(C)cc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571238461 953229228 /nfs/dbraw/zinc/22/92/28/953229228.db2.gz DEFDGSAUAFKCAB-ZJUUUORDSA-N -1 1 384.404 0.114 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238633 953231326 /nfs/dbraw/zinc/23/13/26/953231326.db2.gz ISBKWUIMENBPHC-SKDRFNHKSA-N -1 1 384.404 0.030 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238770 953232523 /nfs/dbraw/zinc/23/25/23/953232523.db2.gz MLWNKXULVDFCDW-GXSJLCMTSA-N -1 1 384.404 0.558 20 0 GCADMM Cc1nonc1C(=O)N1CC[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238770 953232528 /nfs/dbraw/zinc/23/25/28/953232528.db2.gz MLWNKXULVDFCDW-GXSJLCMTSA-N -1 1 384.404 0.558 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)n1 ZINC001571238819 953233267 /nfs/dbraw/zinc/23/32/67/953233267.db2.gz NAQUZAWBWLWYQR-MWLCHTKSSA-N -1 1 384.404 0.382 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)n1 ZINC001571238819 953233270 /nfs/dbraw/zinc/23/32/70/953233270.db2.gz NAQUZAWBWLWYQR-MWLCHTKSSA-N -1 1 384.404 0.382 20 0 GCADMM Cc1noc(CCC(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571238897 953233770 /nfs/dbraw/zinc/23/37/70/953233770.db2.gz OGSKHNZEHMIAJT-NSHDSACASA-N -1 1 384.404 0.384 20 0 GCADMM Cc1noc(CCC(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571238897 953233773 /nfs/dbraw/zinc/23/37/73/953233773.db2.gz OGSKHNZEHMIAJT-NSHDSACASA-N -1 1 384.404 0.384 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571239102 953235322 /nfs/dbraw/zinc/23/53/22/953235322.db2.gz QIGVZIIEYCWDTF-UHFFFAOYSA-N -1 1 384.404 0.358 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571239102 953235326 /nfs/dbraw/zinc/23/53/26/953235326.db2.gz QIGVZIIEYCWDTF-UHFFFAOYSA-N -1 1 384.404 0.358 20 0 GCADMM Cc1nonc1CC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571239073 953235582 /nfs/dbraw/zinc/23/55/82/953235582.db2.gz PYDNUGNBAKJGQH-LLVKDONJSA-N -1 1 384.404 0.018 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571239278 953238035 /nfs/dbraw/zinc/23/80/35/953238035.db2.gz SAXFNXZXNZPNCO-LLVKDONJSA-N -1 1 384.404 0.031 20 0 GCADMM Cc1nc[nH]c1C(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571239278 953238038 /nfs/dbraw/zinc/23/80/38/953238038.db2.gz SAXFNXZXNZPNCO-LLVKDONJSA-N -1 1 384.404 0.031 20 0 GCADMM Cc1nonc1C(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571239337 953238238 /nfs/dbraw/zinc/23/82/38/953238238.db2.gz UFLBCKKUYADAPI-QWRGUYRKSA-N -1 1 384.404 0.749 20 0 GCADMM Cc1nonc1C(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571239337 953238240 /nfs/dbraw/zinc/23/82/40/953238240.db2.gz UFLBCKKUYADAPI-QWRGUYRKSA-N -1 1 384.404 0.749 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571239494 953239313 /nfs/dbraw/zinc/23/93/13/953239313.db2.gz VLTVXXYPIWMHPN-GHMZBOCLSA-N -1 1 384.404 0.030 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571239494 953239315 /nfs/dbraw/zinc/23/93/15/953239315.db2.gz VLTVXXYPIWMHPN-GHMZBOCLSA-N -1 1 384.404 0.030 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239779 953242779 /nfs/dbraw/zinc/24/27/79/953242779.db2.gz XRVMJDVWTPQKJH-VHSXEESVSA-N -1 1 384.404 0.547 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239779 953242783 /nfs/dbraw/zinc/24/27/83/953242783.db2.gz XRVMJDVWTPQKJH-VHSXEESVSA-N -1 1 384.404 0.547 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2)c1csnn1 ZINC001571241545 953247333 /nfs/dbraw/zinc/24/73/33/953247333.db2.gz CPGDHJLDDHGDIQ-AEJSXWLSSA-N -1 1 384.429 0.296 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2)c1csnn1 ZINC001571241545 953247338 /nfs/dbraw/zinc/24/73/38/953247338.db2.gz CPGDHJLDDHGDIQ-AEJSXWLSSA-N -1 1 384.429 0.296 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@@H]3CC34CCC4)[C@@H](O)C2)n1 ZINC001571242078 953252973 /nfs/dbraw/zinc/25/29/73/953252973.db2.gz AUVYBVPKORGQBJ-UHTWSYAYSA-N -1 1 384.444 0.075 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@@H]3CC34CCC4)[C@@H](O)C2)n1 ZINC001571242078 953252975 /nfs/dbraw/zinc/25/29/75/953252975.db2.gz AUVYBVPKORGQBJ-UHTWSYAYSA-N -1 1 384.444 0.075 20 0 GCADMM C[C@](O)(CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001571242127 953253076 /nfs/dbraw/zinc/25/30/76/953253076.db2.gz BOLOQIIPTBRXAB-IUUKEHGRSA-N -1 1 384.444 0.102 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@H]3CC34CCC4)[C@@H](O)C2)n1 ZINC001571242077 953253152 /nfs/dbraw/zinc/25/31/52/953253152.db2.gz AUVYBVPKORGQBJ-RTXFEEFZSA-N -1 1 384.444 0.075 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@H]3CC34CCC4)[C@@H](O)C2)n1 ZINC001571242077 953253155 /nfs/dbraw/zinc/25/31/55/953253155.db2.gz AUVYBVPKORGQBJ-RTXFEEFZSA-N -1 1 384.444 0.075 20 0 GCADMM O=C(c1cnns1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571242128 953253331 /nfs/dbraw/zinc/25/33/31/953253331.db2.gz VFBRTFDADBYRTO-QWRGUYRKSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnns1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571242128 953253333 /nfs/dbraw/zinc/25/33/33/953253333.db2.gz VFBRTFDADBYRTO-QWRGUYRKSA-N -1 1 384.429 0.392 20 0 GCADMM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571242061 953253357 /nfs/dbraw/zinc/25/33/57/953253357.db2.gz APHACPKNYMPNAL-MXOJCPGVSA-N -1 1 384.444 0.446 20 0 GCADMM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571242061 953253358 /nfs/dbraw/zinc/25/33/58/953253358.db2.gz APHACPKNYMPNAL-MXOJCPGVSA-N -1 1 384.444 0.446 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001571242212 953253973 /nfs/dbraw/zinc/25/39/73/953253973.db2.gz CHQCWKFYPZQMGU-GUTXKFCHSA-N -1 1 384.444 0.651 20 0 GCADMM CN(C(=O)[C@]12CCC[C@H]1OCC2)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571242280 953254481 /nfs/dbraw/zinc/25/44/81/953254481.db2.gz CNFZNSPKEVKNIT-WRSAYESZSA-N -1 1 384.444 0.653 20 0 GCADMM CN(C(=O)[C@]12CCC[C@H]1OCC2)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571242280 953254485 /nfs/dbraw/zinc/25/44/85/953254485.db2.gz CNFZNSPKEVKNIT-WRSAYESZSA-N -1 1 384.444 0.653 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001571242255 953254555 /nfs/dbraw/zinc/25/45/55/953254555.db2.gz CHQCWKFYPZQMGU-NFAWXSAZSA-N -1 1 384.444 0.651 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571242486 953257351 /nfs/dbraw/zinc/25/73/51/953257351.db2.gz HQHNKDBSTKLSND-MXYBEHONSA-N -1 1 384.444 0.509 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571242486 953257356 /nfs/dbraw/zinc/25/73/56/953257356.db2.gz HQHNKDBSTKLSND-MXYBEHONSA-N -1 1 384.444 0.509 20 0 GCADMM C[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571242596 953257510 /nfs/dbraw/zinc/25/75/10/953257510.db2.gz JTTXIMPVOYHQHA-YRGRVCCFSA-N -1 1 384.444 0.732 20 0 GCADMM C[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571242596 953257511 /nfs/dbraw/zinc/25/75/11/953257511.db2.gz JTTXIMPVOYHQHA-YRGRVCCFSA-N -1 1 384.444 0.732 20 0 GCADMM C[C@@H]1COCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571242637 953258357 /nfs/dbraw/zinc/25/83/57/953258357.db2.gz KQOCMUZWTPYUFS-MQYQWHSLSA-N -1 1 384.444 0.509 20 0 GCADMM C[C@@H]1COCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571242637 953258362 /nfs/dbraw/zinc/25/83/62/953258362.db2.gz KQOCMUZWTPYUFS-MQYQWHSLSA-N -1 1 384.444 0.509 20 0 GCADMM C[C@@H]1COCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571242638 953258792 /nfs/dbraw/zinc/25/87/92/953258792.db2.gz KQOCMUZWTPYUFS-YIYPIFLZSA-N -1 1 384.444 0.509 20 0 GCADMM C[C@@H]1COCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571242638 953258794 /nfs/dbraw/zinc/25/87/94/953258794.db2.gz KQOCMUZWTPYUFS-YIYPIFLZSA-N -1 1 384.444 0.509 20 0 GCADMM CO[C@H]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571242853 953259917 /nfs/dbraw/zinc/25/99/17/953259917.db2.gz PMCZZQMTQRZBND-XFMPKHEZSA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@H]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571242853 953259921 /nfs/dbraw/zinc/25/99/21/953259921.db2.gz PMCZZQMTQRZBND-XFMPKHEZSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCCOC1 ZINC001571242802 953260182 /nfs/dbraw/zinc/26/01/82/953260182.db2.gz OJPRJJCIXULMDE-JCGVRSQUSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCCOC1 ZINC001571242802 953260183 /nfs/dbraw/zinc/26/01/83/953260183.db2.gz OJPRJJCIXULMDE-JCGVRSQUSA-N -1 1 384.444 0.368 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001571242931 953261308 /nfs/dbraw/zinc/26/13/08/953261308.db2.gz RFJQBPXOQCJKEN-NWANDNLSSA-N -1 1 384.444 0.427 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001571242931 953261311 /nfs/dbraw/zinc/26/13/11/953261311.db2.gz RFJQBPXOQCJKEN-NWANDNLSSA-N -1 1 384.444 0.427 20 0 GCADMM CN(C(=O)[C@H]1CC12CCOCC2)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571242966 953262038 /nfs/dbraw/zinc/26/20/38/953262038.db2.gz SBMDANKGKICQBD-QWHCGFSZSA-N -1 1 384.444 0.511 20 0 GCADMM CN(C(=O)[C@H]1CC12CCOCC2)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571242966 953262040 /nfs/dbraw/zinc/26/20/40/953262040.db2.gz SBMDANKGKICQBD-QWHCGFSZSA-N -1 1 384.444 0.511 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCO[C@H]2C)n1 ZINC001571243103 953263308 /nfs/dbraw/zinc/26/33/08/953263308.db2.gz WGCUCJPAGGKFNU-IGQOVBAYSA-N -1 1 384.444 0.570 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCO[C@H]2C)n1 ZINC001571243103 953263311 /nfs/dbraw/zinc/26/33/11/953263311.db2.gz WGCUCJPAGGKFNU-IGQOVBAYSA-N -1 1 384.444 0.570 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001571243185 953264395 /nfs/dbraw/zinc/26/43/95/953264395.db2.gz YFHZXBSYSCGRSI-WFGGJUAMSA-N -1 1 384.444 0.509 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001571243185 953264397 /nfs/dbraw/zinc/26/43/97/953264397.db2.gz YFHZXBSYSCGRSI-WFGGJUAMSA-N -1 1 384.444 0.509 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571247541 953283440 /nfs/dbraw/zinc/28/34/40/953283440.db2.gz AKEJOZKAFAGKQY-MELADBBJSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571247541 953283442 /nfs/dbraw/zinc/28/34/42/953283442.db2.gz AKEJOZKAFAGKQY-MELADBBJSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@H]1CC12CCOCC2)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571247628 953284655 /nfs/dbraw/zinc/28/46/55/953284655.db2.gz AUHCFIPYLNKSAM-QWHCGFSZSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@H]1CC12CCOCC2)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571247628 953284660 /nfs/dbraw/zinc/28/46/60/953284660.db2.gz AUHCFIPYLNKSAM-QWHCGFSZSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCOCC1 ZINC001571248049 953289351 /nfs/dbraw/zinc/28/93/51/953289351.db2.gz CQLOAUIZOMWZIQ-CXTNEJHOSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCOCC1 ZINC001571248049 953289354 /nfs/dbraw/zinc/28/93/54/953289354.db2.gz CQLOAUIZOMWZIQ-CXTNEJHOSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571248557 953294902 /nfs/dbraw/zinc/29/49/02/953294902.db2.gz GORWILCXUJCPPX-BCUIYNNISA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571248557 953294904 /nfs/dbraw/zinc/29/49/04/953294904.db2.gz GORWILCXUJCPPX-BCUIYNNISA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571248591 953295398 /nfs/dbraw/zinc/29/53/98/953295398.db2.gz HFKGCAWYOUHIOI-OPQSFPLASA-N -1 1 384.444 0.200 20 0 GCADMM O=C([C@@H]1CCCCO1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571248806 953298041 /nfs/dbraw/zinc/29/80/41/953298041.db2.gz JAIBHLKZYYXPGW-IPYPFGDCSA-N -1 1 384.444 0.511 20 0 GCADMM O=C([C@@H]1CCCCO1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571248806 953298044 /nfs/dbraw/zinc/29/80/44/953298044.db2.gz JAIBHLKZYYXPGW-IPYPFGDCSA-N -1 1 384.444 0.511 20 0 GCADMM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571248828 953298193 /nfs/dbraw/zinc/29/81/93/953298193.db2.gz JMPWEXVFHWYWJD-MCIONIFRSA-N -1 1 384.444 0.297 20 0 GCADMM O=C(C[C@H]1CCCO1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571248944 953298671 /nfs/dbraw/zinc/29/86/71/953298671.db2.gz MKPASWYQLGQLII-JCGVRSQUSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@H]1CCCO1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571248944 953298674 /nfs/dbraw/zinc/29/86/74/953298674.db2.gz MKPASWYQLGQLII-JCGVRSQUSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)[C@]12C[C@H]1CCCC2 ZINC001571248923 953299006 /nfs/dbraw/zinc/29/90/06/953299006.db2.gz MCHVASGHLUQKDD-SNUQEOBHSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)[C@]12C[C@H]1CCCC2 ZINC001571248923 953299009 /nfs/dbraw/zinc/29/90/09/953299009.db2.gz MCHVASGHLUQKDD-SNUQEOBHSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C1CCOCC1)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571249317 953303465 /nfs/dbraw/zinc/30/34/65/953303465.db2.gz OKAQBDURRIAFFX-KBPBESRZSA-N -1 1 384.444 0.653 20 0 GCADMM O=C([C@H]1CCCCO1)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249411 953304433 /nfs/dbraw/zinc/30/44/33/953304433.db2.gz PLVADJMRVPITNP-KDOFPFPSSA-N -1 1 384.444 0.655 20 0 GCADMM O=C([C@H]1CCCCO1)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249411 953304437 /nfs/dbraw/zinc/30/44/37/953304437.db2.gz PLVADJMRVPITNP-KDOFPFPSSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(C1CCOCC1)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571249395 953304995 /nfs/dbraw/zinc/30/49/95/953304995.db2.gz PISASFLVENSVBP-KGLIPLIRSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(C1CCOCC1)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571249395 953304997 /nfs/dbraw/zinc/30/49/97/953304997.db2.gz PISASFLVENSVBP-KGLIPLIRSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C12CCC(CC1)CC2 ZINC001571251205 953315639 /nfs/dbraw/zinc/31/56/39/953315639.db2.gz SKNYTDHONLNGAF-JWOUMNJPSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C12CCC(CC1)CC2 ZINC001571251205 953315643 /nfs/dbraw/zinc/31/56/43/953315643.db2.gz SKNYTDHONLNGAF-JWOUMNJPSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(C[C@@H]1CCOC1)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571251286 953316628 /nfs/dbraw/zinc/31/66/28/953316628.db2.gz TVYCWGXGJCNVIS-STQMWFEESA-N -1 1 384.444 0.558 20 0 GCADMM O=C([C@H]1COC(=O)N1)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571251818 953320249 /nfs/dbraw/zinc/32/02/49/953320249.db2.gz ANBLPWIGKJNPNF-PHDIDXHHSA-N -1 1 384.809 0.098 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571252214 953325111 /nfs/dbraw/zinc/32/51/11/953325111.db2.gz ZCFSGYGNYVBODJ-SCLBCKFNSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571252214 953325114 /nfs/dbraw/zinc/32/51/14/953325114.db2.gz ZCFSGYGNYVBODJ-SCLBCKFNSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571252209 953325152 /nfs/dbraw/zinc/32/51/52/953325152.db2.gz YYSTYFLHZAPAKD-WZNRFSEPSA-N -1 1 384.444 0.636 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571252209 953325155 /nfs/dbraw/zinc/32/51/55/953325155.db2.gz YYSTYFLHZAPAKD-WZNRFSEPSA-N -1 1 384.444 0.636 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCC1(c2cccc(F)c2)CC1 ZINC001571254291 953338234 /nfs/dbraw/zinc/33/82/34/953338234.db2.gz BIEIJFJXTPKIOE-UHFFFAOYSA-N -1 1 385.359 0.116 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)on1 ZINC001571254986 953344127 /nfs/dbraw/zinc/34/41/27/953344127.db2.gz DLHAVRPWBVDLSZ-GWCFXTLKSA-N -1 1 385.388 0.295 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)on1 ZINC001571254986 953344130 /nfs/dbraw/zinc/34/41/30/953344130.db2.gz DLHAVRPWBVDLSZ-GWCFXTLKSA-N -1 1 385.388 0.295 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571255283 953347962 /nfs/dbraw/zinc/34/79/62/953347962.db2.gz HIJGRXYQOZDLHR-NXEZZACHSA-N -1 1 385.388 0.664 20 0 GCADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571255283 953347966 /nfs/dbraw/zinc/34/79/66/953347966.db2.gz HIJGRXYQOZDLHR-NXEZZACHSA-N -1 1 385.388 0.664 20 0 GCADMM Cc1nsc(N2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571255567 953350647 /nfs/dbraw/zinc/35/06/47/953350647.db2.gz QLQRCBUWTBSKAE-MAUMQABQSA-N -1 1 385.400 0.199 20 0 GCADMM CCc1ncoc1C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571255613 953351536 /nfs/dbraw/zinc/35/15/36/953351536.db2.gz KFYGYHUMTFPRMS-SNVBAGLBSA-N -1 1 385.388 0.160 20 0 GCADMM CCc1ncoc1C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571255613 953351544 /nfs/dbraw/zinc/35/15/44/953351544.db2.gz KFYGYHUMTFPRMS-SNVBAGLBSA-N -1 1 385.388 0.160 20 0 GCADMM CCc1ncoc1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571255611 953352339 /nfs/dbraw/zinc/35/23/39/953352339.db2.gz KFYGYHUMTFPRMS-JTQLQIEISA-N -1 1 385.388 0.160 20 0 GCADMM 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20 0 GCADMM Cc1ccc(C[C@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000737335322 598830558 /nfs/dbraw/zinc/83/05/58/598830558.db2.gz RVZBKPKWUFFPIZ-CQSZACIVSA-N -1 1 381.440 0.784 20 0 GCADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735572153 598835651 /nfs/dbraw/zinc/83/56/51/598835651.db2.gz SEEKVKCXKSDDKG-IUCAKERBSA-N -1 1 391.450 0.448 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCN1CCOC1=O ZINC000737198764 598842655 /nfs/dbraw/zinc/84/26/55/598842655.db2.gz CTYLMTRCXDEPJX-UHFFFAOYSA-N -1 1 390.400 0.902 20 0 GCADMM COC(=O)N[C@@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C(C)C ZINC000736936006 598846098 /nfs/dbraw/zinc/84/60/98/598846098.db2.gz MFLSODNZGPVUPK-GFCCVEGCSA-N -1 1 394.388 0.939 20 0 GCADMM CC(=O)N1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735464453 598873615 /nfs/dbraw/zinc/87/36/15/598873615.db2.gz ARHFWTWAVWVBCN-UHFFFAOYSA-N -1 1 384.849 0.763 20 0 GCADMM CC(=O)N1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735464453 598873617 /nfs/dbraw/zinc/87/36/17/598873617.db2.gz ARHFWTWAVWVBCN-UHFFFAOYSA-N -1 1 384.849 0.763 20 0 GCADMM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736869933 598874760 /nfs/dbraw/zinc/87/47/60/598874760.db2.gz DFSPZLIZXYXAKH-SECBINFHSA-N -1 1 384.849 0.667 20 0 GCADMM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736869933 598874761 /nfs/dbraw/zinc/87/47/61/598874761.db2.gz DFSPZLIZXYXAKH-SECBINFHSA-N -1 1 384.849 0.667 20 0 GCADMM CCOC(=O)c1cc(CC)sc1NC(=O)Cn1cnnc1-c1nn[n-]n1 ZINC000736603859 598875686 /nfs/dbraw/zinc/87/56/86/598875686.db2.gz SSZIVZOOOPFXST-UHFFFAOYSA-N -1 1 376.402 0.898 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(Cn2cccn2)no1 ZINC000737486938 598890831 /nfs/dbraw/zinc/89/08/31/598890831.db2.gz GRQRQGZOEKHTFZ-UHFFFAOYSA-N -1 1 391.399 0.939 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(Cn2cccn2)no1 ZINC000737486938 598890832 /nfs/dbraw/zinc/89/08/32/598890832.db2.gz GRQRQGZOEKHTFZ-UHFFFAOYSA-N -1 1 391.399 0.939 20 0 GCADMM CC[S@@](=O)CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736667510 598893456 /nfs/dbraw/zinc/89/34/56/598893456.db2.gz VFLXHNCEYWYTBN-HHHXNRCGSA-N -1 1 390.473 0.344 20 0 GCADMM CC[S@@](=O)CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736667510 598893457 /nfs/dbraw/zinc/89/34/57/598893457.db2.gz VFLXHNCEYWYTBN-HHHXNRCGSA-N -1 1 390.473 0.344 20 0 GCADMM O=C(COC(=O)C1(O)CCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737900535 598898828 /nfs/dbraw/zinc/89/88/28/598898828.db2.gz MOYIZWCVEGVYDI-UHFFFAOYSA-N -1 1 383.368 0.449 20 0 GCADMM O=C(COC(=O)C1(O)CCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737900535 598898829 /nfs/dbraw/zinc/89/88/29/598898829.db2.gz MOYIZWCVEGVYDI-UHFFFAOYSA-N -1 1 383.368 0.449 20 0 GCADMM CCO[C@H](C)c1nc(Cn2c(=O)c(-c3nn[n-]n3)cn(CC)c2=O)cs1 ZINC000736617993 598912698 /nfs/dbraw/zinc/91/26/98/598912698.db2.gz TVHBGLJMEZCQFF-SECBINFHSA-N -1 1 377.430 0.812 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1cnccn1 ZINC000737486075 598913992 /nfs/dbraw/zinc/91/39/92/598913992.db2.gz AFRARVAYTRGZQI-UHFFFAOYSA-N -1 1 379.384 0.992 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1cnccn1 ZINC000737486075 598913993 /nfs/dbraw/zinc/91/39/93/598913993.db2.gz AFRARVAYTRGZQI-UHFFFAOYSA-N -1 1 379.384 0.992 20 0 GCADMM O=C(Cc1ccon1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737975657 598931493 /nfs/dbraw/zinc/93/14/93/598931493.db2.gz SRMDOEAWGMUAAG-UHFFFAOYSA-N -1 1 396.367 0.994 20 0 GCADMM Cc1nc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)no1 ZINC000737478398 598969970 /nfs/dbraw/zinc/96/99/70/598969970.db2.gz RVUGRVYCKABULH-UHFFFAOYSA-N -1 1 378.400 0.824 20 0 GCADMM Cc1nc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)no1 ZINC000737478398 598969972 /nfs/dbraw/zinc/96/99/72/598969972.db2.gz RVUGRVYCKABULH-UHFFFAOYSA-N -1 1 378.400 0.824 20 0 GCADMM Cc1cccc(NC2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000737400495 598976064 /nfs/dbraw/zinc/97/60/64/598976064.db2.gz UWBVRNPONUZYFT-UHFFFAOYSA-N -1 1 396.455 0.653 20 0 GCADMM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738066968 598984082 /nfs/dbraw/zinc/98/40/82/598984082.db2.gz VUZHETLKPDIKHQ-UHFFFAOYSA-N -1 1 384.400 0.246 20 0 GCADMM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738066968 598984084 /nfs/dbraw/zinc/98/40/84/598984084.db2.gz VUZHETLKPDIKHQ-UHFFFAOYSA-N -1 1 384.400 0.246 20 0 GCADMM CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737023300 598984500 /nfs/dbraw/zinc/98/45/00/598984500.db2.gz JPNQPVULKOQNQL-UHFFFAOYSA-N -1 1 389.397 0.696 20 0 GCADMM CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737023300 598984502 /nfs/dbraw/zinc/98/45/02/598984502.db2.gz JPNQPVULKOQNQL-UHFFFAOYSA-N -1 1 389.397 0.696 20 0 GCADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)N2CCOCC2)o1 ZINC000737318514 598985523 /nfs/dbraw/zinc/98/55/23/598985523.db2.gz AZGLIBAUMOACFC-OAHLLOKOSA-N -1 1 383.412 0.966 20 0 GCADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)N2CCOCC2)o1 ZINC000737318514 598985524 /nfs/dbraw/zinc/98/55/24/598985524.db2.gz AZGLIBAUMOACFC-OAHLLOKOSA-N -1 1 383.412 0.966 20 0 GCADMM COCCS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737013805 599006115 /nfs/dbraw/zinc/00/61/15/599006115.db2.gz KALBKQPCLQEIGG-UHFFFAOYSA-N -1 1 388.409 0.934 20 0 GCADMM COCCS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737013805 599006117 /nfs/dbraw/zinc/00/61/17/599006117.db2.gz KALBKQPCLQEIGG-UHFFFAOYSA-N -1 1 388.409 0.934 20 0 GCADMM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738075545 599022432 /nfs/dbraw/zinc/02/24/32/599022432.db2.gz LJNPXRAAJYMGBC-UHFFFAOYSA-N -1 1 386.437 0.997 20 0 GCADMM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738075545 599022434 /nfs/dbraw/zinc/02/24/34/599022434.db2.gz LJNPXRAAJYMGBC-UHFFFAOYSA-N -1 1 386.437 0.997 20 0 GCADMM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)NC(=O)NC1=O ZINC000736221931 599027941 /nfs/dbraw/zinc/02/79/41/599027941.db2.gz CPFUPRUXLPJXTC-SFHVURJKSA-N -1 1 392.379 0.246 20 0 GCADMM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)NC(=O)NC1=O ZINC000736221931 599027943 /nfs/dbraw/zinc/02/79/43/599027943.db2.gz CPFUPRUXLPJXTC-SFHVURJKSA-N -1 1 392.379 0.246 20 0 GCADMM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735811717 599028012 /nfs/dbraw/zinc/02/80/12/599028012.db2.gz RTRKHMCONMGSIP-CYBMUJFWSA-N -1 1 375.458 0.939 20 0 GCADMM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735811717 599028014 /nfs/dbraw/zinc/02/80/14/599028014.db2.gz RTRKHMCONMGSIP-CYBMUJFWSA-N -1 1 375.458 0.939 20 0 GCADMM O=C(CC(F)(F)F)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738023048 599028847 /nfs/dbraw/zinc/02/88/47/599028847.db2.gz GDZPOFUWCLZTHY-UHFFFAOYSA-N -1 1 383.334 0.935 20 0 GCADMM O=C(CC(F)(F)F)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738023048 599028849 /nfs/dbraw/zinc/02/88/49/599028849.db2.gz GDZPOFUWCLZTHY-UHFFFAOYSA-N -1 1 383.334 0.935 20 0 GCADMM CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000736626319 599029838 /nfs/dbraw/zinc/02/98/38/599029838.db2.gz RNJZHMHRLRMJCU-UHFFFAOYSA-N -1 1 395.427 0.721 20 0 GCADMM CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000736626319 599029839 /nfs/dbraw/zinc/02/98/39/599029839.db2.gz RNJZHMHRLRMJCU-UHFFFAOYSA-N -1 1 395.427 0.721 20 0 GCADMM CCOC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736592947 599031156 /nfs/dbraw/zinc/03/11/56/599031156.db2.gz FTARMCYBRUBUHW-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM CCOC(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736592947 599031158 /nfs/dbraw/zinc/03/11/58/599031158.db2.gz FTARMCYBRUBUHW-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cc(Nc3nccnc3-c3nnn[n-]3)cn2)C[C@H](C)O1 ZINC000820736019 599035240 /nfs/dbraw/zinc/03/52/40/599035240.db2.gz WPNXJGQEIJDAFC-QWRGUYRKSA-N -1 1 384.404 0.233 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cc(Nc3nccnc3-c3nn[n-]n3)cn2)C[C@H](C)O1 ZINC000820736019 599035243 /nfs/dbraw/zinc/03/52/43/599035243.db2.gz WPNXJGQEIJDAFC-QWRGUYRKSA-N -1 1 384.404 0.233 20 0 GCADMM CCOC(=O)[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736595019 599048720 /nfs/dbraw/zinc/04/87/20/599048720.db2.gz UOVZIOLSKUZZEH-LLVKDONJSA-N -1 1 378.389 0.279 20 0 GCADMM CCOC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736594974 599048801 /nfs/dbraw/zinc/04/88/01/599048801.db2.gz UNJOYHBXWMSISG-CMPLNLGQSA-N -1 1 392.416 0.667 20 0 GCADMM CN(C)Cc1cc(CNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)ccc1F ZINC000736771438 599058530 /nfs/dbraw/zinc/05/85/30/599058530.db2.gz LRVDJKJKGZLRGS-UHFFFAOYSA-N -1 1 388.407 0.077 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCN(c3ccccc3)C2)n(C)c1=O ZINC000737594841 599059569 /nfs/dbraw/zinc/05/95/69/599059569.db2.gz BSHNHPPEEXFWPM-GFCCVEGCSA-N -1 1 382.428 0.345 20 0 GCADMM Cc1ccc(N2CCC[C@H](Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)cc1 ZINC000822242648 599064601 /nfs/dbraw/zinc/06/46/01/599064601.db2.gz SGLXQXVUZZBRRT-ZDUSSCGKSA-N -1 1 396.455 0.653 20 0 GCADMM COc1cccc(O[C@H](C)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000821871743 599061993 /nfs/dbraw/zinc/06/19/93/599061993.db2.gz CWCJSDOSQHOWPK-SNVBAGLBSA-N -1 1 387.400 0.152 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccc(F)cc2)CC2CC2)n(C)c1=O ZINC000737591525 599064022 /nfs/dbraw/zinc/06/40/22/599064022.db2.gz LGDGIUXBPKMDJS-UHFFFAOYSA-N -1 1 385.403 0.820 20 0 GCADMM COc1ccc(O[C@H](C)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000821838010 599074677 /nfs/dbraw/zinc/07/46/77/599074677.db2.gz JFDRBEOUSRKWCO-SNVBAGLBSA-N -1 1 387.400 0.152 20 0 GCADMM C[C@@H]1C[C@H](c2ccccc2F)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000820665274 599076905 /nfs/dbraw/zinc/07/69/05/599076905.db2.gz FFXGMWCGBSJRSK-ZWNOBZJWSA-N -1 1 385.403 0.991 20 0 GCADMM COc1ccccc1O[C@@H](C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821904113 599077360 /nfs/dbraw/zinc/07/73/60/599077360.db2.gz QLDWRAKNLRXCDW-JTQLQIEISA-N -1 1 387.400 0.152 20 0 GCADMM O=C(NCCCN1C(=O)COc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738065198 599094514 /nfs/dbraw/zinc/09/45/14/599094514.db2.gz HMXBZJJQXVRIMN-UHFFFAOYSA-N -1 1 379.380 0.807 20 0 GCADMM O=C(NCCCN1C(=O)COc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738065198 599094517 /nfs/dbraw/zinc/09/45/17/599094517.db2.gz HMXBZJJQXVRIMN-UHFFFAOYSA-N -1 1 379.380 0.807 20 0 GCADMM COC[C@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCO1 ZINC000736977020 599105321 /nfs/dbraw/zinc/10/53/21/599105321.db2.gz UHBYSBOLBVGHBP-GFCCVEGCSA-N -1 1 376.417 0.391 20 0 GCADMM O=C(NN1CC(=O)[N-]C1=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738308330 599107936 /nfs/dbraw/zinc/10/79/36/599107936.db2.gz YZUGNBCVSUVNJY-UHFFFAOYSA-N -1 1 393.363 0.642 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2C[C@@H](O)c2ccccc2)n(C)c1=O ZINC000822601189 599108745 /nfs/dbraw/zinc/10/87/45/599108745.db2.gz UWYOLYKKIZTBOK-UONOGXRCSA-N -1 1 397.439 0.357 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2C[C@@H](O)c2ccccc2)n(C)c1=O ZINC000822601190 599109776 /nfs/dbraw/zinc/10/97/76/599109776.db2.gz UWYOLYKKIZTBOK-ZIAGYGMSSA-N -1 1 397.439 0.357 20 0 GCADMM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821160256 599344694 /nfs/dbraw/zinc/34/46/94/599344694.db2.gz IDQAARZBVKFNFO-VIFPVBQESA-N -1 1 391.450 0.450 20 0 GCADMM CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736326605 599136904 /nfs/dbraw/zinc/13/69/04/599136904.db2.gz BPOOGPKYLCCADS-ZANVPECISA-N -1 1 376.373 0.122 20 0 GCADMM CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736326605 599136906 /nfs/dbraw/zinc/13/69/06/599136906.db2.gz BPOOGPKYLCCADS-ZANVPECISA-N -1 1 376.373 0.122 20 0 GCADMM CNC(=O)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736872017 599137207 /nfs/dbraw/zinc/13/72/07/599137207.db2.gz VWDPVFJWAIYFBO-HNNXBMFYSA-N -1 1 395.379 0.022 20 0 GCADMM CNC(=O)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736872017 599137209 /nfs/dbraw/zinc/13/72/09/599137209.db2.gz VWDPVFJWAIYFBO-HNNXBMFYSA-N -1 1 395.379 0.022 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821441819 599345581 /nfs/dbraw/zinc/34/55/81/599345581.db2.gz PHLIWDVAEZDVIB-SECBINFHSA-N -1 1 391.450 0.450 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccco2)CC1 ZINC000738218011 599141606 /nfs/dbraw/zinc/14/16/06/599141606.db2.gz CTVVDOLXYLIWMH-UHFFFAOYSA-N -1 1 397.395 0.356 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccco2)CC1 ZINC000738218011 599141607 /nfs/dbraw/zinc/14/16/07/599141607.db2.gz CTVVDOLXYLIWMH-UHFFFAOYSA-N -1 1 397.395 0.356 20 0 GCADMM COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736895615 599143254 /nfs/dbraw/zinc/14/32/54/599143254.db2.gz YUOWEHMFBAHVKY-LBPRGKRZSA-N -1 1 376.373 0.122 20 0 GCADMM COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736895615 599143255 /nfs/dbraw/zinc/14/32/55/599143255.db2.gz YUOWEHMFBAHVKY-LBPRGKRZSA-N -1 1 376.373 0.122 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000738258721 599153844 /nfs/dbraw/zinc/15/38/44/599153844.db2.gz MAWYHDSTALGAHC-UHFFFAOYSA-N -1 1 394.438 0.537 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000738258721 599153847 /nfs/dbraw/zinc/15/38/47/599153847.db2.gz MAWYHDSTALGAHC-UHFFFAOYSA-N -1 1 394.438 0.537 20 0 GCADMM COCCOC[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737006110 599207874 /nfs/dbraw/zinc/20/78/74/599207874.db2.gz OBNDGPXBUMJIBZ-JTQLQIEISA-N -1 1 378.433 0.684 20 0 GCADMM COCCOC[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737006112 599208022 /nfs/dbraw/zinc/20/80/22/599208022.db2.gz OBNDGPXBUMJIBZ-SNVBAGLBSA-N -1 1 378.433 0.684 20 0 GCADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@H](CC)C(=O)[O-] ZINC000581884724 597221882 /nfs/dbraw/zinc/22/18/82/597221882.db2.gz UYOASJJFWOVLMV-CQSZACIVSA-N -1 1 392.456 0.755 20 0 GCADMM COCCNC(=O)CN1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737007822 599261207 /nfs/dbraw/zinc/26/12/07/599261207.db2.gz YSCIMEDQGNLXLB-UHFFFAOYSA-N -1 1 396.455 0.300 20 0 GCADMM CC(=O)NC[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCO1 ZINC000735474949 599264183 /nfs/dbraw/zinc/26/41/83/599264183.db2.gz RMQZTLGXFANLIB-CYBMUJFWSA-N -1 1 399.411 0.536 20 0 GCADMM CC(=O)NC[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCO1 ZINC000735474949 599264185 /nfs/dbraw/zinc/26/41/85/599264185.db2.gz RMQZTLGXFANLIB-CYBMUJFWSA-N -1 1 399.411 0.536 20 0 GCADMM CC(=O)NC[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000735473934 599269929 /nfs/dbraw/zinc/26/99/29/599269929.db2.gz LSIQTRNTDCXVTB-GWCFXTLKSA-N -1 1 391.432 0.240 20 0 GCADMM CC(=O)NCCN(C(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21)[C@H](C)C(=O)[O-] ZINC000262174577 597692181 /nfs/dbraw/zinc/69/21/81/597692181.db2.gz DRGDWPBQPPLVJF-WDEREUQCSA-N -1 1 389.412 0.119 20 0 GCADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820294158 607324061 /nfs/dbraw/zinc/32/40/61/607324061.db2.gz RTTQZFHCAZLNRA-MRVPVSSYSA-N -1 1 379.377 0.535 20 0 GCADMM Cn1c(=O)c2ccc(C(=O)OC[C@@H]3CCC[N@H+]3CC(=O)[O-])cc2[n-]c1=S ZINC000821277914 598063556 /nfs/dbraw/zinc/06/35/56/598063556.db2.gz VKDDWMDQKKGGHV-NSHDSACASA-N -1 1 377.422 0.928 20 0 GCADMM Cc1nn2cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cnc2c1Cl ZINC000821216518 598086876 /nfs/dbraw/zinc/08/68/76/598086876.db2.gz FFTOFXNMNYPUGH-UHFFFAOYSA-N -1 1 375.838 0.328 20 0 GCADMM CCc1nc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3CC(=O)[O-])CCO2)n[nH]1 ZINC000820492263 598171735 /nfs/dbraw/zinc/17/17/35/598171735.db2.gz CLMPOPHYBQPKDV-ZDUSSCGKSA-N -1 1 387.396 0.533 20 0 GCADMM CC(C)[C@@H](NCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000820041914 598188422 /nfs/dbraw/zinc/18/84/22/598188422.db2.gz VTMXMHIIAWNOQN-QGZVFWFLSA-N -1 1 377.441 0.474 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCN1CCO[C@H](C)C1 ZINC000737198769 598231855 /nfs/dbraw/zinc/23/18/55/598231855.db2.gz CYUBFLHHZHCZRK-LLVKDONJSA-N -1 1 389.460 0.354 20 0 GCADMM Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737356595 598259204 /nfs/dbraw/zinc/25/92/04/598259204.db2.gz HWPDEAAMNWAILT-UHFFFAOYSA-N -1 1 387.425 0.829 20 0 GCADMM Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737356595 598259205 /nfs/dbraw/zinc/25/92/05/598259205.db2.gz HWPDEAAMNWAILT-UHFFFAOYSA-N -1 1 387.425 0.829 20 0 GCADMM O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338760 598260201 /nfs/dbraw/zinc/26/02/01/598260201.db2.gz MGOURRVFSLKKQM-UHFFFAOYSA-N -1 1 388.409 0.554 20 0 GCADMM O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338760 598260202 /nfs/dbraw/zinc/26/02/02/598260202.db2.gz MGOURRVFSLKKQM-UHFFFAOYSA-N -1 1 388.409 0.554 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCN2CCOC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737185639 598260274 /nfs/dbraw/zinc/26/02/74/598260274.db2.gz ABTVIRXOQHGVHI-VIFPVBQESA-N -1 1 379.446 0.140 20 0 GCADMM O=S(=O)(NCCCn1cnc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337960 598261428 /nfs/dbraw/zinc/26/14/28/598261428.db2.gz ILJMVMRFMNCNCU-UHFFFAOYSA-N -1 1 384.425 0.980 20 0 GCADMM O=S(=O)(NCCCn1cnc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337960 598261429 /nfs/dbraw/zinc/26/14/29/598261429.db2.gz ILJMVMRFMNCNCU-UHFFFAOYSA-N -1 1 384.425 0.980 20 0 GCADMM NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737745725 598262360 /nfs/dbraw/zinc/26/23/60/598262360.db2.gz FFOWWYILIGNMFU-UHFFFAOYSA-N -1 1 387.425 0.328 20 0 GCADMM NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737745725 598262361 /nfs/dbraw/zinc/26/23/61/598262361.db2.gz FFOWWYILIGNMFU-UHFFFAOYSA-N -1 1 387.425 0.328 20 0 GCADMM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736912324 598262443 /nfs/dbraw/zinc/26/24/43/598262443.db2.gz PYKNSBOJIIKKAE-AWEZNQCLSA-N -1 1 388.409 0.844 20 0 GCADMM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736912324 598262445 /nfs/dbraw/zinc/26/24/45/598262445.db2.gz PYKNSBOJIIKKAE-AWEZNQCLSA-N -1 1 388.409 0.844 20 0 GCADMM CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735594843 598262774 /nfs/dbraw/zinc/26/27/74/598262774.db2.gz WIAGJNMFPNABKW-UHFFFAOYSA-N -1 1 393.473 0.531 20 0 GCADMM CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735594843 598262775 /nfs/dbraw/zinc/26/27/75/598262775.db2.gz WIAGJNMFPNABKW-UHFFFAOYSA-N -1 1 393.473 0.531 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccsc2)CC1 ZINC000738355288 598262881 /nfs/dbraw/zinc/26/28/81/598262881.db2.gz NLQGCSFGKDOQEJ-UHFFFAOYSA-N -1 1 391.482 0.830 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccsc2)CC1 ZINC000738355288 598262882 /nfs/dbraw/zinc/26/28/82/598262882.db2.gz NLQGCSFGKDOQEJ-UHFFFAOYSA-N -1 1 391.482 0.830 20 0 GCADMM CN(Cc1nnc2n1CCCCC2)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736829657 598264059 /nfs/dbraw/zinc/26/40/59/598264059.db2.gz ANQXYGYSCRXCFM-UHFFFAOYSA-N -1 1 389.445 0.400 20 0 GCADMM CN(Cc1nnc2n1CCCCC2)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736829657 598264060 /nfs/dbraw/zinc/26/40/60/598264060.db2.gz ANQXYGYSCRXCFM-UHFFFAOYSA-N -1 1 389.445 0.400 20 0 GCADMM O=S(=O)(NCCN1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337788 598264234 /nfs/dbraw/zinc/26/42/34/598264234.db2.gz GPCLVADQDSDERE-UHFFFAOYSA-N -1 1 385.453 0.598 20 0 GCADMM O=S(=O)(NCCN1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337788 598264236 /nfs/dbraw/zinc/26/42/36/598264236.db2.gz GPCLVADQDSDERE-UHFFFAOYSA-N -1 1 385.453 0.598 20 0 GCADMM O=S(=O)(NCc1nncn1-c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344832 598264646 /nfs/dbraw/zinc/26/46/46/598264646.db2.gz JJNPRGLFFXMWOO-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(NCc1nncn1-c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344832 598264647 /nfs/dbraw/zinc/26/46/47/598264647.db2.gz JJNPRGLFFXMWOO-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000738352782 598264908 /nfs/dbraw/zinc/26/49/08/598264908.db2.gz AOKWSXAOBAZZHQ-NWDGAFQWSA-N -1 1 396.498 0.937 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000738352782 598264909 /nfs/dbraw/zinc/26/49/09/598264909.db2.gz AOKWSXAOBAZZHQ-NWDGAFQWSA-N -1 1 396.498 0.937 20 0 GCADMM O=C1C[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1 ZINC000738301426 598267874 /nfs/dbraw/zinc/26/78/74/598267874.db2.gz OQPUWJNCKIHKKR-OAHLLOKOSA-N -1 1 399.436 0.514 20 0 GCADMM O=C1C[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1 ZINC000738301426 598267876 /nfs/dbraw/zinc/26/78/76/598267876.db2.gz OQPUWJNCKIHKKR-OAHLLOKOSA-N -1 1 399.436 0.514 20 0 GCADMM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736479638 598269888 /nfs/dbraw/zinc/26/98/88/598269888.db2.gz DMNHCWMZIAIUSE-NSHDSACASA-N -1 1 379.446 0.189 20 0 GCADMM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736479638 598269889 /nfs/dbraw/zinc/26/98/89/598269889.db2.gz DMNHCWMZIAIUSE-NSHDSACASA-N -1 1 379.446 0.189 20 0 GCADMM CCCCNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736457308 598269955 /nfs/dbraw/zinc/26/99/55/598269955.db2.gz MOTPTVCWRFJEOL-GFCCVEGCSA-N -1 1 397.486 0.242 20 0 GCADMM CCCCNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736457308 598269956 /nfs/dbraw/zinc/26/99/56/598269956.db2.gz MOTPTVCWRFJEOL-GFCCVEGCSA-N -1 1 397.486 0.242 20 0 GCADMM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735684498 598271331 /nfs/dbraw/zinc/27/13/31/598271331.db2.gz DPLCMCJFKPNCKL-NSHDSACASA-N -1 1 379.446 0.187 20 0 GCADMM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735684498 598271333 /nfs/dbraw/zinc/27/13/33/598271333.db2.gz DPLCMCJFKPNCKL-NSHDSACASA-N -1 1 379.446 0.187 20 0 GCADMM CC(C)COC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735839363 598271568 /nfs/dbraw/zinc/27/15/68/598271568.db2.gz QWEHUZOZFMMFEZ-UHFFFAOYSA-N -1 1 395.445 0.361 20 0 GCADMM CC(C)COC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735839363 598271569 /nfs/dbraw/zinc/27/15/69/598271569.db2.gz QWEHUZOZFMMFEZ-UHFFFAOYSA-N -1 1 395.445 0.361 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C(N)=O)C(C)C ZINC000737488877 598288250 /nfs/dbraw/zinc/28/82/50/598288250.db2.gz ZJTCTDVTFMOCGT-AWEZNQCLSA-N -1 1 386.416 0.512 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C(N)=O)C(C)C ZINC000737488877 598288251 /nfs/dbraw/zinc/28/82/51/598288251.db2.gz ZJTCTDVTFMOCGT-AWEZNQCLSA-N -1 1 386.416 0.512 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC(=O)OCC1CC1 ZINC000737488168 598297915 /nfs/dbraw/zinc/29/79/15/598297915.db2.gz PUQSRPGWDWTVAZ-UHFFFAOYSA-N -1 1 398.427 0.528 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC(=O)OCC1CC1 ZINC000737488168 598297917 /nfs/dbraw/zinc/29/79/17/598297917.db2.gz PUQSRPGWDWTVAZ-UHFFFAOYSA-N -1 1 398.427 0.528 20 0 GCADMM CCOC(=O)c1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC000736603074 598341734 /nfs/dbraw/zinc/34/17/34/598341734.db2.gz SQZBWHPUAMEDOP-UHFFFAOYSA-N -1 1 381.400 0.555 20 0 GCADMM CCOC(=O)c1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC000736603074 598341735 /nfs/dbraw/zinc/34/17/35/598341735.db2.gz SQZBWHPUAMEDOP-UHFFFAOYSA-N -1 1 381.400 0.555 20 0 GCADMM CN1CCN(C(=O)c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)CC1 ZINC000736857866 598344512 /nfs/dbraw/zinc/34/45/12/598344512.db2.gz UPEIULRIDYSKTH-UHFFFAOYSA-N -1 1 379.428 0.656 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000735632434 598346036 /nfs/dbraw/zinc/34/60/36/598346036.db2.gz COZQZQPDORFDIY-UHFFFAOYSA-N -1 1 389.420 0.148 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(C(=O)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000735632434 598346038 /nfs/dbraw/zinc/34/60/38/598346038.db2.gz COZQZQPDORFDIY-UHFFFAOYSA-N -1 1 389.420 0.148 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1OC ZINC000737121074 598350142 /nfs/dbraw/zinc/35/01/42/598350142.db2.gz LOABMNPIUXKWDQ-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1OC ZINC000737121074 598350143 /nfs/dbraw/zinc/35/01/43/598350143.db2.gz LOABMNPIUXKWDQ-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM CN(CCCOc1cccc(S(C)(=O)=O)c1)c1nccnc1-c1nnn[n-]1 ZINC000736798117 598350197 /nfs/dbraw/zinc/35/01/97/598350197.db2.gz PTWWGDORFKPLHD-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM CN(CCCOc1cccc(S(C)(=O)=O)c1)c1nccnc1-c1nn[n-]n1 ZINC000736798117 598350198 /nfs/dbraw/zinc/35/01/98/598350198.db2.gz PTWWGDORFKPLHD-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](Cc3ccccc3)C2)n(C)c1=O ZINC000737598176 598363794 /nfs/dbraw/zinc/36/37/94/598363794.db2.gz ZTUPKCVDHKZRHU-AWEZNQCLSA-N -1 1 381.440 0.723 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](Cc3ccccc3)C2)n(C)c1=O ZINC000737598179 598363812 /nfs/dbraw/zinc/36/38/12/598363812.db2.gz ZTUPKCVDHKZRHU-CQSZACIVSA-N -1 1 381.440 0.723 20 0 GCADMM COc1ccc(OC)c(CN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737108755 598385626 /nfs/dbraw/zinc/38/56/26/598385626.db2.gz BMQMAIASBYARKD-UHFFFAOYSA-N -1 1 382.428 0.996 20 0 GCADMM O=C(COC(=O)C1(O)CCCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737901777 598408784 /nfs/dbraw/zinc/40/87/84/598408784.db2.gz ZAQRZVNGNIXQAJ-UHFFFAOYSA-N -1 1 397.395 0.839 20 0 GCADMM O=C(COC(=O)C1(O)CCCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737901777 598408785 /nfs/dbraw/zinc/40/87/85/598408785.db2.gz ZAQRZVNGNIXQAJ-UHFFFAOYSA-N -1 1 397.395 0.839 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(n2cccn2)C1 ZINC000737488345 598505764 /nfs/dbraw/zinc/50/57/64/598505764.db2.gz SKTIZTMERDKBGC-UHFFFAOYSA-N -1 1 392.427 0.739 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(n2cccn2)C1 ZINC000737488345 598505766 /nfs/dbraw/zinc/50/57/66/598505766.db2.gz SKTIZTMERDKBGC-UHFFFAOYSA-N -1 1 392.427 0.739 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccccc2OCC(F)(F)F)n(C)c1=O ZINC000737595107 598506800 /nfs/dbraw/zinc/50/68/00/598506800.db2.gz GIRSCXQZAGSVRD-UHFFFAOYSA-N -1 1 398.301 0.998 20 0 GCADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC000736261418 598537542 /nfs/dbraw/zinc/53/75/42/598537542.db2.gz NYXOXTPIQKFLGP-KBPBESRZSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC000736261418 598537544 /nfs/dbraw/zinc/53/75/44/598537544.db2.gz NYXOXTPIQKFLGP-KBPBESRZSA-N -1 1 385.476 0.474 20 0 GCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)nnn1-c1cccc2cnccc21 ZINC000737208336 598541951 /nfs/dbraw/zinc/54/19/51/598541951.db2.gz ANGZCKFCAZMKNK-UHFFFAOYSA-N -1 1 387.367 0.771 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(Cc3ccccc3)n2)c1 ZINC000736940631 598584938 /nfs/dbraw/zinc/58/49/38/598584938.db2.gz NQFNSFRRHMNOER-UHFFFAOYSA-N -1 1 393.363 0.837 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCC[S@](C)=O ZINC000737487778 598624401 /nfs/dbraw/zinc/62/44/01/598624401.db2.gz NCWGYHKBBOPPPC-MHZLTWQESA-N -1 1 390.473 0.344 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCC[S@](C)=O ZINC000737487778 598624403 /nfs/dbraw/zinc/62/44/03/598624403.db2.gz NCWGYHKBBOPPPC-MHZLTWQESA-N -1 1 390.473 0.344 20 0 GCADMM CCc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705111 598642956 /nfs/dbraw/zinc/64/29/56/598642956.db2.gz CLVXIJROAWZGQN-UHFFFAOYSA-N -1 1 397.395 0.916 20 0 GCADMM CCCCNC(=O)NC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736461925 598643086 /nfs/dbraw/zinc/64/30/86/598643086.db2.gz WBGTZDAACKXMAP-UHFFFAOYSA-N -1 1 376.421 0.174 20 0 GCADMM COC(=O)[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCO1 ZINC000736911697 598670079 /nfs/dbraw/zinc/67/00/79/598670079.db2.gz IONYOXWISCQHEK-LLVKDONJSA-N -1 1 386.368 0.573 20 0 GCADMM COC(=O)[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCO1 ZINC000736911697 598670081 /nfs/dbraw/zinc/67/00/81/598670081.db2.gz IONYOXWISCQHEK-LLVKDONJSA-N -1 1 386.368 0.573 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccccc1N1CCCC1=O ZINC000737986082 598676674 /nfs/dbraw/zinc/67/66/74/598676674.db2.gz AUQFEJIGWAULEY-UHFFFAOYSA-N -1 1 379.380 0.794 20 0 GCADMM Cc1ccc(NC(=O)CN(C)C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000737356871 598676927 /nfs/dbraw/zinc/67/69/27/598676927.db2.gz TWWMEZSIDLPNEP-UHFFFAOYSA-N -1 1 381.396 0.434 20 0 GCADMM CCOC(=O)[C@H]1CSCCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821325606 607364327 /nfs/dbraw/zinc/36/43/27/607364327.db2.gz HKGKBCMULBVGDI-LLVKDONJSA-N -1 1 394.457 0.996 20 0 GCADMM O=C(CCn1ccnn1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737861621 598684025 /nfs/dbraw/zinc/68/40/25/598684025.db2.gz HDICQYFJCHRDGX-UHFFFAOYSA-N -1 1 384.404 0.063 20 0 GCADMM COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736911909 598685155 /nfs/dbraw/zinc/68/51/55/598685155.db2.gz JNVXOYPZEYSILL-KOLCDFICSA-N -1 1 378.389 0.277 20 0 GCADMM O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738338637 598687657 /nfs/dbraw/zinc/68/76/57/598687657.db2.gz GYFZXXJKIXARHE-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM CCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736301586 598691272 /nfs/dbraw/zinc/69/12/72/598691272.db2.gz DXDXVUNFQSSXLM-UHFFFAOYSA-N -1 1 382.421 0.639 20 0 GCADMM CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735457673 598692422 /nfs/dbraw/zinc/69/24/22/598692422.db2.gz BAHSPULQRZEFKG-UHFFFAOYSA-N -1 1 382.421 0.637 20 0 GCADMM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736523759 598709316 /nfs/dbraw/zinc/70/93/16/598709316.db2.gz QVUHHCWVIMIGDM-ZDUSSCGKSA-N -1 1 379.446 0.283 20 0 GCADMM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736523759 598709318 /nfs/dbraw/zinc/70/93/18/598709318.db2.gz QVUHHCWVIMIGDM-ZDUSSCGKSA-N -1 1 379.446 0.283 20 0 GCADMM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000735952795 598712424 /nfs/dbraw/zinc/71/24/24/598712424.db2.gz LCHFTBRBZGLDJW-UHFFFAOYSA-N -1 1 392.420 0.925 20 0 GCADMM Cn1nnnc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000737626792 598723314 /nfs/dbraw/zinc/72/33/14/598723314.db2.gz LEUBLUBWYFOCIS-UHFFFAOYSA-N -1 1 388.189 0.516 20 0 GCADMM Cc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc(-c2ccncc2)n1 ZINC000737279982 598743356 /nfs/dbraw/zinc/74/33/56/598743356.db2.gz IAZDIBFROQJJNO-UHFFFAOYSA-N -1 1 377.416 0.799 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1ncccn1 ZINC000822459777 607366109 /nfs/dbraw/zinc/36/61/09/607366109.db2.gz VYWOJRUQXOGYSN-UHFFFAOYSA-N -1 1 378.400 0.565 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1ncccn1 ZINC000822459777 607366112 /nfs/dbraw/zinc/36/61/12/607366112.db2.gz VYWOJRUQXOGYSN-UHFFFAOYSA-N -1 1 378.400 0.565 20 0 GCADMM COC(=O)CN1CCN(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)CC1 ZINC000736931869 598755668 /nfs/dbraw/zinc/75/56/68/598755668.db2.gz WJIPATOSZVSRIW-UHFFFAOYSA-N -1 1 395.427 0.695 20 0 GCADMM COC(=O)CN1CCN(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)CC1 ZINC000736931869 598755669 /nfs/dbraw/zinc/75/56/69/598755669.db2.gz WJIPATOSZVSRIW-UHFFFAOYSA-N -1 1 395.427 0.695 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000737547188 598794520 /nfs/dbraw/zinc/79/45/20/598794520.db2.gz IFBKFTMRURQHFS-NSHDSACASA-N -1 1 379.384 0.895 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000737547188 598794521 /nfs/dbraw/zinc/79/45/21/598794521.db2.gz IFBKFTMRURQHFS-NSHDSACASA-N -1 1 379.384 0.895 20 0 GCADMM O=C1[C@@H](N2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCN1c1ccccc1 ZINC000738292372 598795740 /nfs/dbraw/zinc/79/57/40/598795740.db2.gz ZWQNKHKUEHQRMM-HNNXBMFYSA-N -1 1 391.439 0.584 20 0 GCADMM O=C1[C@@H](N2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCN1c1ccccc1 ZINC000738292372 598795741 /nfs/dbraw/zinc/79/57/41/598795741.db2.gz ZWQNKHKUEHQRMM-HNNXBMFYSA-N -1 1 391.439 0.584 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000737201431 598807963 /nfs/dbraw/zinc/80/79/63/598807963.db2.gz SAUIMZBPMKNPML-HNNXBMFYSA-N -1 1 387.444 0.500 20 0 GCADMM CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819940183 599339608 /nfs/dbraw/zinc/33/96/08/599339608.db2.gz RRGFJFLTLZGEJR-UHFFFAOYSA-N -1 1 386.409 0.809 20 0 GCADMM CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819940183 599339609 /nfs/dbraw/zinc/33/96/09/599339609.db2.gz RRGFJFLTLZGEJR-UHFFFAOYSA-N -1 1 386.409 0.809 20 0 GCADMM Cc1nonc1COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737547664 599340464 /nfs/dbraw/zinc/34/04/64/599340464.db2.gz MTZPROXCSFFXLE-UHFFFAOYSA-N -1 1 383.372 0.894 20 0 GCADMM Cc1nonc1COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737547664 599340467 /nfs/dbraw/zinc/34/04/67/599340467.db2.gz MTZPROXCSFFXLE-UHFFFAOYSA-N -1 1 383.372 0.894 20 0 GCADMM CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821605138 599341854 /nfs/dbraw/zinc/34/18/54/599341854.db2.gz WUECMNUJRUMEKF-UHFFFAOYSA-N -1 1 379.851 0.185 20 0 GCADMM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC000821554983 599342246 /nfs/dbraw/zinc/34/22/46/599342246.db2.gz XFGYODBCFFSTKG-UHFFFAOYSA-N -1 1 394.848 0.879 20 0 GCADMM C[C@H]([C@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000819884604 599343748 /nfs/dbraw/zinc/34/37/48/599343748.db2.gz XQZTUZHMSSCGCH-DTWKUNHWSA-N -1 1 391.450 0.448 20 0 GCADMM C[C@H]([C@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000819884604 599343752 /nfs/dbraw/zinc/34/37/52/599343752.db2.gz XQZTUZHMSSCGCH-DTWKUNHWSA-N -1 1 391.450 0.448 20 0 GCADMM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821160256 599344693 /nfs/dbraw/zinc/34/46/93/599344693.db2.gz IDQAARZBVKFNFO-VIFPVBQESA-N -1 1 391.450 0.450 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821441819 599345579 /nfs/dbraw/zinc/34/55/79/599345579.db2.gz PHLIWDVAEZDVIB-SECBINFHSA-N -1 1 391.450 0.450 20 0 GCADMM CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821598189 599345845 /nfs/dbraw/zinc/34/58/45/599345845.db2.gz UQWDNMBLORTVGJ-SECBINFHSA-N -1 1 389.434 0.061 20 0 GCADMM CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821598189 599345847 /nfs/dbraw/zinc/34/58/47/599345847.db2.gz UQWDNMBLORTVGJ-SECBINFHSA-N -1 1 389.434 0.061 20 0 GCADMM CN(CCN1CCCC1=O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821601513 599345981 /nfs/dbraw/zinc/34/59/81/599345981.db2.gz LFECEKTWSAFYOW-UHFFFAOYSA-N -1 1 384.849 0.763 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2ccc(F)c(Cl)c2)c1=O ZINC000736714980 599367931 /nfs/dbraw/zinc/36/79/31/599367931.db2.gz YPSZWGFOUOCQCH-UHFFFAOYSA-N -1 1 378.751 0.885 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)OCCCS(N)(=O)=O)c1-c1nnn[n-]1 ZINC000737188732 599368265 /nfs/dbraw/zinc/36/82/65/599368265.db2.gz FCSORQWVZHKNNL-UHFFFAOYSA-N -1 1 398.470 0.696 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)OCCCS(N)(=O)=O)c1-c1nn[n-]n1 ZINC000737188732 599368268 /nfs/dbraw/zinc/36/82/68/599368268.db2.gz FCSORQWVZHKNNL-UHFFFAOYSA-N -1 1 398.470 0.696 20 0 GCADMM O=C1NCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1cccs1 ZINC000823547838 599373548 /nfs/dbraw/zinc/37/35/48/599373548.db2.gz PLVJTWJJCBSAFJ-GFCCVEGCSA-N -1 1 391.438 0.185 20 0 GCADMM O=C1NCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1cccs1 ZINC000823547838 599373550 /nfs/dbraw/zinc/37/35/50/599373550.db2.gz PLVJTWJJCBSAFJ-GFCCVEGCSA-N -1 1 391.438 0.185 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCN2C(=S)N=NC2C)cc1-c1nn[n-]n1 ZINC000821977200 599397735 /nfs/dbraw/zinc/39/77/35/599397735.db2.gz FAGZFLJKLFVFON-UHFFFAOYSA-N -1 1 393.458 0.308 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(c3ccccc3F)CC2)n(C)c1=O ZINC000737594786 599441348 /nfs/dbraw/zinc/44/13/48/599441348.db2.gz AHJAQJZCXUBMJZ-UHFFFAOYSA-N -1 1 385.403 0.787 20 0 GCADMM CN(CCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736801891 599449609 /nfs/dbraw/zinc/44/96/09/599449609.db2.gz WGKUUVBSTDIPQQ-UHFFFAOYSA-N -1 1 397.461 0.797 20 0 GCADMM CN(CCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736801891 599449611 /nfs/dbraw/zinc/44/96/11/599449611.db2.gz WGKUUVBSTDIPQQ-UHFFFAOYSA-N -1 1 397.461 0.797 20 0 GCADMM COC(C)(C)CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821672592 599458773 /nfs/dbraw/zinc/45/87/73/599458773.db2.gz QJNUNJYMRXLXLV-UHFFFAOYSA-N -1 1 390.448 0.989 20 0 GCADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736237509 599474494 /nfs/dbraw/zinc/47/44/94/599474494.db2.gz WXPWOIJPPJDIAP-JQWIXIFHSA-N -1 1 385.403 0.786 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820635258 599492077 /nfs/dbraw/zinc/49/20/77/599492077.db2.gz LGNYCFFVMQNUOD-GFCCVEGCSA-N -1 1 375.414 0.111 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820635258 599492078 /nfs/dbraw/zinc/49/20/78/599492078.db2.gz LGNYCFFVMQNUOD-GFCCVEGCSA-N -1 1 375.414 0.111 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2cccc3[nH]ccc32)c1-c1nnn[n-]1 ZINC000737769446 599507543 /nfs/dbraw/zinc/50/75/43/599507543.db2.gz KEDWFOCCNZADAY-UHFFFAOYSA-N -1 1 394.399 0.341 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2cccc3[nH]ccc32)c1-c1nn[n-]n1 ZINC000737769446 599507544 /nfs/dbraw/zinc/50/75/44/599507544.db2.gz KEDWFOCCNZADAY-UHFFFAOYSA-N -1 1 394.399 0.341 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cccc(OC(F)F)c2)c1=O ZINC000736713652 599520404 /nfs/dbraw/zinc/52/04/04/599520404.db2.gz KJXNWOIHZCDFDW-UHFFFAOYSA-N -1 1 392.322 0.694 20 0 GCADMM CC(=O)N1CCN(C(=O)CCNc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000819796573 599543765 /nfs/dbraw/zinc/54/37/65/599543765.db2.gz LZWVAPYFNWSGEC-UHFFFAOYSA-N -1 1 394.439 0.908 20 0 GCADMM CC(=O)N1CCN(C(=O)CCNc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000819796573 599543766 /nfs/dbraw/zinc/54/37/66/599543766.db2.gz LZWVAPYFNWSGEC-UHFFFAOYSA-N -1 1 394.439 0.908 20 0 GCADMM CCc1ccc([C@@H](COC)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000821480752 599585359 /nfs/dbraw/zinc/58/53/59/599585359.db2.gz DLXCCAIVGALBHD-SNVBAGLBSA-N -1 1 375.389 0.219 20 0 GCADMM COc1ccc([C@@H](C)CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000821777452 599587804 /nfs/dbraw/zinc/58/78/04/599587804.db2.gz FPFISAKNHKVYQR-NSHDSACASA-N -1 1 385.428 0.878 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCCNC(N)=O ZINC000822458019 599624982 /nfs/dbraw/zinc/62/49/82/599624982.db2.gz BTJYXZMYMOUCRH-UHFFFAOYSA-N -1 1 387.404 0.060 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCCNC(N)=O ZINC000822458019 599624983 /nfs/dbraw/zinc/62/49/83/599624983.db2.gz BTJYXZMYMOUCRH-UHFFFAOYSA-N -1 1 387.404 0.060 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000822458968 599653106 /nfs/dbraw/zinc/65/31/06/599653106.db2.gz LCTODVTXPBILLI-BETUJISGSA-N -1 1 382.428 0.849 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000822458968 599653107 /nfs/dbraw/zinc/65/31/07/599653107.db2.gz LCTODVTXPBILLI-BETUJISGSA-N -1 1 382.428 0.849 20 0 GCADMM Cc1ccc(-c2nc(CNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)co2)cc1 ZINC000822214064 599688665 /nfs/dbraw/zinc/68/86/65/599688665.db2.gz NSKISBVPTVXMCY-UHFFFAOYSA-N -1 1 394.395 0.840 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCn2cnnc2C(C)C)cc1-c1nn[n-]n1 ZINC000821979394 599691658 /nfs/dbraw/zinc/69/16/58/599691658.db2.gz RRFPAPVEHGADQH-UHFFFAOYSA-N -1 1 389.445 0.834 20 0 GCADMM CN(CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1ncnc2[nH]cnc21 ZINC000737395626 599766244 /nfs/dbraw/zinc/76/62/44/599766244.db2.gz YAWPRNYEJQFPRJ-UHFFFAOYSA-N -1 1 397.395 0.632 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000739451881 599779516 /nfs/dbraw/zinc/77/95/16/599779516.db2.gz APRLTCBREQPZKY-HNNXBMFYSA-N -1 1 392.437 0.620 20 0 GCADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC000737864011 599818712 /nfs/dbraw/zinc/81/87/12/599818712.db2.gz RDNNVMFPPIMBKX-HNNXBMFYSA-N -1 1 382.457 0.522 20 0 GCADMM Cc1cscc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826321100 607396710 /nfs/dbraw/zinc/39/67/10/607396710.db2.gz QFVCJGORCQXXRI-UHFFFAOYSA-N -1 1 375.418 0.229 20 0 GCADMM Cc1cscc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826321100 607396712 /nfs/dbraw/zinc/39/67/12/607396712.db2.gz QFVCJGORCQXXRI-UHFFFAOYSA-N -1 1 375.418 0.229 20 0 GCADMM CN1CCN(c2ccccc2NC(=O)C(=O)NCCSCC(=O)[O-])CC1 ZINC000737528623 599909787 /nfs/dbraw/zinc/90/97/87/599909787.db2.gz AGWNQXBMWNQFPI-UHFFFAOYSA-N -1 1 380.470 0.311 20 0 GCADMM CC(C)(NCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C(=O)[O-] ZINC000736339256 599927060 /nfs/dbraw/zinc/92/70/60/599927060.db2.gz OPQYSYXRWWTBRQ-JYRVWZFOSA-N -1 1 395.481 0.584 20 0 GCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000738530555 599971318 /nfs/dbraw/zinc/97/13/18/599971318.db2.gz FIPAUVXPQVSCGE-KRWDZBQOSA-N -1 1 390.484 0.580 20 0 GCADMM COC(=O)c1cc(NC(=O)N[C@H](C)CN2CCN(C)CC2)cc(C(=O)[O-])c1 ZINC000737662590 600011144 /nfs/dbraw/zinc/01/11/44/600011144.db2.gz QNJQOXVENDTGNZ-GFCCVEGCSA-N -1 1 378.429 0.929 20 0 GCADMM O=C([O-])[C@@H]1CN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000390614924 600032893 /nfs/dbraw/zinc/03/28/93/600032893.db2.gz MVKOQFOGLQCHCD-KRWDZBQOSA-N -1 1 376.457 0.299 20 0 GCADMM COc1ccc([C@@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)N(C)C)cc1OC ZINC000737958499 600032989 /nfs/dbraw/zinc/03/29/89/600032989.db2.gz ZUAIYUODOJXUEJ-CJNGLKHVSA-N -1 1 381.429 0.802 20 0 GCADMM O=C([O-])COc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000738620037 600053252 /nfs/dbraw/zinc/05/32/52/600053252.db2.gz VIPGAZIHPCFVLB-UHFFFAOYSA-N -1 1 376.346 0.834 20 0 GCADMM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)CCO1 ZINC000739487686 600053992 /nfs/dbraw/zinc/05/39/92/600053992.db2.gz CUUPTKIOGWBXFZ-HNNXBMFYSA-N -1 1 393.465 0.486 20 0 GCADMM C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000736586398 600099199 /nfs/dbraw/zinc/09/91/99/600099199.db2.gz MYVFJHNNGAREJN-LLVKDONJSA-N -1 1 375.878 0.952 20 0 GCADMM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000739293995 600142216 /nfs/dbraw/zinc/14/22/16/600142216.db2.gz RFPDUFOVLFSRGB-CVEARBPZSA-N -1 1 379.482 0.694 20 0 GCADMM O=C([O-])c1ccc(OC[C@H](O)CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000740161826 600145514 /nfs/dbraw/zinc/14/55/14/600145514.db2.gz STNFFOOMQZUMSU-AEFFLSMTSA-N -1 1 392.452 0.838 20 0 GCADMM CCC[C@@](C)(NCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C(=O)[O-] ZINC000736964382 600155600 /nfs/dbraw/zinc/15/56/00/600155600.db2.gz NRILJTZQIRRPPR-GOSISDBHSA-N -1 1 389.460 0.245 20 0 GCADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CCC(=O)N(C)CC(=O)[O-])CC2)C1 ZINC000736748474 600157665 /nfs/dbraw/zinc/15/76/65/600157665.db2.gz FJKMMTUXBJDQAS-HOTGVXAUSA-N -1 1 382.505 0.042 20 0 GCADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000737401559 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ZINC000830951341 601492497 /nfs/dbraw/zinc/49/24/97/601492497.db2.gz XTVSYZZUZFCOHB-NSHDSACASA-N -1 1 380.470 0.624 20 0 GCADMM CCOC(=O)C1=C(CN2CCOC[C@@H]2C(=O)[O-])NC(=O)N[C@@H]1c1ccccc1 ZINC000829832481 601558968 /nfs/dbraw/zinc/55/89/68/601558968.db2.gz HWALSIDQHYCIJV-GDBMZVCRSA-N -1 1 389.408 0.643 20 0 GCADMM COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1C(=O)[O-] ZINC000831392243 601569728 /nfs/dbraw/zinc/56/97/28/601569728.db2.gz BZKUDJVCOIXNGE-JQWIXIFHSA-N -1 1 389.408 0.851 20 0 GCADMM C[C@@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)N1CCN(C)CC1 ZINC000827507486 601579775 /nfs/dbraw/zinc/57/97/75/601579775.db2.gz JIJHIXYJDWNEKB-JTQLQIEISA-N -1 1 377.413 0.577 20 0 GCADMM Cc1nc([C@@H]2CN(S(=O)(=O)c3cc(F)c(F)c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000832990561 601581897 /nfs/dbraw/zinc/58/18/97/601581897.db2.gz CENQJPOFRDMSCY-NSHDSACASA-N -1 1 388.352 0.852 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)cc2)[nH]1 ZINC000831189238 601758597 /nfs/dbraw/zinc/75/85/97/601758597.db2.gz WBCPVGIBPCRYEJ-NHYWBVRUSA-N -1 1 387.392 0.674 20 0 GCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827455195 601761386 /nfs/dbraw/zinc/76/13/86/601761386.db2.gz LIFYTXIVRXBLQK-AWEZNQCLSA-N -1 1 390.484 0.739 20 0 GCADMM COc1ccc(CN2C(=O)C(=O)N(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000832314346 601815720 /nfs/dbraw/zinc/81/57/20/601815720.db2.gz JYQHQCNAUMLLBL-BXUZGUMPSA-N -1 1 375.381 0.596 20 0 GCADMM COc1ccc(CCN2C(=O)C(=O)N(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)C2=O)cc1 ZINC000832299938 601819400 /nfs/dbraw/zinc/81/94/00/601819400.db2.gz QUXPNFCMBQBTRY-WFASDCNBSA-N -1 1 389.408 0.639 20 0 GCADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)c1nnc(N2CCCC2)s1 ZINC000826487025 607531583 /nfs/dbraw/zinc/53/15/83/607531583.db2.gz AMNKEBYKHGMJJH-UHFFFAOYSA-N -1 1 378.443 0.687 20 0 GCADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)c1nnc(N2CCCC2)s1 ZINC000826487025 607531584 /nfs/dbraw/zinc/53/15/84/607531584.db2.gz AMNKEBYKHGMJJH-UHFFFAOYSA-N -1 1 378.443 0.687 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC[C@H]1CCOC1 ZINC000825001290 607531816 /nfs/dbraw/zinc/53/18/16/607531816.db2.gz YRVPEJCHEPBLOQ-VXGBXAGGSA-N -1 1 389.489 0.078 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC[C@H]1CCOC1 ZINC000825001290 607531817 /nfs/dbraw/zinc/53/18/17/607531817.db2.gz YRVPEJCHEPBLOQ-VXGBXAGGSA-N -1 1 389.489 0.078 20 0 GCADMM COC(=O)c1cccc(N2CC(=O)N(CN3CC[C@](C)(C(=O)[O-])C3)C2=O)c1 ZINC000831453713 601893043 /nfs/dbraw/zinc/89/30/43/601893043.db2.gz YWQNWLLKSLLUSL-SFHVURJKSA-N -1 1 375.381 0.996 20 0 GCADMM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000829069886 601940753 /nfs/dbraw/zinc/94/07/53/601940753.db2.gz VGANOGNEOMSPCO-MOPGFXCFSA-N -1 1 388.424 0.672 20 0 GCADMM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000829069889 601941049 /nfs/dbraw/zinc/94/10/49/601941049.db2.gz VGANOGNEOMSPCO-OALUTQOASA-N -1 1 388.424 0.672 20 0 GCADMM Cc1cc(CNC(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)n[nH]1 ZINC000832882441 602084314 /nfs/dbraw/zinc/08/43/14/602084314.db2.gz HRKWQUGRKNPELD-UHFFFAOYSA-N -1 1 380.426 0.717 20 0 GCADMM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844393 607545360 /nfs/dbraw/zinc/54/53/60/607545360.db2.gz WVTCPFPZBVGLSA-GOSISDBHSA-N -1 1 392.379 0.328 20 0 GCADMM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844393 607545362 /nfs/dbraw/zinc/54/53/62/607545362.db2.gz WVTCPFPZBVGLSA-GOSISDBHSA-N -1 1 392.379 0.328 20 0 GCADMM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844104 607545380 /nfs/dbraw/zinc/54/53/80/607545380.db2.gz PNDQSSWMBUJEAI-GOSISDBHSA-N -1 1 392.379 0.328 20 0 GCADMM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844104 607545382 /nfs/dbraw/zinc/54/53/82/607545382.db2.gz PNDQSSWMBUJEAI-GOSISDBHSA-N -1 1 392.379 0.328 20 0 GCADMM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844395 607545624 /nfs/dbraw/zinc/54/56/24/607545624.db2.gz WVTCPFPZBVGLSA-SFHVURJKSA-N -1 1 392.379 0.328 20 0 GCADMM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844395 607545625 /nfs/dbraw/zinc/54/56/25/607545625.db2.gz WVTCPFPZBVGLSA-SFHVURJKSA-N -1 1 392.379 0.328 20 0 GCADMM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000738620112 602122028 /nfs/dbraw/zinc/12/20/28/602122028.db2.gz IMKCQQBRMWDXEU-KRWDZBQOSA-N -1 1 389.452 0.966 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc(COCC(F)(F)F)c1 ZINC000826425723 607547793 /nfs/dbraw/zinc/54/77/93/607547793.db2.gz QESNEPWTOPRTJT-UHFFFAOYSA-N -1 1 396.333 0.854 20 0 GCADMM Cn1ncc2c1ncnc2N1CCN(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000833063474 602225490 /nfs/dbraw/zinc/22/54/90/602225490.db2.gz YLDYERTYFIQZQR-CQSZACIVSA-N -1 1 389.460 0.101 20 0 GCADMM CN1CCN(C[C@@H](NC(=O)N2CCN(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000737526535 602225731 /nfs/dbraw/zinc/22/57/31/602225731.db2.gz SDGDFSNEQXZSSB-QGZVFWFLSA-N -1 1 375.473 0.980 20 0 GCADMM COc1ccc(-c2cc(C(=O)N(CCN3CCOCC3)CC(=O)[O-])n[nH]2)cc1 ZINC000832112722 602251494 /nfs/dbraw/zinc/25/14/94/602251494.db2.gz XEJVLLJOVVBVDI-UHFFFAOYSA-N -1 1 388.424 0.944 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](c2ccccc2)C(C)(C)CO)n(C)c1=O ZINC000826355563 607565010 /nfs/dbraw/zinc/56/50/10/607565010.db2.gz FQVFRGKDZUZRRI-CYBMUJFWSA-N -1 1 399.455 0.478 20 0 GCADMM Cc1cccc(S(=O)(=O)Oc2ccc(-n3cnnn3)cc2)c1-c1nn[n-]n1 ZINC000826304699 607577368 /nfs/dbraw/zinc/57/73/68/607577368.db2.gz VENOVMDHIKCFLA-UHFFFAOYSA-N -1 1 384.381 0.919 20 0 GCADMM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825841220 607581441 /nfs/dbraw/zinc/58/14/41/607581441.db2.gz UCWYHJBUMSITGG-JTQLQIEISA-N -1 1 384.849 0.761 20 0 GCADMM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825841220 607581443 /nfs/dbraw/zinc/58/14/43/607581443.db2.gz UCWYHJBUMSITGG-JTQLQIEISA-N -1 1 384.849 0.761 20 0 GCADMM O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493398 607578049 /nfs/dbraw/zinc/57/80/49/607578049.db2.gz IMZYFTAMSHLBJL-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493398 607578052 /nfs/dbraw/zinc/57/80/52/607578052.db2.gz IMZYFTAMSHLBJL-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM NC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826389399 607582420 /nfs/dbraw/zinc/58/24/20/607582420.db2.gz XASVMQAHHHILTD-CYBMUJFWSA-N -1 1 376.373 0.511 20 0 GCADMM NC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826389399 607582421 /nfs/dbraw/zinc/58/24/21/607582421.db2.gz XASVMQAHHHILTD-CYBMUJFWSA-N -1 1 376.373 0.511 20 0 GCADMM CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825464405 607583586 /nfs/dbraw/zinc/58/35/86/607583586.db2.gz COFFAGVSIWGKJZ-SSDOTTSWSA-N -1 1 392.363 0.688 20 0 GCADMM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826428460 607583970 /nfs/dbraw/zinc/58/39/70/607583970.db2.gz CGETYKOGCBVUKO-GFCCVEGCSA-N -1 1 396.860 0.952 20 0 GCADMM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826428627 607584214 /nfs/dbraw/zinc/58/42/14/607584214.db2.gz HKQLTYFEWLHBDQ-LLVKDONJSA-N -1 1 396.860 0.952 20 0 GCADMM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826428627 607584215 /nfs/dbraw/zinc/58/42/15/607584215.db2.gz HKQLTYFEWLHBDQ-LLVKDONJSA-N -1 1 396.860 0.952 20 0 GCADMM CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824261667 607584655 /nfs/dbraw/zinc/58/46/55/607584655.db2.gz OGWXOUDDEZZHSE-LBPRGKRZSA-N -1 1 398.464 0.641 20 0 GCADMM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826060713 607585319 /nfs/dbraw/zinc/58/53/19/607585319.db2.gz RIFPJNNULBYIFL-SNVBAGLBSA-N -1 1 384.849 0.809 20 0 GCADMM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826060713 607585320 /nfs/dbraw/zinc/58/53/20/607585320.db2.gz RIFPJNNULBYIFL-SNVBAGLBSA-N -1 1 384.849 0.809 20 0 GCADMM CCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825034886 607594098 /nfs/dbraw/zinc/59/40/98/607594098.db2.gz SMQXVPSRZDARAI-UHFFFAOYSA-N -1 1 382.421 0.639 20 0 GCADMM O=S(=O)(NC[C@H]1COCCO1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490605 607594758 /nfs/dbraw/zinc/59/47/58/607594758.db2.gz ATOWGNNPGGKSLY-VIFPVBQESA-N -1 1 393.347 0.579 20 0 GCADMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1S(N)(=O)=O ZINC000826188195 607596584 /nfs/dbraw/zinc/59/65/84/607596584.db2.gz PYZRMAJUXUXDEX-UHFFFAOYSA-N -1 1 390.381 0.275 20 0 GCADMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1S(N)(=O)=O ZINC000826188195 607596585 /nfs/dbraw/zinc/59/65/85/607596585.db2.gz PYZRMAJUXUXDEX-UHFFFAOYSA-N -1 1 390.381 0.275 20 0 GCADMM NS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826394466 607598175 /nfs/dbraw/zinc/59/81/75/607598175.db2.gz LBOGWJNFSRXVIS-UHFFFAOYSA-N -1 1 394.800 0.920 20 0 GCADMM NS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826394466 607598177 /nfs/dbraw/zinc/59/81/77/607598177.db2.gz LBOGWJNFSRXVIS-UHFFFAOYSA-N -1 1 394.800 0.920 20 0 GCADMM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826388905 607599407 /nfs/dbraw/zinc/59/94/07/607599407.db2.gz LVWVODLRVOEXDX-GFCCVEGCSA-N -1 1 390.400 0.381 20 0 GCADMM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826388905 607599408 /nfs/dbraw/zinc/59/94/08/607599408.db2.gz LVWVODLRVOEXDX-GFCCVEGCSA-N -1 1 390.400 0.381 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(OC)c(-c3nn[nH]n3)c2)o1 ZINC000826090848 607600214 /nfs/dbraw/zinc/60/02/14/607600214.db2.gz QPOHSYBSUAWZBH-UHFFFAOYSA-N -1 1 393.381 0.733 20 0 GCADMM NS(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1F ZINC000826394245 607601762 /nfs/dbraw/zinc/60/17/62/607601762.db2.gz CMJATBHIBFQVEM-UHFFFAOYSA-N -1 1 378.345 0.405 20 0 GCADMM COc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(C(N)=O)c1 ZINC000826211765 607602166 /nfs/dbraw/zinc/60/21/66/607602166.db2.gz TTWLYQXJXWLCDT-UHFFFAOYSA-N -1 1 393.356 0.881 20 0 GCADMM COc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C(N)=O)c1 ZINC000826211765 607602168 /nfs/dbraw/zinc/60/21/68/607602168.db2.gz TTWLYQXJXWLCDT-UHFFFAOYSA-N -1 1 393.356 0.881 20 0 GCADMM COc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c(C(N)=O)c1 ZINC000826211391 607602485 /nfs/dbraw/zinc/60/24/85/607602485.db2.gz ALMSBVMMBXXWGK-UHFFFAOYSA-N -1 1 375.366 0.742 20 0 GCADMM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825838798 607604638 /nfs/dbraw/zinc/60/46/38/607604638.db2.gz CFOFBOCWRLUVMT-SNVBAGLBSA-N -1 1 386.434 0.158 20 0 GCADMM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826328890 607605574 /nfs/dbraw/zinc/60/55/74/607605574.db2.gz IRQUZIFKIJLMOT-SECBINFHSA-N -1 1 394.848 0.713 20 0 GCADMM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826328890 607605575 /nfs/dbraw/zinc/60/55/75/607605575.db2.gz IRQUZIFKIJLMOT-SECBINFHSA-N -1 1 394.848 0.713 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H](C)N1CCOCC1 ZINC000824640453 607610034 /nfs/dbraw/zinc/61/00/34/607610034.db2.gz JAJPFZRDPOELMU-MNOVXSKESA-N -1 1 384.437 0.393 20 0 GCADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](C)N1CCOCC1 ZINC000824640453 607610036 /nfs/dbraw/zinc/61/00/36/607610036.db2.gz JAJPFZRDPOELMU-MNOVXSKESA-N -1 1 384.437 0.393 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nnc2n1CCC2 ZINC000824640957 607611265 /nfs/dbraw/zinc/61/12/65/607611265.db2.gz QHGHQUVNAJFGPX-MRVPVSSYSA-N -1 1 378.393 0.583 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825838717 607616486 /nfs/dbraw/zinc/61/64/86/607616486.db2.gz BMVZJQATLICFTI-GHMZBOCLSA-N -1 1 396.448 0.931 20 0 GCADMM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825838717 607616488 /nfs/dbraw/zinc/61/64/88/607616488.db2.gz BMVZJQATLICFTI-GHMZBOCLSA-N -1 1 396.448 0.931 20 0 GCADMM COC(=O)C1(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCC1 ZINC000826124493 607618865 /nfs/dbraw/zinc/61/88/65/607618865.db2.gz RTKSEUMQJBJXSI-UHFFFAOYSA-N -1 1 398.427 0.671 20 0 GCADMM COC(=O)C1(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CCC1 ZINC000826124493 607618866 /nfs/dbraw/zinc/61/88/66/607618866.db2.gz RTKSEUMQJBJXSI-UHFFFAOYSA-N -1 1 398.427 0.671 20 0 GCADMM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824857083 607619478 /nfs/dbraw/zinc/61/94/78/607619478.db2.gz AEWCFRFIKCKMNG-RKDXNWHRSA-N -1 1 389.434 0.202 20 0 GCADMM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824857083 607619479 /nfs/dbraw/zinc/61/94/79/607619479.db2.gz AEWCFRFIKCKMNG-RKDXNWHRSA-N -1 1 389.434 0.202 20 0 GCADMM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824857082 607619787 /nfs/dbraw/zinc/61/97/87/607619787.db2.gz AEWCFRFIKCKMNG-IUCAKERBSA-N -1 1 389.434 0.202 20 0 GCADMM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824857082 607619788 /nfs/dbraw/zinc/61/97/88/607619788.db2.gz AEWCFRFIKCKMNG-IUCAKERBSA-N -1 1 389.434 0.202 20 0 GCADMM O=S(=O)(NC[C@H](O)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489650 607625673 /nfs/dbraw/zinc/62/56/73/607625673.db2.gz WMWGTQLTJNBBBZ-ZDUSSCGKSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(NC[C@H](O)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489650 607625675 /nfs/dbraw/zinc/62/56/75/607625675.db2.gz WMWGTQLTJNBBBZ-ZDUSSCGKSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489596 607627203 /nfs/dbraw/zinc/62/72/03/607627203.db2.gz UZKYLTQLWYFNTB-LLVKDONJSA-N -1 1 393.400 0.724 20 0 GCADMM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489596 607627205 /nfs/dbraw/zinc/62/72/05/607627205.db2.gz UZKYLTQLWYFNTB-LLVKDONJSA-N -1 1 393.400 0.724 20 0 GCADMM O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488834 607632544 /nfs/dbraw/zinc/63/25/44/607632544.db2.gz AAHCPAPDFSDMSM-CYBMUJFWSA-N -1 1 377.401 0.888 20 0 GCADMM O=S(=O)(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487262 607632599 /nfs/dbraw/zinc/63/25/99/607632599.db2.gz JFUSXEBPTPWASA-LBPRGKRZSA-N -1 1 399.436 0.625 20 0 GCADMM O=S(=O)(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487262 607632601 /nfs/dbraw/zinc/63/26/01/607632601.db2.gz JFUSXEBPTPWASA-LBPRGKRZSA-N -1 1 399.436 0.625 20 0 GCADMM C[C@@](O)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000824670791 607637828 /nfs/dbraw/zinc/63/78/28/607637828.db2.gz VAUZNYYDHQHUIX-OAHLLOKOSA-N -1 1 396.379 0.726 20 0 GCADMM C[C@@](O)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000824670791 607637829 /nfs/dbraw/zinc/63/78/29/607637829.db2.gz VAUZNYYDHQHUIX-OAHLLOKOSA-N -1 1 396.379 0.726 20 0 GCADMM O=S(=O)(N[C@@H](CO)C1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826487098 607638650 /nfs/dbraw/zinc/63/86/50/607638650.db2.gz CVOBWNSYTYQYPX-JTQLQIEISA-N -1 1 377.348 0.935 20 0 GCADMM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825012797 607639591 /nfs/dbraw/zinc/63/95/91/607639591.db2.gz LTJKHHNKVVLSMP-QMMMGPOBSA-N -1 1 391.862 0.328 20 0 GCADMM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825012797 607639593 /nfs/dbraw/zinc/63/95/93/607639593.db2.gz LTJKHHNKVVLSMP-QMMMGPOBSA-N -1 1 391.862 0.328 20 0 GCADMM C[C@H](C(=O)N(C)C)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000824034707 607641955 /nfs/dbraw/zinc/64/19/55/607641955.db2.gz NHDANSFTJLTDJI-LLVKDONJSA-N -1 1 386.416 0.713 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](CN2CCOCC2)C1 ZINC000826496545 607649346 /nfs/dbraw/zinc/64/93/46/607649346.db2.gz ZNYYYGCAHHQEJM-GFCCVEGCSA-N -1 1 396.448 0.349 20 0 GCADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC000824705446 607648072 /nfs/dbraw/zinc/64/80/72/607648072.db2.gz ASNIZUYZBPMSBX-WDEREUQCSA-N -1 1 384.437 0.081 20 0 GCADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC000824705446 607648074 /nfs/dbraw/zinc/64/80/74/607648074.db2.gz ASNIZUYZBPMSBX-WDEREUQCSA-N -1 1 384.437 0.081 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](CN2CCOCC2)C1 ZINC000826496545 607649344 /nfs/dbraw/zinc/64/93/44/607649344.db2.gz ZNYYYGCAHHQEJM-GFCCVEGCSA-N -1 1 396.448 0.349 20 0 GCADMM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1=O ZINC000824297060 607660080 /nfs/dbraw/zinc/66/00/80/607660080.db2.gz PHGZZKFKVLMAFI-SECBINFHSA-N -1 1 398.832 0.334 20 0 GCADMM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1=O ZINC000824297060 607660082 /nfs/dbraw/zinc/66/00/82/607660082.db2.gz PHGZZKFKVLMAFI-SECBINFHSA-N -1 1 398.832 0.334 20 0 GCADMM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826479503 607661114 /nfs/dbraw/zinc/66/11/14/607661114.db2.gz AAVUYGZNUWHYOS-ZJUUUORDSA-N -1 1 382.833 0.562 20 0 GCADMM O=C1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CN1C1CC1 ZINC000826479290 607661283 /nfs/dbraw/zinc/66/12/83/607661283.db2.gz VMZYELBKFDTMQC-MRVPVSSYSA-N -1 1 382.833 0.562 20 0 GCADMM O=C1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CN1C1CC1 ZINC000826479290 607661285 /nfs/dbraw/zinc/66/12/85/607661285.db2.gz VMZYELBKFDTMQC-MRVPVSSYSA-N -1 1 382.833 0.562 20 0 GCADMM O=S(=O)(NC[C@]1(O)CCSC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489993 607661519 /nfs/dbraw/zinc/66/15/19/607661519.db2.gz GUEQLSNTFFDTHS-GFCCVEGCSA-N -1 1 375.863 0.666 20 0 GCADMM O=S(=O)(NC[C@]1(O)CCSC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489993 607661521 /nfs/dbraw/zinc/66/15/21/607661521.db2.gz GUEQLSNTFFDTHS-GFCCVEGCSA-N -1 1 375.863 0.666 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000824994197 607665802 /nfs/dbraw/zinc/66/58/02/607665802.db2.gz UFMPBBWHNGYGST-DGCLKSJQSA-N -1 1 396.448 0.347 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000824994197 607665803 /nfs/dbraw/zinc/66/58/03/607665803.db2.gz UFMPBBWHNGYGST-DGCLKSJQSA-N -1 1 396.448 0.347 20 0 GCADMM O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488719 607666418 /nfs/dbraw/zinc/66/64/18/607666418.db2.gz XDOLDPKCPZUBND-SECBINFHSA-N -1 1 380.821 0.925 20 0 GCADMM O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488719 607666419 /nfs/dbraw/zinc/66/64/19/607666419.db2.gz XDOLDPKCPZUBND-SECBINFHSA-N -1 1 380.821 0.925 20 0 GCADMM CC1(C)CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCS1(=O)=O ZINC000824813421 607669146 /nfs/dbraw/zinc/66/91/46/607669146.db2.gz YHXGUKPPZJYPAK-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM O=S(=O)(NCCCO[C@@H]1CCOC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490705 607669892 /nfs/dbraw/zinc/66/98/92/607669892.db2.gz DRHNNNMXWRBSME-SNVBAGLBSA-N -1 1 387.849 0.994 20 0 GCADMM O=S(=O)(NCCCO[C@@H]1CCOC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490705 607669894 /nfs/dbraw/zinc/66/98/94/607669894.db2.gz DRHNNNMXWRBSME-SNVBAGLBSA-N -1 1 387.849 0.994 20 0 GCADMM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826389995 607671153 /nfs/dbraw/zinc/67/11/53/607671153.db2.gz NKNUCRQVCMGKKC-CMPLNLGQSA-N -1 1 382.421 0.718 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]2CCCC[C@H]2N1 ZINC000826481118 607671482 /nfs/dbraw/zinc/67/14/82/607671482.db2.gz IHOAJDADJGWPDG-NEPJUHHUSA-N -1 1 380.405 0.438 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481136 607671620 /nfs/dbraw/zinc/67/16/20/607671620.db2.gz INUSSCIFFXGYEK-WDEREUQCSA-N -1 1 380.405 0.438 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481136 607671622 /nfs/dbraw/zinc/67/16/22/607671622.db2.gz INUSSCIFFXGYEK-WDEREUQCSA-N -1 1 380.405 0.438 20 0 GCADMM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824406157 607672994 /nfs/dbraw/zinc/67/29/94/607672994.db2.gz DSCZUXCHFIUIRJ-MRVPVSSYSA-N -1 1 377.423 0.107 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@@H]1CN(C)CCO1 ZINC000824640489 607676448 /nfs/dbraw/zinc/67/64/48/607676448.db2.gz JTFGOGZEKUMSDC-ONGXEEELSA-N -1 1 386.865 0.518 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@@H]1CN(C)CCO1 ZINC000824640489 607676450 /nfs/dbraw/zinc/67/64/50/607676450.db2.gz JTFGOGZEKUMSDC-ONGXEEELSA-N -1 1 386.865 0.518 20 0 GCADMM CCNC(=O)C(C)(C)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825465254 607678280 /nfs/dbraw/zinc/67/82/80/607678280.db2.gz JEBFJUCKIFCEHR-UHFFFAOYSA-N -1 1 386.865 0.961 20 0 GCADMM CCNC(=O)C(C)(C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825465254 607678281 /nfs/dbraw/zinc/67/82/81/607678281.db2.gz JEBFJUCKIFCEHR-UHFFFAOYSA-N -1 1 386.865 0.961 20 0 GCADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000827000075 604436319 /nfs/dbraw/zinc/43/63/19/604436319.db2.gz AETLYZQOCOFKBE-HNNXBMFYSA-N -1 1 389.408 0.595 20 0 GCADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000827002175 604444186 /nfs/dbraw/zinc/44/41/86/604444186.db2.gz WFQXGVJHRXRHGQ-INIZCTEOSA-N -1 1 378.473 0.930 20 0 GCADMM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCO[C@@H](CN3CCN(C)CC3)C2)c1 ZINC000832049934 604471018 /nfs/dbraw/zinc/47/10/18/604471018.db2.gz LDUGRAUQEAFBCP-RBUKOAKNSA-N -1 1 393.484 0.778 20 0 GCADMM CCN1C(=O)[C@H]2CN([C@H](C(=O)[O-])c3cc(OC)cc(OC)c3)CCN2C1=O ZINC000829746447 604485134 /nfs/dbraw/zinc/48/51/34/604485134.db2.gz XVDLBZJAYSMHLB-CABCVRRESA-N -1 1 377.397 0.798 20 0 GCADMM CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833690838 604685988 /nfs/dbraw/zinc/68/59/88/604685988.db2.gz GTIVHUIBKPPACN-UHFFFAOYSA-N -1 1 385.423 0.831 20 0 GCADMM C[C@@]1(c2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)c2)NC(=O)NC1=O ZINC000833573236 604688366 /nfs/dbraw/zinc/68/83/66/604688366.db2.gz GVZMOEKBXYPQCZ-INIZCTEOSA-N -1 1 390.377 0.635 20 0 GCADMM C[C@H](CN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C1CC1)C(=O)[O-] ZINC000827450627 604740300 /nfs/dbraw/zinc/74/03/00/604740300.db2.gz YWUCFPJFIGWCKS-NEPJUHHUSA-N -1 1 395.481 0.797 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000832476238 604743956 /nfs/dbraw/zinc/74/39/56/604743956.db2.gz HODUCFZTWRGIQM-SNVBAGLBSA-N -1 1 385.442 0.466 20 0 GCADMM CC[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCN1C[C@@H](C)O 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GCADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000824192940 607763955 /nfs/dbraw/zinc/76/39/55/607763955.db2.gz PDLRULISDSVARD-MRVPVSSYSA-N -1 1 399.379 0.287 20 0 GCADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(-c2nc[nH]n2)no1 ZINC000824192940 607763956 /nfs/dbraw/zinc/76/39/56/607763956.db2.gz PDLRULISDSVARD-MRVPVSSYSA-N -1 1 399.379 0.287 20 0 GCADMM COC(=O)[C@H]1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)[C@@H](C(=O)[O-])C1 ZINC000833706445 605680968 /nfs/dbraw/zinc/68/09/68/605680968.db2.gz HFIVTPVUBSLGLU-CMPLNLGQSA-N -1 1 381.410 0.347 20 0 GCADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000736420941 605701709 /nfs/dbraw/zinc/70/17/09/605701709.db2.gz JPXSQSMALDFJBQ-SJORKVTESA-N -1 1 384.521 0.922 20 0 GCADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000833709653 605768038 /nfs/dbraw/zinc/76/80/38/605768038.db2.gz UINWUYSXPLOYJX-RNFRBKRXSA-N -1 1 377.469 0.784 20 0 GCADMM CCc1oc(C(=O)OC)cc1Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O 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COC(=O)CC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC000821658862 606146333 /nfs/dbraw/zinc/14/63/33/606146333.db2.gz LAVDPNHMLGBMKD-UHFFFAOYSA-N -1 1 380.430 0.806 20 0 GCADMM COC(=O)CC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC000821658862 606146335 /nfs/dbraw/zinc/14/63/35/606146335.db2.gz LAVDPNHMLGBMKD-UHFFFAOYSA-N -1 1 380.430 0.806 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)n1 ZINC000822614259 606157284 /nfs/dbraw/zinc/15/72/84/606157284.db2.gz KQRINQXQKASBOZ-OAHLLOKOSA-N -1 1 397.443 0.795 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](c2ccccc2)N2CCOCC2)n1 ZINC000822614259 606157286 /nfs/dbraw/zinc/15/72/86/606157286.db2.gz KQRINQXQKASBOZ-OAHLLOKOSA-N -1 1 397.443 0.795 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)n1 ZINC000822609131 606157685 /nfs/dbraw/zinc/15/76/85/606157685.db2.gz KHNPHQUSILFMIR-ZDUSSCGKSA-N -1 1 381.400 0.695 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)n1 ZINC000822609131 606157687 /nfs/dbraw/zinc/15/76/87/606157687.db2.gz KHNPHQUSILFMIR-ZDUSSCGKSA-N -1 1 381.400 0.695 20 0 GCADMM Cc1occc1C(=O)NC1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000822553484 606158811 /nfs/dbraw/zinc/15/88/11/606158811.db2.gz LHOLGJARWXOUHG-UHFFFAOYSA-N -1 1 399.415 0.928 20 0 GCADMM Cc1occc1C(=O)NC1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000822553484 606158814 /nfs/dbraw/zinc/15/88/14/606158814.db2.gz LHOLGJARWXOUHG-UHFFFAOYSA-N -1 1 399.415 0.928 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNC(=O)Cc2cccc(F)c2)n1 ZINC000822613999 606159899 /nfs/dbraw/zinc/15/98/99/606159899.db2.gz HQMGZACFWUJSFQ-UHFFFAOYSA-N -1 1 387.379 0.220 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNC(=O)Cc2cccc(F)c2)n1 ZINC000822613999 606159900 /nfs/dbraw/zinc/15/99/00/606159900.db2.gz HQMGZACFWUJSFQ-UHFFFAOYSA-N -1 1 387.379 0.220 20 0 GCADMM Cc1ncc(CN2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)s1 ZINC000822472122 606161588 /nfs/dbraw/zinc/16/15/88/606161588.db2.gz OTRLNQUIHIHTAI-UHFFFAOYSA-N -1 1 388.461 0.715 20 0 GCADMM Cc1ncc(CN2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)s1 ZINC000822472122 606161590 /nfs/dbraw/zinc/16/15/90/606161590.db2.gz OTRLNQUIHIHTAI-UHFFFAOYSA-N -1 1 388.461 0.715 20 0 GCADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)n1 ZINC000821712616 606163181 /nfs/dbraw/zinc/16/31/81/606163181.db2.gz JRCPIQAHTXBHAM-UHFFFAOYSA-N -1 1 376.402 0.588 20 0 GCADMM Cc1ccc(C(=O)N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822226298 606163722 /nfs/dbraw/zinc/16/37/22/606163722.db2.gz LPBFNYYZALGBMI-UHFFFAOYSA-N -1 1 395.427 0.899 20 0 GCADMM Cc1ccc(C(=O)N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822226298 606163724 /nfs/dbraw/zinc/16/37/24/606163724.db2.gz LPBFNYYZALGBMI-UHFFFAOYSA-N -1 1 395.427 0.899 20 0 GCADMM C[C@@H]1CN(c2ccc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)cn2)CCO1 ZINC000820767967 606168013 /nfs/dbraw/zinc/16/80/13/606168013.db2.gz KYIOIQHYJDBTFM-LLVKDONJSA-N -1 1 398.431 0.542 20 0 GCADMM C[C@@H]1CN(c2ccc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)cn2)CCO1 ZINC000820767967 606168015 /nfs/dbraw/zinc/16/80/15/606168015.db2.gz KYIOIQHYJDBTFM-LLVKDONJSA-N -1 1 398.431 0.542 20 0 GCADMM Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1NS(C)(=O)=O ZINC000822248688 606169894 /nfs/dbraw/zinc/16/98/94/606169894.db2.gz ISVOLOSNWDKWIN-UHFFFAOYSA-N -1 1 391.417 0.924 20 0 GCADMM Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1NS(C)(=O)=O ZINC000822248688 606169896 /nfs/dbraw/zinc/16/98/96/606169896.db2.gz ISVOLOSNWDKWIN-UHFFFAOYSA-N -1 1 391.417 0.924 20 0 GCADMM COc1cc(OC)cc([C@H](O)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821724793 606170987 /nfs/dbraw/zinc/17/09/87/606170987.db2.gz YKIUQCHFUXVUCL-CYBMUJFWSA-N -1 1 388.388 0.473 20 0 GCADMM COc1cc(OC)cc([C@H](O)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821724793 606170989 /nfs/dbraw/zinc/17/09/89/606170989.db2.gz YKIUQCHFUXVUCL-CYBMUJFWSA-N -1 1 388.388 0.473 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2nc(Cc3ccccc3)no2)n1 ZINC000822620235 606173484 /nfs/dbraw/zinc/17/34/84/606173484.db2.gz NKVDRXZIDKBQLV-UHFFFAOYSA-N -1 1 380.372 0.896 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2nc(Cc3ccccc3)no2)n1 ZINC000822620235 606173486 /nfs/dbraw/zinc/17/34/86/606173486.db2.gz NKVDRXZIDKBQLV-UHFFFAOYSA-N -1 1 380.372 0.896 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N1CCN(c2ccccc2F)CC1 ZINC000823123288 606178071 /nfs/dbraw/zinc/17/80/71/606178071.db2.gz WDWVDEFGNXLKSQ-UHFFFAOYSA-N -1 1 383.387 0.516 20 0 GCADMM C/C=C(/C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000820827668 606191751 /nfs/dbraw/zinc/19/17/51/606191751.db2.gz VQABRLSVPGPPPW-WMZJFQQLSA-N -1 1 375.389 0.321 20 0 GCADMM COCCCOC1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821687696 606197119 /nfs/dbraw/zinc/19/71/19/606197119.db2.gz KKXYTUNVWDORKH-UHFFFAOYSA-N -1 1 390.444 0.781 20 0 GCADMM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)Cc1cn[nH]c1 ZINC000821593889 606198230 /nfs/dbraw/zinc/19/82/30/606198230.db2.gz OSYFMKVCHVNSBO-UHFFFAOYSA-N -1 1 378.400 0.846 20 0 GCADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)Cc1cn[nH]c1 ZINC000821593889 606198232 /nfs/dbraw/zinc/19/82/32/606198232.db2.gz OSYFMKVCHVNSBO-UHFFFAOYSA-N -1 1 378.400 0.846 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000823601043 606241542 /nfs/dbraw/zinc/24/15/42/606241542.db2.gz OOMXBNWRCOPELD-ZDUSSCGKSA-N -1 1 394.457 0.610 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000823601043 606241544 /nfs/dbraw/zinc/24/15/44/606241544.db2.gz OOMXBNWRCOPELD-ZDUSSCGKSA-N -1 1 394.457 0.610 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](O)COCC(C)C)cc1-c1nn[n-]n1 ZINC000821978400 606291665 /nfs/dbraw/zinc/29/16/65/606291665.db2.gz MDNQFZMXPOGNMD-VIFPVBQESA-N -1 1 382.446 0.453 20 0 GCADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822964463 606293573 /nfs/dbraw/zinc/29/35/73/606293573.db2.gz JIIQVLRVYZXMSE-UHFFFAOYSA-N -1 1 385.384 0.766 20 0 GCADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822991889 606294469 /nfs/dbraw/zinc/29/44/69/606294469.db2.gz IBJJISLZDPURTN-UHFFFAOYSA-N -1 1 385.384 0.766 20 0 GCADMM C[C@]1(C2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613296 606301584 /nfs/dbraw/zinc/30/15/84/606301584.db2.gz ZHYVUAJCQPYPAU-GOSISDBHSA-N -1 1 393.411 0.624 20 0 GCADMM C[C@]1(C2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613296 606301586 /nfs/dbraw/zinc/30/15/86/606301586.db2.gz ZHYVUAJCQPYPAU-GOSISDBHSA-N -1 1 393.411 0.624 20 0 GCADMM CCC[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)c1nn[n-]n1 ZINC000821020537 606304809 /nfs/dbraw/zinc/30/48/09/606304809.db2.gz DHVNEWXORGXWRW-LBPRGKRZSA-N -1 1 394.403 0.419 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN(C3CC3)C(=O)C2)cc1-c1nn[n-]n1 ZINC000821970249 606310989 /nfs/dbraw/zinc/31/09/89/606310989.db2.gz MJEKFMVKPBHEID-UHFFFAOYSA-N -1 1 375.414 0.136 20 0 GCADMM CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=S)N1 ZINC000820636303 606395240 /nfs/dbraw/zinc/39/52/40/606395240.db2.gz REKAHCYJHPWZRT-LBPRGKRZSA-N -1 1 391.482 0.580 20 0 GCADMM CC[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)Oc1ccccc1C ZINC000820908100 606427202 /nfs/dbraw/zinc/42/72/02/606427202.db2.gz JGHUGNNGSAUUEP-LBPRGKRZSA-N -1 1 385.428 0.842 20 0 GCADMM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000821653822 606433853 /nfs/dbraw/zinc/43/38/53/606433853.db2.gz MCALXHCHVOCBNM-CYBMUJFWSA-N -1 1 389.796 0.796 20 0 GCADMM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821653822 606433854 /nfs/dbraw/zinc/43/38/54/606433854.db2.gz MCALXHCHVOCBNM-CYBMUJFWSA-N -1 1 389.796 0.796 20 0 GCADMM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821653465 606433972 /nfs/dbraw/zinc/43/39/72/606433972.db2.gz BXSPAAFWENRGRP-CYBMUJFWSA-N -1 1 389.796 0.796 20 0 GCADMM C[C@@]1([C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607198 606434046 /nfs/dbraw/zinc/43/40/46/606434046.db2.gz MFVJSXNNFKRIHA-YPMLDQLKSA-N -1 1 393.411 0.624 20 0 GCADMM C[C@@]1([C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607198 606434048 /nfs/dbraw/zinc/43/40/48/606434048.db2.gz MFVJSXNNFKRIHA-YPMLDQLKSA-N -1 1 393.411 0.624 20 0 GCADMM O=C1CC2(CN1)CCN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000823525250 606434618 /nfs/dbraw/zinc/43/46/18/606434618.db2.gz IVRUTIQYWWWTTI-UHFFFAOYSA-N -1 1 380.405 0.297 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000822005031 606435060 /nfs/dbraw/zinc/43/50/60/606435060.db2.gz NLEPWMQQYGSUJJ-OLZOCXBDSA-N -1 1 387.444 0.677 20 0 GCADMM CCNC(=O)C1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000821276858 606438586 /nfs/dbraw/zinc/43/85/86/606438586.db2.gz OFQZRQOKFBBHDG-UHFFFAOYSA-N -1 1 397.443 0.053 20 0 GCADMM CCNC(=O)C1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000821276858 606438588 /nfs/dbraw/zinc/43/85/88/606438588.db2.gz OFQZRQOKFBBHDG-UHFFFAOYSA-N -1 1 397.443 0.053 20 0 GCADMM COCCNC(=O)Cn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000821691044 606468704 /nfs/dbraw/zinc/46/87/04/606468704.db2.gz GKHKYAOWHMGNFR-UHFFFAOYSA-N -1 1 377.796 0.618 20 0 GCADMM COCCNC(=O)Cn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000821691044 606468706 /nfs/dbraw/zinc/46/87/06/606468706.db2.gz GKHKYAOWHMGNFR-UHFFFAOYSA-N -1 1 377.796 0.618 20 0 GCADMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820768253 606472684 /nfs/dbraw/zinc/47/26/84/606472684.db2.gz LZMYNWCYSKARAZ-CMPLNLGQSA-N -1 1 388.457 0.892 20 0 GCADMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820768253 606472686 /nfs/dbraw/zinc/47/26/86/606472686.db2.gz LZMYNWCYSKARAZ-CMPLNLGQSA-N -1 1 388.457 0.892 20 0 GCADMM CN(Cc1ccc([S@@](C)=O)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821610982 606484629 /nfs/dbraw/zinc/48/46/29/606484629.db2.gz MPPVLFAFVCVKOX-RUZDIDTESA-N -1 1 392.466 0.820 20 0 GCADMM CN(Cc1ccc([S@@](C)=O)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821610982 606484631 /nfs/dbraw/zinc/48/46/31/606484631.db2.gz MPPVLFAFVCVKOX-RUZDIDTESA-N -1 1 392.466 0.820 20 0 GCADMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822266963 606501503 /nfs/dbraw/zinc/50/15/03/606501503.db2.gz LHVGYHCAAVGACI-UHFFFAOYSA-N -1 1 392.466 0.945 20 0 GCADMM Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822266963 606501505 /nfs/dbraw/zinc/50/15/05/606501505.db2.gz LHVGYHCAAVGACI-UHFFFAOYSA-N -1 1 392.466 0.945 20 0 GCADMM CS(=O)(=O)c1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2ccccn21 ZINC000821942150 606518503 /nfs/dbraw/zinc/51/85/03/606518503.db2.gz LUEDAWXVEKTZGC-UHFFFAOYSA-N -1 1 399.392 0.670 20 0 GCADMM CS(=O)(=O)c1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2ccccn21 ZINC000821942150 606518505 /nfs/dbraw/zinc/51/85/05/606518505.db2.gz LUEDAWXVEKTZGC-UHFFFAOYSA-N -1 1 399.392 0.670 20 0 GCADMM COC(=O)C[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000821660048 606521024 /nfs/dbraw/zinc/52/10/24/606521024.db2.gz DNSHMLHWXRKMJY-ZYHUDNBSSA-N -1 1 392.416 0.667 20 0 GCADMM CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821175874 606521055 /nfs/dbraw/zinc/52/10/55/606521055.db2.gz XSYVASGUKMYTNS-UHFFFAOYSA-N -1 1 377.474 0.554 20 0 GCADMM CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821175874 606521053 /nfs/dbraw/zinc/52/10/53/606521053.db2.gz XSYVASGUKMYTNS-UHFFFAOYSA-N -1 1 377.474 0.554 20 0 GCADMM COC(=O)C[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000821660045 606521111 /nfs/dbraw/zinc/52/11/11/606521111.db2.gz DNSHMLHWXRKMJY-CMPLNLGQSA-N -1 1 392.416 0.667 20 0 GCADMM COC(=O)C[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000821660047 606521134 /nfs/dbraw/zinc/52/11/34/606521134.db2.gz DNSHMLHWXRKMJY-PWSUYJOCSA-N -1 1 392.416 0.667 20 0 GCADMM Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822709926 606521442 /nfs/dbraw/zinc/52/14/42/606521442.db2.gz RYFZPHZSTVQMIO-UHFFFAOYSA-N -1 1 396.440 0.567 20 0 GCADMM COC(=O)[C@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000821640521 606522317 /nfs/dbraw/zinc/52/23/17/606522317.db2.gz KBLKBCRIWGINRN-OAHLLOKOSA-N -1 1 398.427 0.527 20 0 GCADMM COC(=O)[C@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000821640521 606522319 /nfs/dbraw/zinc/52/23/19/606522319.db2.gz KBLKBCRIWGINRN-OAHLLOKOSA-N -1 1 398.427 0.527 20 0 GCADMM NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822869006 606527267 /nfs/dbraw/zinc/52/72/67/606527267.db2.gz LHJZBCOAIDVVAD-UHFFFAOYSA-N -1 1 385.409 0.073 20 0 GCADMM NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822869006 606527269 /nfs/dbraw/zinc/52/72/69/606527269.db2.gz LHJZBCOAIDVVAD-UHFFFAOYSA-N -1 1 385.409 0.073 20 0 GCADMM O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823170562 606531819 /nfs/dbraw/zinc/53/18/19/606531819.db2.gz DWHGDPGEOJBMHR-OAHLLOKOSA-N -1 1 380.499 0.866 20 0 GCADMM O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823170562 606531821 /nfs/dbraw/zinc/53/18/21/606531821.db2.gz DWHGDPGEOJBMHR-OAHLLOKOSA-N -1 1 380.499 0.866 20 0 GCADMM CCOc1ccccc1N1C[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1=O ZINC000821437580 606532197 /nfs/dbraw/zinc/53/21/97/606532197.db2.gz PPKNNPXWPNPYBU-JTQLQIEISA-N -1 1 382.384 0.980 20 0 GCADMM CCOc1ccccc1N1C[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1=O ZINC000821437580 606532199 /nfs/dbraw/zinc/53/21/99/606532199.db2.gz PPKNNPXWPNPYBU-JTQLQIEISA-N -1 1 382.384 0.980 20 0 GCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000823289099 606532561 /nfs/dbraw/zinc/53/25/61/606532561.db2.gz BFRPKKUOMSKQJY-VIFPVBQESA-N -1 1 396.367 0.353 20 0 GCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000823289099 606532562 /nfs/dbraw/zinc/53/25/62/606532562.db2.gz BFRPKKUOMSKQJY-VIFPVBQESA-N -1 1 396.367 0.353 20 0 GCADMM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821690909 606534792 /nfs/dbraw/zinc/53/47/92/606534792.db2.gz AYPYNDOXAWCEDG-QWRGUYRKSA-N -1 1 378.458 0.932 20 0 GCADMM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821690909 606534794 /nfs/dbraw/zinc/53/47/94/606534794.db2.gz AYPYNDOXAWCEDG-QWRGUYRKSA-N -1 1 378.458 0.932 20 0 GCADMM CS(=O)(=O)CCN1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821927113 606556706 /nfs/dbraw/zinc/55/67/06/606556706.db2.gz PPMJYPGDEPUAMY-UHFFFAOYSA-N -1 1 384.487 0.167 20 0 GCADMM NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC000822899817 606565859 /nfs/dbraw/zinc/56/58/59/606565859.db2.gz UKJJLSJKGJLAGD-UHFFFAOYSA-N -1 1 376.423 0.779 20 0 GCADMM NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC000822899817 606565861 /nfs/dbraw/zinc/56/58/61/606565861.db2.gz UKJJLSJKGJLAGD-UHFFFAOYSA-N -1 1 376.423 0.779 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1-c1nn[n-]n1 ZINC000821977318 606585053 /nfs/dbraw/zinc/58/50/53/606585053.db2.gz FOZJJHVWRWAWIY-QMMMGPOBSA-N -1 1 391.457 0.818 20 0 GCADMM O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823166902 606591966 /nfs/dbraw/zinc/59/19/66/606591966.db2.gz SHIXMMMFUQJLGW-VIFPVBQESA-N -1 1 389.393 0.827 20 0 GCADMM O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823166902 606591967 /nfs/dbraw/zinc/59/19/67/606591967.db2.gz SHIXMMMFUQJLGW-VIFPVBQESA-N -1 1 389.393 0.827 20 0 GCADMM CCOCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000821384518 606607671 /nfs/dbraw/zinc/60/76/71/606607671.db2.gz YJDZNKZKTBZJHO-UHFFFAOYSA-N -1 1 376.804 0.988 20 0 GCADMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822549044 606608387 /nfs/dbraw/zinc/60/83/87/606608387.db2.gz SXCDUYVYLDVUEZ-UHFFFAOYSA-N -1 1 392.397 0.976 20 0 GCADMM CCOCCNC(=O)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821384101 606615544 /nfs/dbraw/zinc/61/55/44/606615544.db2.gz PHCSPTWCZXNPFF-UHFFFAOYSA-N -1 1 392.416 0.213 20 0 GCADMM COC(=O)C[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CC1 ZINC000821657780 606626260 /nfs/dbraw/zinc/62/62/60/606626260.db2.gz WGCRJRWEMHJAPE-CYBMUJFWSA-N -1 1 388.428 0.975 20 0 GCADMM O=Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)[nH]1 ZINC000823556861 606627013 /nfs/dbraw/zinc/62/70/13/606627013.db2.gz AYPANTROMUPHHH-UHFFFAOYSA-N -1 1 382.384 0.835 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821139078 606647088 /nfs/dbraw/zinc/64/70/88/606647088.db2.gz NFIMFBFJFXZRTA-CQSZACIVSA-N -1 1 394.457 0.899 20 0 GCADMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821139078 606647089 /nfs/dbraw/zinc/64/70/89/606647089.db2.gz NFIMFBFJFXZRTA-CQSZACIVSA-N -1 1 394.457 0.899 20 0 GCADMM O=C(Cn1cc(Br)ccc1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823118547 606647678 /nfs/dbraw/zinc/64/76/78/606647678.db2.gz DZEATISGWDNBIE-UHFFFAOYSA-N -1 1 391.185 0.929 20 0 GCADMM O=C(Cn1cc(Br)ccc1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823118547 606647679 /nfs/dbraw/zinc/64/76/79/606647679.db2.gz DZEATISGWDNBIE-UHFFFAOYSA-N -1 1 391.185 0.929 20 0 GCADMM NC(=O)c1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000822880669 606649038 /nfs/dbraw/zinc/64/90/38/606649038.db2.gz XXUGWXRGHXWONG-UHFFFAOYSA-N -1 1 390.363 0.903 20 0 GCADMM NC(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000822880669 606649039 /nfs/dbraw/zinc/64/90/39/606649039.db2.gz XXUGWXRGHXWONG-UHFFFAOYSA-N -1 1 390.363 0.903 20 0 GCADMM Cc1ccc2c(c1)C(=O)N(CC(=O)OCc1ccnc(-c3nnn[n-]3)c1)C2=O ZINC000822274554 606652226 /nfs/dbraw/zinc/65/22/26/606652226.db2.gz AWLNCJOEVSCPIV-UHFFFAOYSA-N -1 1 378.348 0.910 20 0 GCADMM Cc1ccc2c(c1)C(=O)N(CC(=O)OCc1ccnc(-c3nn[n-]n3)c1)C2=O ZINC000822274554 606652227 /nfs/dbraw/zinc/65/22/27/606652227.db2.gz AWLNCJOEVSCPIV-UHFFFAOYSA-N -1 1 378.348 0.910 20 0 GCADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964368 606652917 /nfs/dbraw/zinc/65/29/17/606652917.db2.gz HIOZGACWWCYNJC-BETUJISGSA-N -1 1 384.396 0.870 20 0 GCADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964368 606652918 /nfs/dbraw/zinc/65/29/18/606652918.db2.gz HIOZGACWWCYNJC-BETUJISGSA-N -1 1 384.396 0.870 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@@H](O)C1CC1 ZINC000822458659 606690541 /nfs/dbraw/zinc/69/05/41/606690541.db2.gz HYENBCQVTGTGEO-OAHLLOKOSA-N -1 1 384.444 0.688 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@@H](O)C1CC1 ZINC000822458659 606690542 /nfs/dbraw/zinc/69/05/42/606690542.db2.gz HYENBCQVTGTGEO-OAHLLOKOSA-N -1 1 384.444 0.688 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](Nc3ccccc3)C2)n(C)c1=O ZINC000822601117 606724631 /nfs/dbraw/zinc/72/46/31/606724631.db2.gz UFOSFTWPMGIRPD-CYBMUJFWSA-N -1 1 382.428 0.345 20 0 GCADMM O=S(=O)(NCCOc1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578322 606738536 /nfs/dbraw/zinc/73/85/36/606738536.db2.gz MABHIRJXVXQGKW-UHFFFAOYSA-N -1 1 381.805 0.667 20 0 GCADMM O=S(=O)(NCCOc1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578322 606738537 /nfs/dbraw/zinc/73/85/37/606738537.db2.gz MABHIRJXVXQGKW-UHFFFAOYSA-N -1 1 381.805 0.667 20 0 GCADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc2ccccn21 ZINC000820028494 606738976 /nfs/dbraw/zinc/73/89/76/606738976.db2.gz ZVZLIMPNMLHGQW-CQSZACIVSA-N -1 1 399.440 0.980 20 0 GCADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc2ccccn21 ZINC000820028494 606738977 /nfs/dbraw/zinc/73/89/77/606738977.db2.gz ZVZLIMPNMLHGQW-CQSZACIVSA-N -1 1 399.440 0.980 20 0 GCADMM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821509943 606744745 /nfs/dbraw/zinc/74/47/45/606744745.db2.gz QGQIZUMQRZEEAE-LLVKDONJSA-N -1 1 375.418 0.229 20 0 GCADMM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821509943 606744748 /nfs/dbraw/zinc/74/47/48/606744748.db2.gz QGQIZUMQRZEEAE-LLVKDONJSA-N -1 1 375.418 0.229 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000822005837 606752093 /nfs/dbraw/zinc/75/20/93/606752093.db2.gz UHPVPFAEPZAXGK-KGLIPLIRSA-N -1 1 387.444 0.058 20 0 GCADMM Nc1n[nH]c(CCCNc2ccc3nnc(C(F)F)n3n2)c1-c1nnn[n-]1 ZINC000822899727 606757386 /nfs/dbraw/zinc/75/73/86/606757386.db2.gz QRTXYUAMZBHQBT-UHFFFAOYSA-N -1 1 376.335 0.592 20 0 GCADMM Nc1n[nH]c(CCCNc2ccc3nnc(C(F)F)n3n2)c1-c1nn[n-]n1 ZINC000822899727 606757388 /nfs/dbraw/zinc/75/73/88/606757388.db2.gz QRTXYUAMZBHQBT-UHFFFAOYSA-N -1 1 376.335 0.592 20 0 GCADMM C[C@H](Cn1ccnc1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820307871 606762734 /nfs/dbraw/zinc/76/27/34/606762734.db2.gz QHNVEZTWTMKZGY-CHWSQXEVSA-N -1 1 397.447 0.162 20 0 GCADMM C[C@H](Cn1ccnc1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820307871 606762737 /nfs/dbraw/zinc/76/27/37/606762737.db2.gz QHNVEZTWTMKZGY-CHWSQXEVSA-N -1 1 397.447 0.162 20 0 GCADMM CCOCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821383929 606764921 /nfs/dbraw/zinc/76/49/21/606764921.db2.gz LYWXFPMKRZKNHN-LLVKDONJSA-N -1 1 377.478 0.078 20 0 GCADMM CCOCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821383929 606764923 /nfs/dbraw/zinc/76/49/23/606764923.db2.gz LYWXFPMKRZKNHN-LLVKDONJSA-N -1 1 377.478 0.078 20 0 GCADMM COC[C@H](C)NC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821683027 606765484 /nfs/dbraw/zinc/76/54/84/606765484.db2.gz TZJWSZAWKWDVRW-WDEREUQCSA-N -1 1 377.478 0.077 20 0 GCADMM COC[C@H](C)NC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821683027 606765486 /nfs/dbraw/zinc/76/54/86/606765486.db2.gz TZJWSZAWKWDVRW-WDEREUQCSA-N -1 1 377.478 0.077 20 0 GCADMM COc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000821831629 606767942 /nfs/dbraw/zinc/76/79/42/606767942.db2.gz GRMXTLVCXHOQRS-NSHDSACASA-N -1 1 396.415 0.803 20 0 GCADMM COc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000821831629 606767944 /nfs/dbraw/zinc/76/79/44/606767944.db2.gz GRMXTLVCXHOQRS-NSHDSACASA-N -1 1 396.415 0.803 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n(C)n1 ZINC000822208364 606768686 /nfs/dbraw/zinc/76/86/86/606768686.db2.gz OOCWGBDTDXDZFV-NSHDSACASA-N -1 1 383.420 0.441 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n(C)n1 ZINC000822208364 606768687 /nfs/dbraw/zinc/76/86/87/606768687.db2.gz OOCWGBDTDXDZFV-NSHDSACASA-N -1 1 383.420 0.441 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1ncsc1=S ZINC000820803950 606769232 /nfs/dbraw/zinc/76/92/32/606769232.db2.gz KCTBBIDHPHFYJO-VIFPVBQESA-N -1 1 376.475 0.812 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1ncsc1=S ZINC000820803950 606769233 /nfs/dbraw/zinc/76/92/33/606769233.db2.gz KCTBBIDHPHFYJO-VIFPVBQESA-N -1 1 376.475 0.812 20 0 GCADMM CCC[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000821034840 606769354 /nfs/dbraw/zinc/76/93/54/606769354.db2.gz VHZGOUNDXXEVGR-ZIAGYGMSSA-N -1 1 385.476 0.773 20 0 GCADMM CCC[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000821034840 606769355 /nfs/dbraw/zinc/76/93/55/606769355.db2.gz VHZGOUNDXXEVGR-ZIAGYGMSSA-N -1 1 385.476 0.773 20 0 GCADMM CCn1cnn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1=S ZINC000821566778 606769496 /nfs/dbraw/zinc/76/94/96/606769496.db2.gz SWFLFDCVMHCXGP-NSHDSACASA-N -1 1 387.477 0.572 20 0 GCADMM CCn1cnn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1=S ZINC000821566778 606769497 /nfs/dbraw/zinc/76/94/97/606769497.db2.gz SWFLFDCVMHCXGP-NSHDSACASA-N -1 1 387.477 0.572 20 0 GCADMM Cc1oc(NC(=O)CN2CCO[C@H]([C@H]3CCCO3)C2)c(-c2nn[n-]n2)c1C ZINC000822548999 606771248 /nfs/dbraw/zinc/77/12/48/606771248.db2.gz REPOCVXIMDZZQM-OLZOCXBDSA-N -1 1 376.417 0.895 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)c1ccccc1 ZINC000820788322 606777884 /nfs/dbraw/zinc/77/78/84/606777884.db2.gz DJHFESFAAVCDGI-CQSZACIVSA-N -1 1 393.455 0.830 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)c1ccccc1 ZINC000820788322 606777885 /nfs/dbraw/zinc/77/78/85/606777885.db2.gz DJHFESFAAVCDGI-CQSZACIVSA-N -1 1 393.455 0.830 20 0 GCADMM CC(C)N(C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000820788870 606780074 /nfs/dbraw/zinc/78/00/74/606780074.db2.gz QAAJNXOMXSWWPL-CQSZACIVSA-N -1 1 387.492 0.813 20 0 GCADMM CC(C)N(C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000820788870 606780076 /nfs/dbraw/zinc/78/00/76/606780076.db2.gz QAAJNXOMXSWWPL-CQSZACIVSA-N -1 1 387.492 0.813 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc2ccnn2c1 ZINC000820803552 606782364 /nfs/dbraw/zinc/78/23/64/606782364.db2.gz CABIYRGYMTWCSK-LBPRGKRZSA-N -1 1 377.416 0.410 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc2ccnn2c1 ZINC000820803552 606782366 /nfs/dbraw/zinc/78/23/66/606782366.db2.gz CABIYRGYMTWCSK-LBPRGKRZSA-N -1 1 377.416 0.410 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)Nc1ccccc1F ZINC000820788660 606782507 /nfs/dbraw/zinc/78/25/07/606782507.db2.gz LQEGNIXTKBCSPO-LBPRGKRZSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)Nc1ccccc1F ZINC000820788660 606782508 /nfs/dbraw/zinc/78/25/08/606782508.db2.gz LQEGNIXTKBCSPO-LBPRGKRZSA-N -1 1 397.418 0.945 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc(C2CC2)n1C ZINC000820804534 606782822 /nfs/dbraw/zinc/78/28/22/606782822.db2.gz UKMQPKMWOXFHKN-LLVKDONJSA-N -1 1 381.448 0.373 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc(C2CC2)n1C ZINC000820804534 606782824 /nfs/dbraw/zinc/78/28/24/606782824.db2.gz UKMQPKMWOXFHKN-LLVKDONJSA-N -1 1 381.448 0.373 20 0 GCADMM CC[C@@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820979757 606783688 /nfs/dbraw/zinc/78/36/88/606783688.db2.gz JQIFFXRHBGVXSB-LSDHHAIUSA-N -1 1 399.503 0.958 20 0 GCADMM CC[C@@H]1CCCCN1C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820979757 606783689 /nfs/dbraw/zinc/78/36/89/606783689.db2.gz JQIFFXRHBGVXSB-LSDHHAIUSA-N -1 1 399.503 0.958 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnsc1Cl ZINC000820804663 606785673 /nfs/dbraw/zinc/78/56/73/606785673.db2.gz WYLPCHRYKVYYML-MRVPVSSYSA-N -1 1 378.853 0.872 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnsc1Cl ZINC000820804663 606785674 /nfs/dbraw/zinc/78/56/74/606785674.db2.gz WYLPCHRYKVYYML-MRVPVSSYSA-N -1 1 378.853 0.872 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2COc3ccc(Cl)cc32)n(C)c1=O ZINC000822599298 606790137 /nfs/dbraw/zinc/79/01/37/606790137.db2.gz CHLYOFAIJMDMBB-SECBINFHSA-N -1 1 375.776 0.463 20 0 GCADMM COC[C@@H](C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821682012 606791076 /nfs/dbraw/zinc/79/10/76/606791076.db2.gz XYOLCCALCAPNJU-RYUDHWBXSA-N -1 1 375.437 0.159 20 0 GCADMM COC[C@@H](C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821682012 606791078 /nfs/dbraw/zinc/79/10/78/606791078.db2.gz XYOLCCALCAPNJU-RYUDHWBXSA-N -1 1 375.437 0.159 20 0 GCADMM COCCC(=O)COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821685245 606795163 /nfs/dbraw/zinc/79/51/63/606795163.db2.gz YMGCFZVJDNCQNR-UHFFFAOYSA-N -1 1 387.400 0.608 20 0 GCADMM COCCC(=O)COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821685245 606795164 /nfs/dbraw/zinc/79/51/64/606795164.db2.gz YMGCFZVJDNCQNR-UHFFFAOYSA-N -1 1 387.400 0.608 20 0 GCADMM CCC(=O)N1CC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000820837014 606804600 /nfs/dbraw/zinc/80/46/00/606804600.db2.gz GHCYPUKXKRKHRI-GFCCVEGCSA-N -1 1 387.444 0.644 20 0 GCADMM Cc1cccc2nc(CNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)n(C)c21 ZINC000822340829 606814364 /nfs/dbraw/zinc/81/43/64/606814364.db2.gz JVRTUPOOBDDBIH-UHFFFAOYSA-N -1 1 384.425 0.935 20 0 GCADMM Cc1cccc2nc(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)n(C)c21 ZINC000822340829 606814365 /nfs/dbraw/zinc/81/43/65/606814365.db2.gz JVRTUPOOBDDBIH-UHFFFAOYSA-N -1 1 384.425 0.935 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H](O)CC(C)C ZINC000822459543 606815837 /nfs/dbraw/zinc/81/58/37/606815837.db2.gz RIOQGZJSHZFSPP-ZDUSSCGKSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H](O)CC(C)C ZINC000822459543 606815838 /nfs/dbraw/zinc/81/58/38/606815838.db2.gz RIOQGZJSHZFSPP-ZDUSSCGKSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822486644 606819090 /nfs/dbraw/zinc/81/90/90/606819090.db2.gz RGMQXYJRSBPANV-NSHDSACASA-N -1 1 396.459 0.287 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822486644 606819092 /nfs/dbraw/zinc/81/90/92/606819092.db2.gz RGMQXYJRSBPANV-NSHDSACASA-N -1 1 396.459 0.287 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822414816 606820617 /nfs/dbraw/zinc/82/06/17/606820617.db2.gz VZSHHHCFRHWKAG-JTQLQIEISA-N -1 1 382.432 0.276 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822414816 606820618 /nfs/dbraw/zinc/82/06/18/606820618.db2.gz VZSHHHCFRHWKAG-JTQLQIEISA-N -1 1 382.432 0.276 20 0 GCADMM Cc1noc(CCCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822528114 606820670 /nfs/dbraw/zinc/82/06/70/606820670.db2.gz SRVGAAAIKSQJIV-LLVKDONJSA-N -1 1 398.431 0.408 20 0 GCADMM Cc1noc(CCCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822528114 606820672 /nfs/dbraw/zinc/82/06/72/606820672.db2.gz SRVGAAAIKSQJIV-LLVKDONJSA-N -1 1 398.431 0.408 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000820775376 606821159 /nfs/dbraw/zinc/82/11/59/606821159.db2.gz HTFBMYRTLGQRIX-WFASDCNBSA-N -1 1 392.423 0.698 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000820775376 606821160 /nfs/dbraw/zinc/82/11/60/606821160.db2.gz HTFBMYRTLGQRIX-WFASDCNBSA-N -1 1 392.423 0.698 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1nccs1 ZINC000820777177 606821891 /nfs/dbraw/zinc/82/18/91/606821891.db2.gz QCGPOOFDUUPUIE-LLVKDONJSA-N -1 1 385.457 0.783 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1nccs1 ZINC000820777177 606821892 /nfs/dbraw/zinc/82/18/92/606821892.db2.gz QCGPOOFDUUPUIE-LLVKDONJSA-N -1 1 385.457 0.783 20 0 GCADMM Cc1nc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000822436431 606822449 /nfs/dbraw/zinc/82/24/49/606822449.db2.gz MBYNNMZWLWNPNG-SNVBAGLBSA-N -1 1 385.457 0.701 20 0 GCADMM Cc1nc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000822436431 606822450 /nfs/dbraw/zinc/82/24/50/606822450.db2.gz MBYNNMZWLWNPNG-SNVBAGLBSA-N -1 1 385.457 0.701 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN1CCCCCC1=O ZINC000820774448 606823071 /nfs/dbraw/zinc/82/30/71/606823071.db2.gz CYHVRJDLWBZQRM-ZDUSSCGKSA-N -1 1 399.459 0.096 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN1CCCCCC1=O ZINC000820774448 606823073 /nfs/dbraw/zinc/82/30/73/606823073.db2.gz CYHVRJDLWBZQRM-ZDUSSCGKSA-N -1 1 399.459 0.096 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1COc2ccccc21 ZINC000820776373 606823374 /nfs/dbraw/zinc/82/33/74/606823374.db2.gz LSJCWFCEPXRGSU-TZMCWYRMSA-N -1 1 392.423 0.870 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1COc2ccccc21 ZINC000820776373 606823376 /nfs/dbraw/zinc/82/33/76/606823376.db2.gz LSJCWFCEPXRGSU-TZMCWYRMSA-N -1 1 392.423 0.870 20 0 GCADMM CCOCCO[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821384156 606823776 /nfs/dbraw/zinc/82/37/76/606823776.db2.gz RLDHWWAQQCWPAV-QWHCGFSZSA-N -1 1 390.448 0.135 20 0 GCADMM CCOCCO[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821384156 606823777 /nfs/dbraw/zinc/82/37/77/606823777.db2.gz RLDHWWAQQCWPAV-QWHCGFSZSA-N -1 1 390.448 0.135 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nn1C ZINC000820187552 606824563 /nfs/dbraw/zinc/82/45/63/606824563.db2.gz GXBMSIBTRGBLLU-LBPRGKRZSA-N -1 1 396.459 0.865 20 0 GCADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nn1C ZINC000820187552 606824565 /nfs/dbraw/zinc/82/45/65/606824565.db2.gz GXBMSIBTRGBLLU-LBPRGKRZSA-N -1 1 396.459 0.865 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000823123295 606825887 /nfs/dbraw/zinc/82/58/87/606825887.db2.gz WKSCNPOZMFBPIJ-UHFFFAOYSA-N -1 1 393.407 0.472 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)/C=C\C1CCOCC1 ZINC000820777121 606831272 /nfs/dbraw/zinc/83/12/72/606831272.db2.gz PIUFZIKCMCUHBE-XQJDBVBESA-N -1 1 384.444 0.677 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)/C=C\C1CCOCC1 ZINC000820777121 606831273 /nfs/dbraw/zinc/83/12/73/606831273.db2.gz PIUFZIKCMCUHBE-XQJDBVBESA-N -1 1 384.444 0.677 20 0 GCADMM CCNC(=O)CCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821286402 606831453 /nfs/dbraw/zinc/83/14/53/606831453.db2.gz RRUYCNSTDDGEMP-LBPRGKRZSA-N -1 1 387.448 0.000 20 0 GCADMM CCNC(=O)CCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821286402 606831455 /nfs/dbraw/zinc/83/14/55/606831455.db2.gz RRUYCNSTDDGEMP-LBPRGKRZSA-N -1 1 387.448 0.000 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(N)=O)cs1 ZINC000820789229 606831578 /nfs/dbraw/zinc/83/15/78/606831578.db2.gz YJSYAYMKCUEZTN-SECBINFHSA-N -1 1 399.440 0.168 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(N)=O)cs1 ZINC000820789229 606831580 /nfs/dbraw/zinc/83/15/80/606831580.db2.gz YJSYAYMKCUEZTN-SECBINFHSA-N -1 1 399.440 0.168 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)/C=C/C1CCOCC1 ZINC000820777122 606831616 /nfs/dbraw/zinc/83/16/16/606831616.db2.gz PIUFZIKCMCUHBE-YWVDXFKGSA-N -1 1 384.444 0.677 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)/C=C/C1CCOCC1 ZINC000820777122 606831617 /nfs/dbraw/zinc/83/16/17/606831617.db2.gz PIUFZIKCMCUHBE-YWVDXFKGSA-N -1 1 384.444 0.677 20 0 GCADMM CCc1nnsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821554946 606832067 /nfs/dbraw/zinc/83/20/67/606832067.db2.gz VYUBEZVYZVLOPL-SECBINFHSA-N -1 1 386.445 0.422 20 0 GCADMM CCc1nnsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821554946 606832069 /nfs/dbraw/zinc/83/20/69/606832069.db2.gz VYUBEZVYZVLOPL-SECBINFHSA-N -1 1 386.445 0.422 20 0 GCADMM Cc1cccnc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822369287 606833780 /nfs/dbraw/zinc/83/37/80/606833780.db2.gz FPAPJALZOOBAOA-CYBMUJFWSA-N -1 1 394.443 0.780 20 0 GCADMM Cc1cccnc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822369287 606833781 /nfs/dbraw/zinc/83/37/81/606833781.db2.gz FPAPJALZOOBAOA-CYBMUJFWSA-N -1 1 394.443 0.780 20 0 GCADMM COc1ccccc1N1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1=O ZINC000821896822 606836118 /nfs/dbraw/zinc/83/61/18/606836118.db2.gz BYYNDPKTJHRRLX-NSHDSACASA-N -1 1 397.399 0.536 20 0 GCADMM COc1ccccc1N1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1=O ZINC000821896822 606836120 /nfs/dbraw/zinc/83/61/20/606836120.db2.gz BYYNDPKTJHRRLX-NSHDSACASA-N -1 1 397.399 0.536 20 0 GCADMM CCc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000821471017 606836410 /nfs/dbraw/zinc/83/64/10/606836410.db2.gz UWSRUKOIUDWAAQ-JTQLQIEISA-N -1 1 384.404 0.950 20 0 GCADMM CCc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000821471017 606836411 /nfs/dbraw/zinc/83/64/11/606836411.db2.gz UWSRUKOIUDWAAQ-JTQLQIEISA-N -1 1 384.404 0.950 20 0 GCADMM CCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821325577 606840438 /nfs/dbraw/zinc/84/04/38/606840438.db2.gz GREKCAXWIOPKLV-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822912421 606841513 /nfs/dbraw/zinc/84/15/13/606841513.db2.gz ZKRAMJGHPYMNRB-UHFFFAOYSA-N -1 1 380.405 0.249 20 0 GCADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819883300 606843374 /nfs/dbraw/zinc/84/33/74/606843374.db2.gz GULSUOARPGPLJJ-IUCAKERBSA-N -1 1 391.450 0.448 20 0 GCADMM COCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000821691500 606843999 /nfs/dbraw/zinc/84/39/99/606843999.db2.gz WVKJSPOLTYHLQB-LLVKDONJSA-N -1 1 384.437 0.347 20 0 GCADMM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821113828 606844066 /nfs/dbraw/zinc/84/40/66/606844066.db2.gz FFVQRNIUGKMZDK-NSHDSACASA-N -1 1 396.448 0.933 20 0 GCADMM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822865118 606844500 /nfs/dbraw/zinc/84/45/00/606844500.db2.gz VUSMGJUAOIHNJE-JTQLQIEISA-N -1 1 382.421 0.672 20 0 GCADMM Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)cn1 ZINC000822674117 606844688 /nfs/dbraw/zinc/84/46/88/606844688.db2.gz LPNAVEKNKXXASV-SNVBAGLBSA-N -1 1 377.405 0.918 20 0 GCADMM CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821597946 606845118 /nfs/dbraw/zinc/84/51/18/606845118.db2.gz LYEGQBXZIMRPRW-SECBINFHSA-N -1 1 389.434 0.061 20 0 GCADMM Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)cn1 ZINC000822674200 606845606 /nfs/dbraw/zinc/84/56/06/606845606.db2.gz NJVZFFPAXAPECH-NSHDSACASA-N -1 1 391.432 0.993 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)c1cccs1 ZINC000820804193 606848017 /nfs/dbraw/zinc/84/80/17/606848017.db2.gz NUPJFEKSOVKUPP-SNVBAGLBSA-N -1 1 392.470 0.618 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)c1cccs1 ZINC000820804193 606848018 /nfs/dbraw/zinc/84/80/18/606848018.db2.gz NUPJFEKSOVKUPP-SNVBAGLBSA-N -1 1 392.470 0.618 20 0 GCADMM C[C@@H]1CCCN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820704887 606852744 /nfs/dbraw/zinc/85/27/44/606852744.db2.gz QKZSAMONECLQKE-KGLIPLIRSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@@H]1CCCN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820704887 606852746 /nfs/dbraw/zinc/85/27/46/606852746.db2.gz QKZSAMONECLQKE-KGLIPLIRSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@H]1CCCN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820704883 606852867 /nfs/dbraw/zinc/85/28/67/606852867.db2.gz QKZSAMONECLQKE-KBPBESRZSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@H]1CCCN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820704883 606852868 /nfs/dbraw/zinc/85/28/68/606852868.db2.gz QKZSAMONECLQKE-KBPBESRZSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCC[C@H](C)C1 ZINC000820704890 606853084 /nfs/dbraw/zinc/85/30/84/606853084.db2.gz QKZSAMONECLQKE-UONOGXRCSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCC[C@H](C)C1 ZINC000820704890 606853085 /nfs/dbraw/zinc/85/30/85/606853085.db2.gz QKZSAMONECLQKE-UONOGXRCSA-N -1 1 385.476 0.426 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820206538 606854617 /nfs/dbraw/zinc/85/46/17/606854617.db2.gz PCRNSKDJAYNYFZ-GFCCVEGCSA-N -1 1 396.459 0.865 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820206538 606854619 /nfs/dbraw/zinc/85/46/19/606854619.db2.gz PCRNSKDJAYNYFZ-GFCCVEGCSA-N -1 1 396.459 0.865 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccnc1N(C)C ZINC000820788398 606854834 /nfs/dbraw/zinc/85/48/34/606854834.db2.gz GEVGIFBVFYYSHH-LBPRGKRZSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccnc1N(C)C ZINC000820788398 606854835 /nfs/dbraw/zinc/85/48/35/606854835.db2.gz GEVGIFBVFYYSHH-LBPRGKRZSA-N -1 1 394.443 0.469 20 0 GCADMM CCOc1ncccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821436947 606855531 /nfs/dbraw/zinc/85/55/31/606855531.db2.gz HXEWLQWCEJNYOL-LBPRGKRZSA-N -1 1 395.427 0.801 20 0 GCADMM CCOc1ncccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821436947 606855532 /nfs/dbraw/zinc/85/55/32/606855532.db2.gz HXEWLQWCEJNYOL-LBPRGKRZSA-N -1 1 395.427 0.801 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000819796323 606872544 /nfs/dbraw/zinc/87/25/44/606872544.db2.gz FALOJYJALKRPPH-SECBINFHSA-N -1 1 384.849 0.761 20 0 GCADMM CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000819796323 606872546 /nfs/dbraw/zinc/87/25/46/606872546.db2.gz FALOJYJALKRPPH-SECBINFHSA-N -1 1 384.849 0.761 20 0 GCADMM O=C1CCCCN1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823524989 606875888 /nfs/dbraw/zinc/87/58/88/606875888.db2.gz DPGBHRPHBXYHCU-UHFFFAOYSA-N -1 1 391.457 0.427 20 0 GCADMM O=C1CCCCN1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823524989 606875889 /nfs/dbraw/zinc/87/58/89/606875889.db2.gz DPGBHRPHBXYHCU-UHFFFAOYSA-N -1 1 391.457 0.427 20 0 GCADMM CO[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1Cl ZINC000821677343 606880177 /nfs/dbraw/zinc/88/01/77/606880177.db2.gz UYBKEBRQATULHG-LLVKDONJSA-N -1 1 391.819 0.717 20 0 GCADMM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000822496698 606914580 /nfs/dbraw/zinc/91/45/80/606914580.db2.gz SRBSURRUDRIMNB-UHFFFAOYSA-N -1 1 379.377 0.635 20 0 GCADMM COC(=O)C[C@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821657814 606924239 /nfs/dbraw/zinc/92/42/39/606924239.db2.gz WTAAZLBYKNIDIW-JTQLQIEISA-N -1 1 389.416 0.580 20 0 GCADMM COC(=O)C[C@@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821657815 606924521 /nfs/dbraw/zinc/92/45/21/606924521.db2.gz WTAAZLBYKNIDIW-SNVBAGLBSA-N -1 1 389.416 0.580 20 0 GCADMM CC(=O)N1CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)[C@H](C)C1 ZINC000819796457 606933069 /nfs/dbraw/zinc/93/30/69/606933069.db2.gz JDWZOVCEGYTYQW-SNVBAGLBSA-N -1 1 387.444 0.596 20 0 GCADMM CC(=O)N1CC[C@H](COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000819788090 606952364 /nfs/dbraw/zinc/95/23/64/606952364.db2.gz ARJNIIWWDLPTPE-ZDUSSCGKSA-N -1 1 388.428 0.928 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000822610011 606956133 /nfs/dbraw/zinc/95/61/33/606956133.db2.gz YXPNKANNXQDPFD-PWSUYJOCSA-N -1 1 388.388 0.550 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000822610011 606956135 /nfs/dbraw/zinc/95/61/35/606956135.db2.gz YXPNKANNXQDPFD-PWSUYJOCSA-N -1 1 388.388 0.550 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCc1ccon1 ZINC000820789057 606978161 /nfs/dbraw/zinc/97/81/61/606978161.db2.gz UTHDHTXWJKDUOE-JTQLQIEISA-N -1 1 386.445 0.230 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCc1ccon1 ZINC000820789057 606978162 /nfs/dbraw/zinc/97/81/62/606978162.db2.gz UTHDHTXWJKDUOE-JTQLQIEISA-N -1 1 386.445 0.230 20 0 GCADMM CC(C)S(=O)(=O)CCCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820788729 606980056 /nfs/dbraw/zinc/98/00/56/606980056.db2.gz NCDQBOAQBRWBIZ-CYBMUJFWSA-N -1 1 394.505 0.381 20 0 GCADMM CC(C)S(=O)(=O)CCCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820788729 606980057 /nfs/dbraw/zinc/98/00/57/606980057.db2.gz NCDQBOAQBRWBIZ-CYBMUJFWSA-N -1 1 394.505 0.381 20 0 GCADMM CCc1cc(=O)[nH]c(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000821476948 606980713 /nfs/dbraw/zinc/98/07/13/606980713.db2.gz WCGFYVUQHZVYLP-LLVKDONJSA-N -1 1 382.432 0.425 20 0 GCADMM CCc1cc(=O)[nH]c(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000821476948 606980714 /nfs/dbraw/zinc/98/07/14/606980714.db2.gz WCGFYVUQHZVYLP-LLVKDONJSA-N -1 1 382.432 0.425 20 0 GCADMM O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CN1C1CCCCC1 ZINC000823520374 607008491 /nfs/dbraw/zinc/00/84/91/607008491.db2.gz LYUOWUUWGQKPBE-LLVKDONJSA-N -1 1 391.457 0.474 20 0 GCADMM O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CN1C1CCCCC1 ZINC000823520374 607008493 /nfs/dbraw/zinc/00/84/93/607008493.db2.gz LYUOWUUWGQKPBE-LLVKDONJSA-N -1 1 391.457 0.474 20 0 GCADMM O=C(C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1)N1CC(O)C1 ZINC000822917021 607020324 /nfs/dbraw/zinc/02/03/24/607020324.db2.gz LPECMPOFWLIHPF-UHFFFAOYSA-N -1 1 385.384 0.534 20 0 GCADMM C[C@@]1([C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820612744 607029218 /nfs/dbraw/zinc/02/92/18/607029218.db2.gz IDROVNRSBALBJU-IYQDAUBNSA-N -1 1 382.837 0.791 20 0 GCADMM C[C@@]1([C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820612744 607029220 /nfs/dbraw/zinc/02/92/20/607029220.db2.gz IDROVNRSBALBJU-IYQDAUBNSA-N -1 1 382.837 0.791 20 0 GCADMM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820994876 607063666 /nfs/dbraw/zinc/06/36/66/607063666.db2.gz LKDODPNKMYFHBZ-VHSXEESVSA-N -1 1 384.487 0.718 20 0 GCADMM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820994876 607063668 /nfs/dbraw/zinc/06/36/68/607063668.db2.gz LKDODPNKMYFHBZ-VHSXEESVSA-N -1 1 384.487 0.718 20 0 GCADMM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820925742 607109557 /nfs/dbraw/zinc/10/95/57/607109557.db2.gz LDWJEIKLZJMTAD-JTQLQIEISA-N -1 1 397.428 0.550 20 0 GCADMM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820925742 607109560 /nfs/dbraw/zinc/10/95/60/607109560.db2.gz LDWJEIKLZJMTAD-JTQLQIEISA-N -1 1 397.428 0.550 20 0 GCADMM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H](c2ccsc2)O1 ZINC000820766695 607115750 /nfs/dbraw/zinc/11/57/50/607115750.db2.gz CJACVXIRHKLLPA-KOLCDFICSA-N -1 1 389.441 0.292 20 0 GCADMM Cc1oc(NC(=O)COC(=O)CNC(=O)c2cccnc2)c(-c2nn[n-]n2)c1C ZINC000822549193 607116908 /nfs/dbraw/zinc/11/69/08/607116908.db2.gz VGFZEWSIYMJFLE-UHFFFAOYSA-N -1 1 399.367 0.383 20 0 GCADMM CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)o1 ZINC000821496096 607125808 /nfs/dbraw/zinc/12/58/08/607125808.db2.gz CEFRRZMZLBHRFD-GFCCVEGCSA-N -1 1 383.416 0.835 20 0 GCADMM CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)o1 ZINC000821496096 607125809 /nfs/dbraw/zinc/12/58/09/607125809.db2.gz CEFRRZMZLBHRFD-GFCCVEGCSA-N -1 1 383.416 0.835 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000822535645 607138298 /nfs/dbraw/zinc/13/82/98/607138298.db2.gz ZGCMUQWOXNUWNY-QWRGUYRKSA-N -1 1 385.384 0.322 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000822535645 607138299 /nfs/dbraw/zinc/13/82/99/607138299.db2.gz ZGCMUQWOXNUWNY-QWRGUYRKSA-N -1 1 385.384 0.322 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000823136110 607206324 /nfs/dbraw/zinc/20/63/24/607206324.db2.gz KMBFPCWBHVYCBW-UHFFFAOYSA-N -1 1 378.360 0.085 20 0 GCADMM COc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nccn1C ZINC000821882764 607206534 /nfs/dbraw/zinc/20/65/34/607206534.db2.gz KELPAMWHACJWHO-AWEZNQCLSA-N -1 1 394.399 0.106 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000823123020 607206803 /nfs/dbraw/zinc/20/68/03/607206803.db2.gz LCWCGXBAEFREKH-UHFFFAOYSA-N -1 1 376.384 0.650 20 0 GCADMM COc1ccc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC(F)F ZINC000821794699 607207483 /nfs/dbraw/zinc/20/74/83/607207483.db2.gz KGBOWNUCNCYSDX-UHFFFAOYSA-N -1 1 394.342 0.727 20 0 GCADMM O=C(CCC1CCCC1)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000822950530 607207674 /nfs/dbraw/zinc/20/76/74/607207674.db2.gz RLSOISRWBWNMNT-UHFFFAOYSA-N -1 1 387.448 0.099 20 0 GCADMM C[C@@H]1CN(c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)C[C@@H](C)O1 ZINC000820777127 607207909 /nfs/dbraw/zinc/20/79/09/607207909.db2.gz PLFCXUUQDGJYLV-GHMZBOCLSA-N -1 1 384.404 0.106 20 0 GCADMM C[C@H]1CN(c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)C[C@H](C)O1 ZINC000820777129 607207956 /nfs/dbraw/zinc/20/79/56/607207956.db2.gz PLFCXUUQDGJYLV-QWRGUYRKSA-N -1 1 384.404 0.106 20 0 GCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820334179 607208220 /nfs/dbraw/zinc/20/82/20/607208220.db2.gz KMMSGVCPHMKJRY-SNVBAGLBSA-N -1 1 396.415 0.620 20 0 GCADMM CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820138355 607208644 /nfs/dbraw/zinc/20/86/44/607208644.db2.gz VNHXAGQVJXSEJA-UHFFFAOYSA-N -1 1 389.807 0.889 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000823126620 607209701 /nfs/dbraw/zinc/20/97/01/607209701.db2.gz KJYCSPIFKNOOJL-HNNXBMFYSA-N -1 1 382.384 0.497 20 0 GCADMM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821138951 607210136 /nfs/dbraw/zinc/21/01/36/607210136.db2.gz LRNRKIGDGQZRLJ-GFCCVEGCSA-N -1 1 397.443 0.486 20 0 GCADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821066339 607210148 /nfs/dbraw/zinc/21/01/48/607210148.db2.gz SVLLFHAOBSGLTQ-VXGBXAGGSA-N -1 1 375.437 0.002 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000823126600 607210411 /nfs/dbraw/zinc/21/04/11/607210411.db2.gz JWNJIXFMLOOGHO-UHFFFAOYSA-N -1 1 386.391 0.462 20 0 GCADMM CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821170773 607212303 /nfs/dbraw/zinc/21/23/03/607212303.db2.gz WIZXBVNTAYJNTL-AWEZNQCLSA-N -1 1 397.443 0.054 20 0 GCADMM CC(C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2cccnc2)no1 ZINC000820027422 607212452 /nfs/dbraw/zinc/21/24/52/607212452.db2.gz RVFKSTJGFMOXGT-LBPRGKRZSA-N -1 1 395.387 0.417 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000823337636 607212858 /nfs/dbraw/zinc/21/28/58/607212858.db2.gz PFXVEKPVRSNLRP-UHFFFAOYSA-N -1 1 399.390 0.475 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000823132037 607213065 /nfs/dbraw/zinc/21/30/65/607213065.db2.gz WNADNHJIEJEUML-UHFFFAOYSA-N -1 1 383.347 0.611 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000823131932 607215496 /nfs/dbraw/zinc/21/54/96/607215496.db2.gz RCRGLUVODURASK-NSHDSACASA-N -1 1 388.363 0.794 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000823126965 607215670 /nfs/dbraw/zinc/21/56/70/607215670.db2.gz PAALIAWCXATUFB-JTQLQIEISA-N -1 1 375.343 0.132 20 0 GCADMM Cc1cc(Br)ccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822161783 607216016 /nfs/dbraw/zinc/21/60/16/607216016.db2.gz UFSSOWOXNYIQDR-UHFFFAOYSA-N -1 1 377.206 0.846 20 0 GCADMM Cc1ccc2oc(N3CCN(C(=O)Cn4cnc(-c5nn[n-]n5)n4)CC3)nc2c1 ZINC000822284722 607217117 /nfs/dbraw/zinc/21/71/17/607217117.db2.gz XRPWJBKEUXTTIW-UHFFFAOYSA-N -1 1 394.399 0.257 20 0 GCADMM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820016378 607217158 /nfs/dbraw/zinc/21/71/58/607217158.db2.gz LIBAVFYYLBYVJX-MRXNPFEDSA-N -1 1 393.452 0.514 20 0 GCADMM COc1cccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)c1 ZINC000821871801 607217678 /nfs/dbraw/zinc/21/76/78/607217678.db2.gz DUQDADNAXKKEPH-GFCCVEGCSA-N -1 1 383.416 0.252 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823127152 607218588 /nfs/dbraw/zinc/21/85/88/607218588.db2.gz UXTFHZRQJOAZMP-JTQLQIEISA-N -1 1 383.199 0.615 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820734154 607218618 /nfs/dbraw/zinc/21/86/18/607218618.db2.gz LKJKQVKZDSNNLA-GHMZBOCLSA-N -1 1 391.436 0.220 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820734158 607218819 /nfs/dbraw/zinc/21/88/19/607218819.db2.gz LKJKQVKZDSNNLA-WDEREUQCSA-N -1 1 391.436 0.220 20 0 GCADMM Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000822241509 607219796 /nfs/dbraw/zinc/21/97/96/607219796.db2.gz YFBAPFDMEDAZJQ-CYBMUJFWSA-N -1 1 381.400 0.078 20 0 GCADMM Cn1ccnc1C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000822698819 607220217 /nfs/dbraw/zinc/22/02/17/607220217.db2.gz GQPZALOSBXWPQJ-CYBMUJFWSA-N -1 1 378.400 0.292 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000823123015 607220277 /nfs/dbraw/zinc/22/02/77/607220277.db2.gz KWSZESUTPHJWRN-MRVPVSSYSA-N -1 1 396.337 0.606 20 0 GCADMM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc2NC1=O ZINC000821000594 607220820 /nfs/dbraw/zinc/22/08/20/607220820.db2.gz GYRAWQMFTGUYGQ-SKDRFNHKSA-N -1 1 397.399 0.445 20 0 GCADMM CCOC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1C ZINC000821326238 607220898 /nfs/dbraw/zinc/22/08/98/607220898.db2.gz VPJBZDOKCPSXKW-ZDUSSCGKSA-N -1 1 384.400 0.577 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000823127206 607221282 /nfs/dbraw/zinc/22/12/82/607221282.db2.gz WNURAZUTEANSBL-UHFFFAOYSA-N -1 1 393.333 0.874 20 0 GCADMM CCN(C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1)CC(F)(F)F ZINC000821197313 607221374 /nfs/dbraw/zinc/22/13/74/607221374.db2.gz ITGROUIFYPSSKE-SNVBAGLBSA-N -1 1 387.370 0.191 20 0 GCADMM Cc1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)[C@@H](C)C2)cc1C ZINC000822242175 607221687 /nfs/dbraw/zinc/22/16/87/607221687.db2.gz CNVMXCVYLVNKDH-AWEZNQCLSA-N -1 1 381.444 0.812 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000823176386 607221735 /nfs/dbraw/zinc/22/17/35/607221735.db2.gz SOADPUKHFIMPGS-ZDUSSCGKSA-N -1 1 395.427 0.127 20 0 GCADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cn(-c2ccccc2)nn1 ZINC000819987677 607222486 /nfs/dbraw/zinc/22/24/86/607222486.db2.gz FZQUCOWFKMTNLJ-UHFFFAOYSA-N -1 1 379.388 0.090 20 0 GCADMM Cc1nn(CC(=O)c2ccc3c(c2)CCC(=O)N3C)c(=O)c(-c2nn[n-]n2)c1C ZINC000826333978 607808921 /nfs/dbraw/zinc/80/89/21/607808921.db2.gz BTFAYWIKPNQCNP-UHFFFAOYSA-N -1 1 393.407 0.832 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(C)(c3ccccc3)CC2)n(C)c1=O ZINC000826355851 607810734 /nfs/dbraw/zinc/81/07/34/607810734.db2.gz PTOSDEPQEZUXBA-UHFFFAOYSA-N -1 1 381.440 0.822 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCc1ccon1 ZINC000826328391 607832070 /nfs/dbraw/zinc/83/20/70/607832070.db2.gz PUYMDECBZYZBQG-UHFFFAOYSA-N -1 1 381.400 0.806 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCc1ccon1 ZINC000826328391 607832071 /nfs/dbraw/zinc/83/20/71/607832071.db2.gz PUYMDECBZYZBQG-UHFFFAOYSA-N -1 1 381.400 0.806 20 0 GCADMM CC(=O)NC[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000823994968 607837143 /nfs/dbraw/zinc/83/71/43/607837143.db2.gz VERLLEWDAQUTGE-VIFPVBQESA-N -1 1 386.416 0.527 20 0 GCADMM CC(=O)NC[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000823994968 607837144 /nfs/dbraw/zinc/83/71/44/607837144.db2.gz VERLLEWDAQUTGE-VIFPVBQESA-N -1 1 386.416 0.527 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)[C@H]2C1 ZINC000826145918 607852859 /nfs/dbraw/zinc/85/28/59/607852859.db2.gz NQLYYHQGAAWWMK-WXHSDQCUSA-N -1 1 397.432 0.963 20 0 GCADMM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)[C@H]2C1 ZINC000826145918 607852860 /nfs/dbraw/zinc/85/28/60/607852860.db2.gz NQLYYHQGAAWWMK-WXHSDQCUSA-N -1 1 397.432 0.963 20 0 GCADMM CN(C)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825879390 607853497 /nfs/dbraw/zinc/85/34/97/607853497.db2.gz MGTHRMVNRSXMHZ-UHFFFAOYSA-N -1 1 377.405 0.945 20 0 GCADMM CN(C)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825879390 607853498 /nfs/dbraw/zinc/85/34/98/607853498.db2.gz MGTHRMVNRSXMHZ-UHFFFAOYSA-N -1 1 377.405 0.945 20 0 GCADMM C[C@@H](NC(=O)COc1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCCCC1 ZINC000824480083 607865996 /nfs/dbraw/zinc/86/59/96/607865996.db2.gz SRKMAWDCRFGXAX-LLVKDONJSA-N -1 1 376.392 0.902 20 0 GCADMM C[C@@H](NC(=O)COc1cccc(F)c1-c1nn[n-]n1)C(=O)N1CCCCC1 ZINC000824480083 607865997 /nfs/dbraw/zinc/86/59/97/607865997.db2.gz SRKMAWDCRFGXAX-LLVKDONJSA-N -1 1 376.392 0.902 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826090995 607881263 /nfs/dbraw/zinc/88/12/63/607881263.db2.gz UHWMWTAAWQYRDI-VIFPVBQESA-N -1 1 376.398 0.859 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCOCC1 ZINC000824040423 607905888 /nfs/dbraw/zinc/90/58/88/607905888.db2.gz POTJMBBYOUSFFV-CHWSQXEVSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCOCC1 ZINC000824040423 607905889 /nfs/dbraw/zinc/90/58/89/607905889.db2.gz POTJMBBYOUSFFV-CHWSQXEVSA-N -1 1 386.460 0.757 20 0 GCADMM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489577 607906398 /nfs/dbraw/zinc/90/63/98/607906398.db2.gz UOWGBEFYTCGHKT-SNVBAGLBSA-N -1 1 381.389 0.728 20 0 GCADMM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489577 607906399 /nfs/dbraw/zinc/90/63/99/607906399.db2.gz UOWGBEFYTCGHKT-SNVBAGLBSA-N -1 1 381.389 0.728 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825211601 607907053 /nfs/dbraw/zinc/90/70/53/607907053.db2.gz NMBBUVWOKIGNKL-DGCLKSJQSA-N -1 1 379.446 0.187 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825211601 607907054 /nfs/dbraw/zinc/90/70/54/607907054.db2.gz NMBBUVWOKIGNKL-DGCLKSJQSA-N -1 1 379.446 0.187 20 0 GCADMM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826363767 607907111 /nfs/dbraw/zinc/90/71/11/607907111.db2.gz BBLAOJGWFPSXNM-JTQLQIEISA-N -1 1 377.405 0.918 20 0 GCADMM CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000823981966 607914841 /nfs/dbraw/zinc/91/48/41/607914841.db2.gz UVKVAAHFDUJBQP-GFCCVEGCSA-N -1 1 390.400 0.959 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(-c3nn[nH]n3)c2)co1 ZINC000826091213 607919220 /nfs/dbraw/zinc/91/92/20/607919220.db2.gz ZDSQVELKCLZDQV-UHFFFAOYSA-N -1 1 391.365 0.408 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000825000159 607940508 /nfs/dbraw/zinc/94/05/08/607940508.db2.gz NHSMLHDVPCUXKK-NEPJUHHUSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000825000159 607940509 /nfs/dbraw/zinc/94/05/09/607940509.db2.gz NHSMLHDVPCUXKK-NEPJUHHUSA-N -1 1 394.443 0.222 20 0 GCADMM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)n1ncc(-c3nn[n-]n3)c1N)C2=O ZINC000824875200 607960994 /nfs/dbraw/zinc/96/09/94/607960994.db2.gz JONFANLFMCGEJQ-IUCAKERBSA-N -1 1 387.404 0.032 20 0 GCADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489397 607971568 /nfs/dbraw/zinc/97/15/68/607971568.db2.gz OOLLMDPAFDAMFJ-IUODEOHRSA-N -1 1 375.385 0.942 20 0 GCADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489397 607971569 /nfs/dbraw/zinc/97/15/69/607971569.db2.gz OOLLMDPAFDAMFJ-IUODEOHRSA-N -1 1 375.385 0.942 20 0 GCADMM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825663114 607975032 /nfs/dbraw/zinc/97/50/32/607975032.db2.gz JGLHCZFCKJCUNE-UHFFFAOYSA-N -1 1 377.423 0.061 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)c2ccc(Cl)cc2Cl)c1=O ZINC000826356186 607982269 /nfs/dbraw/zinc/98/22/69/607982269.db2.gz FQOBBVZRIJYUNQ-NSHDSACASA-N -1 1 383.195 0.768 20 0 GCADMM COc1ccc(OC)c(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826210804 607988432 /nfs/dbraw/zinc/98/84/32/607988432.db2.gz FVLXABPPRMVVSE-UHFFFAOYSA-N -1 1 382.428 0.996 20 0 GCADMM Nc1nc(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc2ccccc12 ZINC000826396207 607988554 /nfs/dbraw/zinc/98/85/54/607988554.db2.gz MOSSTQILYLVADO-UHFFFAOYSA-N -1 1 389.427 0.504 20 0 GCADMM Nc1nc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc2ccccc12 ZINC000826396207 607988555 /nfs/dbraw/zinc/98/85/55/607988555.db2.gz MOSSTQILYLVADO-UHFFFAOYSA-N -1 1 389.427 0.504 20 0 GCADMM Cc1c(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cnn1C ZINC000826236169 607992307 /nfs/dbraw/zinc/99/23/07/607992307.db2.gz AHNYRRAJPHNTQM-GFCCVEGCSA-N -1 1 396.459 0.369 20 0 GCADMM Cc1c(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cnn1C ZINC000826236169 607992308 /nfs/dbraw/zinc/99/23/08/607992308.db2.gz AHNYRRAJPHNTQM-GFCCVEGCSA-N -1 1 396.459 0.369 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000826450938 607996753 /nfs/dbraw/zinc/99/67/53/607996753.db2.gz JHRVZHBEKAOAPU-UHFFFAOYSA-N -1 1 387.381 0.008 20 0 GCADMM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826340544 607996801 /nfs/dbraw/zinc/99/68/01/607996801.db2.gz BUNPMOWRJASYRO-UHFFFAOYSA-N -1 1 378.370 0.682 20 0 GCADMM Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cnc21 ZINC000826354733 607998820 /nfs/dbraw/zinc/99/88/20/607998820.db2.gz SGWPOHQPVWLHIT-UHFFFAOYSA-N -1 1 380.324 0.172 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](Cc1ccccc1)n1cnnn1 ZINC000826451214 607998994 /nfs/dbraw/zinc/99/89/94/607998994.db2.gz WBAUWUZKWQNMAW-AWEZNQCLSA-N -1 1 377.368 0.981 20 0 GCADMM Cn1ncc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C(F)F ZINC000826365738 608008966 /nfs/dbraw/zinc/00/89/66/608008966.db2.gz BCLYUKPJPQGOOU-UHFFFAOYSA-N -1 1 381.351 0.597 20 0 GCADMM Cn1ncc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C(F)F ZINC000826365738 608008967 /nfs/dbraw/zinc/00/89/67/608008967.db2.gz BCLYUKPJPQGOOU-UHFFFAOYSA-N -1 1 381.351 0.597 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000825865814 608009849 /nfs/dbraw/zinc/00/98/49/608009849.db2.gz MJGGHAZZRJRHQK-UHFFFAOYSA-N -1 1 388.837 0.157 20 0 GCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cnn1CCO[C@H]1CCCCO1 ZINC000826235164 608011593 /nfs/dbraw/zinc/01/15/93/608011593.db2.gz DKEBQULJJDCDLG-ZDUSSCGKSA-N -1 1 387.404 0.382 20 0 GCADMM COCCOc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)nc2ccccc21 ZINC000826160800 608012270 /nfs/dbraw/zinc/01/22/70/608012270.db2.gz HHCQKLWFAINRSO-UHFFFAOYSA-N -1 1 380.368 0.907 20 0 GCADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C[C@H]1O ZINC000825202464 608039523 /nfs/dbraw/zinc/03/95/23/608039523.db2.gz KNEAFIWUKBOOFM-IUODEOHRSA-N -1 1 384.444 0.688 20 0 GCADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C[C@H]1O ZINC000825202464 608039524 /nfs/dbraw/zinc/03/95/24/608039524.db2.gz KNEAFIWUKBOOFM-IUODEOHRSA-N -1 1 384.444 0.688 20 0 GCADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C[C@H]1O ZINC000825202466 608039706 /nfs/dbraw/zinc/03/97/06/608039706.db2.gz KNEAFIWUKBOOFM-SWLSCSKDSA-N -1 1 384.444 0.688 20 0 GCADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C[C@H]1O ZINC000825202466 608039707 /nfs/dbraw/zinc/03/97/07/608039707.db2.gz KNEAFIWUKBOOFM-SWLSCSKDSA-N -1 1 384.444 0.688 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1SCCS1 ZINC000825000515 608046317 /nfs/dbraw/zinc/04/63/17/608046317.db2.gz RMIPIVBUKNQDLM-VIFPVBQESA-N -1 1 378.487 0.500 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1SCCS1 ZINC000825000515 608046318 /nfs/dbraw/zinc/04/63/18/608046318.db2.gz RMIPIVBUKNQDLM-VIFPVBQESA-N -1 1 378.487 0.500 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(OCC(F)(F)F)c2)c1=O ZINC000826356679 608095868 /nfs/dbraw/zinc/09/58/68/608095868.db2.gz AQLWUTFTHXRVPQ-UHFFFAOYSA-N -1 1 382.302 0.717 20 0 GCADMM Cc1cc(C)n(-c2ccc(Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)cc2)n1 ZINC000826264823 608095936 /nfs/dbraw/zinc/09/59/36/608095936.db2.gz BLEGPJHQAKFBTE-UHFFFAOYSA-N -1 1 378.396 0.578 20 0 GCADMM COc1ccc(C[C@H](C)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC000826191584 608103354 /nfs/dbraw/zinc/10/33/54/608103354.db2.gz KAABUUZZPDJNNQ-NSHDSACASA-N -1 1 386.416 0.470 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1N1CCC(CO)CC1 ZINC000826425669 608106567 /nfs/dbraw/zinc/10/65/67/608106567.db2.gz NUYPEMDLDCMCBL-UHFFFAOYSA-N -1 1 383.416 0.306 20 0 GCADMM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CN1 ZINC000826479004 608111838 /nfs/dbraw/zinc/11/18/38/608111838.db2.gz NYDHKPCCZBXKHU-MFKMUULPSA-N -1 1 394.432 0.685 20 0 GCADMM O=C(COC(=O)[C@@H]1CCCO1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737908572 608117120 /nfs/dbraw/zinc/11/71/20/608117120.db2.gz NRTPWYXGUGCIHA-ZDUSSCGKSA-N -1 1 383.368 0.713 20 0 GCADMM O=C(COC(=O)[C@@H]1CCCO1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737908572 608117121 /nfs/dbraw/zinc/11/71/21/608117121.db2.gz NRTPWYXGUGCIHA-ZDUSSCGKSA-N -1 1 383.368 0.713 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOCC2(CCOCC2)C1 ZINC000826495226 608128874 /nfs/dbraw/zinc/12/88/74/608128874.db2.gz HUERTEUMTZPFIL-UHFFFAOYSA-N -1 1 397.432 0.824 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 ZINC000826356782 608160602 /nfs/dbraw/zinc/16/06/02/608160602.db2.gz FSWFVHJOJXOXIH-QMMMGPOBSA-N -1 1 388.338 0.870 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 ZINC000826356782 608160604 /nfs/dbraw/zinc/16/06/04/608160604.db2.gz FSWFVHJOJXOXIH-QMMMGPOBSA-N -1 1 388.338 0.870 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)OCC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341524 608169852 /nfs/dbraw/zinc/16/98/52/608169852.db2.gz JPGBWVJXYKDWFK-JQWIXIFHSA-N -1 1 389.416 0.930 20 0 GCADMM C[C@H]1OCC[C@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825019968 608176920 /nfs/dbraw/zinc/17/69/20/608176920.db2.gz HQYAJTHEFODREP-DGCLKSJQSA-N -1 1 397.395 0.959 20 0 GCADMM C[C@H]1OCC[C@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825019968 608176921 /nfs/dbraw/zinc/17/69/21/608176921.db2.gz HQYAJTHEFODREP-DGCLKSJQSA-N -1 1 397.395 0.959 20 0 GCADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000824858581 608179912 /nfs/dbraw/zinc/17/99/12/608179912.db2.gz KRZDBXUNRMUQQJ-MBNYWOFBSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000824858581 608179913 /nfs/dbraw/zinc/17/99/13/608179913.db2.gz KRZDBXUNRMUQQJ-MBNYWOFBSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC000825001056 608180024 /nfs/dbraw/zinc/18/00/24/608180024.db2.gz WRDINGBWGXINKJ-JTQLQIEISA-N -1 1 391.399 0.279 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC000825001056 608180027 /nfs/dbraw/zinc/18/00/27/608180027.db2.gz WRDINGBWGXINKJ-JTQLQIEISA-N -1 1 391.399 0.279 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000826229448 608209666 /nfs/dbraw/zinc/20/96/66/608209666.db2.gz DYPNZZYSVCQVBA-QMMMGPOBSA-N -1 1 391.413 0.356 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSCc1ccncc1 ZINC000825929837 608211475 /nfs/dbraw/zinc/21/14/75/608211475.db2.gz LKNVXWMHBCSXIX-UHFFFAOYSA-N -1 1 387.473 0.891 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSCc1ccncc1 ZINC000825929837 608211477 /nfs/dbraw/zinc/21/14/77/608211477.db2.gz LKNVXWMHBCSXIX-UHFFFAOYSA-N -1 1 387.473 0.891 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2csc(C(C)(C)C)n2)n(C)c1=O ZINC000826356070 608231510 /nfs/dbraw/zinc/23/15/10/608231510.db2.gz YZTBADOITQHSIH-UHFFFAOYSA-N -1 1 390.473 0.673 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2nc3c(s2)CCCC3)n(C)c1=O ZINC000826355930 608231531 /nfs/dbraw/zinc/23/15/31/608231531.db2.gz TUQSFWRJBGJROP-UHFFFAOYSA-N -1 1 388.457 0.254 20 0 GCADMM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825247069 608239508 /nfs/dbraw/zinc/23/95/08/608239508.db2.gz AAFLRWPVLLRRLV-LLVKDONJSA-N -1 1 384.849 0.809 20 0 GCADMM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826060816 608240174 /nfs/dbraw/zinc/24/01/74/608240174.db2.gz UBRJGMVAOHMFJY-SCZZXKLOSA-N -1 1 384.849 0.713 20 0 GCADMM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826060816 608240175 /nfs/dbraw/zinc/24/01/75/608240175.db2.gz UBRJGMVAOHMFJY-SCZZXKLOSA-N -1 1 384.849 0.713 20 0 GCADMM C[C@H](CCO)N(Cc1ccccc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824406419 608240290 /nfs/dbraw/zinc/24/02/90/608240290.db2.gz JMXHTZDLMQVTRG-GFCCVEGCSA-N -1 1 385.428 0.042 20 0 GCADMM CNC(=O)[C@H]1CCC[C@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826053197 608244120 /nfs/dbraw/zinc/24/41/20/608244120.db2.gz VUBHPXWNPHPFAS-QWHCGFSZSA-N -1 1 387.444 0.548 20 0 GCADMM COC(=O)C(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826098459 608247153 /nfs/dbraw/zinc/24/71/53/608247153.db2.gz FPLQLQSFZGNBOT-LLVKDONJSA-N -1 1 394.457 0.862 20 0 GCADMM COC(=O)C(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826098459 608247155 /nfs/dbraw/zinc/24/71/55/608247155.db2.gz FPLQLQSFZGNBOT-LLVKDONJSA-N -1 1 394.457 0.862 20 0 GCADMM CCc1cccnc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825728681 608309475 /nfs/dbraw/zinc/30/94/75/608309475.db2.gz VSFXTWXKCOFMPI-LBPRGKRZSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1cccnc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825728681 608309477 /nfs/dbraw/zinc/30/94/77/608309477.db2.gz VSFXTWXKCOFMPI-LBPRGKRZSA-N -1 1 379.428 0.965 20 0 GCADMM COCCN(CC(=O)OC)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826157924 608311566 /nfs/dbraw/zinc/31/15/66/608311566.db2.gz ROEYRTCWVOAJOJ-UHFFFAOYSA-N -1 1 385.428 0.982 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCCS(=O)(=O)CC2)c1-c1nn[n-]n1 ZINC000826332264 608314680 /nfs/dbraw/zinc/31/46/80/608314680.db2.gz OWTFXCMLZYHXDX-UHFFFAOYSA-N -1 1 387.469 0.981 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCS(=O)(=O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826332329 608315357 /nfs/dbraw/zinc/31/53/57/608315357.db2.gz QKNKXLLVRBGBHI-LBPRGKRZSA-N -1 1 387.469 0.980 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H](O)c2ccccc2)n1 ZINC000824148251 608340289 /nfs/dbraw/zinc/34/02/89/608340289.db2.gz PSIWUWNQKCAVCM-ZDUSSCGKSA-N -1 1 398.427 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H](O)c2ccccc2)n1 ZINC000824148251 608340291 /nfs/dbraw/zinc/34/02/91/608340291.db2.gz PSIWUWNQKCAVCM-ZDUSSCGKSA-N -1 1 398.427 0.607 20 0 GCADMM Cc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)n1 ZINC000826298553 608347864 /nfs/dbraw/zinc/34/78/64/608347864.db2.gz YKDODPXKEBOXGZ-UHFFFAOYSA-N -1 1 383.416 0.777 20 0 GCADMM Cc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)n1 ZINC000826298553 608347865 /nfs/dbraw/zinc/34/78/65/608347865.db2.gz YKDODPXKEBOXGZ-UHFFFAOYSA-N -1 1 383.416 0.777 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCN(C3CC3)CC2)n1 ZINC000824141485 608351241 /nfs/dbraw/zinc/35/12/41/608351241.db2.gz HYOCOJFSMUGJMD-UHFFFAOYSA-N -1 1 387.448 0.063 20 0 GCADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCS1 ZINC000824967271 608351878 /nfs/dbraw/zinc/35/18/78/608351878.db2.gz IYQZKVWQEJBHER-VIFPVBQESA-N -1 1 378.462 0.721 20 0 GCADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCS1 ZINC000824967271 608351880 /nfs/dbraw/zinc/35/18/80/608351880.db2.gz IYQZKVWQEJBHER-VIFPVBQESA-N -1 1 378.462 0.721 20 0 GCADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000824966470 608351884 /nfs/dbraw/zinc/35/18/84/608351884.db2.gz BOMJMWJAVHIPEM-JTQLQIEISA-N -1 1 390.448 0.783 20 0 GCADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000824966470 608351885 /nfs/dbraw/zinc/35/18/85/608351885.db2.gz BOMJMWJAVHIPEM-JTQLQIEISA-N -1 1 390.448 0.783 20 0 GCADMM CC(C)(C)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824070850 608352773 /nfs/dbraw/zinc/35/27/73/608352773.db2.gz DMRHPKWQZJTOEY-JTQLQIEISA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824070850 608352775 /nfs/dbraw/zinc/35/27/75/608352775.db2.gz DMRHPKWQZJTOEY-JTQLQIEISA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)n1 ZINC000824148563 608353880 /nfs/dbraw/zinc/35/38/80/608353880.db2.gz ZXSWEKPFAZTCLK-JQWIXIFHSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)n1 ZINC000824148563 608353882 /nfs/dbraw/zinc/35/38/82/608353882.db2.gz ZXSWEKPFAZTCLK-JQWIXIFHSA-N -1 1 390.448 0.424 20 0 GCADMM C[C@@H](O)C[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824690260 608353922 /nfs/dbraw/zinc/35/39/22/608353922.db2.gz RNEYBYFDVJAIBV-VHSXEESVSA-N -1 1 378.437 0.280 20 0 GCADMM C[C@@H](O)C[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824690260 608353924 /nfs/dbraw/zinc/35/39/24/608353924.db2.gz RNEYBYFDVJAIBV-VHSXEESVSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2O)n1 ZINC000824148336 608353926 /nfs/dbraw/zinc/35/39/26/608353926.db2.gz QVRRGFRSZHFZHO-MNOVXSKESA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2O)n1 ZINC000824148336 608353928 /nfs/dbraw/zinc/35/39/28/608353928.db2.gz QVRRGFRSZHFZHO-MNOVXSKESA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H](CO)c2ccccc2)n1 ZINC000824141343 608354035 /nfs/dbraw/zinc/35/40/35/608354035.db2.gz FXCYVNNIFQMQFZ-CYBMUJFWSA-N -1 1 398.427 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H](CO)c2ccccc2)n1 ZINC000824141343 608354037 /nfs/dbraw/zinc/35/40/37/608354037.db2.gz FXCYVNNIFQMQFZ-CYBMUJFWSA-N -1 1 398.427 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)n1 ZINC000824147275 608354121 /nfs/dbraw/zinc/35/41/21/608354121.db2.gz BIOGWXBZNLMZKF-KOLCDFICSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)n1 ZINC000824147275 608354124 /nfs/dbraw/zinc/35/41/24/608354124.db2.gz BIOGWXBZNLMZKF-KOLCDFICSA-N -1 1 376.421 0.034 20 0 GCADMM C[C@@H]1CSCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825011998 608354966 /nfs/dbraw/zinc/35/49/66/608354966.db2.gz CDBGGOKLELNIOS-SECBINFHSA-N -1 1 378.462 0.721 20 0 GCADMM C[C@@H]1CSCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825011998 608354968 /nfs/dbraw/zinc/35/49/68/608354968.db2.gz CDBGGOKLELNIOS-SECBINFHSA-N -1 1 378.462 0.721 20 0 GCADMM CCC[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825233975 608355010 /nfs/dbraw/zinc/35/50/10/608355010.db2.gz UFGFNXVFRASXIK-INIZCTEOSA-N -1 1 378.437 0.424 20 0 GCADMM CCC[C@](C)(O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825233975 608355012 /nfs/dbraw/zinc/35/50/12/608355012.db2.gz UFGFNXVFRASXIK-INIZCTEOSA-N -1 1 378.437 0.424 20 0 GCADMM CCOC[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825590620 608355497 /nfs/dbraw/zinc/35/54/97/608355497.db2.gz YHLUVNXTXXYTBJ-NSHDSACASA-N -1 1 390.448 0.642 20 0 GCADMM CCOC[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825590620 608355499 /nfs/dbraw/zinc/35/54/99/608355499.db2.gz YHLUVNXTXXYTBJ-NSHDSACASA-N -1 1 390.448 0.642 20 0 GCADMM COC[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826153759 608355703 /nfs/dbraw/zinc/35/57/03/608355703.db2.gz ZBVGGWKGOIYARB-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM COC[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826153759 608355706 /nfs/dbraw/zinc/35/57/06/608355706.db2.gz ZBVGGWKGOIYARB-JTQLQIEISA-N -1 1 376.421 0.394 20 0 GCADMM CO[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1(C)C ZINC000826144285 608356948 /nfs/dbraw/zinc/35/69/48/608356948.db2.gz GGHABQYQOYNFPF-QWRGUYRKSA-N -1 1 390.448 0.686 20 0 GCADMM CO[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1(C)C ZINC000826144285 608356949 /nfs/dbraw/zinc/35/69/49/608356949.db2.gz GGHABQYQOYNFPF-QWRGUYRKSA-N -1 1 390.448 0.686 20 0 GCADMM C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824698724 608357800 /nfs/dbraw/zinc/35/78/00/608357800.db2.gz NSUQEMZHNIHUNU-GHMZBOCLSA-N -1 1 390.448 0.519 20 0 GCADMM C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824698724 608357801 /nfs/dbraw/zinc/35/78/01/608357801.db2.gz NSUQEMZHNIHUNU-GHMZBOCLSA-N -1 1 390.448 0.519 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCOC(C)(C)C2)n1 ZINC000824790550 608357805 /nfs/dbraw/zinc/35/78/05/608357805.db2.gz OJAVFTWDARQEQF-JTQLQIEISA-N -1 1 390.448 0.831 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCOC(C)(C)C2)n1 ZINC000824790550 608357807 /nfs/dbraw/zinc/35/78/07/608357807.db2.gz OJAVFTWDARQEQF-JTQLQIEISA-N -1 1 390.448 0.831 20 0 GCADMM C[C@@H]1C[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824882844 608358005 /nfs/dbraw/zinc/35/80/05/608358005.db2.gz CVLQYMFWSRAYKY-MNOVXSKESA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H]1C[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824882844 608358006 /nfs/dbraw/zinc/35/80/06/608358006.db2.gz CVLQYMFWSRAYKY-MNOVXSKESA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824402418 608358109 /nfs/dbraw/zinc/35/81/09/608358109.db2.gz WKEFAYGLZLWPGX-WDEREUQCSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824402418 608358111 /nfs/dbraw/zinc/35/81/11/608358111.db2.gz WKEFAYGLZLWPGX-WDEREUQCSA-N -1 1 390.448 0.688 20 0 GCADMM O=C(Nc1ccccc1Oc1ncccc1-c1nn[n-]n1)C(=O)N1CC[C@H](O)C1 ZINC000826457904 608360804 /nfs/dbraw/zinc/36/08/04/608360804.db2.gz VJLYMBAPRPVAHW-NSHDSACASA-N -1 1 395.379 0.586 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(-c3nn[nH]n3)cc2OC)co1 ZINC000826091121 608370620 /nfs/dbraw/zinc/37/06/20/608370620.db2.gz VOHSBFZDTLQSQW-UHFFFAOYSA-N -1 1 393.381 0.733 20 0 GCADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825892619 608389853 /nfs/dbraw/zinc/38/98/53/608389853.db2.gz QDZDEJMGKBQKAX-UHFFFAOYSA-N -1 1 395.427 0.568 20 0 GCADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825892619 608389855 /nfs/dbraw/zinc/38/98/55/608389855.db2.gz QDZDEJMGKBQKAX-UHFFFAOYSA-N -1 1 395.427 0.568 20 0 GCADMM CCNC(=O)COc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000825470921 608400170 /nfs/dbraw/zinc/40/01/70/608400170.db2.gz JPGDREAVRFZQCS-UHFFFAOYSA-N -1 1 384.400 0.792 20 0 GCADMM CCNC(=O)COc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000825470921 608400171 /nfs/dbraw/zinc/40/01/71/608400171.db2.gz JPGDREAVRFZQCS-UHFFFAOYSA-N -1 1 384.400 0.792 20 0 GCADMM COCCNS(=O)(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826160404 608400188 /nfs/dbraw/zinc/40/01/88/608400188.db2.gz QJTHAMWKBWALTK-UHFFFAOYSA-N -1 1 390.429 0.194 20 0 GCADMM COCCNS(=O)(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826160404 608400189 /nfs/dbraw/zinc/40/01/89/608400189.db2.gz QJTHAMWKBWALTK-UHFFFAOYSA-N -1 1 390.429 0.194 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@]2(C)CCCc3ccccc32)n(C)c1=O ZINC000826355807 608412244 /nfs/dbraw/zinc/41/22/44/608412244.db2.gz NSAVFJSIHYZEKE-LJQANCHMSA-N -1 1 381.440 0.970 20 0 GCADMM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826391439 608438167 /nfs/dbraw/zinc/43/81/67/608438167.db2.gz LARNQKISBWPGHZ-CQSZACIVSA-N -1 1 380.412 0.277 20 0 GCADMM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826391439 608438168 /nfs/dbraw/zinc/43/81/68/608438168.db2.gz LARNQKISBWPGHZ-CQSZACIVSA-N -1 1 380.412 0.277 20 0 GCADMM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)Nc1ccccc1F ZINC000826410876 608438309 /nfs/dbraw/zinc/43/83/09/608438309.db2.gz BAFPNBGJFAYPRL-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)Nc1ccccc1F ZINC000826410876 608438311 /nfs/dbraw/zinc/43/83/11/608438311.db2.gz BAFPNBGJFAYPRL-UHFFFAOYSA-N -1 1 383.391 0.557 20 0 GCADMM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826365359 608446481 /nfs/dbraw/zinc/44/64/81/608446481.db2.gz LDIZCDMJJIWUSU-NSHDSACASA-N -1 1 378.393 0.660 20 0 GCADMM CCc1nn(C)cc1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825763350 608469123 /nfs/dbraw/zinc/46/91/23/608469123.db2.gz VKCYFJJCVLVREC-UHFFFAOYSA-N -1 1 386.420 0.691 20 0 GCADMM CCc1nn(C)cc1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825763350 608469125 /nfs/dbraw/zinc/46/91/25/608469125.db2.gz VKCYFJJCVLVREC-UHFFFAOYSA-N -1 1 386.420 0.691 20 0 GCADMM Cc1cnccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826319525 608474016 /nfs/dbraw/zinc/47/40/16/608474016.db2.gz HBXUNYFSINVNMR-LBPRGKRZSA-N -1 1 380.416 0.525 20 0 GCADMM Cc1cnccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826319525 608474017 /nfs/dbraw/zinc/47/40/17/608474017.db2.gz HBXUNYFSINVNMR-LBPRGKRZSA-N -1 1 380.416 0.525 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)cn1 ZINC000826270284 608477247 /nfs/dbraw/zinc/47/72/47/608477247.db2.gz SXKOLXNSUXKFET-CYBMUJFWSA-N -1 1 394.443 0.833 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)cn1 ZINC000826270284 608477248 /nfs/dbraw/zinc/47/72/48/608477248.db2.gz SXKOLXNSUXKFET-CYBMUJFWSA-N -1 1 394.443 0.833 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824229045 608554566 /nfs/dbraw/zinc/55/45/66/608554566.db2.gz MSTFYVXGQIUQOL-UHFFFAOYSA-N -1 1 377.453 0.115 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824229045 608554567 /nfs/dbraw/zinc/55/45/67/608554567.db2.gz MSTFYVXGQIUQOL-UHFFFAOYSA-N -1 1 377.453 0.115 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000825923279 608556546 /nfs/dbraw/zinc/55/65/46/608556546.db2.gz FMYLLBMEAXSXRZ-OAHLLOKOSA-N -1 1 382.428 0.877 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000825923279 608556549 /nfs/dbraw/zinc/55/65/49/608556549.db2.gz FMYLLBMEAXSXRZ-OAHLLOKOSA-N -1 1 382.428 0.877 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000825934244 608556736 /nfs/dbraw/zinc/55/67/36/608556736.db2.gz LEVZWCIKBSAJQG-UHFFFAOYSA-N -1 1 396.415 0.469 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000825934244 608556738 /nfs/dbraw/zinc/55/67/38/608556738.db2.gz LEVZWCIKBSAJQG-UHFFFAOYSA-N -1 1 396.415 0.469 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H](O)CCc1ccccc1 ZINC000825923285 608558023 /nfs/dbraw/zinc/55/80/23/608558023.db2.gz FOEGGFGXWNKLNL-CQSZACIVSA-N -1 1 384.444 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H](O)CCc1ccccc1 ZINC000825923285 608558024 /nfs/dbraw/zinc/55/80/24/608558024.db2.gz FOEGGFGXWNKLNL-CQSZACIVSA-N -1 1 384.444 0.557 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1c[nH]c2ncccc12 ZINC000825930769 608558053 /nfs/dbraw/zinc/55/80/53/608558053.db2.gz YPOCLHYDSXWQBK-UHFFFAOYSA-N -1 1 380.416 0.682 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1c[nH]c2ncccc12 ZINC000825930769 608558054 /nfs/dbraw/zinc/55/80/54/608558054.db2.gz YPOCLHYDSXWQBK-UHFFFAOYSA-N -1 1 380.416 0.682 20 0 GCADMM CC(C)CN1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1=O ZINC000824261770 608558268 /nfs/dbraw/zinc/55/82/68/608558268.db2.gz PXYMRGVOLNSPQP-NSHDSACASA-N -1 1 389.464 0.068 20 0 GCADMM CC(C)CN1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1=O ZINC000824261770 608558270 /nfs/dbraw/zinc/55/82/70/608558270.db2.gz PXYMRGVOLNSPQP-NSHDSACASA-N -1 1 389.464 0.068 20 0 GCADMM C[C@H](OC[C@@H]1CCCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824728374 608558977 /nfs/dbraw/zinc/55/89/77/608558977.db2.gz FPLNALNIBZWHKF-RYUDHWBXSA-N -1 1 392.464 0.537 20 0 GCADMM C[C@H](OC[C@@H]1CCCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824728374 608558979 /nfs/dbraw/zinc/55/89/79/608558979.db2.gz FPLNALNIBZWHKF-RYUDHWBXSA-N -1 1 392.464 0.537 20 0 GCADMM COC(=O)CN(CCN1CCOCC1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826138376 608584380 /nfs/dbraw/zinc/58/43/80/608584380.db2.gz RPFMOGZDVRDTSO-UHFFFAOYSA-N -1 1 387.853 0.288 20 0 GCADMM COC(=O)CN(CCN1CCOCC1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826138376 608584382 /nfs/dbraw/zinc/58/43/82/608584382.db2.gz RPFMOGZDVRDTSO-UHFFFAOYSA-N -1 1 387.853 0.288 20 0 GCADMM COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826133583 608589111 /nfs/dbraw/zinc/58/91/11/608589111.db2.gz NNILMLXADOPALW-XHDPSFHLSA-N -1 1 380.430 0.662 20 0 GCADMM COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826133583 608589113 /nfs/dbraw/zinc/58/91/13/608589113.db2.gz NNILMLXADOPALW-XHDPSFHLSA-N -1 1 380.430 0.662 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(n2ccnn2)CC1 ZINC000826496034 608806450 /nfs/dbraw/zinc/80/64/50/608806450.db2.gz IZUSESIKBZCEEZ-UHFFFAOYSA-N -1 1 378.393 0.623 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(n2ccnn2)CC1 ZINC000826496034 608806454 /nfs/dbraw/zinc/80/64/54/608806454.db2.gz IZUSESIKBZCEEZ-UHFFFAOYSA-N -1 1 378.393 0.623 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)ccc1O ZINC000824999998 608808196 /nfs/dbraw/zinc/80/81/96/608808196.db2.gz MBPZFPVWICMWNU-SNVBAGLBSA-N -1 1 384.375 0.852 20 0 GCADMM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826481563 608824190 /nfs/dbraw/zinc/82/41/90/608824190.db2.gz AFUJLMBXIOVHHP-ZDUSSCGKSA-N -1 1 378.352 0.265 20 0 GCADMM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826481563 608824192 /nfs/dbraw/zinc/82/41/92/608824192.db2.gz AFUJLMBXIOVHHP-ZDUSSCGKSA-N -1 1 378.352 0.265 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2nccn3c(Br)cnc23)n1 ZINC000826357428 608835999 /nfs/dbraw/zinc/83/59/99/608835999.db2.gz FLVZKDJIAJSBPB-UHFFFAOYSA-N -1 1 389.177 0.658 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2nccn3c(Br)cnc23)n1 ZINC000826357428 608836003 /nfs/dbraw/zinc/83/60/03/608836003.db2.gz FLVZKDJIAJSBPB-UHFFFAOYSA-N -1 1 389.177 0.658 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000826430757 608888539 /nfs/dbraw/zinc/88/85/39/608888539.db2.gz KBUTWACARMOXBC-UHFFFAOYSA-N -1 1 380.412 0.484 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000826430757 608888540 /nfs/dbraw/zinc/88/85/40/608888540.db2.gz KBUTWACARMOXBC-UHFFFAOYSA-N -1 1 380.412 0.484 20 0 GCADMM CS(=O)(=O)NCCc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826223786 608894304 /nfs/dbraw/zinc/89/43/04/608894304.db2.gz ZTZKXHOBSOTYFM-UHFFFAOYSA-N -1 1 375.414 0.038 20 0 GCADMM CS(=O)(=O)NCCc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826223786 608894305 /nfs/dbraw/zinc/89/43/05/608894305.db2.gz ZTZKXHOBSOTYFM-UHFFFAOYSA-N -1 1 375.414 0.038 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000825930316 609158093 /nfs/dbraw/zinc/15/80/93/609158093.db2.gz SEEKNXWPXJTPMQ-UHFFFAOYSA-N -1 1 385.436 0.875 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000825930316 609158096 /nfs/dbraw/zinc/15/80/96/609158096.db2.gz SEEKNXWPXJTPMQ-UHFFFAOYSA-N -1 1 385.436 0.875 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2nccn2c1 ZINC000825929581 609158187 /nfs/dbraw/zinc/15/81/87/609158187.db2.gz JAJYOTRGPFEJTF-UHFFFAOYSA-N -1 1 381.404 0.916 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1nnc2ccccn21 ZINC000825930157 609158210 /nfs/dbraw/zinc/15/82/10/609158210.db2.gz QLGIQAOALZSNIZ-UHFFFAOYSA-N -1 1 382.392 0.311 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1nnc2ccccn21 ZINC000825930157 609158211 /nfs/dbraw/zinc/15/82/11/609158211.db2.gz QLGIQAOALZSNIZ-UHFFFAOYSA-N -1 1 382.392 0.311 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000825923523 609256964 /nfs/dbraw/zinc/25/69/64/609256964.db2.gz LDMPCPKSYVOYEM-GOSISDBHSA-N -1 1 384.444 0.861 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000825923523 609256965 /nfs/dbraw/zinc/25/69/65/609256965.db2.gz LDMPCPKSYVOYEM-GOSISDBHSA-N -1 1 384.444 0.861 20 0 GCADMM Cc1cc(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)[nH]1 ZINC000826257043 609270686 /nfs/dbraw/zinc/27/06/86/609270686.db2.gz LJIQEAFKKPFLOJ-GFCCVEGCSA-N -1 1 381.444 0.995 20 0 GCADMM Cc1cc(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)[nH]1 ZINC000826257043 609270688 /nfs/dbraw/zinc/27/06/88/609270688.db2.gz LJIQEAFKKPFLOJ-GFCCVEGCSA-N -1 1 381.444 0.995 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000826232649 609285611 /nfs/dbraw/zinc/28/56/11/609285611.db2.gz BNBGMLRRBLEEPO-SNVBAGLBSA-N -1 1 388.350 0.898 20 0 GCADMM C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824448630 609287163 /nfs/dbraw/zinc/28/71/63/609287163.db2.gz JEDCLVWQMJFPGP-VIFPVBQESA-N -1 1 393.404 0.811 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000826458266 609290021 /nfs/dbraw/zinc/29/00/21/609290021.db2.gz JUXDLEYRSJGKAV-SECBINFHSA-N -1 1 391.388 0.565 20 0 GCADMM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1C(=O)CCC1=O ZINC000824046257 609291914 /nfs/dbraw/zinc/29/19/14/609291914.db2.gz RQCZONUFTUDZPH-VIFPVBQESA-N -1 1 398.358 0.668 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCN(C)c1ccccc1 ZINC000825930360 609299257 /nfs/dbraw/zinc/29/92/57/609299257.db2.gz UNJNESITWSUTOT-UHFFFAOYSA-N -1 1 398.475 0.882 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCN(C)c1ccccc1 ZINC000825930360 609299258 /nfs/dbraw/zinc/29/92/58/609299258.db2.gz UNJNESITWSUTOT-UHFFFAOYSA-N -1 1 398.475 0.882 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000825929856 609299266 /nfs/dbraw/zinc/29/92/66/609299266.db2.gz MRBQOSZTPUYOOV-GFCCVEGCSA-N -1 1 397.443 0.750 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000825929856 609299267 /nfs/dbraw/zinc/29/92/67/609299267.db2.gz MRBQOSZTPUYOOV-GFCCVEGCSA-N -1 1 397.443 0.750 20 0 GCADMM COc1cccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826216449 609299896 /nfs/dbraw/zinc/29/98/96/609299896.db2.gz ZEHXQVAYJDBVLE-UHFFFAOYSA-N -1 1 399.459 0.997 20 0 GCADMM COc1cccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826216449 609299897 /nfs/dbraw/zinc/29/98/97/609299897.db2.gz ZEHXQVAYJDBVLE-UHFFFAOYSA-N -1 1 399.459 0.997 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1COc2ccccc21 ZINC000825929265 609300244 /nfs/dbraw/zinc/30/02/44/609300244.db2.gz DYLMBESUNUPSDJ-GFCCVEGCSA-N -1 1 383.416 0.880 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1COc2ccccc21 ZINC000825929265 609300246 /nfs/dbraw/zinc/30/02/46/609300246.db2.gz DYLMBESUNUPSDJ-GFCCVEGCSA-N -1 1 383.416 0.880 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@](C)(C(N)=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826229343 609301177 /nfs/dbraw/zinc/30/11/77/609301177.db2.gz APRGLQRCOFAWGA-QGZVFWFLSA-N -1 1 399.436 0.820 20 0 GCADMM CCCC[C@@H](COC)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825260164 609302029 /nfs/dbraw/zinc/30/20/29/609302029.db2.gz NLGRAVQHTOLXPQ-NSHDSACASA-N -1 1 379.469 0.951 20 0 GCADMM CCCC[C@@H](COC)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825260164 609302031 /nfs/dbraw/zinc/30/20/31/609302031.db2.gz NLGRAVQHTOLXPQ-NSHDSACASA-N -1 1 379.469 0.951 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCC(=O)NC(C)(C)C ZINC000825929224 609302866 /nfs/dbraw/zinc/30/28/66/609302866.db2.gz DAKFUYDNMVGBQD-UHFFFAOYSA-N -1 1 392.468 0.051 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCC(=O)NC(C)(C)C ZINC000825929224 609302867 /nfs/dbraw/zinc/30/28/67/609302867.db2.gz DAKFUYDNMVGBQD-UHFFFAOYSA-N -1 1 392.468 0.051 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1cccc(O)c1 ZINC000825930332 609303040 /nfs/dbraw/zinc/30/30/40/609303040.db2.gz SYLGWGKKNKISGO-UHFFFAOYSA-N -1 1 385.432 0.694 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1cccc(O)c1 ZINC000825930332 609303042 /nfs/dbraw/zinc/30/30/42/609303042.db2.gz SYLGWGKKNKISGO-UHFFFAOYSA-N -1 1 385.432 0.694 20 0 GCADMM CC(C)OC(=O)[C@@H](C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824305367 609303391 /nfs/dbraw/zinc/30/33/91/609303391.db2.gz OJFNACFPDQZKIX-JTQLQIEISA-N -1 1 393.452 0.334 20 0 GCADMM CC(C)OC(=O)[C@@H](C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824305367 609303393 /nfs/dbraw/zinc/30/33/93/609303393.db2.gz OJFNACFPDQZKIX-JTQLQIEISA-N -1 1 393.452 0.334 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(C(=O)OC)ccc2Cl)c1=O ZINC000825797131 609303994 /nfs/dbraw/zinc/30/39/94/609303994.db2.gz VFEVMZVAPJEEHX-UHFFFAOYSA-N -1 1 390.787 0.698 20 0 GCADMM C[C@H](O)CC(C)(C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824686347 609304258 /nfs/dbraw/zinc/30/42/58/609304258.db2.gz BURZNSICOCYCHR-JTQLQIEISA-N -1 1 379.469 0.543 20 0 GCADMM C[C@H](O)CC(C)(C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824686347 609304260 /nfs/dbraw/zinc/30/42/60/609304260.db2.gz BURZNSICOCYCHR-JTQLQIEISA-N -1 1 379.469 0.543 20 0 GCADMM COC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccco1 ZINC000826150480 609304433 /nfs/dbraw/zinc/30/44/33/609304433.db2.gz FNQYCTJSLVHNSI-LLVKDONJSA-N -1 1 389.420 0.727 20 0 GCADMM COC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccco1 ZINC000826150480 609304435 /nfs/dbraw/zinc/30/44/35/609304435.db2.gz FNQYCTJSLVHNSI-LLVKDONJSA-N -1 1 389.420 0.727 20 0 GCADMM COC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccco1 ZINC000826150481 609304644 /nfs/dbraw/zinc/30/46/44/609304644.db2.gz FNQYCTJSLVHNSI-NSHDSACASA-N -1 1 389.420 0.727 20 0 GCADMM COC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccco1 ZINC000826150481 609304645 /nfs/dbraw/zinc/30/46/45/609304645.db2.gz FNQYCTJSLVHNSI-NSHDSACASA-N -1 1 389.420 0.727 20 0 GCADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCOCC1 ZINC000824489638 609309428 /nfs/dbraw/zinc/30/94/28/609309428.db2.gz MHQCXCOCEGHAPI-JTQLQIEISA-N -1 1 377.453 0.561 20 0 GCADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCOCC1 ZINC000824489638 609309429 /nfs/dbraw/zinc/30/94/29/609309429.db2.gz MHQCXCOCEGHAPI-JTQLQIEISA-N -1 1 377.453 0.561 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1CCCn2ccnc21 ZINC000825929168 609310059 /nfs/dbraw/zinc/31/00/59/609310059.db2.gz CBVFDZRAGMFITK-LLVKDONJSA-N -1 1 399.463 0.520 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1CCCn2ccnc21 ZINC000825929168 609310061 /nfs/dbraw/zinc/31/00/61/609310061.db2.gz CBVFDZRAGMFITK-LLVKDONJSA-N -1 1 399.463 0.520 20 0 GCADMM NC(=O)N1CCC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000826392077 609312276 /nfs/dbraw/zinc/31/22/76/609312276.db2.gz MUKGXQNQYBLPDX-SNVBAGLBSA-N -1 1 399.390 0.921 20 0 GCADMM NC(=O)N1CCC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826392227 609313364 /nfs/dbraw/zinc/31/33/64/609313364.db2.gz QZVNZOUJIKENKB-NSHDSACASA-N -1 1 385.363 0.673 20 0 GCADMM O=C(CN1CCCNC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826410577 609313546 /nfs/dbraw/zinc/31/35/46/609313546.db2.gz RAQRYPDANIYWBD-UHFFFAOYSA-N -1 1 385.363 0.545 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCOc3c(F)cccc32)n(C)c1=O ZINC000826356055 609324618 /nfs/dbraw/zinc/32/46/18/609324618.db2.gz YTKHVBOBHVQXLX-LLVKDONJSA-N -1 1 387.375 0.729 20 0 GCADMM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826129385 609328799 /nfs/dbraw/zinc/32/87/99/609328799.db2.gz QETZADBLUTUCGB-GXSJLCMTSA-N -1 1 399.404 0.347 20 0 GCADMM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826129385 609328801 /nfs/dbraw/zinc/32/88/01/609328801.db2.gz QETZADBLUTUCGB-GXSJLCMTSA-N -1 1 399.404 0.347 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)c2ncn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826395270 609333284 /nfs/dbraw/zinc/33/32/84/609333284.db2.gz UWJBOYVIBUWLOH-UHFFFAOYSA-N -1 1 379.388 0.115 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)c2ncn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826395270 609333285 /nfs/dbraw/zinc/33/32/85/609333285.db2.gz UWJBOYVIBUWLOH-UHFFFAOYSA-N -1 1 379.388 0.115 20 0 GCADMM C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824899439 609352332 /nfs/dbraw/zinc/35/23/32/609352332.db2.gz JWKANLZDMDYVEV-NXEZZACHSA-N -1 1 384.375 0.902 20 0 GCADMM CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825121415 609353484 /nfs/dbraw/zinc/35/34/84/609353484.db2.gz ROCZXWCMJYVYPA-VIFPVBQESA-N -1 1 388.363 0.017 20 0 GCADMM CN1CCC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1=O ZINC000826029153 609356406 /nfs/dbraw/zinc/35/64/06/609356406.db2.gz POPGLWSHMVTDGP-LLVKDONJSA-N -1 1 399.390 0.934 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCO[C@@H](CO)C1 ZINC000826458056 609360171 /nfs/dbraw/zinc/36/01/71/609360171.db2.gz ARDYGNJPYPXEPP-SNVBAGLBSA-N -1 1 388.363 0.417 20 0 GCADMM C[C@@H](Cn1cncn1)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824466577 609360644 /nfs/dbraw/zinc/36/06/44/609360644.db2.gz YKIFUQPKWIFDQB-JTQLQIEISA-N -1 1 397.378 0.993 20 0 GCADMM CNC(=O)[C@H]1CCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826059991 609364152 /nfs/dbraw/zinc/36/41/52/609364152.db2.gz DQSLMUDRJYLSBL-GFCCVEGCSA-N -1 1 399.390 0.934 20 0 GCADMM O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000826488487 609366524 /nfs/dbraw/zinc/36/65/24/609366524.db2.gz RFRNGQYPVRRZRX-GFCCVEGCSA-N -1 1 378.462 0.488 20 0 GCADMM O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000826488487 609366527 /nfs/dbraw/zinc/36/65/27/609366527.db2.gz RFRNGQYPVRRZRX-GFCCVEGCSA-N -1 1 378.462 0.488 20 0 GCADMM CC[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825121399 609368036 /nfs/dbraw/zinc/36/80/36/609368036.db2.gz ROCZXWCMJYVYPA-SECBINFHSA-N -1 1 388.363 0.017 20 0 GCADMM CCc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc(=O)[nH]1 ZINC000825694445 609388141 /nfs/dbraw/zinc/38/81/41/609388141.db2.gz QAPGJDSXBZKERZ-NSHDSACASA-N -1 1 395.427 0.671 20 0 GCADMM CCc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc(=O)[nH]1 ZINC000825694445 609388144 /nfs/dbraw/zinc/38/81/44/609388144.db2.gz QAPGJDSXBZKERZ-NSHDSACASA-N -1 1 395.427 0.671 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](CO)c1cnn(C)c1 ZINC000826340652 609393162 /nfs/dbraw/zinc/39/31/62/609393162.db2.gz GQBIPMUNKZKOEC-GFCCVEGCSA-N -1 1 382.384 0.756 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](CO)c1cnn(C)c1 ZINC000826340652 609393163 /nfs/dbraw/zinc/39/31/63/609393163.db2.gz GQBIPMUNKZKOEC-GFCCVEGCSA-N -1 1 382.384 0.756 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000825356921 609394435 /nfs/dbraw/zinc/39/44/35/609394435.db2.gz QENDVSSKHXXVIL-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000825356921 609394437 /nfs/dbraw/zinc/39/44/37/609394437.db2.gz QENDVSSKHXXVIL-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1CC2(CCCC2)OC1=O ZINC000824999816 609425277 /nfs/dbraw/zinc/42/52/77/609425277.db2.gz KIKPIEVWJFREGT-ZDUSSCGKSA-N -1 1 399.459 0.890 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1CC2(CCCC2)OC1=O ZINC000824999816 609425279 /nfs/dbraw/zinc/42/52/79/609425279.db2.gz KIKPIEVWJFREGT-ZDUSSCGKSA-N -1 1 399.459 0.890 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCCC(=O)OCc1ccccc1 ZINC000826425885 609434468 /nfs/dbraw/zinc/43/44/68/609434468.db2.gz YHBXZXIVIOVGQW-UHFFFAOYSA-N -1 1 384.400 0.488 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826495228 609447888 /nfs/dbraw/zinc/44/78/88/609447888.db2.gz HUWXZSMHCRCKAL-LLVKDONJSA-N -1 1 392.420 0.698 20 0 GCADMM O=S(=O)(C1CN(c2ccc(-c3nnn[n-]3)nn2)C1)N1CCc2ccccc21 ZINC000826484104 609494059 /nfs/dbraw/zinc/49/40/59/609494059.db2.gz NPDPZQOOVDVJFL-UHFFFAOYSA-N -1 1 384.425 0.238 20 0 GCADMM O=S(=O)(C1CN(c2ccc(-c3nn[n-]n3)nn2)C1)N1CCc2ccccc21 ZINC000826484104 609494060 /nfs/dbraw/zinc/49/40/60/609494060.db2.gz NPDPZQOOVDVJFL-UHFFFAOYSA-N -1 1 384.425 0.238 20 0 GCADMM Cc1nc([C@H]2COCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC000826324849 609497315 /nfs/dbraw/zinc/49/73/15/609497315.db2.gz GYXXBCAMIGSMHI-SNVBAGLBSA-N -1 1 395.376 0.459 20 0 GCADMM Cc1nc([C@H]2COCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)no1 ZINC000826324849 609497317 /nfs/dbraw/zinc/49/73/17/609497317.db2.gz GYXXBCAMIGSMHI-SNVBAGLBSA-N -1 1 395.376 0.459 20 0 GCADMM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000825770541 609498633 /nfs/dbraw/zinc/49/86/33/609498633.db2.gz AUAYYXBPNGABTH-VIFPVBQESA-N -1 1 392.420 0.453 20 0 GCADMM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000825770541 609498637 /nfs/dbraw/zinc/49/86/37/609498637.db2.gz AUAYYXBPNGABTH-VIFPVBQESA-N -1 1 392.420 0.453 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cncc(O)c1 ZINC000824999209 609501252 /nfs/dbraw/zinc/50/12/52/609501252.db2.gz DWAHGLGPDDLBAZ-ZZKXABKFSA-N -1 1 393.411 0.508 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cncc(O)c1 ZINC000824999209 609501253 /nfs/dbraw/zinc/50/12/53/609501253.db2.gz DWAHGLGPDDLBAZ-ZZKXABKFSA-N -1 1 393.411 0.508 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826496542 609572293 /nfs/dbraw/zinc/57/22/93/609572293.db2.gz ZNKLNMDUGWGWJR-STQMWFEESA-N -1 1 396.448 0.226 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826496542 609572296 /nfs/dbraw/zinc/57/22/96/609572296.db2.gz ZNKLNMDUGWGWJR-STQMWFEESA-N -1 1 396.448 0.226 20 0 GCADMM CN(C)c1ncc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000825883773 609573911 /nfs/dbraw/zinc/57/39/11/609573911.db2.gz NCAHWINWXLZYIF-UHFFFAOYSA-N -1 1 392.420 0.683 20 0 GCADMM COc1cccc([C@H]2C[C@@H](C)CN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000826214914 609593232 /nfs/dbraw/zinc/59/32/32/609593232.db2.gz ASAARNIRHBITNC-BXUZGUMPSA-N -1 1 397.439 0.860 20 0 GCADMM O=S(=O)(NC[C@@H]1CCCCS1(=O)=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490049 609610626 /nfs/dbraw/zinc/61/06/26/609610626.db2.gz IODDXSMUJCBSRS-VIFPVBQESA-N -1 1 389.434 0.251 20 0 GCADMM O=S(=O)(NC[C@@H]1CCCCS1(=O)=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490049 609610628 /nfs/dbraw/zinc/61/06/28/609610628.db2.gz IODDXSMUJCBSRS-VIFPVBQESA-N -1 1 389.434 0.251 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000824472576 609638552 /nfs/dbraw/zinc/63/85/52/609638552.db2.gz WWFUPATYSCNPIH-MNOVXSKESA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000824472576 609638553 /nfs/dbraw/zinc/63/85/53/609638553.db2.gz WWFUPATYSCNPIH-MNOVXSKESA-N -1 1 390.448 0.688 20 0 GCADMM CCS(=O)(=O)N(C)C1CCN(CC(=O)N[N-]C(=O)c2cccs2)CC1 ZINC000066879628 638436699 /nfs/dbraw/zinc/43/66/99/638436699.db2.gz RPQBZZCKFKXKBL-UHFFFAOYSA-N -1 1 388.515 0.255 20 0 GCADMM Cn1ncc2c1nc(COC(=O)c1sccc1[N-]S(C)(=O)=O)[nH]c2=O ZINC000054708641 638476659 /nfs/dbraw/zinc/47/66/59/638476659.db2.gz WRQSEYPSCKBPGD-UHFFFAOYSA-N -1 1 383.411 0.447 20 0 GCADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000866859650 638524419 /nfs/dbraw/zinc/52/44/19/638524419.db2.gz OFRDNSGZGDZWHR-IQMFZBJNSA-N -1 1 375.516 0.576 20 0 GCADMM C[C@H](C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)S(C)(=O)=O ZINC000051602123 638537589 /nfs/dbraw/zinc/53/75/89/638537589.db2.gz RGSKXTSKXNAKOI-MRVPVSSYSA-N -1 1 379.337 0.521 20 0 GCADMM CC1(C)NC(=O)N(CCCOC(=O)c2sccc2[N-]S(C)(=O)=O)C1=O ZINC000051695281 638540062 /nfs/dbraw/zinc/54/00/62/638540062.db2.gz BKKXFTTZSAGOPC-UHFFFAOYSA-N -1 1 389.455 0.997 20 0 GCADMM CCC[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000262328472 638559353 /nfs/dbraw/zinc/55/93/53/638559353.db2.gz XNSAQTHCRVOOTP-RDBSUJKOSA-N -1 1 376.475 0.024 20 0 GCADMM CC1(C)[C@H](N2CCOCC2)C[C@@H]1[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000867451038 638609891 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/nfs/dbraw/zinc/93/13/52/1187931352.db2.gz TWTCWWRERHAJQI-HZPDHXFCSA-N -1 1 380.466 0.609 20 0 GCADMM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1)c1cc(=O)n2[n-]cnc2n1 ZINC000973335473 1187949943 /nfs/dbraw/zinc/94/99/43/1187949943.db2.gz YFENIHGQMWFENY-XVIXHAIJSA-N -1 1 382.424 0.397 20 0 GCADMM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000647659023 1187977222 /nfs/dbraw/zinc/97/72/22/1187977222.db2.gz LEMQMXZNPBVHTR-LLVKDONJSA-N -1 1 385.380 0.987 20 0 GCADMM O=C([O-])C1(CNC(=O)C(=O)NCc2n[nH]c(COc3ccccc3)n2)CCC1 ZINC000659657713 1187988386 /nfs/dbraw/zinc/98/83/86/1187988386.db2.gz YPRPPYIJZQYZGL-UHFFFAOYSA-N -1 1 387.396 0.371 20 0 GCADMM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1)CC(=O)[O-] ZINC000659667650 1187989444 /nfs/dbraw/zinc/98/94/44/1187989444.db2.gz MZZAGIFMAPLBRA-KRWDZBQOSA-N -1 1 397.516 0.810 20 0 GCADMM CCCCN1C(=O)C[C@H](C(=O)NN2CC(=O)[N-]C2=O)[C@@H]1c1ccc(OC)cc1 ZINC000376704441 1188022734 /nfs/dbraw/zinc/02/27/34/1188022734.db2.gz YJWPDVIAYAECNY-YOEHRIQHSA-N -1 1 388.424 0.968 20 0 GCADMM O=S(=O)([N-]c1ccc(Cc2nn[nH]n2)cc1)c1cccc(-n2cnnn2)c1 ZINC000472794834 1188070525 /nfs/dbraw/zinc/07/05/25/1188070525.db2.gz UPSIBYVETAUODJ-UHFFFAOYSA-N -1 1 383.397 0.567 20 0 GCADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cc3nn[nH]n3)cc2)c1 ZINC000472794707 1188070770 /nfs/dbraw/zinc/07/07/70/1188070770.db2.gz SZLCXYSKLMCOFP-UHFFFAOYSA-N -1 1 394.438 0.239 20 0 GCADMM CNC(=O)Cn1cnc([N-]C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)n1 ZINC000460586671 1188093307 /nfs/dbraw/zinc/09/33/07/1188093307.db2.gz RWJPKVVKHNGDBP-UHFFFAOYSA-N -1 1 384.352 0.703 20 0 GCADMM Cn1nnc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000377669800 1188101987 /nfs/dbraw/zinc/10/19/87/1188101987.db2.gz PASXYMZCJJIKBA-OAHLLOKOSA-N -1 1 380.408 0.990 20 0 GCADMM CCOCCS(=O)(=O)[N-]Cc1nc(CCn2nnc3ccccc32)no1 ZINC000460735047 1188150072 /nfs/dbraw/zinc/15/00/72/1188150072.db2.gz XXVNMOLPDLFNHG-UHFFFAOYSA-N -1 1 380.430 0.513 20 0 GCADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)N1CCOCC1 ZINC000549383277 1189393287 /nfs/dbraw/zinc/39/32/87/1189393287.db2.gz WCKMPPBMZPSTQQ-LLVKDONJSA-N -1 1 398.407 0.601 20 0 GCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc(-n2cncn2)c1 ZINC000378218090 1189444785 /nfs/dbraw/zinc/44/47/85/1189444785.db2.gz ARWCMVZEXGCQLA-UHFFFAOYSA-N -1 1 376.398 0.646 20 0 GCADMM O=C([O-])[C@@H]1COCCN1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000780391621 1189740624 /nfs/dbraw/zinc/74/06/24/1189740624.db2.gz FRMBZARYDPXVBH-KRWDZBQOSA-N -1 1 376.457 0.694 20 0 GCADMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000025794725 1189777697 /nfs/dbraw/zinc/77/76/97/1189777697.db2.gz PEPALCHCVRAQAY-UHFFFAOYSA-N -1 1 388.468 0.192 20 0 GCADMM Cc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)OCO2 ZINC000511777993 1189871293 /nfs/dbraw/zinc/87/12/93/1189871293.db2.gz SWOKBJNBVPYZLF-UHFFFAOYSA-N -1 1 381.366 0.333 20 0 GCADMM Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c(C)c1 ZINC000468804276 1189873541 /nfs/dbraw/zinc/87/35/41/1189873541.db2.gz CERKKRDLBKBXOK-UHFFFAOYSA-N -1 1 379.438 0.633 20 0 GCADMM O=C(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N[N-]C(=O)c1cccs1 ZINC000026488620 1189914123 /nfs/dbraw/zinc/91/41/23/1189914123.db2.gz KFANXJFGIOYYAE-UHFFFAOYSA-N -1 1 390.425 0.635 20 0 GCADMM CN(C)[S@](=O)(=NS(=O)(=O)[N-]Cc1nncn1C1CC1)c1ccccc1 ZINC001211662192 1189937083 /nfs/dbraw/zinc/93/70/83/1189937083.db2.gz VWNFMLUUTPUPKF-XMMPIXPASA-N -1 1 384.487 0.951 20 0 GCADMM O=S(=O)(CCCS(=O)(=O)N[C@@]12C[C@@H]1CCC2)[N-]c1nnc2ccccn21 ZINC000662860611 1190056845 /nfs/dbraw/zinc/05/68/45/1190056845.db2.gz MBNWAMBHZQUNPC-WFASDCNBSA-N -1 1 399.498 0.723 20 0 GCADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 ZINC000512776796 1193764726 /nfs/dbraw/zinc/76/47/26/1193764726.db2.gz UEANSDZSRSLXEJ-UHFFFAOYSA-N -1 1 384.389 0.918 20 0 GCADMM COC(=O)[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000008144697 1193814183 /nfs/dbraw/zinc/81/41/83/1193814183.db2.gz AMTCSMSDMZLEND-HNNXBMFYSA-N -1 1 396.396 0.890 20 0 GCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(CN2CCOCC2)cc1 ZINC000509894785 1193832442 /nfs/dbraw/zinc/83/24/42/1193832442.db2.gz BMGGTZXAVKDSHN-UHFFFAOYSA-N -1 1 384.436 0.666 20 0 GCADMM NC(=O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000008162163 1193858968 /nfs/dbraw/zinc/85/89/68/1193858968.db2.gz PATSAMGHZGPPMA-UHFFFAOYSA-N -1 1 377.378 0.431 20 0 GCADMM CC(C)(C)OC(=O)NC1CC2(CC(NC(=O)CCn3cc[n-]c(=O)c3=O)C2)C1 ZINC001648949652 1193864294 /nfs/dbraw/zinc/86/42/94/1193864294.db2.gz QAZFJIANLCKXPH-UHFFFAOYSA-N -1 1 392.456 0.879 20 0 GCADMM CCc1cc(NC(=O)C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)n(C)n1 ZINC000509906754 1193869783 /nfs/dbraw/zinc/86/97/83/1193869783.db2.gz BZRJTHJPSFPMOA-UHFFFAOYSA-N -1 1 395.441 0.940 20 0 GCADMM O=C(NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000982674657 1193870891 /nfs/dbraw/zinc/87/08/91/1193870891.db2.gz WNECYIJLRLQKHG-XJIUQZFPSA-N -1 1 375.425 0.417 20 0 GCADMM O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000614386286 1193873166 /nfs/dbraw/zinc/87/31/66/1193873166.db2.gz CIKSGIFRMRSSAG-VIFPVBQESA-N -1 1 398.379 0.940 20 0 GCADMM NS(=O)(=O)Cc1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)nc1 ZINC001167935876 1193906676 /nfs/dbraw/zinc/90/66/76/1193906676.db2.gz TYUSBOHFLLCOBF-UHFFFAOYSA-N -1 1 383.366 0.955 20 0 GCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000729288156 1193910948 /nfs/dbraw/zinc/91/09/48/1193910948.db2.gz OBOWQBIHQXGFJV-NSHDSACASA-N -1 1 377.401 0.760 20 0 GCADMM O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000614473086 1193918514 /nfs/dbraw/zinc/91/85/14/1193918514.db2.gz HBEMHBAEKOIIFZ-UHFFFAOYSA-N -1 1 398.379 0.940 20 0 GCADMM CC(=O)NCCN(Cc1ccsc1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000513324063 1193938370 /nfs/dbraw/zinc/93/83/70/1193938370.db2.gz WIVCNFXDMRKDQJ-UHFFFAOYSA-N -1 1 376.438 0.743 20 0 GCADMM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026253635 1193955757 /nfs/dbraw/zinc/95/57/57/1193955757.db2.gz VWSXTLDJMWIFLJ-UHFFFAOYSA-N -1 1 394.313 0.834 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000614491347 1193958886 /nfs/dbraw/zinc/95/88/86/1193958886.db2.gz SNGWODVEENFJEF-ZDUSSCGKSA-N -1 1 383.470 0.224 20 0 GCADMM C[C@@]1(c2cccc(NC(=O)CNC(=O)c3ncccc3[O-])c2)NC(=O)NC1=O ZINC000509936103 1193960533 /nfs/dbraw/zinc/96/05/33/1193960533.db2.gz ZQBCPFGBVAFMMV-SFHVURJKSA-N -1 1 383.364 0.210 20 0 GCADMM C[C@@H]1CN(C(=O)CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)C[C@@H](C)O1 ZINC000280006156 1193972418 /nfs/dbraw/zinc/97/24/18/1193972418.db2.gz NGEQPPCVAWVWKQ-CHWSQXEVSA-N -1 1 378.454 0.805 20 0 GCADMM C[C@@H]1CN(C(=O)CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)C[C@@H](C)O1 ZINC000280006156 1193972421 /nfs/dbraw/zinc/97/24/21/1193972421.db2.gz NGEQPPCVAWVWKQ-CHWSQXEVSA-N -1 1 378.454 0.805 20 0 GCADMM O=C(CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])NCC(F)(F)F ZINC000501591246 1194198391 /nfs/dbraw/zinc/19/83/91/1194198391.db2.gz TVTATKXZFMEMBE-UHFFFAOYSA-N -1 1 395.359 0.840 20 0 GCADMM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000420588390 1194244087 /nfs/dbraw/zinc/24/40/87/1194244087.db2.gz SKSWRBNZDYZOJC-GOSISDBHSA-N -1 1 387.396 0.323 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)co1 ZINC000501943998 1194249477 /nfs/dbraw/zinc/24/94/77/1194249477.db2.gz HIKHEALVCDKEKI-LLVKDONJSA-N -1 1 384.414 0.908 20 0 GCADMM CNC(=O)c1cccc(C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)c1 ZINC000501934182 1194250700 /nfs/dbraw/zinc/25/07/00/1194250700.db2.gz IADQPBPHGVZZLT-UHFFFAOYSA-N -1 1 398.466 0.225 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)o1 ZINC000269107652 1194295942 /nfs/dbraw/zinc/29/59/42/1194295942.db2.gz BFIIAXIRDSPBEY-UHFFFAOYSA-N -1 1 379.442 0.557 20 0 GCADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000509950181 1194302424 /nfs/dbraw/zinc/30/24/24/1194302424.db2.gz ZBCPBSNXTSZRSR-NSHDSACASA-N -1 1 377.422 0.798 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)o1 ZINC000269809950 1194334093 /nfs/dbraw/zinc/33/40/93/1194334093.db2.gz FCOBZJQYXFIWRW-SNVBAGLBSA-N -1 1 395.401 0.483 20 0 GCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccnc2ccncc21 ZINC000502857028 1194363448 /nfs/dbraw/zinc/36/34/48/1194363448.db2.gz QWAATYLHIWAGNN-UHFFFAOYSA-N -1 1 393.450 0.809 20 0 GCADMM COc1ccc(NC(=O)C(=O)N2CCOC3(CCC3)C2)cc1[N-]S(C)(=O)=O ZINC000271733877 1194408206 /nfs/dbraw/zinc/40/82/06/1194408206.db2.gz CQTJBIILUGFURF-UHFFFAOYSA-N -1 1 397.453 0.787 20 0 GCADMM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000271753871 1194410363 /nfs/dbraw/zinc/41/03/63/1194410363.db2.gz ZSHCOANQKDNHCH-ABAIWWIYSA-N -1 1 397.453 0.147 20 0 GCADMM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000272000636 1194429329 /nfs/dbraw/zinc/42/93/29/1194429329.db2.gz UCWSDUOIDRBHPX-HZMBPMFUSA-N -1 1 385.417 0.278 20 0 GCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000272315576 1194449360 /nfs/dbraw/zinc/44/93/60/1194449360.db2.gz UVYYDGMKNVPUGC-CYBMUJFWSA-N -1 1 376.413 0.220 20 0 GCADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCCO)cc2)cn1 ZINC000273468352 1194565764 /nfs/dbraw/zinc/56/57/64/1194565764.db2.gz PKSKEJJUKZDAJJ-UHFFFAOYSA-N -1 1 379.438 0.932 20 0 GCADMM Cc1oc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1S(=O)(=O)N1CCCC1 ZINC000273487727 1194566891 /nfs/dbraw/zinc/56/68/91/1194566891.db2.gz KCILKSDDYWQUQG-JTQLQIEISA-N -1 1 382.446 0.761 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1nn[n-]n1 ZINC000273512629 1194567956 /nfs/dbraw/zinc/56/79/56/1194567956.db2.gz NZFGVTAPXVPVKD-WCQYABFASA-N -1 1 398.423 0.850 20 0 GCADMM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C[C@H](C)c2nn[n-]n2)s1 ZINC000273515766 1194568344 /nfs/dbraw/zinc/56/83/44/1194568344.db2.gz ONRUIUSHQRRMGM-CMPLNLGQSA-N -1 1 398.514 0.985 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1nn[n-]n1 ZINC000273546737 1194570848 /nfs/dbraw/zinc/57/08/48/1194570848.db2.gz USAWCITZPCHAFL-DDTOSNHZSA-N -1 1 392.460 0.744 20 0 GCADMM COCCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000273601361 1194575524 /nfs/dbraw/zinc/57/55/24/1194575524.db2.gz YPDMQLLJTPJKIT-LLVKDONJSA-N -1 1 382.446 0.000 20 0 GCADMM Cc1cc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)cc(C(=O)[O-])c1F ZINC000273658187 1194581435 /nfs/dbraw/zinc/58/14/35/1194581435.db2.gz HPPAJCHQAJDQMY-UHFFFAOYSA-N -1 1 387.433 0.227 20 0 GCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000509964447 1194638569 /nfs/dbraw/zinc/63/85/69/1194638569.db2.gz ROBFZAPBVCNETL-UHFFFAOYSA-N -1 1 394.313 0.895 20 0 GCADMM COc1ccnc(N2CCN(C(=O)C(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)CC2)c1 ZINC000422808473 1194699884 /nfs/dbraw/zinc/69/98/84/1194699884.db2.gz QLJAINYXLHQQOH-KGLIPLIRSA-N -1 1 390.440 0.308 20 0 GCADMM CCC[C@@H]1CNCCN1C(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000423733133 1194792173 /nfs/dbraw/zinc/79/21/73/1194792173.db2.gz BGEFBFVLHROZSU-LLVKDONJSA-N -1 1 377.470 0.956 20 0 GCADMM CCC[C@H]1CNCCN1C(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000423733134 1194792194 /nfs/dbraw/zinc/79/21/94/1194792194.db2.gz BGEFBFVLHROZSU-NSHDSACASA-N -1 1 377.470 0.956 20 0 GCADMM CS(=O)(=O)c1ccc(CNC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)cc1 ZINC000424211900 1194804902 /nfs/dbraw/zinc/80/49/02/1194804902.db2.gz YULMWKUKOLWHNG-UHFFFAOYSA-N -1 1 398.466 0.176 20 0 GCADMM COC(=O)c1ccc(-c2noc(C[N-]S(=O)(=O)c3cnn(C)c3)n2)cc1 ZINC000504778674 1194805588 /nfs/dbraw/zinc/80/55/88/1194805588.db2.gz XTDAGNZNKUQQNS-UHFFFAOYSA-N -1 1 377.382 0.735 20 0 GCADMM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1)C(=O)[O-] ZINC000424484385 1194815402 /nfs/dbraw/zinc/81/54/02/1194815402.db2.gz UIJUGCYUSLATQW-HZPDHXFCSA-N -1 1 383.489 0.420 20 0 GCADMM CCC(CC)(CNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1)C(=O)[O-] ZINC000424497720 1194818047 /nfs/dbraw/zinc/81/80/47/1194818047.db2.gz VUEZFWXYGRGFPR-UHFFFAOYSA-N -1 1 383.489 0.564 20 0 GCADMM CCC(CC)(CNC(=O)C(=O)N1CCC(CN2CCOCC2)CC1)C(=O)[O-] ZINC000424514059 1194820650 /nfs/dbraw/zinc/82/06/50/1194820650.db2.gz ZAKSZWBASWFGIE-UHFFFAOYSA-N -1 1 383.489 0.564 20 0 GCADMM CN1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C(=O)NCC(=O)[O-])cc3)[C@@H]2C1 ZINC000424606411 1194825929 /nfs/dbraw/zinc/82/59/29/1194825929.db2.gz YGRJUGVUGZVWFE-DZGCQCFKSA-N -1 1 381.454 0.216 20 0 GCADMM COc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCOC2)ccc1[N-]S(C)(=O)=O ZINC000505279910 1194832426 /nfs/dbraw/zinc/83/24/26/1194832426.db2.gz HBSWQVBOTOXXDD-VXGBXAGGSA-N -1 1 399.469 0.937 20 0 GCADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H](C)C(=O)N(C)C)c2)n1 ZINC000434263621 1194838679 /nfs/dbraw/zinc/83/86/79/1194838679.db2.gz JHKHOJMUDVMCEF-NSHDSACASA-N -1 1 388.428 0.924 20 0 GCADMM CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC001269827669 1194856072 /nfs/dbraw/zinc/85/60/72/1194856072.db2.gz CWYMJRYHHRPQDL-CHWSQXEVSA-N -1 1 381.454 0.427 20 0 GCADMM 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CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001187735359 1205967959 /nfs/dbraw/zinc/96/79/59/1205967959.db2.gz MWOGUGJFPIATCI-GXFFZTMASA-N -1 1 380.492 0.049 20 0 GCADMM C[S@@](=O)c1ccccc1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001187864248 1205970099 /nfs/dbraw/zinc/97/00/99/1205970099.db2.gz BEFZDXMCTJTLEH-JGTBNHKDSA-N -1 1 392.437 0.079 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1nnsc1C1CC1 ZINC001188099749 1205975228 /nfs/dbraw/zinc/97/52/28/1205975228.db2.gz SDLVFRWSBCGPCM-JTQLQIEISA-N -1 1 378.414 0.071 20 0 GCADMM COC(=O)CCS(=O)(=O)[N-]c1cnn(C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001188352925 1205981575 /nfs/dbraw/zinc/98/15/75/1205981575.db2.gz OXULVBYSXSILKK-UHFFFAOYSA-N -1 1 388.446 0.980 20 0 GCADMM Cn1ncc(S(=O)(=O)[N-]CCC(=O)NCc2ccccn2)c1C(F)(F)F ZINC001188578739 1205988105 /nfs/dbraw/zinc/98/81/05/1205988105.db2.gz NRPFRDZNYMUVPE-UHFFFAOYSA-N -1 1 391.375 0.819 20 0 GCADMM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C2=O)o1 ZINC001188717077 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RPHVGQUCYSRDAQ-UHFFFAOYSA-N -1 1 383.807 0.679 20 0 GCADMM CC(=O)NCc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000819810526 945294776 /nfs/dbraw/zinc/29/47/76/945294776.db2.gz LXGFLSKJJYIKCA-UHFFFAOYSA-N -1 1 397.443 0.513 20 0 GCADMM CC(=O)NCc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000819810526 945294785 /nfs/dbraw/zinc/29/47/85/945294785.db2.gz LXGFLSKJJYIKCA-UHFFFAOYSA-N -1 1 397.443 0.513 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819933059 945314219 /nfs/dbraw/zinc/31/42/19/945314219.db2.gz DLIVBMXTGRKBSE-CYBMUJFWSA-N -1 1 390.400 0.941 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819933059 945314230 /nfs/dbraw/zinc/31/42/30/945314230.db2.gz DLIVBMXTGRKBSE-CYBMUJFWSA-N -1 1 390.400 0.941 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CCN1CCCC1=O ZINC001571258852 945365887 /nfs/dbraw/zinc/36/58/87/945365887.db2.gz DELBVOJXDXVYSD-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CCN1CCCC1=O ZINC001571258852 945365897 /nfs/dbraw/zinc/36/58/97/945365897.db2.gz DELBVOJXDXVYSD-NWDGAFQWSA-N -1 1 385.432 0.071 20 0 GCADMM CCN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)CC(=O)N(C)C ZINC000736511523 944839004 /nfs/dbraw/zinc/83/90/04/944839004.db2.gz SBRBLHIBTDWINP-UHFFFAOYSA-N -1 1 397.443 0.401 20 0 GCADMM CCN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC(=O)N(C)C ZINC000736511523 944839008 /nfs/dbraw/zinc/83/90/08/944839008.db2.gz SBRBLHIBTDWINP-UHFFFAOYSA-N -1 1 397.443 0.401 20 0 GCADMM CN(C(=O)[C@@H]1CCC(=O)N1)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571259040 945374258 /nfs/dbraw/zinc/37/42/58/945374258.db2.gz GNPURWYILOWFNQ-MCIGGMRASA-N -1 1 385.432 0.117 20 0 GCADMM CN(C(=O)[C@@H]1CCC(=O)N1)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571259040 945374268 /nfs/dbraw/zinc/37/42/68/945374268.db2.gz GNPURWYILOWFNQ-MCIGGMRASA-N -1 1 385.432 0.117 20 0 GCADMM CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571259484 945389660 /nfs/dbraw/zinc/38/96/60/945389660.db2.gz GSWCMRJSXPILJB-NQBHXWOUSA-N -1 1 385.432 0.117 20 0 GCADMM CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571259484 945389669 /nfs/dbraw/zinc/38/96/69/945389669.db2.gz GSWCMRJSXPILJB-NQBHXWOUSA-N -1 1 385.432 0.117 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)Cc1cscn1 ZINC001571261313 945425461 /nfs/dbraw/zinc/42/54/61/945425461.db2.gz CVKJSRSYBUOKCS-LLVKDONJSA-N -1 1 385.457 0.687 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)Cc1cscn1 ZINC001571261313 945425468 /nfs/dbraw/zinc/42/54/68/945425468.db2.gz CVKJSRSYBUOKCS-LLVKDONJSA-N -1 1 385.457 0.687 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC001571261454 945426726 /nfs/dbraw/zinc/42/67/26/945426726.db2.gz FTGCBQNLPGYKON-GHMZBOCLSA-N -1 1 385.457 0.888 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)CCc2cncs2)C1 ZINC001571261571 945429631 /nfs/dbraw/zinc/42/96/31/945429631.db2.gz GREYKFJXEMGHOR-LLVKDONJSA-N -1 1 385.457 0.783 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)CCc2cncs2)C1 ZINC001571261571 945429635 /nfs/dbraw/zinc/42/96/35/945429635.db2.gz GREYKFJXEMGHOR-LLVKDONJSA-N -1 1 385.457 0.783 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CCc2cscn2)C1 ZINC001571261823 945431239 /nfs/dbraw/zinc/43/12/39/945431239.db2.gz JNHSZHQKTMOQLT-GFCCVEGCSA-N -1 1 385.457 0.783 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)CCc2cscn2)C1 ZINC001571261823 945431243 /nfs/dbraw/zinc/43/12/43/945431243.db2.gz JNHSZHQKTMOQLT-GFCCVEGCSA-N -1 1 385.457 0.783 20 0 GCADMM Cc1nsc(C)c1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571262984 945447322 /nfs/dbraw/zinc/44/73/22/945447322.db2.gz DUMREWSIXGOBJM-NSHDSACASA-N -1 1 385.457 0.986 20 0 GCADMM O=C(Cc1cscn1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571263309 945455382 /nfs/dbraw/zinc/45/53/82/945455382.db2.gz MLZUPQLUJVTLMV-LBPRGKRZSA-N -1 1 385.457 0.571 20 0 GCADMM Cc1ncsc1CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571263320 945456435 /nfs/dbraw/zinc/45/64/35/945456435.db2.gz MVBFAHAPTJVGSB-UHFFFAOYSA-N -1 1 385.457 0.703 20 0 GCADMM Cc1ncsc1CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571263320 945456437 /nfs/dbraw/zinc/45/64/37/945456437.db2.gz MVBFAHAPTJVGSB-UHFFFAOYSA-N -1 1 385.457 0.703 20 0 GCADMM O=C(CCc1nccs1)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571263435 945457868 /nfs/dbraw/zinc/45/78/68/945457868.db2.gz PZHDAHQJVYDTCH-UHFFFAOYSA-N -1 1 385.457 0.571 20 0 GCADMM Cc1nc(CC(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001571263661 945464084 /nfs/dbraw/zinc/46/40/84/945464084.db2.gz WCOIACUSGFFDTA-LBPRGKRZSA-N -1 1 385.457 0.701 20 0 GCADMM Cc1nc(CC(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001571263661 945464088 /nfs/dbraw/zinc/46/40/88/945464088.db2.gz WCOIACUSGFFDTA-LBPRGKRZSA-N -1 1 385.457 0.701 20 0 GCADMM Cc1nc(C)c(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571263730 945466105 /nfs/dbraw/zinc/46/61/05/945466105.db2.gz XLDNQYBGAJQUQO-LLVKDONJSA-N -1 1 385.457 0.986 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)Cc3cscn3)C[C@H]2C)n1 ZINC001571263734 945466164 /nfs/dbraw/zinc/46/61/64/945466164.db2.gz XMAZJRNFAGMJHL-NOZJJQNGSA-N -1 1 385.457 0.923 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)Cc3cscn3)C[C@H]2C)n1 ZINC001571263734 945466167 /nfs/dbraw/zinc/46/61/67/945466167.db2.gz XMAZJRNFAGMJHL-NOZJJQNGSA-N -1 1 385.457 0.923 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cc(Cl)c[nH]1 ZINC001571265572 945514583 /nfs/dbraw/zinc/51/45/83/945514583.db2.gz LXTGIBSRICIJRU-RTCCRHLQSA-N -1 1 385.819 0.750 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cc(Cl)c[nH]1 ZINC001571265572 945514590 /nfs/dbraw/zinc/51/45/90/945514590.db2.gz LXTGIBSRICIJRU-RTCCRHLQSA-N -1 1 385.819 0.750 20 0 GCADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)N(CCO)CCCO ZINC001571266049 945528268 /nfs/dbraw/zinc/52/82/68/945528268.db2.gz UVFRUEGROWCHBI-UHFFFAOYSA-N -1 1 386.210 0.233 20 0 GCADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)N(CCO)CCCO ZINC001571266049 945528272 /nfs/dbraw/zinc/52/82/72/945528272.db2.gz UVFRUEGROWCHBI-UHFFFAOYSA-N -1 1 386.210 0.233 20 0 GCADMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(-c3nnn[n-]3)s1)C2=O ZINC000820697622 945529825 /nfs/dbraw/zinc/52/98/25/945529825.db2.gz JPQBSWXLJVOCKH-GLEZIHRCSA-N -1 1 390.429 0.762 20 0 GCADMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(-c3nn[n-]n3)s1)C2=O ZINC000820697622 945529832 /nfs/dbraw/zinc/52/98/32/945529832.db2.gz JPQBSWXLJVOCKH-GLEZIHRCSA-N -1 1 390.429 0.762 20 0 GCADMM O=C(NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cncc(Cl)c1 ZINC001571266121 945530721 /nfs/dbraw/zinc/53/07/21/945530721.db2.gz WUACBKBWQBVLHR-JTQLQIEISA-N -1 1 385.819 0.961 20 0 GCADMM COC(=O)C1=NOC2(C1)CCN(C(=O)Nc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001571267104 945561432 /nfs/dbraw/zinc/56/14/32/945561432.db2.gz JGOGEXUSYIVSIN-UHFFFAOYSA-N -1 1 386.372 0.578 20 0 GCADMM COC(=O)C1=NOC2(C1)CCN(C(=O)Nc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001571267104 945561441 /nfs/dbraw/zinc/56/14/41/945561441.db2.gz JGOGEXUSYIVSIN-UHFFFAOYSA-N -1 1 386.372 0.578 20 0 GCADMM O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571267264 945564528 /nfs/dbraw/zinc/56/45/28/945564528.db2.gz ODJRXMDGCJDFJG-LLVKDONJSA-N -1 1 386.366 0.873 20 0 GCADMM O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571267264 945564530 /nfs/dbraw/zinc/56/45/30/945564530.db2.gz ODJRXMDGCJDFJG-LLVKDONJSA-N -1 1 386.366 0.873 20 0 GCADMM O=S(=O)(NCc1cnc(C(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571267214 945565654 /nfs/dbraw/zinc/56/56/54/945565654.db2.gz MPPYPHYKMBZJOW-UHFFFAOYSA-N -1 1 386.319 0.549 20 0 GCADMM O=S(=O)(NCc1cnc(C(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571267214 945565661 /nfs/dbraw/zinc/56/56/61/945565661.db2.gz MPPYPHYKMBZJOW-UHFFFAOYSA-N -1 1 386.319 0.549 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001571267651 945575526 /nfs/dbraw/zinc/57/55/26/945575526.db2.gz AZLRTSLQFINKDN-LLVKDONJSA-N -1 1 386.416 0.037 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)C[C@H]2COC(=O)C2)CC1 ZINC001571267651 945575529 /nfs/dbraw/zinc/57/55/29/945575529.db2.gz AZLRTSLQFINKDN-LLVKDONJSA-N -1 1 386.416 0.037 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001571267652 945575867 /nfs/dbraw/zinc/57/58/67/945575867.db2.gz AZLRTSLQFINKDN-NSHDSACASA-N -1 1 386.416 0.037 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001571267652 945575873 /nfs/dbraw/zinc/57/58/73/945575873.db2.gz AZLRTSLQFINKDN-NSHDSACASA-N -1 1 386.416 0.037 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571267722 945576835 /nfs/dbraw/zinc/57/68/35/945576835.db2.gz CSFFXSIZHSCGCA-UHFFFAOYSA-N -1 1 386.395 0.237 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571267722 945576841 /nfs/dbraw/zinc/57/68/41/945576841.db2.gz CSFFXSIZHSCGCA-UHFFFAOYSA-N -1 1 386.395 0.237 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267764 945578838 /nfs/dbraw/zinc/57/88/38/945578838.db2.gz DJDUJGARKCRHTL-SNVBAGLBSA-N -1 1 386.395 0.554 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267764 945578850 /nfs/dbraw/zinc/57/88/50/945578850.db2.gz DJDUJGARKCRHTL-SNVBAGLBSA-N -1 1 386.395 0.554 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267763 945579012 /nfs/dbraw/zinc/57/90/12/945579012.db2.gz DJDUJGARKCRHTL-JTQLQIEISA-N -1 1 386.395 0.554 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267763 945579019 /nfs/dbraw/zinc/57/90/19/945579019.db2.gz DJDUJGARKCRHTL-JTQLQIEISA-N -1 1 386.395 0.554 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1n[nH]cc1F ZINC001571267933 945583076 /nfs/dbraw/zinc/58/30/76/945583076.db2.gz JIZBGDBONAXEKL-GXSJLCMTSA-N -1 1 386.395 0.920 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1n[nH]cc1F ZINC001571267933 945583087 /nfs/dbraw/zinc/58/30/87/945583087.db2.gz JIZBGDBONAXEKL-GXSJLCMTSA-N -1 1 386.395 0.920 20 0 GCADMM CC1(C)CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571268039 945586122 /nfs/dbraw/zinc/58/61/22/945586122.db2.gz LTEKFZFMZUTNRU-ZYHUDNBSSA-N -1 1 386.416 0.259 20 0 GCADMM CC1(C)CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571268039 945586126 /nfs/dbraw/zinc/58/61/26/945586126.db2.gz LTEKFZFMZUTNRU-ZYHUDNBSSA-N -1 1 386.416 0.259 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C1=COCCC1 ZINC001571268558 945598338 /nfs/dbraw/zinc/59/83/38/945598338.db2.gz HHYDNFXFCZPXDG-ZDUSSCGKSA-N -1 1 386.416 0.063 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C1=COCCC1 ZINC001571268558 945598344 /nfs/dbraw/zinc/59/83/44/945598344.db2.gz HHYDNFXFCZPXDG-ZDUSSCGKSA-N -1 1 386.416 0.063 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)c3n[nH]cc3F)C2)n1 ZINC001571268649 945602372 /nfs/dbraw/zinc/60/23/72/945602372.db2.gz VXCGHQCMMROZDA-SNVBAGLBSA-N -1 1 386.395 0.426 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)c3n[nH]cc3F)C2)n1 ZINC001571268649 945602377 /nfs/dbraw/zinc/60/23/77/945602377.db2.gz VXCGHQCMMROZDA-SNVBAGLBSA-N -1 1 386.395 0.426 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(NC(=O)c3n[nH]cc3F)CC2)n1 ZINC001571268833 945605607 /nfs/dbraw/zinc/60/56/07/945605607.db2.gz XSKUHZGWBOKLIG-UHFFFAOYSA-N -1 1 386.395 0.980 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@@H]2NC(=O)C2=COCCO2)n1 ZINC001571269290 945617853 /nfs/dbraw/zinc/61/78/53/945617853.db2.gz USBKRURNPXJMBO-RYUDHWBXSA-N -1 1 386.416 0.550 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@@H]2NC(=O)C2=COCCO2)n1 ZINC001571269290 945617859 /nfs/dbraw/zinc/61/78/59/945617859.db2.gz USBKRURNPXJMBO-RYUDHWBXSA-N -1 1 386.416 0.550 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)C3=COCCO3)C2)n1 ZINC001571269473 945621250 /nfs/dbraw/zinc/62/12/50/945621250.db2.gz ZKKKWQARNPLPDJ-GFCCVEGCSA-N -1 1 386.416 0.138 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)C3=COCCO3)C2)n1 ZINC001571269473 945621257 /nfs/dbraw/zinc/62/12/57/945621257.db2.gz ZKKKWQARNPLPDJ-GFCCVEGCSA-N -1 1 386.416 0.138 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571269460 945621766 /nfs/dbraw/zinc/62/17/66/945621766.db2.gz YVLDIRWRDWVZSY-NWDGAFQWSA-N -1 1 386.416 0.693 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](NC(=O)C3=COCCO3)C2)n1 ZINC001571269460 945621773 /nfs/dbraw/zinc/62/17/73/945621773.db2.gz YVLDIRWRDWVZSY-NWDGAFQWSA-N -1 1 386.416 0.693 20 0 GCADMM Cc1nnsc1C(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269677 945622803 /nfs/dbraw/zinc/62/28/03/945622803.db2.gz CATRJDVTYDXOCD-PSASIEDQSA-N -1 1 386.445 0.604 20 0 GCADMM Cc1nnsc1C(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269677 945622807 /nfs/dbraw/zinc/62/28/07/945622807.db2.gz CATRJDVTYDXOCD-PSASIEDQSA-N -1 1 386.445 0.604 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@H](NC(=O)c3csnn3)C2)n1 ZINC001571269867 945625591 /nfs/dbraw/zinc/62/55/91/945625591.db2.gz FTBVWDYPZQVKIJ-UWVGGRQHSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@H](NC(=O)c3csnn3)C2)n1 ZINC001571269867 945625595 /nfs/dbraw/zinc/62/55/95/945625595.db2.gz FTBVWDYPZQVKIJ-UWVGGRQHSA-N -1 1 386.445 0.970 20 0 GCADMM O=C(Cc1cccs1)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571269819 945625965 /nfs/dbraw/zinc/62/59/65/945625965.db2.gz DHKINIFHXOOXRW-NSHDSACASA-N -1 1 386.441 0.600 20 0 GCADMM O=C(Cc1cccs1)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571269819 945625982 /nfs/dbraw/zinc/62/59/82/945625982.db2.gz DHKINIFHXOOXRW-NSHDSACASA-N -1 1 386.441 0.600 20 0 GCADMM CCc1nnsc1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269966 945629652 /nfs/dbraw/zinc/62/96/52/945629652.db2.gz JCAWHXZTMLKPLS-UHFFFAOYSA-N -1 1 386.445 0.691 20 0 GCADMM CCc1nnsc1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269966 945629660 /nfs/dbraw/zinc/62/96/60/945629660.db2.gz JCAWHXZTMLKPLS-UHFFFAOYSA-N -1 1 386.445 0.691 20 0 GCADMM Cc1nnsc1C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270031 945629841 /nfs/dbraw/zinc/62/98/41/945629841.db2.gz LBGRRURXELBYRW-HNNXBMFYSA-N -1 1 386.445 0.203 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571270263 945632672 /nfs/dbraw/zinc/63/26/72/945632672.db2.gz OOGIFFLAECQSCM-LLVKDONJSA-N -1 1 386.441 0.980 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571270263 945632676 /nfs/dbraw/zinc/63/26/76/945632676.db2.gz OOGIFFLAECQSCM-LLVKDONJSA-N -1 1 386.441 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571270239 945633141 /nfs/dbraw/zinc/63/31/41/945633141.db2.gz OAGAGZCESPNEOO-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571270239 945633147 /nfs/dbraw/zinc/63/31/47/945633147.db2.gz OAGAGZCESPNEOO-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571270237 945633158 /nfs/dbraw/zinc/63/31/58/945633158.db2.gz OAGAGZCESPNEOO-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571270237 945633165 /nfs/dbraw/zinc/63/31/65/945633165.db2.gz OAGAGZCESPNEOO-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571270238 945633763 /nfs/dbraw/zinc/63/37/63/945633763.db2.gz OAGAGZCESPNEOO-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571270238 945633773 /nfs/dbraw/zinc/63/37/73/945633773.db2.gz OAGAGZCESPNEOO-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)c2cnns2)n1 ZINC001571270547 945636886 /nfs/dbraw/zinc/63/68/86/945636886.db2.gz USJMXXDJAKUUDS-SNVBAGLBSA-N -1 1 386.445 0.558 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)c2cnns2)n1 ZINC001571270547 945636891 /nfs/dbraw/zinc/63/68/91/945636891.db2.gz USJMXXDJAKUUDS-SNVBAGLBSA-N -1 1 386.445 0.558 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)c1-c1nn[n-]n1 ZINC001571270444 945637223 /nfs/dbraw/zinc/63/72/23/945637223.db2.gz TYYNEZBTVRRGLA-VXGBXAGGSA-N -1 1 386.441 0.396 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)c1ccsc1 ZINC001571270630 945638270 /nfs/dbraw/zinc/63/82/70/945638270.db2.gz XDEULZPAEHMDSQ-LBPRGKRZSA-N -1 1 386.441 0.744 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)c1ccsc1 ZINC001571270630 945638275 /nfs/dbraw/zinc/63/82/75/945638275.db2.gz XDEULZPAEHMDSQ-LBPRGKRZSA-N -1 1 386.441 0.744 20 0 GCADMM O=C(Cc1ccsc1)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571270714 945641214 /nfs/dbraw/zinc/64/12/14/945641214.db2.gz ZPTZRGTVXCKDKO-RYUDHWBXSA-N -1 1 386.441 0.017 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)C1(C)CCOCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571272167 945656615 /nfs/dbraw/zinc/65/66/15/945656615.db2.gz ABEDBIIWXWVVIK-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C3(C)CCOCC3)C2)n1 ZINC001571272234 945657815 /nfs/dbraw/zinc/65/78/15/945657815.db2.gz BOEGUQBCIVBVBK-GFCCVEGCSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C3(C)CCOCC3)C2)n1 ZINC001571272234 945657820 /nfs/dbraw/zinc/65/78/20/945657820.db2.gz BOEGUQBCIVBVBK-GFCCVEGCSA-N -1 1 386.460 0.731 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)CC[C@H]2CCOC2)C1 ZINC001571272399 945661866 /nfs/dbraw/zinc/66/18/66/945661866.db2.gz CWOKDZADPUCFCS-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001571272437 945662467 /nfs/dbraw/zinc/66/24/67/945662467.db2.gz DRJDDLKQKVMUFW-WBMJQRKESA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001571272437 945662474 /nfs/dbraw/zinc/66/24/74/945662474.db2.gz DRJDDLKQKVMUFW-WBMJQRKESA-N -1 1 386.460 0.757 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC(O)CC1 ZINC001571272403 945662828 /nfs/dbraw/zinc/66/28/28/945662828.db2.gz CYKHHKLZCCTZRW-MOKVOYLWSA-N -1 1 386.460 0.683 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC(O)CC1 ZINC001571272403 945662830 /nfs/dbraw/zinc/66/28/30/945662830.db2.gz CYKHHKLZCCTZRW-MOKVOYLWSA-N -1 1 386.460 0.683 20 0 GCADMM CCNC(=O)COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821285916 945663860 /nfs/dbraw/zinc/66/38/60/945663860.db2.gz LSDZLFSZPXVQPL-UHFFFAOYSA-N -1 1 399.415 0.437 20 0 GCADMM CCNC(=O)COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821285916 945663870 /nfs/dbraw/zinc/66/38/70/945663870.db2.gz LSDZLFSZPXVQPL-UHFFFAOYSA-N -1 1 399.415 0.437 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](NC(=O)CC3CCOCC3)C2)n1 ZINC001571272609 945667764 /nfs/dbraw/zinc/66/77/64/945667764.db2.gz GBRYCFXUMKTMHM-IAQYHMDHSA-N -1 1 386.460 0.723 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](NC(=O)CC3CCOCC3)C2)n1 ZINC001571272609 945667768 /nfs/dbraw/zinc/66/77/68/945667768.db2.gz GBRYCFXUMKTMHM-IAQYHMDHSA-N -1 1 386.460 0.723 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)CC2(O)CCC2)n1 ZINC001571272696 945669185 /nfs/dbraw/zinc/66/91/85/945669185.db2.gz HQZLAYNXKFIUMV-ZDUSSCGKSA-N -1 1 386.460 0.697 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)CC2(O)CCC2)n1 ZINC001571272696 945669187 /nfs/dbraw/zinc/66/91/87/945669187.db2.gz HQZLAYNXKFIUMV-ZDUSSCGKSA-N -1 1 386.460 0.697 20 0 GCADMM CCOC(=O)C1=C(COC(=O)c2ccc(-c3nnn[n-]3)s2)NC(=O)N[C@H]1C ZINC000821320547 945670563 /nfs/dbraw/zinc/67/05/63/945670563.db2.gz OPQMUHLNHBQVAO-ZETCQYMHSA-N -1 1 392.397 0.604 20 0 GCADMM CCOC(=O)C1=C(COC(=O)c2ccc(-c3nn[n-]n3)s2)NC(=O)N[C@H]1C ZINC000821320547 945670568 /nfs/dbraw/zinc/67/05/68/945670568.db2.gz OPQMUHLNHBQVAO-ZETCQYMHSA-N -1 1 392.397 0.604 20 0 GCADMM CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821325841 945670962 /nfs/dbraw/zinc/67/09/62/945670962.db2.gz OYOVYJZDMOHWDR-UHFFFAOYSA-N -1 1 393.425 0.887 20 0 GCADMM CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821325841 945670967 /nfs/dbraw/zinc/67/09/67/945670967.db2.gz OYOVYJZDMOHWDR-UHFFFAOYSA-N -1 1 393.425 0.887 20 0 GCADMM CO[C@H](C)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571272804 945671815 /nfs/dbraw/zinc/67/18/15/945671815.db2.gz IPRHJPUTAIGIQD-TZMCWYRMSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@H](C)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272804 945671819 /nfs/dbraw/zinc/67/18/19/945671819.db2.gz IPRHJPUTAIGIQD-TZMCWYRMSA-N -1 1 386.460 0.757 20 0 GCADMM CC[C@H]1CC[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)CC1 ZINC001571272895 945673057 /nfs/dbraw/zinc/67/30/57/945673057.db2.gz KJFCBCZBLDMTBC-AAVRWANBSA-N -1 1 386.460 0.539 20 0 GCADMM O=C(CC[C@H]1CCCO1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571272882 945673151 /nfs/dbraw/zinc/67/31/51/945673151.db2.gz JZCOYPVTQPNCDZ-ZIAGYGMSSA-N -1 1 386.460 0.831 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1)C1CC1 ZINC001571272965 945675730 /nfs/dbraw/zinc/67/57/30/945675730.db2.gz LWYSOKRIJOSSHL-WDBKCZKBSA-N -1 1 386.460 0.897 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1)C1CC1 ZINC001571272965 945675737 /nfs/dbraw/zinc/67/57/37/945675737.db2.gz LWYSOKRIJOSSHL-WDBKCZKBSA-N -1 1 386.460 0.897 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)CCC2CCOCC2)C1 ZINC001571272949 945676289 /nfs/dbraw/zinc/67/62/89/945676289.db2.gz LOISGDZFBIIWBF-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)CCC2CCOCC2)C1 ZINC001571272949 945676293 /nfs/dbraw/zinc/67/62/93/945676293.db2.gz LOISGDZFBIIWBF-AWEZNQCLSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571273006 945677682 /nfs/dbraw/zinc/67/76/82/945677682.db2.gz MUUUWOIBHHVKIX-XUXIUFHCSA-N -1 1 386.460 0.591 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2CNC(=O)[C@H]2CCCO2)n1 ZINC001571273061 945678238 /nfs/dbraw/zinc/67/82/38/945678238.db2.gz OEQTYDHIMMWWHA-TZMCWYRMSA-N -1 1 386.460 0.873 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2CNC(=O)[C@H]2CCCO2)n1 ZINC001571273061 945678245 /nfs/dbraw/zinc/67/82/45/945678245.db2.gz OEQTYDHIMMWWHA-TZMCWYRMSA-N -1 1 386.460 0.873 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001571273169 945680864 /nfs/dbraw/zinc/68/08/64/945680864.db2.gz RGQZRUIQYFQURW-HZSPNIEDSA-N -1 1 386.460 0.662 20 0 GCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001571273169 945680869 /nfs/dbraw/zinc/68/08/69/945680869.db2.gz RGQZRUIQYFQURW-HZSPNIEDSA-N -1 1 386.460 0.662 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCO[C@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571273226 945681332 /nfs/dbraw/zinc/68/13/32/945681332.db2.gz SWVSEVMODLDBHZ-CYDGBPFRSA-N -1 1 386.460 0.951 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@H]3CCO[C@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571273226 945681340 /nfs/dbraw/zinc/68/13/40/945681340.db2.gz SWVSEVMODLDBHZ-CYDGBPFRSA-N -1 1 386.460 0.951 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273253 945684542 /nfs/dbraw/zinc/68/45/42/945684542.db2.gz UATRVHWDIXCKQR-QWHCGFSZSA-N -1 1 386.460 0.731 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273253 945684550 /nfs/dbraw/zinc/68/45/50/945684550.db2.gz UATRVHWDIXCKQR-QWHCGFSZSA-N -1 1 386.460 0.731 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)C[C@H]1CCOC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571273390 945686979 /nfs/dbraw/zinc/68/69/79/945686979.db2.gz WSMSNALBOWZSJO-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)C[C@H]1CCOC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571273390 945686985 /nfs/dbraw/zinc/68/69/85/945686985.db2.gz WSMSNALBOWZSJO-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)C1CCC1 ZINC001571273421 945687823 /nfs/dbraw/zinc/68/78/23/945687823.db2.gz XKUCRMXDAJBDOQ-AXAPSJFSSA-N -1 1 386.460 0.978 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)C1CCC1 ZINC001571273421 945687828 /nfs/dbraw/zinc/68/78/28/945687828.db2.gz XKUCRMXDAJBDOQ-AXAPSJFSSA-N -1 1 386.460 0.978 20 0 GCADMM CO[C@H](C)C(=O)N1CC[C@]2(C1)CCCN(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001571273423 945688678 /nfs/dbraw/zinc/68/86/78/945688678.db2.gz XLGBUZTXZLCFHW-ACJLOTCBSA-N -1 1 386.460 0.819 20 0 GCADMM CO[C@H](C)C(=O)N1CC[C@]2(C1)CCCN(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001571273423 945688687 /nfs/dbraw/zinc/68/86/87/945688687.db2.gz XLGBUZTXZLCFHW-ACJLOTCBSA-N -1 1 386.460 0.819 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCN(C(=O)[C@H](O)C(C)C)[C@@H]3C2)n1 ZINC001571273438 945688887 /nfs/dbraw/zinc/68/88/87/945688887.db2.gz XMTVOKSWOAQBRM-NORZTCDRSA-N -1 1 386.460 0.273 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCN(C(=O)[C@H](O)C(C)C)[C@@H]3C2)n1 ZINC001571273438 945688891 /nfs/dbraw/zinc/68/88/91/945688891.db2.gz XMTVOKSWOAQBRM-NORZTCDRSA-N -1 1 386.460 0.273 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)C ZINC001571273487 945690706 /nfs/dbraw/zinc/69/07/06/945690706.db2.gz YGYKHEPSSPRJEI-IPYPFGDCSA-N -1 1 386.460 0.897 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)C ZINC001571273487 945690710 /nfs/dbraw/zinc/69/07/10/945690710.db2.gz YGYKHEPSSPRJEI-IPYPFGDCSA-N -1 1 386.460 0.897 20 0 GCADMM CO[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001571273555 945691465 /nfs/dbraw/zinc/69/14/65/945691465.db2.gz ZTYAWZCZKNCJAE-CJNGLKHVSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001571273555 945691470 /nfs/dbraw/zinc/69/14/70/945691470.db2.gz ZTYAWZCZKNCJAE-CJNGLKHVSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)NC(=O)NC(=O)Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001571274005 945692238 /nfs/dbraw/zinc/69/22/38/945692238.db2.gz AKKZQZSXQIDLBD-UHFFFAOYSA-N -1 1 387.322 0.672 20 0 GCADMM C[C@H](Cc1ccccc1F)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571274265 945694525 /nfs/dbraw/zinc/69/45/25/945694525.db2.gz CZVYQIFJAZHYKH-SNVBAGLBSA-N -1 1 387.375 0.263 20 0 GCADMM O=C1Nc2ncc(Br)cc2C[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001571274154 945695018 /nfs/dbraw/zinc/69/50/18/945695018.db2.gz CQDMVEAURLLULJ-LLVKDONJSA-N -1 1 387.201 0.816 20 0 GCADMM O=C1Nc2ncc(Br)cc2C[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001571274154 945695020 /nfs/dbraw/zinc/69/50/20/945695020.db2.gz CQDMVEAURLLULJ-LLVKDONJSA-N -1 1 387.201 0.816 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1c(F)cncc1F ZINC001571274301 945695500 /nfs/dbraw/zinc/69/55/00/945695500.db2.gz FKJYPXVCHPPBOU-DTORHVGOSA-N -1 1 387.354 0.950 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1c(F)cncc1F ZINC001571274301 945695508 /nfs/dbraw/zinc/69/55/08/945695508.db2.gz FKJYPXVCHPPBOU-DTORHVGOSA-N -1 1 387.354 0.950 20 0 GCADMM CCOc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)ccc1OCC(=O)OC ZINC001571274414 945696828 /nfs/dbraw/zinc/69/68/28/945696828.db2.gz GUVPOOFDEPHEHE-UHFFFAOYSA-N -1 1 387.356 0.793 20 0 GCADMM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)c(Cl)n1 ZINC001571274692 945699553 /nfs/dbraw/zinc/69/95/53/945699553.db2.gz KAWQJUFVJAKJEP-IUCAKERBSA-N -1 1 386.807 0.147 20 0 GCADMM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)c(Cl)n1 ZINC001571274692 945699562 /nfs/dbraw/zinc/69/95/62/945699562.db2.gz KAWQJUFVJAKJEP-IUCAKERBSA-N -1 1 386.807 0.147 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571275478 945706810 /nfs/dbraw/zinc/70/68/10/945706810.db2.gz UVYMYZFVTQGZQE-IUCAKERBSA-N -1 1 386.807 0.147 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571275478 945706816 /nfs/dbraw/zinc/70/68/16/945706816.db2.gz UVYMYZFVTQGZQE-IUCAKERBSA-N -1 1 386.807 0.147 20 0 GCADMM CC(C)CC(=O)N1CCC2(CC1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001571275674 945711526 /nfs/dbraw/zinc/71/15/26/945711526.db2.gz AMNZPBRINQPYGS-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(=O)N1CCC2(CC1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001571275674 945711534 /nfs/dbraw/zinc/71/15/34/945711534.db2.gz AMNZPBRINQPYGS-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](C(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001571275751 945713517 /nfs/dbraw/zinc/71/35/17/945713517.db2.gz BUFRHTYEYOOLBH-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](C(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001571275751 945713522 /nfs/dbraw/zinc/71/35/22/945713522.db2.gz BUFRHTYEYOOLBH-LBPRGKRZSA-N -1 1 386.460 0.858 20 0 GCADMM CCOC1CC(CC(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571275896 945718035 /nfs/dbraw/zinc/71/80/35/945718035.db2.gz FCFCKMANPQFDRT-ROKHWSDSSA-N -1 1 386.460 0.899 20 0 GCADMM CCOC1CC(CC(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571275896 945718044 /nfs/dbraw/zinc/71/80/44/945718044.db2.gz FCFCKMANPQFDRT-ROKHWSDSSA-N -1 1 386.460 0.899 20 0 GCADMM CC[C@H]1C[C@H](C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCO1 ZINC001571275915 945718584 /nfs/dbraw/zinc/71/85/84/945718584.db2.gz FPSRVRIIBIHQDG-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@H]1C[C@H](C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCO1 ZINC001571275915 945718594 /nfs/dbraw/zinc/71/85/94/945718594.db2.gz FPSRVRIIBIHQDG-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCO1 ZINC001571275917 945718625 /nfs/dbraw/zinc/71/86/25/945718625.db2.gz FPSRVRIIBIHQDG-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@@H]1C[C@H](C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCO1 ZINC001571275917 945718629 /nfs/dbraw/zinc/71/86/29/945718629.db2.gz FPSRVRIIBIHQDG-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CCN(C(=O)[C@@H]1CCCOCC1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571276073 945723025 /nfs/dbraw/zinc/72/30/25/945723025.db2.gz GVSOADYJDDELBN-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CCN(C(=O)[C@@H]1CCCOCC1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571276073 945723032 /nfs/dbraw/zinc/72/30/32/945723032.db2.gz GVSOADYJDDELBN-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CCC1(C(=O)N2CCC(N(CCO)c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001571276078 945723824 /nfs/dbraw/zinc/72/38/24/945723824.db2.gz GYLPTFICIYUHKZ-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM CCC1(C(=O)N2CCC(N(CCO)c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001571276078 945723837 /nfs/dbraw/zinc/72/38/37/945723837.db2.gz GYLPTFICIYUHKZ-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001571276102 945725072 /nfs/dbraw/zinc/72/50/72/945725072.db2.gz HFFNGUPEFVJYCZ-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001571276102 945725075 /nfs/dbraw/zinc/72/50/75/945725075.db2.gz HFFNGUPEFVJYCZ-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@@H](C)n1nc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1C ZINC001571276197 945726911 /nfs/dbraw/zinc/72/69/11/945726911.db2.gz FHMXAGLQIQUMMG-SECBINFHSA-N -1 1 387.404 0.035 20 0 GCADMM CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821592624 945729643 /nfs/dbraw/zinc/72/96/43/945729643.db2.gz NNVGTKASUVXSBC-UHFFFAOYSA-N -1 1 375.437 0.855 20 0 GCADMM CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821592624 945729650 /nfs/dbraw/zinc/72/96/50/945729650.db2.gz NNVGTKASUVXSBC-UHFFFAOYSA-N -1 1 375.437 0.855 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)CC2(C)C)CCOC1 ZINC001571276566 945731671 /nfs/dbraw/zinc/73/16/71/945731671.db2.gz IRYLDSKULMEENJ-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)CC2(C)C)CCOC1 ZINC001571276566 945731675 /nfs/dbraw/zinc/73/16/75/945731675.db2.gz IRYLDSKULMEENJ-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1COCC[C@@H]1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571276614 945733617 /nfs/dbraw/zinc/73/36/17/945733617.db2.gz JOEIVNNHEADJJC-JSGCOSHPSA-N -1 1 386.460 0.662 20 0 GCADMM C[C@H]1COCC[C@@H]1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571276614 945733619 /nfs/dbraw/zinc/73/36/19/945733619.db2.gz JOEIVNNHEADJJC-JSGCOSHPSA-N -1 1 386.460 0.662 20 0 GCADMM COCCc1ccc(OC[C@H](O)CNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001571276993 945739118 /nfs/dbraw/zinc/73/91/18/945739118.db2.gz MJDWEXYKTCMISP-CQSZACIVSA-N -1 1 387.396 0.818 20 0 GCADMM COCCc1ccc(OC[C@H](O)CNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001571276993 945739126 /nfs/dbraw/zinc/73/91/26/945739126.db2.gz MJDWEXYKTCMISP-CQSZACIVSA-N -1 1 387.396 0.818 20 0 GCADMM CCOC1CC(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001571277543 945742976 /nfs/dbraw/zinc/74/29/76/945742976.db2.gz LLBPJQHHFISINR-MOKVOYLWSA-N -1 1 386.460 0.865 20 0 GCADMM CCOC1CC(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001571277543 945742985 /nfs/dbraw/zinc/74/29/85/945742985.db2.gz LLBPJQHHFISINR-MOKVOYLWSA-N -1 1 386.460 0.865 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1CCCC1 ZINC001571277597 945744788 /nfs/dbraw/zinc/74/47/88/945744788.db2.gz MKCWRBHZXFRERA-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1CCCC1 ZINC001571277597 945744796 /nfs/dbraw/zinc/74/47/96/945744796.db2.gz MKCWRBHZXFRERA-KGLIPLIRSA-N -1 1 386.460 0.539 20 0 GCADMM COc1ncc(NC(=O)N2CCC(N3CCNC3=O)CC2)cc1-c1nn[n-]n1 ZINC001571278102 945749644 /nfs/dbraw/zinc/74/96/44/945749644.db2.gz VVSJBFMUSHUWFQ-UHFFFAOYSA-N -1 1 387.404 0.292 20 0 GCADMM CCOc1ccccc1C(=O)NCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571278416 945752862 /nfs/dbraw/zinc/75/28/62/945752862.db2.gz ZIWXVUCWYHCJRI-UHFFFAOYSA-N -1 1 387.425 0.768 20 0 GCADMM CCOc1ccccc1C(=O)NCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571278416 945752869 /nfs/dbraw/zinc/75/28/69/945752869.db2.gz ZIWXVUCWYHCJRI-UHFFFAOYSA-N -1 1 387.425 0.768 20 0 GCADMM Cc1c(-c2nnn[n-]2)nn(-c2ccccc2)c1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001571278729 945758144 /nfs/dbraw/zinc/75/81/44/945758144.db2.gz AVDRCXWXWYFNJZ-NSHDSACASA-N -1 1 387.425 0.734 20 0 GCADMM Cc1c(-c2nn[n-]n2)nn(-c2ccccc2)c1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001571278729 945758153 /nfs/dbraw/zinc/75/81/53/945758153.db2.gz AVDRCXWXWYFNJZ-NSHDSACASA-N -1 1 387.425 0.734 20 0 GCADMM C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571278789 945760353 /nfs/dbraw/zinc/76/03/53/945760353.db2.gz CCPZGLRPSKMYNE-RKDXNWHRSA-N -1 1 387.429 0.639 20 0 GCADMM COc1ccc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)nn1 ZINC001571278814 945762582 /nfs/dbraw/zinc/76/25/82/945762582.db2.gz CPAIAKGJCRGOSX-VIFPVBQESA-N -1 1 387.429 0.439 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001571278932 945765489 /nfs/dbraw/zinc/76/54/89/945765489.db2.gz RMBYLOCAUSDENY-ZFWWWQNUSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001571278932 945765490 /nfs/dbraw/zinc/76/54/90/945765490.db2.gz RMBYLOCAUSDENY-ZFWWWQNUSA-N -1 1 386.460 0.901 20 0 GCADMM CCC(=O)N1CCC(CO[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571278938 945765662 /nfs/dbraw/zinc/76/56/62/945765662.db2.gz RQGXKAHIWWSWGN-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM CCC(=O)N1CCC(CO[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571278938 945765666 /nfs/dbraw/zinc/76/56/66/945765666.db2.gz RQGXKAHIWWSWGN-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM O=C(c1nccs1)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571279202 945771572 /nfs/dbraw/zinc/77/15/72/945771572.db2.gz KYSXRCGRXOMCGD-JTQLQIEISA-N -1 1 387.429 0.456 20 0 GCADMM O=C(c1nccs1)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571279202 945771577 /nfs/dbraw/zinc/77/15/77/945771577.db2.gz KYSXRCGRXOMCGD-JTQLQIEISA-N -1 1 387.429 0.456 20 0 GCADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571279310 945775323 /nfs/dbraw/zinc/77/53/23/945775323.db2.gz UQLUNMMWCJLBJI-SGTLLEGYSA-N -1 1 386.460 0.280 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571279309 945775463 /nfs/dbraw/zinc/77/54/63/945775463.db2.gz UQLUNMMWCJLBJI-KZULUSFZSA-N -1 1 386.460 0.280 20 0 GCADMM C[C@@H](CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571279334 945775514 /nfs/dbraw/zinc/77/55/14/945775514.db2.gz VDOJCTCMOMFIOF-GXTWGEPZSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571279308 945775715 /nfs/dbraw/zinc/77/57/15/945775715.db2.gz UQLUNMMWCJLBJI-KPZWWZAWSA-N -1 1 386.460 0.280 20 0 GCADMM CC1(C)CC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571279393 945777408 /nfs/dbraw/zinc/77/74/08/945777408.db2.gz WFRIMBVGADCCSP-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CC[C@@H]1C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571279393 945777412 /nfs/dbraw/zinc/77/74/12/945777412.db2.gz WFRIMBVGADCCSP-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)c1csc(=O)[nH]1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571279409 945778149 /nfs/dbraw/zinc/77/81/49/945778149.db2.gz NSRHSZNLHBEVTQ-VIFPVBQESA-N -1 1 387.429 0.560 20 0 GCADMM C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571279503 945779113 /nfs/dbraw/zinc/77/91/13/945779113.db2.gz QMJWPJBKMZIRPH-RKDXNWHRSA-N -1 1 387.429 0.203 20 0 GCADMM CCOC1CC(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571279606 945782010 /nfs/dbraw/zinc/78/20/10/945782010.db2.gz WPYFDJXRMQSBLC-MOKVOYLWSA-N -1 1 386.460 0.947 20 0 GCADMM CCOC1CC(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571279606 945782017 /nfs/dbraw/zinc/78/20/17/945782017.db2.gz WPYFDJXRMQSBLC-MOKVOYLWSA-N -1 1 386.460 0.947 20 0 GCADMM CSCc1ccc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571279558 945782373 /nfs/dbraw/zinc/78/23/73/945782373.db2.gz SBSITPHKCXPEOG-UHFFFAOYSA-N -1 1 387.425 0.308 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001571279689 945783973 /nfs/dbraw/zinc/78/39/73/945783973.db2.gz XWGYQWJIEWGOCD-TZMCWYRMSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001571279689 945783984 /nfs/dbraw/zinc/78/39/84/945783984.db2.gz XWGYQWJIEWGOCD-TZMCWYRMSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001571279687 945784573 /nfs/dbraw/zinc/78/45/73/945784573.db2.gz XWGYQWJIEWGOCD-JSGCOSHPSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001571279687 945784580 /nfs/dbraw/zinc/78/45/80/945784580.db2.gz XWGYQWJIEWGOCD-JSGCOSHPSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1C[C@H](C(=O)N2CCC(CCNc3ccnc(-c4nn[n-]n4)n3)CC2)CO1 ZINC001571279700 945786444 /nfs/dbraw/zinc/78/64/44/945786444.db2.gz YDUPBVHXOHWICK-JSGCOSHPSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H]1C[C@@H](C(=O)N2CCC(CCNc3ccnc(-c4nn[n-]n4)n3)CC2)CO1 ZINC001571279699 945786463 /nfs/dbraw/zinc/78/64/63/945786463.db2.gz YDUPBVHXOHWICK-GXTWGEPZSA-N -1 1 386.460 0.544 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)s1 ZINC001571279788 945788310 /nfs/dbraw/zinc/78/83/10/945788310.db2.gz VVCXHQOVEJVMGW-JTQLQIEISA-N -1 1 387.429 0.057 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)s1 ZINC001571279788 945788314 /nfs/dbraw/zinc/78/83/14/945788314.db2.gz VVCXHQOVEJVMGW-JTQLQIEISA-N -1 1 387.429 0.057 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2csc(=O)[nH]2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571279840 945788722 /nfs/dbraw/zinc/78/87/22/945788722.db2.gz XPHTZYUITSMNOJ-IUCAKERBSA-N -1 1 387.429 0.606 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2csc(=O)[nH]2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571279840 945788728 /nfs/dbraw/zinc/78/87/28/945788728.db2.gz XPHTZYUITSMNOJ-IUCAKERBSA-N -1 1 387.429 0.606 20 0 GCADMM Cc1ncsc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571279843 945789012 /nfs/dbraw/zinc/78/90/12/945789012.db2.gz XQFCBIMSEPYXRT-JTQLQIEISA-N -1 1 387.429 0.375 20 0 GCADMM Cc1ncsc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571279843 945789018 /nfs/dbraw/zinc/78/90/18/945789018.db2.gz XQFCBIMSEPYXRT-JTQLQIEISA-N -1 1 387.429 0.375 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001571279930 945791273 /nfs/dbraw/zinc/79/12/73/945791273.db2.gz ZSTPULZFPUXYRF-BDAKNGLRSA-N -1 1 387.429 0.203 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573447415 945798665 /nfs/dbraw/zinc/79/86/65/945798665.db2.gz YJTOULCPAUVUHY-CHWSQXEVSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573447415 945798673 /nfs/dbraw/zinc/79/86/73/945798673.db2.gz YJTOULCPAUVUHY-CHWSQXEVSA-N -1 1 387.448 0.220 20 0 GCADMM Cc1nsc(N2C[C@@H](CNC(=O)c3cn(C)cn3)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001571281064 945798765 /nfs/dbraw/zinc/79/87/65/945798765.db2.gz BQSLIPJKFSRYLD-MWLCHTKSSA-N -1 1 387.473 0.867 20 0 GCADMM COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@H+](C)CC[C@H](C)O ZINC000821688259 945815156 /nfs/dbraw/zinc/81/51/56/945815156.db2.gz DSWAARVOMODJTM-LBPRGKRZSA-N -1 1 393.492 0.963 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573449350 945818587 /nfs/dbraw/zinc/81/85/87/945818587.db2.gz ZCLVOFISSVLKQN-LDYMZIIASA-N -1 1 378.462 0.559 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282265 945833425 /nfs/dbraw/zinc/83/34/25/945833425.db2.gz WETLAVHNFZJMDM-NSHDSACASA-N -1 1 387.473 0.991 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573452067 945843641 /nfs/dbraw/zinc/84/36/41/945843641.db2.gz AGGWNBDJECDIRN-PIGZYNQJSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573452157 945844438 /nfs/dbraw/zinc/84/44/38/945844438.db2.gz BLOKJFMFHGUXNJ-OAHLLOKOSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573452157 945844441 /nfs/dbraw/zinc/84/44/41/945844441.db2.gz BLOKJFMFHGUXNJ-OAHLLOKOSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573452653 945853684 /nfs/dbraw/zinc/85/36/84/945853684.db2.gz GRLFBZUZMDECRY-PIGZYNQJSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573452653 945853689 /nfs/dbraw/zinc/85/36/89/945853689.db2.gz GRLFBZUZMDECRY-PIGZYNQJSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)C ZINC001573452905 945856304 /nfs/dbraw/zinc/85/63/04/945856304.db2.gz IUWSSWAVBHMGHM-MRXNPFEDSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)C ZINC001573452905 945856318 /nfs/dbraw/zinc/85/63/18/945856318.db2.gz IUWSSWAVBHMGHM-MRXNPFEDSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573453150 945857268 /nfs/dbraw/zinc/85/72/68/945857268.db2.gz JANWYKNBWDONGJ-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573453150 945857284 /nfs/dbraw/zinc/85/72/84/945857284.db2.gz JANWYKNBWDONGJ-HWPZZCPQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573453786 945865125 /nfs/dbraw/zinc/86/51/25/945865125.db2.gz QFYYJDMRUIMCBL-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573453786 945865132 /nfs/dbraw/zinc/86/51/32/945865132.db2.gz QFYYJDMRUIMCBL-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573454002 945873327 /nfs/dbraw/zinc/87/33/27/945873327.db2.gz SXPHONGYLJOWFP-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573454002 945873332 /nfs/dbraw/zinc/87/33/32/945873332.db2.gz SXPHONGYLJOWFP-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573454299 945875404 /nfs/dbraw/zinc/87/54/04/945875404.db2.gz WPVVEQBORXJTIU-PIGZYNQJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573454299 945875411 /nfs/dbraw/zinc/87/54/11/945875411.db2.gz WPVVEQBORXJTIU-PIGZYNQJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573454296 945876751 /nfs/dbraw/zinc/87/67/51/945876751.db2.gz WPVVEQBORXJTIU-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@](C)(C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573454296 945876757 /nfs/dbraw/zinc/87/67/57/945876757.db2.gz WPVVEQBORXJTIU-APPDUMDISA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573455258 945878212 /nfs/dbraw/zinc/87/82/12/945878212.db2.gz AXUJXRFQPKANKU-CMPLNLGQSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573455258 945878235 /nfs/dbraw/zinc/87/82/35/945878235.db2.gz AXUJXRFQPKANKU-CMPLNLGQSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573455270 945878602 /nfs/dbraw/zinc/87/86/02/945878602.db2.gz BFTVEJVHIOBODL-DIFFPNOSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@](C)(C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573455270 945878617 /nfs/dbraw/zinc/87/86/17/945878617.db2.gz BFTVEJVHIOBODL-DIFFPNOSSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573455323 945881613 /nfs/dbraw/zinc/88/16/13/945881613.db2.gz CZISJAJTSOLRCI-ZDUSSCGKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573455323 945881631 /nfs/dbraw/zinc/88/16/31/945881631.db2.gz CZISJAJTSOLRCI-ZDUSSCGKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573455550 945882803 /nfs/dbraw/zinc/88/28/03/945882803.db2.gz DVQHUPORYJGGDQ-QFYYESIMSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573455550 945882817 /nfs/dbraw/zinc/88/28/17/945882817.db2.gz DVQHUPORYJGGDQ-QFYYESIMSA-N -1 1 375.437 0.124 20 0 GCADMM COc1cccc(C(=O)NCCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821858961 945887094 /nfs/dbraw/zinc/88/70/94/945887094.db2.gz JPQPORDLLBLMCW-UHFFFAOYSA-N -1 1 385.388 0.160 20 0 GCADMM 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O=C(C1CCOCC1)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286932 945962519 /nfs/dbraw/zinc/96/25/19/945962519.db2.gz WAYWTYORICQCOM-CYBMUJFWSA-N -1 1 388.432 0.113 20 0 GCADMM COC(=O)CC1CC(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC001571287034 945966664 /nfs/dbraw/zinc/96/66/64/945966664.db2.gz YRVLBEMFRPZIIL-UHFFFAOYSA-N -1 1 388.428 0.975 20 0 GCADMM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822168140 945968774 /nfs/dbraw/zinc/96/87/74/945968774.db2.gz LWUSRJKUWGVJRX-UHFFFAOYSA-N -1 1 381.400 0.641 20 0 GCADMM CCCc1ncc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)o1 ZINC001571287259 945970057 /nfs/dbraw/zinc/97/00/57/945970057.db2.gz BXUZGNRRGANLSN-UHFFFAOYSA-N -1 1 388.436 0.887 20 0 GCADMM CCCc1ncc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)o1 ZINC001571287259 945970067 /nfs/dbraw/zinc/97/00/67/945970067.db2.gz BXUZGNRRGANLSN-UHFFFAOYSA-N -1 1 388.436 0.887 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573467254 945975314 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CO[C@H](C(=O)N1CC[C@@H](CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001571290050 946026372 /nfs/dbraw/zinc/02/63/72/946026372.db2.gz TYQFFVRBPVYHQN-ZFWWWQNUSA-N -1 1 388.476 0.921 20 0 GCADMM CCN(C(=O)c1cn(C)nn1)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571290125 946029008 /nfs/dbraw/zinc/02/90/08/946029008.db2.gz VSGUIHXIEKGELX-JTQLQIEISA-N -1 1 388.461 0.501 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)[nH]n1 ZINC001571290287 946033998 /nfs/dbraw/zinc/03/39/98/946033998.db2.gz ZRYMILTYYBCGEG-NSHDSACASA-N -1 1 388.457 0.591 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573470892 946037971 /nfs/dbraw/zinc/03/79/71/946037971.db2.gz KNVMSXVKPCHXEK-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573470892 946037981 /nfs/dbraw/zinc/03/79/81/946037981.db2.gz KNVMSXVKPCHXEK-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM CCn1ncc(C(=O)NC[C@@H]2CCCN2c2snc(C)c2-c2nn[n-]n2)n1 ZINC001571290298 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/nfs/dbraw/zinc/10/92/98/946109298.db2.gz KBICLJZCIMPSDQ-CHWSQXEVSA-N -1 1 389.439 0.128 20 0 GCADMM CC[C@@H](F)C(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571293513 946109310 /nfs/dbraw/zinc/10/93/10/946109310.db2.gz KBICLJZCIMPSDQ-CHWSQXEVSA-N -1 1 389.439 0.128 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001573476404 946118637 /nfs/dbraw/zinc/11/86/37/946118637.db2.gz GMPQVVJGIAAATP-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001573476404 946118645 /nfs/dbraw/zinc/11/86/45/946118645.db2.gz GMPQVVJGIAAATP-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573476858 946126039 /nfs/dbraw/zinc/12/60/39/946126039.db2.gz JZNZYNZRGNGIPI-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573476858 946126049 /nfs/dbraw/zinc/12/60/49/946126049.db2.gz 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CC(=O)N[C@@H](C)C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573478986 946154024 /nfs/dbraw/zinc/15/40/24/946154024.db2.gz ZUCUBKPUMFOKKU-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM O=C(N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCC(=O)NC1 ZINC001571295251 946156281 /nfs/dbraw/zinc/15/62/81/946156281.db2.gz QZJRCYMARCDKHI-RYUDHWBXSA-N -1 1 389.485 0.535 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)c1ccc(Cl)[nH]1 ZINC001571295179 946156615 /nfs/dbraw/zinc/15/66/15/946156615.db2.gz VJOLDFKZHQMVQJ-GZMMTYOYSA-N -1 1 389.807 0.008 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccc(Cl)[nH]1 ZINC001571295179 946156621 /nfs/dbraw/zinc/15/66/21/946156621.db2.gz VJOLDFKZHQMVQJ-GZMMTYOYSA-N -1 1 389.807 0.008 20 0 GCADMM O=C(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C(F)F)c1 ZINC001571295322 946159008 /nfs/dbraw/zinc/15/90/08/946159008.db2.gz XXDHHJJUVNTLFU-UHFFFAOYSA-N -1 1 390.358 0.647 20 0 GCADMM O=C(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C(F)F)c1 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390.423 0.521 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(N(C)C(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001571295806 946174798 /nfs/dbraw/zinc/17/47/98/946174798.db2.gz GIFWZJHCZHOQSH-KRWDZBQOSA-N -1 1 390.423 0.521 20 0 GCADMM O=C(NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccc(F)s1 ZINC001571295824 946176219 /nfs/dbraw/zinc/17/62/19/946176219.db2.gz GZAFGHWLSLYGND-SECBINFHSA-N -1 1 390.404 0.493 20 0 GCADMM O=C(c1sccc1F)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571295956 946178879 /nfs/dbraw/zinc/17/88/79/946178879.db2.gz KHDHZMRWMRWNCO-SECBINFHSA-N -1 1 390.404 0.810 20 0 GCADMM O=C(c1sccc1F)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571295956 946178884 /nfs/dbraw/zinc/17/88/84/946178884.db2.gz KHDHZMRWMRWNCO-SECBINFHSA-N -1 1 390.404 0.810 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573481409 946181551 /nfs/dbraw/zinc/18/15/51/946181551.db2.gz PLUJIPIRJOAKKA-JTQLQIEISA-N -1 1 392.489 0.489 20 0 GCADMM CC[C@H]1C[C@@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 ZINC001571295993 946182976 /nfs/dbraw/zinc/18/29/76/946182976.db2.gz LTKKSRIKNGMWRH-RYUDHWBXSA-N -1 1 390.448 0.960 20 0 GCADMM CC[C@H]1C[C@@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCO1 ZINC001571295993 946182991 /nfs/dbraw/zinc/18/29/91/946182991.db2.gz LTKKSRIKNGMWRH-RYUDHWBXSA-N -1 1 390.448 0.960 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2COCCN2c2snc(C)c2-c2nn[n-]n2)on1 ZINC001571296213 946186900 /nfs/dbraw/zinc/18/69/00/946186900.db2.gz QVGWWIHOMXXGJS-JTQLQIEISA-N -1 1 390.429 0.563 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)C3(F)CCOCC3)C2)n1 ZINC001571296318 946191107 /nfs/dbraw/zinc/19/11/07/946191107.db2.gz UTLRJVLWBHJFOH-LBPRGKRZSA-N -1 1 390.423 0.521 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)C3(F)CCOCC3)C2)n1 ZINC001571296318 946191112 /nfs/dbraw/zinc/19/11/12/946191112.db2.gz UTLRJVLWBHJFOH-LBPRGKRZSA-N -1 1 390.423 0.521 20 0 GCADMM CN(CC1CCN(C(=O)[C@@]2(F)CCOC2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571296412 946193245 /nfs/dbraw/zinc/19/32/45/946193245.db2.gz XEUGULBZPPWARL-QGZVFWFLSA-N -1 1 390.423 0.460 20 0 GCADMM CN(CC1CCN(C(=O)[C@@]2(F)CCOC2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571296412 946193253 /nfs/dbraw/zinc/19/32/53/946193253.db2.gz XEUGULBZPPWARL-QGZVFWFLSA-N -1 1 390.423 0.460 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)C1(F)CCOCC1)c1nccnc1-c1nnn[n-]1 ZINC001571296427 946193448 /nfs/dbraw/zinc/19/34/48/946193448.db2.gz XNDMTEUPAQISTG-GFCCVEGCSA-N -1 1 390.423 0.603 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)C1(F)CCOCC1)c1nccnc1-c1nn[n-]n1 ZINC001571296427 946193453 /nfs/dbraw/zinc/19/34/53/946193453.db2.gz XNDMTEUPAQISTG-GFCCVEGCSA-N -1 1 390.423 0.603 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571296418 946194242 /nfs/dbraw/zinc/19/42/42/946194242.db2.gz XIISXMJWLBWUAW-RYUDHWBXSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)C2(F)CCOCC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571296418 946194248 /nfs/dbraw/zinc/19/42/48/946194248.db2.gz XIISXMJWLBWUAW-RYUDHWBXSA-N -1 1 390.423 0.649 20 0 GCADMM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571297840 946199094 /nfs/dbraw/zinc/19/90/94/946199094.db2.gz BBKMDUNUKPETKS-NSHDSACASA-N -1 1 390.473 0.370 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)C2)c1-c1nn[n-]n1 ZINC001571297945 946201515 /nfs/dbraw/zinc/20/15/15/946201515.db2.gz FGCWYZYKTDBRBO-QWRGUYRKSA-N -1 1 390.473 0.337 20 0 GCADMM CS[C@H](C)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571297994 946204633 /nfs/dbraw/zinc/20/46/33/946204633.db2.gz GOHDQWZMDHTEOJ-BDJLRTHQSA-N -1 1 390.473 0.216 20 0 GCADMM CS[C@H](C)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571297994 946204644 /nfs/dbraw/zinc/20/46/44/946204644.db2.gz GOHDQWZMDHTEOJ-BDJLRTHQSA-N -1 1 390.473 0.216 20 0 GCADMM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCCC3=O)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571298110 946205823 /nfs/dbraw/zinc/20/58/23/946205823.db2.gz JTAWOEMJYBQLPW-MNOVXSKESA-N -1 1 390.473 0.655 20 0 GCADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571298440 946217306 /nfs/dbraw/zinc/21/73/06/946217306.db2.gz NVTJZRQYZPNDTA-MNOVXSKESA-N -1 1 390.473 0.337 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001571298593 946222611 /nfs/dbraw/zinc/22/26/11/946222611.db2.gz HIOFBQQCELGULD-BLLLJJGKSA-N -1 1 390.451 0.895 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573485482 946226028 /nfs/dbraw/zinc/22/60/28/946226028.db2.gz UBBJNXRKGYGLMH-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573485482 946226041 /nfs/dbraw/zinc/22/60/41/946226041.db2.gz UBBJNXRKGYGLMH-ZYHUDNBSSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573485481 946227540 /nfs/dbraw/zinc/22/75/40/946227540.db2.gz UBBJNXRKGYGLMH-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573485481 946227551 /nfs/dbraw/zinc/22/75/51/946227551.db2.gz UBBJNXRKGYGLMH-CMPLNLGQSA-N -1 1 375.437 0.124 20 0 GCADMM Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571298926 946231897 /nfs/dbraw/zinc/23/18/97/946231897.db2.gz RTINOVWZDKABSL-VHSXEESVSA-N -1 1 390.473 0.241 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573485929 946236395 /nfs/dbraw/zinc/23/63/95/946236395.db2.gz AZCBODJOISKCHK-NJUXHZRNSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573485929 946236404 /nfs/dbraw/zinc/23/64/04/946236404.db2.gz AZCBODJOISKCHK-NJUXHZRNSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H]1C ZINC001573486554 946241574 /nfs/dbraw/zinc/24/15/74/946241574.db2.gz HDAVFRQUXXMSAV-BHNWBGBOSA-N -1 1 398.880 0.585 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)[C@@H]1C ZINC001573486554 946241583 /nfs/dbraw/zinc/24/15/83/946241583.db2.gz HDAVFRQUXXMSAV-BHNWBGBOSA-N -1 1 398.880 0.585 20 0 GCADMM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)C2)c1-c1nn[n-]n1 ZINC001571299294 946244896 /nfs/dbraw/zinc/24/48/96/946244896.db2.gz VUOOKKDLTDFKMQ-MXWKQRLJSA-N -1 1 390.473 0.465 20 0 GCADMM Cc1nsc(N2CC[C@H](CNC(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571299275 946245760 /nfs/dbraw/zinc/24/57/60/946245760.db2.gz VKPGLIZHFOIJLE-GHMZBOCLSA-N -1 1 390.473 0.100 20 0 GCADMM Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571299445 946252109 /nfs/dbraw/zinc/25/21/09/946252109.db2.gz WIPXOJXRIUJBBD-QWRGUYRKSA-N -1 1 390.473 0.561 20 0 GCADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCC1CCCCCCC1 ZINC001571299482 946252570 /nfs/dbraw/zinc/25/25/70/946252570.db2.gz SFHLDTBPWYRFSY-UHFFFAOYSA-N -1 1 390.448 0.789 20 0 GCADMM Cc1nsc(N[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571299666 946258837 /nfs/dbraw/zinc/25/88/37/946258837.db2.gz YVUYWUJQJYGSKU-MWLCHTKSSA-N -1 1 390.473 0.513 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573488043 946263480 /nfs/dbraw/zinc/26/34/80/946263480.db2.gz XABDIXOAURUOPQ-LSJOCFKGSA-N -1 1 378.462 0.463 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573488064 946265626 /nfs/dbraw/zinc/26/56/26/946265626.db2.gz XGIOBDOYYBSIDM-ZDUSSCGKSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488547 946270130 /nfs/dbraw/zinc/27/01/30/946270130.db2.gz CBYJYFUPCLIXKL-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488547 946270138 /nfs/dbraw/zinc/27/01/38/946270138.db2.gz CBYJYFUPCLIXKL-NSHDSACASA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573488793 946277881 /nfs/dbraw/zinc/27/78/81/946277881.db2.gz MHSYQDSOWDUEDT-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573488793 946277895 /nfs/dbraw/zinc/27/78/95/946277895.db2.gz MHSYQDSOWDUEDT-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573488825 946277993 /nfs/dbraw/zinc/27/79/93/946277993.db2.gz NCHBMMZZAKPRIK-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573488825 946278006 /nfs/dbraw/zinc/27/80/06/946278006.db2.gz NCHBMMZZAKPRIK-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001573488918 946279602 /nfs/dbraw/zinc/27/96/02/946279602.db2.gz PWQBVBDJLKDZGU-HAQNSBGRSA-N -1 1 385.432 0.165 20 0 GCADMM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573488918 946279611 /nfs/dbraw/zinc/27/96/11/946279611.db2.gz PWQBVBDJLKDZGU-HAQNSBGRSA-N -1 1 385.432 0.165 20 0 GCADMM C[C@H]1CN(C(=O)c2ocnc2C(F)F)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571301761 946283442 /nfs/dbraw/zinc/28/34/42/946283442.db2.gz CFAJKRZCVWZLMI-YUMQZZPRSA-N -1 1 391.342 0.577 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573489083 946285936 /nfs/dbraw/zinc/28/59/36/946285936.db2.gz XCKSASHAMZHVBJ-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573489083 946285946 /nfs/dbraw/zinc/28/59/46/946285946.db2.gz XCKSASHAMZHVBJ-LLVKDONJSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573491861 946290411 /nfs/dbraw/zinc/29/04/11/946290411.db2.gz AWPBNTLFGQLVJY-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573491861 946290417 /nfs/dbraw/zinc/29/04/17/946290417.db2.gz AWPBNTLFGQLVJY-QFWMXSHPSA-N -1 1 387.448 0.268 20 0 GCADMM CN(C(=O)c1ocnc1C(F)F)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571302080 946292664 /nfs/dbraw/zinc/29/26/64/946292664.db2.gz NKSUDFIDAMPYSD-QMMMGPOBSA-N -1 1 391.342 0.933 20 0 GCADMM CN(C(=O)c1ocnc1C(F)F)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571302080 946292671 /nfs/dbraw/zinc/29/26/71/946292671.db2.gz NKSUDFIDAMPYSD-QMMMGPOBSA-N -1 1 391.342 0.933 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001571302233 946298570 /nfs/dbraw/zinc/29/85/70/946298570.db2.gz RYFVQWOKWSKKBW-UHFFFAOYSA-N -1 1 391.388 0.838 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001571302233 946298582 /nfs/dbraw/zinc/29/85/82/946298582.db2.gz RYFVQWOKWSKKBW-UHFFFAOYSA-N -1 1 391.388 0.838 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCc2cccnc21 ZINC001571302534 946305852 /nfs/dbraw/zinc/30/58/52/946305852.db2.gz AKZQARZMKDYIBE-KBPBESRZSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCc2cccnc21 ZINC001571302534 946305861 /nfs/dbraw/zinc/30/58/61/946305861.db2.gz AKZQARZMKDYIBE-KBPBESRZSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571302859 946319599 /nfs/dbraw/zinc/31/95/99/946319599.db2.gz HVZWAPGOHHEDRF-MRVWCRGKSA-N -1 1 391.439 0.773 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571302859 946319611 /nfs/dbraw/zinc/31/96/11/946319611.db2.gz HVZWAPGOHHEDRF-MRVWCRGKSA-N -1 1 391.439 0.773 20 0 GCADMM O=C(N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1(c2ccccn2)CC1 ZINC001571303013 946321885 /nfs/dbraw/zinc/32/18/85/946321885.db2.gz JFQARNPEDXKFEX-UHFFFAOYSA-N -1 1 391.439 0.822 20 0 GCADMM O=C(N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1(c2ccccn2)CC1 ZINC001571303013 946321896 /nfs/dbraw/zinc/32/18/96/946321896.db2.gz JFQARNPEDXKFEX-UHFFFAOYSA-N -1 1 391.439 0.822 20 0 GCADMM C[C@]1(NC(=O)[C@H]2CCc3cccnc32)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571303125 946326105 /nfs/dbraw/zinc/32/61/05/946326105.db2.gz HYAABPCAGQZHKB-DJJJIMSYSA-N -1 1 391.439 0.867 20 0 GCADMM C[C@]1(NC(=O)[C@H]2CCc3cccnc32)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571303125 946326118 /nfs/dbraw/zinc/32/61/18/946326118.db2.gz HYAABPCAGQZHKB-DJJJIMSYSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(CN1CCc2ccccc21)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571303275 946332447 /nfs/dbraw/zinc/33/24/47/946332447.db2.gz NGYXJTLQGWEGOS-CQSZACIVSA-N -1 1 391.439 0.414 20 0 GCADMM O=C(CN1CCc2ccccc21)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571303275 946332458 /nfs/dbraw/zinc/33/24/58/946332458.db2.gz NGYXJTLQGWEGOS-CQSZACIVSA-N -1 1 391.439 0.414 20 0 GCADMM CCC(CC)[C@H]1C[C@@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001571303641 946341388 /nfs/dbraw/zinc/34/13/88/946341388.db2.gz OKJPZGKQKPFYIB-WCQYABFASA-N -1 1 391.432 0.229 20 0 GCADMM CN1CCc2cc(C(=O)N3CC[C@H](Nc4cncc(-c5nnn[n-]5)n4)C3)ccc21 ZINC001571303614 946342606 /nfs/dbraw/zinc/34/26/06/946342606.db2.gz OEBGTLXEQALVPX-AWEZNQCLSA-N -1 1 391.439 0.976 20 0 GCADMM CN1CCc2cc(C(=O)N3CC[C@H](Nc4cncc(-c5nn[n-]n5)n4)C3)ccc21 ZINC001571303614 946342616 /nfs/dbraw/zinc/34/26/16/946342616.db2.gz OEBGTLXEQALVPX-AWEZNQCLSA-N -1 1 391.439 0.976 20 0 GCADMM CC(=O)NC1CCN(C(=O)CCCN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573497145 946344043 /nfs/dbraw/zinc/34/40/43/946344043.db2.gz LXIIPLHTMUTJRS-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001571303683 946344245 /nfs/dbraw/zinc/34/42/45/946344245.db2.gz PITISENWWHDIEH-DCAQKATOSA-N -1 1 391.436 0.439 20 0 GCADMM Cc1cccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@@]3(C)C2)n1 ZINC001571303734 946345113 /nfs/dbraw/zinc/34/51/13/946345113.db2.gz WWFWOWRWYVYPGU-YJYMSZOUSA-N -1 1 391.439 0.959 20 0 GCADMM Cc1cccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@@]3(C)C2)n1 ZINC001571303734 946345123 /nfs/dbraw/zinc/34/51/23/946345123.db2.gz WWFWOWRWYVYPGU-YJYMSZOUSA-N -1 1 391.439 0.959 20 0 GCADMM CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573497247 946345757 /nfs/dbraw/zinc/34/57/57/946345757.db2.gz ONQRNHHBRKYJNI-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573497247 946345772 /nfs/dbraw/zinc/34/57/72/946345772.db2.gz ONQRNHHBRKYJNI-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM CN(C(=O)[C@H]1Cc2cccnc2C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571303888 946349367 /nfs/dbraw/zinc/34/93/67/946349367.db2.gz SBQZOJQBLHNTPN-UONOGXRCSA-N -1 1 391.439 0.504 20 0 GCADMM CN(C(=O)[C@H]1Cc2cccnc2C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571303888 946349378 /nfs/dbraw/zinc/34/93/78/946349378.db2.gz SBQZOJQBLHNTPN-UONOGXRCSA-N -1 1 391.439 0.504 20 0 GCADMM CN(C(=O)[C@H]1Cc2cccnc2C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571303886 946350522 /nfs/dbraw/zinc/35/05/22/946350522.db2.gz SBQZOJQBLHNTPN-KBPBESRZSA-N -1 1 391.439 0.504 20 0 GCADMM CN(C(=O)[C@H]1Cc2cccnc2C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571303886 946350533 /nfs/dbraw/zinc/35/05/33/946350533.db2.gz SBQZOJQBLHNTPN-KBPBESRZSA-N -1 1 391.439 0.504 20 0 GCADMM O=C([C@@H]1CCc2cccnc21)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571303943 946352963 /nfs/dbraw/zinc/35/29/63/946352963.db2.gz ZXZSPJKIDCNDQG-CQSZACIVSA-N -1 1 391.439 0.820 20 0 GCADMM O=C([C@@H]1CCc2cccnc21)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571303943 946352972 /nfs/dbraw/zinc/35/29/72/946352972.db2.gz ZXZSPJKIDCNDQG-CQSZACIVSA-N -1 1 391.439 0.820 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571303983 946355024 /nfs/dbraw/zinc/35/50/24/946355024.db2.gz UHEVVZWAWBVOSI-BEAPCOKYSA-N -1 1 391.439 0.939 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571303983 946355031 /nfs/dbraw/zinc/35/50/31/946355031.db2.gz UHEVVZWAWBVOSI-BEAPCOKYSA-N -1 1 391.439 0.939 20 0 GCADMM CN1CCc2cc(C(=O)N[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)ccc21 ZINC001571304084 946357362 /nfs/dbraw/zinc/35/73/62/946357362.db2.gz XRMJWBXNVHDNPN-AWEZNQCLSA-N -1 1 391.439 0.658 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1 ZINC001571304081 946358020 /nfs/dbraw/zinc/35/80/20/946358020.db2.gz XPWMYWUIUBEZJQ-AWEZNQCLSA-N -1 1 391.439 0.821 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1 ZINC001571304081 946358031 /nfs/dbraw/zinc/35/80/31/946358031.db2.gz XPWMYWUIUBEZJQ-AWEZNQCLSA-N -1 1 391.439 0.821 20 0 GCADMM O=C(c1cccc(Cl)c1F)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571305461 946364618 /nfs/dbraw/zinc/36/46/18/946364618.db2.gz BTNHLCORUSSSRI-UHFFFAOYSA-N -1 1 391.750 0.619 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCCCCNC(=O)CC2)cc1-c1nn[n-]n1 ZINC001571305751 946373488 /nfs/dbraw/zinc/37/34/88/946373488.db2.gz BSKFUMJOVRMVBB-UHFFFAOYSA-N -1 1 391.457 0.822 20 0 GCADMM CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573500940 946377381 /nfs/dbraw/zinc/37/73/81/946377381.db2.gz LTSMABHFHQPYLE-ZDUSSCGKSA-N -1 1 375.408 0.175 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O)[C@@H]1CC1(F)F ZINC001571305876 946378442 /nfs/dbraw/zinc/37/84/42/946378442.db2.gz MTNFSFNQHSQENB-JKUQZMGJSA-N -1 1 391.791 0.298 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573501476 946378783 /nfs/dbraw/zinc/37/87/83/946378783.db2.gz PEBBCRUCYPIUPT-HTRCEHHLSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573501476 946378801 /nfs/dbraw/zinc/37/88/01/946378801.db2.gz PEBBCRUCYPIUPT-HTRCEHHLSA-N -1 1 384.853 0.372 20 0 GCADMM O=C(c1nc(Cl)cs1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571305990 946382431 /nfs/dbraw/zinc/38/24/31/946382431.db2.gz NLPSGPCBUSVQOL-MRVPVSSYSA-N -1 1 391.848 0.905 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1C ZINC001573502505 946387806 /nfs/dbraw/zinc/38/78/06/946387806.db2.gz WUCFXJYBRGMOFT-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H]1CN(C(=O)c2scnc2Cl)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571306080 946388412 /nfs/dbraw/zinc/38/84/12/946388412.db2.gz PDISTEMRJYSYIZ-JGVFFNPUSA-N -1 1 391.848 0.761 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O)c1ccccc1 ZINC001571306247 946393876 /nfs/dbraw/zinc/39/38/76/946393876.db2.gz RBPQOWOYINUJQA-ZJUUUORDSA-N -1 1 391.844 0.956 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O)c1ccccc1 ZINC001571306247 946393892 /nfs/dbraw/zinc/39/38/92/946393892.db2.gz RBPQOWOYINUJQA-ZJUUUORDSA-N -1 1 391.844 0.956 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503671 946395052 /nfs/dbraw/zinc/39/50/52/946395052.db2.gz BQTOPHVEQZHZOK-CABZTGNLSA-N -1 1 392.489 0.664 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503672 946395167 /nfs/dbraw/zinc/39/51/67/946395167.db2.gz BQTOPHVEQZHZOK-JOYOIKCWSA-N -1 1 392.489 0.664 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573503738 946398412 /nfs/dbraw/zinc/39/84/12/946398412.db2.gz BORKKDXFOLDUTB-BXKDBHETSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573504611 946410313 /nfs/dbraw/zinc/41/03/13/946410313.db2.gz HTWDCVWETQROJZ-QMTHXVAHSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573504611 946410319 /nfs/dbraw/zinc/41/03/19/946410319.db2.gz HTWDCVWETQROJZ-QMTHXVAHSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC(C)(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573505958 946425596 /nfs/dbraw/zinc/42/55/96/946425596.db2.gz PUYYYVBRRRHZHT-UHFFFAOYSA-N -1 1 378.462 0.561 20 0 GCADMM COC(=O)C1=NO[C@]2(CCN(C(=O)Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001571308614 946436002 /nfs/dbraw/zinc/43/60/02/946436002.db2.gz SJIJIFBQJLDYEX-CQSZACIVSA-N -1 1 392.401 0.557 20 0 GCADMM COC(=O)C1=NO[C@]2(CCN(C(=O)Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571308614 946436006 /nfs/dbraw/zinc/43/60/06/946436006.db2.gz SJIJIFBQJLDYEX-CQSZACIVSA-N -1 1 392.401 0.557 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573506774 946437657 /nfs/dbraw/zinc/43/76/57/946437657.db2.gz UAMNHRZZVZEKLO-INIZCTEOSA-N -1 1 390.473 0.197 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573507104 946442537 /nfs/dbraw/zinc/44/25/37/946442537.db2.gz UZRWCMKXGDROGS-GZMMTYOYSA-N -1 1 378.462 0.417 20 0 GCADMM CC(=O)NCC(=O)N1CCC(CCNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573507442 946445180 /nfs/dbraw/zinc/44/51/80/946445180.db2.gz XZJIBDZTWYIVAF-UHFFFAOYSA-N -1 1 387.448 0.142 20 0 GCADMM CC(=O)NCC(=O)N1CCC(CCNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573507442 946445188 /nfs/dbraw/zinc/44/51/88/946445188.db2.gz XZJIBDZTWYIVAF-UHFFFAOYSA-N -1 1 387.448 0.142 20 0 GCADMM C[C@@]1(NC(=O)[C@H]2COc3ccccc32)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571309523 946446686 /nfs/dbraw/zinc/44/66/86/946446686.db2.gz CJEVBICTARDXJN-ORAYPTAESA-N -1 1 392.423 0.918 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCO2 ZINC001571309498 946446936 /nfs/dbraw/zinc/44/69/36/946446936.db2.gz BOMZFYTXQYIGHA-VDISTLRHSA-N -1 1 392.423 0.634 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309549 946447337 /nfs/dbraw/zinc/44/73/37/946447337.db2.gz DCWPQOONQCJVKH-BXUZGUMPSA-N -1 1 392.423 0.729 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573507687 946450077 /nfs/dbraw/zinc/45/00/77/946450077.db2.gz WROVEEYNJHGXBN-FZMZJTMJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573507687 946450096 /nfs/dbraw/zinc/45/00/96/946450096.db2.gz WROVEEYNJHGXBN-FZMZJTMJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573508238 946454958 /nfs/dbraw/zinc/45/49/58/946454958.db2.gz YTHAPGMDKGBITK-JOYOIKCWSA-N -1 1 392.489 0.807 20 0 GCADMM O=C([C@H]1Cc2ccccc2O1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571309896 946457240 /nfs/dbraw/zinc/45/72/40/946457240.db2.gz OUQDEDWXUYIMFG-OAHLLOKOSA-N -1 1 392.423 0.699 20 0 GCADMM O=C([C@H]1Cc2ccccc2O1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571309896 946457248 /nfs/dbraw/zinc/45/72/48/946457248.db2.gz OUQDEDWXUYIMFG-OAHLLOKOSA-N -1 1 392.423 0.699 20 0 GCADMM C[C@]1(NC(=O)c2cccc3c2OCC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571310048 946460807 /nfs/dbraw/zinc/46/08/07/946460807.db2.gz SYZVQQFRFKGQBK-IBGZPJMESA-N -1 1 392.423 0.990 20 0 GCADMM O=C(C[C@H]1Cc2ccccc2O1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310090 946461745 /nfs/dbraw/zinc/46/17/45/946461745.db2.gz UXUYAMSGCWYGJS-UONOGXRCSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(C[C@H]1Cc2ccccc2O1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310090 946461754 /nfs/dbraw/zinc/46/17/54/946461754.db2.gz UXUYAMSGCWYGJS-UONOGXRCSA-N -1 1 392.423 0.745 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573509569 946464170 /nfs/dbraw/zinc/46/41/70/946464170.db2.gz OFLBNFAEPITZRB-BXKDBHETSA-N -1 1 392.489 0.949 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573509581 946464215 /nfs/dbraw/zinc/46/42/15/946464215.db2.gz OFLBNFAEPITZRB-SKDRFNHKSA-N -1 1 392.489 0.949 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1OCCc2ccccc21 ZINC001571310152 946464142 /nfs/dbraw/zinc/46/41/42/946464142.db2.gz WXLXRZSGEHOZSM-SUMWQHHRSA-N -1 1 392.423 0.666 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1OCCc2ccccc21 ZINC001571310152 946464152 /nfs/dbraw/zinc/46/41/52/946464152.db2.gz WXLXRZSGEHOZSM-SUMWQHHRSA-N -1 1 392.423 0.666 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c(C)c1 ZINC001571310237 946465655 /nfs/dbraw/zinc/46/56/55/946465655.db2.gz ZFZVCPDGIPSHEL-HALDLXJZSA-N -1 1 392.423 0.838 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c(C)c1 ZINC001571310237 946465658 /nfs/dbraw/zinc/46/56/58/946465658.db2.gz ZFZVCPDGIPSHEL-HALDLXJZSA-N -1 1 392.423 0.838 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571310522 946473065 /nfs/dbraw/zinc/47/30/65/946473065.db2.gz IOVDVGWELGZRDX-VHSXEESVSA-N -1 1 392.445 0.215 20 0 GCADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571310570 946475470 /nfs/dbraw/zinc/47/54/70/946475470.db2.gz JCHJMJYVKNHSQR-VFZGTOFNSA-N -1 1 392.445 0.391 20 0 GCADMM Cc1nsc(NCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571310561 946475664 /nfs/dbraw/zinc/47/56/64/946475664.db2.gz JADDOUGHDPCEGY-JTQLQIEISA-N -1 1 392.445 0.391 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573510769 946480363 /nfs/dbraw/zinc/48/03/63/946480363.db2.gz KPGVIQIJTRQLOW-CQSZACIVSA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)NCC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573510769 946480367 /nfs/dbraw/zinc/48/03/67/946480367.db2.gz KPGVIQIJTRQLOW-CQSZACIVSA-N -1 1 387.448 0.188 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571310863 946481813 /nfs/dbraw/zinc/48/18/13/946481813.db2.gz OMJKTYDSEVLMQH-JSGCOSHPSA-N -1 1 392.439 0.441 20 0 GCADMM CCOC(=O)[C@@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC001571311009 946481862 /nfs/dbraw/zinc/48/18/62/946481862.db2.gz PQAYIDVAKHTLPJ-QMMMGPOBSA-N -1 1 392.441 0.960 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cncnc1C1CC1 ZINC001571312376 946489071 /nfs/dbraw/zinc/48/90/71/946489071.db2.gz AYWMWKFWMMBMAW-LBPRGKRZSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cncnc1C1CC1 ZINC001571312376 946489076 /nfs/dbraw/zinc/48/90/76/946489076.db2.gz AYWMWKFWMMBMAW-LBPRGKRZSA-N -1 1 392.427 0.723 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)nn1 ZINC001571312366 946489423 /nfs/dbraw/zinc/48/94/23/946489423.db2.gz ATCIVEZQTWOHFO-SFHVURJKSA-N -1 1 392.427 0.498 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)nn1 ZINC001571312366 946489428 /nfs/dbraw/zinc/48/94/28/946489428.db2.gz ATCIVEZQTWOHFO-SFHVURJKSA-N -1 1 392.427 0.498 20 0 GCADMM Cc1nsc(NCC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571311508 946489725 /nfs/dbraw/zinc/48/97/25/946489725.db2.gz ZJBHTLGQYHQJTL-ZJUUUORDSA-N -1 1 392.445 0.391 20 0 GCADMM COC(=O)[C@@H](O)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001571311538 946489781 /nfs/dbraw/zinc/48/97/81/946489781.db2.gz ZPFOJVMNDPPSAG-NSHDSACASA-N -1 1 392.441 0.515 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1COc2ccccc2C1 ZINC001571312510 946493541 /nfs/dbraw/zinc/49/35/41/946493541.db2.gz GJWLTHCPOYHLKC-IHRRRGAJSA-N -1 1 392.423 0.967 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1COc2ccccc2C1 ZINC001571312510 946493552 /nfs/dbraw/zinc/49/35/52/946493552.db2.gz GJWLTHCPOYHLKC-IHRRRGAJSA-N -1 1 392.423 0.967 20 0 GCADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571312494 946494345 /nfs/dbraw/zinc/49/43/45/946494345.db2.gz FZRFBNFFDIJPIG-GWCFXTLKSA-N -1 1 392.427 0.319 20 0 GCADMM O=C(c1ccncn1)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C1 ZINC001571312537 946494683 /nfs/dbraw/zinc/49/46/83/946494683.db2.gz HBEFUKANGIEKJW-YNEHKIRRSA-N -1 1 392.427 0.800 20 0 GCADMM O=C(c1ccncn1)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C1 ZINC001571312537 946494689 /nfs/dbraw/zinc/49/46/89/946494689.db2.gz HBEFUKANGIEKJW-YNEHKIRRSA-N -1 1 392.427 0.800 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573512174 946495342 /nfs/dbraw/zinc/49/53/42/946495342.db2.gz VGOCTWWLFAUSQP-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573512174 946495347 /nfs/dbraw/zinc/49/53/47/946495347.db2.gz VGOCTWWLFAUSQP-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)cn1 ZINC001571312589 946495859 /nfs/dbraw/zinc/49/58/59/946495859.db2.gz IAQUOJGJJIHYMZ-SFHVURJKSA-N -1 1 392.427 0.498 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)cn1 ZINC001571312589 946495865 /nfs/dbraw/zinc/49/58/65/946495865.db2.gz IAQUOJGJJIHYMZ-SFHVURJKSA-N -1 1 392.427 0.498 20 0 GCADMM CC(=O)NCC(=O)N[C@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573512167 946496098 /nfs/dbraw/zinc/49/60/98/946496098.db2.gz VEPDUIFGEJSZFZ-OAHLLOKOSA-N -1 1 378.462 0.465 20 0 GCADMM O=C(c1cnc2n1CCC2)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571312613 946496837 /nfs/dbraw/zinc/49/68/37/946496837.db2.gz IWONFHXOKUPEHW-TXEJJXNPSA-N -1 1 392.427 0.008 20 0 GCADMM O=C(c1cnc2n1CCC2)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571312613 946496844 /nfs/dbraw/zinc/49/68/44/946496844.db2.gz IWONFHXOKUPEHW-TXEJJXNPSA-N -1 1 392.427 0.008 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571312628 946498395 /nfs/dbraw/zinc/49/83/95/946498395.db2.gz JESJIRMNDSGREQ-STQMWFEESA-N -1 1 392.427 0.908 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571312628 946498401 /nfs/dbraw/zinc/49/84/01/946498401.db2.gz JESJIRMNDSGREQ-STQMWFEESA-N -1 1 392.427 0.908 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571312781 946499745 /nfs/dbraw/zinc/49/97/45/946499745.db2.gz KEFPZZUYNDRRAN-OLZOCXBDSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571312781 946499750 /nfs/dbraw/zinc/49/97/50/946499750.db2.gz KEFPZZUYNDRRAN-OLZOCXBDSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(c1ccncn1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571312803 946502281 /nfs/dbraw/zinc/50/22/81/946502281.db2.gz KLDOPBDKJUFSEW-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccncn1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571312803 946502287 /nfs/dbraw/zinc/50/22/87/946502287.db2.gz KLDOPBDKJUFSEW-GOSISDBHSA-N -1 1 392.427 0.579 20 0 GCADMM CC(C)c1ncncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571312917 946505322 /nfs/dbraw/zinc/50/53/22/946505322.db2.gz MABIRSFTRZVRJF-RYUDHWBXSA-N -1 1 392.427 0.673 20 0 GCADMM CC(C)c1ncncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571312917 946505330 /nfs/dbraw/zinc/50/53/30/946505330.db2.gz MABIRSFTRZVRJF-RYUDHWBXSA-N -1 1 392.427 0.673 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccc2c1OCC2 ZINC001571312916 946505893 /nfs/dbraw/zinc/50/58/93/946505893.db2.gz LZEIAJVACXPWGB-ZDUSSCGKSA-N -1 1 392.423 0.990 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccc2c1OCC2 ZINC001571312916 946505903 /nfs/dbraw/zinc/50/59/03/946505903.db2.gz LZEIAJVACXPWGB-ZDUSSCGKSA-N -1 1 392.423 0.990 20 0 GCADMM O=C(CCc1cncnc1)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571312905 946506144 /nfs/dbraw/zinc/50/61/44/946506144.db2.gz LXKGUCHQVMYQOH-UONOGXRCSA-N -1 1 392.427 0.117 20 0 GCADMM O=C(CCc1cncnc1)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571312905 946506153 /nfs/dbraw/zinc/50/61/53/946506153.db2.gz LXKGUCHQVMYQOH-UONOGXRCSA-N -1 1 392.427 0.117 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cnccn2)n1 ZINC001571313058 946509437 /nfs/dbraw/zinc/50/94/37/946509437.db2.gz MODIPSCOAYZNFH-LSDHHAIUSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cnccn2)n1 ZINC001571313058 946509447 /nfs/dbraw/zinc/50/94/47/946509447.db2.gz MODIPSCOAYZNFH-LSDHHAIUSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC001571313088 946510802 /nfs/dbraw/zinc/51/08/02/946510802.db2.gz NKKOSTYPMFRMBT-IUODEOHRSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1ccncn1)N1CCC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC001571313088 946510809 /nfs/dbraw/zinc/51/08/09/946510809.db2.gz NKKOSTYPMFRMBT-IUODEOHRSA-N -1 1 392.427 0.578 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)n1 ZINC001571313113 946512075 /nfs/dbraw/zinc/51/20/75/946512075.db2.gz OGEAPKPROPZAQZ-CHWSQXEVSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)n1 ZINC001571313113 946512080 /nfs/dbraw/zinc/51/20/80/946512080.db2.gz OGEAPKPROPZAQZ-CHWSQXEVSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571313153 946512162 /nfs/dbraw/zinc/51/21/62/946512162.db2.gz OXRITHOKJYGKRZ-ZIAGYGMSSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571313153 946512169 /nfs/dbraw/zinc/51/21/69/946512169.db2.gz OXRITHOKJYGKRZ-ZIAGYGMSSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(c1cn[nH]c1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571313121 946512744 /nfs/dbraw/zinc/51/27/44/946512744.db2.gz OJWLDVHFGHZSCF-PYJNHQTQSA-N -1 1 392.427 0.367 20 0 GCADMM O=C(c1cn[nH]c1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571313121 946512753 /nfs/dbraw/zinc/51/27/53/946512753.db2.gz OJWLDVHFGHZSCF-PYJNHQTQSA-N -1 1 392.427 0.367 20 0 GCADMM O=C(c1ccnnc1)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571313339 946517226 /nfs/dbraw/zinc/51/72/26/946517226.db2.gz QABZARWREXBVGX-UHFFFAOYSA-N -1 1 392.427 0.579 20 0 GCADMM O=C(c1ccnnc1)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571313339 946517238 /nfs/dbraw/zinc/51/72/38/946517238.db2.gz QABZARWREXBVGX-UHFFFAOYSA-N -1 1 392.427 0.579 20 0 GCADMM C[C@@]1(NC(=O)c2ccnc(C3CC3)n2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313317 946517700 /nfs/dbraw/zinc/51/77/00/946517700.db2.gz PTWUWVISJVAVRK-GOSISDBHSA-N -1 1 392.427 0.723 20 0 GCADMM Cc1nccc(C(=O)N[C@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571313276 946518326 /nfs/dbraw/zinc/51/83/26/946518326.db2.gz PJBWENIXRQETPP-KDOFPFPSSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1nccc(C(=O)N[C@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571313276 946518330 /nfs/dbraw/zinc/51/83/30/946518330.db2.gz PJBWENIXRQETPP-KDOFPFPSSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)cnn1 ZINC001571313266 946518555 /nfs/dbraw/zinc/51/85/55/946518555.db2.gz PFOQOHZSNNAEEU-OCCSQVGLSA-N -1 1 392.427 0.354 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)cnn1 ZINC001571313266 946518560 /nfs/dbraw/zinc/51/85/60/946518560.db2.gz PFOQOHZSNNAEEU-OCCSQVGLSA-N -1 1 392.427 0.354 20 0 GCADMM CC(=O)NCC(=O)NC1CC(CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573514161 946519942 /nfs/dbraw/zinc/51/99/42/946519942.db2.gz TZDUAUFATGZSLT-UHFFFAOYSA-N -1 1 384.853 0.419 20 0 GCADMM Cc1nnccc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001571313392 946521262 /nfs/dbraw/zinc/52/12/62/946521262.db2.gz QNZPCJLUDJRJHV-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1nnccc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001571313392 946521271 /nfs/dbraw/zinc/52/12/71/946521271.db2.gz QNZPCJLUDJRJHV-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM O=C(CCc1cnccn1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571313427 946522094 /nfs/dbraw/zinc/52/20/94/946522094.db2.gz QVVIPQJOGHBELK-OKILXGFUSA-N -1 1 392.427 0.259 20 0 GCADMM CC(=O)NCC(=O)NC1(CNc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573514229 946522723 /nfs/dbraw/zinc/52/27/23/946522723.db2.gz VPXXVTRYBIGJRH-UHFFFAOYSA-N -1 1 378.462 0.609 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnc(C2CC2)nc1 ZINC001571313446 946523471 /nfs/dbraw/zinc/52/34/71/946523471.db2.gz RGIKQBUCCANFQM-ZDUSSCGKSA-N -1 1 392.427 0.723 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573514306 946525567 /nfs/dbraw/zinc/52/55/67/946525567.db2.gz WYHQAAMSSIWTCS-ZDUSSCGKSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573514306 946525581 /nfs/dbraw/zinc/52/55/81/946525581.db2.gz WYHQAAMSSIWTCS-ZDUSSCGKSA-N -1 1 384.853 0.198 20 0 GCADMM Cc1nccc(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)n1 ZINC001571313833 946534601 /nfs/dbraw/zinc/53/46/01/946534601.db2.gz WIJAXEFJXJCTDE-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1nccc(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)n1 ZINC001571313833 946534609 /nfs/dbraw/zinc/53/46/09/946534609.db2.gz WIJAXEFJXJCTDE-UHFFFAOYSA-N -1 1 392.427 0.908 20 0 GCADMM C[C@@]1(NC(=O)c2cnc(C3CC3)nc2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571313907 946536647 /nfs/dbraw/zinc/53/66/47/946536647.db2.gz XHJQTRBWVSZTIT-GOSISDBHSA-N -1 1 392.427 0.723 20 0 GCADMM C[C@@]1(NC(=O)c2cnc(C3CC3)nc2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571313907 946536652 /nfs/dbraw/zinc/53/66/52/946536652.db2.gz XHJQTRBWVSZTIT-GOSISDBHSA-N -1 1 392.427 0.723 20 0 GCADMM CC(=O)NC1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823989474 946536735 /nfs/dbraw/zinc/53/67/35/946536735.db2.gz YUEWQRRFSKQQGV-UHFFFAOYSA-N -1 1 382.421 0.731 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)nn1 ZINC001571313922 946537768 /nfs/dbraw/zinc/53/77/68/946537768.db2.gz XMWCYPKTUDUTEZ-QWHCGFSZSA-N -1 1 392.427 0.330 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001573515344 946543523 /nfs/dbraw/zinc/54/35/23/946543523.db2.gz LBLHWFNKGSVGSI-NSHDSACASA-N -1 1 392.489 0.489 20 0 GCADMM CC(=O)NCC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCCCC1 ZINC001573517202 946567204 /nfs/dbraw/zinc/56/72/04/946567204.db2.gz DTFJGIIFYFTDDX-UHFFFAOYSA-N -1 1 392.489 0.999 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573517515 946575183 /nfs/dbraw/zinc/57/51/83/946575183.db2.gz LWUOJLRHZLTJHD-CQSZACIVSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573517515 946575194 /nfs/dbraw/zinc/57/51/94/946575194.db2.gz LWUOJLRHZLTJHD-CQSZACIVSA-N -1 1 381.400 0.062 20 0 GCADMM CO[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@@H]1CCOC1 ZINC001571317668 946616553 /nfs/dbraw/zinc/61/65/53/946616553.db2.gz QINHMCHHADDEAL-IUODEOHRSA-N -1 1 392.485 0.624 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CCN1c1cnccn1 ZINC001571317780 946621904 /nfs/dbraw/zinc/62/19/04/946621904.db2.gz VSCDVNVSMYFNDF-JTQLQIEISA-N -1 1 392.470 0.618 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573522097 946623024 /nfs/dbraw/zinc/62/30/24/946623024.db2.gz AMTZDFXPDSNQBZ-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573522097 946623029 /nfs/dbraw/zinc/62/30/29/946623029.db2.gz AMTZDFXPDSNQBZ-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573522335 946624756 /nfs/dbraw/zinc/62/47/56/946624756.db2.gz CVZMOTMOIWDKDO-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573522335 946624764 /nfs/dbraw/zinc/62/47/64/946624764.db2.gz CVZMOTMOIWDKDO-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573522456 946628020 /nfs/dbraw/zinc/62/80/20/946628020.db2.gz GFGSRRYBTMSISD-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573522456 946628029 /nfs/dbraw/zinc/62/80/29/946628029.db2.gz GFGSRRYBTMSISD-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573522960 946632832 /nfs/dbraw/zinc/63/28/32/946632832.db2.gz NOOOSMXHZXZUGA-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573522960 946632841 /nfs/dbraw/zinc/63/28/41/946632841.db2.gz NOOOSMXHZXZUGA-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573522942 946632998 /nfs/dbraw/zinc/63/29/98/946632998.db2.gz NFNXXBUCBBUNIK-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573522942 946633008 /nfs/dbraw/zinc/63/30/08/946633008.db2.gz NFNXXBUCBBUNIK-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573523617 946636760 /nfs/dbraw/zinc/63/67/60/946636760.db2.gz STZOYRWWOPQRBH-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573523617 946636768 /nfs/dbraw/zinc/63/67/68/946636768.db2.gz STZOYRWWOPQRBH-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573523741 946638430 /nfs/dbraw/zinc/63/84/30/946638430.db2.gz WJASOVMSSABBAO-LBPRGKRZSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573523741 946638440 /nfs/dbraw/zinc/63/84/40/946638440.db2.gz WJASOVMSSABBAO-LBPRGKRZSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573523864 946638626 /nfs/dbraw/zinc/63/86/26/946638626.db2.gz XRLPYPOUEYQWIA-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573523864 946638632 /nfs/dbraw/zinc/63/86/32/946638632.db2.gz XRLPYPOUEYQWIA-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573523876 946639496 /nfs/dbraw/zinc/63/94/96/946639496.db2.gz XUMWWXUGDFLVBP-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573523876 946639501 /nfs/dbraw/zinc/63/95/01/946639501.db2.gz XUMWWXUGDFLVBP-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573527545 946644582 /nfs/dbraw/zinc/64/45/82/946644582.db2.gz CEXOZJBIFHOACP-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573527545 946644590 /nfs/dbraw/zinc/64/45/90/946644590.db2.gz CEXOZJBIFHOACP-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573527710 946646767 /nfs/dbraw/zinc/64/67/67/946646767.db2.gz FJUCQNPIMRTWIV-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573527710 946646777 /nfs/dbraw/zinc/64/67/77/946646777.db2.gz FJUCQNPIMRTWIV-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573527921 946650438 /nfs/dbraw/zinc/65/04/38/946650438.db2.gz LUZHTYCKSUPKNM-JTQLQIEISA-N -1 1 389.464 0.434 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573527921 946650442 /nfs/dbraw/zinc/65/04/42/946650442.db2.gz LUZHTYCKSUPKNM-JTQLQIEISA-N -1 1 389.464 0.434 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573528008 946653411 /nfs/dbraw/zinc/65/34/11/946653411.db2.gz PCDOXAFMDBZOLA-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573528008 946653422 /nfs/dbraw/zinc/65/34/22/946653422.db2.gz PCDOXAFMDBZOLA-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001573528039 946654146 /nfs/dbraw/zinc/65/41/46/946654146.db2.gz QMCQUYVLZUXQSN-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001573528039 946654159 /nfs/dbraw/zinc/65/41/59/946654159.db2.gz QMCQUYVLZUXQSN-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573528136 946657293 /nfs/dbraw/zinc/65/72/93/946657293.db2.gz VSTHDZBCLFOVAL-NSHDSACASA-N -1 1 389.464 0.068 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573528136 946657300 /nfs/dbraw/zinc/65/73/00/946657300.db2.gz VSTHDZBCLFOVAL-NSHDSACASA-N -1 1 389.464 0.068 20 0 GCADMM CC(=O)NC[C@H]1CN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001573529925 946681466 /nfs/dbraw/zinc/68/14/66/946681466.db2.gz PIQYWWQRBYVOST-ZETCQYMHSA-N -1 1 386.825 0.345 20 0 GCADMM CC(=O)NCc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001573533235 946711716 /nfs/dbraw/zinc/71/17/16/946711716.db2.gz LHESJNRLDOULOG-UHFFFAOYSA-N -1 1 376.398 0.574 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C)C(C)C ZINC001573536403 946734600 /nfs/dbraw/zinc/73/46/00/946734600.db2.gz WGTIRHFEWPEWGT-SWLSCSKDSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C)C(C)C ZINC001573536403 946734610 /nfs/dbraw/zinc/73/46/10/946734610.db2.gz WGTIRHFEWPEWGT-SWLSCSKDSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536743 946739841 /nfs/dbraw/zinc/73/98/41/946739841.db2.gz BQIQLNXLCOXGOL-IUODEOHRSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536743 946739850 /nfs/dbraw/zinc/73/98/50/946739850.db2.gz BQIQLNXLCOXGOL-IUODEOHRSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573536730 946740339 /nfs/dbraw/zinc/74/03/39/946740339.db2.gz AZNDJBJMARAXMT-QWHCGFSZSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573536730 946740340 /nfs/dbraw/zinc/74/03/40/946740340.db2.gz AZNDJBJMARAXMT-QWHCGFSZSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573537099 946742590 /nfs/dbraw/zinc/74/25/90/946742590.db2.gz HHEKDYKUWJPQOE-IUODEOHRSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573537099 946742594 /nfs/dbraw/zinc/74/25/94/946742594.db2.gz HHEKDYKUWJPQOE-IUODEOHRSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573537060 946742648 /nfs/dbraw/zinc/74/26/48/946742648.db2.gz FYQUEHXPRKOFKE-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573537060 946742655 /nfs/dbraw/zinc/74/26/55/946742655.db2.gz FYQUEHXPRKOFKE-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C(C)C ZINC001573537405 946747605 /nfs/dbraw/zinc/74/76/05/946747605.db2.gz NIVWHFKOHAEWEF-CHWSQXEVSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C(C)C ZINC001573537405 946747614 /nfs/dbraw/zinc/74/76/14/946747614.db2.gz NIVWHFKOHAEWEF-CHWSQXEVSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573537461 946750204 /nfs/dbraw/zinc/75/02/04/946750204.db2.gz BZEQCDROWCVYEM-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573537461 946750215 /nfs/dbraw/zinc/75/02/15/946750215.db2.gz BZEQCDROWCVYEM-YPMHNXCESA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573537565 946753230 /nfs/dbraw/zinc/75/32/30/946753230.db2.gz OYPYSZNMVWSJQS-IINYFYTJSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573537565 946753239 /nfs/dbraw/zinc/75/32/39/946753239.db2.gz OYPYSZNMVWSJQS-IINYFYTJSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573537869 946757428 /nfs/dbraw/zinc/75/74/28/946757428.db2.gz LSQJEIIHQRUXSP-AVGNSLFASA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573537869 946757441 /nfs/dbraw/zinc/75/74/41/946757441.db2.gz LSQJEIIHQRUXSP-AVGNSLFASA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573537940 946759742 /nfs/dbraw/zinc/75/97/42/946759742.db2.gz NLUJMETUDYLURM-AAEUAGOBSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573537940 946759745 /nfs/dbraw/zinc/75/97/45/946759745.db2.gz NLUJMETUDYLURM-AAEUAGOBSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573538228 946764900 /nfs/dbraw/zinc/76/49/00/946764900.db2.gz QFRWVZUOUSZWCC-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573538228 946764902 /nfs/dbraw/zinc/76/49/02/946764902.db2.gz QFRWVZUOUSZWCC-JQWIXIFHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573538283 946767784 /nfs/dbraw/zinc/76/77/84/946767784.db2.gz SIOYBRRKSUJTFW-SCRDCRAPSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573538283 946767793 /nfs/dbraw/zinc/76/77/93/946767793.db2.gz SIOYBRRKSUJTFW-SCRDCRAPSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573540418 946775533 /nfs/dbraw/zinc/77/55/33/946775533.db2.gz DJBJIJYIFUASAS-QWHCGFSZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573540418 946775541 /nfs/dbraw/zinc/77/55/41/946775541.db2.gz DJBJIJYIFUASAS-QWHCGFSZSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573540384 946776348 /nfs/dbraw/zinc/77/63/48/946776348.db2.gz BZGMWXSQYAYJOE-GXFFZTMASA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573540384 946776357 /nfs/dbraw/zinc/77/63/57/946776357.db2.gz BZGMWXSQYAYJOE-GXFFZTMASA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573540568 946778154 /nfs/dbraw/zinc/77/81/54/946778154.db2.gz GFNBAOWVNXIIEV-ZWNOBZJWSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573540568 946778157 /nfs/dbraw/zinc/77/81/57/946778157.db2.gz GFNBAOWVNXIIEV-ZWNOBZJWSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573540587 946778504 /nfs/dbraw/zinc/77/85/04/946778504.db2.gz GUNRBYBMZJLZJR-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573540587 946778518 /nfs/dbraw/zinc/77/85/18/946778518.db2.gz GUNRBYBMZJLZJR-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573541067 946783116 /nfs/dbraw/zinc/78/31/16/946783116.db2.gz NJRLFHVSUMWUBK-MUBLQREKSA-N -1 1 387.448 0.292 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573541067 946783123 /nfs/dbraw/zinc/78/31/23/946783123.db2.gz NJRLFHVSUMWUBK-MUBLQREKSA-N -1 1 387.448 0.292 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541255 946785250 /nfs/dbraw/zinc/78/52/50/946785250.db2.gz PPAYZZVXMHTMJN-QMTHXVAHSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541255 946785252 /nfs/dbraw/zinc/78/52/52/946785252.db2.gz PPAYZZVXMHTMJN-QMTHXVAHSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)(C)C ZINC001573541250 946785965 /nfs/dbraw/zinc/78/59/65/946785965.db2.gz PLYQXWPLAMNRNV-UHIISALHSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573541250 946785969 /nfs/dbraw/zinc/78/59/69/946785969.db2.gz PLYQXWPLAMNRNV-UHIISALHSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573541892 946789809 /nfs/dbraw/zinc/78/98/09/946789809.db2.gz XBKCLWNFSMBYIX-WCQYABFASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573541892 946789818 /nfs/dbraw/zinc/78/98/18/946789818.db2.gz XBKCLWNFSMBYIX-WCQYABFASA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573541905 946790301 /nfs/dbraw/zinc/79/03/01/946790301.db2.gz XUNUPORXZARARS-SMDDNHRTSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573541905 946790310 /nfs/dbraw/zinc/79/03/10/946790310.db2.gz XUNUPORXZARARS-SMDDNHRTSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001573541917 946791050 /nfs/dbraw/zinc/79/10/50/946791050.db2.gz YENTYUDETQIFHJ-CYBMUJFWSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001573541917 946791056 /nfs/dbraw/zinc/79/10/56/946791056.db2.gz YENTYUDETQIFHJ-CYBMUJFWSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573541939 946792521 /nfs/dbraw/zinc/79/25/21/946792521.db2.gz ZAAYKAYNRWMEHZ-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573541939 946792527 /nfs/dbraw/zinc/79/25/27/946792527.db2.gz ZAAYKAYNRWMEHZ-WCQYABFASA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573541944 946793487 /nfs/dbraw/zinc/79/34/87/946793487.db2.gz ZDSSZGZBLBBWIZ-SMDDNHRTSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573541944 946793495 /nfs/dbraw/zinc/79/34/95/946793495.db2.gz ZDSSZGZBLBBWIZ-SMDDNHRTSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573542311 946794349 /nfs/dbraw/zinc/79/43/49/946794349.db2.gz GFRFEXUIECXBHO-FRRDWIJNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573542311 946794360 /nfs/dbraw/zinc/79/43/60/946794360.db2.gz GFRFEXUIECXBHO-FRRDWIJNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573542248 946795385 /nfs/dbraw/zinc/79/53/85/946795385.db2.gz DDRAGMRPNBHBBU-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573542248 946795394 /nfs/dbraw/zinc/79/53/94/946795394.db2.gz DDRAGMRPNBHBBU-GXFFZTMASA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573542275 946795892 /nfs/dbraw/zinc/79/58/92/946795892.db2.gz FPOCKXYELZQKBW-FRRDWIJNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573542275 946795898 /nfs/dbraw/zinc/79/58/98/946795898.db2.gz FPOCKXYELZQKBW-FRRDWIJNSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573542671 946796651 /nfs/dbraw/zinc/79/66/51/946796651.db2.gz KRMHYSNMBWMXHK-SMDDNHRTSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573542671 946796658 /nfs/dbraw/zinc/79/66/58/946796658.db2.gz KRMHYSNMBWMXHK-SMDDNHRTSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573542687 946799547 /nfs/dbraw/zinc/79/95/47/946799547.db2.gz KYQKCEZIAPVULE-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573542687 946799555 /nfs/dbraw/zinc/79/95/55/946799555.db2.gz KYQKCEZIAPVULE-ZWNOBZJWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)Nc1cc(C(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)ccn1 ZINC001573543389 946810357 /nfs/dbraw/zinc/81/03/57/946810357.db2.gz YJRLPJYEOIMTTI-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1cc(C(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)ccn1 ZINC001573543389 946810366 /nfs/dbraw/zinc/81/03/66/946810366.db2.gz YJRLPJYEOIMTTI-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1ccc2c(c1)CN(C(=O)[C@@H](C)n1cnc(-c3nn[n-]n3)n1)CC2 ZINC001573546907 946820713 /nfs/dbraw/zinc/82/07/13/946820713.db2.gz RATHMRXTNUUZEE-SNVBAGLBSA-N -1 1 381.400 0.563 20 0 GCADMM CC(=O)Nc1ccc2c(c1)CN(C(=O)[C@H](C)n1cnc(-c3nn[n-]n3)n1)CC2 ZINC001573546905 946821730 /nfs/dbraw/zinc/82/17/30/946821730.db2.gz RATHMRXTNUUZEE-JTQLQIEISA-N -1 1 381.400 0.563 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001573547270 946828197 /nfs/dbraw/zinc/82/81/97/946828197.db2.gz HBESLRCKJIJFDO-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001573547270 946828205 /nfs/dbraw/zinc/82/82/05/946828205.db2.gz HBESLRCKJIJFDO-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001573547482 946835499 /nfs/dbraw/zinc/83/54/99/946835499.db2.gz MIDCYTOJHUMAIS-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001573547482 946835512 /nfs/dbraw/zinc/83/55/12/946835512.db2.gz MIDCYTOJHUMAIS-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573547975 946843990 /nfs/dbraw/zinc/84/39/90/946843990.db2.gz ZUKPYQSNBAQOLI-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573547975 946843997 /nfs/dbraw/zinc/84/39/97/946843997.db2.gz ZUKPYQSNBAQOLI-JTQLQIEISA-N -1 1 381.400 0.846 20 0 GCADMM CC(=O)c1cccc(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001573555153 946904456 /nfs/dbraw/zinc/90/44/56/946904456.db2.gz CYNXCJQVNNQEKJ-UHFFFAOYSA-N -1 1 383.368 0.038 20 0 GCADMM CC(=O)c1ccc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1Cl ZINC001573556318 946926051 /nfs/dbraw/zinc/92/60/51/946926051.db2.gz OTGSBLDZWLMVRL-UHFFFAOYSA-N -1 1 376.760 0.912 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC000825000337 947037871 /nfs/dbraw/zinc/03/78/71/947037871.db2.gz OPPCSDXULGTNTA-SECBINFHSA-N -1 1 390.358 0.599 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC000825000337 947037879 /nfs/dbraw/zinc/03/78/79/947037879.db2.gz OPPCSDXULGTNTA-SECBINFHSA-N -1 1 390.358 0.599 20 0 GCADMM CCCCNC(=O)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825284872 947144303 /nfs/dbraw/zinc/14/43/03/947144303.db2.gz BCMMPVZTGSPPGS-LBPRGKRZSA-N -1 1 375.433 0.861 20 0 GCADMM CCCCNC(=O)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825284872 947144310 /nfs/dbraw/zinc/14/43/10/947144310.db2.gz BCMMPVZTGSPPGS-LBPRGKRZSA-N -1 1 375.433 0.861 20 0 GCADMM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825399062 947174527 /nfs/dbraw/zinc/17/45/27/947174527.db2.gz HKVACQZCUXTRHO-NSHDSACASA-N -1 1 379.446 0.476 20 0 GCADMM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825399062 947174532 /nfs/dbraw/zinc/17/45/32/947174532.db2.gz HKVACQZCUXTRHO-NSHDSACASA-N -1 1 379.446 0.476 20 0 GCADMM CCNC(=O)COc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825470664 947197674 /nfs/dbraw/zinc/19/76/74/947197674.db2.gz GVBVPZZDKZKOOI-UHFFFAOYSA-N -1 1 385.384 0.859 20 0 GCADMM CCNC(=O)COc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825470664 947197683 /nfs/dbraw/zinc/19/76/83/947197683.db2.gz GVBVPZZDKZKOOI-UHFFFAOYSA-N -1 1 385.384 0.859 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(C(=O)OC)cc2)c1-c1nn[n-]n1 ZINC000825565876 947228247 /nfs/dbraw/zinc/22/82/47/947228247.db2.gz ZJTQUJZULKPUEW-UHFFFAOYSA-N -1 1 399.367 0.665 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(NC(C)=O)cc2)c1-c1nn[n-]n1 ZINC000825570934 947235018 /nfs/dbraw/zinc/23/50/18/947235018.db2.gz OPWMRDVLAKZLSK-UHFFFAOYSA-N -1 1 398.383 0.837 20 0 GCADMM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)CC2 ZINC000825581458 947240599 /nfs/dbraw/zinc/24/05/99/947240599.db2.gz ARIKOAPEPFQCOM-QWHCGFSZSA-N -1 1 376.417 0.484 20 0 GCADMM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)CC2 ZINC000825581458 947240609 /nfs/dbraw/zinc/24/06/09/947240609.db2.gz ARIKOAPEPFQCOM-QWHCGFSZSA-N -1 1 376.417 0.484 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573591387 947309018 /nfs/dbraw/zinc/30/90/18/947309018.db2.gz BBJPZFQWNLPHFD-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001573592585 947342761 /nfs/dbraw/zinc/34/27/61/947342761.db2.gz KQPYMPRBBKIOCL-TZMCWYRMSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001573592585 947342772 /nfs/dbraw/zinc/34/27/72/947342772.db2.gz KQPYMPRBBKIOCL-TZMCWYRMSA-N -1 1 386.460 0.899 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000825875206 947353540 /nfs/dbraw/zinc/35/35/40/947353540.db2.gz FHNPJKSRRNABJJ-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000825875206 947353554 /nfs/dbraw/zinc/35/35/54/947353554.db2.gz FHNPJKSRRNABJJ-UHFFFAOYSA-N -1 1 388.409 0.869 20 0 GCADMM CN(C)c1nccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825888607 947357864 /nfs/dbraw/zinc/35/78/64/947357864.db2.gz SNXNCXYZBHHYSA-UHFFFAOYSA-N -1 1 394.848 0.855 20 0 GCADMM CN(C)c1nccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000825888838 947359457 /nfs/dbraw/zinc/35/94/57/947359457.db2.gz WJHKXQYHAZFSRX-UHFFFAOYSA-N -1 1 396.459 0.910 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000825934704 947379062 /nfs/dbraw/zinc/37/90/62/947379062.db2.gz QGRUMJNBWQXYBU-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000825934704 947379073 /nfs/dbraw/zinc/37/90/73/947379073.db2.gz QGRUMJNBWQXYBU-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573593801 947379239 /nfs/dbraw/zinc/37/92/39/947379239.db2.gz VVMMCTIUXIKFIF-TZMCWYRMSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573593801 947379250 /nfs/dbraw/zinc/37/92/50/947379250.db2.gz VVMMCTIUXIKFIF-TZMCWYRMSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573593799 947379988 /nfs/dbraw/zinc/37/99/88/947379988.db2.gz VVMMCTIUXIKFIF-OCCSQVGLSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573593799 947379999 /nfs/dbraw/zinc/37/99/99/947379999.db2.gz VVMMCTIUXIKFIF-OCCSQVGLSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573594230 947389910 /nfs/dbraw/zinc/38/99/10/947389910.db2.gz PBOSLWDBTBRDQG-ZYHUDNBSSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573594230 947389923 /nfs/dbraw/zinc/38/99/23/947389923.db2.gz PBOSLWDBTBRDQG-ZYHUDNBSSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573594203 947390500 /nfs/dbraw/zinc/39/05/00/947390500.db2.gz OQIWDGHXVGFNPW-PSASIEDQSA-N -1 1 384.366 0.926 20 0 GCADMM CN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1=O ZINC000826010693 947403120 /nfs/dbraw/zinc/40/31/20/947403120.db2.gz ONURGUBCPKFCBK-UHFFFAOYSA-N -1 1 391.413 0.585 20 0 GCADMM CN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1=O ZINC000826010693 947403130 /nfs/dbraw/zinc/40/31/30/947403130.db2.gz ONURGUBCPKFCBK-UHFFFAOYSA-N -1 1 391.413 0.585 20 0 GCADMM CN1CCC[C@@H](N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1=O ZINC000826029539 947409250 /nfs/dbraw/zinc/40/92/50/947409250.db2.gz SVVGNPNUNOZAAD-GFCCVEGCSA-N -1 1 398.427 0.858 20 0 GCADMM CN1CCc2ccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)cc21 ZINC000826045298 947420119 /nfs/dbraw/zinc/42/01/19/947420119.db2.gz UBJTUSBVVOITMH-UHFFFAOYSA-N -1 1 382.432 0.919 20 0 GCADMM CN1CCc2ccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)cc21 ZINC000826045298 947420127 /nfs/dbraw/zinc/42/01/27/947420127.db2.gz UBJTUSBVVOITMH-UHFFFAOYSA-N -1 1 382.432 0.919 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573595472 947420125 /nfs/dbraw/zinc/42/01/25/947420125.db2.gz GIXPRSAIMHGCLN-VXGBXAGGSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573595472 947420129 /nfs/dbraw/zinc/42/01/29/947420129.db2.gz GIXPRSAIMHGCLN-VXGBXAGGSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573595463 947420354 /nfs/dbraw/zinc/42/03/54/947420354.db2.gz GIXPRSAIMHGCLN-NEPJUHHUSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573595463 947420356 /nfs/dbraw/zinc/42/03/56/947420356.db2.gz GIXPRSAIMHGCLN-NEPJUHHUSA-N -1 1 386.416 0.309 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573597421 947436583 /nfs/dbraw/zinc/43/65/83/947436583.db2.gz OGTFIURUGFDJHW-DGCLKSJQSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573597421 947436589 /nfs/dbraw/zinc/43/65/89/947436589.db2.gz OGTFIURUGFDJHW-DGCLKSJQSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573597419 947437651 /nfs/dbraw/zinc/43/76/51/947437651.db2.gz OGTFIURUGFDJHW-AAEUAGOBSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573597419 947437659 /nfs/dbraw/zinc/43/76/59/947437659.db2.gz OGTFIURUGFDJHW-AAEUAGOBSA-N -1 1 383.416 0.087 20 0 GCADMM COC(=O)C1(O)CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000826129332 947443933 /nfs/dbraw/zinc/44/39/33/947443933.db2.gz PFMRHKUVNZJQIQ-JTQLQIEISA-N -1 1 392.416 0.403 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573599181 947450528 /nfs/dbraw/zinc/45/05/28/947450528.db2.gz VICOOXPUGBRJCO-CMPLNLGQSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573599181 947450532 /nfs/dbraw/zinc/45/05/32/947450532.db2.gz VICOOXPUGBRJCO-CMPLNLGQSA-N -1 1 388.457 0.753 20 0 GCADMM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826160472 947504439 /nfs/dbraw/zinc/50/44/39/947504439.db2.gz SXSBYDPFPARPCL-JQWIXIFHSA-N -1 1 391.432 0.095 20 0 GCADMM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826160472 947504450 /nfs/dbraw/zinc/50/44/50/947504450.db2.gz SXSBYDPFPARPCL-JQWIXIFHSA-N -1 1 391.432 0.095 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cncn1 ZINC001573605366 947531539 /nfs/dbraw/zinc/53/15/39/947531539.db2.gz XFDMVBCPXAIUQV-ZETCQYMHSA-N -1 1 382.841 0.700 20 0 GCADMM C[C@H](C(=O)N1CC(=O)Nc2cc(F)c(F)cc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573606960 947536668 /nfs/dbraw/zinc/53/66/68/947536668.db2.gz BGBBRBWMHIGJGO-ZCFIWIBFSA-N -1 1 375.299 0.283 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573607395 947546750 /nfs/dbraw/zinc/54/67/50/947546750.db2.gz MQBMLWRIJJNNKR-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573607395 947546759 /nfs/dbraw/zinc/54/67/59/947546759.db2.gz MQBMLWRIJJNNKR-NSHDSACASA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)n1cncn1 ZINC001573613564 947565227 /nfs/dbraw/zinc/56/52/27/947565227.db2.gz COMDYLIWQNQHSC-CMPLNLGQSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cncn1 ZINC001573613564 947565235 /nfs/dbraw/zinc/56/52/35/947565235.db2.gz COMDYLIWQNQHSC-CMPLNLGQSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cccn1 ZINC001573613747 947568892 /nfs/dbraw/zinc/56/88/92/947568892.db2.gz HTIBKQUOSJCUHQ-RYUDHWBXSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cccn1 ZINC001573613747 947568898 /nfs/dbraw/zinc/56/88/98/947568898.db2.gz HTIBKQUOSJCUHQ-RYUDHWBXSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573613753 947569198 /nfs/dbraw/zinc/56/91/98/947569198.db2.gz HXOXRMGSRMUBBS-ACJLOTCBSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573614158 947578052 /nfs/dbraw/zinc/57/80/52/947578052.db2.gz CKSYAXARYBUNQR-VXGBXAGGSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573614158 947578060 /nfs/dbraw/zinc/57/80/60/947578060.db2.gz CKSYAXARYBUNQR-VXGBXAGGSA-N -1 1 382.432 0.454 20 0 GCADMM COc1ccc(C2(CNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCC2)cc1 ZINC000826190156 947581641 /nfs/dbraw/zinc/58/16/41/947581641.db2.gz RKUYDAHDEDJIKM-UHFFFAOYSA-N -1 1 397.439 0.807 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573615175 947599746 /nfs/dbraw/zinc/59/97/46/947599746.db2.gz IJNGDRODJZTUSR-CYBMUJFWSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cncn1 ZINC001573615555 947606756 /nfs/dbraw/zinc/60/67/56/947606756.db2.gz SJCCVFBHOJNFPG-MNOVXSKESA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cncn1 ZINC001573615555 947606762 /nfs/dbraw/zinc/60/67/62/947606762.db2.gz SJCCVFBHOJNFPG-MNOVXSKESA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)n1cccn1 ZINC001573616537 947623023 /nfs/dbraw/zinc/62/30/23/947623023.db2.gz WZRUJBMJHSESHM-VXGBXAGGSA-N -1 1 382.432 0.185 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573616977 947631492 /nfs/dbraw/zinc/63/14/92/947631492.db2.gz KJWGPZBUYIIXHJ-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573616977 947631501 /nfs/dbraw/zinc/63/15/01/947631501.db2.gz KJWGPZBUYIIXHJ-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)cc1 ZINC001573354649 947634618 /nfs/dbraw/zinc/63/46/18/947634618.db2.gz GIYSVCIUQPVQOZ-LSDHHAIUSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)cc1 ZINC001573354649 947634623 /nfs/dbraw/zinc/63/46/23/947634623.db2.gz GIYSVCIUQPVQOZ-LSDHHAIUSA-N -1 1 392.423 0.669 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573617335 947634582 /nfs/dbraw/zinc/63/45/82/947634582.db2.gz LFHYQCZUHMWNNC-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573617335 947634590 /nfs/dbraw/zinc/63/45/90/947634590.db2.gz LFHYQCZUHMWNNC-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573617491 947636920 /nfs/dbraw/zinc/63/69/20/947636920.db2.gz LUDWVZNWSFXNBE-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573617491 947636925 /nfs/dbraw/zinc/63/69/25/947636925.db2.gz LUDWVZNWSFXNBE-AAEUAGOBSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573617786 947641249 /nfs/dbraw/zinc/64/12/49/947641249.db2.gz MUBZTHZVLGKGFG-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573617786 947641256 /nfs/dbraw/zinc/64/12/56/947641256.db2.gz MUBZTHZVLGKGFG-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)cc1 ZINC001573356284 947648647 /nfs/dbraw/zinc/64/86/47/947648647.db2.gz WEYCUXRTKVQRHY-HOCLYGCPSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1 ZINC001573356284 947648655 /nfs/dbraw/zinc/64/86/55/947648655.db2.gz WEYCUXRTKVQRHY-HOCLYGCPSA-N -1 1 392.423 0.669 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573618813 947655800 /nfs/dbraw/zinc/65/58/00/947655800.db2.gz SHCOIMOGLPVBEJ-WFASDCNBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573618813 947655810 /nfs/dbraw/zinc/65/58/10/947655810.db2.gz SHCOIMOGLPVBEJ-WFASDCNBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573618961 947657481 /nfs/dbraw/zinc/65/74/81/947657481.db2.gz UKTSMYBOAMODOL-LLVKDONJSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573618961 947657489 /nfs/dbraw/zinc/65/74/89/947657489.db2.gz UKTSMYBOAMODOL-LLVKDONJSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573619477 947665711 /nfs/dbraw/zinc/66/57/11/947665711.db2.gz WLDPNHZECRIECK-LBPRGKRZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573619477 947665720 /nfs/dbraw/zinc/66/57/20/947665720.db2.gz WLDPNHZECRIECK-LBPRGKRZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573619615 947666859 /nfs/dbraw/zinc/66/68/59/947666859.db2.gz WFCOSDAYNYHLNW-NEPJUHHUSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573619615 947666864 /nfs/dbraw/zinc/66/68/64/947666864.db2.gz WFCOSDAYNYHLNW-NEPJUHHUSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573619668 947669669 /nfs/dbraw/zinc/66/96/69/947669669.db2.gz XCGMANTUBHXJKS-LBPRGKRZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573619668 947669674 /nfs/dbraw/zinc/66/96/74/947669674.db2.gz XCGMANTUBHXJKS-LBPRGKRZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573619667 947669963 /nfs/dbraw/zinc/66/99/63/947669963.db2.gz XCGMANTUBHXJKS-GFCCVEGCSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573619667 947669969 /nfs/dbraw/zinc/66/99/69/947669969.db2.gz XCGMANTUBHXJKS-GFCCVEGCSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573619908 947674390 /nfs/dbraw/zinc/67/43/90/947674390.db2.gz XMEXLODXYJRIBI-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573619908 947674397 /nfs/dbraw/zinc/67/43/97/947674397.db2.gz XMEXLODXYJRIBI-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(C)(C)S(C)(=O)=O ZINC000826232799 947683316 /nfs/dbraw/zinc/68/33/16/947683316.db2.gz IZVAXCCOKWKDTL-UHFFFAOYSA-N -1 1 397.457 0.883 20 0 GCADMM C[C@@H](C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573625101 947696304 /nfs/dbraw/zinc/69/63/04/947696304.db2.gz MYDOAFSPGAGYDI-GFCCVEGCSA-N -1 1 386.460 0.280 20 0 GCADMM C[C@H](C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573625103 947697584 /nfs/dbraw/zinc/69/75/84/947697584.db2.gz MYDOAFSPGAGYDI-LBPRGKRZSA-N -1 1 386.460 0.280 20 0 GCADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cnccn1 ZINC001573363430 947713223 /nfs/dbraw/zinc/71/32/23/947713223.db2.gz NVHVIUNAJXXSFI-SUIFULHWSA-N -1 1 392.427 0.587 20 0 GCADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cnccn1 ZINC001573363430 947713241 /nfs/dbraw/zinc/71/32/41/947713241.db2.gz NVHVIUNAJXXSFI-SUIFULHWSA-N -1 1 392.427 0.587 20 0 GCADMM C[C@@H](C(=O)N1CCC(O)(Cc2ccccn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573627191 947719219 /nfs/dbraw/zinc/71/92/19/947719219.db2.gz ZZIZYJKMTVPAJS-LBPRGKRZSA-N -1 1 383.416 0.010 20 0 GCADMM C/C(=C\c1ccccc1)CN(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573365222 947729872 /nfs/dbraw/zinc/72/98/72/947729872.db2.gz LQDQGPJNBYGZRJ-XYOKQWHBSA-N -1 1 381.396 0.691 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573628445 947756379 /nfs/dbraw/zinc/75/63/79/947756379.db2.gz KVOIOKQXUAGLEY-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573628445 947756384 /nfs/dbraw/zinc/75/63/84/947756384.db2.gz KVOIOKQXUAGLEY-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM Cc1onc(CC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)c1-c1nnn[n-]1 ZINC000826265459 947765897 /nfs/dbraw/zinc/76/58/97/947765897.db2.gz AAWLFMWQGFZQSE-UHFFFAOYSA-N -1 1 383.416 0.461 20 0 GCADMM Cc1onc(CC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)c1-c1nn[n-]n1 ZINC000826265459 947765903 /nfs/dbraw/zinc/76/59/03/947765903.db2.gz AAWLFMWQGFZQSE-UHFFFAOYSA-N -1 1 383.416 0.461 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573372665 947782986 /nfs/dbraw/zinc/78/29/86/947782986.db2.gz BLQVTKRJFWUVBT-QGZVFWFLSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573372665 947782992 /nfs/dbraw/zinc/78/29/92/947782992.db2.gz BLQVTKRJFWUVBT-QGZVFWFLSA-N -1 1 388.432 0.181 20 0 GCADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573630056 947786557 /nfs/dbraw/zinc/78/65/57/947786557.db2.gz QFVFEBRYKHMXTJ-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573630056 947786564 /nfs/dbraw/zinc/78/65/64/947786564.db2.gz QFVFEBRYKHMXTJ-SGTLLEGYSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573630746 947795194 /nfs/dbraw/zinc/79/51/94/947795194.db2.gz RWINQPHURJENLD-WCQYABFASA-N -1 1 382.432 0.019 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573373488 947795800 /nfs/dbraw/zinc/79/58/00/947795800.db2.gz JKCATGPLTUSLRZ-UONOGXRCSA-N -1 1 384.444 0.986 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573373628 947797208 /nfs/dbraw/zinc/79/72/08/947797208.db2.gz JNRVXBSJHPWRGS-SFHVURJKSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573373628 947797216 /nfs/dbraw/zinc/79/72/16/947797216.db2.gz JNRVXBSJHPWRGS-SFHVURJKSA-N -1 1 384.444 0.845 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573631208 947799701 /nfs/dbraw/zinc/79/97/01/947799701.db2.gz ULQOWGILWWJYQP-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573631208 947799709 /nfs/dbraw/zinc/79/97/09/947799709.db2.gz ULQOWGILWWJYQP-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573631203 947799842 /nfs/dbraw/zinc/79/98/42/947799842.db2.gz ULQOWGILWWJYQP-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573631203 947799855 /nfs/dbraw/zinc/79/98/55/947799855.db2.gz ULQOWGILWWJYQP-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573631797 947804655 /nfs/dbraw/zinc/80/46/55/947804655.db2.gz WXUAPVDXPSGVFP-OCCSQVGLSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573631797 947804662 /nfs/dbraw/zinc/80/46/62/947804662.db2.gz WXUAPVDXPSGVFP-OCCSQVGLSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001573637485 947814089 /nfs/dbraw/zinc/81/40/89/947814089.db2.gz FZKZJQRLTAXKBC-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001573637485 947814099 /nfs/dbraw/zinc/81/40/99/947814099.db2.gz FZKZJQRLTAXKBC-GFCCVEGCSA-N -1 1 382.432 0.233 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573374707 947814660 /nfs/dbraw/zinc/81/46/60/947814660.db2.gz PIQMOBDUMCBXRY-OCCSQVGLSA-N -1 1 386.460 0.877 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573637627 947819502 /nfs/dbraw/zinc/81/95/02/947819502.db2.gz LCILAVROQMESFE-NEPJUHHUSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573637627 947819509 /nfs/dbraw/zinc/81/95/09/947819509.db2.gz LCILAVROQMESFE-NEPJUHHUSA-N -1 1 383.420 0.302 20 0 GCADMM CC(=O)CCCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001573375857 947828227 /nfs/dbraw/zinc/82/82/27/947828227.db2.gz QSOGJMKOJMNJOU-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM CC(=O)CCCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001573375857 947828229 /nfs/dbraw/zinc/82/82/29/947828229.db2.gz QSOGJMKOJMNJOU-UHFFFAOYSA-N -1 1 388.432 0.493 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573376050 947829711 /nfs/dbraw/zinc/82/97/11/947829711.db2.gz VVHRWORHUPSOFR-SFHVURJKSA-N -1 1 384.444 0.845 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573376050 947829719 /nfs/dbraw/zinc/82/97/19/947829719.db2.gz VVHRWORHUPSOFR-SFHVURJKSA-N -1 1 384.444 0.845 20 0 GCADMM C[C@@H](C(=O)N1CCN(c2cc(Cl)ccn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573638393 947837655 /nfs/dbraw/zinc/83/76/55/947837655.db2.gz MKTLVLGZMXMKKX-JTQLQIEISA-N -1 1 388.823 0.416 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573377615 947850300 /nfs/dbraw/zinc/85/03/00/947850300.db2.gz PFAXENVUHWWWJG-GXTWGEPZSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573377615 947850308 /nfs/dbraw/zinc/85/03/08/947850308.db2.gz PFAXENVUHWWWJG-GXTWGEPZSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573378296 947854997 /nfs/dbraw/zinc/85/49/97/947854997.db2.gz YLAAYFVJCQOKBF-KGLIPLIRSA-N -1 1 384.444 0.701 20 0 GCADMM CC(=O)CCCC(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573378296 947855006 /nfs/dbraw/zinc/85/50/06/947855006.db2.gz YLAAYFVJCQOKBF-KGLIPLIRSA-N -1 1 384.444 0.701 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573641225 947856825 /nfs/dbraw/zinc/85/68/25/947856825.db2.gz LONQEWUPUKVWLQ-OLZOCXBDSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573641225 947856835 /nfs/dbraw/zinc/85/68/35/947856835.db2.gz LONQEWUPUKVWLQ-OLZOCXBDSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573641800 947858628 /nfs/dbraw/zinc/85/86/28/947858628.db2.gz NIVIIYDEFMMAEQ-QWHCGFSZSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573641800 947858633 /nfs/dbraw/zinc/85/86/33/947858633.db2.gz NIVIIYDEFMMAEQ-QWHCGFSZSA-N -1 1 383.416 0.359 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](O)COc2c(C)cccc2C)c1-c1nnn[n-]1 ZINC000826296873 947858713 /nfs/dbraw/zinc/85/87/13/947858713.db2.gz MXMVKJCSOJRDCR-CYBMUJFWSA-N -1 1 386.412 0.879 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](O)COc2c(C)cccc2C)c1-c1nn[n-]n1 ZINC000826296873 947858722 /nfs/dbraw/zinc/85/87/22/947858722.db2.gz MXMVKJCSOJRDCR-CYBMUJFWSA-N -1 1 386.412 0.879 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573642199 947859736 /nfs/dbraw/zinc/85/97/36/947859736.db2.gz OLWJGSWCVWXZON-NEPJUHHUSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573642199 947859746 /nfs/dbraw/zinc/85/97/46/947859746.db2.gz OLWJGSWCVWXZON-NEPJUHHUSA-N -1 1 384.400 0.693 20 0 GCADMM CC(=O)CCCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573380870 947864945 /nfs/dbraw/zinc/86/49/45/947864945.db2.gz IVGCHPXAQBOZEL-UHFFFAOYSA-N -1 1 378.458 0.350 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573643514 947865599 /nfs/dbraw/zinc/86/55/99/947865599.db2.gz URNHEWDULBHKIQ-DTWKUNHWSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573643514 947865604 /nfs/dbraw/zinc/86/56/04/947865604.db2.gz URNHEWDULBHKIQ-DTWKUNHWSA-N -1 1 386.338 0.494 20 0 GCADMM CC(=O)N1CCC(NC(=O)CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC1 ZINC001602744014 971438853 /nfs/dbraw/zinc/43/88/53/971438853.db2.gz CZWLFJNSPTXRIA-CABCVRRESA-N -1 1 391.472 0.037 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573643731 947867657 /nfs/dbraw/zinc/86/76/57/947867657.db2.gz XBRJZDGCLYBOBW-NXEZZACHSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573643731 947867660 /nfs/dbraw/zinc/86/76/60/947867660.db2.gz XBRJZDGCLYBOBW-NXEZZACHSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573643718 947868083 /nfs/dbraw/zinc/86/80/83/947868083.db2.gz WVSLZJPAQBGDCW-CHWSQXEVSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573643718 947868090 /nfs/dbraw/zinc/86/80/90/947868090.db2.gz WVSLZJPAQBGDCW-CHWSQXEVSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(C)(F)F ZINC001573645906 947871613 /nfs/dbraw/zinc/87/16/13/947871613.db2.gz CFVHUFJTUUZDAH-JFGNBEQYSA-N -1 1 378.387 0.985 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(C)(F)F ZINC001573645906 947871614 /nfs/dbraw/zinc/87/16/14/947871614.db2.gz CFVHUFJTUUZDAH-JFGNBEQYSA-N -1 1 378.387 0.985 20 0 GCADMM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001573381725 947879079 /nfs/dbraw/zinc/87/90/79/947879079.db2.gz YGOKPZBLZXMDSO-QGZVFWFLSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001573381725 947879087 /nfs/dbraw/zinc/87/90/87/947879087.db2.gz YGOKPZBLZXMDSO-QGZVFWFLSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001573382060 947881427 /nfs/dbraw/zinc/88/14/27/947881427.db2.gz DDTGRQKYMFSETB-TZMCWYRMSA-N -1 1 386.460 0.995 20 0 GCADMM CC(=O)CCCC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001573382060 947881431 /nfs/dbraw/zinc/88/14/31/947881431.db2.gz DDTGRQKYMFSETB-TZMCWYRMSA-N -1 1 386.460 0.995 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)n1cncn1 ZINC001573647133 947885131 /nfs/dbraw/zinc/88/51/31/947885131.db2.gz CWDCCBKBPFAHLH-GRYCIOLGSA-N -1 1 383.420 0.016 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)n1cncn1 ZINC001573647133 947885142 /nfs/dbraw/zinc/88/51/42/947885142.db2.gz CWDCCBKBPFAHLH-GRYCIOLGSA-N -1 1 383.420 0.016 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573647219 947887157 /nfs/dbraw/zinc/88/71/57/947887157.db2.gz FAFSGVRNLSUFKL-YRGRVCCFSA-N -1 1 379.428 0.536 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cccc1 ZINC001573647936 947903353 /nfs/dbraw/zinc/90/33/53/947903353.db2.gz VSOVJBMNZQPZPN-MELADBBJSA-N -1 1 379.428 0.614 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cccc1 ZINC001573647936 947903360 /nfs/dbraw/zinc/90/33/60/947903360.db2.gz VSOVJBMNZQPZPN-MELADBBJSA-N -1 1 379.428 0.614 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573650932 947915293 /nfs/dbraw/zinc/91/52/93/947915293.db2.gz GEYKUJWBZAFPBK-XBFCOCLRSA-N -1 1 377.412 0.645 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573650932 947915303 /nfs/dbraw/zinc/91/53/03/947915303.db2.gz GEYKUJWBZAFPBK-XBFCOCLRSA-N -1 1 377.412 0.645 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573650988 947916171 /nfs/dbraw/zinc/91/61/71/947916171.db2.gz HRBQZGLFCJULTA-CXTNEJHOSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573650988 947916175 /nfs/dbraw/zinc/91/61/75/947916175.db2.gz HRBQZGLFCJULTA-CXTNEJHOSA-N -1 1 384.444 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573388674 947920341 /nfs/dbraw/zinc/92/03/41/947920341.db2.gz NPSNNGHHTJGRFD-UHFFFAOYSA-N -1 1 380.478 0.395 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001573652129 947929786 /nfs/dbraw/zinc/92/97/86/947929786.db2.gz BFFALVLIGZTEPV-DIFFPNOSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001573652129 947929792 /nfs/dbraw/zinc/92/97/92/947929792.db2.gz BFFALVLIGZTEPV-DIFFPNOSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573652198 947931078 /nfs/dbraw/zinc/93/10/78/947931078.db2.gz WLMHNYJOESQNNT-UBHSHLNASA-N -1 1 377.412 0.645 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573390698 947932444 /nfs/dbraw/zinc/93/24/44/947932444.db2.gz AHJGNOUJTMUVMA-UHFFFAOYSA-N -1 1 378.462 0.149 20 0 GCADMM Cc1cnc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000826318129 947932820 /nfs/dbraw/zinc/93/28/20/947932820.db2.gz WRTLCNQPRSRRKE-PWSUYJOCSA-N -1 1 398.431 0.934 20 0 GCADMM Cc1cnc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000826318129 947932823 /nfs/dbraw/zinc/93/28/23/947932823.db2.gz WRTLCNQPRSRRKE-PWSUYJOCSA-N -1 1 398.431 0.934 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573390924 947933592 /nfs/dbraw/zinc/93/35/92/947933592.db2.gz DREIHNQDULJJJV-LBPRGKRZSA-N -1 1 392.489 0.903 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573391416 947934086 /nfs/dbraw/zinc/93/40/86/947934086.db2.gz HFMHUXMBBZYYBO-ZDUSSCGKSA-N -1 1 387.448 0.236 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573391416 947934094 /nfs/dbraw/zinc/93/40/94/947934094.db2.gz HFMHUXMBBZYYBO-ZDUSSCGKSA-N -1 1 387.448 0.236 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573391977 947939869 /nfs/dbraw/zinc/93/98/69/947939869.db2.gz NNUJJFHNKPVKBU-DGCLKSJQSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573391977 947939873 /nfs/dbraw/zinc/93/98/73/947939873.db2.gz NNUJJFHNKPVKBU-DGCLKSJQSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573652576 947942848 /nfs/dbraw/zinc/94/28/48/947942848.db2.gz DUMZCLBUAZENMA-SGTLLEGYSA-N -1 1 381.444 0.838 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573392187 947943764 /nfs/dbraw/zinc/94/37/64/947943764.db2.gz VWFZLOIRPXTBSU-LDYMZIIASA-N -1 1 378.462 0.369 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573392188 947944585 /nfs/dbraw/zinc/94/45/85/947944585.db2.gz VZFREGVWUMIQFK-BXUZGUMPSA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573392188 947944597 /nfs/dbraw/zinc/94/45/97/947944597.db2.gz VZFREGVWUMIQFK-BXUZGUMPSA-N -1 1 387.448 0.317 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCC(F)(F)C3)CC2)o1 ZINC000826322945 947945927 /nfs/dbraw/zinc/94/59/27/947945927.db2.gz ILIXTXURKNDVBW-UHFFFAOYSA-N -1 1 382.375 0.153 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573392399 947946350 /nfs/dbraw/zinc/94/63/50/947946350.db2.gz AMXOHJJFRAQLJX-FZMZJTMJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573392399 947946357 /nfs/dbraw/zinc/94/63/57/947946357.db2.gz AMXOHJJFRAQLJX-FZMZJTMJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573392290 947947401 /nfs/dbraw/zinc/94/74/01/947947401.db2.gz ZAFLZJYJRKKTFE-UHFFFAOYSA-N -1 1 384.853 0.104 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573392290 947947409 /nfs/dbraw/zinc/94/74/09/947947409.db2.gz ZAFLZJYJRKKTFE-UHFFFAOYSA-N -1 1 384.853 0.104 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573392685 947950769 /nfs/dbraw/zinc/95/07/69/947950769.db2.gz FAPHUCSWWMOFNC-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573392685 947950773 /nfs/dbraw/zinc/95/07/73/947950773.db2.gz FAPHUCSWWMOFNC-DGCLKSJQSA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573392842 947952177 /nfs/dbraw/zinc/95/21/77/947952177.db2.gz GJOGDCRSSMDEDD-ZDUSSCGKSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573392842 947952181 /nfs/dbraw/zinc/95/21/81/947952181.db2.gz GJOGDCRSSMDEDD-ZDUSSCGKSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573392889 947953540 /nfs/dbraw/zinc/95/35/40/947953540.db2.gz HLTYSMMURBOIOI-CYBMUJFWSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573392889 947953544 /nfs/dbraw/zinc/95/35/44/947953544.db2.gz HLTYSMMURBOIOI-CYBMUJFWSA-N -1 1 387.448 0.176 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cnn(C)c1 ZINC001573653293 947954980 /nfs/dbraw/zinc/95/49/80/947954980.db2.gz KKHFYQVCNUPKDF-IINYFYTJSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cnn(C)c1 ZINC001573653293 947954985 /nfs/dbraw/zinc/95/49/85/947954985.db2.gz KKHFYQVCNUPKDF-IINYFYTJSA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573393657 947959294 /nfs/dbraw/zinc/95/92/94/947959294.db2.gz OSBKGNROHFBAQW-CABZTGNLSA-N -1 1 392.489 0.901 20 0 GCADMM Cc1ncc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)s1 ZINC000826329569 947959503 /nfs/dbraw/zinc/95/95/03/947959503.db2.gz IYHPKUGOBORGHY-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM Cc1ncc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)s1 ZINC000826329569 947959510 /nfs/dbraw/zinc/95/95/10/947959510.db2.gz IYHPKUGOBORGHY-UHFFFAOYSA-N -1 1 389.445 0.838 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573394335 947962773 /nfs/dbraw/zinc/96/27/73/947962773.db2.gz SIONIHBYBJECST-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573394335 947962782 /nfs/dbraw/zinc/96/27/82/947962782.db2.gz SIONIHBYBJECST-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cncn1 ZINC001573654228 947963085 /nfs/dbraw/zinc/96/30/85/947963085.db2.gz PTRKWIYESHQCEO-HWPZZCPQSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cncn1 ZINC001573654228 947963091 /nfs/dbraw/zinc/96/30/91/947963091.db2.gz PTRKWIYESHQCEO-HWPZZCPQSA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001573395247 947967564 /nfs/dbraw/zinc/96/75/64/947967564.db2.gz XRZIMOPUSGDLPC-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001573395247 947967569 /nfs/dbraw/zinc/96/75/69/947967569.db2.gz XRZIMOPUSGDLPC-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573395303 947969668 /nfs/dbraw/zinc/96/96/68/947969668.db2.gz YPPOQPAIXFWOSD-CYBMUJFWSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573395303 947969681 /nfs/dbraw/zinc/96/96/81/947969681.db2.gz YPPOQPAIXFWOSD-CYBMUJFWSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573397881 947976289 /nfs/dbraw/zinc/97/62/89/947976289.db2.gz FSMKDQLSGNYNJC-SSDOTTSWSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573397881 947976296 /nfs/dbraw/zinc/97/62/96/947976296.db2.gz FSMKDQLSGNYNJC-SSDOTTSWSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)CC(C)C ZINC001573398132 947978085 /nfs/dbraw/zinc/97/80/85/947978085.db2.gz GVCOVQOCINDSSA-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)CC(C)C ZINC001573398132 947978087 /nfs/dbraw/zinc/97/80/87/947978087.db2.gz GVCOVQOCINDSSA-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)CC(C)C ZINC001573398133 947978866 /nfs/dbraw/zinc/97/88/66/947978866.db2.gz GVCOVQOCINDSSA-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)CC(C)C ZINC001573398133 947978868 /nfs/dbraw/zinc/97/88/68/947978868.db2.gz GVCOVQOCINDSSA-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573398330 947979531 /nfs/dbraw/zinc/97/95/31/947979531.db2.gz JOZALNDIXJPOMO-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573398330 947979536 /nfs/dbraw/zinc/97/95/36/947979536.db2.gz JOZALNDIXJPOMO-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573398343 947980313 /nfs/dbraw/zinc/98/03/13/947980313.db2.gz JYVFZFPSKYXZTK-ZETCQYMHSA-N -1 1 386.869 0.762 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573398510 947981580 /nfs/dbraw/zinc/98/15/80/947981580.db2.gz LYTCTXUXJVDSOX-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573398510 947981585 /nfs/dbraw/zinc/98/15/85/947981585.db2.gz LYTCTXUXJVDSOX-RNFRBKRXSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)NC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573398568 947984164 /nfs/dbraw/zinc/98/41/64/947984164.db2.gz NFDWYCFFMZAAMI-UHFFFAOYSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)N(C)CC(=O)NC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573398568 947984168 /nfs/dbraw/zinc/98/41/68/947984168.db2.gz NFDWYCFFMZAAMI-UHFFFAOYSA-N -1 1 387.448 0.284 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573398909 947985600 /nfs/dbraw/zinc/98/56/00/947985600.db2.gz QNQUVMDABSOVFO-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1-c1nnn[n-]1 ZINC000826343205 947988060 /nfs/dbraw/zinc/98/80/60/947988060.db2.gz QTIKPJFMWKCRAT-SECBINFHSA-N -1 1 387.322 0.327 20 0 GCADMM Cc1onc(CC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1-c1nn[n-]n1 ZINC000826343205 947988068 /nfs/dbraw/zinc/98/80/68/947988068.db2.gz QTIKPJFMWKCRAT-SECBINFHSA-N -1 1 387.322 0.327 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573398912 947988536 /nfs/dbraw/zinc/98/85/36/947988536.db2.gz QNQUVMDABSOVFO-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573399272 947990000 /nfs/dbraw/zinc/99/00/00/947990000.db2.gz URDKPTMILZGTMJ-SSDOTTSWSA-N -1 1 386.869 0.396 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cncn1 ZINC001573657303 947998827 /nfs/dbraw/zinc/99/88/27/947998827.db2.gz LJNOCGBXZFGAAZ-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cncn1 ZINC001573657303 947998834 /nfs/dbraw/zinc/99/88/34/947998834.db2.gz LJNOCGBXZFGAAZ-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM Cc1onc(CC(=O)N2CCC(N(C)c3cccnn3)CC2)c1-c1nnn[n-]1 ZINC000826344020 948000350 /nfs/dbraw/zinc/00/03/50/948000350.db2.gz VDHLZZYBDHQWLU-UHFFFAOYSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1onc(CC(=O)N2CCC(N(C)c3cccnn3)CC2)c1-c1nn[n-]n1 ZINC000826344020 948000357 /nfs/dbraw/zinc/00/03/57/948000357.db2.gz VDHLZZYBDHQWLU-UHFFFAOYSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1onc(CC(=O)N2CCN(CCOc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826344240 948003684 /nfs/dbraw/zinc/00/36/84/948003684.db2.gz BGMZXGHJFOONLH-UHFFFAOYSA-N -1 1 397.439 0.929 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001573657983 948005244 /nfs/dbraw/zinc/00/52/44/948005244.db2.gz QGRHXEJEWJNATO-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001573657983 948005253 /nfs/dbraw/zinc/00/52/53/948005253.db2.gz QGRHXEJEWJNATO-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3cccnc3)CC2)c1-c1nnn[n-]1 ZINC000826344481 948009049 /nfs/dbraw/zinc/00/90/49/948009049.db2.gz JGOBCTWFPULACA-UHFFFAOYSA-N -1 1 382.384 0.085 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3cccnc3)CC2)c1-c1nn[n-]n1 ZINC000826344481 948009054 /nfs/dbraw/zinc/00/90/54/948009054.db2.gz JGOBCTWFPULACA-UHFFFAOYSA-N -1 1 382.384 0.085 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573658970 948011935 /nfs/dbraw/zinc/01/19/35/948011935.db2.gz UIMRGUPIAAHIDE-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573658970 948011945 /nfs/dbraw/zinc/01/19/45/948011945.db2.gz UIMRGUPIAAHIDE-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573403413 948012198 /nfs/dbraw/zinc/01/21/98/948012198.db2.gz MFLGHZUOMRSBLG-QMMMGPOBSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573403413 948012206 /nfs/dbraw/zinc/01/22/06/948012206.db2.gz MFLGHZUOMRSBLG-QMMMGPOBSA-N -1 1 384.853 0.150 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344632 948012674 /nfs/dbraw/zinc/01/26/74/948012674.db2.gz NCDHKPYUHKPDMG-NSHDSACASA-N -1 1 375.433 0.859 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@H](NC(=O)C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344632 948012684 /nfs/dbraw/zinc/01/26/84/948012684.db2.gz NCDHKPYUHKPDMG-NSHDSACASA-N -1 1 375.433 0.859 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573403728 948013023 /nfs/dbraw/zinc/01/30/23/948013023.db2.gz NZXCLPYTYZMFAM-CABZTGNLSA-N -1 1 392.489 0.583 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C3=NCC(C)(C)S3)CC2)c1-c1nnn[n-]1 ZINC000826344979 948017260 /nfs/dbraw/zinc/01/72/60/948017260.db2.gz YLGLOSUUKSSBPH-UHFFFAOYSA-N -1 1 390.473 0.731 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C3=NCC(C)(C)S3)CC2)c1-c1nn[n-]n1 ZINC000826344979 948017265 /nfs/dbraw/zinc/01/72/65/948017265.db2.gz YLGLOSUUKSSBPH-UHFFFAOYSA-N -1 1 390.473 0.731 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)c1-c1nnn[n-]1 ZINC000826345174 948019784 /nfs/dbraw/zinc/01/97/84/948019784.db2.gz DYUDXSZLTFFRGY-SNVBAGLBSA-N -1 1 379.446 0.522 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)c1-c1nn[n-]n1 ZINC000826345174 948019794 /nfs/dbraw/zinc/01/97/94/948019794.db2.gz DYUDXSZLTFFRGY-SNVBAGLBSA-N -1 1 379.446 0.522 20 0 GCADMM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001573662019 948022081 /nfs/dbraw/zinc/02/20/81/948022081.db2.gz AUSVFKPZMMSTJU-LLVKDONJSA-N -1 1 385.432 0.078 20 0 GCADMM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001573662019 948022088 /nfs/dbraw/zinc/02/20/88/948022088.db2.gz AUSVFKPZMMSTJU-LLVKDONJSA-N -1 1 385.432 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404406 948023622 /nfs/dbraw/zinc/02/36/22/948023622.db2.gz CVUCDIAGBNCERQ-LLVKDONJSA-N -1 1 378.462 0.052 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1-c1nnn[n-]1 ZINC000826345458 948025211 /nfs/dbraw/zinc/02/52/11/948025211.db2.gz LFMRTYIBAWFQJS-NSHDSACASA-N -1 1 377.430 0.133 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1-c1nn[n-]n1 ZINC000826345458 948025218 /nfs/dbraw/zinc/02/52/18/948025218.db2.gz LFMRTYIBAWFQJS-NSHDSACASA-N -1 1 377.430 0.133 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)NCC(C)C)c1-c1nnn[n-]1 ZINC000826345744 948029100 /nfs/dbraw/zinc/02/91/00/948029100.db2.gz SOKPDDZNKUITPU-NSHDSACASA-N -1 1 379.446 0.379 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)NCC(C)C)c1-c1nn[n-]n1 ZINC000826345744 948029107 /nfs/dbraw/zinc/02/91/07/948029107.db2.gz SOKPDDZNKUITPU-NSHDSACASA-N -1 1 379.446 0.379 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573404886 948033762 /nfs/dbraw/zinc/03/37/62/948033762.db2.gz XKPGDGSLIKJVIH-OLZOCXBDSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573404886 948033775 /nfs/dbraw/zinc/03/37/75/948033775.db2.gz XKPGDGSLIKJVIH-OLZOCXBDSA-N -1 1 387.448 0.283 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826346043 948036710 /nfs/dbraw/zinc/03/67/10/948036710.db2.gz BHPAGXHSNAIQLP-SNVBAGLBSA-N -1 1 377.405 0.831 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826346043 948036715 /nfs/dbraw/zinc/03/67/15/948036715.db2.gz BHPAGXHSNAIQLP-SNVBAGLBSA-N -1 1 377.405 0.831 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573405103 948038385 /nfs/dbraw/zinc/03/83/85/948038385.db2.gz XWRXQTLZYQPMEH-OLZOCXBDSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573405103 948038396 /nfs/dbraw/zinc/03/83/96/948038396.db2.gz XWRXQTLZYQPMEH-OLZOCXBDSA-N -1 1 387.448 0.222 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](O)COc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826346357 948039087 /nfs/dbraw/zinc/03/90/87/948039087.db2.gz KURCBBXFWYLGGF-LLVKDONJSA-N -1 1 376.348 0.401 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](O)COc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826346357 948039094 /nfs/dbraw/zinc/03/90/94/948039094.db2.gz KURCBBXFWYLGGF-LLVKDONJSA-N -1 1 376.348 0.401 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826346444 948039557 /nfs/dbraw/zinc/03/95/57/948039557.db2.gz MOCQQXXFMWSVPD-SECBINFHSA-N -1 1 394.338 0.540 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826346444 948039567 /nfs/dbraw/zinc/03/95/67/948039567.db2.gz MOCQQXXFMWSVPD-SECBINFHSA-N -1 1 394.338 0.540 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1-c1nnn[n-]1 ZINC000826346571 948039783 /nfs/dbraw/zinc/03/97/83/948039783.db2.gz POVZNTKWZBAHKZ-LLVKDONJSA-N -1 1 396.411 0.200 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1-c1nn[n-]n1 ZINC000826346571 948039788 /nfs/dbraw/zinc/03/97/88/948039788.db2.gz POVZNTKWZBAHKZ-LLVKDONJSA-N -1 1 396.411 0.200 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346635 948043958 /nfs/dbraw/zinc/04/39/58/948043958.db2.gz RLTXOPLHEDPJEN-CYBMUJFWSA-N -1 1 381.396 0.623 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346635 948043971 /nfs/dbraw/zinc/04/39/71/948043971.db2.gz RLTXOPLHEDPJEN-CYBMUJFWSA-N -1 1 381.396 0.623 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1-c1nnn[n-]1 ZINC000826346652 948044417 /nfs/dbraw/zinc/04/44/17/948044417.db2.gz SCLYPYGOOOKVCB-LLVKDONJSA-N -1 1 388.409 0.741 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1-c1nn[n-]n1 ZINC000826346652 948044426 /nfs/dbraw/zinc/04/44/26/948044426.db2.gz SCLYPYGOOOKVCB-LLVKDONJSA-N -1 1 388.409 0.741 20 0 GCADMM C[C@@H](C(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573664080 948047361 /nfs/dbraw/zinc/04/73/61/948047361.db2.gz RVKVKAYVKDJBBO-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573664080 948047368 /nfs/dbraw/zinc/04/73/68/948047368.db2.gz RVKVKAYVKDJBBO-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1snc(C)c1-c1nn[n-]n1 ZINC001573406425 948053429 /nfs/dbraw/zinc/05/34/29/948053429.db2.gz HPTFKVONBINULJ-VXGBXAGGSA-N -1 1 392.489 0.949 20 0 GCADMM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573664386 948053489 /nfs/dbraw/zinc/05/34/89/948053489.db2.gz UYTAMHJGKIBRKJ-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573664386 948053497 /nfs/dbraw/zinc/05/34/97/948053497.db2.gz UYTAMHJGKIBRKJ-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)NCCN2C(=O)c3ccccc3C2=O)c1-c1nnn[n-]1 ZINC000826347537 948055581 /nfs/dbraw/zinc/05/55/81/948055581.db2.gz URTOQERRTBKGJF-UHFFFAOYSA-N -1 1 381.352 0.118 20 0 GCADMM Cc1onc(CC(=O)NCCN2C(=O)c3ccccc3C2=O)c1-c1nn[n-]n1 ZINC000826347537 948055588 /nfs/dbraw/zinc/05/55/88/948055588.db2.gz URTOQERRTBKGJF-UHFFFAOYSA-N -1 1 381.352 0.118 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573406780 948057767 /nfs/dbraw/zinc/05/77/67/948057767.db2.gz SKFKSBJKDWXNTA-HAQNSBGRSA-N -1 1 392.489 0.949 20 0 GCADMM Cc1onc(CC(=O)NCc2ccccc2Cn2cncn2)c1-c1nnn[n-]1 ZINC000826347754 948060873 /nfs/dbraw/zinc/06/08/73/948060873.db2.gz DLZKPWHBCGADNC-UHFFFAOYSA-N -1 1 379.384 0.662 20 0 GCADMM Cc1onc(CC(=O)NCc2ccccc2Cn2cncn2)c1-c1nn[n-]n1 ZINC000826347754 948060885 /nfs/dbraw/zinc/06/08/85/948060885.db2.gz DLZKPWHBCGADNC-UHFFFAOYSA-N -1 1 379.384 0.662 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1-c1nnn[n-]1 ZINC000826347965 948064175 /nfs/dbraw/zinc/06/41/75/948064175.db2.gz NUQKEWGMWQBNAG-UHFFFAOYSA-N -1 1 388.409 0.352 20 0 GCADMM Cc1onc(CC(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1-c1nn[n-]n1 ZINC000826347965 948064184 /nfs/dbraw/zinc/06/41/84/948064184.db2.gz NUQKEWGMWQBNAG-UHFFFAOYSA-N -1 1 388.409 0.352 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826348395 948072122 /nfs/dbraw/zinc/07/21/22/948072122.db2.gz KCCRJUPEAMMJDD-UHFFFAOYSA-N -1 1 377.386 0.133 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826348395 948072133 /nfs/dbraw/zinc/07/21/33/948072133.db2.gz KCCRJUPEAMMJDD-UHFFFAOYSA-N -1 1 377.386 0.133 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573672119 948107467 /nfs/dbraw/zinc/10/74/67/948107467.db2.gz GTGSVSOWKPJFNW-VHSXEESVSA-N -1 1 384.487 0.052 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(CCCn3ccnc3)CC2)n(C)c1=O ZINC000826355837 948109395 /nfs/dbraw/zinc/10/93/95/948109395.db2.gz PBUOZTVKADUOHU-UHFFFAOYSA-N -1 1 399.459 0.157 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](Oc3cccc(F)c3)C2)n(C)c1=O ZINC000826355621 948109472 /nfs/dbraw/zinc/10/94/72/948109472.db2.gz HPXMJSNUDRJCRS-GFCCVEGCSA-N -1 1 387.375 0.061 20 0 GCADMM C[C@H](C(=O)NCC(=O)c1cccc(F)c1Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001573677310 948134877 /nfs/dbraw/zinc/13/48/77/948134877.db2.gz CFCWETTVIMDBHR-SSDOTTSWSA-N -1 1 378.755 0.811 20 0 GCADMM CC(=O)N1CC(C(=O)NCCCN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573424002 948148117 /nfs/dbraw/zinc/14/81/17/948148117.db2.gz SPZDAZPLCUGZQH-UHFFFAOYSA-N -1 1 378.462 0.052 20 0 GCADMM CC(=O)N1CC(C(=O)NCCN(C)c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573424375 948149919 /nfs/dbraw/zinc/14/99/19/948149919.db2.gz ZBBANEVRXWTTGN-UHFFFAOYSA-N -1 1 384.853 0.007 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cccn1 ZINC001573678397 948151008 /nfs/dbraw/zinc/15/10/08/948151008.db2.gz HLLZAGHQRLCEFO-NWDGAFQWSA-N -1 1 382.432 0.445 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001573678395 948151783 /nfs/dbraw/zinc/15/17/83/948151783.db2.gz DHJZHDBEJFIRPL-DGCLKSJQSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001573678395 948151787 /nfs/dbraw/zinc/15/17/87/948151787.db2.gz DHJZHDBEJFIRPL-DGCLKSJQSA-N -1 1 384.448 0.747 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001573678988 948157394 /nfs/dbraw/zinc/15/73/94/948157394.db2.gz HDFZGNPNGKHRQI-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001573678988 948157399 /nfs/dbraw/zinc/15/73/99/948157399.db2.gz HDFZGNPNGKHRQI-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573428988 948168707 /nfs/dbraw/zinc/16/87/07/948168707.db2.gz FPPUIDLYPBFCDH-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573428988 948168711 /nfs/dbraw/zinc/16/87/11/948168711.db2.gz FPPUIDLYPBFCDH-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573431611 948180643 /nfs/dbraw/zinc/18/06/43/948180643.db2.gz XQDKATDORAUIFI-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573431611 948180653 /nfs/dbraw/zinc/18/06/53/948180653.db2.gz XQDKATDORAUIFI-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cnn(C)c1 ZINC001573680661 948183968 /nfs/dbraw/zinc/18/39/68/948183968.db2.gz PDDGTULLRVSDGO-GWCFXTLKSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cnn(C)c1 ZINC001573680661 948183978 /nfs/dbraw/zinc/18/39/78/948183978.db2.gz PDDGTULLRVSDGO-GWCFXTLKSA-N -1 1 382.432 0.501 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573432083 948186527 /nfs/dbraw/zinc/18/65/27/948186527.db2.gz CUJUXFTXEWIERH-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573432083 948186530 /nfs/dbraw/zinc/18/65/30/948186530.db2.gz CUJUXFTXEWIERH-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573432569 948189201 /nfs/dbraw/zinc/18/92/01/948189201.db2.gz GYCDMIMQGAZSJF-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573432569 948189204 /nfs/dbraw/zinc/18/92/04/948189204.db2.gz GYCDMIMQGAZSJF-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573432565 948189506 /nfs/dbraw/zinc/18/95/06/948189506.db2.gz GYCDMIMQGAZSJF-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573432565 948189510 /nfs/dbraw/zinc/18/95/10/948189510.db2.gz GYCDMIMQGAZSJF-DIFFPNOSSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573680841 948190326 /nfs/dbraw/zinc/19/03/26/948190326.db2.gz QQXOJGLVEOQDQA-WDEREUQCSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573680841 948190334 /nfs/dbraw/zinc/19/03/34/948190334.db2.gz QQXOJGLVEOQDQA-WDEREUQCSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573433276 948199233 /nfs/dbraw/zinc/19/92/33/948199233.db2.gz JZBSFDHEMMALCC-FVMDXXJSSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573681255 948199501 /nfs/dbraw/zinc/19/95/01/948199501.db2.gz TXXJMYFQQSIXFY-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573681255 948199507 /nfs/dbraw/zinc/19/95/07/948199507.db2.gz TXXJMYFQQSIXFY-MNOVXSKESA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573433687 948207029 /nfs/dbraw/zinc/20/70/29/948207029.db2.gz NKJQUHXMZXHPHR-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573433687 948207033 /nfs/dbraw/zinc/20/70/33/948207033.db2.gz NKJQUHXMZXHPHR-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573681866 948214636 /nfs/dbraw/zinc/21/46/36/948214636.db2.gz YFVIUJMIVWVDLO-RISCZKNCSA-N -1 1 379.428 0.584 20 0 GCADMM C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573681867 948215080 /nfs/dbraw/zinc/21/50/80/948215080.db2.gz YFVIUJMIVWVDLO-SMDDNHRTSA-N -1 1 379.428 0.584 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573434666 948217941 /nfs/dbraw/zinc/21/79/41/948217941.db2.gz SEEMARVXJLIYRO-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573434666 948217947 /nfs/dbraw/zinc/21/79/47/948217947.db2.gz SEEMARVXJLIYRO-PIGZYNQJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573434953 948221712 /nfs/dbraw/zinc/22/17/12/948221712.db2.gz TZPMIJPECQPMMA-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434953 948221722 /nfs/dbraw/zinc/22/17/22/948221722.db2.gz TZPMIJPECQPMMA-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573435232 948226884 /nfs/dbraw/zinc/22/68/84/948226884.db2.gz UXPYXKXVOQSEIJ-JDNHERCYSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573435659 948232932 /nfs/dbraw/zinc/23/29/32/948232932.db2.gz YXKRAPUDCLGYLN-APPDUMDISA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573435659 948232942 /nfs/dbraw/zinc/23/29/42/948232942.db2.gz YXKRAPUDCLGYLN-APPDUMDISA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573435661 948233550 /nfs/dbraw/zinc/23/35/50/948233550.db2.gz YXKRAPUDCLGYLN-GTNSWQLSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573435661 948233553 /nfs/dbraw/zinc/23/35/53/948233553.db2.gz YXKRAPUDCLGYLN-GTNSWQLSSA-N -1 1 387.448 0.079 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1cnn(C)c1 ZINC001573691203 948238740 /nfs/dbraw/zinc/23/87/40/948238740.db2.gz DYKVRQFQHUYZTK-LLVKDONJSA-N -1 1 382.432 0.067 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cncn1 ZINC001573691407 948242257 /nfs/dbraw/zinc/24/22/57/948242257.db2.gz GOJJMZFVAXVFGN-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cncn1 ZINC001573691407 948242265 /nfs/dbraw/zinc/24/22/65/948242265.db2.gz GOJJMZFVAXVFGN-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573692057 948254687 /nfs/dbraw/zinc/25/46/87/948254687.db2.gz MHIYJIXLIOENGI-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573692057 948254692 /nfs/dbraw/zinc/25/46/92/948254692.db2.gz MHIYJIXLIOENGI-GHMZBOCLSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c2ccccc21 ZINC001573439975 948259163 /nfs/dbraw/zinc/25/91/63/948259163.db2.gz XQOFMUTYLHDBFQ-LLVKDONJSA-N -1 1 382.384 0.576 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573693266 948277396 /nfs/dbraw/zinc/27/73/96/948277396.db2.gz SCZYEYJMEOEIOE-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573693266 948277404 /nfs/dbraw/zinc/27/74/04/948277404.db2.gz SCZYEYJMEOEIOE-GWCFXTLKSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cccnc1 ZINC001573694666 948298454 /nfs/dbraw/zinc/29/84/54/948298454.db2.gz CVBLYYWXPKMJJX-NGFQHRJXSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cccnc1 ZINC001573694666 948298463 /nfs/dbraw/zinc/29/84/63/948298463.db2.gz CVBLYYWXPKMJJX-NGFQHRJXSA-N -1 1 391.439 0.654 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573442948 948300217 /nfs/dbraw/zinc/30/02/17/948300217.db2.gz KMOBMXZQOMKGGB-SKDRFNHKSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573443898 948310358 /nfs/dbraw/zinc/31/03/58/948310358.db2.gz QHELLRFKZOZUDS-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573443898 948310366 /nfs/dbraw/zinc/31/03/66/948310366.db2.gz QHELLRFKZOZUDS-YPMHNXCESA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccco1 ZINC001573695810 948311656 /nfs/dbraw/zinc/31/16/56/948311656.db2.gz IWDWEYHBOYCWMV-LPWJVIDDSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccco1 ZINC001573695810 948311662 /nfs/dbraw/zinc/31/16/62/948311662.db2.gz IWDWEYHBOYCWMV-LPWJVIDDSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(C)(F)F ZINC001573696063 948315045 /nfs/dbraw/zinc/31/50/45/948315045.db2.gz KHQNUUCMBJEGHN-XWLWVQCSSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(C)(F)F ZINC001573696063 948315053 /nfs/dbraw/zinc/31/50/53/948315053.db2.gz KHQNUUCMBJEGHN-XWLWVQCSSA-N -1 1 378.387 0.746 20 0 GCADMM CC(=O)N1CCC[C@H](N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2=O)C1 ZINC001573444659 948316632 /nfs/dbraw/zinc/31/66/32/948316632.db2.gz VFHJUSNFPQXYFB-LBPRGKRZSA-N -1 1 390.473 0.291 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573444777 948317601 /nfs/dbraw/zinc/31/76/01/948317601.db2.gz VVTZXUPCHMIEQC-AAEUAGOBSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573444777 948317609 /nfs/dbraw/zinc/31/76/09/948317609.db2.gz VVTZXUPCHMIEQC-AAEUAGOBSA-N -1 1 387.448 0.140 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccc1 ZINC001573696253 948320107 /nfs/dbraw/zinc/32/01/07/948320107.db2.gz MQNGABMSZSVVGU-XDQVBPFNSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccc1 ZINC001573696253 948320115 /nfs/dbraw/zinc/32/01/15/948320115.db2.gz MQNGABMSZSVVGU-XDQVBPFNSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(F)(F)F ZINC001573696476 948327215 /nfs/dbraw/zinc/32/72/15/948327215.db2.gz RAAMNGOKVNPOKG-KYXWUPHJSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(F)(F)F ZINC001573696476 948327224 /nfs/dbraw/zinc/32/72/24/948327224.db2.gz RAAMNGOKVNPOKG-KYXWUPHJSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cccnc1 ZINC001573696646 948331172 /nfs/dbraw/zinc/33/11/72/948331172.db2.gz UIIVGXRNYVEOLL-NGFQHRJXSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cccnc1 ZINC001573696646 948331177 /nfs/dbraw/zinc/33/11/77/948331177.db2.gz UIIVGXRNYVEOLL-NGFQHRJXSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(F)(F)F ZINC001573696724 948332478 /nfs/dbraw/zinc/33/24/78/948332478.db2.gz WJQMQTFTDOBQDZ-KYXWUPHJSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(F)(F)F ZINC001573696724 948332488 /nfs/dbraw/zinc/33/24/88/948332488.db2.gz WJQMQTFTDOBQDZ-KYXWUPHJSA-N -1 1 382.350 0.654 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573446609 948333234 /nfs/dbraw/zinc/33/32/34/948333234.db2.gz KJJHQCKRYSKYTK-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573446609 948333240 /nfs/dbraw/zinc/33/32/40/948333240.db2.gz KJJHQCKRYSKYTK-TZMCWYRMSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573446615 948333415 /nfs/dbraw/zinc/33/34/15/948333415.db2.gz KMSCRRDJMVARHR-VXGBXAGGSA-N -1 1 390.473 0.655 20 0 GCADMM C[C@@H](C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573701580 948340315 /nfs/dbraw/zinc/34/03/15/948340315.db2.gz BDTMQXTTZWTQBA-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573701580 948340325 /nfs/dbraw/zinc/34/03/25/948340325.db2.gz BDTMQXTTZWTQBA-XSRFYTQQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573702603 948346409 /nfs/dbraw/zinc/34/64/09/948346409.db2.gz FVEGBIFJGITIJN-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573702603 948346417 /nfs/dbraw/zinc/34/64/17/948346417.db2.gz FVEGBIFJGITIJN-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573702540 948346758 /nfs/dbraw/zinc/34/67/58/948346758.db2.gz FCRJVIVQKSLCGV-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573702540 948346763 /nfs/dbraw/zinc/34/67/63/948346763.db2.gz FCRJVIVQKSLCGV-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573703676 948357909 /nfs/dbraw/zinc/35/79/09/948357909.db2.gz LYGFJADSFOBVQW-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573703676 948357916 /nfs/dbraw/zinc/35/79/16/948357916.db2.gz LYGFJADSFOBVQW-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(=O)NCCN(C(=O)c1n[nH]cc1I)[C@@H](C)C(=O)[O-] ZINC001602757816 971474131 /nfs/dbraw/zinc/47/41/31/971474131.db2.gz MRUAQPQJKWXFLT-LURJTMIESA-N -1 1 394.169 0.066 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001573704163 948365626 /nfs/dbraw/zinc/36/56/26/948365626.db2.gz PXOJKRUZGKETAS-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001573704163 948365632 /nfs/dbraw/zinc/36/56/32/948365632.db2.gz PXOJKRUZGKETAS-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573704982 948388472 /nfs/dbraw/zinc/38/84/72/948388472.db2.gz FMJYWLOFOKMPEY-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573705102 948391875 /nfs/dbraw/zinc/39/18/75/948391875.db2.gz FSZLXZUGTQGNFN-VXGBXAGGSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[n-]n2)n1 ZINC001573705418 948400519 /nfs/dbraw/zinc/40/05/19/948400519.db2.gz WQDYWVXOYPZLLW-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573705546 948403782 /nfs/dbraw/zinc/40/37/82/948403782.db2.gz FZSGVMZRNSIKGL-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1ccco1 ZINC001573705930 948409575 /nfs/dbraw/zinc/40/95/75/948409575.db2.gz HMZCUWMFMNYWCB-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1ccco1 ZINC001573705930 948409579 /nfs/dbraw/zinc/40/95/79/948409579.db2.gz HMZCUWMFMNYWCB-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1ccco1 ZINC001573705932 948409964 /nfs/dbraw/zinc/40/99/64/948409964.db2.gz HMZCUWMFMNYWCB-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1ccco1 ZINC001573705932 948409967 /nfs/dbraw/zinc/40/99/67/948409967.db2.gz HMZCUWMFMNYWCB-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573706166 948413673 /nfs/dbraw/zinc/41/36/73/948413673.db2.gz ZGVMGJSIRZOQCL-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573706166 948413682 /nfs/dbraw/zinc/41/36/82/948413682.db2.gz ZGVMGJSIRZOQCL-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[n-]n2)n1 ZINC001573706277 948415828 /nfs/dbraw/zinc/41/58/28/948415828.db2.gz HZEXFPRZCMCXIP-STQMWFEESA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573706250 948416094 /nfs/dbraw/zinc/41/60/94/948416094.db2.gz ZRXHQDAUQSYIJM-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573706308 948417285 /nfs/dbraw/zinc/41/72/85/948417285.db2.gz IEZOCGSADVXVJV-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573706308 948417291 /nfs/dbraw/zinc/41/72/91/948417291.db2.gz IEZOCGSADVXVJV-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573706637 948422349 /nfs/dbraw/zinc/42/23/49/948422349.db2.gz JYSGMLXCRUNIDC-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573706637 948422354 /nfs/dbraw/zinc/42/23/54/948422354.db2.gz JYSGMLXCRUNIDC-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(F)(F)F ZINC001573706622 948422612 /nfs/dbraw/zinc/42/26/12/948422612.db2.gz JRURCFVQZMYZQO-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(F)(F)F ZINC001573706622 948422615 /nfs/dbraw/zinc/42/26/15/948422615.db2.gz JRURCFVQZMYZQO-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573707086 948427521 /nfs/dbraw/zinc/42/75/21/948427521.db2.gz MGBNDJVLUOXATC-LLVKDONJSA-N -1 1 383.420 0.208 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573707086 948427534 /nfs/dbraw/zinc/42/75/34/948427534.db2.gz MGBNDJVLUOXATC-LLVKDONJSA-N -1 1 383.420 0.208 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573707178 948429394 /nfs/dbraw/zinc/42/93/94/948429394.db2.gz MVLZEDKYQHVLPK-GFCCVEGCSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573707178 948429396 /nfs/dbraw/zinc/42/93/96/948429396.db2.gz MVLZEDKYQHVLPK-GFCCVEGCSA-N -1 1 382.432 0.813 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCCC1 ZINC001573707978 948441839 /nfs/dbraw/zinc/44/18/39/948441839.db2.gz QMAMCPRHFSCVTO-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCCC1 ZINC001573707978 948441844 /nfs/dbraw/zinc/44/18/44/948441844.db2.gz QMAMCPRHFSCVTO-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(F)(F)F ZINC001573708258 948446185 /nfs/dbraw/zinc/44/61/85/948446185.db2.gz SHKSOTFALUTQQF-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573708941 948464412 /nfs/dbraw/zinc/46/44/12/948464412.db2.gz ZCWQCHTXCHKIKC-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)N(C)CC(F)(F)F ZINC001573713782 948467454 /nfs/dbraw/zinc/46/74/54/948467454.db2.gz BPZJCDIUJFMEKE-SECBINFHSA-N -1 1 387.370 0.092 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)N(C)CC(F)(F)F ZINC001573713782 948467460 /nfs/dbraw/zinc/46/74/60/948467460.db2.gz BPZJCDIUJFMEKE-SECBINFHSA-N -1 1 387.370 0.092 20 0 GCADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573714093 948469788 /nfs/dbraw/zinc/46/97/88/948469788.db2.gz DLXDMGFVINDLJN-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573714093 948469793 /nfs/dbraw/zinc/46/97/93/948469793.db2.gz DLXDMGFVINDLJN-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCCOCCN(C)c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573715913 948494710 /nfs/dbraw/zinc/49/47/10/948494710.db2.gz ARXLWDVWEJGIGM-STQMWFEESA-N -1 1 390.448 0.041 20 0 GCADMM C[C@@H](C(=O)NCCNC(=O)OCc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573717541 948510894 /nfs/dbraw/zinc/51/08/94/948510894.db2.gz FKCMLYUGQVLHFK-NSHDSACASA-N -1 1 385.388 0.062 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573721606 948540968 /nfs/dbraw/zinc/54/09/68/948540968.db2.gz ZHBICLJEGRXYDL-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccc1 ZINC001573726283 948549940 /nfs/dbraw/zinc/54/99/40/948549940.db2.gz HTXSPAXXHSUPNC-MGPQQGTHSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001573727751 948556965 /nfs/dbraw/zinc/55/69/65/948556965.db2.gz CBRMIVCHZUJZKP-JTQLQIEISA-N -1 1 390.400 0.879 20 0 GCADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001573727751 948556969 /nfs/dbraw/zinc/55/69/69/948556969.db2.gz CBRMIVCHZUJZKP-JTQLQIEISA-N -1 1 390.400 0.879 20 0 GCADMM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)S(=O)(=O)C1CCOCC1 ZINC001573730938 948586162 /nfs/dbraw/zinc/58/61/62/948586162.db2.gz STOKNRBVUVLTNI-VIFPVBQESA-N -1 1 385.471 0.527 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cncn1 ZINC001573732215 948601833 /nfs/dbraw/zinc/60/18/33/948601833.db2.gz MVCSPNWTTXUUJR-NKWVEPMBSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573739891 948625845 /nfs/dbraw/zinc/62/58/45/948625845.db2.gz IHFWLFSRTPMFCA-SFTQSGBHSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573739891 948625849 /nfs/dbraw/zinc/62/58/49/948625849.db2.gz IHFWLFSRTPMFCA-SFTQSGBHSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573740850 948643644 /nfs/dbraw/zinc/64/36/44/948643644.db2.gz PLHIPBSOBMLFSK-WQHBLYJGSA-N -1 1 390.354 0.944 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573740848 948643820 /nfs/dbraw/zinc/64/38/20/948643820.db2.gz PLHIPBSOBMLFSK-CKLFPEKLSA-N -1 1 390.354 0.944 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573741498 948653935 /nfs/dbraw/zinc/65/39/35/948653935.db2.gz BLIMWFANWGMCHE-BDAKNGLRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573741498 948653937 /nfs/dbraw/zinc/65/39/37/948653937.db2.gz BLIMWFANWGMCHE-BDAKNGLRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573745918 948675615 /nfs/dbraw/zinc/67/56/15/948675615.db2.gz GVEAOANDSNJGHK-OPRDCNLKSA-N -1 1 377.409 0.191 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573746465 948682384 /nfs/dbraw/zinc/68/23/84/948682384.db2.gz MAWJBRCBOINJGH-MGPQQGTHSA-N -1 1 381.444 0.981 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573746534 948684705 /nfs/dbraw/zinc/68/47/05/948684705.db2.gz NRMMQYDLVRIIMA-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573746534 948684712 /nfs/dbraw/zinc/68/47/12/948684712.db2.gz NRMMQYDLVRIIMA-IJLUTSLNSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1cccnc1 ZINC001573747348 948688998 /nfs/dbraw/zinc/68/89/98/948688998.db2.gz SBJFYWWLELGRBH-BZPMIXESSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1cccnc1 ZINC001573747348 948689004 /nfs/dbraw/zinc/68/90/04/948689004.db2.gz SBJFYWWLELGRBH-BZPMIXESSA-N -1 1 379.428 0.939 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573748466 948696893 /nfs/dbraw/zinc/69/68/93/948696893.db2.gz UJWXIGYPSFIPKZ-GMTAPVOTSA-N -1 1 391.436 0.439 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573753610 948719893 /nfs/dbraw/zinc/71/98/93/948719893.db2.gz VXOGYKBQXYPUQN-OPDFLTKYSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573753610 948719894 /nfs/dbraw/zinc/71/98/94/948719894.db2.gz VXOGYKBQXYPUQN-OPDFLTKYSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cccnc1 ZINC001573753643 948721074 /nfs/dbraw/zinc/72/10/74/948721074.db2.gz WNNJSAXDCJIMSF-CNXAATOLSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cccnc1 ZINC001573753643 948721078 /nfs/dbraw/zinc/72/10/78/948721078.db2.gz WNNJSAXDCJIMSF-CNXAATOLSA-N -1 1 377.412 0.406 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574075287 948744882 /nfs/dbraw/zinc/74/48/82/948744882.db2.gz WTTMCAUAUVLIJB-IUODEOHRSA-N -1 1 392.439 0.441 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574075287 948744893 /nfs/dbraw/zinc/74/48/93/948744893.db2.gz WTTMCAUAUVLIJB-IUODEOHRSA-N -1 1 392.439 0.441 20 0 GCADMM C[C@H](C(=O)Nc1ccccc1S(=O)(=O)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573754739 948746201 /nfs/dbraw/zinc/74/62/01/948746201.db2.gz JOFGOMVNRGHIRM-SECBINFHSA-N -1 1 388.413 0.594 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nnc2ccccc2n1 ZINC001574678455 948749322 /nfs/dbraw/zinc/74/93/22/948749322.db2.gz GAAPMWAUXNSXCY-JTQLQIEISA-N -1 1 391.399 0.615 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nnc2ccccc2n1 ZINC001574678455 948749325 /nfs/dbraw/zinc/74/93/25/948749325.db2.gz GAAPMWAUXNSXCY-JTQLQIEISA-N -1 1 391.399 0.615 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001574416630 948757240 /nfs/dbraw/zinc/75/72/40/948757240.db2.gz ZZWWVRLAANWKKG-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001574416630 948757256 /nfs/dbraw/zinc/75/72/56/948757256.db2.gz ZZWWVRLAANWKKG-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574679133 948765626 /nfs/dbraw/zinc/76/56/26/948765626.db2.gz OJWNFLUKMGARLB-MNOVXSKESA-N -1 1 382.432 0.807 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574679133 948765640 /nfs/dbraw/zinc/76/56/40/948765640.db2.gz OJWNFLUKMGARLB-MNOVXSKESA-N -1 1 382.432 0.807 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574418175 948774557 /nfs/dbraw/zinc/77/45/57/948774557.db2.gz UVFXBDNASZQPMO-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574418175 948774566 /nfs/dbraw/zinc/77/45/66/948774566.db2.gz UVFXBDNASZQPMO-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574679398 948780555 /nfs/dbraw/zinc/78/05/55/948780555.db2.gz UTVVTGQODVLVJB-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574679398 948780568 /nfs/dbraw/zinc/78/05/68/948780568.db2.gz UTVVTGQODVLVJB-LLVKDONJSA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COCc1cccnc1 ZINC001574679428 948780674 /nfs/dbraw/zinc/78/06/74/948780674.db2.gz VFZSHZDKYXDQQJ-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COCc1cccnc1 ZINC001574679428 948780683 /nfs/dbraw/zinc/78/06/83/948780683.db2.gz VFZSHZDKYXDQQJ-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM CC(C)c1ccc2c(c1)CCN(c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC001574418618 948780606 /nfs/dbraw/zinc/78/06/06/948780606.db2.gz ZAROWIZBQOGWTC-UHFFFAOYSA-N -1 1 381.440 0.950 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574419348 948783104 /nfs/dbraw/zinc/78/31/04/948783104.db2.gz CHVDIAGGDLLTNB-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574419348 948783113 /nfs/dbraw/zinc/78/31/13/948783113.db2.gz CHVDIAGGDLLTNB-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM C[C@H](C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755829 948787539 /nfs/dbraw/zinc/78/75/39/948787539.db2.gz JCVJBTJFEHRAQI-ZWNOBZJWSA-N -1 1 381.400 0.999 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1noc2c1COCC2 ZINC001574679557 948788119 /nfs/dbraw/zinc/78/81/19/948788119.db2.gz XWSUSYXBGFTRPZ-VIFPVBQESA-N -1 1 385.388 0.338 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1noc2c1COCC2 ZINC001574679557 948788139 /nfs/dbraw/zinc/78/81/39/948788139.db2.gz XWSUSYXBGFTRPZ-VIFPVBQESA-N -1 1 385.388 0.338 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574419610 948788376 /nfs/dbraw/zinc/78/83/76/948788376.db2.gz GVSZKQNMSKVYAT-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574419610 948788381 /nfs/dbraw/zinc/78/83/81/948788381.db2.gz GVSZKQNMSKVYAT-GFCCVEGCSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1F ZINC001574080307 948789334 /nfs/dbraw/zinc/78/93/34/948789334.db2.gz OSEHEKSMCFERPG-AWEZNQCLSA-N -1 1 387.375 0.782 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncc(F)cc1F ZINC001574679600 948789552 /nfs/dbraw/zinc/78/95/52/948789552.db2.gz YMGDTYPWKOTCEP-MRVPVSSYSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncc(F)cc1F ZINC001574679600 948789566 /nfs/dbraw/zinc/78/95/66/948789566.db2.gz YMGDTYPWKOTCEP-MRVPVSSYSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn2c1CCCC2 ZINC001574679619 948789917 /nfs/dbraw/zinc/78/99/17/948789917.db2.gz YVVPGTGMROQOET-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn2c1CCCC2 ZINC001574679619 948789932 /nfs/dbraw/zinc/78/99/32/948789932.db2.gz YVVPGTGMROQOET-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CNC(=O)CC(C)(C)C ZINC001574679880 948793935 /nfs/dbraw/zinc/79/39/35/948793935.db2.gz AMECRDMWPWSVJR-LLVKDONJSA-N -1 1 389.464 0.516 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CNC(=O)CC(C)(C)C ZINC001574679880 948793951 /nfs/dbraw/zinc/79/39/51/948793951.db2.gz AMECRDMWPWSVJR-LLVKDONJSA-N -1 1 389.464 0.516 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574420494 948797147 /nfs/dbraw/zinc/79/71/47/948797147.db2.gz VJVPMAPTEYGKHW-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574420494 948797163 /nfs/dbraw/zinc/79/71/63/948797163.db2.gz VJVPMAPTEYGKHW-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574420521 948800897 /nfs/dbraw/zinc/80/08/97/948800897.db2.gz WFIPDOIGCHWQFZ-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574420521 948800907 /nfs/dbraw/zinc/80/09/07/948800907.db2.gz WFIPDOIGCHWQFZ-LBPRGKRZSA-N -1 1 382.428 0.983 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575225180 948802317 /nfs/dbraw/zinc/80/23/17/948802317.db2.gz XNOODYYDXYADEC-SNVBAGLBSA-N -1 1 382.375 0.153 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574680333 948804803 /nfs/dbraw/zinc/80/48/03/948804803.db2.gz GBTQZPOFJDVEMY-XHDPSFHLSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574680333 948804813 /nfs/dbraw/zinc/80/48/13/948804813.db2.gz GBTQZPOFJDVEMY-XHDPSFHLSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001574680539 948807531 /nfs/dbraw/zinc/80/75/31/948807531.db2.gz ICDZWUPZBJAHMT-GTNSWQLSSA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001574680539 948807547 /nfs/dbraw/zinc/80/75/47/948807547.db2.gz ICDZWUPZBJAHMT-GTNSWQLSSA-N -1 1 387.448 0.412 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574421309 948815281 /nfs/dbraw/zinc/81/52/81/948815281.db2.gz IURZLYCLZTXUGX-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574421309 948815300 /nfs/dbraw/zinc/81/53/00/948815300.db2.gz IURZLYCLZTXUGX-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COC[C@H]1CCCO1 ZINC001574681343 948816876 /nfs/dbraw/zinc/81/68/76/948816876.db2.gz LRSODLJGNXJXHQ-VXGBXAGGSA-N -1 1 376.421 0.159 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COC[C@H]1CCCO1 ZINC001574681343 948816882 /nfs/dbraw/zinc/81/68/82/948816882.db2.gz LRSODLJGNXJXHQ-VXGBXAGGSA-N -1 1 376.421 0.159 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CC1 ZINC001575226431 948818800 /nfs/dbraw/zinc/81/88/00/948818800.db2.gz MBFAXNBPKJAVMN-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CC1 ZINC001575226431 948818818 /nfs/dbraw/zinc/81/88/18/948818818.db2.gz MBFAXNBPKJAVMN-GDGBQDQQSA-N -1 1 376.371 0.643 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C)c1C(F)F ZINC001574681713 948819956 /nfs/dbraw/zinc/81/99/56/948819956.db2.gz NALQWKAAPLPQRH-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C)c1C(F)F ZINC001574681713 948819975 /nfs/dbraw/zinc/81/99/75/948819975.db2.gz NALQWKAAPLPQRH-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccn(C(F)F)n1 ZINC001574683257 948845043 /nfs/dbraw/zinc/84/50/43/948845043.db2.gz WQOGYRWMDDJPIN-MRVPVSSYSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccn(C(F)F)n1 ZINC001574683257 948845056 /nfs/dbraw/zinc/84/50/56/948845056.db2.gz WQOGYRWMDDJPIN-MRVPVSSYSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574683397 948849056 /nfs/dbraw/zinc/84/90/56/948849056.db2.gz ZISJUFPFAJTNEG-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574683397 948849072 /nfs/dbraw/zinc/84/90/72/948849072.db2.gz ZISJUFPFAJTNEG-SNVBAGLBSA-N -1 1 385.436 0.624 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001575229787 948859562 /nfs/dbraw/zinc/85/95/62/948859562.db2.gz TZSYFXYQJQVBQG-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001575229787 948859582 /nfs/dbraw/zinc/85/95/82/948859582.db2.gz TZSYFXYQJQVBQG-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)CCNC(N)=O ZINC001574684217 948862198 /nfs/dbraw/zinc/86/21/98/948862198.db2.gz CDUYFABUOFWGDL-LURJTMIESA-N -1 1 387.857 0.342 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)CCNC(N)=O ZINC001574684217 948862212 /nfs/dbraw/zinc/86/22/12/948862212.db2.gz CDUYFABUOFWGDL-LURJTMIESA-N -1 1 387.857 0.342 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1COCCO1 ZINC001574684655 948877601 /nfs/dbraw/zinc/87/76/01/948877601.db2.gz KCEQLGQVKCXNSQ-YUMQZZPRSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1COCCO1 ZINC001574684654 948878004 /nfs/dbraw/zinc/87/80/04/948878004.db2.gz KCEQLGQVKCXNSQ-SFYZADRCSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1COCCO1 ZINC001574684645 948878468 /nfs/dbraw/zinc/87/84/68/948878468.db2.gz JPYFHVDNJMZBNJ-YUMQZZPRSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1COCCO1 ZINC001574684645 948878483 /nfs/dbraw/zinc/87/84/83/948878483.db2.gz JPYFHVDNJMZBNJ-YUMQZZPRSA-N -1 1 387.853 0.699 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575233164 948883434 /nfs/dbraw/zinc/88/34/34/948883434.db2.gz HKYZFBGREHLJOI-YFKPBYRVSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575233164 948883455 /nfs/dbraw/zinc/88/34/55/948883455.db2.gz HKYZFBGREHLJOI-YFKPBYRVSA-N -1 1 381.796 0.911 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC001574920422 948902492 /nfs/dbraw/zinc/90/24/92/948902492.db2.gz KVXWJOQZWKAJDS-JTQLQIEISA-N -1 1 387.375 0.578 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cn1cncn1 ZINC001574685212 948903708 /nfs/dbraw/zinc/90/37/08/948903708.db2.gz SVDFYHATKVZJJQ-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)(C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573765448 948908972 /nfs/dbraw/zinc/90/89/72/948908972.db2.gz GHZGKTGWCKBHMU-ZDUSSCGKSA-N -1 1 386.460 0.544 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088277 948918391 /nfs/dbraw/zinc/91/83/91/948918391.db2.gz AHPIHTHAYGIVDQ-QWHCGFSZSA-N -1 1 386.460 0.714 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088277 948918399 /nfs/dbraw/zinc/91/83/99/948918399.db2.gz AHPIHTHAYGIVDQ-QWHCGFSZSA-N -1 1 386.460 0.714 20 0 GCADMM CC(F)(F)CC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001575235468 948919657 /nfs/dbraw/zinc/91/96/57/948919657.db2.gz VNPVDNLUUQBWCG-CQSZACIVSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001575235468 948919669 /nfs/dbraw/zinc/91/96/69/948919669.db2.gz VNPVDNLUUQBWCG-CQSZACIVSA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)(C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573765651 948920028 /nfs/dbraw/zinc/92/00/28/948920028.db2.gz VLHIMTHUTKDCJK-VIFPVBQESA-N -1 1 382.375 0.009 20 0 GCADMM CC(C)(C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573765675 948921509 /nfs/dbraw/zinc/92/15/09/948921509.db2.gz WZXXDYCDKSAWNS-SECBINFHSA-N -1 1 382.375 0.587 20 0 GCADMM CC(C)(C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573765675 948921524 /nfs/dbraw/zinc/92/15/24/948921524.db2.gz WZXXDYCDKSAWNS-SECBINFHSA-N -1 1 382.375 0.587 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574431727 948924070 /nfs/dbraw/zinc/92/40/70/948924070.db2.gz ADJVSZQKLFITKY-LLVKDONJSA-N -1 1 382.432 0.825 20 0 GCADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001575235933 948932848 /nfs/dbraw/zinc/93/28/48/948932848.db2.gz SSHYKCJPLDDXHT-PHIMTYICSA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001575235933 948932858 /nfs/dbraw/zinc/93/28/58/948932858.db2.gz SSHYKCJPLDDXHT-PHIMTYICSA-N -1 1 378.387 0.987 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574923104 948933750 /nfs/dbraw/zinc/93/37/50/948933750.db2.gz DOUVKDUNPLXRHR-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574923104 948933754 /nfs/dbraw/zinc/93/37/54/948933754.db2.gz DOUVKDUNPLXRHR-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573766071 948934028 /nfs/dbraw/zinc/93/40/28/948934028.db2.gz XVFNPDBUQOPDJO-KBPBESRZSA-N -1 1 391.439 0.819 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574923424 948948089 /nfs/dbraw/zinc/94/80/89/948948089.db2.gz MDUHBLAWKIQALF-SNVBAGLBSA-N -1 1 390.839 0.761 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574923424 948948104 /nfs/dbraw/zinc/94/81/04/948948104.db2.gz MDUHBLAWKIQALF-SNVBAGLBSA-N -1 1 390.839 0.761 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574433134 948948690 /nfs/dbraw/zinc/94/86/90/948948690.db2.gz IKJUJFVAMZMARI-UHFFFAOYSA-N -1 1 382.432 0.476 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574433134 948948698 /nfs/dbraw/zinc/94/86/98/948948698.db2.gz IKJUJFVAMZMARI-UHFFFAOYSA-N -1 1 382.432 0.476 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574923513 948951786 /nfs/dbraw/zinc/95/17/86/948951786.db2.gz OTBINEKKIJNJFE-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574923513 948951798 /nfs/dbraw/zinc/95/17/98/948951798.db2.gz OTBINEKKIJNJFE-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433343 948952208 /nfs/dbraw/zinc/95/22/08/948952208.db2.gz VKQCZNVOQOFLJQ-LLVKDONJSA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)c1ncncc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433343 948952223 /nfs/dbraw/zinc/95/22/23/948952223.db2.gz VKQCZNVOQOFLJQ-LLVKDONJSA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)(C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)N1CCOCC1 ZINC001573772361 948958493 /nfs/dbraw/zinc/95/84/93/948958493.db2.gz ATFRLUVZJZHJKZ-UHFFFAOYSA-N -1 1 391.501 0.339 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574433630 948959944 /nfs/dbraw/zinc/95/99/44/948959944.db2.gz ZJNKTIJUMNDHHJ-XYPYZODXSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574433630 948959954 /nfs/dbraw/zinc/95/99/54/948959954.db2.gz ZJNKTIJUMNDHHJ-XYPYZODXSA-N -1 1 380.416 0.943 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574433778 948962266 /nfs/dbraw/zinc/96/22/66/948962266.db2.gz QAJXKKYUWCNFKC-UHFFFAOYSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574433778 948962281 /nfs/dbraw/zinc/96/22/81/948962281.db2.gz QAJXKKYUWCNFKC-UHFFFAOYSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573772589 948964776 /nfs/dbraw/zinc/96/47/76/948964776.db2.gz VRIVCSSUIPQJGU-SECBINFHSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574924142 948965722 /nfs/dbraw/zinc/96/57/22/948965722.db2.gz XJJDKBVZKZPVHO-JTQLQIEISA-N -1 1 390.839 0.538 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574924142 948965729 /nfs/dbraw/zinc/96/57/29/948965729.db2.gz XJJDKBVZKZPVHO-JTQLQIEISA-N -1 1 390.839 0.538 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574433827 948965937 /nfs/dbraw/zinc/96/59/37/948965937.db2.gz RRUVNVXTVOAGEC-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574433827 948965944 /nfs/dbraw/zinc/96/59/44/948965944.db2.gz RRUVNVXTVOAGEC-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574924143 948966754 /nfs/dbraw/zinc/96/67/54/948966754.db2.gz XJJDKBVZKZPVHO-SNVBAGLBSA-N -1 1 390.839 0.538 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574924143 948966763 /nfs/dbraw/zinc/96/67/63/948966763.db2.gz XJJDKBVZKZPVHO-SNVBAGLBSA-N -1 1 390.839 0.538 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)C(F)F ZINC001573773369 948982153 /nfs/dbraw/zinc/98/21/53/948982153.db2.gz LUEVRAYQGVMBGT-DTWKUNHWSA-N -1 1 382.375 0.004 20 0 GCADMM CC(F)(F)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001575242224 948984743 /nfs/dbraw/zinc/98/47/43/948984743.db2.gz IDAQPZLSPVYKIE-UHFFFAOYSA-N -1 1 390.391 0.967 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCO1 ZINC001573773673 948990506 /nfs/dbraw/zinc/99/05/06/948990506.db2.gz CVRCLRHYBUHUQQ-WCQYABFASA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCO1 ZINC001573773673 948990519 /nfs/dbraw/zinc/99/05/19/948990519.db2.gz CVRCLRHYBUHUQQ-WCQYABFASA-N -1 1 390.448 0.141 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574926305 948992911 /nfs/dbraw/zinc/99/29/11/948992911.db2.gz NEXXJRKSAAPAPO-ZDUSSCGKSA-N -1 1 381.444 0.734 20 0 GCADMM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1c[nH]cn1 ZINC001573773707 948993706 /nfs/dbraw/zinc/99/37/06/948993706.db2.gz FBTSISCTXNACAI-UHFFFAOYSA-N -1 1 382.432 0.230 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574689761 948994706 /nfs/dbraw/zinc/99/47/06/948994706.db2.gz LKTZJOFDGYDUCZ-WCQYABFASA-N -1 1 379.428 0.773 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574689761 948994718 /nfs/dbraw/zinc/99/47/18/948994718.db2.gz LKTZJOFDGYDUCZ-WCQYABFASA-N -1 1 379.428 0.773 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O)C(F)F ZINC001573774106 948998661 /nfs/dbraw/zinc/99/86/61/948998661.db2.gz QLKXGPYPVAFTHF-SCZZXKLOSA-N -1 1 382.375 0.004 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O)C(F)F ZINC001573774106 948998672 /nfs/dbraw/zinc/99/86/72/948998672.db2.gz QLKXGPYPVAFTHF-SCZZXKLOSA-N -1 1 382.375 0.004 20 0 GCADMM CC(F)(F)c1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001575243782 948999924 /nfs/dbraw/zinc/99/99/24/948999924.db2.gz QXDCDEYLQSJLJD-UHFFFAOYSA-N -1 1 391.338 0.671 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574926482 949000818 /nfs/dbraw/zinc/00/08/18/949000818.db2.gz RXUNEZNZALUCKZ-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574926482 949000836 /nfs/dbraw/zinc/00/08/36/949000836.db2.gz RXUNEZNZALUCKZ-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574439487 949009002 /nfs/dbraw/zinc/00/90/02/949009002.db2.gz FPPDSKREGCNAMH-UHFFFAOYSA-N -1 1 388.461 0.840 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574439487 949009024 /nfs/dbraw/zinc/00/90/24/949009024.db2.gz FPPDSKREGCNAMH-UHFFFAOYSA-N -1 1 388.461 0.840 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574439797 949012720 /nfs/dbraw/zinc/01/27/20/949012720.db2.gz ISEAHVYSKJLKAQ-VIFPVBQESA-N -1 1 386.445 0.640 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574439797 949012737 /nfs/dbraw/zinc/01/27/37/949012737.db2.gz ISEAHVYSKJLKAQ-VIFPVBQESA-N -1 1 386.445 0.640 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575245396 949026066 /nfs/dbraw/zinc/02/60/66/949026066.db2.gz AYBXDLDWQSAPRQ-WDEREUQCSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575245396 949026047 /nfs/dbraw/zinc/02/60/47/949026047.db2.gz AYBXDLDWQSAPRQ-WDEREUQCSA-N -1 1 389.464 0.148 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001573774984 949025886 /nfs/dbraw/zinc/02/58/86/949025886.db2.gz RARBWKLZUALPIA-NEPJUHHUSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001573774984 949025909 /nfs/dbraw/zinc/02/59/09/949025909.db2.gz RARBWKLZUALPIA-NEPJUHHUSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574440574 949033990 /nfs/dbraw/zinc/03/39/90/949033990.db2.gz SPMNSNQNVPARRE-SECBINFHSA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574440574 949034008 /nfs/dbraw/zinc/03/40/08/949034008.db2.gz SPMNSNQNVPARRE-SECBINFHSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926983 949034044 /nfs/dbraw/zinc/03/40/44/949034044.db2.gz DWOGJXQJAWGMHY-NSHDSACASA-N -1 1 389.464 0.373 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926983 949034061 /nfs/dbraw/zinc/03/40/61/949034061.db2.gz DWOGJXQJAWGMHY-NSHDSACASA-N -1 1 389.464 0.373 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575246433 949035717 /nfs/dbraw/zinc/03/57/17/949035717.db2.gz GJUJYPPOIDKTCE-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575246433 949035739 /nfs/dbraw/zinc/03/57/39/949035739.db2.gz GJUJYPPOIDKTCE-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575246006 949036220 /nfs/dbraw/zinc/03/62/20/949036220.db2.gz FZOWRDGFQNEDOA-SNVBAGLBSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575246006 949036239 /nfs/dbraw/zinc/03/62/39/949036239.db2.gz FZOWRDGFQNEDOA-SNVBAGLBSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574927205 949040377 /nfs/dbraw/zinc/04/03/77/949040377.db2.gz HFPOGPMHMTVLLV-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574927205 949040353 /nfs/dbraw/zinc/04/03/53/949040353.db2.gz HFPOGPMHMTVLLV-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575246995 949040454 /nfs/dbraw/zinc/04/04/54/949040454.db2.gz HRRYELSQWPRMCJ-MNOVXSKESA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574927237 949040907 /nfs/dbraw/zinc/04/09/07/949040907.db2.gz ICQAMYRMRMOMJD-LURJTMIESA-N -1 1 384.853 0.419 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574927237 949040892 /nfs/dbraw/zinc/04/08/92/949040892.db2.gz ICQAMYRMRMOMJD-LURJTMIESA-N -1 1 384.853 0.419 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574440954 949041179 /nfs/dbraw/zinc/04/11/79/949041179.db2.gz ZGAXJUNBUOCJIG-VIFPVBQESA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574440954 949041199 /nfs/dbraw/zinc/04/11/99/949041199.db2.gz ZGAXJUNBUOCJIG-VIFPVBQESA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574692971 949044937 /nfs/dbraw/zinc/04/49/37/949044937.db2.gz FFCVZLCJLALCAX-QWHCGFSZSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575247562 949045417 /nfs/dbraw/zinc/04/54/17/949045417.db2.gz JQEQTVARXAQMTQ-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575247562 949045398 /nfs/dbraw/zinc/04/53/98/949045398.db2.gz JQEQTVARXAQMTQ-VHSXEESVSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575247517 949046590 /nfs/dbraw/zinc/04/65/90/949046590.db2.gz JIWVHVXFBVPAOW-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575247517 949046610 /nfs/dbraw/zinc/04/66/10/949046610.db2.gz JIWVHVXFBVPAOW-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574693172 949051939 /nfs/dbraw/zinc/05/19/39/949051939.db2.gz BINLTRMFIVNYTJ-LLVKDONJSA-N -1 1 383.416 0.697 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574693172 949051957 /nfs/dbraw/zinc/05/19/57/949051957.db2.gz BINLTRMFIVNYTJ-LLVKDONJSA-N -1 1 383.416 0.697 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574693208 949052523 /nfs/dbraw/zinc/05/25/23/949052523.db2.gz CNMFXEFZROTSFE-SNVBAGLBSA-N -1 1 382.432 0.879 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574693208 949052542 /nfs/dbraw/zinc/05/25/42/949052542.db2.gz CNMFXEFZROTSFE-SNVBAGLBSA-N -1 1 382.432 0.879 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575247957 949053696 /nfs/dbraw/zinc/05/36/96/949053696.db2.gz MBSLQLDMZAZEJZ-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575247957 949053675 /nfs/dbraw/zinc/05/36/75/949053675.db2.gz MBSLQLDMZAZEJZ-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575504034 949056452 /nfs/dbraw/zinc/05/64/52/949056452.db2.gz QYUMMTMHZKJJTI-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575504034 949056471 /nfs/dbraw/zinc/05/64/71/949056471.db2.gz QYUMMTMHZKJJTI-IJLUTSLNSA-N -1 1 381.400 0.578 20 0 GCADMM CC(C)(C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1c[nH]cn1 ZINC001573779306 949057871 /nfs/dbraw/zinc/05/78/71/949057871.db2.gz GWSVYJUDESTUTD-UHFFFAOYSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575504044 949060033 /nfs/dbraw/zinc/06/00/33/949060033.db2.gz RAXQRYFYQQALJE-NEPJUHHUSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575504044 949060052 /nfs/dbraw/zinc/06/00/52/949060052.db2.gz RAXQRYFYQQALJE-NEPJUHHUSA-N -1 1 383.416 0.460 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573779303 949060580 /nfs/dbraw/zinc/06/05/80/949060580.db2.gz GTQJIIAYHWQCEJ-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573779303 949060599 /nfs/dbraw/zinc/06/05/99/949060599.db2.gz GTQJIIAYHWQCEJ-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574441506 949062860 /nfs/dbraw/zinc/06/28/60/949062860.db2.gz NBLAQJKDXRMZSW-RTUWITSCSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574441506 949062878 /nfs/dbraw/zinc/06/28/78/949062878.db2.gz NBLAQJKDXRMZSW-RTUWITSCSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574441660 949069967 /nfs/dbraw/zinc/06/99/67/949069967.db2.gz RJQLJIKZDBIWGU-MSRIBSCDSA-N -1 1 381.400 0.633 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575248401 949069974 /nfs/dbraw/zinc/06/99/74/949069974.db2.gz RKEFURBEELICKS-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575248401 949069992 /nfs/dbraw/zinc/06/99/92/949069992.db2.gz RKEFURBEELICKS-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)NC/C=C/CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575504479 949072762 /nfs/dbraw/zinc/07/27/62/949072762.db2.gz VMMUCUVOKYPSKO-JDGPPOGSSA-N -1 1 381.400 0.025 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574441734 949074130 /nfs/dbraw/zinc/07/41/30/949074130.db2.gz VGKFMPUBYYLCRL-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574441734 949074144 /nfs/dbraw/zinc/07/41/44/949074144.db2.gz VGKFMPUBYYLCRL-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)(C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573779914 949075197 /nfs/dbraw/zinc/07/51/97/949075197.db2.gz PLRWBWUSCFCNGK-UHFFFAOYSA-N -1 1 382.432 0.664 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575248870 949077269 /nfs/dbraw/zinc/07/72/69/949077269.db2.gz WTWOUFXPFPHBIR-LLVKDONJSA-N -1 1 389.464 0.102 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575248870 949077287 /nfs/dbraw/zinc/07/72/87/949077287.db2.gz WTWOUFXPFPHBIR-LLVKDONJSA-N -1 1 389.464 0.102 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574694512 949080059 /nfs/dbraw/zinc/08/00/59/949080059.db2.gz QLJPCIRYZQLNCO-BQBZGAKWSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574694512 949080079 /nfs/dbraw/zinc/08/00/79/949080079.db2.gz QLJPCIRYZQLNCO-BQBZGAKWSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575504765 949082550 /nfs/dbraw/zinc/08/25/50/949082550.db2.gz XMLJIJZLQFRGHB-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575504765 949082568 /nfs/dbraw/zinc/08/25/68/949082568.db2.gz XMLJIJZLQFRGHB-NEPJUHHUSA-N -1 1 381.400 0.214 20 0 GCADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1c[nH]cn1 ZINC001573780224 949084504 /nfs/dbraw/zinc/08/45/04/949084504.db2.gz TUAJDXPYJSCOJV-UHFFFAOYSA-N -1 1 382.432 0.808 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(F)F ZINC001573780335 949088059 /nfs/dbraw/zinc/08/80/59/949088059.db2.gz WMRJQNDCSPLQNR-OWUUHHOZSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@H](NC(=O)C(=O)C(C)(C)C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249253 949095561 /nfs/dbraw/zinc/09/55/61/949095561.db2.gz YLCSXCYJPOQGPK-NWDGAFQWSA-N -1 1 386.460 0.993 20 0 GCADMM C[C@H](NC(=O)C(=O)C(C)(C)C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249253 949095582 /nfs/dbraw/zinc/09/55/82/949095582.db2.gz YLCSXCYJPOQGPK-NWDGAFQWSA-N -1 1 386.460 0.993 20 0 GCADMM C[C@H](CNC(=O)COCCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574929541 949097250 /nfs/dbraw/zinc/09/72/50/949097250.db2.gz GFJCOXKRJZPXHJ-CYBMUJFWSA-N -1 1 382.428 0.833 20 0 GCADMM C[C@H](CNC(=O)COCCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574929541 949097229 /nfs/dbraw/zinc/09/72/29/949097229.db2.gz GFJCOXKRJZPXHJ-CYBMUJFWSA-N -1 1 382.428 0.833 20 0 GCADMM CC(C)(C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1c[nH]cn1 ZINC001573781028 949097343 /nfs/dbraw/zinc/09/73/43/949097343.db2.gz ALENGIJMXQKKQT-UHFFFAOYSA-N -1 1 382.432 0.443 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H](C)CC(N)=O ZINC001574695146 949103105 /nfs/dbraw/zinc/10/31/05/949103105.db2.gz CUDGMVSMKKSOJL-RNFRBKRXSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H](C)CC(N)=O ZINC001574695146 949103113 /nfs/dbraw/zinc/10/31/13/949103113.db2.gz CUDGMVSMKKSOJL-RNFRBKRXSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574930217 949104295 /nfs/dbraw/zinc/10/42/95/949104295.db2.gz JXKHZDQFPJJUJX-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574930217 949104308 /nfs/dbraw/zinc/10/43/08/949104308.db2.gz JXKHZDQFPJJUJX-GFCCVEGCSA-N -1 1 383.416 0.209 20 0 GCADMM C[C@H](CC(N)=O)C(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574695147 949105839 /nfs/dbraw/zinc/10/58/39/949105839.db2.gz CUDGMVSMKKSOJL-RQJHMYQMSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@H](CC(N)=O)C(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574695147 949105848 /nfs/dbraw/zinc/10/58/48/949105848.db2.gz CUDGMVSMKKSOJL-RQJHMYQMSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575250070 949106003 /nfs/dbraw/zinc/10/60/03/949106003.db2.gz CYUSUAYUAHUGHR-NKWVEPMBSA-N -1 1 384.853 0.183 20 0 GCADMM C[C@H](NC(=O)C(N)=O)[C@@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575250070 949105996 /nfs/dbraw/zinc/10/59/96/949105996.db2.gz CYUSUAYUAHUGHR-NKWVEPMBSA-N -1 1 384.853 0.183 20 0 GCADMM CC(C)(C(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573781524 949107835 /nfs/dbraw/zinc/10/78/35/949107835.db2.gz IWYFEBFDMWYQBM-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC(C)(C(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573781524 949107848 /nfs/dbraw/zinc/10/78/48/949107848.db2.gz IWYFEBFDMWYQBM-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC(C)[C@H]1C[C@H](CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574093557 949109608 /nfs/dbraw/zinc/10/96/08/949109608.db2.gz SSOZHFOUDYBDRH-DGCLKSJQSA-N -1 1 391.432 0.087 20 0 GCADMM CC(C)(C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1c[nH]cn1 ZINC001573781674 949111243 /nfs/dbraw/zinc/11/12/43/949111243.db2.gz MAEFHCYMBAHDNO-UHFFFAOYSA-N -1 1 382.432 0.443 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574695400 949113153 /nfs/dbraw/zinc/11/31/53/949113153.db2.gz HABKGRRMLGTZIF-JTQLQIEISA-N -1 1 383.420 0.594 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574695400 949113162 /nfs/dbraw/zinc/11/31/62/949113162.db2.gz HABKGRRMLGTZIF-JTQLQIEISA-N -1 1 383.420 0.594 20 0 GCADMM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575250698 949114917 /nfs/dbraw/zinc/11/49/17/949114917.db2.gz GKSYETSBNKRLTC-RYUDHWBXSA-N -1 1 389.464 0.073 20 0 GCADMM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575250698 949114931 /nfs/dbraw/zinc/11/49/31/949114931.db2.gz GKSYETSBNKRLTC-RYUDHWBXSA-N -1 1 389.464 0.073 20 0 GCADMM Cn1cc(S(=O)(=O)Nc2cccc3c2CCN3S(C)(=O)=O)cc1C(=O)[O-] ZINC000368301653 971549710 /nfs/dbraw/zinc/54/97/10/971549710.db2.gz LIMMZLDNGUJDAQ-UHFFFAOYSA-N -1 1 399.450 0.846 20 0 GCADMM CC(C)(C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573782346 949121519 /nfs/dbraw/zinc/12/15/19/949121519.db2.gz SIHXLWVLZDYPJI-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1noc2c1COCC2 ZINC001574696028 949121708 /nfs/dbraw/zinc/12/17/08/949121708.db2.gz MARMFHUBCGEDIX-SECBINFHSA-N -1 1 385.388 0.338 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1noc2c1COCC2 ZINC001574696028 949121720 /nfs/dbraw/zinc/12/17/20/949121720.db2.gz MARMFHUBCGEDIX-SECBINFHSA-N -1 1 385.388 0.338 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1c[nH]cn1 ZINC001573782426 949124980 /nfs/dbraw/zinc/12/49/80/949124980.db2.gz UKQTUFRZIZMVJW-PHIMTYICSA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCC1 ZINC001573782728 949129754 /nfs/dbraw/zinc/12/97/54/949129754.db2.gz WNBCNKJCIUEODE-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCC1 ZINC001573782728 949129771 /nfs/dbraw/zinc/12/97/71/949129771.db2.gz WNBCNKJCIUEODE-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C(N)=O)s1 ZINC001574696614 949131909 /nfs/dbraw/zinc/13/19/09/949131909.db2.gz SHEFEELUNTWIIM-MRVPVSSYSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C(N)=O)s1 ZINC001574696614 949131921 /nfs/dbraw/zinc/13/19/21/949131921.db2.gz SHEFEELUNTWIIM-MRVPVSSYSA-N -1 1 387.429 0.438 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575251202 949133438 /nfs/dbraw/zinc/13/34/38/949133438.db2.gz MCDOJZREPIPEII-GARJFASQSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575251202 949133451 /nfs/dbraw/zinc/13/34/51/949133451.db2.gz MCDOJZREPIPEII-GARJFASQSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574696659 949139581 /nfs/dbraw/zinc/13/95/81/949139581.db2.gz TYWZQZYFKJBNHQ-ZETCQYMHSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574696659 949139588 /nfs/dbraw/zinc/13/95/88/949139588.db2.gz TYWZQZYFKJBNHQ-ZETCQYMHSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COCc1cccnc1 ZINC001574696818 949141499 /nfs/dbraw/zinc/14/14/99/949141499.db2.gz VAZPWIPPYFZTKG-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COCc1cccnc1 ZINC001574696818 949141511 /nfs/dbraw/zinc/14/15/11/949141511.db2.gz VAZPWIPPYFZTKG-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573783141 949141796 /nfs/dbraw/zinc/14/17/96/949141796.db2.gz SWGCZKNZJWCBQX-KYZUINATSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1occ2c1CCOC2 ZINC001574697008 949146568 /nfs/dbraw/zinc/14/65/68/949146568.db2.gz XBJCPQISBJMDFD-JTQLQIEISA-N -1 1 384.400 0.943 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1occ2c1CCOC2 ZINC001574697008 949146577 /nfs/dbraw/zinc/14/65/77/949146577.db2.gz XBJCPQISBJMDFD-JTQLQIEISA-N -1 1 384.400 0.943 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001574095433 949150301 /nfs/dbraw/zinc/15/03/01/949150301.db2.gz YEWOSYCORRGNKA-ZFWWWQNUSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001574095433 949150313 /nfs/dbraw/zinc/15/03/13/949150313.db2.gz YEWOSYCORRGNKA-ZFWWWQNUSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574697185 949150939 /nfs/dbraw/zinc/15/09/39/949150939.db2.gz ZRRZDINHGGEHRG-ZJQBRPOHSA-N -1 1 388.432 0.015 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574697185 949150944 /nfs/dbraw/zinc/15/09/44/949150944.db2.gz ZRRZDINHGGEHRG-ZJQBRPOHSA-N -1 1 388.432 0.015 20 0 GCADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574447154 949153014 /nfs/dbraw/zinc/15/30/14/949153014.db2.gz IQCPCPLTFWGUPT-XYPYZODXSA-N -1 1 383.416 0.811 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001573786983 949157958 /nfs/dbraw/zinc/15/79/58/949157958.db2.gz HXIAQQFBXZQSLJ-LLVKDONJSA-N -1 1 390.448 0.960 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001573786983 949157963 /nfs/dbraw/zinc/15/79/63/949157963.db2.gz HXIAQQFBXZQSLJ-LLVKDONJSA-N -1 1 390.448 0.960 20 0 GCADMM CC(C)c1ocnc1C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574447503 949160439 /nfs/dbraw/zinc/16/04/39/949160439.db2.gz QIKUISCUSMQQTI-UHFFFAOYSA-N -1 1 383.416 0.907 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1ccccn1 ZINC001573787316 949174417 /nfs/dbraw/zinc/17/44/17/949174417.db2.gz SRUHXPORJUEIDY-UHFFFAOYSA-N -1 1 383.416 0.738 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1ccccn1 ZINC001573787316 949174427 /nfs/dbraw/zinc/17/44/27/949174427.db2.gz SRUHXPORJUEIDY-UHFFFAOYSA-N -1 1 383.416 0.738 20 0 GCADMM C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934754 949174410 /nfs/dbraw/zinc/17/44/10/949174410.db2.gz PXMRNWPSMFBHJC-JTQLQIEISA-N -1 1 388.819 0.728 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934838 949177808 /nfs/dbraw/zinc/17/78/08/949177808.db2.gz SELVLCOGOINLME-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934838 949177827 /nfs/dbraw/zinc/17/78/27/949177827.db2.gz SELVLCOGOINLME-SECBINFHSA-N -1 1 390.354 0.931 20 0 GCADMM CC(C)c1oncc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574448303 949181265 /nfs/dbraw/zinc/18/12/65/949181265.db2.gz HPTWZOUPEWUJFV-NSHDSACASA-N -1 1 383.416 0.907 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574934896 949181632 /nfs/dbraw/zinc/18/16/32/949181632.db2.gz ULHWODYPNMLUHQ-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575253142 949182449 /nfs/dbraw/zinc/18/24/49/949182449.db2.gz SOYMOLMIVQADRZ-MXWKQRLJSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575253142 949182434 /nfs/dbraw/zinc/18/24/34/949182434.db2.gz SOYMOLMIVQADRZ-MXWKQRLJSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934999 949188477 /nfs/dbraw/zinc/18/84/77/949188477.db2.gz WPVCMXYOXZBYOX-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934999 949188483 /nfs/dbraw/zinc/18/84/83/949188483.db2.gz WPVCMXYOXZBYOX-VIFPVBQESA-N -1 1 390.354 0.931 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2ncccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574935586 949199137 /nfs/dbraw/zinc/19/91/37/949199137.db2.gz CLAIMVVLNVGJAL-SNVBAGLBSA-N -1 1 378.400 0.692 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2ncccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574935586 949199155 /nfs/dbraw/zinc/19/91/55/949199155.db2.gz CLAIMVVLNVGJAL-SNVBAGLBSA-N -1 1 378.400 0.692 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573788629 949203436 /nfs/dbraw/zinc/20/34/36/949203436.db2.gz QBQLCOIBAGKUMG-OLQVQODUSA-N -1 1 384.853 0.547 20 0 GCADMM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935702 949204624 /nfs/dbraw/zinc/20/46/24/949204624.db2.gz FRRXNNBAANTUNY-SNVBAGLBSA-N -1 1 383.416 0.706 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574102722 949204980 /nfs/dbraw/zinc/20/49/80/949204980.db2.gz ABDSKQHDHSPTKI-UGSOOPFHSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574102722 949204999 /nfs/dbraw/zinc/20/49/99/949204999.db2.gz ABDSKQHDHSPTKI-UGSOOPFHSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001574102797 949210700 /nfs/dbraw/zinc/21/07/00/949210700.db2.gz BNNZWSKRTDIZEQ-FZKQIMNGSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001574102797 949210725 /nfs/dbraw/zinc/21/07/25/949210725.db2.gz BNNZWSKRTDIZEQ-FZKQIMNGSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@]1(C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCC(=O)N1 ZINC001575853561 949211922 /nfs/dbraw/zinc/21/19/22/949211922.db2.gz SMRKTWGXUSKSRY-KRWDZBQOSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@]1(C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCC(=O)N1 ZINC001575853561 949211943 /nfs/dbraw/zinc/21/19/43/949211943.db2.gz SMRKTWGXUSKSRY-KRWDZBQOSA-N -1 1 385.432 0.118 20 0 GCADMM CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574102895 949212299 /nfs/dbraw/zinc/21/22/99/949212299.db2.gz FSUCTUXCPAVGGK-UGSOOPFHSA-N -1 1 386.460 0.899 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001575853489 949212816 /nfs/dbraw/zinc/21/28/16/949212816.db2.gz SEGLQYSVBCHQCO-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001575853489 949212838 /nfs/dbraw/zinc/21/28/38/949212838.db2.gz SEGLQYSVBCHQCO-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM C[C@H]1CCC[C@@H](CNC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001576151275 949214961 /nfs/dbraw/zinc/21/49/61/949214961.db2.gz FQLJUOUQQVJWMU-WDEREUQCSA-N -1 1 388.432 0.522 20 0 GCADMM C[C@@]1(C(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCC(=O)N1 ZINC001575853903 949223160 /nfs/dbraw/zinc/22/31/60/949223160.db2.gz OJERWXWMSGGSBW-KRWDZBQOSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@]1(C(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCC(=O)N1 ZINC001575853903 949223174 /nfs/dbraw/zinc/22/31/74/949223174.db2.gz OJERWXWMSGGSBW-KRWDZBQOSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574699213 949232529 /nfs/dbraw/zinc/23/25/29/949232529.db2.gz UFPJFDDBGVYUIV-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574699213 949232543 /nfs/dbraw/zinc/23/25/43/949232543.db2.gz UFPJFDDBGVYUIV-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H]1CCC[C@@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576151639 949233580 /nfs/dbraw/zinc/23/35/80/949233580.db2.gz HTOJXAONJFZTFJ-WDEREUQCSA-N -1 1 376.421 0.255 20 0 GCADMM C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576151916 949235824 /nfs/dbraw/zinc/23/58/24/949235824.db2.gz GRJCJCUGRHZMKB-XDQVBPFNSA-N -1 1 386.460 0.733 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001575854412 949235677 /nfs/dbraw/zinc/23/56/77/949235677.db2.gz VQPUWKDYRDUATK-QGZVFWFLSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576151914 949236007 /nfs/dbraw/zinc/23/60/07/949236007.db2.gz GRJCJCUGRHZMKB-SYQHCUMBSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576151906 949236906 /nfs/dbraw/zinc/23/69/06/949236906.db2.gz GRJCJCUGRHZMKB-IGQOVBAYSA-N -1 1 386.460 0.733 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001575854666 949239250 /nfs/dbraw/zinc/23/92/50/949239250.db2.gz ZNGFAPSPGWASIO-CYBMUJFWSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574700015 949249597 /nfs/dbraw/zinc/24/95/97/949249597.db2.gz XUGVMYDBFPGAQN-VXGBXAGGSA-N -1 1 383.416 0.200 20 0 GCADMM CC(C)n1cc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001574451941 949250316 /nfs/dbraw/zinc/25/03/16/949250316.db2.gz BHDNCOWCCYQEKC-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001574451941 949250337 /nfs/dbraw/zinc/25/03/37/949250337.db2.gz BHDNCOWCCYQEKC-UHFFFAOYSA-N -1 1 382.432 0.787 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452203 949252779 /nfs/dbraw/zinc/25/27/79/949252779.db2.gz GCKODDMZKDLAHL-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452203 949252806 /nfs/dbraw/zinc/25/28/06/949252806.db2.gz GCKODDMZKDLAHL-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452003 949253350 /nfs/dbraw/zinc/25/33/50/949253350.db2.gz DSGPMMVUGIGNRV-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452003 949253371 /nfs/dbraw/zinc/25/33/71/949253371.db2.gz DSGPMMVUGIGNRV-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574940168 949254638 /nfs/dbraw/zinc/25/46/38/949254638.db2.gz AKIAONBIZNORJG-LLVKDONJSA-N -1 1 380.412 0.751 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574940168 949254654 /nfs/dbraw/zinc/25/46/54/949254654.db2.gz AKIAONBIZNORJG-LLVKDONJSA-N -1 1 380.412 0.751 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452228 949258559 /nfs/dbraw/zinc/25/85/59/949258559.db2.gz GZSLPZAYWJUGJR-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452228 949258581 /nfs/dbraw/zinc/25/85/81/949258581.db2.gz GZSLPZAYWJUGJR-CYBMUJFWSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574940395 949260528 /nfs/dbraw/zinc/26/05/28/949260528.db2.gz DXKDBTVFYIFUSB-SNVBAGLBSA-N -1 1 388.382 0.764 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cn1 ZINC001574452823 949267954 /nfs/dbraw/zinc/26/79/54/949267954.db2.gz NLZLPLCIFBZUPC-CYBMUJFWSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)CC(=O)N1CCC2(CC1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001574106114 949273854 /nfs/dbraw/zinc/27/38/54/949273854.db2.gz FCXYOPHZSXXRPU-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(=O)N1CCC2(CC1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001574106114 949273879 /nfs/dbraw/zinc/27/38/79/949273879.db2.gz FCXYOPHZSXXRPU-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(=O)N1CCC2(CC1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001574107003 949276538 /nfs/dbraw/zinc/27/65/38/949276538.db2.gz ILYAOZISQGTTLB-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(=O)N1CCC2(CC1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001574107003 949276557 /nfs/dbraw/zinc/27/65/57/949276557.db2.gz ILYAOZISQGTTLB-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)C(=O)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573793066 949281615 /nfs/dbraw/zinc/28/16/15/949281615.db2.gz JTMWIDGMWCYVRW-VXGBXAGGSA-N -1 1 384.444 0.842 20 0 GCADMM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001575257889 949283030 /nfs/dbraw/zinc/28/30/30/949283030.db2.gz CORDSKPTNAMDCY-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001575257889 949283050 /nfs/dbraw/zinc/28/30/50/949283050.db2.gz CORDSKPTNAMDCY-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ncccc2O)CC1 ZINC001575858058 949283588 /nfs/dbraw/zinc/28/35/88/949283588.db2.gz ZQWGXGCPRGVFTK-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM CC1(Nc2nccnc2-c2nn[nH]n2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001575858058 949283610 /nfs/dbraw/zinc/28/36/10/949283610.db2.gz ZQWGXGCPRGVFTK-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)cn1 ZINC001574454928 949294185 /nfs/dbraw/zinc/29/41/85/949294185.db2.gz HIWIRIKIWYRBIN-JYAVWHMHSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)cn1 ZINC001574454928 949294209 /nfs/dbraw/zinc/29/42/09/949294209.db2.gz HIWIRIKIWYRBIN-JYAVWHMHSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cn1 ZINC001574455349 949300677 /nfs/dbraw/zinc/30/06/77/949300677.db2.gz OCDQLONLSQJAAT-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cn1 ZINC001574455349 949300701 /nfs/dbraw/zinc/30/07/01/949300701.db2.gz OCDQLONLSQJAAT-BXUZGUMPSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574455643 949312200 /nfs/dbraw/zinc/31/22/00/949312200.db2.gz TUIWENYZNSVYRM-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574455643 949312219 /nfs/dbraw/zinc/31/22/19/949312219.db2.gz TUIWENYZNSVYRM-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573794710 949316181 /nfs/dbraw/zinc/31/61/81/949316181.db2.gz HXWWUIRBLUHDLM-SNVBAGLBSA-N -1 1 379.446 0.213 20 0 GCADMM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573794710 949316205 /nfs/dbraw/zinc/31/62/05/949316205.db2.gz HXWWUIRBLUHDLM-SNVBAGLBSA-N -1 1 379.446 0.213 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)n1 ZINC001574457378 949325721 /nfs/dbraw/zinc/32/57/21/949325721.db2.gz JTCOLLGMIGSGBC-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)n1 ZINC001574457378 949325738 /nfs/dbraw/zinc/32/57/38/949325738.db2.gz JTCOLLGMIGSGBC-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001574457389 949327863 /nfs/dbraw/zinc/32/78/63/949327863.db2.gz KAYFVUUCJZMJRG-CHWSQXEVSA-N -1 1 396.459 0.676 20 0 GCADMM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575259678 949335930 /nfs/dbraw/zinc/33/59/30/949335930.db2.gz PZFZXTOTKDZJFC-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575259678 949335954 /nfs/dbraw/zinc/33/59/54/949335954.db2.gz PZFZXTOTKDZJFC-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)N1CCOC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001573797059 949351518 /nfs/dbraw/zinc/35/15/18/949351518.db2.gz ZKVZMTNIWTYFTK-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)C(=O)N1CCOC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001573797059 949351530 /nfs/dbraw/zinc/35/15/30/949351530.db2.gz ZKVZMTNIWTYFTK-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CCCC(=O)[O-])C1=O ZINC001589613854 949352006 /nfs/dbraw/zinc/35/20/06/949352006.db2.gz YTVFTTNMRRMMSO-SFHVURJKSA-N -1 1 376.413 0.672 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)n1 ZINC001574459399 949357215 /nfs/dbraw/zinc/35/72/15/949357215.db2.gz FCWNBVQCRPPSOC-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)n1 ZINC001574459399 949357234 /nfs/dbraw/zinc/35/72/34/949357234.db2.gz FCWNBVQCRPPSOC-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)N(C)c2nccnc2-c2nnn[n-]2)n1 ZINC001574942643 949358125 /nfs/dbraw/zinc/35/81/25/949358125.db2.gz QEJCWENHZSSYRP-LBPRGKRZSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)N(C)c2nccnc2-c2nn[n-]n2)n1 ZINC001574942643 949358148 /nfs/dbraw/zinc/35/81/48/949358148.db2.gz QEJCWENHZSSYRP-LBPRGKRZSA-N -1 1 384.448 0.618 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260633 949360841 /nfs/dbraw/zinc/36/08/41/949360841.db2.gz WPPJXTOLCICJOP-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260633 949360863 /nfs/dbraw/zinc/36/08/63/949360863.db2.gz WPPJXTOLCICJOP-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574459900 949365430 /nfs/dbraw/zinc/36/54/30/949365430.db2.gz ONARPQKPZDDYAK-JOCQHMNTSA-N -1 1 382.432 0.736 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574459900 949365455 /nfs/dbraw/zinc/36/54/55/949365455.db2.gz ONARPQKPZDDYAK-JOCQHMNTSA-N -1 1 382.432 0.736 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575260888 949366646 /nfs/dbraw/zinc/36/66/46/949366646.db2.gz YFRYVXIHXMAGGO-JSGCOSHPSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575260888 949366659 /nfs/dbraw/zinc/36/66/59/949366659.db2.gz YFRYVXIHXMAGGO-JSGCOSHPSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001575864868 949367320 /nfs/dbraw/zinc/36/73/20/949367320.db2.gz IWJCATAMSRLJJD-SNVBAGLBSA-N -1 1 382.388 0.011 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)n1 ZINC001574460147 949371294 /nfs/dbraw/zinc/37/12/94/949371294.db2.gz QGCXQKFCMQEIIV-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001574460147 949371313 /nfs/dbraw/zinc/37/13/13/949371313.db2.gz QGCXQKFCMQEIIV-NEPJUHHUSA-N -1 1 382.432 0.831 20 0 GCADMM CC1=NO[C@H](CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001575865224 949372015 /nfs/dbraw/zinc/37/20/15/949372015.db2.gz KMLBJHAVOMIKKV-NEPJUHHUSA-N -1 1 386.420 0.042 20 0 GCADMM CC1=NO[C@H](CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001575865224 949372035 /nfs/dbraw/zinc/37/20/35/949372035.db2.gz KMLBJHAVOMIKKV-NEPJUHHUSA-N -1 1 386.420 0.042 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575261024 949372291 /nfs/dbraw/zinc/37/22/91/949372291.db2.gz ZRVUERQNDYOUCJ-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575261024 949372311 /nfs/dbraw/zinc/37/23/11/949372311.db2.gz ZRVUERQNDYOUCJ-MNOVXSKESA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1CCC[C@H](OCC(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154960 949374168 /nfs/dbraw/zinc/37/41/68/949374168.db2.gz SLTWWOQMRUGJOS-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574943369 949374850 /nfs/dbraw/zinc/37/48/50/949374850.db2.gz WSXAVCRKWMGIEW-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574460671 949375352 /nfs/dbraw/zinc/37/53/52/949375352.db2.gz WQYOZNFYVCTQEB-GFCCVEGCSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574460671 949375375 /nfs/dbraw/zinc/37/53/75/949375375.db2.gz WQYOZNFYVCTQEB-GFCCVEGCSA-N -1 1 385.432 0.584 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575263068 949381358 /nfs/dbraw/zinc/38/13/58/949381358.db2.gz DGZYXRPLLJEALE-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575263068 949381378 /nfs/dbraw/zinc/38/13/78/949381378.db2.gz DGZYXRPLLJEALE-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573800250 949391219 /nfs/dbraw/zinc/39/12/19/949391219.db2.gz VFQXXOXVBGZYNE-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573800250 949391237 /nfs/dbraw/zinc/39/12/37/949391237.db2.gz VFQXXOXVBGZYNE-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574463930 949393276 /nfs/dbraw/zinc/39/32/76/949393276.db2.gz BNOHQQSWZLDAPH-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574463930 949393296 /nfs/dbraw/zinc/39/32/96/949393296.db2.gz BNOHQQSWZLDAPH-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573802160 949411663 /nfs/dbraw/zinc/41/16/63/949411663.db2.gz FIESTQWZGFWIFQ-PHIMTYICSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573802160 949411674 /nfs/dbraw/zinc/41/16/74/949411674.db2.gz FIESTQWZGFWIFQ-PHIMTYICSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC001575533135 949412650 /nfs/dbraw/zinc/41/26/50/949412650.db2.gz DDZAGZBZSMGFJH-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC001575533135 949412666 /nfs/dbraw/zinc/41/26/66/949412666.db2.gz DDZAGZBZSMGFJH-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCN(C)C1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705321 949422352 /nfs/dbraw/zinc/42/23/52/949422352.db2.gz HVVMNQWFXUIPIU-RYUDHWBXSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCN(C)C1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705321 949422364 /nfs/dbraw/zinc/42/23/64/949422364.db2.gz HVVMNQWFXUIPIU-RYUDHWBXSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCCN(C)C1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705319 949422386 /nfs/dbraw/zinc/42/23/86/949422386.db2.gz HVVMNQWFXUIPIU-NEPJUHHUSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCCCN(C)C1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705319 949422398 /nfs/dbraw/zinc/42/23/98/949422398.db2.gz HVVMNQWFXUIPIU-NEPJUHHUSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn(C)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574946259 949428907 /nfs/dbraw/zinc/42/89/07/949428907.db2.gz UAGIXZAWYSPIRG-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn(C)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574946259 949428925 /nfs/dbraw/zinc/42/89/25/949428925.db2.gz UAGIXZAWYSPIRG-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573803256 949433925 /nfs/dbraw/zinc/43/39/25/949433925.db2.gz OXMVDRYCRRJTJO-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573803256 949433936 /nfs/dbraw/zinc/43/39/36/949433936.db2.gz OXMVDRYCRRJTJO-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC1=CC[C@](C)(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CC1 ZINC001575867453 949437613 /nfs/dbraw/zinc/43/76/13/949437613.db2.gz YPGZMUHSXNTVNE-VBHSOAQHSA-N -1 1 384.444 0.459 20 0 GCADMM CC1=CC[C@@](C)(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)CC1 ZINC001575867452 949438280 /nfs/dbraw/zinc/43/82/80/949438280.db2.gz YPGZMUHSXNTVNE-FHSNZYRGSA-N -1 1 384.444 0.459 20 0 GCADMM C[C@H](CNC(=O)Cc1ncc[nH]1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574946772 949438853 /nfs/dbraw/zinc/43/88/53/949438853.db2.gz YDDJQMWGLYQIJS-SSDOTTSWSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@H](CNC(=O)Cc1ncc[nH]1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574946772 949438864 /nfs/dbraw/zinc/43/88/64/949438864.db2.gz YDDJQMWGLYQIJS-SSDOTTSWSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574947106 949441768 /nfs/dbraw/zinc/44/17/68/949441768.db2.gz ZKBAZDGRAQMWLJ-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574947106 949441788 /nfs/dbraw/zinc/44/17/88/949441788.db2.gz ZKBAZDGRAQMWLJ-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573803501 949443003 /nfs/dbraw/zinc/44/30/03/949443003.db2.gz QLKLLMLPGSFGGD-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573803501 949443015 /nfs/dbraw/zinc/44/30/15/949443015.db2.gz QLKLLMLPGSFGGD-PHIMTYICSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573803405 949445472 /nfs/dbraw/zinc/44/54/72/949445472.db2.gz OFOVTLKKPNNDDF-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573803405 949445482 /nfs/dbraw/zinc/44/54/82/949445482.db2.gz OFOVTLKKPNNDDF-XYPYZODXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574467977 949446030 /nfs/dbraw/zinc/44/60/30/949446030.db2.gz BVAYDFYBEFKSEY-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574467977 949446044 /nfs/dbraw/zinc/44/60/44/949446044.db2.gz BVAYDFYBEFKSEY-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)[C@H]1C ZINC001576156552 949450330 /nfs/dbraw/zinc/45/03/30/949450330.db2.gz XCHBKOZYANLXIP-SCVCMEIPSA-N -1 1 376.421 0.253 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574947796 949451252 /nfs/dbraw/zinc/45/12/52/949451252.db2.gz DIEQMSGMWUHNAB-VIFPVBQESA-N -1 1 392.374 0.432 20 0 GCADMM CC(C)n1ncc(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nn2)c1Cl ZINC001574467998 949454904 /nfs/dbraw/zinc/45/49/04/949454904.db2.gz CQOVYYLAJXBJEC-UHFFFAOYSA-N -1 1 390.839 0.954 20 0 GCADMM CC(C)n1ncc(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nn2)c1Cl ZINC001574467998 949454918 /nfs/dbraw/zinc/45/49/18/949454918.db2.gz CQOVYYLAJXBJEC-UHFFFAOYSA-N -1 1 390.839 0.954 20 0 GCADMM C[C@H](CNC(=O)Cn1ccnc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574948394 949460734 /nfs/dbraw/zinc/46/07/34/949460734.db2.gz IMZWTAKTLJJKLH-MRVPVSSYSA-N -1 1 381.853 0.814 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001574468493 949464413 /nfs/dbraw/zinc/46/44/13/949464413.db2.gz MFAGYODLMQGTDK-VXGBXAGGSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574948553 949467593 /nfs/dbraw/zinc/46/75/93/949467593.db2.gz LCJBNALQWBSQHH-VIFPVBQESA-N -1 1 392.374 0.655 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574948553 949467609 /nfs/dbraw/zinc/46/76/09/949467609.db2.gz LCJBNALQWBSQHH-VIFPVBQESA-N -1 1 392.374 0.655 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574707200 949468176 /nfs/dbraw/zinc/46/81/76/949468176.db2.gz NXYWAMFDMLVZPP-WDEREUQCSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574707200 949468191 /nfs/dbraw/zinc/46/81/91/949468191.db2.gz NXYWAMFDMLVZPP-WDEREUQCSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNC(=O)Cn1ncc2cccnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574948805 949472325 /nfs/dbraw/zinc/47/23/25/949472325.db2.gz MRTKVHQEXLONHJ-JTQLQIEISA-N -1 1 379.388 0.018 20 0 GCADMM C[C@@H](CNC(=O)Cn1ncc2cccnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574948805 949472340 /nfs/dbraw/zinc/47/23/40/949472340.db2.gz MRTKVHQEXLONHJ-JTQLQIEISA-N -1 1 379.388 0.018 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574469812 949481482 /nfs/dbraw/zinc/48/14/82/949481482.db2.gz HETIZCOUISMBHS-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574469812 949481489 /nfs/dbraw/zinc/48/14/89/949481489.db2.gz HETIZCOUISMBHS-QGZVFWFLSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949028 949483128 /nfs/dbraw/zinc/48/31/28/949483128.db2.gz PTAPMUVZYFRJNS-SSDOTTSWSA-N -1 1 382.841 0.209 20 0 GCADMM C[C@H](CNC(=O)Cn1cncn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949028 949483143 /nfs/dbraw/zinc/48/31/43/949483143.db2.gz PTAPMUVZYFRJNS-SSDOTTSWSA-N -1 1 382.841 0.209 20 0 GCADMM CC(C)(C)C(=O)NCc1nc(CNc2nccnc2-c2nnn[n-]2)cc(=O)[nH]1 ZINC001573806240 949483894 /nfs/dbraw/zinc/48/38/94/949483894.db2.gz MRDPYPRDNMNCER-UHFFFAOYSA-N -1 1 384.404 0.427 20 0 GCADMM CC(C)(C)C(=O)NCc1nc(CNc2nccnc2-c2nn[n-]n2)cc(=O)[nH]1 ZINC001573806240 949483907 /nfs/dbraw/zinc/48/39/07/949483907.db2.gz MRDPYPRDNMNCER-UHFFFAOYSA-N -1 1 384.404 0.427 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001574469915 949485870 /nfs/dbraw/zinc/48/58/70/949485870.db2.gz JQCAXPXUWVHWTQ-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001574469915 949485884 /nfs/dbraw/zinc/48/58/84/949485884.db2.gz JQCAXPXUWVHWTQ-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574469861 949485917 /nfs/dbraw/zinc/48/59/17/949485917.db2.gz ITNJOPYJGAJGND-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574469861 949485930 /nfs/dbraw/zinc/48/59/30/949485930.db2.gz ITNJOPYJGAJGND-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574118275 949488188 /nfs/dbraw/zinc/48/81/88/949488188.db2.gz DCWFXIOYMBXWBL-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574118275 949488209 /nfs/dbraw/zinc/48/82/09/949488209.db2.gz DCWFXIOYMBXWBL-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574470115 949489190 /nfs/dbraw/zinc/48/91/90/949489190.db2.gz MKROYTZTGQEARS-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574470041 949489936 /nfs/dbraw/zinc/48/99/36/949489936.db2.gz LCKKBFCEELQEOS-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001574949617 949499153 /nfs/dbraw/zinc/49/91/53/949499153.db2.gz YRACZEKZIOPBSY-SECBINFHSA-N -1 1 392.374 0.655 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001574949617 949499169 /nfs/dbraw/zinc/49/91/69/949499169.db2.gz YRACZEKZIOPBSY-SECBINFHSA-N -1 1 392.374 0.655 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575537783 949501545 /nfs/dbraw/zinc/50/15/45/949501545.db2.gz XTBJEUFUTSBBMW-JLTOFOAXSA-N -1 1 390.451 0.996 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574119824 949502966 /nfs/dbraw/zinc/50/29/66/949502966.db2.gz KCQWAJACGXMWNL-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574119824 949502987 /nfs/dbraw/zinc/50/29/87/949502987.db2.gz KCQWAJACGXMWNL-NEPJUHHUSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574119827 949503903 /nfs/dbraw/zinc/50/39/03/949503903.db2.gz KCQWAJACGXMWNL-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574119827 949503923 /nfs/dbraw/zinc/50/39/23/949503923.db2.gz KCQWAJACGXMWNL-RYUDHWBXSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574120781 949509058 /nfs/dbraw/zinc/50/90/58/949509058.db2.gz MOLSZMMOGHWKGJ-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574120781 949509074 /nfs/dbraw/zinc/50/90/74/949509074.db2.gz MOLSZMMOGHWKGJ-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574470811 949514296 /nfs/dbraw/zinc/51/42/96/949514296.db2.gz USVCYXZZQDGYHI-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574470811 949514314 /nfs/dbraw/zinc/51/43/14/949514314.db2.gz USVCYXZZQDGYHI-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CCOC1 ZINC001575538212 949516410 /nfs/dbraw/zinc/51/64/10/949516410.db2.gz FBSBWAZKDHNUED-MSOLQXFVSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnon1 ZINC001576159369 949517989 /nfs/dbraw/zinc/51/79/89/949517989.db2.gz WVIWKJMNQYUNKE-QFYYESIMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnon1 ZINC001576159369 949518005 /nfs/dbraw/zinc/51/80/05/949518005.db2.gz WVIWKJMNQYUNKE-QFYYESIMSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575538640 949523023 /nfs/dbraw/zinc/52/30/23/949523023.db2.gz HYVHDUKJJQOZAJ-VBHSOAQHSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575538640 949523036 /nfs/dbraw/zinc/52/30/36/949523036.db2.gz HYVHDUKJJQOZAJ-VBHSOAQHSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710959 949523546 /nfs/dbraw/zinc/52/35/46/949523546.db2.gz COVSUKFSODPWHF-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710959 949523571 /nfs/dbraw/zinc/52/35/71/949523571.db2.gz COVSUKFSODPWHF-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574710958 949523728 /nfs/dbraw/zinc/52/37/28/949523728.db2.gz COVSUKFSODPWHF-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574710958 949523744 /nfs/dbraw/zinc/52/37/44/949523744.db2.gz COVSUKFSODPWHF-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574471142 949525491 /nfs/dbraw/zinc/52/54/91/949525491.db2.gz ZYSLLBYQWCWAKH-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574471142 949525505 /nfs/dbraw/zinc/52/55/05/949525505.db2.gz ZYSLLBYQWCWAKH-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cocn1 ZINC001576160060 949526580 /nfs/dbraw/zinc/52/65/80/949526580.db2.gz ZHJQCVBBUSZZGP-DIFFPNOSSA-N -1 1 383.416 0.857 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574123050 949536539 /nfs/dbraw/zinc/53/65/39/949536539.db2.gz CZIQZINHQJVIMC-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574123050 949536558 /nfs/dbraw/zinc/53/65/58/949536558.db2.gz CZIQZINHQJVIMC-HAQNSBGRSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@]1(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CCOC1 ZINC001575539262 949544276 /nfs/dbraw/zinc/54/42/76/949544276.db2.gz NHIUYBGHIOBPMD-ROUUACIJSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@]1(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CCOC1 ZINC001575539262 949544295 /nfs/dbraw/zinc/54/42/95/949544295.db2.gz NHIUYBGHIOBPMD-ROUUACIJSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574472342 949545851 /nfs/dbraw/zinc/54/58/51/949545851.db2.gz SOFOMZDUWVPPGL-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574472342 949545867 /nfs/dbraw/zinc/54/58/67/949545867.db2.gz SOFOMZDUWVPPGL-PNESKVBLSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576163895 949546063 /nfs/dbraw/zinc/54/60/63/949546063.db2.gz DGEGIRYCGNLLBZ-VXGBXAGGSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576163895 949546091 /nfs/dbraw/zinc/54/60/91/949546091.db2.gz DGEGIRYCGNLLBZ-VXGBXAGGSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711714 949550779 /nfs/dbraw/zinc/55/07/79/949550779.db2.gz KRNHHQPGUAITDS-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711714 949550795 /nfs/dbraw/zinc/55/07/95/949550795.db2.gz KRNHHQPGUAITDS-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CCOC1 ZINC001575539569 949552493 /nfs/dbraw/zinc/55/24/93/949552493.db2.gz QVOZVVBGQIDIPD-QZTJIDSGSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CCOC1 ZINC001575539569 949552507 /nfs/dbraw/zinc/55/25/07/949552507.db2.gz QVOZVVBGQIDIPD-QZTJIDSGSA-N -1 1 384.444 0.512 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](N(CCO)c3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001575539736 949556228 /nfs/dbraw/zinc/55/62/28/949556228.db2.gz SIRUJDJMHWINLH-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](N(CCO)c3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001575539736 949556243 /nfs/dbraw/zinc/55/62/43/949556243.db2.gz SIRUJDJMHWINLH-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575539735 949557337 /nfs/dbraw/zinc/55/73/37/949557337.db2.gz SHSLUIBRRQHLMP-UGSOOPFHSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574955103 949561569 /nfs/dbraw/zinc/56/15/69/949561569.db2.gz BFHNFIMZFSTXRP-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574955103 949561589 /nfs/dbraw/zinc/56/15/89/949561589.db2.gz BFHNFIMZFSTXRP-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872942 949563516 /nfs/dbraw/zinc/56/35/16/949563516.db2.gz MHNMDMLWCDVZFZ-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711914 949564159 /nfs/dbraw/zinc/56/41/59/949564159.db2.gz NXFMGTRPVXABPV-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711914 949564176 /nfs/dbraw/zinc/56/41/76/949564176.db2.gz NXFMGTRPVXABPV-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576165329 949568106 /nfs/dbraw/zinc/56/81/06/949568106.db2.gz JQDNGKOVYVVHSW-UKRRQHHQSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576165329 949568123 /nfs/dbraw/zinc/56/81/23/949568123.db2.gz JQDNGKOVYVVHSW-UKRRQHHQSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)NCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574124402 949569169 /nfs/dbraw/zinc/56/91/69/949569169.db2.gz GTYYDEZTRBVMBD-ZETCQYMHSA-N -1 1 386.869 0.652 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)NCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574124402 949569189 /nfs/dbraw/zinc/56/91/89/949569189.db2.gz GTYYDEZTRBVMBD-ZETCQYMHSA-N -1 1 386.869 0.652 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574124446 949569955 /nfs/dbraw/zinc/56/99/55/949569955.db2.gz IDXBLBWESCBYNB-NWDGAFQWSA-N -1 1 387.448 0.207 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574124446 949569972 /nfs/dbraw/zinc/56/99/72/949569972.db2.gz IDXBLBWESCBYNB-NWDGAFQWSA-N -1 1 387.448 0.207 20 0 GCADMM C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](C)NC(=O)CCCC(N)=O ZINC001575270062 949571390 /nfs/dbraw/zinc/57/13/90/949571390.db2.gz ANEXRBHLBBBXOM-NKWVEPMBSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](C)NC(=O)CCCC(N)=O ZINC001575270062 949571405 /nfs/dbraw/zinc/57/14/05/949571405.db2.gz ANEXRBHLBBBXOM-NKWVEPMBSA-N -1 1 386.869 0.937 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574124681 949576506 /nfs/dbraw/zinc/57/65/06/949576506.db2.gz JIZMYZQXTLFHQJ-RYUDHWBXSA-N -1 1 387.448 0.065 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574124681 949576523 /nfs/dbraw/zinc/57/65/23/949576523.db2.gz JIZMYZQXTLFHQJ-RYUDHWBXSA-N -1 1 387.448 0.065 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575270177 949577399 /nfs/dbraw/zinc/57/73/99/949577399.db2.gz BQCWABSGRIVGOZ-OLZOCXBDSA-N -1 1 388.476 0.981 20 0 GCADMM CC(C)C[C@H](C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574125467 949586106 /nfs/dbraw/zinc/58/61/06/949586106.db2.gz PUGIVZKFHBDJCA-CYBMUJFWSA-N -1 1 384.448 0.481 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574125479 949586945 /nfs/dbraw/zinc/58/69/45/949586945.db2.gz QFBZNZZKHCKRQZ-ZDUSSCGKSA-N -1 1 391.501 0.718 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574125246 949587699 /nfs/dbraw/zinc/58/76/99/949587699.db2.gz PBZAFBIOYMZJLE-QWRGUYRKSA-N -1 1 375.437 0.063 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574125246 949587710 /nfs/dbraw/zinc/58/77/10/949587710.db2.gz PBZAFBIOYMZJLE-QWRGUYRKSA-N -1 1 375.437 0.063 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1COCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574712880 949591444 /nfs/dbraw/zinc/59/14/44/949591444.db2.gz UWEBEGHWKSIBNO-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1COCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574712880 949591457 /nfs/dbraw/zinc/59/14/57/949591457.db2.gz UWEBEGHWKSIBNO-HTQZYQBOSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712940 949592508 /nfs/dbraw/zinc/59/25/08/949592508.db2.gz VJGWHOACFCFUQL-WCQYABFASA-N -1 1 379.428 0.147 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873946 949594835 /nfs/dbraw/zinc/59/48/35/949594835.db2.gz CSLMYJJNDOSWKF-QWHCGFSZSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@]1(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575545262 949597991 /nfs/dbraw/zinc/59/79/91/949597991.db2.gz JQKCSRWXPYOBGL-UGSOOPFHSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713449 949605298 /nfs/dbraw/zinc/60/52/98/949605298.db2.gz XNMCHCWDVUHBGD-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574127402 949613039 /nfs/dbraw/zinc/61/30/39/949613039.db2.gz HCQKHAYFSJOGKZ-OCCSQVGLSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574127402 949613054 /nfs/dbraw/zinc/61/30/54/949613054.db2.gz HCQKHAYFSJOGKZ-OCCSQVGLSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167882 949616270 /nfs/dbraw/zinc/61/62/70/949616270.db2.gz AAJRNSGLYHYUEZ-RISCZKNCSA-N -1 1 382.432 0.662 20 0 GCADMM CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574127793 949619824 /nfs/dbraw/zinc/61/98/24/949619824.db2.gz KGKHYLUFHFOUCD-ZDUSSCGKSA-N -1 1 388.476 0.790 20 0 GCADMM CC1(C(=O)N2CCN([C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)CC2)CC1 ZINC001575547575 949630247 /nfs/dbraw/zinc/63/02/47/949630247.db2.gz AQSDYCVSLNCRSX-ZDUSSCGKSA-N -1 1 383.460 0.180 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574477064 949637356 /nfs/dbraw/zinc/63/73/56/949637356.db2.gz OLTHOOIGYLVRLW-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574477064 949637367 /nfs/dbraw/zinc/63/73/67/949637367.db2.gz OLTHOOIGYLVRLW-ZDUSSCGKSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715104 949641610 /nfs/dbraw/zinc/64/16/10/949641610.db2.gz BAKPPAAFRLTBJG-CHWSQXEVSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715105 949643237 /nfs/dbraw/zinc/64/32/37/949643237.db2.gz BAKPPAAFRLTBJG-OLZOCXBDSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876616 949645091 /nfs/dbraw/zinc/64/50/91/949645091.db2.gz JXOOHRKSWVYXNT-DGCLKSJQSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876616 949645100 /nfs/dbraw/zinc/64/51/00/949645100.db2.gz JXOOHRKSWVYXNT-DGCLKSJQSA-N -1 1 383.416 0.751 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cccn1 ZINC001573815118 949647727 /nfs/dbraw/zinc/64/77/27/949647727.db2.gz GKSOFHVUZKXLLJ-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cccn1 ZINC001573815118 949647744 /nfs/dbraw/zinc/64/77/44/949647744.db2.gz GKSOFHVUZKXLLJ-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576168874 949654062 /nfs/dbraw/zinc/65/40/62/949654062.db2.gz CTUCCXJETRTPPM-YPMHNXCESA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576168874 949654071 /nfs/dbraw/zinc/65/40/71/949654071.db2.gz CTUCCXJETRTPPM-YPMHNXCESA-N -1 1 383.416 0.926 20 0 GCADMM CC1(C(=O)N2CCOC3(CCN(c4ccnc(-c5nn[n-]n5)n4)CC3)C2)CC1 ZINC001575548184 949661471 /nfs/dbraw/zinc/66/14/71/949661471.db2.gz TUMQYVXLHDWYHX-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574477538 949661517 /nfs/dbraw/zinc/66/15/17/949661517.db2.gz SAWQZPVHAOFOKH-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574477538 949661528 /nfs/dbraw/zinc/66/15/28/949661528.db2.gz SAWQZPVHAOFOKH-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169055 949662225 /nfs/dbraw/zinc/66/22/25/949662225.db2.gz DPZPPFVPRAFLBZ-JSGCOSHPSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169055 949662237 /nfs/dbraw/zinc/66/22/37/949662237.db2.gz DPZPPFVPRAFLBZ-JSGCOSHPSA-N -1 1 382.432 0.592 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573815967 949665136 /nfs/dbraw/zinc/66/51/36/949665136.db2.gz MZEBGYCAACQGSA-MGPLVRAMSA-N -1 1 378.412 0.150 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273322 949665618 /nfs/dbraw/zinc/66/56/18/949665618.db2.gz WBCQBFXJMGARNI-GHMZBOCLSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273322 949665632 /nfs/dbraw/zinc/66/56/32/949665632.db2.gz WBCQBFXJMGARNI-GHMZBOCLSA-N -1 1 375.437 0.220 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169127 949666732 /nfs/dbraw/zinc/66/67/32/949666732.db2.gz FNHYEPQDHXHORX-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169127 949666745 /nfs/dbraw/zinc/66/67/45/949666745.db2.gz FNHYEPQDHXHORX-FZMZJTMJSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574958421 949670557 /nfs/dbraw/zinc/67/05/57/949670557.db2.gz JIOWPTSJYPOTHH-IJLUTSLNSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCOCC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877756 949671944 /nfs/dbraw/zinc/67/19/44/949671944.db2.gz MUHRPZWGALZVTH-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCOCC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877756 949671951 /nfs/dbraw/zinc/67/19/51/949671951.db2.gz MUHRPZWGALZVTH-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878199 949674688 /nfs/dbraw/zinc/67/46/88/949674688.db2.gz NWFOWLBHSQZZKF-DGCLKSJQSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878199 949674701 /nfs/dbraw/zinc/67/47/01/949674701.db2.gz NWFOWLBHSQZZKF-DGCLKSJQSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001574477777 949675072 /nfs/dbraw/zinc/67/50/72/949675072.db2.gz RKKDCKLNBCSSNX-QWHCGFSZSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001574477777 949675082 /nfs/dbraw/zinc/67/50/82/949675082.db2.gz RKKDCKLNBCSSNX-QWHCGFSZSA-N -1 1 390.448 0.095 20 0 GCADMM CC1(C(=O)N2CCOC3(CCN(c4cncc(-c5nnn[n-]5)n4)CC3)C2)CC1 ZINC001575548381 949675254 /nfs/dbraw/zinc/67/52/54/949675254.db2.gz ZAQRDACNBMPLSS-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CCOC3(CCN(c4cncc(-c5nn[n-]n5)n4)CC3)C2)CC1 ZINC001575548381 949675268 /nfs/dbraw/zinc/67/52/68/949675268.db2.gz ZAQRDACNBMPLSS-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878241 949677475 /nfs/dbraw/zinc/67/74/75/949677475.db2.gz ODRFQUCXAJISML-AAEUAGOBSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878241 949677488 /nfs/dbraw/zinc/67/74/88/949677488.db2.gz ODRFQUCXAJISML-AAEUAGOBSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169694 949690342 /nfs/dbraw/zinc/69/03/42/949690342.db2.gz HUHPBBIWSIJAGU-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169694 949690364 /nfs/dbraw/zinc/69/03/64/949690364.db2.gz HUHPBBIWSIJAGU-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573816911 949691122 /nfs/dbraw/zinc/69/11/22/949691122.db2.gz VLSOJQGGFKQWFN-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573816911 949691135 /nfs/dbraw/zinc/69/11/35/949691135.db2.gz VLSOJQGGFKQWFN-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CCOCC1 ZINC001575554309 949692394 /nfs/dbraw/zinc/69/23/94/949692394.db2.gz RHODCKUQCZLYJY-BETUJISGSA-N -1 1 384.444 0.368 20 0 GCADMM CC1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CCOCC1 ZINC001575554309 949692407 /nfs/dbraw/zinc/69/24/07/949692407.db2.gz RHODCKUQCZLYJY-BETUJISGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880624 949701982 /nfs/dbraw/zinc/70/19/82/949701982.db2.gz VAAUMNYAACKHHJ-GXTWGEPZSA-N -1 1 379.428 0.768 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574478321 949703454 /nfs/dbraw/zinc/70/34/54/949703454.db2.gz YNLBMHDDATUUQN-RYUDHWBXSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574478321 949703463 /nfs/dbraw/zinc/70/34/63/949703463.db2.gz YNLBMHDDATUUQN-RYUDHWBXSA-N -1 1 386.416 0.675 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573818040 949713264 /nfs/dbraw/zinc/71/32/64/949713264.db2.gz FIBKNOOMKAUSMZ-JQWIXIFHSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573818040 949713280 /nfs/dbraw/zinc/71/32/80/949713280.db2.gz FIBKNOOMKAUSMZ-JQWIXIFHSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@]1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)CCOC1 ZINC001575557378 949723940 /nfs/dbraw/zinc/72/39/40/949723940.db2.gz INBZSCHQPLUXNI-ACJLOTCBSA-N -1 1 386.460 0.592 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573818693 949739169 /nfs/dbraw/zinc/73/91/69/949739169.db2.gz OIDHADYDOIPGEI-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573818693 949739180 /nfs/dbraw/zinc/73/91/80/949739180.db2.gz OIDHADYDOIPGEI-BDJLRTHQSA-N -1 1 378.412 0.728 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574962540 949741025 /nfs/dbraw/zinc/74/10/25/949741025.db2.gz BFHNFIMZFSTXRP-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574962540 949741042 /nfs/dbraw/zinc/74/10/42/949741042.db2.gz BFHNFIMZFSTXRP-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H]1CCCC[C@H]1CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576170836 949742412 /nfs/dbraw/zinc/74/24/12/949742412.db2.gz NQCJOJNOFJQPTI-RYUDHWBXSA-N -1 1 375.433 0.852 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CN1CCCC1=O ZINC001573818960 949744606 /nfs/dbraw/zinc/74/46/06/949744606.db2.gz PRINOEXKUZELIE-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CN1CCCC1=O ZINC001573818960 949744618 /nfs/dbraw/zinc/74/46/18/949744618.db2.gz PRINOEXKUZELIE-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCC(F)CC1 ZINC001575277176 949745162 /nfs/dbraw/zinc/74/51/62/949745162.db2.gz OLJVHKKPDSSMMI-WHXUTIOJSA-N -1 1 379.396 0.552 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573819290 949750127 /nfs/dbraw/zinc/75/01/27/949750127.db2.gz SKKUIZXNOFDCFJ-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573819290 949750137 /nfs/dbraw/zinc/75/01/37/949750137.db2.gz SKKUIZXNOFDCFJ-ZYHUDNBSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573819274 949751235 /nfs/dbraw/zinc/75/12/35/949751235.db2.gz SFZWTMMWRJTZKY-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573819274 949751247 /nfs/dbraw/zinc/75/12/47/949751247.db2.gz SFZWTMMWRJTZKY-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574480445 949751626 /nfs/dbraw/zinc/75/16/26/949751626.db2.gz ILYRGNXNANQZRU-OCCSQVGLSA-N -1 1 379.428 0.680 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882162 949756790 /nfs/dbraw/zinc/75/67/90/949756790.db2.gz HDEPXXCWZAPJOC-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882162 949756812 /nfs/dbraw/zinc/75/68/12/949756812.db2.gz HDEPXXCWZAPJOC-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573819785 949760849 /nfs/dbraw/zinc/76/08/49/949760849.db2.gz VDNCSLXXWDEEFP-PWSUYJOCSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573819785 949760858 /nfs/dbraw/zinc/76/08/58/949760858.db2.gz VDNCSLXXWDEEFP-PWSUYJOCSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574481228 949774314 /nfs/dbraw/zinc/77/43/14/949774314.db2.gz NLYFOYKNNLSFHA-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574481228 949774330 /nfs/dbraw/zinc/77/43/30/949774330.db2.gz NLYFOYKNNLSFHA-XIKOKIGWSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718369 949776110 /nfs/dbraw/zinc/77/61/10/949776110.db2.gz VQDWIOBSQOCSQW-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718369 949776132 /nfs/dbraw/zinc/77/61/32/949776132.db2.gz VQDWIOBSQOCSQW-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171799 949779831 /nfs/dbraw/zinc/77/98/31/949779831.db2.gz SLINXXXZEACZLB-TZMCWYRMSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575279524 949783095 /nfs/dbraw/zinc/78/30/95/949783095.db2.gz YMNXEIFHBLWSFM-VXGBXAGGSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@@H](NC(=O)CCOC1CCOCC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575279524 949783113 /nfs/dbraw/zinc/78/31/13/949783113.db2.gz YMNXEIFHBLWSFM-VXGBXAGGSA-N -1 1 390.448 0.548 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574481515 949784206 /nfs/dbraw/zinc/78/42/06/949784206.db2.gz QQXQKKVQRXAEEQ-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574481515 949784217 /nfs/dbraw/zinc/78/42/17/949784217.db2.gz QQXQKKVQRXAEEQ-KZULUSFZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574964755 949786070 /nfs/dbraw/zinc/78/60/70/949786070.db2.gz ZXFBVXSJEBUIEX-RNFRBKRXSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574964755 949786086 /nfs/dbraw/zinc/78/60/86/949786086.db2.gz ZXFBVXSJEBUIEX-RNFRBKRXSA-N -1 1 384.853 0.419 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574964647 949788035 /nfs/dbraw/zinc/78/80/35/949788035.db2.gz ZEPGSGRGSCGEIZ-NKWVEPMBSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574481583 949788547 /nfs/dbraw/zinc/78/85/47/949788547.db2.gz RSMDADWNKXOBKC-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574481583 949788563 /nfs/dbraw/zinc/78/85/63/949788563.db2.gz RSMDADWNKXOBKC-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574964880 949790829 /nfs/dbraw/zinc/79/08/29/949790829.db2.gz BDVRDEQXUBJCDG-UANNBLPKSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574964880 949790844 /nfs/dbraw/zinc/79/08/44/949790844.db2.gz BDVRDEQXUBJCDG-UANNBLPKSA-N -1 1 384.853 0.562 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574138690 949796142 /nfs/dbraw/zinc/79/61/42/949796142.db2.gz FGGDYDDRVZGXNV-ACJLOTCBSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574138690 949796161 /nfs/dbraw/zinc/79/61/61/949796161.db2.gz FGGDYDDRVZGXNV-ACJLOTCBSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)CCOC1 ZINC001575560818 949797046 /nfs/dbraw/zinc/79/70/46/949797046.db2.gz VCLAAWIWADZBQR-SJCJKPOMSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)CCOC1 ZINC001575560818 949797064 /nfs/dbraw/zinc/79/70/64/949797064.db2.gz VCLAAWIWADZBQR-SJCJKPOMSA-N -1 1 384.444 0.558 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575281091 949796981 /nfs/dbraw/zinc/79/69/81/949796981.db2.gz CWFMKTHZROJNMQ-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575281091 949797004 /nfs/dbraw/zinc/79/70/04/949797004.db2.gz CWFMKTHZROJNMQ-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882886 949797011 /nfs/dbraw/zinc/79/70/11/949797011.db2.gz ORYXXQCOHCFBIY-JQWIXIFHSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720637 949799795 /nfs/dbraw/zinc/79/97/95/949799795.db2.gz FBSYGMYRSKIBOO-ZDUSSCGKSA-N -1 1 381.444 0.755 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575561544 949808391 /nfs/dbraw/zinc/80/83/91/949808391.db2.gz BDKOBLVTDOKMIZ-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575561544 949808417 /nfs/dbraw/zinc/80/84/17/949808417.db2.gz BDKOBLVTDOKMIZ-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574965745 949809328 /nfs/dbraw/zinc/80/93/28/949809328.db2.gz KVLPHLLWECTGRD-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574965745 949809350 /nfs/dbraw/zinc/80/93/50/949809350.db2.gz KVLPHLLWECTGRD-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575561892 949817844 /nfs/dbraw/zinc/81/78/44/949817844.db2.gz DKJJBAJNRNLNFE-CHWSQXEVSA-N -1 1 386.460 0.592 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574139570 949819168 /nfs/dbraw/zinc/81/91/68/949819168.db2.gz KQXWDAPJRUWADI-UGSOOPFHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574139570 949819184 /nfs/dbraw/zinc/81/91/84/949819184.db2.gz KQXWDAPJRUWADI-UGSOOPFHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574139557 949820784 /nfs/dbraw/zinc/82/07/84/949820784.db2.gz KNDILIQNWIAYOT-ACJLOTCBSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574139557 949820806 /nfs/dbraw/zinc/82/08/06/949820806.db2.gz KNDILIQNWIAYOT-ACJLOTCBSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575281894 949821873 /nfs/dbraw/zinc/82/18/73/949821873.db2.gz HVHLVXNRTCBRTK-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575281894 949821893 /nfs/dbraw/zinc/82/18/93/949821893.db2.gz HVHLVXNRTCBRTK-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172836 949822644 /nfs/dbraw/zinc/82/26/44/949822644.db2.gz YOCZDPGAOPTHPH-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172836 949822665 /nfs/dbraw/zinc/82/26/65/949822665.db2.gz YOCZDPGAOPTHPH-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172837 949823018 /nfs/dbraw/zinc/82/30/18/949823018.db2.gz YOCZDPGAOPTHPH-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172837 949823038 /nfs/dbraw/zinc/82/30/38/949823038.db2.gz YOCZDPGAOPTHPH-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574721859 949824702 /nfs/dbraw/zinc/82/47/02/949824702.db2.gz ONJREGLOMFKEJZ-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574721859 949824719 /nfs/dbraw/zinc/82/47/19/949824719.db2.gz ONJREGLOMFKEJZ-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574965923 949830229 /nfs/dbraw/zinc/83/02/29/949830229.db2.gz OUYZUUVHALVLSC-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574965923 949830256 /nfs/dbraw/zinc/83/02/56/949830256.db2.gz OUYZUUVHALVLSC-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574966408 949848213 /nfs/dbraw/zinc/84/82/13/949848213.db2.gz YOGVNMSSYKDHAL-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574966408 949848241 /nfs/dbraw/zinc/84/82/41/949848241.db2.gz YOGVNMSSYKDHAL-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574966488 949849659 /nfs/dbraw/zinc/84/96/59/949849659.db2.gz ZLTNTBZRWMVAIC-ZETCQYMHSA-N -1 1 378.318 0.726 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574484128 949856928 /nfs/dbraw/zinc/85/69/28/949856928.db2.gz VYWPZUSQYQTWNB-YPMHNXCESA-N -1 1 382.432 0.019 20 0 GCADMM C[C@@H](CNC(=O)c1c2ccccc2nn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574966915 949862766 /nfs/dbraw/zinc/86/27/66/949862766.db2.gz CPOINOPNTVYMFM-JTQLQIEISA-N -1 1 378.400 0.774 20 0 GCADMM C[C@@H](CNC(=O)c1c2ccccc2nn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574966915 949862787 /nfs/dbraw/zinc/86/27/87/949862787.db2.gz CPOINOPNTVYMFM-JTQLQIEISA-N -1 1 378.400 0.774 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574724056 949865047 /nfs/dbraw/zinc/86/50/47/949865047.db2.gz FBNWUQRNZVKYHI-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574724056 949865067 /nfs/dbraw/zinc/86/50/67/949865067.db2.gz FBNWUQRNZVKYHI-GFCCVEGCSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575885526 949866534 /nfs/dbraw/zinc/86/65/34/949866534.db2.gz WYXDWHMLYJUMCT-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575885526 949866557 /nfs/dbraw/zinc/86/65/57/949866557.db2.gz WYXDWHMLYJUMCT-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3cncc(-c4nnn[n-]4)n3)(C1)C2 ZINC001573825243 949867858 /nfs/dbraw/zinc/86/78/58/949867858.db2.gz ODKSRPAXBRZWDA-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3cncc(-c4nn[n-]n4)n3)(C1)C2 ZINC001573825243 949867876 /nfs/dbraw/zinc/86/78/76/949867876.db2.gz ODKSRPAXBRZWDA-IPPDQLOFSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177999 949868706 /nfs/dbraw/zinc/86/87/06/949868706.db2.gz AITMVEFHYBWSNW-DGCLKSJQSA-N -1 1 380.416 0.221 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001574484293 949875311 /nfs/dbraw/zinc/87/53/11/949875311.db2.gz XZGPDKBKBXEOOF-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001574484293 949875330 /nfs/dbraw/zinc/87/53/30/949875330.db2.gz XZGPDKBKBXEOOF-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575565297 949875509 /nfs/dbraw/zinc/87/55/09/949875509.db2.gz VNQBWNURIHELGD-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575565297 949875533 /nfs/dbraw/zinc/87/55/33/949875533.db2.gz VNQBWNURIHELGD-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575565296 949875641 /nfs/dbraw/zinc/87/56/41/949875641.db2.gz VNQBWNURIHELGD-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575565296 949875662 /nfs/dbraw/zinc/87/56/62/949875662.db2.gz VNQBWNURIHELGD-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178015 949876043 /nfs/dbraw/zinc/87/60/43/949876043.db2.gz AMJYELFXAQJVCZ-YPMHNXCESA-N -1 1 383.416 0.810 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178252 949882394 /nfs/dbraw/zinc/88/23/94/949882394.db2.gz GWYGUVJCZKYMTK-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178252 949882415 /nfs/dbraw/zinc/88/24/15/949882415.db2.gz GWYGUVJCZKYMTK-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575283901 949885387 /nfs/dbraw/zinc/88/53/87/949885387.db2.gz QZRRWWROIQJDIA-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575283901 949885419 /nfs/dbraw/zinc/88/54/19/949885419.db2.gz QZRRWWROIQJDIA-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178443 949886484 /nfs/dbraw/zinc/88/64/84/949886484.db2.gz BJYZFRPYGGXNNG-WCQYABFASA-N -1 1 380.416 0.221 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574968161 949886637 /nfs/dbraw/zinc/88/66/37/949886637.db2.gz MQOLOCGIAZYOPU-SNVBAGLBSA-N -1 1 382.432 0.357 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574968161 949886651 /nfs/dbraw/zinc/88/66/51/949886651.db2.gz MQOLOCGIAZYOPU-SNVBAGLBSA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574484607 949887134 /nfs/dbraw/zinc/88/71/34/949887134.db2.gz KUXFCOQZFNFVQL-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574484607 949887149 /nfs/dbraw/zinc/88/71/49/949887149.db2.gz KUXFCOQZFNFVQL-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178440 949889739 /nfs/dbraw/zinc/88/97/39/949889739.db2.gz BJYZFRPYGGXNNG-DGCLKSJQSA-N -1 1 380.416 0.221 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178554 949891248 /nfs/dbraw/zinc/89/12/48/949891248.db2.gz CDWKKNWCNJFALV-VXGBXAGGSA-N -1 1 383.416 0.810 20 0 GCADMM C[C@@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575284007 949891954 /nfs/dbraw/zinc/89/19/54/949891954.db2.gz SLFDSXTUWDIGPO-WDEREUQCSA-N -1 1 386.391 0.602 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574484660 949895830 /nfs/dbraw/zinc/89/58/30/949895830.db2.gz LLIMGBDLCRBXQL-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574484660 949895842 /nfs/dbraw/zinc/89/58/42/949895842.db2.gz LLIMGBDLCRBXQL-STQMWFEESA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574968389 949897214 /nfs/dbraw/zinc/89/72/14/949897214.db2.gz OVSXBSGCTHCHQC-SNVBAGLBSA-N -1 1 382.432 0.134 20 0 GCADMM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574968389 949897236 /nfs/dbraw/zinc/89/72/36/949897236.db2.gz OVSXBSGCTHCHQC-SNVBAGLBSA-N -1 1 382.432 0.134 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178798 949899761 /nfs/dbraw/zinc/89/97/61/949899761.db2.gz CVJCNQIDKTVHLV-GXSJLCMTSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178798 949899786 /nfs/dbraw/zinc/89/97/86/949899786.db2.gz CVJCNQIDKTVHLV-GXSJLCMTSA-N -1 1 386.445 0.861 20 0 GCADMM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573826036 949900571 /nfs/dbraw/zinc/90/05/71/949900571.db2.gz FISCNLRJJWDRSX-VXGBXAGGSA-N -1 1 375.433 0.850 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574484721 949900746 /nfs/dbraw/zinc/90/07/46/949900746.db2.gz MOXFPVFHECSIBR-CHWSQXEVSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574725641 949904133 /nfs/dbraw/zinc/90/41/33/949904133.db2.gz UQHXQWWQNNDZBA-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574725641 949904146 /nfs/dbraw/zinc/90/41/46/949904146.db2.gz UQHXQWWQNNDZBA-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179087 949907022 /nfs/dbraw/zinc/90/70/22/949907022.db2.gz DOCIBFIGMQYVED-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179087 949907041 /nfs/dbraw/zinc/90/70/41/949907041.db2.gz DOCIBFIGMQYVED-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179026 949907076 /nfs/dbraw/zinc/90/70/76/949907076.db2.gz DIIUSRAVCIFNAD-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179026 949907086 /nfs/dbraw/zinc/90/70/86/949907086.db2.gz DIIUSRAVCIFNAD-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179014 949907380 /nfs/dbraw/zinc/90/73/80/949907380.db2.gz DIEPFBRLXUBPQY-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179014 949907395 /nfs/dbraw/zinc/90/73/95/949907395.db2.gz DIEPFBRLXUBPQY-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575284574 949910672 /nfs/dbraw/zinc/91/06/72/949910672.db2.gz JQLHJMHBSLEBDO-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575284574 949910688 /nfs/dbraw/zinc/91/06/88/949910688.db2.gz JQLHJMHBSLEBDO-WDEREUQCSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284571 949910988 /nfs/dbraw/zinc/91/09/88/949910988.db2.gz JQLHJMHBSLEBDO-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284571 949911004 /nfs/dbraw/zinc/91/10/04/949911004.db2.gz JQLHJMHBSLEBDO-GHMZBOCLSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574484876 949911989 /nfs/dbraw/zinc/91/19/89/949911989.db2.gz QKENAGAGUGFBRF-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574484876 949912003 /nfs/dbraw/zinc/91/20/03/949912003.db2.gz QKENAGAGUGFBRF-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574725873 949912471 /nfs/dbraw/zinc/91/24/71/949912471.db2.gz CVYAERGFYVNUSN-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574725873 949912483 /nfs/dbraw/zinc/91/24/83/949912483.db2.gz CVYAERGFYVNUSN-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574485221 949919407 /nfs/dbraw/zinc/91/94/07/949919407.db2.gz VIGRYFNYMNJSDE-KGLIPLIRSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)N(C)CCNc3cnc(-c4nnn[n-]4)cn3)n21 ZINC001576179409 949919556 /nfs/dbraw/zinc/91/95/56/949919556.db2.gz LEZHXTATPPGGCQ-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)N(C)CCNc3cnc(-c4nn[n-]n4)cn3)n21 ZINC001576179409 949919576 /nfs/dbraw/zinc/91/95/76/949919576.db2.gz LEZHXTATPPGGCQ-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@H]2O)CC1 ZINC001575569541 949920782 /nfs/dbraw/zinc/92/07/82/949920782.db2.gz KUGBCBPHMACJFF-SFYZADRCSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@H]2O)CC1 ZINC001575569541 949920805 /nfs/dbraw/zinc/92/08/05/949920805.db2.gz KUGBCBPHMACJFF-SFYZADRCSA-N -1 1 383.865 0.833 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574487628 949930621 /nfs/dbraw/zinc/93/06/21/949930621.db2.gz AOFLDUFWJAJEHG-MBNYWOFBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574487628 949930646 /nfs/dbraw/zinc/93/06/46/949930646.db2.gz AOFLDUFWJAJEHG-MBNYWOFBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CCOC1 ZINC001575570186 949932839 /nfs/dbraw/zinc/93/28/39/949932839.db2.gz QDGIPLQKTUZMQG-ACJLOTCBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CCOC1 ZINC001575570186 949932857 /nfs/dbraw/zinc/93/28/57/949932857.db2.gz QDGIPLQKTUZMQG-ACJLOTCBSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CCOC1 ZINC001575570189 949933434 /nfs/dbraw/zinc/93/34/34/949933434.db2.gz QDGIPLQKTUZMQG-FZKQIMNGSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CCOC1 ZINC001575570189 949933449 /nfs/dbraw/zinc/93/34/49/949933449.db2.gz QDGIPLQKTUZMQG-FZKQIMNGSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180070 949935831 /nfs/dbraw/zinc/93/58/31/949935831.db2.gz HDAHPHWWOBSYTH-NWDGAFQWSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180070 949935854 /nfs/dbraw/zinc/93/58/54/949935854.db2.gz HDAHPHWWOBSYTH-NWDGAFQWSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575285133 949936005 /nfs/dbraw/zinc/93/60/05/949936005.db2.gz ZBTHFHZJXXCVCO-MNOVXSKESA-N -1 1 386.391 0.602 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574487702 949936012 /nfs/dbraw/zinc/93/60/12/949936012.db2.gz BFAPRRXSOZAZOV-JHJVBQTASA-N -1 1 382.432 0.185 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574488086 949942809 /nfs/dbraw/zinc/94/28/09/949942809.db2.gz DHOLOMMTRILTKA-JHJVBQTASA-N -1 1 382.432 0.185 20 0 GCADMM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180197 949946502 /nfs/dbraw/zinc/94/65/02/949946502.db2.gz NLYADKYROBHTBU-CMPLNLGQSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726922 949948896 /nfs/dbraw/zinc/94/88/96/949948896.db2.gz MMGKBWVXSJRNNA-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726922 949948903 /nfs/dbraw/zinc/94/89/03/949948903.db2.gz MMGKBWVXSJRNNA-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574488444 949951269 /nfs/dbraw/zinc/95/12/69/949951269.db2.gz GFRADVRQLVGJDK-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574488444 949951289 /nfs/dbraw/zinc/95/12/89/949951289.db2.gz GFRADVRQLVGJDK-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180536 949962271 /nfs/dbraw/zinc/96/22/71/949962271.db2.gz OUYQBHGEXHNFPX-CABZTGNLSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180536 949962285 /nfs/dbraw/zinc/96/22/85/949962285.db2.gz OUYQBHGEXHNFPX-CABZTGNLSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180509 949962464 /nfs/dbraw/zinc/96/24/64/949962464.db2.gz DTFUXFADBWCFCH-NWDGAFQWSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180509 949962481 /nfs/dbraw/zinc/96/24/81/949962481.db2.gz DTFUXFADBWCFCH-NWDGAFQWSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1ccnc1 ZINC001574489632 949963796 /nfs/dbraw/zinc/96/37/96/949963796.db2.gz JYJBJVCOGNMIQD-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574489632 949963826 /nfs/dbraw/zinc/96/38/26/949963826.db2.gz JYJBJVCOGNMIQD-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](CO)Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCOC1 ZINC001575571951 949964141 /nfs/dbraw/zinc/96/41/41/949964141.db2.gz BQFOSWJXBGFOGK-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](CO)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCOC1 ZINC001575571951 949964159 /nfs/dbraw/zinc/96/41/59/949964159.db2.gz BQFOSWJXBGFOGK-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574727481 949965419 /nfs/dbraw/zinc/96/54/19/949965419.db2.gz UDCKPQZATOIICK-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574727481 949965434 /nfs/dbraw/zinc/96/54/34/949965434.db2.gz UDCKPQZATOIICK-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1NC(=O)C1(C)CCOCC1 ZINC001575572096 949971173 /nfs/dbraw/zinc/97/11/73/949971173.db2.gz CZYOBTBUBIOGPR-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1NC(=O)C1(C)CCOCC1 ZINC001575572096 949971190 /nfs/dbraw/zinc/97/11/90/949971190.db2.gz CZYOBTBUBIOGPR-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575286256 949973117 /nfs/dbraw/zinc/97/31/17/949973117.db2.gz VAROEHJHYAMFHA-NWDGAFQWSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575286256 949973131 /nfs/dbraw/zinc/97/31/31/949973131.db2.gz VAROEHJHYAMFHA-NWDGAFQWSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575286174 949975072 /nfs/dbraw/zinc/97/50/72/949975072.db2.gz UBMUJFRQJKIDPV-VXGBXAGGSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575286174 949975090 /nfs/dbraw/zinc/97/50/90/949975090.db2.gz UBMUJFRQJKIDPV-VXGBXAGGSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575286395 949978905 /nfs/dbraw/zinc/97/89/05/949978905.db2.gz VVJBKDPKTKUUQN-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575286395 949978928 /nfs/dbraw/zinc/97/89/28/949978928.db2.gz VVJBKDPKTKUUQN-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181016 949984096 /nfs/dbraw/zinc/98/40/96/949984096.db2.gz RDPYXKZNPIRWLV-ZYHUDNBSSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181016 949984117 /nfs/dbraw/zinc/98/41/17/949984117.db2.gz RDPYXKZNPIRWLV-ZYHUDNBSSA-N -1 1 383.420 0.518 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575572977 949990160 /nfs/dbraw/zinc/99/01/60/949990160.db2.gz KASONOQYTSNORJ-ACJLOTCBSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575572977 949990184 /nfs/dbraw/zinc/99/01/84/949990184.db2.gz KASONOQYTSNORJ-ACJLOTCBSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574728522 949990386 /nfs/dbraw/zinc/99/03/86/949990386.db2.gz BQIOJNGEHQQEND-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574728522 949990400 /nfs/dbraw/zinc/99/04/00/949990400.db2.gz BQIOJNGEHQQEND-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574728494 949992415 /nfs/dbraw/zinc/99/24/15/949992415.db2.gz BKEQVQPQTNGXGJ-SNVBAGLBSA-N -1 1 388.382 0.858 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181289 949997350 /nfs/dbraw/zinc/99/73/50/949997350.db2.gz LMHHUONWOKWKOX-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181289 949997371 /nfs/dbraw/zinc/99/73/71/949997371.db2.gz LMHHUONWOKWKOX-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891351 949998481 /nfs/dbraw/zinc/99/84/81/949998481.db2.gz IRQKRKMEUJCDEY-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891351 949998494 /nfs/dbraw/zinc/99/84/94/949998494.db2.gz IRQKRKMEUJCDEY-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181344 949999611 /nfs/dbraw/zinc/99/96/11/949999611.db2.gz TXFFEEOOJIOCDF-ZYHUDNBSSA-N -1 1 385.457 0.888 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181341 950000328 /nfs/dbraw/zinc/00/03/28/950000328.db2.gz TXFFEEOOJIOCDF-PWSUYJOCSA-N -1 1 385.457 0.888 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573833683 950006819 /nfs/dbraw/zinc/00/68/19/950006819.db2.gz BTMWOPIILVMIHA-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573833683 950006842 /nfs/dbraw/zinc/00/68/42/950006842.db2.gz BTMWOPIILVMIHA-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181456 950008279 /nfs/dbraw/zinc/00/82/79/950008279.db2.gz UPZKOPKEDYWUMY-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181456 950008300 /nfs/dbraw/zinc/00/83/00/950008300.db2.gz UPZKOPKEDYWUMY-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181601 950011666 /nfs/dbraw/zinc/01/16/66/950011666.db2.gz VDFCWSXORXBCNL-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181601 950011687 /nfs/dbraw/zinc/01/16/87/950011687.db2.gz VDFCWSXORXBCNL-CMPLNLGQSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181949 950029706 /nfs/dbraw/zinc/02/97/06/950029706.db2.gz NFAXZTPJECHONI-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181949 950029723 /nfs/dbraw/zinc/02/97/23/950029723.db2.gz NFAXZTPJECHONI-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001574491288 950029843 /nfs/dbraw/zinc/02/98/43/950029843.db2.gz BYAXDJMFTWFMAA-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574491288 950029866 /nfs/dbraw/zinc/02/98/66/950029866.db2.gz BYAXDJMFTWFMAA-SWLSCSKDSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573835079 950030397 /nfs/dbraw/zinc/03/03/97/950030397.db2.gz NYRSBKLMKZGBTD-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573835079 950030421 /nfs/dbraw/zinc/03/04/21/950030421.db2.gz NYRSBKLMKZGBTD-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573835080 950031470 /nfs/dbraw/zinc/03/14/70/950031470.db2.gz NYRSBKLMKZGBTD-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573835080 950031498 /nfs/dbraw/zinc/03/14/98/950031498.db2.gz NYRSBKLMKZGBTD-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574491415 950034242 /nfs/dbraw/zinc/03/42/42/950034242.db2.gz COJLZEMLZCQJPQ-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574491415 950034264 /nfs/dbraw/zinc/03/42/64/950034264.db2.gz COJLZEMLZCQJPQ-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)CCNC(=O)C1 ZINC001575574899 950034739 /nfs/dbraw/zinc/03/47/39/950034739.db2.gz BJTNCODCQPNZDP-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)CCNC(=O)C1 ZINC001575574899 950034756 /nfs/dbraw/zinc/03/47/56/950034756.db2.gz BJTNCODCQPNZDP-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182088 950035224 /nfs/dbraw/zinc/03/52/24/950035224.db2.gz XYYNULNADPIGSY-BXKDBHETSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182088 950035241 /nfs/dbraw/zinc/03/52/41/950035241.db2.gz XYYNULNADPIGSY-BXKDBHETSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730935 950040869 /nfs/dbraw/zinc/04/08/69/950040869.db2.gz SZMURFCWCHXQMY-SNVBAGLBSA-N -1 1 388.382 0.858 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574731450 950049420 /nfs/dbraw/zinc/04/94/20/950049420.db2.gz DZWSIHRMFHKYCR-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574731450 950049442 /nfs/dbraw/zinc/04/94/42/950049442.db2.gz DZWSIHRMFHKYCR-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001574491833 950053596 /nfs/dbraw/zinc/05/35/96/950053596.db2.gz GRSTUZFXLAYSKH-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574492027 950056909 /nfs/dbraw/zinc/05/69/09/950056909.db2.gz IHPHCTMAYCXWAP-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574492027 950056932 /nfs/dbraw/zinc/05/69/32/950056932.db2.gz IHPHCTMAYCXWAP-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182592 950058241 /nfs/dbraw/zinc/05/82/41/950058241.db2.gz ORSNZGKOCAEHEG-NWDGAFQWSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182660 950060017 /nfs/dbraw/zinc/06/00/17/950060017.db2.gz OUQWGSHKCORTDJ-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182660 950060040 /nfs/dbraw/zinc/06/00/40/950060040.db2.gz OUQWGSHKCORTDJ-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574731592 950061136 /nfs/dbraw/zinc/06/11/36/950061136.db2.gz XVPVCHMEASWRNE-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574731592 950061159 /nfs/dbraw/zinc/06/11/59/950061159.db2.gz XVPVCHMEASWRNE-LBPRGKRZSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182662 950062712 /nfs/dbraw/zinc/06/27/12/950062712.db2.gz OUQWGSHKCORTDJ-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182662 950062732 /nfs/dbraw/zinc/06/27/32/950062732.db2.gz OUQWGSHKCORTDJ-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182583 950062895 /nfs/dbraw/zinc/06/28/95/950062895.db2.gz ORNGIXPVPHDAJD-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182583 950062911 /nfs/dbraw/zinc/06/29/11/950062911.db2.gz ORNGIXPVPHDAJD-RISCZKNCSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574492157 950066901 /nfs/dbraw/zinc/06/69/01/950066901.db2.gz JYJAPGSRQWMROD-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492157 950066921 /nfs/dbraw/zinc/06/69/21/950066921.db2.gz JYJAPGSRQWMROD-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574732785 950074983 /nfs/dbraw/zinc/07/49/83/950074983.db2.gz KRJDIJKEWZZSLB-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574732785 950075004 /nfs/dbraw/zinc/07/50/04/950075004.db2.gz KRJDIJKEWZZSLB-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001574492329 950079004 /nfs/dbraw/zinc/07/90/04/950079004.db2.gz AJHKKINFSHVRDK-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574492329 950079021 /nfs/dbraw/zinc/07/90/21/950079021.db2.gz AJHKKINFSHVRDK-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574492423 950084174 /nfs/dbraw/zinc/08/41/74/950084174.db2.gz AWVZFQJEUXAFHG-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574492423 950084199 /nfs/dbraw/zinc/08/41/99/950084199.db2.gz AWVZFQJEUXAFHG-DGCLKSJQSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001574492508 950088559 /nfs/dbraw/zinc/08/85/59/950088559.db2.gz NPBDGESANMMNRS-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001574492508 950088576 /nfs/dbraw/zinc/08/85/76/950088576.db2.gz NPBDGESANMMNRS-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183454 950088878 /nfs/dbraw/zinc/08/88/78/950088878.db2.gz SCCWPWCRZKYZAE-ZWNOBZJWSA-N -1 1 385.407 0.899 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183434 950089308 /nfs/dbraw/zinc/08/93/08/950089308.db2.gz RUNYOLTVEIWOEX-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183434 950089332 /nfs/dbraw/zinc/08/93/32/950089332.db2.gz RUNYOLTVEIWOEX-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183461 950090497 /nfs/dbraw/zinc/09/04/97/950090497.db2.gz SDFZUVSCMBUDQZ-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183461 950090518 /nfs/dbraw/zinc/09/05/18/950090518.db2.gz SDFZUVSCMBUDQZ-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573836769 950091465 /nfs/dbraw/zinc/09/14/65/950091465.db2.gz QBFGVDHSGHBQHB-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573836769 950091490 /nfs/dbraw/zinc/09/14/90/950091490.db2.gz QBFGVDHSGHBQHB-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCCN(C(=O)CCN1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)[O-] ZINC000262232368 950091840 /nfs/dbraw/zinc/09/18/40/950091840.db2.gz NIZPQCAWSUCMQG-HNNXBMFYSA-N -1 1 391.472 0.032 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575893611 950092368 /nfs/dbraw/zinc/09/23/68/950092368.db2.gz AXHBDNBYSLZDST-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575893611 950092387 /nfs/dbraw/zinc/09/23/87/950092387.db2.gz AXHBDNBYSLZDST-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183654 950096585 /nfs/dbraw/zinc/09/65/85/950096585.db2.gz RCGWLIYKAKNZFB-VXGBXAGGSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183654 950096604 /nfs/dbraw/zinc/09/66/04/950096604.db2.gz RCGWLIYKAKNZFB-VXGBXAGGSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492664 950097001 /nfs/dbraw/zinc/09/70/01/950097001.db2.gz OGXZCOPIXFJUIQ-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183652 950097287 /nfs/dbraw/zinc/09/72/87/950097287.db2.gz RCGWLIYKAKNZFB-NWDGAFQWSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183652 950097305 /nfs/dbraw/zinc/09/73/05/950097305.db2.gz RCGWLIYKAKNZFB-NWDGAFQWSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183653 950097343 /nfs/dbraw/zinc/09/73/43/950097343.db2.gz RCGWLIYKAKNZFB-RYUDHWBXSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183653 950097360 /nfs/dbraw/zinc/09/73/60/950097360.db2.gz RCGWLIYKAKNZFB-RYUDHWBXSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492682 950097466 /nfs/dbraw/zinc/09/74/66/950097466.db2.gz OMNYSJDCLQQPLL-PNESKVBLSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574492655 950098555 /nfs/dbraw/zinc/09/85/55/950098555.db2.gz OEBOISUXHMARCO-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574492655 950098577 /nfs/dbraw/zinc/09/85/77/950098577.db2.gz OEBOISUXHMARCO-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574492656 950099913 /nfs/dbraw/zinc/09/99/13/950099913.db2.gz OEBOISUXHMARCO-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574492656 950099937 /nfs/dbraw/zinc/09/99/37/950099937.db2.gz OEBOISUXHMARCO-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183730 950101173 /nfs/dbraw/zinc/10/11/73/950101173.db2.gz TXTSRASLUFHKAR-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183730 950101182 /nfs/dbraw/zinc/10/11/82/950101182.db2.gz TXTSRASLUFHKAR-YPMHNXCESA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183727 950101891 /nfs/dbraw/zinc/10/18/91/950101891.db2.gz TXTSRASLUFHKAR-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183727 950101897 /nfs/dbraw/zinc/10/18/97/950101897.db2.gz TXTSRASLUFHKAR-AAEUAGOBSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575582167 950104470 /nfs/dbraw/zinc/10/44/70/950104470.db2.gz AKVRGCBOLLXZDH-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575582167 950104484 /nfs/dbraw/zinc/10/44/84/950104484.db2.gz AKVRGCBOLLXZDH-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733431 950110605 /nfs/dbraw/zinc/11/06/05/950110605.db2.gz AVPMDNKTSRWTEA-FPMFFAJLSA-N -1 1 379.428 0.536 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCCCC2)CCOC1 ZINC001575582303 950111441 /nfs/dbraw/zinc/11/14/41/950111441.db2.gz ILOZGSIXFINOGI-QGZVFWFLSA-N -1 1 386.460 0.736 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574733972 950123404 /nfs/dbraw/zinc/12/34/04/950123404.db2.gz IIOCYJXNVLEERW-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574733972 950123429 /nfs/dbraw/zinc/12/34/29/950123429.db2.gz IIOCYJXNVLEERW-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184371 950130066 /nfs/dbraw/zinc/13/00/66/950130066.db2.gz WFHRGICLZYAUMT-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184371 950130078 /nfs/dbraw/zinc/13/00/78/950130078.db2.gz WFHRGICLZYAUMT-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001574493448 950131218 /nfs/dbraw/zinc/13/12/18/950131218.db2.gz GXOPIROGEUSPDP-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001574493448 950131234 /nfs/dbraw/zinc/13/12/34/950131234.db2.gz GXOPIROGEUSPDP-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184579 950132173 /nfs/dbraw/zinc/13/21/73/950132173.db2.gz WPXJDGSNBCSLRJ-JSGCOSHPSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574734397 950133321 /nfs/dbraw/zinc/13/33/21/950133321.db2.gz LRMFIIWSMXOPCJ-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574734397 950133332 /nfs/dbraw/zinc/13/33/32/950133332.db2.gz LRMFIIWSMXOPCJ-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573839795 950133882 /nfs/dbraw/zinc/13/38/82/950133882.db2.gz XBLDQJPCNVWGHP-UHFFFAOYSA-N -1 1 390.492 0.774 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574493621 950136359 /nfs/dbraw/zinc/13/63/59/950136359.db2.gz UXMWXPUDAWVAIL-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574493621 950136370 /nfs/dbraw/zinc/13/63/70/950136370.db2.gz UXMWXPUDAWVAIL-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CCCOC1 ZINC001575583050 950139399 /nfs/dbraw/zinc/13/93/99/950139399.db2.gz JSZRGQQKEZBIKF-ZIVKBKJYSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CCCOC1 ZINC001575583050 950139416 /nfs/dbraw/zinc/13/94/16/950139416.db2.gz JSZRGQQKEZBIKF-ZIVKBKJYSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184752 950140916 /nfs/dbraw/zinc/14/09/16/950140916.db2.gz XLKYAVBGEXBZSH-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184752 950140928 /nfs/dbraw/zinc/14/09/28/950140928.db2.gz XLKYAVBGEXBZSH-JQWIXIFHSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184706 950142365 /nfs/dbraw/zinc/14/23/65/950142365.db2.gz WZYIZNFWBCICFE-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184706 950142377 /nfs/dbraw/zinc/14/23/77/950142377.db2.gz WZYIZNFWBCICFE-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575583254 950143694 /nfs/dbraw/zinc/14/36/94/950143694.db2.gz KUIVREOYGHZQHR-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575898405 950152130 /nfs/dbraw/zinc/15/21/30/950152130.db2.gz SCSNUGZMVJSVGP-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574494150 950152482 /nfs/dbraw/zinc/15/24/82/950152482.db2.gz XFZDTZWFWMAZSW-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574494150 950152495 /nfs/dbraw/zinc/15/24/95/950152495.db2.gz XFZDTZWFWMAZSW-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576185049 950155976 /nfs/dbraw/zinc/15/59/76/950155976.db2.gz ZBEJWHWFUYLQCP-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576185049 950155991 /nfs/dbraw/zinc/15/59/91/950155991.db2.gz ZBEJWHWFUYLQCP-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190526 950162138 /nfs/dbraw/zinc/16/21/38/950162138.db2.gz AFGJJLHGNDHEHZ-NWDGAFQWSA-N -1 1 382.432 0.022 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574982379 950162554 /nfs/dbraw/zinc/16/25/54/950162554.db2.gz BNHGJUKMGJBHLS-JTQLQIEISA-N -1 1 384.448 0.577 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190521 950163031 /nfs/dbraw/zinc/16/30/31/950163031.db2.gz ACIBNNKQUTWEKP-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190521 950163042 /nfs/dbraw/zinc/16/30/42/950163042.db2.gz ACIBNNKQUTWEKP-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574494436 950165924 /nfs/dbraw/zinc/16/59/24/950165924.db2.gz YQDJONIGZBKGJU-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1ccnc1 ZINC001574494513 950167651 /nfs/dbraw/zinc/16/76/51/950167651.db2.gz KKXKHFTYHBSDIJ-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1ccnc1 ZINC001574494513 950167667 /nfs/dbraw/zinc/16/76/67/950167667.db2.gz KKXKHFTYHBSDIJ-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM CC1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCOCC2)CCCC1 ZINC001575584619 950173232 /nfs/dbraw/zinc/17/32/32/950173232.db2.gz YVDPJPSGOGKKKP-UHFFFAOYSA-N -1 1 386.460 0.736 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001574154677 950174627 /nfs/dbraw/zinc/17/46/27/950174627.db2.gz FYXNZERLXOXJSD-ZDUSSCGKSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c2ncccc12)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574982732 950180522 /nfs/dbraw/zinc/18/05/22/950180522.db2.gz FYHSMBKVPVXBDZ-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c2ncccc12)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574982732 950180529 /nfs/dbraw/zinc/18/05/29/950180529.db2.gz FYHSMBKVPVXBDZ-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899842 950181820 /nfs/dbraw/zinc/18/18/20/950181820.db2.gz AGZFVBVIXBLRCP-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899842 950181826 /nfs/dbraw/zinc/18/18/26/950181826.db2.gz AGZFVBVIXBLRCP-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574494780 950183169 /nfs/dbraw/zinc/18/31/69/950183169.db2.gz ODFDFCIDMIYKSZ-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574494780 950183179 /nfs/dbraw/zinc/18/31/79/950183179.db2.gz ODFDFCIDMIYKSZ-YPMHNXCESA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191151 950188146 /nfs/dbraw/zinc/18/81/46/950188146.db2.gz DSQQFNMJAZNJHM-GHMZBOCLSA-N -1 1 385.457 0.745 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1)NC(N)=O ZINC001574494937 950191279 /nfs/dbraw/zinc/19/12/79/950191279.db2.gz QLCQRDIIGQZUEY-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1)NC(N)=O ZINC001574494937 950191290 /nfs/dbraw/zinc/19/12/90/950191290.db2.gz QLCQRDIIGQZUEY-RITPCOANSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575585255 950191276 /nfs/dbraw/zinc/19/12/76/950191276.db2.gz XYVHDJVEZONELZ-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575585255 950191292 /nfs/dbraw/zinc/19/12/92/950191292.db2.gz XYVHDJVEZONELZ-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1cnn(C)c1 ZINC001574155473 950193548 /nfs/dbraw/zinc/19/35/48/950193548.db2.gz LVGRGWJHJXXWSO-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cnn(C)c1 ZINC001574155473 950193568 /nfs/dbraw/zinc/19/35/68/950193568.db2.gz LVGRGWJHJXXWSO-ZDUSSCGKSA-N -1 1 384.448 0.576 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574495172 950196252 /nfs/dbraw/zinc/19/62/52/950196252.db2.gz RKUAFQLEBQVNNZ-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574495172 950196270 /nfs/dbraw/zinc/19/62/70/950196270.db2.gz RKUAFQLEBQVNNZ-AAEUAGOBSA-N -1 1 383.416 0.135 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCCOC1 ZINC001575585483 950197176 /nfs/dbraw/zinc/19/71/76/950197176.db2.gz ZYWCJKLWLABYES-ZIVKBKJYSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCCOC1 ZINC001575585483 950197182 /nfs/dbraw/zinc/19/71/82/950197182.db2.gz ZYWCJKLWLABYES-ZIVKBKJYSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574495200 950197914 /nfs/dbraw/zinc/19/79/14/950197914.db2.gz RLNSZYYBAGDEBL-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574495200 950197933 /nfs/dbraw/zinc/19/79/33/950197933.db2.gz RLNSZYYBAGDEBL-DGCLKSJQSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191571 950199469 /nfs/dbraw/zinc/19/94/69/950199469.db2.gz IMRDUMMORSHWPP-GHMZBOCLSA-N -1 1 385.407 0.756 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191759 950207969 /nfs/dbraw/zinc/20/79/69/950207969.db2.gz IIKNWJNEVKHXFX-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191759 950207987 /nfs/dbraw/zinc/20/79/87/950207987.db2.gz IIKNWJNEVKHXFX-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1COCCO1 ZINC001574155837 950211719 /nfs/dbraw/zinc/21/17/19/950211719.db2.gz SCBCQAXARXVZMC-WCQYABFASA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1COCCO1 ZINC001574155837 950211739 /nfs/dbraw/zinc/21/17/39/950211739.db2.gz SCBCQAXARXVZMC-WCQYABFASA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574155747 950214020 /nfs/dbraw/zinc/21/40/20/950214020.db2.gz REEDBBVCHSZODB-RYUDHWBXSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574155747 950214035 /nfs/dbraw/zinc/21/40/35/950214035.db2.gz REEDBBVCHSZODB-RYUDHWBXSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191893 950215053 /nfs/dbraw/zinc/21/50/53/950215053.db2.gz IVTIKHKFXSZPRN-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191893 950215073 /nfs/dbraw/zinc/21/50/73/950215073.db2.gz IVTIKHKFXSZPRN-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1ccnc1 ZINC001574496503 950215231 /nfs/dbraw/zinc/21/52/31/950215231.db2.gz WYCPNMFJMTWVQE-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1ccnc1 ZINC001574496503 950215245 /nfs/dbraw/zinc/21/52/45/950215245.db2.gz WYCPNMFJMTWVQE-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574156095 950221578 /nfs/dbraw/zinc/22/15/78/950221578.db2.gz WPBMKPKHBVDCJU-UGSOOPFHSA-N -1 1 388.476 0.838 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1CCOCC1 ZINC001574156212 950233807 /nfs/dbraw/zinc/23/38/07/950233807.db2.gz ZCLDJBKMKFVGQY-AWEZNQCLSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574741111 950234173 /nfs/dbraw/zinc/23/41/73/950234173.db2.gz GSRDYPUFGVWILH-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574741111 950234200 /nfs/dbraw/zinc/23/42/00/950234200.db2.gz GSRDYPUFGVWILH-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574740778 950235290 /nfs/dbraw/zinc/23/52/90/950235290.db2.gz GIMOUNCFCHIUHQ-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574740778 950235320 /nfs/dbraw/zinc/23/53/20/950235320.db2.gz GIMOUNCFCHIUHQ-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)[C@@H]1CCCO1 ZINC001574497726 950236956 /nfs/dbraw/zinc/23/69/56/950236956.db2.gz BSYFYXRAUZRWGJ-STQMWFEESA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)[C@H]1CCCO1 ZINC001574497725 950238767 /nfs/dbraw/zinc/23/87/67/950238767.db2.gz BSYFYXRAUZRWGJ-QWHCGFSZSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192303 950239426 /nfs/dbraw/zinc/23/94/26/950239426.db2.gz LUVDTDWHSDXWIU-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192303 950239435 /nfs/dbraw/zinc/23/94/35/950239435.db2.gz LUVDTDWHSDXWIU-NEPJUHHUSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192353 950244854 /nfs/dbraw/zinc/24/48/54/950244854.db2.gz LZVZGJBUSDWWNQ-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192353 950244867 /nfs/dbraw/zinc/24/48/67/950244867.db2.gz LZVZGJBUSDWWNQ-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192462 950248131 /nfs/dbraw/zinc/24/81/31/950248131.db2.gz NFEYHPBHFYUMQS-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192462 950248148 /nfs/dbraw/zinc/24/81/48/950248148.db2.gz NFEYHPBHFYUMQS-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574984093 950254916 /nfs/dbraw/zinc/25/49/16/950254916.db2.gz WLJWAUHHVVRNBN-LLVKDONJSA-N -1 1 391.395 0.964 20 0 GCADMM C[C@@H](CC(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C1CC1 ZINC001574498135 950259280 /nfs/dbraw/zinc/25/92/80/950259280.db2.gz KIRZZUBAWPLGHM-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CC(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C1CC1 ZINC001574498135 950259301 /nfs/dbraw/zinc/25/93/01/950259301.db2.gz KIRZZUBAWPLGHM-KPZWWZAWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574157940 950265135 /nfs/dbraw/zinc/26/51/35/950265135.db2.gz LKIRIMUYTUIIQW-LBPRGKRZSA-N -1 1 383.416 0.436 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001574157964 950265253 /nfs/dbraw/zinc/26/52/53/950265253.db2.gz LXNVRUNJACIYSZ-VIFPVBQESA-N -1 1 391.823 0.977 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@]1(F)CCOC1 ZINC001574158121 950274357 /nfs/dbraw/zinc/27/43/57/950274357.db2.gz OIKWCSIDFWAWFP-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@]1(F)CCOC1 ZINC001574158121 950274378 /nfs/dbraw/zinc/27/43/78/950274378.db2.gz OIKWCSIDFWAWFP-MEDUHNTESA-N -1 1 378.412 0.728 20 0 GCADMM CC1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575592067 950275446 /nfs/dbraw/zinc/27/54/46/950275446.db2.gz BIIGEUCMASHGHT-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575592066 950275564 /nfs/dbraw/zinc/27/55/64/950275564.db2.gz BIIGEUCMASHGHT-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574158494 950280631 /nfs/dbraw/zinc/28/06/31/950280631.db2.gz BNSLXJGHGXCVMO-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574158494 950280650 /nfs/dbraw/zinc/28/06/50/950280650.db2.gz BNSLXJGHGXCVMO-RYUDHWBXSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193126 950285627 /nfs/dbraw/zinc/28/56/27/950285627.db2.gz SBLWFUIKOUIVTG-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193126 950285641 /nfs/dbraw/zinc/28/56/41/950285641.db2.gz SBLWFUIKOUIVTG-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574158546 950287002 /nfs/dbraw/zinc/28/70/02/950287002.db2.gz CHHJAYHHWUTEJE-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574158546 950287024 /nfs/dbraw/zinc/28/70/24/950287024.db2.gz CHHJAYHHWUTEJE-VXGBXAGGSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574498845 950290209 /nfs/dbraw/zinc/29/02/09/950290209.db2.gz QFMMGGKAQWSDDU-RYUDHWBXSA-N -1 1 376.465 0.430 20 0 GCADMM CC1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575592617 950293395 /nfs/dbraw/zinc/29/33/95/950293395.db2.gz HPVKITCPJZAMKQ-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575592617 950293422 /nfs/dbraw/zinc/29/34/22/950293422.db2.gz HPVKITCPJZAMKQ-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](O)C1 ZINC001573852370 950305867 /nfs/dbraw/zinc/30/58/67/950305867.db2.gz GEZKPPDBBXZDEU-UWVGGRQHSA-N -1 1 378.389 0.560 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](O)C1 ZINC001573852370 950305885 /nfs/dbraw/zinc/30/58/85/950305885.db2.gz GEZKPPDBBXZDEU-UWVGGRQHSA-N -1 1 378.389 0.560 20 0 GCADMM CC1(C(=O)NCCN2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCC1 ZINC001575593135 950308135 /nfs/dbraw/zinc/30/81/35/950308135.db2.gz LEWQKMKCXGEIQP-UHFFFAOYSA-N -1 1 385.476 0.475 20 0 GCADMM CC1(C(=O)NCCN2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001575593135 950308156 /nfs/dbraw/zinc/30/81/56/950308156.db2.gz LEWQKMKCXGEIQP-UHFFFAOYSA-N -1 1 385.476 0.475 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193631 950309254 /nfs/dbraw/zinc/30/92/54/950309254.db2.gz UYHZEKIKZPGENT-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193631 950309273 /nfs/dbraw/zinc/30/92/73/950309273.db2.gz UYHZEKIKZPGENT-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)C1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001573852723 950313235 /nfs/dbraw/zinc/31/32/35/950313235.db2.gz ISQFFUNVSLYTEX-UHFFFAOYSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)C1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001573852723 950313256 /nfs/dbraw/zinc/31/32/56/950313256.db2.gz ISQFFUNVSLYTEX-UHFFFAOYSA-N -1 1 390.448 0.855 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574501047 950316984 /nfs/dbraw/zinc/31/69/84/950316984.db2.gz AOSDBHSNAPOQQF-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574501047 950317003 /nfs/dbraw/zinc/31/70/03/950317003.db2.gz AOSDBHSNAPOQQF-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCCO2)CCCC1 ZINC001575593518 950317905 /nfs/dbraw/zinc/31/79/05/950317905.db2.gz GXRUIQFOYROSDY-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCCO2)CCCC1 ZINC001575593518 950317931 /nfs/dbraw/zinc/31/79/31/950317931.db2.gz GXRUIQFOYROSDY-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)n1cncn1 ZINC001574159830 950319734 /nfs/dbraw/zinc/31/97/34/950319734.db2.gz KETYPDNAGZKMCG-NWDGAFQWSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)n1cncn1 ZINC001574159830 950319756 /nfs/dbraw/zinc/31/97/56/950319756.db2.gz KETYPDNAGZKMCG-NWDGAFQWSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nnn[n-]3)ncn2)C[C@@H]1CCO ZINC001573853435 950320937 /nfs/dbraw/zinc/32/09/37/950320937.db2.gz OYJANBNHZQTNPI-NSHDSACASA-N -1 1 376.421 0.465 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nn[n-]n3)ncn2)C[C@@H]1CCO ZINC001573853435 950320960 /nfs/dbraw/zinc/32/09/60/950320960.db2.gz OYJANBNHZQTNPI-NSHDSACASA-N -1 1 376.421 0.465 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573853482 950322930 /nfs/dbraw/zinc/32/29/30/950322930.db2.gz QERFFFPQTXPXQM-JTQLQIEISA-N -1 1 391.436 0.220 20 0 GCADMM CC1(C(=O)NCCOCCCNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575594518 950332832 /nfs/dbraw/zinc/33/28/32/950332832.db2.gz USJVVFBHWGBMJV-UHFFFAOYSA-N -1 1 390.448 0.408 20 0 GCADMM CC1(C(=O)NCCOCCCNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575594518 950332852 /nfs/dbraw/zinc/33/28/52/950332852.db2.gz USJVVFBHWGBMJV-UHFFFAOYSA-N -1 1 390.448 0.408 20 0 GCADMM CC1(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001575594753 950342962 /nfs/dbraw/zinc/34/29/62/950342962.db2.gz MITSNNBWXKLERX-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001575594753 950342985 /nfs/dbraw/zinc/34/29/85/950342985.db2.gz MITSNNBWXKLERX-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194527 950348267 /nfs/dbraw/zinc/34/82/67/950348267.db2.gz ZUVSPOHSZKINIQ-NXEZZACHSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194527 950348287 /nfs/dbraw/zinc/34/82/87/950348287.db2.gz ZUVSPOHSZKINIQ-NXEZZACHSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574501877 950349564 /nfs/dbraw/zinc/34/95/64/950349564.db2.gz HCMKELXJSKSPSL-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574161800 950367871 /nfs/dbraw/zinc/36/78/71/950367871.db2.gz XIRSSNRAUGUCHR-NEPJUHHUSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574161800 950367892 /nfs/dbraw/zinc/36/78/92/950367892.db2.gz XIRSSNRAUGUCHR-NEPJUHHUSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574161795 950369451 /nfs/dbraw/zinc/36/94/51/950369451.db2.gz XGYVXDBEXXQGRR-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574161795 950369471 /nfs/dbraw/zinc/36/94/71/950369471.db2.gz XGYVXDBEXXQGRR-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cccn1 ZINC001574162110 950371959 /nfs/dbraw/zinc/37/19/59/950371959.db2.gz ZEJVWLCQKHRRJN-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cccn1 ZINC001574162110 950371982 /nfs/dbraw/zinc/37/19/82/950371982.db2.gz ZEJVWLCQKHRRJN-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574745140 950374163 /nfs/dbraw/zinc/37/41/63/950374163.db2.gz FNAQHDFKJOULIS-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574745140 950374185 /nfs/dbraw/zinc/37/41/85/950374185.db2.gz FNAQHDFKJOULIS-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574745195 950377074 /nfs/dbraw/zinc/37/70/74/950377074.db2.gz GWTJEIQXSBLALO-MRVPVSSYSA-N -1 1 392.374 0.322 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574746141 950389750 /nfs/dbraw/zinc/38/97/50/950389750.db2.gz LZRJGJRNXGRGLF-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574746141 950389770 /nfs/dbraw/zinc/38/97/70/950389770.db2.gz LZRJGJRNXGRGLF-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574502862 950393970 /nfs/dbraw/zinc/39/39/70/950393970.db2.gz RFXHSDVCVHVYRB-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574502862 950393987 /nfs/dbraw/zinc/39/39/87/950393987.db2.gz RFXHSDVCVHVYRB-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001574163217 950417691 /nfs/dbraw/zinc/41/76/91/950417691.db2.gz RDIIGOPIFMDROJ-RYUDHWBXSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001574163217 950417700 /nfs/dbraw/zinc/41/77/00/950417700.db2.gz RDIIGOPIFMDROJ-RYUDHWBXSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574747779 950418070 /nfs/dbraw/zinc/41/80/70/950418070.db2.gz XELSOONGALUAJZ-SNVBAGLBSA-N -1 1 384.448 0.672 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575597695 950418713 /nfs/dbraw/zinc/41/87/13/950418713.db2.gz VTXOKGROCGIRGE-IUUKEHGRSA-N -1 1 399.459 0.270 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575597695 950418729 /nfs/dbraw/zinc/41/87/29/950418729.db2.gz VTXOKGROCGIRGE-IUUKEHGRSA-N -1 1 399.459 0.270 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573860350 950420924 /nfs/dbraw/zinc/42/09/24/950420924.db2.gz GXHCKOBEIZLLTN-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573860350 950420940 /nfs/dbraw/zinc/42/09/40/950420940.db2.gz GXHCKOBEIZLLTN-MRXNPFEDSA-N -1 1 376.421 0.513 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574504037 950422145 /nfs/dbraw/zinc/42/21/45/950422145.db2.gz ZPKIXMXBGDRDMG-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574163563 950425989 /nfs/dbraw/zinc/42/59/89/950425989.db2.gz WDCOVLRFVQPGLH-NWDGAFQWSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574163563 950426011 /nfs/dbraw/zinc/42/60/11/950426011.db2.gz WDCOVLRFVQPGLH-NWDGAFQWSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574750544 950429915 /nfs/dbraw/zinc/42/99/15/950429915.db2.gz CJZVPCZHJDNENN-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574750544 950429923 /nfs/dbraw/zinc/42/99/23/950429923.db2.gz CJZVPCZHJDNENN-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)n1cncn1 ZINC001574163604 950431309 /nfs/dbraw/zinc/43/13/09/950431309.db2.gz WSYOCLKKMKHESJ-NWDGAFQWSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)n1cncn1 ZINC001574163604 950431321 /nfs/dbraw/zinc/43/13/21/950431321.db2.gz WSYOCLKKMKHESJ-NWDGAFQWSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574750747 950440482 /nfs/dbraw/zinc/44/04/82/950440482.db2.gz HANZCAYTRPMFCF-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574750747 950440495 /nfs/dbraw/zinc/44/04/95/950440495.db2.gz HANZCAYTRPMFCF-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)(C)OC(=O)NCCN(CCO)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001573861325 950443914 /nfs/dbraw/zinc/44/39/14/950443914.db2.gz YOKTYTQPNSVVNG-UHFFFAOYSA-N -1 1 392.420 0.613 20 0 GCADMM CC(C)(C)OC(=O)NCCN(CCO)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001573861325 950443924 /nfs/dbraw/zinc/44/39/24/950443924.db2.gz YOKTYTQPNSVVNG-UHFFFAOYSA-N -1 1 392.420 0.613 20 0 GCADMM CCN(CC)CCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC001589724789 950447344 /nfs/dbraw/zinc/44/73/44/950447344.db2.gz MATNJHHCMKVAMA-GFCCVEGCSA-N -1 1 384.458 0.146 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751272 950458485 /nfs/dbraw/zinc/45/84/85/950458485.db2.gz MQWDXKPJJPTPKW-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751272 950458495 /nfs/dbraw/zinc/45/84/95/950458495.db2.gz MQWDXKPJJPTPKW-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)CCCCCC1 ZINC001575605332 950460116 /nfs/dbraw/zinc/46/01/16/950460116.db2.gz MIFNHDJDWOZLTI-CHWSQXEVSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccnn1C ZINC001575912550 950463698 /nfs/dbraw/zinc/46/36/98/950463698.db2.gz HBCXWTDLQSIATL-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccnn1C ZINC001575912550 950463716 /nfs/dbraw/zinc/46/37/16/950463716.db2.gz HBCXWTDLQSIATL-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574751809 950465827 /nfs/dbraw/zinc/46/58/27/950465827.db2.gz RGNJDVMSWWULOW-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574751809 950465835 /nfs/dbraw/zinc/46/58/35/950465835.db2.gz RGNJDVMSWWULOW-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574508248 950478637 /nfs/dbraw/zinc/47/86/37/950478637.db2.gz MUHZVMAFNNRQGS-RWMBFGLXSA-N -1 1 382.432 0.233 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1C1CC1 ZINC001573864018 950492856 /nfs/dbraw/zinc/49/28/56/950492856.db2.gz WKXWMJSMCFGWLJ-NWDGAFQWSA-N -1 1 388.432 0.285 20 0 GCADMM CC(C)C[C@H]1C[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574167801 950494564 /nfs/dbraw/zinc/49/45/64/950494564.db2.gz JRVKTFMMSUTODK-NEPJUHHUSA-N -1 1 391.432 0.229 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574994966 950497694 /nfs/dbraw/zinc/49/76/94/950497694.db2.gz BKKAGHUILFOASE-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574994966 950497708 /nfs/dbraw/zinc/49/77/08/950497708.db2.gz BKKAGHUILFOASE-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM CC1(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575606717 950499479 /nfs/dbraw/zinc/49/94/79/950499479.db2.gz DPDNOPBNSQFDHF-MGCOHNPYSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574995254 950500478 /nfs/dbraw/zinc/50/04/78/950500478.db2.gz CKNAGHPEFBOUQE-ZETCQYMHSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574995254 950500492 /nfs/dbraw/zinc/50/04/92/950500492.db2.gz CKNAGHPEFBOUQE-ZETCQYMHSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574995258 950501707 /nfs/dbraw/zinc/50/17/07/950501707.db2.gz CNTPTPPCMFNNRM-ZETCQYMHSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574995258 950501724 /nfs/dbraw/zinc/50/17/24/950501724.db2.gz CNTPTPPCMFNNRM-ZETCQYMHSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001574509295 950502925 /nfs/dbraw/zinc/50/29/25/950502925.db2.gz PVIDRXIYSDBQPA-LLVKDONJSA-N -1 1 375.433 0.852 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc2cccnn21)Nc1nccnc1-c1nnn[n-]1 ZINC001574752992 950509943 /nfs/dbraw/zinc/50/99/43/950509943.db2.gz IBIGBAWNZWYMJY-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc2cccnn21)Nc1nccnc1-c1nn[n-]n1 ZINC001574752992 950509953 /nfs/dbraw/zinc/50/99/53/950509953.db2.gz IBIGBAWNZWYMJY-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573866908 950517369 /nfs/dbraw/zinc/51/73/69/950517369.db2.gz NJYHMDJQWKKQAC-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573866908 950517386 /nfs/dbraw/zinc/51/73/86/950517386.db2.gz NJYHMDJQWKKQAC-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574996030 950520904 /nfs/dbraw/zinc/52/09/04/950520904.db2.gz JXOXIQBELYQFNC-MRVPVSSYSA-N -1 1 382.388 0.260 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574509604 950522114 /nfs/dbraw/zinc/52/21/14/950522114.db2.gz XMCFSVWVLOWMFW-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574509604 950522130 /nfs/dbraw/zinc/52/21/30/950522130.db2.gz XMCFSVWVLOWMFW-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573867117 950522329 /nfs/dbraw/zinc/52/23/29/950522329.db2.gz PQZXSIGQEZZJEN-NSHDSACASA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573867117 950522342 /nfs/dbraw/zinc/52/23/42/950522342.db2.gz PQZXSIGQEZZJEN-NSHDSACASA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573867116 950522361 /nfs/dbraw/zinc/52/23/61/950522361.db2.gz PQZXSIGQEZZJEN-LLVKDONJSA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573867116 950522374 /nfs/dbraw/zinc/52/23/74/950522374.db2.gz PQZXSIGQEZZJEN-LLVKDONJSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)[C@@H]1CCCO1 ZINC001574509694 950525399 /nfs/dbraw/zinc/52/53/99/950525399.db2.gz VVCWKHNPIWTLCA-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)[C@@H]1CCCO1 ZINC001574509694 950525410 /nfs/dbraw/zinc/52/54/10/950525410.db2.gz VVCWKHNPIWTLCA-WFASDCNBSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574509728 950527088 /nfs/dbraw/zinc/52/70/88/950527088.db2.gz WKHAGSNAQMFHQL-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573867422 950533823 /nfs/dbraw/zinc/53/38/23/950533823.db2.gz ZJOCHVAUXDWVFD-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)[C@@H]1CCCO1 ZINC001574510041 950538918 /nfs/dbraw/zinc/53/89/18/950538918.db2.gz YTLUKOQLNYULFR-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)[C@@H]1CCCO1 ZINC001574510041 950538934 /nfs/dbraw/zinc/53/89/34/950538934.db2.gz YTLUKOQLNYULFR-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753768 950539841 /nfs/dbraw/zinc/53/98/41/950539841.db2.gz RNBAJYIVHBJUMZ-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753768 950539860 /nfs/dbraw/zinc/53/98/60/950539860.db2.gz RNBAJYIVHBJUMZ-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573868527 950542796 /nfs/dbraw/zinc/54/27/96/950542796.db2.gz DFBXKDQMRLJMPG-AVGNSLFASA-N -1 1 386.460 0.945 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573868527 950542813 /nfs/dbraw/zinc/54/28/13/950542813.db2.gz DFBXKDQMRLJMPG-AVGNSLFASA-N -1 1 386.460 0.945 20 0 GCADMM CC(C)CCC(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001574170728 950547216 /nfs/dbraw/zinc/54/72/16/950547216.db2.gz LFVQPHQRUVFCQT-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CCC(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001574170728 950547230 /nfs/dbraw/zinc/54/72/30/950547230.db2.gz LFVQPHQRUVFCQT-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1ccco1 ZINC001574511066 950550201 /nfs/dbraw/zinc/55/02/01/950550201.db2.gz FNOFTSFVEVOVCC-UHTWSYAYSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccco1 ZINC001574511066 950550215 /nfs/dbraw/zinc/55/02/15/950550215.db2.gz FNOFTSFVEVOVCC-UHTWSYAYSA-N -1 1 384.400 0.109 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573868913 950552423 /nfs/dbraw/zinc/55/24/23/950552423.db2.gz IBMOZSMDINZEGY-OLZOCXBDSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573868913 950552435 /nfs/dbraw/zinc/55/24/35/950552435.db2.gz IBMOZSMDINZEGY-OLZOCXBDSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)n1cccn1 ZINC001574511553 950561379 /nfs/dbraw/zinc/56/13/79/950561379.db2.gz LQJIPIHYRJNRAL-MBNYWOFBSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccn1 ZINC001574511553 950561392 /nfs/dbraw/zinc/56/13/92/950561392.db2.gz LQJIPIHYRJNRAL-MBNYWOFBSA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574998848 950565757 /nfs/dbraw/zinc/56/57/57/950565757.db2.gz BMBQHBZAGLMNCS-SECBINFHSA-N -1 1 375.824 0.549 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574999199 950567514 /nfs/dbraw/zinc/56/75/14/950567514.db2.gz GMMYQGSOOFBNLU-MRVPVSSYSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574999199 950567528 /nfs/dbraw/zinc/56/75/28/950567528.db2.gz GMMYQGSOOFBNLU-MRVPVSSYSA-N -1 1 390.358 0.862 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1ccnc1 ZINC001574511731 950571762 /nfs/dbraw/zinc/57/17/62/950571762.db2.gz SDKCQAPIBZQHPE-JHJVBQTASA-N -1 1 382.432 0.445 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnccn1 ZINC001575917560 950579307 /nfs/dbraw/zinc/57/93/07/950579307.db2.gz ZCDPATYLRXTHAO-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnccn1 ZINC001575917560 950579324 /nfs/dbraw/zinc/57/93/24/950579324.db2.gz ZCDPATYLRXTHAO-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccncn1 ZINC001575917568 950581088 /nfs/dbraw/zinc/58/10/88/950581088.db2.gz ZFQXNSKJLGTPLS-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccncn1 ZINC001575917568 950581101 /nfs/dbraw/zinc/58/11/01/950581101.db2.gz ZFQXNSKJLGTPLS-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574999674 950584966 /nfs/dbraw/zinc/58/49/66/950584966.db2.gz LKKNKWNTAARHSL-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574999674 950584984 /nfs/dbraw/zinc/58/49/84/950584984.db2.gz LKKNKWNTAARHSL-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001575616913 950589100 /nfs/dbraw/zinc/58/91/00/950589100.db2.gz UJOBWYKQDSHAFQ-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM CC1(C)C(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001575616913 950589114 /nfs/dbraw/zinc/58/91/14/950589114.db2.gz UJOBWYKQDSHAFQ-LLVKDONJSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999742 950591286 /nfs/dbraw/zinc/59/12/86/950591286.db2.gz MSFGPVSVAZBFLI-ZETCQYMHSA-N -1 1 378.347 0.572 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)COC1CCCCC1 ZINC001575918420 950592668 /nfs/dbraw/zinc/59/26/68/950592668.db2.gz BUQUSNLXTWAIHA-GXTWGEPZSA-N -1 1 386.460 0.829 20 0 GCADMM C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000120 950593937 /nfs/dbraw/zinc/59/39/37/950593937.db2.gz ALAIIEQWMLPWEJ-SECBINFHSA-N -1 1 381.400 0.476 20 0 GCADMM C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000120 950593963 /nfs/dbraw/zinc/59/39/63/950593963.db2.gz ALAIIEQWMLPWEJ-SECBINFHSA-N -1 1 381.400 0.476 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575000128 950594384 /nfs/dbraw/zinc/59/43/84/950594384.db2.gz PFMCHAVMBJETQO-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575000128 950594400 /nfs/dbraw/zinc/59/44/00/950594400.db2.gz PFMCHAVMBJETQO-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1nccn2ccnc12 ZINC001575918498 950594442 /nfs/dbraw/zinc/59/44/42/950594442.db2.gz CSAZFTLZLXONHT-MNOVXSKESA-N -1 1 391.399 0.415 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1nccn2ccnc12 ZINC001575918498 950594461 /nfs/dbraw/zinc/59/44/61/950594461.db2.gz CSAZFTLZLXONHT-MNOVXSKESA-N -1 1 391.399 0.415 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000135 950598813 /nfs/dbraw/zinc/59/88/13/950598813.db2.gz PFPFBSWMLWDGHG-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000135 950598828 /nfs/dbraw/zinc/59/88/28/950598828.db2.gz PFPFBSWMLWDGHG-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573870830 950600899 /nfs/dbraw/zinc/60/08/99/950600899.db2.gz XUEKRFHIGZEGKZ-ZDUSSCGKSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573870830 950600911 /nfs/dbraw/zinc/60/09/11/950600911.db2.gz XUEKRFHIGZEGKZ-ZDUSSCGKSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575000286 950602723 /nfs/dbraw/zinc/60/27/23/950602723.db2.gz CBTVYYPIXSCLPW-SNVBAGLBSA-N -1 1 381.400 0.607 20 0 GCADMM C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575000286 950602730 /nfs/dbraw/zinc/60/27/30/950602730.db2.gz CBTVYYPIXSCLPW-SNVBAGLBSA-N -1 1 381.400 0.607 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ncccc1F ZINC001575919024 950603965 /nfs/dbraw/zinc/60/39/65/950603965.db2.gz FNOFOYRPYUTXTM-JQWIXIFHSA-N -1 1 383.391 0.257 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573871547 950620274 /nfs/dbraw/zinc/62/02/74/950620274.db2.gz RPQLQPBSIZVSDZ-GFCCVEGCSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573871547 950620291 /nfs/dbraw/zinc/62/02/91/950620291.db2.gz RPQLQPBSIZVSDZ-GFCCVEGCSA-N -1 1 390.448 0.183 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccco1 ZINC001574515186 950623256 /nfs/dbraw/zinc/62/32/56/950623256.db2.gz BVVKGLZEGLJHPB-PVTKRXDGSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575001157 950624540 /nfs/dbraw/zinc/62/45/40/950624540.db2.gz ULLMPQPNXTVATG-JTQLQIEISA-N -1 1 382.432 0.168 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759023 950625484 /nfs/dbraw/zinc/62/54/84/950625484.db2.gz JHAGHYGBUSMZMV-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759023 950625494 /nfs/dbraw/zinc/62/54/94/950625494.db2.gz JHAGHYGBUSMZMV-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759237 950632328 /nfs/dbraw/zinc/63/23/28/950632328.db2.gz AGSYDQZCTAMSRO-SECBINFHSA-N -1 1 392.374 0.113 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575920588 950633586 /nfs/dbraw/zinc/63/35/86/950633586.db2.gz MQDTXHULKPNRFM-DTWKUNHWSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575001523 950634377 /nfs/dbraw/zinc/63/43/77/950634377.db2.gz MGGPMFZPDXJDOT-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575001523 950634383 /nfs/dbraw/zinc/63/43/83/950634383.db2.gz MGGPMFZPDXJDOT-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575001546 950637006 /nfs/dbraw/zinc/63/70/06/950637006.db2.gz NAELKYZVLYGFFT-SECBINFHSA-N -1 1 381.400 0.476 20 0 GCADMM C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575001546 950637019 /nfs/dbraw/zinc/63/70/19/950637019.db2.gz NAELKYZVLYGFFT-SECBINFHSA-N -1 1 381.400 0.476 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575921543 950640152 /nfs/dbraw/zinc/64/01/52/950640152.db2.gz NZUWTIVMACUDMO-BXUZGUMPSA-N -1 1 392.423 0.729 20 0 GCADMM C[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H]1C(=O)OC(C)(C)C ZINC001576213695 950641423 /nfs/dbraw/zinc/64/14/23/950641423.db2.gz GUBJIMFQUZGGLY-VHSXEESVSA-N -1 1 391.432 0.058 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574517671 950647444 /nfs/dbraw/zinc/64/74/44/950647444.db2.gz LDDXUETUCUDBHV-RAIGVLPGSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574517671 950647453 /nfs/dbraw/zinc/64/74/53/950647453.db2.gz LDDXUETUCUDBHV-RAIGVLPGSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759781 950648658 /nfs/dbraw/zinc/64/86/58/950648658.db2.gz FCNMUYJPSSCKKJ-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759781 950648670 /nfs/dbraw/zinc/64/86/70/950648670.db2.gz FCNMUYJPSSCKKJ-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760010 950654352 /nfs/dbraw/zinc/65/43/52/950654352.db2.gz SDAUTZWIBTYIQT-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760010 950654366 /nfs/dbraw/zinc/65/43/66/950654366.db2.gz SDAUTZWIBTYIQT-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760168 950655429 /nfs/dbraw/zinc/65/54/29/950655429.db2.gz GRHPXKZHONOUNV-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760168 950655442 /nfs/dbraw/zinc/65/54/42/950655442.db2.gz GRHPXKZHONOUNV-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574760165 950656056 /nfs/dbraw/zinc/65/60/56/950656056.db2.gz GRCRDZBJZABQQC-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574760165 950656091 /nfs/dbraw/zinc/65/60/91/950656091.db2.gz GRCRDZBJZABQQC-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574518876 950660165 /nfs/dbraw/zinc/66/01/65/950660165.db2.gz RIJOGMVDFUWXJF-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574518876 950660182 /nfs/dbraw/zinc/66/01/82/950660182.db2.gz RIJOGMVDFUWXJF-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760287 950664791 /nfs/dbraw/zinc/66/47/91/950664791.db2.gz VJBRXURFOVJJBB-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760287 950664800 /nfs/dbraw/zinc/66/48/00/950664800.db2.gz VJBRXURFOVJJBB-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575924064 950666472 /nfs/dbraw/zinc/66/64/72/950666472.db2.gz RNGTTZSACKUMJQ-ONGXEEELSA-N -1 1 388.823 0.030 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575924027 950666950 /nfs/dbraw/zinc/66/69/50/950666950.db2.gz DNMJWGMVVIGIQH-NEPJUHHUSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575924027 950666965 /nfs/dbraw/zinc/66/69/65/950666965.db2.gz DNMJWGMVVIGIQH-NEPJUHHUSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760509 950667593 /nfs/dbraw/zinc/66/75/93/950667593.db2.gz WFIHCHQROQLQJE-NSHDSACASA-N -1 1 382.432 0.112 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760508 950669068 /nfs/dbraw/zinc/66/90/68/950669068.db2.gz WFIHCHQROQLQJE-LLVKDONJSA-N -1 1 382.432 0.112 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncn1C ZINC001575925082 950682086 /nfs/dbraw/zinc/68/20/86/950682086.db2.gz GIFCVGHCPLWNBT-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576214838 950683207 /nfs/dbraw/zinc/68/32/07/950683207.db2.gz CPQGOCSJBYUWQC-IINYFYTJSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccn1 ZINC001574519554 950686504 /nfs/dbraw/zinc/68/65/04/950686504.db2.gz FYEMQXHUSUZCRY-YMEQNVIZSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccn1 ZINC001574519554 950686517 /nfs/dbraw/zinc/68/65/17/950686517.db2.gz FYEMQXHUSUZCRY-YMEQNVIZSA-N -1 1 380.416 0.055 20 0 GCADMM CC1(C)CC(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575625433 950687076 /nfs/dbraw/zinc/68/70/76/950687076.db2.gz TXUFXMQPKQSCQY-CYBMUJFWSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574761146 950693407 /nfs/dbraw/zinc/69/34/07/950693407.db2.gz RCOFBQUZWIQUDO-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574761146 950693422 /nfs/dbraw/zinc/69/34/22/950693422.db2.gz RCOFBQUZWIQUDO-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001575925754 950693861 /nfs/dbraw/zinc/69/38/61/950693861.db2.gz USPYBLVXXCWVEF-JGVFFNPUSA-N -1 1 391.848 0.904 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575005613 950694019 /nfs/dbraw/zinc/69/40/19/950694019.db2.gz IXOCHWLIBYOIJC-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575005613 950694029 /nfs/dbraw/zinc/69/40/29/950694029.db2.gz IXOCHWLIBYOIJC-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)N(C)CCNc3cnc(-c4nnn[n-]4)cn3)c2C1 ZINC001576215308 950695323 /nfs/dbraw/zinc/69/53/23/950695323.db2.gz FFVTXAVOOJXIPO-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM C[C@@H]1CCn2ncc(C(=O)N(C)CCNc3cnc(-c4nn[n-]n4)cn3)c2C1 ZINC001576215308 950695336 /nfs/dbraw/zinc/69/53/36/950695336.db2.gz FFVTXAVOOJXIPO-LLVKDONJSA-N -1 1 382.432 0.620 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001573878093 950701593 /nfs/dbraw/zinc/70/15/93/950701593.db2.gz KBTFFIMEQALUIV-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001573878093 950701606 /nfs/dbraw/zinc/70/16/06/950701606.db2.gz KBTFFIMEQALUIV-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215657 950703682 /nfs/dbraw/zinc/70/36/82/950703682.db2.gz FRWHQHZCWGTNDP-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215657 950703687 /nfs/dbraw/zinc/70/36/87/950703687.db2.gz FRWHQHZCWGTNDP-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@@H](O)CNc1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575626037 950704375 /nfs/dbraw/zinc/70/43/75/950704375.db2.gz WHQFFHRFLJOMSC-LASWEOPPSA-N -1 1 386.460 0.184 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575005994 950706707 /nfs/dbraw/zinc/70/67/07/950706707.db2.gz PMAGMSITRRBGDP-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575005994 950706726 /nfs/dbraw/zinc/70/67/26/950706726.db2.gz PMAGMSITRRBGDP-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccnn1C ZINC001575926392 950709710 /nfs/dbraw/zinc/70/97/10/950709710.db2.gz JQODYTNWNYZZRH-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccnn1C ZINC001575926392 950709730 /nfs/dbraw/zinc/70/97/30/950709730.db2.gz JQODYTNWNYZZRH-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763419 950711881 /nfs/dbraw/zinc/71/18/81/950711881.db2.gz ASKPDBFIBDFMQP-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763419 950711890 /nfs/dbraw/zinc/71/18/90/950711890.db2.gz ASKPDBFIBDFMQP-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3ccnc(-c4nn[n-]n4)n3)cn2C1 ZINC001576215833 950714562 /nfs/dbraw/zinc/71/45/62/950714562.db2.gz GNQABQHZIJKVMB-LLVKDONJSA-N -1 1 382.432 0.302 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576215905 950715133 /nfs/dbraw/zinc/71/51/33/950715133.db2.gz HDFIFAJPQVTMHI-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576215905 950715143 /nfs/dbraw/zinc/71/51/43/950715143.db2.gz HDFIFAJPQVTMHI-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216288 950727791 /nfs/dbraw/zinc/72/77/91/950727791.db2.gz HOPJPJPMWQLVPW-GHMZBOCLSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001575927026 950730456 /nfs/dbraw/zinc/73/04/56/950730456.db2.gz NEQSQAWDNBLCRA-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001575927026 950730470 /nfs/dbraw/zinc/73/04/70/950730470.db2.gz NEQSQAWDNBLCRA-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576216369 950731747 /nfs/dbraw/zinc/73/17/47/950731747.db2.gz ILDDTNCZHWYLGF-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576216369 950731770 /nfs/dbraw/zinc/73/17/70/950731770.db2.gz ILDDTNCZHWYLGF-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216379 950733481 /nfs/dbraw/zinc/73/34/81/950733481.db2.gz INMCDRJFIQYSBZ-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216379 950733493 /nfs/dbraw/zinc/73/34/93/950733493.db2.gz INMCDRJFIQYSBZ-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763841 950734240 /nfs/dbraw/zinc/73/42/40/950734240.db2.gz LYZVGJIRMUUIKJ-SECBINFHSA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574763939 950739536 /nfs/dbraw/zinc/73/95/36/950739536.db2.gz NFRBXCNJFLAEOZ-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM CC1(C)CC(C(=O)NC2(CO)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001575629573 950743289 /nfs/dbraw/zinc/74/32/89/950743289.db2.gz PPBRRKWAERNVIX-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)NC2(CO)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001575629573 950743301 /nfs/dbraw/zinc/74/33/01/950743301.db2.gz PPBRRKWAERNVIX-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574181323 950744916 /nfs/dbraw/zinc/74/49/16/950744916.db2.gz LPRPUENQSCCGBP-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574181323 950744931 /nfs/dbraw/zinc/74/49/31/950744931.db2.gz LPRPUENQSCCGBP-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576216934 950744951 /nfs/dbraw/zinc/74/49/51/950744951.db2.gz KEZOMBNOCWGJID-VHSXEESVSA-N -1 1 382.432 0.157 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)no1 ZINC001573880270 950745852 /nfs/dbraw/zinc/74/58/52/950745852.db2.gz XEVSUTIWCUNBRF-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)no1 ZINC001573880270 950745875 /nfs/dbraw/zinc/74/58/75/950745875.db2.gz XEVSUTIWCUNBRF-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576216950 950746791 /nfs/dbraw/zinc/74/67/91/950746791.db2.gz KKRPILHXDBVGND-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576216950 950746805 /nfs/dbraw/zinc/74/68/05/950746805.db2.gz KKRPILHXDBVGND-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216972 950749561 /nfs/dbraw/zinc/74/95/61/950749561.db2.gz LEWWWWQUSXIEMW-ZJUUUORDSA-N -1 1 382.432 0.157 20 0 GCADMM CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576217030 950750292 /nfs/dbraw/zinc/75/02/92/950750292.db2.gz GEVTYMWKTXCBHN-CYBMUJFWSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576217030 950750298 /nfs/dbraw/zinc/75/02/98/950750298.db2.gz GEVTYMWKTXCBHN-CYBMUJFWSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574182004 950752925 /nfs/dbraw/zinc/75/29/25/950752925.db2.gz RNAGEBYCSJBANL-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574182004 950752938 /nfs/dbraw/zinc/75/29/38/950752938.db2.gz RNAGEBYCSJBANL-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576217073 950755877 /nfs/dbraw/zinc/75/58/77/950755877.db2.gz GTLBXRYQOJHXCX-GTNSWQLSSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576217073 950755896 /nfs/dbraw/zinc/75/58/96/950755896.db2.gz GTLBXRYQOJHXCX-GTNSWQLSSA-N -1 1 390.423 0.601 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1nccn1C ZINC001575927868 950759080 /nfs/dbraw/zinc/75/90/80/950759080.db2.gz VKGFCTVGTZBDTA-VXGBXAGGSA-N -1 1 382.432 0.424 20 0 GCADMM CC1(C)CC(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCCO2)C1 ZINC001575630338 950760239 /nfs/dbraw/zinc/76/02/39/950760239.db2.gz BMCFKFZFTZEUAT-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764786 950761031 /nfs/dbraw/zinc/76/10/31/950761031.db2.gz YLAPFSYIZVVZJR-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764786 950761051 /nfs/dbraw/zinc/76/10/51/950761051.db2.gz YLAPFSYIZVVZJR-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)(C)c1ccc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)s1 ZINC001573882299 950777332 /nfs/dbraw/zinc/77/73/32/950777332.db2.gz YTPZHXWNPZYKLW-UHFFFAOYSA-N -1 1 389.441 0.804 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576218057 950777924 /nfs/dbraw/zinc/77/79/24/950777924.db2.gz KOEGMQBULKLMTG-SGTLLEGYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765198 950778006 /nfs/dbraw/zinc/77/80/06/950778006.db2.gz AJQFPEJQDQHDCI-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765198 950778026 /nfs/dbraw/zinc/77/80/26/950778026.db2.gz AJQFPEJQDQHDCI-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575929481 950781532 /nfs/dbraw/zinc/78/15/32/950781532.db2.gz CDALXUKTIAPBEK-MWLCHTKSSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575929481 950781541 /nfs/dbraw/zinc/78/15/41/950781541.db2.gz CDALXUKTIAPBEK-MWLCHTKSSA-N -1 1 388.823 0.608 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001573884137 950786657 /nfs/dbraw/zinc/78/66/57/950786657.db2.gz ACSUSJHIAQIQGA-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765530 950791112 /nfs/dbraw/zinc/79/11/12/950791112.db2.gz DNKIKASLTLHTSE-VIFPVBQESA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576218902 950794567 /nfs/dbraw/zinc/79/45/67/950794567.db2.gz RWWKNMCATWBVQB-GHMZBOCLSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576218809 950795613 /nfs/dbraw/zinc/79/56/13/950795613.db2.gz RQDNRZNNMFACSU-VHSXEESVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576218809 950795628 /nfs/dbraw/zinc/79/56/28/950795628.db2.gz RQDNRZNNMFACSU-VHSXEESVSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574185225 950798357 /nfs/dbraw/zinc/79/83/57/950798357.db2.gz VBCDVWKWIBHCFJ-CYBMUJFWSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574185225 950798372 /nfs/dbraw/zinc/79/83/72/950798372.db2.gz VBCDVWKWIBHCFJ-CYBMUJFWSA-N -1 1 376.465 0.739 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219102 950798782 /nfs/dbraw/zinc/79/87/82/950798782.db2.gz SKHNDIATIIZLTO-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219102 950798788 /nfs/dbraw/zinc/79/87/88/950798788.db2.gz SKHNDIATIIZLTO-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573884656 950800829 /nfs/dbraw/zinc/80/08/29/950800829.db2.gz HRADYTDVKHAUGV-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576219146 950805103 /nfs/dbraw/zinc/80/51/03/950805103.db2.gz SOQDAQDPHVDUIS-ZUZCIYMTSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574766145 950807399 /nfs/dbraw/zinc/80/73/99/950807399.db2.gz KNOVBQVERYXMOA-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574766145 950807426 /nfs/dbraw/zinc/80/74/26/950807426.db2.gz KNOVBQVERYXMOA-QMMMGPOBSA-N -1 1 375.343 0.903 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001573885058 950813661 /nfs/dbraw/zinc/81/36/61/950813661.db2.gz NLJYESOXFMSJDY-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001573885058 950813679 /nfs/dbraw/zinc/81/36/79/950813679.db2.gz NLJYESOXFMSJDY-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001576219839 950814641 /nfs/dbraw/zinc/81/46/41/950814641.db2.gz VIRZPCCMLZSWEL-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001576219839 950814670 /nfs/dbraw/zinc/81/46/70/950814670.db2.gz VIRZPCCMLZSWEL-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766357 950815984 /nfs/dbraw/zinc/81/59/84/950815984.db2.gz ISSLMQNVVWREHL-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766357 950815999 /nfs/dbraw/zinc/81/59/99/950815999.db2.gz ISSLMQNVVWREHL-SNVBAGLBSA-N -1 1 384.400 0.895 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573885119 950818267 /nfs/dbraw/zinc/81/82/67/950818267.db2.gz SBOCGXYXHAFCJD-UHFFFAOYSA-N -1 1 382.432 0.474 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575932264 950825398 /nfs/dbraw/zinc/82/53/98/950825398.db2.gz LEMFPPLYTRPSHR-GHMZBOCLSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575932264 950825419 /nfs/dbraw/zinc/82/54/19/950825419.db2.gz LEMFPPLYTRPSHR-GHMZBOCLSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766697 950825872 /nfs/dbraw/zinc/82/58/72/950825872.db2.gz KJZPWTABFZABPF-MRVPVSSYSA-N -1 1 376.812 0.038 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573885515 950826378 /nfs/dbraw/zinc/82/63/78/950826378.db2.gz YGSXEAUDWZOJSV-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575932753 950828150 /nfs/dbraw/zinc/82/81/50/950828150.db2.gz MMENSLMESQQTDR-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575932753 950828174 /nfs/dbraw/zinc/82/81/74/950828174.db2.gz MMENSLMESQQTDR-RKDXNWHRSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575932287 950831463 /nfs/dbraw/zinc/83/14/63/950831463.db2.gz LNVPAODOIIGZJU-WPRPVWTQSA-N -1 1 383.372 0.064 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575932287 950831486 /nfs/dbraw/zinc/83/14/86/950831486.db2.gz LNVPAODOIIGZJU-WPRPVWTQSA-N -1 1 383.372 0.064 20 0 GCADMM CC(C)(C)c1cnc(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)o1 ZINC001573885544 950832745 /nfs/dbraw/zinc/83/27/45/950832745.db2.gz YZMNCJKXDXFOHM-UHFFFAOYSA-N -1 1 388.388 0.121 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCN2CCCS2(=O)=O)n1 ZINC001573887424 950836329 /nfs/dbraw/zinc/83/63/29/950836329.db2.gz AEZPEILJULPRSR-UHFFFAOYSA-N -1 1 382.450 0.182 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCN2CCCS2(=O)=O)n1 ZINC001573887424 950836353 /nfs/dbraw/zinc/83/63/53/950836353.db2.gz AEZPEILJULPRSR-UHFFFAOYSA-N -1 1 382.450 0.182 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576220633 950836717 /nfs/dbraw/zinc/83/67/17/950836717.db2.gz RYATVVGPOOLJRD-QWRGUYRKSA-N -1 1 387.448 0.065 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576220633 950836741 /nfs/dbraw/zinc/83/67/41/950836741.db2.gz RYATVVGPOOLJRD-QWRGUYRKSA-N -1 1 387.448 0.065 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C)n1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574767118 950838089 /nfs/dbraw/zinc/83/80/89/950838089.db2.gz MBDQAPTUHCSAHE-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C)n1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574767118 950838113 /nfs/dbraw/zinc/83/81/13/950838113.db2.gz MBDQAPTUHCSAHE-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccnc(-c4nn[n-]n4)n3)c2C1 ZINC001576221035 950844395 /nfs/dbraw/zinc/84/43/95/950844395.db2.gz YXALFHJPSPOCSY-JTQLQIEISA-N -1 1 382.432 0.111 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2nonc2c1 ZINC001575934495 950863210 /nfs/dbraw/zinc/86/32/10/950863210.db2.gz SATDBDCOULHWMC-GXSJLCMTSA-N -1 1 392.383 0.908 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2nonc2c1 ZINC001575934495 950863229 /nfs/dbraw/zinc/86/32/29/950863229.db2.gz SATDBDCOULHWMC-GXSJLCMTSA-N -1 1 392.383 0.908 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767777 950869741 /nfs/dbraw/zinc/86/97/41/950869741.db2.gz QJZHBUMJGGHUHD-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767777 950869746 /nfs/dbraw/zinc/86/97/46/950869746.db2.gz QJZHBUMJGGHUHD-SNVBAGLBSA-N -1 1 385.436 0.576 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639556 950871491 /nfs/dbraw/zinc/87/14/91/950871491.db2.gz BYZWTDWWHUQKLV-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639556 950871500 /nfs/dbraw/zinc/87/15/00/950871500.db2.gz BYZWTDWWHUQKLV-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573888671 950874642 /nfs/dbraw/zinc/87/46/42/950874642.db2.gz YJPKWPWZWUISGQ-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573888671 950874659 /nfs/dbraw/zinc/87/46/59/950874659.db2.gz YJPKWPWZWUISGQ-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767981 950874996 /nfs/dbraw/zinc/87/49/96/950874996.db2.gz SEFMYOGXKXXOPR-SNVBAGLBSA-N -1 1 383.416 0.518 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575935428 950878257 /nfs/dbraw/zinc/87/82/57/950878257.db2.gz WIMBNZCKTWCKQL-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575935428 950878268 /nfs/dbraw/zinc/87/82/68/950878268.db2.gz WIMBNZCKTWCKQL-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935481 950884438 /nfs/dbraw/zinc/88/44/38/950884438.db2.gz WZPKYBWGAZFINV-SKDRFNHKSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935481 950884458 /nfs/dbraw/zinc/88/44/58/950884458.db2.gz WZPKYBWGAZFINV-SKDRFNHKSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1ccnc1 ZINC001575935674 950886356 /nfs/dbraw/zinc/88/63/56/950886356.db2.gz AAXGHJMCLMSYFI-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1ccnc1 ZINC001575935674 950886370 /nfs/dbraw/zinc/88/63/70/950886370.db2.gz AAXGHJMCLMSYFI-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639999 950887176 /nfs/dbraw/zinc/88/71/76/950887176.db2.gz FORVFEHLFADFFW-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639999 950887189 /nfs/dbraw/zinc/88/71/89/950887189.db2.gz FORVFEHLFADFFW-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCOC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640724 950900558 /nfs/dbraw/zinc/90/05/58/950900558.db2.gz KBTYRAJRPYNNKX-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCOC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640724 950900574 /nfs/dbraw/zinc/90/05/74/950900574.db2.gz KBTYRAJRPYNNKX-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001573893983 950913777 /nfs/dbraw/zinc/91/37/77/950913777.db2.gz HKQULOAFFVPACX-GFCCVEGCSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573893983 950913796 /nfs/dbraw/zinc/91/37/96/950913796.db2.gz HKQULOAFFVPACX-GFCCVEGCSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@H]1CN(C(=O)C2(C)CC2)C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576227520 950914112 /nfs/dbraw/zinc/91/41/12/950914112.db2.gz DKWAJVVUEJGHEC-SGTLLEGYSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C)CC2)C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)O1 ZINC001576227519 950915621 /nfs/dbraw/zinc/91/56/21/950915621.db2.gz DKWAJVVUEJGHEC-KZULUSFZSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001573894006 950917884 /nfs/dbraw/zinc/91/78/84/950917884.db2.gz INZRTWXXAAIIBQ-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001573894006 950917900 /nfs/dbraw/zinc/91/79/00/950917900.db2.gz INZRTWXXAAIIBQ-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573894017 950918382 /nfs/dbraw/zinc/91/83/82/950918382.db2.gz IYFYTICSFQXSTB-GFCCVEGCSA-N -1 1 382.432 0.357 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001573894098 950918833 /nfs/dbraw/zinc/91/88/33/950918833.db2.gz LNTCRWKLKQSFKH-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001573894098 950918852 /nfs/dbraw/zinc/91/88/52/950918852.db2.gz LNTCRWKLKQSFKH-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001573894135 950921921 /nfs/dbraw/zinc/92/19/21/950921921.db2.gz NFMCRRBUTCSTOD-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001573894135 950921934 /nfs/dbraw/zinc/92/19/34/950921934.db2.gz NFMCRRBUTCSTOD-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228140 950934285 /nfs/dbraw/zinc/93/42/85/950934285.db2.gz JFZFVGHBLYIQCE-MLGOLLRUSA-N -1 1 390.451 0.752 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001573894708 950936252 /nfs/dbraw/zinc/93/62/52/950936252.db2.gz YZUKSLNSYUZKKN-HAQNSBGRSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001573894708 950936265 /nfs/dbraw/zinc/93/62/65/950936265.db2.gz YZUKSLNSYUZKKN-HAQNSBGRSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001573894772 950939163 /nfs/dbraw/zinc/93/91/63/950939163.db2.gz ZMTSNGYRVZBZAS-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001573894772 950939179 /nfs/dbraw/zinc/93/91/79/950939179.db2.gz ZMTSNGYRVZBZAS-AOOOYVTPSA-N -1 1 383.420 0.376 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2ccn[nH]2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575642395 950941538 /nfs/dbraw/zinc/94/15/38/950941538.db2.gz UOZCAYBSCOPPSG-NSHDSACASA-N -1 1 382.432 0.805 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2ccn[nH]2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575642392 950942482 /nfs/dbraw/zinc/94/24/82/950942482.db2.gz UOZCAYBSCOPPSG-LLVKDONJSA-N -1 1 382.432 0.805 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575937278 950943213 /nfs/dbraw/zinc/94/32/13/950943213.db2.gz JUPIBFBWPVAKHA-QWRGUYRKSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575937278 950943220 /nfs/dbraw/zinc/94/32/20/950943220.db2.gz JUPIBFBWPVAKHA-QWRGUYRKSA-N -1 1 380.416 0.515 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642556 950946724 /nfs/dbraw/zinc/94/67/24/950946724.db2.gz IKMUGAMHPHJAHA-QWHCGFSZSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642556 950946744 /nfs/dbraw/zinc/94/67/44/950946744.db2.gz IKMUGAMHPHJAHA-QWHCGFSZSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642554 950948481 /nfs/dbraw/zinc/94/84/81/950948481.db2.gz IKMUGAMHPHJAHA-OLZOCXBDSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642554 950948501 /nfs/dbraw/zinc/94/85/01/950948501.db2.gz IKMUGAMHPHJAHA-OLZOCXBDSA-N -1 1 386.460 0.493 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C1CC1 ZINC001573897244 950956017 /nfs/dbraw/zinc/95/60/17/950956017.db2.gz NJCRKFPASVCURC-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C1CC1 ZINC001573897244 950956033 /nfs/dbraw/zinc/95/60/33/950956033.db2.gz NJCRKFPASVCURC-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1CC1 ZINC001573897256 950956754 /nfs/dbraw/zinc/95/67/54/950956754.db2.gz NUEKMQBLVPVHOG-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1CC1 ZINC001573897256 950956773 /nfs/dbraw/zinc/95/67/73/950956773.db2.gz NUEKMQBLVPVHOG-JSGCOSHPSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1CC1 ZINC001573897255 950957176 /nfs/dbraw/zinc/95/71/76/950957176.db2.gz NUEKMQBLVPVHOG-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1CC1 ZINC001573897255 950957188 /nfs/dbraw/zinc/95/71/88/950957188.db2.gz NUEKMQBLVPVHOG-GXTWGEPZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)C1CC1 ZINC001573898336 950975221 /nfs/dbraw/zinc/97/52/21/950975221.db2.gz ZNUCPKORUMHALT-QWHCGFSZSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)C1CC1 ZINC001573898336 950975229 /nfs/dbraw/zinc/97/52/29/950975229.db2.gz ZNUCPKORUMHALT-QWHCGFSZSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccn1 ZINC001575938439 950981741 /nfs/dbraw/zinc/98/17/41/950981741.db2.gz NMANUXWNEZMRCR-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccn1 ZINC001575938439 950981763 /nfs/dbraw/zinc/98/17/63/950981763.db2.gz NMANUXWNEZMRCR-QWHCGFSZSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576230015 950982224 /nfs/dbraw/zinc/98/22/24/950982224.db2.gz KYKUYOOPZKDHCH-PWSUYJOCSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576230015 950982241 /nfs/dbraw/zinc/98/22/41/950982241.db2.gz KYKUYOOPZKDHCH-PWSUYJOCSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@@H]1CC(=O)N(C)c2ccc(Nc3[nH]c(=O)n(C)c(=O)c3-c3nn[n-]n3)cc21 ZINC001575938544 950985046 /nfs/dbraw/zinc/98/50/46/950985046.db2.gz LNAMQCJOVYHEHB-MRVPVSSYSA-N -1 1 382.384 0.880 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573899833 950989798 /nfs/dbraw/zinc/98/97/98/950989798.db2.gz KVEBMHVKBFBCDC-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573899833 950989824 /nfs/dbraw/zinc/98/98/24/950989824.db2.gz KVEBMHVKBFBCDC-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575017377 950991353 /nfs/dbraw/zinc/99/13/53/950991353.db2.gz DRKSIYVWPRTQHD-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575017377 950991372 /nfs/dbraw/zinc/99/13/72/950991372.db2.gz DRKSIYVWPRTQHD-SNVBAGLBSA-N -1 1 381.400 0.234 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001575644686 950991791 /nfs/dbraw/zinc/99/17/91/950991791.db2.gz WKDIBYTUDNLTDK-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001575644686 950991803 /nfs/dbraw/zinc/99/18/03/950991803.db2.gz WKDIBYTUDNLTDK-SGTLLEGYSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575017421 950995957 /nfs/dbraw/zinc/99/59/57/950995957.db2.gz FURHYZJSNSPIFV-MRVPVSSYSA-N -1 1 375.343 0.642 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573900264 951002627 /nfs/dbraw/zinc/00/26/27/951002627.db2.gz XDUBETYLTRIIIU-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573900264 951002648 /nfs/dbraw/zinc/00/26/48/951002648.db2.gz XDUBETYLTRIIIU-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575019208 951035749 /nfs/dbraw/zinc/03/57/49/951035749.db2.gz SAWBJZPJFHESQN-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575019208 951035760 /nfs/dbraw/zinc/03/57/60/951035760.db2.gz SAWBJZPJFHESQN-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575019403 951037482 /nfs/dbraw/zinc/03/74/82/951037482.db2.gz SVDNBFIRAONLRN-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001575024484 951105393 /nfs/dbraw/zinc/10/53/93/951105393.db2.gz FOFOKYJWGWWFER-NSHDSACASA-N -1 1 383.416 0.491 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575024534 951106210 /nfs/dbraw/zinc/10/62/10/951106210.db2.gz GRADEQYKEWDWFU-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575024534 951106214 /nfs/dbraw/zinc/10/62/14/951106214.db2.gz GRADEQYKEWDWFU-NSHDSACASA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024850 951118553 /nfs/dbraw/zinc/11/85/53/951118553.db2.gz NZNXEIWYKKIDMW-NSHDSACASA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024850 951118558 /nfs/dbraw/zinc/11/85/58/951118558.db2.gz NZNXEIWYKKIDMW-NSHDSACASA-N -1 1 379.428 0.879 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575025000 951122688 /nfs/dbraw/zinc/12/26/88/951122688.db2.gz RHOXVHJFBMEABO-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575025000 951122695 /nfs/dbraw/zinc/12/26/95/951122695.db2.gz RHOXVHJFBMEABO-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025310 951128323 /nfs/dbraw/zinc/12/83/23/951128323.db2.gz XRBISVQMICXEOI-NSHDSACASA-N -1 1 380.412 0.942 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025310 951128330 /nfs/dbraw/zinc/12/83/30/951128330.db2.gz XRBISVQMICXEOI-NSHDSACASA-N -1 1 380.412 0.942 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575025348 951129960 /nfs/dbraw/zinc/12/99/60/951129960.db2.gz YHQUNVJIPNGTEC-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575025348 951129970 /nfs/dbraw/zinc/12/99/70/951129970.db2.gz YHQUNVJIPNGTEC-SNVBAGLBSA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575025328 951131020 /nfs/dbraw/zinc/13/10/20/951131020.db2.gz YAYODFOVGGPGLG-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575025328 951131028 /nfs/dbraw/zinc/13/10/28/951131028.db2.gz YAYODFOVGGPGLG-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025437 951131237 /nfs/dbraw/zinc/13/12/37/951131237.db2.gz ZHNOMOMPTJLDBQ-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025437 951131242 /nfs/dbraw/zinc/13/12/42/951131242.db2.gz ZHNOMOMPTJLDBQ-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cccc2nccn21)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026909 951148597 /nfs/dbraw/zinc/14/85/97/951148597.db2.gz AYEBVWNIVJLGPM-LLVKDONJSA-N -1 1 378.400 0.559 20 0 GCADMM C[C@H](CNC(=O)c1cccc2nccn21)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026909 951148605 /nfs/dbraw/zinc/14/86/05/951148605.db2.gz AYEBVWNIVJLGPM-LLVKDONJSA-N -1 1 378.400 0.559 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027510 951158331 /nfs/dbraw/zinc/15/83/31/951158331.db2.gz RAPYFHDWEAUMLZ-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1cccc2scnc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027978 951164626 /nfs/dbraw/zinc/16/46/26/951164626.db2.gz KIAYNOBPQWWAKY-SECBINFHSA-N -1 1 381.425 0.919 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575029011 951181525 /nfs/dbraw/zinc/18/15/25/951181525.db2.gz RFXMLJQREGCCTI-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575029011 951181531 /nfs/dbraw/zinc/18/15/31/951181531.db2.gz RFXMLJQREGCCTI-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029614 951186585 /nfs/dbraw/zinc/18/65/85/951186585.db2.gz WCHVQZLXNUEHTP-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029614 951186600 /nfs/dbraw/zinc/18/66/00/951186600.db2.gz WCHVQZLXNUEHTP-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575029404 951186707 /nfs/dbraw/zinc/18/67/07/951186707.db2.gz USRKJCTYEJEOGL-NSHDSACASA-N -1 1 380.412 0.492 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575033965 951235826 /nfs/dbraw/zinc/23/58/26/951235826.db2.gz FPBJDFBEWQUOPX-ZETCQYMHSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575034022 951239157 /nfs/dbraw/zinc/23/91/57/951239157.db2.gz HFKXRJRIHQRJJX-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575034022 951239168 /nfs/dbraw/zinc/23/91/68/951239168.db2.gz HFKXRJRIHQRJJX-LLVKDONJSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575034347 951243551 /nfs/dbraw/zinc/24/35/51/951243551.db2.gz ATUWIMKYEYGTFR-QMMMGPOBSA-N -1 1 378.347 0.148 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001575034828 951257276 /nfs/dbraw/zinc/25/72/76/951257276.db2.gz FEHAVGGPDQZBDO-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001575034828 951257282 /nfs/dbraw/zinc/25/72/82/951257282.db2.gz FEHAVGGPDQZBDO-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575035014 951264282 /nfs/dbraw/zinc/26/42/82/951264282.db2.gz SIROTZIXVIQKHG-LLVKDONJSA-N -1 1 382.432 0.306 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575035482 951276696 /nfs/dbraw/zinc/27/66/96/951276696.db2.gz IVTZUGQGYOUIFN-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575035482 951276709 /nfs/dbraw/zinc/27/67/09/951276709.db2.gz IVTZUGQGYOUIFN-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575036269 951292383 /nfs/dbraw/zinc/29/23/83/951292383.db2.gz QJZWDWDASDSZIR-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575036269 951292398 /nfs/dbraw/zinc/29/23/98/951292398.db2.gz QJZWDWDASDSZIR-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575041936 951351043 /nfs/dbraw/zinc/35/10/43/951351043.db2.gz CZSPMIVCUTVSDT-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575041936 951351055 /nfs/dbraw/zinc/35/10/55/951351055.db2.gz CZSPMIVCUTVSDT-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575042148 951356070 /nfs/dbraw/zinc/35/60/70/951356070.db2.gz GKROTNCCNQBPKG-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575042148 951356085 /nfs/dbraw/zinc/35/60/85/951356085.db2.gz GKROTNCCNQBPKG-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1nccnc1-c1nnn[n-]1 ZINC001575042263 951360190 /nfs/dbraw/zinc/36/01/90/951360190.db2.gz HSKCWPXNOAVGNL-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1nccnc1-c1nn[n-]n1 ZINC001575042263 951360206 /nfs/dbraw/zinc/36/02/06/951360206.db2.gz HSKCWPXNOAVGNL-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001575042441 951361533 /nfs/dbraw/zinc/36/15/33/951361533.db2.gz JPSZLCBJZRTULP-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001575042441 951361545 /nfs/dbraw/zinc/36/15/45/951361545.db2.gz JPSZLCBJZRTULP-SNVBAGLBSA-N -1 1 384.448 0.918 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575042576 951364914 /nfs/dbraw/zinc/36/49/14/951364914.db2.gz KXWMOYVVFXVUAT-SNVBAGLBSA-N -1 1 383.420 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575042576 951364927 /nfs/dbraw/zinc/36/49/27/951364927.db2.gz KXWMOYVVFXVUAT-SNVBAGLBSA-N -1 1 383.420 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575042743 951371126 /nfs/dbraw/zinc/37/11/26/951371126.db2.gz BHQNHUNSPPOERD-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575042743 951371138 /nfs/dbraw/zinc/37/11/38/951371138.db2.gz BHQNHUNSPPOERD-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575042716 951371472 /nfs/dbraw/zinc/37/14/72/951371472.db2.gz BCWYKUIGARMBSF-QWRGUYRKSA-N -1 1 382.432 0.403 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042785 951371732 /nfs/dbraw/zinc/37/17/32/951371732.db2.gz BRQGPQGESZIWBJ-JOYOIKCWSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042785 951371747 /nfs/dbraw/zinc/37/17/47/951371747.db2.gz BRQGPQGESZIWBJ-JOYOIKCWSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042784 951371918 /nfs/dbraw/zinc/37/19/18/951371918.db2.gz BRQGPQGESZIWBJ-CABZTGNLSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042784 951371934 /nfs/dbraw/zinc/37/19/34/951371934.db2.gz BRQGPQGESZIWBJ-CABZTGNLSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575043108 951380369 /nfs/dbraw/zinc/38/03/69/951380369.db2.gz PAKWQTZLTFZRRN-JTQLQIEISA-N -1 1 383.420 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575043108 951380381 /nfs/dbraw/zinc/38/03/81/951380381.db2.gz PAKWQTZLTFZRRN-JTQLQIEISA-N -1 1 383.420 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043326 951384971 /nfs/dbraw/zinc/38/49/71/951384971.db2.gz QCRACEJJBOUQDB-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575043269 951385261 /nfs/dbraw/zinc/38/52/61/951385261.db2.gz PMTYZHBLRUSYRO-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575043269 951385277 /nfs/dbraw/zinc/38/52/77/951385277.db2.gz PMTYZHBLRUSYRO-ZCFIWIBFSA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575043703 951402416 /nfs/dbraw/zinc/40/24/16/951402416.db2.gz MGYNBHSRRBALFC-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575043703 951402424 /nfs/dbraw/zinc/40/24/24/951402424.db2.gz MGYNBHSRRBALFC-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575044358 951414080 /nfs/dbraw/zinc/41/40/80/951414080.db2.gz RKHNDFJPRQEUDT-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575044358 951414087 /nfs/dbraw/zinc/41/40/87/951414087.db2.gz RKHNDFJPRQEUDT-JTQLQIEISA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575044586 951415669 /nfs/dbraw/zinc/41/56/69/951415669.db2.gz SMPYOLKSLPPDBT-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575044586 951415677 /nfs/dbraw/zinc/41/56/77/951415677.db2.gz SMPYOLKSLPPDBT-MRVPVSSYSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575044649 951417213 /nfs/dbraw/zinc/41/72/13/951417213.db2.gz UJMBLVKNGBAPPN-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575044649 951417225 /nfs/dbraw/zinc/41/72/25/951417225.db2.gz UJMBLVKNGBAPPN-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575044814 951418323 /nfs/dbraw/zinc/41/83/23/951418323.db2.gz VPGZPBAQZYFOJX-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575044814 951418332 /nfs/dbraw/zinc/41/83/32/951418332.db2.gz VPGZPBAQZYFOJX-JTQLQIEISA-N -1 1 380.416 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044973 951423279 /nfs/dbraw/zinc/42/32/79/951423279.db2.gz YJJJDDUMZTWRDQ-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044973 951423285 /nfs/dbraw/zinc/42/32/85/951423285.db2.gz YJJJDDUMZTWRDQ-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575045762 951433106 /nfs/dbraw/zinc/43/31/06/951433106.db2.gz HEFNXSVQWNPQGD-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575045762 951433124 /nfs/dbraw/zinc/43/31/24/951433124.db2.gz HEFNXSVQWNPQGD-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575045843 951435546 /nfs/dbraw/zinc/43/55/46/951435546.db2.gz JEHJQBKIIJFWPB-LLVKDONJSA-N -1 1 382.432 0.470 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575046898 951450698 /nfs/dbraw/zinc/45/06/98/951450698.db2.gz VFPUEIWXKVLBKO-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575046898 951450700 /nfs/dbraw/zinc/45/07/00/951450700.db2.gz VFPUEIWXKVLBKO-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052493 951466970 /nfs/dbraw/zinc/46/69/70/951466970.db2.gz KFAXRITULXPPFS-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052493 951466977 /nfs/dbraw/zinc/46/69/77/951466977.db2.gz KFAXRITULXPPFS-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1nccnc1-c1nnn[n-]1 ZINC001575052543 951469296 /nfs/dbraw/zinc/46/92/96/951469296.db2.gz LHKWZMAWVNGKPF-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1nccnc1-c1nn[n-]n1 ZINC001575052543 951469300 /nfs/dbraw/zinc/46/93/00/951469300.db2.gz LHKWZMAWVNGKPF-MRVPVSSYSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1nccnc1-c1nnn[n-]1 ZINC001575052544 951469813 /nfs/dbraw/zinc/46/98/13/951469813.db2.gz LHKWZMAWVNGKPF-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1nccnc1-c1nn[n-]n1 ZINC001575052544 951469821 /nfs/dbraw/zinc/46/98/21/951469821.db2.gz LHKWZMAWVNGKPF-QMMMGPOBSA-N -1 1 392.374 0.806 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575053699 951480744 /nfs/dbraw/zinc/48/07/44/951480744.db2.gz UOXNLDXADVKFCA-NSHDSACASA-N -1 1 384.448 0.863 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575053651 951480790 /nfs/dbraw/zinc/48/07/90/951480790.db2.gz SXNSUMVJYPTZPT-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575053651 951480795 /nfs/dbraw/zinc/48/07/95/951480795.db2.gz SXNSUMVJYPTZPT-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575054774 951498267 /nfs/dbraw/zinc/49/82/67/951498267.db2.gz KWZWNKVULVECJG-LLVKDONJSA-N -1 1 382.432 0.518 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575054774 951498273 /nfs/dbraw/zinc/49/82/73/951498273.db2.gz KWZWNKVULVECJG-LLVKDONJSA-N -1 1 382.432 0.518 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575055563 951508907 /nfs/dbraw/zinc/50/89/07/951508907.db2.gz XHIAOIYAKUUYOQ-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575055563 951508912 /nfs/dbraw/zinc/50/89/12/951508912.db2.gz XHIAOIYAKUUYOQ-NSHDSACASA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575056985 951524785 /nfs/dbraw/zinc/52/47/85/951524785.db2.gz NNHNNQGZAXZFCU-JTQLQIEISA-N -1 1 383.416 0.812 20 0 GCADMM C[C@@H](CNC(=O)c1coc(=O)c2ccccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575057889 951533247 /nfs/dbraw/zinc/53/32/47/951533247.db2.gz SJYSNMVYKFMHPB-JTQLQIEISA-N -1 1 392.379 0.994 20 0 GCADMM C[C@@H](CNC(=O)c1coc(=O)c2ccccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575057889 951533252 /nfs/dbraw/zinc/53/32/52/951533252.db2.gz SJYSNMVYKFMHPB-JTQLQIEISA-N -1 1 392.379 0.994 20 0 GCADMM C[C@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575059372 951543889 /nfs/dbraw/zinc/54/38/89/951543889.db2.gz ZXBWEMXMIADNFV-ZCFIWIBFSA-N -1 1 383.294 0.316 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575060956 951552844 /nfs/dbraw/zinc/55/28/44/951552844.db2.gz KIUGXRJRTBDKCK-MRVPVSSYSA-N -1 1 375.343 0.230 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575060969 951553402 /nfs/dbraw/zinc/55/34/02/951553402.db2.gz KKWVSYMSCLKTBU-JTQLQIEISA-N -1 1 382.432 0.159 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575061624 951561462 /nfs/dbraw/zinc/56/14/62/951561462.db2.gz OUECLUWDTZTWFU-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575061624 951561465 /nfs/dbraw/zinc/56/14/65/951561465.db2.gz OUECLUWDTZTWFU-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575061902 951562777 /nfs/dbraw/zinc/56/27/77/951562777.db2.gz QOUHSIDPQBODDM-JTQLQIEISA-N -1 1 382.432 0.513 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575061902 951562784 /nfs/dbraw/zinc/56/27/84/951562784.db2.gz QOUHSIDPQBODDM-JTQLQIEISA-N -1 1 382.432 0.513 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575062471 951569195 /nfs/dbraw/zinc/56/91/95/951569195.db2.gz WLTJXRBIELBGKI-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575062471 951569215 /nfs/dbraw/zinc/56/92/15/951569215.db2.gz WLTJXRBIELBGKI-QMMMGPOBSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575062823 951573384 /nfs/dbraw/zinc/57/33/84/951573384.db2.gz ZAYWMORRLTZSCF-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575062823 951573392 /nfs/dbraw/zinc/57/33/92/951573392.db2.gz ZAYWMORRLTZSCF-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575064636 951575194 /nfs/dbraw/zinc/57/51/94/951575194.db2.gz BQJUJWKHBZPNPH-JTQLQIEISA-N -1 1 384.400 0.577 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575064850 951578448 /nfs/dbraw/zinc/57/84/48/951578448.db2.gz DUIBPLKHZGYHIF-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575064850 951578463 /nfs/dbraw/zinc/57/84/63/951578463.db2.gz DUIBPLKHZGYHIF-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1nncc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575064761 951579892 /nfs/dbraw/zinc/57/98/92/951579892.db2.gz DBDKCTHNUWDSEH-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1nncc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575064761 951579901 /nfs/dbraw/zinc/57/99/01/951579901.db2.gz DBDKCTHNUWDSEH-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1nccnc1N)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065264 951581717 /nfs/dbraw/zinc/58/17/17/951581717.db2.gz AWRWZPHCJAWRNX-YFKPBYRVSA-N -1 1 380.825 0.579 20 0 GCADMM C[C@@H](CNC(=O)c1nccnc1N)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065264 951581730 /nfs/dbraw/zinc/58/17/30/951581730.db2.gz AWRWZPHCJAWRNX-YFKPBYRVSA-N -1 1 380.825 0.579 20 0 GCADMM C[C@H](CNC(=O)c1ncnc2sccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575065308 951583292 /nfs/dbraw/zinc/58/32/92/951583292.db2.gz BGVDVOGNVUAFPE-MRVPVSSYSA-N -1 1 382.413 0.892 20 0 GCADMM C[C@H](CNC(=O)c1ncnc2sccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575065308 951583298 /nfs/dbraw/zinc/58/32/98/951583298.db2.gz BGVDVOGNVUAFPE-MRVPVSSYSA-N -1 1 382.413 0.892 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575065996 951591453 /nfs/dbraw/zinc/59/14/53/951591453.db2.gz JMNCYKSVKDYGAJ-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575065996 951591459 /nfs/dbraw/zinc/59/14/59/951591459.db2.gz JMNCYKSVKDYGAJ-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575067208 951605152 /nfs/dbraw/zinc/60/51/52/951605152.db2.gz KGQATNIKPMKTCC-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575067208 951605158 /nfs/dbraw/zinc/60/51/58/951605158.db2.gz KGQATNIKPMKTCC-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067292 951606210 /nfs/dbraw/zinc/60/62/10/951606210.db2.gz QJJKMYJCFHGRIJ-JTQLQIEISA-N -1 1 384.400 0.222 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067293 951607155 /nfs/dbraw/zinc/60/71/55/951607155.db2.gz QJJKMYJCFHGRIJ-SNVBAGLBSA-N -1 1 384.400 0.222 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575067530 951613337 /nfs/dbraw/zinc/61/33/37/951613337.db2.gz UWRMLHIAWPJYEX-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575067530 951613345 /nfs/dbraw/zinc/61/33/45/951613345.db2.gz UWRMLHIAWPJYEX-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575067722 951620760 /nfs/dbraw/zinc/62/07/60/951620760.db2.gz OVTLQQLYXSBFJU-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575067722 951620767 /nfs/dbraw/zinc/62/07/67/951620767.db2.gz OVTLQQLYXSBFJU-LURJTMIESA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575067747 951620997 /nfs/dbraw/zinc/62/09/97/951620997.db2.gz XOAMOLAPNXYYMZ-KOLCDFICSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575067747 951621003 /nfs/dbraw/zinc/62/10/03/951621003.db2.gz XOAMOLAPNXYYMZ-KOLCDFICSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575067816 951623979 /nfs/dbraw/zinc/62/39/79/951623979.db2.gz ZRNSFRODKSMRTE-JTQLQIEISA-N -1 1 384.400 0.577 20 0 GCADMM C[C@@H](CNC(=O)c1occ2c1CCOC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575067816 951623987 /nfs/dbraw/zinc/62/39/87/951623987.db2.gz ZRNSFRODKSMRTE-JTQLQIEISA-N -1 1 384.400 0.577 20 0 GCADMM C[C@H](CNC(=O)c1scc2c1OCCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575068586 951635998 /nfs/dbraw/zinc/63/59/98/951635998.db2.gz BNIVLAPYRKGAOP-MRVPVSSYSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@H](CNC(=O)c1scc2c1OCCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575068586 951636003 /nfs/dbraw/zinc/63/60/03/951636003.db2.gz BNIVLAPYRKGAOP-MRVPVSSYSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575068615 951636575 /nfs/dbraw/zinc/63/65/75/951636575.db2.gz CGNIOAIYZSQCSN-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575068615 951636583 /nfs/dbraw/zinc/63/65/83/951636583.db2.gz CGNIOAIYZSQCSN-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1scc2c1OCCO2)Nc1nccnc1-c1nnn[n-]1 ZINC001575068827 951638269 /nfs/dbraw/zinc/63/82/69/951638269.db2.gz CXBMJBYVLVSJPN-MRVPVSSYSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@H](CNC(=O)c1scc2c1OCCO2)Nc1nccnc1-c1nn[n-]n1 ZINC001575068827 951638275 /nfs/dbraw/zinc/63/82/75/951638275.db2.gz CXBMJBYVLVSJPN-MRVPVSSYSA-N -1 1 388.413 0.720 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575071304 951658413 /nfs/dbraw/zinc/65/84/13/951658413.db2.gz ZKLPVBFYIDWJPD-MRVPVSSYSA-N -1 1 386.445 0.864 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575071304 951658418 /nfs/dbraw/zinc/65/84/18/951658418.db2.gz ZKLPVBFYIDWJPD-MRVPVSSYSA-N -1 1 386.445 0.864 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)CSc2n[nH]c(=S)s2)C1=O ZINC001595090894 951772755 /nfs/dbraw/zinc/77/27/55/951772755.db2.gz UHNIEGKBDNDURB-ZETCQYMHSA-N -1 1 376.485 0.501 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)C1=O ZINC001595091290 951777186 /nfs/dbraw/zinc/77/71/86/951777186.db2.gz PCONAEVADRBPDA-IHRRRGAJSA-N -1 1 384.502 0.331 20 0 GCADMM O=C([O-])COc1ccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC001595118363 951955566 /nfs/dbraw/zinc/95/55/66/951955566.db2.gz CXCSUNZWZNEPSG-UHFFFAOYSA-N -1 1 378.425 0.449 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575128179 952064166 /nfs/dbraw/zinc/06/41/66/952064166.db2.gz GHMDNTNPDIVJFX-KRWDZBQOSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575128179 952064174 /nfs/dbraw/zinc/06/41/74/952064174.db2.gz GHMDNTNPDIVJFX-KRWDZBQOSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575128451 952067912 /nfs/dbraw/zinc/06/79/12/952067912.db2.gz ITYSKULPBKUUAM-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575128451 952067923 /nfs/dbraw/zinc/06/79/23/952067923.db2.gz ITYSKULPBKUUAM-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575129575 952081374 /nfs/dbraw/zinc/08/13/74/952081374.db2.gz VYYOQYVUBLITJR-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575129575 952081381 /nfs/dbraw/zinc/08/13/81/952081381.db2.gz VYYOQYVUBLITJR-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575129614 952084990 /nfs/dbraw/zinc/08/49/90/952084990.db2.gz XLXODFNZCIITSY-LJMKFJKQSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575129614 952084997 /nfs/dbraw/zinc/08/49/97/952084997.db2.gz XLXODFNZCIITSY-LJMKFJKQSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575131798 952088110 /nfs/dbraw/zinc/08/81/10/952088110.db2.gz BOCDZCACSOAXEG-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575131798 952088116 /nfs/dbraw/zinc/08/81/16/952088116.db2.gz BOCDZCACSOAXEG-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575131728 952089141 /nfs/dbraw/zinc/08/91/41/952089141.db2.gz ATUPONTVHYPQEX-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575132554 952095322 /nfs/dbraw/zinc/09/53/22/952095322.db2.gz GFQMUXPXIFIHEG-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575132554 952095334 /nfs/dbraw/zinc/09/53/34/952095334.db2.gz GFQMUXPXIFIHEG-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575133028 952099723 /nfs/dbraw/zinc/09/97/23/952099723.db2.gz JLNBJFDPTVPXBM-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575133028 952099732 /nfs/dbraw/zinc/09/97/32/952099732.db2.gz JLNBJFDPTVPXBM-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575134386 952110549 /nfs/dbraw/zinc/11/05/49/952110549.db2.gz HNQWJPZHXZIPBE-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575134386 952110554 /nfs/dbraw/zinc/11/05/54/952110554.db2.gz HNQWJPZHXZIPBE-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575134704 952111969 /nfs/dbraw/zinc/11/19/69/952111969.db2.gz OKELQMMRBNQGNH-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575134704 952111973 /nfs/dbraw/zinc/11/19/73/952111973.db2.gz OKELQMMRBNQGNH-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575135576 952119912 /nfs/dbraw/zinc/11/99/12/952119912.db2.gz LNDWKHIGZWRIDW-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575135576 952119918 /nfs/dbraw/zinc/11/99/18/952119918.db2.gz LNDWKHIGZWRIDW-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575136957 952130746 /nfs/dbraw/zinc/13/07/46/952130746.db2.gz YHACZQUKVIOXNV-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575136957 952130751 /nfs/dbraw/zinc/13/07/51/952130751.db2.gz YHACZQUKVIOXNV-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575136932 952131267 /nfs/dbraw/zinc/13/12/67/952131267.db2.gz RZWSNSOOKGLKPO-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575136932 952131273 /nfs/dbraw/zinc/13/12/73/952131273.db2.gz RZWSNSOOKGLKPO-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575136993 952132232 /nfs/dbraw/zinc/13/22/32/952132232.db2.gz YXRXYTNPQNFXIO-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575136993 952132237 /nfs/dbraw/zinc/13/22/37/952132237.db2.gz YXRXYTNPQNFXIO-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575137062 952134553 /nfs/dbraw/zinc/13/45/53/952134553.db2.gz SQVWATCNPGDRLX-SFHVURJKSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575139714 952140630 /nfs/dbraw/zinc/14/06/30/952140630.db2.gz BDSVKAWKNUKTPE-QGZVFWFLSA-N -1 1 383.391 0.623 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575139853 952142608 /nfs/dbraw/zinc/14/26/08/952142608.db2.gz CQAKWWHEIJCPEZ-CHWSQXEVSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575142213 952146106 /nfs/dbraw/zinc/14/61/06/952146106.db2.gz KGUQXHWRMCJTED-TZMCWYRMSA-N -1 1 384.419 0.918 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575142724 952148358 /nfs/dbraw/zinc/14/83/58/952148358.db2.gz LESOBEQOOHVWBP-CHWSQXEVSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575143628 952154104 /nfs/dbraw/zinc/15/41/04/952154104.db2.gz BTNUSELETGWTIN-LLVKDONJSA-N -1 1 382.432 0.258 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575143601 952155078 /nfs/dbraw/zinc/15/50/78/952155078.db2.gz BLKXRDURPJAQNH-ZETCQYMHSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575143629 952156004 /nfs/dbraw/zinc/15/60/04/952156004.db2.gz BTNUSELETGWTIN-NSHDSACASA-N -1 1 382.432 0.258 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575143811 952158172 /nfs/dbraw/zinc/15/81/72/952158172.db2.gz CSSTWKBSNUXRHN-JTQLQIEISA-N -1 1 383.416 0.592 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575144353 952166152 /nfs/dbraw/zinc/16/61/52/952166152.db2.gz HVEYXWZZTRTGCW-SNVBAGLBSA-N -1 1 384.448 0.672 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575144491 952167863 /nfs/dbraw/zinc/16/78/63/952167863.db2.gz IYAVIQFBZYLOSJ-NSHDSACASA-N -1 1 384.448 0.603 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575144614 952169447 /nfs/dbraw/zinc/16/94/47/952169447.db2.gz JNBWVMYLVLCXRN-ZETCQYMHSA-N -1 1 378.347 0.312 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC001575144760 952170336 /nfs/dbraw/zinc/17/03/36/952170336.db2.gz XWCWZBYIQLCQNY-FRIZHTMISA-N -1 1 398.471 0.591 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575144707 952171218 /nfs/dbraw/zinc/17/12/18/952171218.db2.gz XNBKIIAAMAEZEV-KRWDZBQOSA-N -1 1 382.432 0.062 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575144798 952172234 /nfs/dbraw/zinc/17/22/34/952172234.db2.gz LSMDMZLEYLMHAS-SNVBAGLBSA-N -1 1 382.432 0.262 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575144827 952172359 /nfs/dbraw/zinc/17/23/59/952172359.db2.gz XYZNTMWDTDCASH-QGZVFWFLSA-N -1 1 383.416 0.396 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2nonc2c1 ZINC001575144793 952172653 /nfs/dbraw/zinc/17/26/53/952172653.db2.gz LOZJMHZGZUAWFA-SECBINFHSA-N -1 1 380.372 0.187 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575144972 952175929 /nfs/dbraw/zinc/17/59/29/952175929.db2.gz ZTKQQTPEWFYWLT-OAHLLOKOSA-N -1 1 387.429 0.251 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2ccccc2n1 ZINC001575145107 952178322 /nfs/dbraw/zinc/17/83/22/952178322.db2.gz QAPTVTWTVOQTBL-LLVKDONJSA-N -1 1 378.400 0.299 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575145460 952184567 /nfs/dbraw/zinc/18/45/67/952184567.db2.gz XYJYRAAQFAYBDY-NSHDSACASA-N -1 1 384.448 0.603 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575145472 952185106 /nfs/dbraw/zinc/18/51/06/952185106.db2.gz YERGBGZBQFJZOG-QMMMGPOBSA-N -1 1 386.445 0.380 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575146203 952191088 /nfs/dbraw/zinc/19/10/88/952191088.db2.gz HYDYAFUUNGPNSB-HOTGVXAUSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575146203 952191093 /nfs/dbraw/zinc/19/10/93/952191093.db2.gz HYDYAFUUNGPNSB-HOTGVXAUSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575146860 952197877 /nfs/dbraw/zinc/19/78/77/952197877.db2.gz PDFNFEDRAHNBMJ-GTNSWQLSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575146860 952197881 /nfs/dbraw/zinc/19/78/81/952197881.db2.gz PDFNFEDRAHNBMJ-GTNSWQLSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575147437 952199965 /nfs/dbraw/zinc/19/99/65/952199965.db2.gz TWZQKTNBCRFLPV-QGZVFWFLSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC1OCCCO1)C1CC1 ZINC001575147437 952199967 /nfs/dbraw/zinc/19/99/67/952199967.db2.gz TWZQKTNBCRFLPV-QGZVFWFLSA-N -1 1 388.432 0.507 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575152996 952204608 /nfs/dbraw/zinc/20/46/08/952204608.db2.gz BTDIXWXBROZWLW-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575152996 952204611 /nfs/dbraw/zinc/20/46/11/952204611.db2.gz BTDIXWXBROZWLW-GTNSWQLSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575153204 952206895 /nfs/dbraw/zinc/20/68/95/952206895.db2.gz FFGIYPRVCQHERH-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575153204 952206902 /nfs/dbraw/zinc/20/69/02/952206902.db2.gz FFGIYPRVCQHERH-LLVKDONJSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575153543 952209702 /nfs/dbraw/zinc/20/97/02/952209702.db2.gz IELGOAQKMGNDDK-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575153982 952214517 /nfs/dbraw/zinc/21/45/17/952214517.db2.gz NARPNQCXGJAVHL-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575153982 952214526 /nfs/dbraw/zinc/21/45/26/952214526.db2.gz NARPNQCXGJAVHL-INIZCTEOSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575154013 952216960 /nfs/dbraw/zinc/21/69/60/952216960.db2.gz NRACDTPKJMRMKK-QDTBLXIISA-N -1 1 384.444 0.921 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575154013 952216965 /nfs/dbraw/zinc/21/69/65/952216965.db2.gz NRACDTPKJMRMKK-QDTBLXIISA-N -1 1 384.444 0.921 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575154241 952217481 /nfs/dbraw/zinc/21/74/81/952217481.db2.gz QNKCQLJZUFXTCW-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575154241 952217486 /nfs/dbraw/zinc/21/74/86/952217486.db2.gz QNKCQLJZUFXTCW-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575154287 952219376 /nfs/dbraw/zinc/21/93/76/952219376.db2.gz APOFYIMKWPKLIY-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575154287 952219380 /nfs/dbraw/zinc/21/93/80/952219380.db2.gz APOFYIMKWPKLIY-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575154458 952223580 /nfs/dbraw/zinc/22/35/80/952223580.db2.gz DUKRPXJRIGVDMA-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575154458 952223584 /nfs/dbraw/zinc/22/35/84/952223584.db2.gz DUKRPXJRIGVDMA-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575154536 952226511 /nfs/dbraw/zinc/22/65/11/952226511.db2.gz RXVMMUGLRZJASJ-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1snnc1C1CC1 ZINC001575154646 952227240 /nfs/dbraw/zinc/22/72/40/952227240.db2.gz GUMOHAISEMNIQZ-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1snnc1C1CC1 ZINC001575154646 952227250 /nfs/dbraw/zinc/22/72/50/952227250.db2.gz GUMOHAISEMNIQZ-QMMMGPOBSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575154690 952230125 /nfs/dbraw/zinc/23/01/25/952230125.db2.gz UOSQYUYUGYCYTB-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575154690 952230130 /nfs/dbraw/zinc/23/01/30/952230130.db2.gz UOSQYUYUGYCYTB-MRXNPFEDSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575155556 952241835 /nfs/dbraw/zinc/24/18/35/952241835.db2.gz NGMRWMSVHUZYDP-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575155556 952241838 /nfs/dbraw/zinc/24/18/38/952241838.db2.gz NGMRWMSVHUZYDP-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575155612 952242600 /nfs/dbraw/zinc/24/26/00/952242600.db2.gz OFQPOCDPYUAPPG-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575155612 952242604 /nfs/dbraw/zinc/24/26/04/952242604.db2.gz OFQPOCDPYUAPPG-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575155574 952242715 /nfs/dbraw/zinc/24/27/15/952242715.db2.gz NQIPLEGOLDIIFN-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575155574 952242720 /nfs/dbraw/zinc/24/27/20/952242720.db2.gz NQIPLEGOLDIIFN-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575155994 952246957 /nfs/dbraw/zinc/24/69/57/952246957.db2.gz QKAFOKBPBABMKW-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575155994 952246961 /nfs/dbraw/zinc/24/69/61/952246961.db2.gz QKAFOKBPBABMKW-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc2nccn2c1 ZINC001575156705 952257139 /nfs/dbraw/zinc/25/71/39/952257139.db2.gz HQOLTXYQWUVWEH-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2nccn2c1 ZINC001575156705 952257146 /nfs/dbraw/zinc/25/71/46/952257146.db2.gz HQOLTXYQWUVWEH-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575157332 952263797 /nfs/dbraw/zinc/26/37/97/952263797.db2.gz LHQRAVBMURTSCA-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575157332 952263803 /nfs/dbraw/zinc/26/38/03/952263803.db2.gz LHQRAVBMURTSCA-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575157643 952266422 /nfs/dbraw/zinc/26/64/22/952266422.db2.gz NYMAKHFJIPASSL-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575157643 952266428 /nfs/dbraw/zinc/26/64/28/952266428.db2.gz NYMAKHFJIPASSL-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575158321 952270086 /nfs/dbraw/zinc/27/00/86/952270086.db2.gz SXFSZMPJLLNUGU-ZETCQYMHSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575158321 952270098 /nfs/dbraw/zinc/27/00/98/952270098.db2.gz SXFSZMPJLLNUGU-ZETCQYMHSA-N -1 1 378.347 0.890 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575158572 952273082 /nfs/dbraw/zinc/27/30/82/952273082.db2.gz WKEQQUYEQUJKIB-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575158572 952273087 /nfs/dbraw/zinc/27/30/87/952273087.db2.gz WKEQQUYEQUJKIB-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575158594 952273784 /nfs/dbraw/zinc/27/37/84/952273784.db2.gz WOIUGNSCHOJWJU-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575158594 952273788 /nfs/dbraw/zinc/27/37/88/952273788.db2.gz WOIUGNSCHOJWJU-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ncn(C)n1 ZINC001575164113 952287212 /nfs/dbraw/zinc/28/72/12/952287212.db2.gz BQPNYBZOPWFEGP-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1nnc[nH]1 ZINC001575164320 952291998 /nfs/dbraw/zinc/29/19/98/952291998.db2.gz CZYGODNBJQPCFJ-LURJTMIESA-N -1 1 382.841 0.596 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)nn1 ZINC001575164414 952293994 /nfs/dbraw/zinc/29/39/94/952293994.db2.gz DWNHMXBKFJQNOT-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cn(C)nn1 ZINC001575164414 952294000 /nfs/dbraw/zinc/29/40/00/952294000.db2.gz DWNHMXBKFJQNOT-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnnn1C ZINC001575164408 952294116 /nfs/dbraw/zinc/29/41/16/952294116.db2.gz DVEKVCBFIMKOOS-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnnn1C ZINC001575164408 952294120 /nfs/dbraw/zinc/29/41/20/952294120.db2.gz DVEKVCBFIMKOOS-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1cncn1 ZINC001575165293 952306300 /nfs/dbraw/zinc/30/63/00/952306300.db2.gz MWYSIEGDHYFBSO-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1cncn1 ZINC001575165293 952306306 /nfs/dbraw/zinc/30/63/06/952306306.db2.gz MWYSIEGDHYFBSO-SSDOTTSWSA-N -1 1 382.841 0.527 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnn(C)n1 ZINC001575165651 952311261 /nfs/dbraw/zinc/31/12/61/952311261.db2.gz QISKPXYYZWKKJN-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1COCCO1 ZINC001575165953 952318027 /nfs/dbraw/zinc/31/80/27/952318027.db2.gz RITWMMGALUTUJE-JGVFFNPUSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1COCCO1 ZINC001575165953 952318033 /nfs/dbraw/zinc/31/80/33/952318033.db2.gz RITWMMGALUTUJE-JGVFFNPUSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575165955 952318154 /nfs/dbraw/zinc/31/81/54/952318154.db2.gz RITWMMGALUTUJE-SFYZADRCSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575165955 952318160 /nfs/dbraw/zinc/31/81/60/952318160.db2.gz RITWMMGALUTUJE-SFYZADRCSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575166269 952323170 /nfs/dbraw/zinc/32/31/70/952323170.db2.gz UGQJNNSLZZAECN-YUMQZZPRSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1nnn(C)n1 ZINC001575166729 952328064 /nfs/dbraw/zinc/32/80/64/952328064.db2.gz XZGDTMJGBUQPLO-YFKPBYRVSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1nnn(C)n1 ZINC001575166728 952328424 /nfs/dbraw/zinc/32/84/24/952328424.db2.gz XZGDTMJGBUQPLO-RXMQYKEDSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575166787 952329648 /nfs/dbraw/zinc/32/96/48/952329648.db2.gz ZDEPPULRXACGDP-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575173863 952357717 /nfs/dbraw/zinc/35/77/17/952357717.db2.gz BQGIQJRPUGJDJX-OAHLLOKOSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575173863 952357724 /nfs/dbraw/zinc/35/77/24/952357724.db2.gz BQGIQJRPUGJDJX-OAHLLOKOSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575173926 952359657 /nfs/dbraw/zinc/35/96/57/952359657.db2.gz CXWWPUSEQVCFLN-APPDUMDISA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575173926 952359663 /nfs/dbraw/zinc/35/96/63/952359663.db2.gz CXWWPUSEQVCFLN-APPDUMDISA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575173980 952361789 /nfs/dbraw/zinc/36/17/89/952361789.db2.gz DSYUCKZFVRFWJU-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575173980 952361795 /nfs/dbraw/zinc/36/17/95/952361795.db2.gz DSYUCKZFVRFWJU-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575174272 952368507 /nfs/dbraw/zinc/36/85/07/952368507.db2.gz KZEBOVCGENHKKD-LJMKFJKQSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575174272 952368515 /nfs/dbraw/zinc/36/85/15/952368515.db2.gz KZEBOVCGENHKKD-LJMKFJKQSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575174285 952370037 /nfs/dbraw/zinc/37/00/37/952370037.db2.gz LCSVUPRCEFVJEI-WDEREUQCSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575174285 952370044 /nfs/dbraw/zinc/37/00/44/952370044.db2.gz LCSVUPRCEFVJEI-WDEREUQCSA-N -1 1 382.432 0.759 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575174390 952371545 /nfs/dbraw/zinc/37/15/45/952371545.db2.gz NOWBCEANKJTIHA-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575174390 952371551 /nfs/dbraw/zinc/37/15/51/952371551.db2.gz NOWBCEANKJTIHA-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575174361 952371655 /nfs/dbraw/zinc/37/16/55/952371655.db2.gz MWYPTZPPSNQKFZ-HOTGVXAUSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001575174361 952371658 /nfs/dbraw/zinc/37/16/58/952371658.db2.gz MWYPTZPPSNQKFZ-HOTGVXAUSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575174362 952371685 /nfs/dbraw/zinc/37/16/85/952371685.db2.gz MWYPTZPPSNQKFZ-HZPDHXFCSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001575174362 952371692 /nfs/dbraw/zinc/37/16/92/952371692.db2.gz MWYPTZPPSNQKFZ-HZPDHXFCSA-N -1 1 376.396 0.482 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575174464 952373524 /nfs/dbraw/zinc/37/35/24/952373524.db2.gz ORYOYFDGWJATGD-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575174464 952373531 /nfs/dbraw/zinc/37/35/31/952373531.db2.gz ORYOYFDGWJATGD-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575174530 952374779 /nfs/dbraw/zinc/37/47/79/952374779.db2.gz QGHYKALXQYUSFL-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575174530 952374785 /nfs/dbraw/zinc/37/47/85/952374785.db2.gz QGHYKALXQYUSFL-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575174531 952375764 /nfs/dbraw/zinc/37/57/64/952375764.db2.gz QGHYKALXQYUSFL-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575174531 952375773 /nfs/dbraw/zinc/37/57/73/952375773.db2.gz QGHYKALXQYUSFL-ZJUUUORDSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575174607 952376253 /nfs/dbraw/zinc/37/62/53/952376253.db2.gz AJGSYEIORAKZPR-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575174607 952376259 /nfs/dbraw/zinc/37/62/59/952376259.db2.gz AJGSYEIORAKZPR-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575174669 952376650 /nfs/dbraw/zinc/37/66/50/952376650.db2.gz BYGBYDYTNGCSSM-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575174669 952376658 /nfs/dbraw/zinc/37/66/58/952376658.db2.gz BYGBYDYTNGCSSM-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C(C)(C)C(N)=O ZINC001575174605 952377168 /nfs/dbraw/zinc/37/71/68/952377168.db2.gz AJFOVDQPTBOTAN-ZCFIWIBFSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C(C)(C)C(N)=O ZINC001575174605 952377176 /nfs/dbraw/zinc/37/71/76/952377176.db2.gz AJFOVDQPTBOTAN-ZCFIWIBFSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CN1CCCCCC1=O ZINC001575174925 952381685 /nfs/dbraw/zinc/38/16/85/952381685.db2.gz ULJPGJHFKWJEFX-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575174925 952381690 /nfs/dbraw/zinc/38/16/90/952381690.db2.gz ULJPGJHFKWJEFX-GFCCVEGCSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575177163 952399321 /nfs/dbraw/zinc/39/93/21/952399321.db2.gz GWNGNNBWELDDIN-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575177163 952399329 /nfs/dbraw/zinc/39/93/29/952399329.db2.gz GWNGNNBWELDDIN-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575177201 952399663 /nfs/dbraw/zinc/39/96/63/952399663.db2.gz HEBYHZKJLGRABH-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575177201 952399668 /nfs/dbraw/zinc/39/96/68/952399668.db2.gz HEBYHZKJLGRABH-BQBZGAKWSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1snnc1C1CC1 ZINC001575177486 952400776 /nfs/dbraw/zinc/40/07/76/952400776.db2.gz HTMRBOCSOBGUGV-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575177486 952400784 /nfs/dbraw/zinc/40/07/84/952400784.db2.gz HTMRBOCSOBGUGV-MRVPVSSYSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc2nccnc2c1 ZINC001575177827 952403569 /nfs/dbraw/zinc/40/35/69/952403569.db2.gz KCZJBRQNBPXDBC-JTQLQIEISA-N -1 1 391.399 0.568 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc2nccnc2c1 ZINC001575177827 952403576 /nfs/dbraw/zinc/40/35/76/952403576.db2.gz KCZJBRQNBPXDBC-JTQLQIEISA-N -1 1 391.399 0.568 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1N(C)C ZINC001575178100 952404014 /nfs/dbraw/zinc/40/40/14/952404014.db2.gz KGHPWLGECBARMG-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1N(C)C ZINC001575178100 952404020 /nfs/dbraw/zinc/40/40/20/952404020.db2.gz KGHPWLGECBARMG-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575179442 952410685 /nfs/dbraw/zinc/41/06/85/952410685.db2.gz OVRVUBWTDDVBID-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575179442 952410688 /nfs/dbraw/zinc/41/06/88/952410688.db2.gz OVRVUBWTDDVBID-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575180192 952415758 /nfs/dbraw/zinc/41/57/58/952415758.db2.gz SYZHOPRUCAJPGO-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575180192 952415761 /nfs/dbraw/zinc/41/57/61/952415761.db2.gz SYZHOPRUCAJPGO-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575180227 952417059 /nfs/dbraw/zinc/41/70/59/952417059.db2.gz UEUYQHQZPBXQRF-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575180227 952417060 /nfs/dbraw/zinc/41/70/60/952417060.db2.gz UEUYQHQZPBXQRF-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575180931 952419047 /nfs/dbraw/zinc/41/90/47/952419047.db2.gz XZYVUZATCODRMW-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575180931 952419055 /nfs/dbraw/zinc/41/90/55/952419055.db2.gz XZYVUZATCODRMW-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncc(F)cc1F ZINC001575181161 952420928 /nfs/dbraw/zinc/42/09/28/952420928.db2.gz ZMDRNJUFJDIHML-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575181161 952420936 /nfs/dbraw/zinc/42/09/36/952420936.db2.gz ZMDRNJUFJDIHML-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575187298 952440286 /nfs/dbraw/zinc/44/02/86/952440286.db2.gz BQPFOFXRSQQHIT-VXGBXAGGSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575187298 952440291 /nfs/dbraw/zinc/44/02/91/952440291.db2.gz BQPFOFXRSQQHIT-VXGBXAGGSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575187952 952444967 /nfs/dbraw/zinc/44/49/67/952444967.db2.gz GAQHHNQYCDLWKS-GFCCVEGCSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575187952 952444971 /nfs/dbraw/zinc/44/49/71/952444971.db2.gz GAQHHNQYCDLWKS-GFCCVEGCSA-N -1 1 386.416 0.361 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575196664 952476571 /nfs/dbraw/zinc/47/65/71/952476571.db2.gz IHNAJRUJMLMOLK-OLZOCXBDSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575197297 952481826 /nfs/dbraw/zinc/48/18/26/952481826.db2.gz SHDYDCUJWILLAY-CHWSQXEVSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575197298 952482159 /nfs/dbraw/zinc/48/21/59/952482159.db2.gz SHDYDCUJWILLAY-QWHCGFSZSA-N -1 1 382.428 0.953 20 0 GCADMM CC(C)(C)OC(=O)NC1CCN(CCNC(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001602903983 971837020 /nfs/dbraw/zinc/83/70/20/971837020.db2.gz VMPHADYOJIJORM-UHFFFAOYSA-N -1 1 399.488 0.973 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(Cl)no1 ZINC001571119438 952491123 /nfs/dbraw/zinc/49/11/23/952491123.db2.gz AVNGBFAWUNUYIS-MRVPVSSYSA-N -1 1 375.780 0.697 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(Cl)no1 ZINC001571119438 952491129 /nfs/dbraw/zinc/49/11/29/952491129.db2.gz AVNGBFAWUNUYIS-MRVPVSSYSA-N -1 1 375.780 0.697 20 0 GCADMM O=C(N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)[C@]1(F)CCOC1 ZINC001571119876 952495072 /nfs/dbraw/zinc/49/50/72/952495072.db2.gz GYOLKCJDQKTDMX-ZBEGNZNMSA-N -1 1 376.396 0.578 20 0 GCADMM O=C(N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)[C@]1(F)CCOC1 ZINC001571119876 952495077 /nfs/dbraw/zinc/49/50/77/952495077.db2.gz GYOLKCJDQKTDMX-ZBEGNZNMSA-N -1 1 376.396 0.578 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccn(C(F)F)n1 ZINC001571119942 952496771 /nfs/dbraw/zinc/49/67/71/952496771.db2.gz HHYACGDVEXMJJD-QMMMGPOBSA-N -1 1 376.331 0.257 20 0 GCADMM Cc1ccc(N(C)C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1Cl ZINC001571120501 952505147 /nfs/dbraw/zinc/50/51/47/952505147.db2.gz MJSGBDPMYACSCX-UHFFFAOYSA-N -1 1 375.776 0.754 20 0 GCADMM O=C(c1ccn(C(F)F)n1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571120723 952507452 /nfs/dbraw/zinc/50/74/52/952507452.db2.gz OWINLDPGNIFTJS-UHFFFAOYSA-N -1 1 376.331 0.211 20 0 GCADMM O=C(c1ccn(C(F)F)n1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571120723 952507458 /nfs/dbraw/zinc/50/74/58/952507458.db2.gz OWINLDPGNIFTJS-UHFFFAOYSA-N -1 1 376.331 0.211 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571120839 952509967 /nfs/dbraw/zinc/50/99/67/952509967.db2.gz RBMGGVPFPLSERT-ZBEGNZNMSA-N -1 1 376.396 0.213 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571120839 952509972 /nfs/dbraw/zinc/50/99/72/952509972.db2.gz RBMGGVPFPLSERT-ZBEGNZNMSA-N -1 1 376.396 0.213 20 0 GCADMM CCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cccc(Cl)c1 ZINC001571121012 952513245 /nfs/dbraw/zinc/51/32/45/952513245.db2.gz UZLVEMMYFHROEQ-UHFFFAOYSA-N -1 1 375.776 0.836 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571121011 952513623 /nfs/dbraw/zinc/51/36/23/952513623.db2.gz UZIXHFWKAUQRBJ-VIFPVBQESA-N -1 1 376.331 0.575 20 0 GCADMM O=C(c1cnn(C(F)F)c1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571121011 952513626 /nfs/dbraw/zinc/51/36/26/952513626.db2.gz UZIXHFWKAUQRBJ-VIFPVBQESA-N -1 1 376.331 0.575 20 0 GCADMM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)O2 ZINC001571121078 952515413 /nfs/dbraw/zinc/51/54/13/952515413.db2.gz WBSSDBVCVGKAKI-ZAQLIGFBSA-N -1 1 376.421 0.694 20 0 GCADMM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)O2 ZINC001571121078 952515415 /nfs/dbraw/zinc/51/54/15/952515415.db2.gz WBSSDBVCVGKAKI-ZAQLIGFBSA-N -1 1 376.421 0.694 20 0 GCADMM CC[C@H](OC)C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571121197 952515759 /nfs/dbraw/zinc/51/57/59/952515759.db2.gz XQJJNRMZNSMTRA-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM CC[C@H](OC)C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571121197 952515763 /nfs/dbraw/zinc/51/57/63/952515763.db2.gz XQJJNRMZNSMTRA-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM Cc1onc(CC(=O)NCc2ccccc2S(C)(=O)=O)c1-c1nnn[n-]1 ZINC001571121311 952519209 /nfs/dbraw/zinc/51/92/09/952519209.db2.gz YDBSLKIYMSNFKS-UHFFFAOYSA-N -1 1 376.398 0.426 20 0 GCADMM Cc1onc(CC(=O)NCc2ccccc2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC001571121311 952519215 /nfs/dbraw/zinc/51/92/15/952519215.db2.gz YDBSLKIYMSNFKS-UHFFFAOYSA-N -1 1 376.398 0.426 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575203520 952524361 /nfs/dbraw/zinc/52/43/61/952524361.db2.gz ZBRVJQCKPBTUHD-CNXAATOLSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575203520 952524365 /nfs/dbraw/zinc/52/43/65/952524365.db2.gz ZBRVJQCKPBTUHD-CNXAATOLSA-N -1 1 380.412 0.679 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571123142 952528931 /nfs/dbraw/zinc/52/89/31/952528931.db2.gz QCYRACJVETWSOF-VXGBXAGGSA-N -1 1 376.442 0.382 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575206758 952530313 /nfs/dbraw/zinc/53/03/13/952530313.db2.gz LOVHKBJLXIBTFL-VXGBXAGGSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575207125 952532470 /nfs/dbraw/zinc/53/24/70/952532470.db2.gz NUTKVVDMYFGGEI-VXGBXAGGSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575207125 952532476 /nfs/dbraw/zinc/53/24/76/952532476.db2.gz NUTKVVDMYFGGEI-VXGBXAGGSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575207860 952536226 /nfs/dbraw/zinc/53/62/26/952536226.db2.gz UOKJMDIKHAEXBA-GFCCVEGCSA-N -1 1 384.448 0.212 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575207860 952536232 /nfs/dbraw/zinc/53/62/32/952536232.db2.gz UOKJMDIKHAEXBA-GFCCVEGCSA-N -1 1 384.448 0.212 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575208021 952538243 /nfs/dbraw/zinc/53/82/43/952538243.db2.gz ZCUYLIOQTHQPRS-NSHDSACASA-N -1 1 382.432 0.330 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575208021 952538246 /nfs/dbraw/zinc/53/82/46/952538246.db2.gz ZCUYLIOQTHQPRS-NSHDSACASA-N -1 1 382.432 0.330 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nnn[n-]3)n2)ccn1 ZINC001571124448 952538721 /nfs/dbraw/zinc/53/87/21/952538721.db2.gz JEPVMVCLJZDOJK-KBPBESRZSA-N -1 1 377.412 0.772 20 0 GCADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nn[n-]n3)n2)ccn1 ZINC001571124448 952538726 /nfs/dbraw/zinc/53/87/26/952538726.db2.gz JEPVMVCLJZDOJK-KBPBESRZSA-N -1 1 377.412 0.772 20 0 GCADMM Cc1nc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)sc1C ZINC001571124475 952538959 /nfs/dbraw/zinc/53/89/59/952538959.db2.gz KDPSAFYGBOTYFU-UHFFFAOYSA-N -1 1 377.390 0.024 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571127144 952550255 /nfs/dbraw/zinc/55/02/55/952550255.db2.gz HEFKGUKLFZEDTG-SWLSCSKDSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571127144 952550260 /nfs/dbraw/zinc/55/02/60/952550260.db2.gz HEFKGUKLFZEDTG-SWLSCSKDSA-N -1 1 377.412 0.793 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571127161 952551340 /nfs/dbraw/zinc/55/13/40/952551340.db2.gz HIPQDGQLIOCRCD-XDQVBPFNSA-N -1 1 377.412 0.915 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571127161 952551346 /nfs/dbraw/zinc/55/13/46/952551346.db2.gz HIPQDGQLIOCRCD-XDQVBPFNSA-N -1 1 377.412 0.915 20 0 GCADMM O=C(CCc1ccncc1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571127482 952557108 /nfs/dbraw/zinc/55/71/08/952557108.db2.gz KPOYOVMQGGWPET-KBPBESRZSA-N -1 1 377.412 0.474 20 0 GCADMM O=C(CCc1ccncc1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571127482 952557114 /nfs/dbraw/zinc/55/71/14/952557114.db2.gz KPOYOVMQGGWPET-KBPBESRZSA-N -1 1 377.412 0.474 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571127826 952560400 /nfs/dbraw/zinc/56/04/00/952560400.db2.gz OJOAIIDIFXMPJX-GJZGRUSLSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1ccncc1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571127826 952560406 /nfs/dbraw/zinc/56/04/06/952560406.db2.gz OJOAIIDIFXMPJX-GJZGRUSLSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1(c2ccccn2)CC1 ZINC001571128152 952564803 /nfs/dbraw/zinc/56/48/03/952564803.db2.gz PDDKTSKLFYYQMZ-TXEJJXNPSA-N -1 1 377.412 0.265 20 0 GCADMM Cc1cncc(CC(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1 ZINC001571128443 952566766 /nfs/dbraw/zinc/56/67/66/952566766.db2.gz SHGQIHVBFBHCIV-LAQFHYBYSA-N -1 1 377.412 0.154 20 0 GCADMM Cc1cncc(CC(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1 ZINC001571128443 952566770 /nfs/dbraw/zinc/56/67/70/952566770.db2.gz SHGQIHVBFBHCIV-LAQFHYBYSA-N -1 1 377.412 0.154 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccnc(C2CC2)c1 ZINC001571128449 952566993 /nfs/dbraw/zinc/56/69/93/952566993.db2.gz SOLOSSDGMYDCPI-ZDUSSCGKSA-N -1 1 377.412 0.938 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccnc(C2CC2)c1 ZINC001571128449 952566999 /nfs/dbraw/zinc/56/69/99/952566999.db2.gz SOLOSSDGMYDCPI-ZDUSSCGKSA-N -1 1 377.412 0.938 20 0 GCADMM CC(F)(F)C1(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575215036 952568365 /nfs/dbraw/zinc/56/83/65/952568365.db2.gz SBPKYPPPLUPHJX-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM CC(F)(F)C1(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575215036 952568367 /nfs/dbraw/zinc/56/83/67/952568367.db2.gz SBPKYPPPLUPHJX-UHFFFAOYSA-N -1 1 382.375 0.325 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(C2CC2)cn1 ZINC001571128792 952570844 /nfs/dbraw/zinc/57/08/44/952570844.db2.gz WSRFRTAULAHEIQ-CYBMUJFWSA-N -1 1 377.412 0.938 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(C2CC2)cn1 ZINC001571128792 952570851 /nfs/dbraw/zinc/57/08/51/952570851.db2.gz WSRFRTAULAHEIQ-CYBMUJFWSA-N -1 1 377.412 0.938 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001571129161 952572780 /nfs/dbraw/zinc/57/27/80/952572780.db2.gz ANMGNNHOIIENSH-QWRGUYRKSA-N -1 1 378.387 0.985 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001571129161 952572784 /nfs/dbraw/zinc/57/27/84/952572784.db2.gz ANMGNNHOIIENSH-QWRGUYRKSA-N -1 1 378.387 0.985 20 0 GCADMM O=C(C1CC(F)(F)C1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571129490 952575217 /nfs/dbraw/zinc/57/52/17/952575217.db2.gz FBPGRNIQPFOJPZ-LLVKDONJSA-N -1 1 378.387 0.917 20 0 GCADMM CCN(C(=O)[C@H]1C[C@@H]1C(F)F)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571129664 952576660 /nfs/dbraw/zinc/57/66/60/952576660.db2.gz HGAHJWUDELTLPP-VWYCJHECSA-N -1 1 378.387 0.985 20 0 GCADMM CCN(C(=O)[C@H]1C[C@@H]1C(F)F)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571129664 952576664 /nfs/dbraw/zinc/57/66/64/952576664.db2.gz HGAHJWUDELTLPP-VWYCJHECSA-N -1 1 378.387 0.985 20 0 GCADMM NC(=O)Cc1cccc2c1CCN(C(=O)Nc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001571129973 952577338 /nfs/dbraw/zinc/57/73/38/952577338.db2.gz MEGRCQLBUKVFBH-UHFFFAOYSA-N -1 1 378.396 0.880 20 0 GCADMM NC(=O)Cc1cccc2c1CCN(C(=O)Nc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001571129973 952577346 /nfs/dbraw/zinc/57/73/46/952577346.db2.gz MEGRCQLBUKVFBH-UHFFFAOYSA-N -1 1 378.396 0.880 20 0 GCADMM O=C([C@@H]1CCC1(F)F)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571130683 952581701 /nfs/dbraw/zinc/58/17/01/952581701.db2.gz UJBZHCAAKJBXDK-QWRGUYRKSA-N -1 1 378.387 0.917 20 0 GCADMM C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571134439 952591189 /nfs/dbraw/zinc/59/11/89/952591189.db2.gz GIIJQYIQWDDVGV-ZFWWWQNUSA-N -1 1 378.440 0.970 20 0 GCADMM Cc1cc(C)cc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135269 952601571 /nfs/dbraw/zinc/60/15/71/952601571.db2.gz SDPDWNDHPNCQBA-OAHLLOKOSA-N -1 1 378.440 0.951 20 0 GCADMM O=C(c1cnccn1)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135698 952607803 /nfs/dbraw/zinc/60/78/03/952607803.db2.gz BGWUKKCGIXSSHK-RISCZKNCSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1cnccn1)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135698 952607806 /nfs/dbraw/zinc/60/78/06/952607806.db2.gz BGWUKKCGIXSSHK-RISCZKNCSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571135884 952609978 /nfs/dbraw/zinc/60/99/78/952609978.db2.gz GXNUYYNANRPCFB-AWEZNQCLSA-N -1 1 378.396 0.696 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571135884 952609982 /nfs/dbraw/zinc/60/99/82/952609982.db2.gz GXNUYYNANRPCFB-AWEZNQCLSA-N -1 1 378.396 0.696 20 0 GCADMM O=C(c1ccccc1O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571135984 952610623 /nfs/dbraw/zinc/61/06/23/952610623.db2.gz JTFGGROBSVARQO-TXEJJXNPSA-N -1 1 378.396 0.571 20 0 GCADMM O=C(c1ccccc1O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571135984 952610628 /nfs/dbraw/zinc/61/06/28/952610628.db2.gz JTFGGROBSVARQO-TXEJJXNPSA-N -1 1 378.396 0.571 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1COc2ccccc21 ZINC001571135975 952611101 /nfs/dbraw/zinc/61/11/01/952611101.db2.gz JNBXBHWCZHCQTJ-LOWVWBTDSA-N -1 1 378.396 0.892 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1COc2ccccc21 ZINC001571135975 952611105 /nfs/dbraw/zinc/61/11/05/952611105.db2.gz JNBXBHWCZHCQTJ-LOWVWBTDSA-N -1 1 378.396 0.892 20 0 GCADMM O=C(c1ccnnc1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571136136 952612796 /nfs/dbraw/zinc/61/27/96/952612796.db2.gz MUVXQHSRYTZZKP-QWHCGFSZSA-N -1 1 378.400 0.188 20 0 GCADMM CC[C@H](F)C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136385 952613640 /nfs/dbraw/zinc/61/36/40/952613640.db2.gz OZBPDWFZDJBQJN-RYUDHWBXSA-N -1 1 378.412 0.195 20 0 GCADMM CC[C@H](F)C(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136385 952613643 /nfs/dbraw/zinc/61/36/43/952613643.db2.gz OZBPDWFZDJBQJN-RYUDHWBXSA-N -1 1 378.412 0.195 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1ncccn1 ZINC001571136582 952614836 /nfs/dbraw/zinc/61/48/36/952614836.db2.gz RPLOVMLUJGSDCC-PXAZEXFGSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1ncccn1 ZINC001571136582 952614837 /nfs/dbraw/zinc/61/48/37/952614837.db2.gz RPLOVMLUJGSDCC-PXAZEXFGSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1ncccn1 ZINC001571136566 952614926 /nfs/dbraw/zinc/61/49/26/952614926.db2.gz QUJKWZBPWRKMBM-MNOVXSKESA-N -1 1 378.400 0.600 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1ncccn1 ZINC001571136566 952614928 /nfs/dbraw/zinc/61/49/28/952614928.db2.gz QUJKWZBPWRKMBM-MNOVXSKESA-N -1 1 378.400 0.600 20 0 GCADMM O=C(c1ccnnc1)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571136633 952614966 /nfs/dbraw/zinc/61/49/66/952614966.db2.gz UAHRGJSCAHXNOR-OLZOCXBDSA-N -1 1 378.400 0.045 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)c1cccnn1 ZINC001571136752 952615749 /nfs/dbraw/zinc/61/57/49/952615749.db2.gz UGPVMRKMEWVNEB-TUAOUCFPSA-N -1 1 378.400 0.234 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)c1cccnn1 ZINC001571136752 952615750 /nfs/dbraw/zinc/61/57/50/952615750.db2.gz UGPVMRKMEWVNEB-TUAOUCFPSA-N -1 1 378.400 0.234 20 0 GCADMM O=C(c1ncccn1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571136762 952616395 /nfs/dbraw/zinc/61/63/95/952616395.db2.gz UXCVZFWSFLDONW-YPMHNXCESA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1ncccn1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571136762 952616397 /nfs/dbraw/zinc/61/63/97/952616397.db2.gz UXCVZFWSFLDONW-YPMHNXCESA-N -1 1 378.400 0.188 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnn2)C3)n1 ZINC001571136959 952616883 /nfs/dbraw/zinc/61/68/83/952616883.db2.gz YEMWNYQYUIIHJC-QKCSRTOESA-N -1 1 378.400 0.295 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccnn2)C3)n1 ZINC001571136959 952616887 /nfs/dbraw/zinc/61/68/87/952616887.db2.gz YEMWNYQYUIIHJC-QKCSRTOESA-N -1 1 378.400 0.295 20 0 GCADMM COc1cccnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571139067 952617991 /nfs/dbraw/zinc/61/79/91/952617991.db2.gz BHSYSOQTEQAQFP-QWRGUYRKSA-N -1 1 379.384 0.164 20 0 GCADMM COc1cccnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571139067 952617995 /nfs/dbraw/zinc/61/79/95/952617995.db2.gz BHSYSOQTEQAQFP-QWRGUYRKSA-N -1 1 379.384 0.164 20 0 GCADMM NC(=O)c1cccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571139043 952618030 /nfs/dbraw/zinc/61/80/30/952618030.db2.gz AXVVPCGVKSNCQM-HAQNSBGRSA-N -1 1 379.384 0.129 20 0 GCADMM NC(=O)c1cccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571139043 952618034 /nfs/dbraw/zinc/61/80/34/952618034.db2.gz AXVVPCGVKSNCQM-HAQNSBGRSA-N -1 1 379.384 0.129 20 0 GCADMM CC(=O)[C@@H]1CC(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)=NN1c1ccccc1 ZINC001571140766 952628463 /nfs/dbraw/zinc/62/84/63/952628463.db2.gz STMIVNICXJQYNJ-AWEZNQCLSA-N -1 1 379.384 0.763 20 0 GCADMM CC(=O)[C@@H]1CC(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)=NN1c1ccccc1 ZINC001571140766 952628469 /nfs/dbraw/zinc/62/84/69/952628469.db2.gz STMIVNICXJQYNJ-AWEZNQCLSA-N -1 1 379.384 0.763 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cnc(C2CC2)o1 ZINC001571140747 952628688 /nfs/dbraw/zinc/62/86/88/952628688.db2.gz SKXCTDROOAVUAW-IWIIMEHWSA-N -1 1 379.384 0.387 20 0 GCADMM O=C(c1cc2c([nH]1)CCC2)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571146042 952647116 /nfs/dbraw/zinc/64/71/16/952647116.db2.gz AQRBZAFFWKNPMW-UHFFFAOYSA-N -1 1 379.428 0.826 20 0 GCADMM O=C(c1cc2c([nH]1)CCC2)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571146042 952647120 /nfs/dbraw/zinc/64/71/20/952647120.db2.gz AQRBZAFFWKNPMW-UHFFFAOYSA-N -1 1 379.428 0.826 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146110 952647908 /nfs/dbraw/zinc/64/79/08/952647908.db2.gz CTBIXMGNLCGVTR-CYBMUJFWSA-N -1 1 379.428 0.945 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146110 952647912 /nfs/dbraw/zinc/64/79/12/952647912.db2.gz CTBIXMGNLCGVTR-CYBMUJFWSA-N -1 1 379.428 0.945 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571146566 952650499 /nfs/dbraw/zinc/65/04/99/952650499.db2.gz ISKDREQCLXANRW-GJZGRUSLSA-N -1 1 379.428 0.879 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571146566 952650503 /nfs/dbraw/zinc/65/05/03/952650503.db2.gz ISKDREQCLXANRW-GJZGRUSLSA-N -1 1 379.428 0.879 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)c1 ZINC001571146817 952653544 /nfs/dbraw/zinc/65/35/44/952653544.db2.gz MYHGRUFNNFIWSJ-CQSZACIVSA-N -1 1 379.428 0.784 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)c1 ZINC001571146817 952653550 /nfs/dbraw/zinc/65/35/50/952653550.db2.gz MYHGRUFNNFIWSJ-CQSZACIVSA-N -1 1 379.428 0.784 20 0 GCADMM CCc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571146945 952655518 /nfs/dbraw/zinc/65/55/18/952655518.db2.gz DLSCWCVTKPKCOF-BXUZGUMPSA-N -1 1 379.428 0.609 20 0 GCADMM Cc1[nH]ccc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571147198 952658891 /nfs/dbraw/zinc/65/88/91/952658891.db2.gz IWXHFEWLJIEOFG-OLZOCXBDSA-N -1 1 379.428 0.892 20 0 GCADMM Cc1[nH]ccc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571147198 952658894 /nfs/dbraw/zinc/65/88/94/952658894.db2.gz IWXHFEWLJIEOFG-OLZOCXBDSA-N -1 1 379.428 0.892 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cccnc1 ZINC001571147186 952659061 /nfs/dbraw/zinc/65/90/61/952659061.db2.gz IQKTZZIPGHBRFD-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001571147186 952659064 /nfs/dbraw/zinc/65/90/64/952659064.db2.gz IQKTZZIPGHBRFD-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM CCc1cncc(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571147324 952659954 /nfs/dbraw/zinc/65/99/54/952659954.db2.gz JLPJBYYEDMSYKO-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM CCc1cncc(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571147324 952659957 /nfs/dbraw/zinc/65/99/57/952659957.db2.gz JLPJBYYEDMSYKO-UHFFFAOYSA-N -1 1 379.428 0.885 20 0 GCADMM Cn1ccc(C(=O)N[C@]23CCC[C@@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)c1 ZINC001571147493 952661658 /nfs/dbraw/zinc/66/16/58/952661658.db2.gz ZVTRCBUIDASNEI-UGSOOPFHSA-N -1 1 379.428 0.927 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccncc2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571147743 952663397 /nfs/dbraw/zinc/66/33/97/952663397.db2.gz PISZQDGFDVLFMY-GXTWGEPZSA-N -1 1 379.428 0.826 20 0 GCADMM CCc1ccnc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571147796 952663724 /nfs/dbraw/zinc/66/37/24/952663724.db2.gz QJGFJSMWUYXFLC-UHFFFAOYSA-N -1 1 379.428 0.967 20 0 GCADMM CCc1ccnc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571147796 952663728 /nfs/dbraw/zinc/66/37/28/952663728.db2.gz QJGFJSMWUYXFLC-UHFFFAOYSA-N -1 1 379.428 0.967 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccncc2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571147745 952663781 /nfs/dbraw/zinc/66/37/81/952663781.db2.gz PISZQDGFDVLFMY-OCCSQVGLSA-N -1 1 379.428 0.826 20 0 GCADMM Cc1c(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)ccn1C ZINC001571147827 952664614 /nfs/dbraw/zinc/66/46/14/952664614.db2.gz QSYLXCPTDYKYPA-SWLSCSKDSA-N -1 1 379.428 0.655 20 0 GCADMM Cc1c(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)ccn1C ZINC001571147827 952664617 /nfs/dbraw/zinc/66/46/17/952664617.db2.gz QSYLXCPTDYKYPA-SWLSCSKDSA-N -1 1 379.428 0.655 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cccnc2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571147874 952664756 /nfs/dbraw/zinc/66/47/56/952664756.db2.gz RNXJSQUFXJRKNF-GXTWGEPZSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@H]1CN(C(=O)Cc2cccnc2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571147874 952664758 /nfs/dbraw/zinc/66/47/58/952664758.db2.gz RNXJSQUFXJRKNF-GXTWGEPZSA-N -1 1 379.428 0.943 20 0 GCADMM CCc1ccnc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571148205 952665756 /nfs/dbraw/zinc/66/57/56/952665756.db2.gz VEWXWLOSPQQYHS-BXUZGUMPSA-N -1 1 379.428 0.609 20 0 GCADMM CCc1ccc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571148269 952666468 /nfs/dbraw/zinc/66/64/68/952666468.db2.gz XLPHJYCURAROIP-CQSZACIVSA-N -1 1 379.428 0.292 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001571148438 952667109 /nfs/dbraw/zinc/66/71/09/952667109.db2.gz ZNQZXBJDHCAWSI-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001571148438 952667111 /nfs/dbraw/zinc/66/71/11/952667111.db2.gz ZNQZXBJDHCAWSI-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NCc1ccc(Cl)cc1F ZINC001571153613 952686941 /nfs/dbraw/zinc/68/69/41/952686941.db2.gz RZGAEDJMNQXOAH-UHFFFAOYSA-N -1 1 379.739 0.238 20 0 GCADMM COCc1ccccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571154832 952690372 /nfs/dbraw/zinc/69/03/72/952690372.db2.gz BYYAOJKABQLELM-CYBMUJFWSA-N -1 1 380.412 0.552 20 0 GCADMM Cc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571155170 952693841 /nfs/dbraw/zinc/69/38/41/952693841.db2.gz JNRGNVVBFBCONC-WDNDVIMCSA-N -1 1 380.387 0.969 20 0 GCADMM Cc1ccc(F)cc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571155170 952693846 /nfs/dbraw/zinc/69/38/46/952693846.db2.gz JNRGNVVBFBCONC-WDNDVIMCSA-N -1 1 380.387 0.969 20 0 GCADMM C[C@@H]1CN(C(=O)COc2ccccc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571155180 952694147 /nfs/dbraw/zinc/69/41/47/952694147.db2.gz JXJMXNOLSXDURT-DOMZBBRYSA-N -1 1 380.412 0.995 20 0 GCADMM C[C@@H]1CN(C(=O)COc2ccccc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571155180 952694152 /nfs/dbraw/zinc/69/41/52/952694152.db2.gz JXJMXNOLSXDURT-DOMZBBRYSA-N -1 1 380.412 0.995 20 0 GCADMM O=C(Cc1ccc(F)cc1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571155287 952694869 /nfs/dbraw/zinc/69/48/69/952694869.db2.gz MYUXGQZNZDMWRE-KBPBESRZSA-N -1 1 380.387 0.828 20 0 GCADMM Cc1cnccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571156057 952700757 /nfs/dbraw/zinc/70/07/57/952700757.db2.gz BVUGCAJMKTZWNL-TZMCWYRMSA-N -1 1 379.428 0.745 20 0 GCADMM Cc1cncc(CCC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001571156030 952701130 /nfs/dbraw/zinc/70/11/30/952701130.db2.gz BBAYNGJYSLPQRR-UHFFFAOYSA-N -1 1 379.428 0.642 20 0 GCADMM Cc1cncc(CCC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001571156030 952701138 /nfs/dbraw/zinc/70/11/38/952701138.db2.gz BBAYNGJYSLPQRR-UHFFFAOYSA-N -1 1 379.428 0.642 20 0 GCADMM Cc1ccncc1CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571156706 952703737 /nfs/dbraw/zinc/70/37/37/952703737.db2.gz HKKCGPHYKRNEHM-CQSZACIVSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1ccncc1CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571156706 952703744 /nfs/dbraw/zinc/70/37/44/952703744.db2.gz HKKCGPHYKRNEHM-CQSZACIVSA-N -1 1 379.428 0.640 20 0 GCADMM COc1cc(C)ccc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571157867 952707917 /nfs/dbraw/zinc/70/79/17/952707917.db2.gz BBULCPZZZMERJO-LBPRGKRZSA-N -1 1 380.412 0.982 20 0 GCADMM COc1cc(C)ccc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571157867 952707919 /nfs/dbraw/zinc/70/79/19/952707919.db2.gz BBULCPZZZMERJO-LBPRGKRZSA-N -1 1 380.412 0.982 20 0 GCADMM COc1ccccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571158643 952713608 /nfs/dbraw/zinc/71/36/08/952713608.db2.gz LJGXBBIHPPXSBK-LBPRGKRZSA-N -1 1 380.412 0.982 20 0 GCADMM COc1ccccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571158643 952713615 /nfs/dbraw/zinc/71/36/15/952713615.db2.gz LJGXBBIHPPXSBK-LBPRGKRZSA-N -1 1 380.412 0.982 20 0 GCADMM COc1cccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001571159364 952717953 /nfs/dbraw/zinc/71/79/53/952717953.db2.gz VLUIMOBTHDXTIT-YPMHNXCESA-N -1 1 380.412 0.802 20 0 GCADMM Cc1ccncc1C(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571159627 952720653 /nfs/dbraw/zinc/72/06/53/952720653.db2.gz VELSMILZCSQLDO-QWHCGFSZSA-N -1 1 379.428 0.793 20 0 GCADMM Cc1cncc(CC(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571160247 952724027 /nfs/dbraw/zinc/72/40/27/952724027.db2.gz XKPFKPVPKKVUJF-ZDUSSCGKSA-N -1 1 379.428 0.863 20 0 GCADMM Cc1cncc(CC(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571160247 952724030 /nfs/dbraw/zinc/72/40/30/952724030.db2.gz XKPFKPVPKKVUJF-ZDUSSCGKSA-N -1 1 379.428 0.863 20 0 GCADMM O=C(Cc1ccoc1)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571160783 952728146 /nfs/dbraw/zinc/72/81/46/952728146.db2.gz LZUWURGWWOXTER-KBPBESRZSA-N -1 1 380.412 0.920 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571161839 952735218 /nfs/dbraw/zinc/73/52/18/952735218.db2.gz BSMBVIKVOOFIQF-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571161839 952735221 /nfs/dbraw/zinc/73/52/21/952735221.db2.gz BSMBVIKVOOFIQF-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571161849 952735229 /nfs/dbraw/zinc/73/52/29/952735229.db2.gz CDHKONMLZJMTRS-KBPBESRZSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571161849 952735231 /nfs/dbraw/zinc/73/52/31/952735231.db2.gz CDHKONMLZJMTRS-KBPBESRZSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)ncn1 ZINC001571161862 952735541 /nfs/dbraw/zinc/73/55/41/952735541.db2.gz CMJCXKPEOYNYPB-HAQNSBGRSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC2)ncn1 ZINC001571161862 952735545 /nfs/dbraw/zinc/73/55/45/952735545.db2.gz CMJCXKPEOYNYPB-HAQNSBGRSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571161944 952736255 /nfs/dbraw/zinc/73/62/55/952736255.db2.gz FTWQHHMCFCPOAI-PWSUYJOCSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571161944 952736259 /nfs/dbraw/zinc/73/62/59/952736259.db2.gz FTWQHHMCFCPOAI-PWSUYJOCSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1ccnc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571161908 952736281 /nfs/dbraw/zinc/73/62/81/952736281.db2.gz DURVCUQCYVZJAM-NEPJUHHUSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ccnc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571161908 952736283 /nfs/dbraw/zinc/73/62/83/952736283.db2.gz DURVCUQCYVZJAM-NEPJUHHUSA-N -1 1 380.416 0.718 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccnnc2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571161946 952736537 /nfs/dbraw/zinc/73/65/37/952736537.db2.gz FXDHOVRSUXXRCU-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@H]1CN(C(=O)c2ccnnc2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571161946 952736541 /nfs/dbraw/zinc/73/65/41/952736541.db2.gz FXDHOVRSUXXRCU-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnccn2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571161930 952736612 /nfs/dbraw/zinc/73/66/12/952736612.db2.gz FJWXBBAXRLTPGN-VXGBXAGGSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnccn2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571161930 952736617 /nfs/dbraw/zinc/73/66/17/952736617.db2.gz FJWXBBAXRLTPGN-VXGBXAGGSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnccn2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571161929 952736734 /nfs/dbraw/zinc/73/67/34/952736734.db2.gz FJWXBBAXRLTPGN-RYUDHWBXSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@H]1CN(C(=O)c2cnccn2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571161929 952736737 /nfs/dbraw/zinc/73/67/37/952736737.db2.gz FJWXBBAXRLTPGN-RYUDHWBXSA-N -1 1 380.416 0.800 20 0 GCADMM Cc1c[nH]nc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001571161969 952737127 /nfs/dbraw/zinc/73/71/27/952737127.db2.gz GOSXQPMXLHKAOO-DIFFPNOSSA-N -1 1 380.416 0.287 20 0 GCADMM Cc1c[nH]nc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571161969 952737130 /nfs/dbraw/zinc/73/71/30/952737130.db2.gz GOSXQPMXLHKAOO-DIFFPNOSSA-N -1 1 380.416 0.287 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cnccn2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571161990 952737161 /nfs/dbraw/zinc/73/71/61/952737161.db2.gz GYGXRYCQJBSSDE-GFCCVEGCSA-N -1 1 380.416 0.435 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2cnccn2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571161990 952737166 /nfs/dbraw/zinc/73/71/66/952737166.db2.gz GYGXRYCQJBSSDE-GFCCVEGCSA-N -1 1 380.416 0.435 20 0 GCADMM Cc1c[nH]nc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571162096 952738731 /nfs/dbraw/zinc/73/87/31/952738731.db2.gz JWOYCEULGQUFOJ-NEPJUHHUSA-N -1 1 380.416 0.287 20 0 GCADMM Cc1c[nH]nc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571162096 952738734 /nfs/dbraw/zinc/73/87/34/952738734.db2.gz JWOYCEULGQUFOJ-NEPJUHHUSA-N -1 1 380.416 0.287 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)ncn1 ZINC001571162090 952738778 /nfs/dbraw/zinc/73/87/78/952738778.db2.gz JTIOHOWNYOJLMQ-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)ncn1 ZINC001571162090 952738783 /nfs/dbraw/zinc/73/87/83/952738783.db2.gz JTIOHOWNYOJLMQ-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1c[nH]nc1C1CC1 ZINC001571162099 952738849 /nfs/dbraw/zinc/73/88/49/952738849.db2.gz JYVKRQHSWTZPCR-KOLCDFICSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1c[nH]nc1C1CC1 ZINC001571162099 952738853 /nfs/dbraw/zinc/73/88/53/952738853.db2.gz JYVKRQHSWTZPCR-KOLCDFICSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571162106 952738985 /nfs/dbraw/zinc/73/89/85/952738985.db2.gz KHJXXMVJDKTLQB-NOZJJQNGSA-N -1 1 380.416 0.830 20 0 GCADMM C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571162106 952738989 /nfs/dbraw/zinc/73/89/89/952738989.db2.gz KHJXXMVJDKTLQB-NOZJJQNGSA-N -1 1 380.416 0.830 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571162136 952739565 /nfs/dbraw/zinc/73/95/65/952739565.db2.gz LSCPEFJJRPQKAY-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571162136 952739569 /nfs/dbraw/zinc/73/95/69/952739569.db2.gz LSCPEFJJRPQKAY-NWDGAFQWSA-N -1 1 380.416 0.657 20 0 GCADMM CN(C)c1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571162133 952739587 /nfs/dbraw/zinc/73/95/87/952739587.db2.gz LQRNKQIXQWOJJS-GFCCVEGCSA-N -1 1 380.416 0.444 20 0 GCADMM CN(C)c1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571162133 952739592 /nfs/dbraw/zinc/73/95/92/952739592.db2.gz LQRNKQIXQWOJJS-GFCCVEGCSA-N -1 1 380.416 0.444 20 0 GCADMM C[C@@]1(NC(=O)c2c[nH]nc2C2CC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571162181 952739650 /nfs/dbraw/zinc/73/96/50/952739650.db2.gz MXPYRWGTZNRFNC-QGZVFWFLSA-N -1 1 380.416 0.656 20 0 GCADMM C[C@@]1(NC(=O)c2c[nH]nc2C2CC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571162181 952739655 /nfs/dbraw/zinc/73/96/55/952739655.db2.gz MXPYRWGTZNRFNC-QGZVFWFLSA-N -1 1 380.416 0.656 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3ncccn3)[C@@H]2C)n1 ZINC001571162191 952739896 /nfs/dbraw/zinc/73/98/96/952739896.db2.gz NKTOFZJXVMYWGV-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3ncccn3)[C@@H]2C)n1 ZINC001571162191 952739898 /nfs/dbraw/zinc/73/98/98/952739898.db2.gz NKTOFZJXVMYWGV-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571162154 952739927 /nfs/dbraw/zinc/73/99/27/952739927.db2.gz MFQWIVPMXQIADY-BXUZGUMPSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571162154 952739930 /nfs/dbraw/zinc/73/99/30/952739930.db2.gz MFQWIVPMXQIADY-BXUZGUMPSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571162176 952739995 /nfs/dbraw/zinc/73/99/95/952739995.db2.gz MXGJSLAZOGNGRB-LKFCYVNXSA-N -1 1 380.416 0.830 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)ncn1 ZINC001571162145 952740011 /nfs/dbraw/zinc/74/00/11/952740011.db2.gz LYGDRXNYTPJHTL-NWDGAFQWSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)ncn1 ZINC001571162145 952740014 /nfs/dbraw/zinc/74/00/14/952740014.db2.gz LYGDRXNYTPJHTL-NWDGAFQWSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571162151 952740078 /nfs/dbraw/zinc/74/00/78/952740078.db2.gz MDPGQWVSGUCXRV-LBPRGKRZSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571162151 952740083 /nfs/dbraw/zinc/74/00/83/952740083.db2.gz MDPGQWVSGUCXRV-LBPRGKRZSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571162215 952740774 /nfs/dbraw/zinc/74/07/74/952740774.db2.gz NZBNHLFOOKQTBU-RYUDHWBXSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571162215 952740778 /nfs/dbraw/zinc/74/07/78/952740778.db2.gz NZBNHLFOOKQTBU-RYUDHWBXSA-N -1 1 380.416 0.841 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CNC(=O)c2ccnc(C)n2)n1 ZINC001571162199 952740855 /nfs/dbraw/zinc/74/08/55/952740855.db2.gz NQVMTXYTEZKKNS-GFCCVEGCSA-N -1 1 380.416 0.462 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CNC(=O)c2ccnc(C)n2)n1 ZINC001571162199 952740858 /nfs/dbraw/zinc/74/08/58/952740858.db2.gz NQVMTXYTEZKKNS-GFCCVEGCSA-N -1 1 380.416 0.462 20 0 GCADMM O=C1NC[C@@H](O)CC12CCN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC001571162219 952741000 /nfs/dbraw/zinc/74/10/00/952741000.db2.gz OBFGTEQJLQGVST-NSHDSACASA-N -1 1 380.412 0.277 20 0 GCADMM O=C1NC[C@@H](O)CC12CCN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC001571162219 952741006 /nfs/dbraw/zinc/74/10/06/952741006.db2.gz OBFGTEQJLQGVST-NSHDSACASA-N -1 1 380.412 0.277 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571162286 952741688 /nfs/dbraw/zinc/74/16/88/952741688.db2.gz PQDAYPFYIAPAPK-LBPRGKRZSA-N -1 1 380.416 0.126 20 0 GCADMM CN(C)c1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571162286 952741691 /nfs/dbraw/zinc/74/16/91/952741691.db2.gz PQDAYPFYIAPAPK-LBPRGKRZSA-N -1 1 380.416 0.126 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cnccn3)[C@@H](C)C2)n1 ZINC001571162291 952741700 /nfs/dbraw/zinc/74/17/00/952741700.db2.gz PRMCBZWMHIUEQE-RYUDHWBXSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cnccn3)[C@@H](C)C2)n1 ZINC001571162291 952741701 /nfs/dbraw/zinc/74/17/01/952741701.db2.gz PRMCBZWMHIUEQE-RYUDHWBXSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162311 952741715 /nfs/dbraw/zinc/74/17/15/952741715.db2.gz PZGQROGLDBHLEM-ZDUSSCGKSA-N -1 1 380.416 0.496 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CCc2ncccn2)C1 ZINC001571162330 952741774 /nfs/dbraw/zinc/74/17/74/952741774.db2.gz QKQANBNRMJZOEJ-LBPRGKRZSA-N -1 1 380.416 0.117 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CCc2ncccn2)C1 ZINC001571162330 952741777 /nfs/dbraw/zinc/74/17/77/952741777.db2.gz QKQANBNRMJZOEJ-LBPRGKRZSA-N -1 1 380.416 0.117 20 0 GCADMM Cc1cc(C(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)ncn1 ZINC001571162344 952741824 /nfs/dbraw/zinc/74/18/24/952741824.db2.gz QZWCXCFUDUACAQ-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(C(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)ncn1 ZINC001571162344 952741825 /nfs/dbraw/zinc/74/18/25/952741825.db2.gz QZWCXCFUDUACAQ-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM CCCn1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)cn1 ZINC001571162323 952741978 /nfs/dbraw/zinc/74/19/78/952741978.db2.gz QJUIETBALAGNAD-JYAVWHMHSA-N -1 1 380.416 0.128 20 0 GCADMM CCCn1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)cn1 ZINC001571162323 952741984 /nfs/dbraw/zinc/74/19/84/952741984.db2.gz QJUIETBALAGNAD-JYAVWHMHSA-N -1 1 380.416 0.128 20 0 GCADMM Cc1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001571162367 952743128 /nfs/dbraw/zinc/74/31/28/952743128.db2.gz RXRQSLPAQFNNBS-UHFFFAOYSA-N -1 1 380.416 0.141 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccncn3)C[C@H]2C)n1 ZINC001571162401 952743307 /nfs/dbraw/zinc/74/33/07/952743307.db2.gz STDGZLPDPNHDNG-PWSUYJOCSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccncn3)C[C@H]2C)n1 ZINC001571162401 952743311 /nfs/dbraw/zinc/74/33/11/952743311.db2.gz STDGZLPDPNHDNG-PWSUYJOCSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571162396 952743350 /nfs/dbraw/zinc/74/33/50/952743350.db2.gz SRWGCZPMCHSBII-RYUDHWBXSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571162396 952743353 /nfs/dbraw/zinc/74/33/53/952743353.db2.gz SRWGCZPMCHSBII-RYUDHWBXSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)ncn1 ZINC001571162391 952743361 /nfs/dbraw/zinc/74/33/61/952743361.db2.gz SQGIZNBNMHTUJW-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)ncn1 ZINC001571162391 952743362 /nfs/dbraw/zinc/74/33/62/952743362.db2.gz SQGIZNBNMHTUJW-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1ccnnc1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571162436 952743482 /nfs/dbraw/zinc/74/34/82/952743482.db2.gz UHNLAKMJUFCYES-CYBMUJFWSA-N -1 1 380.416 0.578 20 0 GCADMM CN(C[C@H]1CCCCN1C(=O)c1ccnnc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571162436 952743485 /nfs/dbraw/zinc/74/34/85/952743485.db2.gz UHNLAKMJUFCYES-CYBMUJFWSA-N -1 1 380.416 0.578 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3n[nH]c4c3CCC4)C2)n1 ZINC001571162456 952743824 /nfs/dbraw/zinc/74/38/24/952743824.db2.gz URBQPWSNFHISRY-SNVBAGLBSA-N -1 1 380.416 0.186 20 0 GCADMM CN(C)c1ccnc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571162451 952743924 /nfs/dbraw/zinc/74/39/24/952743924.db2.gz UOSSRNPORHDVQK-XYPYZODXSA-N -1 1 380.416 0.491 20 0 GCADMM CN(C)c1ccnc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571162451 952743926 /nfs/dbraw/zinc/74/39/26/952743926.db2.gz UOSSRNPORHDVQK-XYPYZODXSA-N -1 1 380.416 0.491 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571162594 952743934 /nfs/dbraw/zinc/74/39/34/952743934.db2.gz VZQOQLXPXCXXNQ-HBYGRHMLSA-N -1 1 380.416 0.046 20 0 GCADMM CCn1nc(C)cc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571162594 952743938 /nfs/dbraw/zinc/74/39/38/952743938.db2.gz VZQOQLXPXCXXNQ-HBYGRHMLSA-N -1 1 380.416 0.046 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)cnn1 ZINC001571162567 952744187 /nfs/dbraw/zinc/74/41/87/952744187.db2.gz VUMAQTRVCDQCJC-ZDUSSCGKSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)cnn1 ZINC001571162567 952744191 /nfs/dbraw/zinc/74/41/91/952744191.db2.gz VUMAQTRVCDQCJC-ZDUSSCGKSA-N -1 1 380.416 0.862 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)c1cccnn1 ZINC001571162439 952744334 /nfs/dbraw/zinc/74/43/34/952744334.db2.gz UMEWQUIXBOOSQN-BXUZGUMPSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)c1cccnn1 ZINC001571162439 952744341 /nfs/dbraw/zinc/74/43/41/952744341.db2.gz UMEWQUIXBOOSQN-BXUZGUMPSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)c1ccnnc1 ZINC001571162470 952744568 /nfs/dbraw/zinc/74/45/68/952744568.db2.gz VBIXTHCOIAWVCC-SMDDNHRTSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)c1ccnnc1 ZINC001571162470 952744570 /nfs/dbraw/zinc/74/45/70/952744570.db2.gz VBIXTHCOIAWVCC-SMDDNHRTSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001571162631 952744958 /nfs/dbraw/zinc/74/49/58/952744958.db2.gz WSIBLOPLJWHVIA-GXSJLCMTSA-N -1 1 380.416 0.972 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H](C)C2)ncn1 ZINC001571162659 952745177 /nfs/dbraw/zinc/74/51/77/952745177.db2.gz XJBBVJOCFNRWKE-XPTSAGLGSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H](C)C2)ncn1 ZINC001571162659 952745181 /nfs/dbraw/zinc/74/51/81/952745181.db2.gz XJBBVJOCFNRWKE-XPTSAGLGSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)nn1 ZINC001571162687 952745595 /nfs/dbraw/zinc/74/55/95/952745595.db2.gz XVIZMLBAFFRGBA-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)nn1 ZINC001571162687 952745598 /nfs/dbraw/zinc/74/55/98/952745598.db2.gz XVIZMLBAFFRGBA-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571162715 952746387 /nfs/dbraw/zinc/74/63/87/952746387.db2.gz YHIMOSCQVXZCAV-ICCXJUOJSA-N -1 1 380.416 0.482 20 0 GCADMM CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571162715 952746389 /nfs/dbraw/zinc/74/63/89/952746389.db2.gz YHIMOSCQVXZCAV-ICCXJUOJSA-N -1 1 380.416 0.482 20 0 GCADMM Cn1cnc(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)c1 ZINC001571165014 952746860 /nfs/dbraw/zinc/74/68/60/952746860.db2.gz AWYVMJNPUVGXMW-QGZVFWFLSA-N -1 1 380.416 0.133 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165049 952746956 /nfs/dbraw/zinc/74/69/56/952746956.db2.gz BQJVJIADLDVDEP-JQWIXIFHSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165049 952746961 /nfs/dbraw/zinc/74/69/61/952746961.db2.gz BQJVJIADLDVDEP-JQWIXIFHSA-N -1 1 380.416 0.718 20 0 GCADMM O=C([C@H]1CCc2c[nH]nc2C1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571165214 952748381 /nfs/dbraw/zinc/74/83/81/952748381.db2.gz GHGAEODAHFWNCC-JQWIXIFHSA-N -1 1 380.416 0.198 20 0 GCADMM O=C([C@H]1CCc2c[nH]nc2C1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571165214 952748387 /nfs/dbraw/zinc/74/83/87/952748387.db2.gz GHGAEODAHFWNCC-JQWIXIFHSA-N -1 1 380.416 0.198 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165224 952748507 /nfs/dbraw/zinc/74/85/07/952748507.db2.gz GOTHPMPPCJLKPJ-JQWIXIFHSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1nnccc1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165224 952748512 /nfs/dbraw/zinc/74/85/12/952748512.db2.gz GOTHPMPPCJLKPJ-JQWIXIFHSA-N -1 1 380.416 0.575 20 0 GCADMM Cc1ncc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c(C)n1 ZINC001571165465 952750316 /nfs/dbraw/zinc/75/03/16/952750316.db2.gz HJDAGEYBMPIFLM-CABZTGNLSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1ncc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c(C)n1 ZINC001571165465 952750321 /nfs/dbraw/zinc/75/03/21/952750321.db2.gz HJDAGEYBMPIFLM-CABZTGNLSA-N -1 1 380.416 0.779 20 0 GCADMM Cn1cc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c(C2CC2)n1 ZINC001571165470 952750986 /nfs/dbraw/zinc/75/09/86/952750986.db2.gz HMQFYAURGDCIFU-UHFFFAOYSA-N -1 1 380.416 0.230 20 0 GCADMM Cn1cc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c(C2CC2)n1 ZINC001571165470 952750993 /nfs/dbraw/zinc/75/09/93/952750993.db2.gz HMQFYAURGDCIFU-UHFFFAOYSA-N -1 1 380.416 0.230 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571165539 952751800 /nfs/dbraw/zinc/75/18/00/952751800.db2.gz JGMRFDWFFQQYDH-MNOVXSKESA-N -1 1 380.416 0.195 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571165778 952755187 /nfs/dbraw/zinc/75/51/87/952755187.db2.gz KEDHYIMBUIIIJZ-YPMHNXCESA-N -1 1 380.416 0.542 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cn2c(n1)CCCC2 ZINC001571166088 952757075 /nfs/dbraw/zinc/75/70/75/952757075.db2.gz NIEJNPWUTUILRO-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cn2c(n1)CCCC2 ZINC001571166088 952757079 /nfs/dbraw/zinc/75/70/79/952757079.db2.gz NIEJNPWUTUILRO-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM Cc1ncncc1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571166078 952757258 /nfs/dbraw/zinc/75/72/58/952757258.db2.gz NBUOVTKLRZQQQE-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1ncncc1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571166078 952757260 /nfs/dbraw/zinc/75/72/60/952757260.db2.gz NBUOVTKLRZQQQE-UHFFFAOYSA-N -1 1 380.416 0.496 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166032 952757489 /nfs/dbraw/zinc/75/74/89/952757489.db2.gz MSRSCOGQXHNBLI-AAEUAGOBSA-N -1 1 380.416 0.050 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166032 952757497 /nfs/dbraw/zinc/75/74/97/952757497.db2.gz MSRSCOGQXHNBLI-AAEUAGOBSA-N -1 1 380.416 0.050 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(CC2CC2)c1 ZINC001571166099 952757960 /nfs/dbraw/zinc/75/79/60/952757960.db2.gz NNJVZGWHAWPDPA-CYBMUJFWSA-N -1 1 380.416 0.272 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(CC2CC2)c1 ZINC001571166099 952757965 /nfs/dbraw/zinc/75/79/65/952757965.db2.gz NNJVZGWHAWPDPA-CYBMUJFWSA-N -1 1 380.416 0.272 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571166179 952758023 /nfs/dbraw/zinc/75/80/23/952758023.db2.gz PIYYTXKMUQGOON-PWSUYJOCSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571166179 952758026 /nfs/dbraw/zinc/75/80/26/952758026.db2.gz PIYYTXKMUQGOON-PWSUYJOCSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571166143 952758356 /nfs/dbraw/zinc/75/83/56/952758356.db2.gz OQCQLULJHNTOIX-SMDDNHRTSA-N -1 1 380.416 0.429 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC001571166124 952758743 /nfs/dbraw/zinc/75/87/43/952758743.db2.gz OFURSPQXRBILBO-ZMLRMANQSA-N -1 1 380.416 0.244 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)[nH]1 ZINC001571166107 952758800 /nfs/dbraw/zinc/75/88/00/952758800.db2.gz NXDRABVUDWQOCJ-WOPDTQHZSA-N -1 1 380.416 0.536 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166116 952759012 /nfs/dbraw/zinc/75/90/12/952759012.db2.gz ODORMZRBOJRBJO-LLVKDONJSA-N -1 1 380.416 0.974 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571166221 952759429 /nfs/dbraw/zinc/75/94/29/952759429.db2.gz QIVYHPKGFFJYAB-LBPRGKRZSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571166221 952759432 /nfs/dbraw/zinc/75/94/32/952759432.db2.gz QIVYHPKGFFJYAB-LBPRGKRZSA-N -1 1 380.416 0.354 20 0 GCADMM O=C([C@@H]1CCc2nccn2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166359 952761149 /nfs/dbraw/zinc/76/11/49/952761149.db2.gz QZAGPQHDTKPWFR-VXGBXAGGSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@@H]1CCc2nccn2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166359 952761152 /nfs/dbraw/zinc/76/11/52/952761152.db2.gz QZAGPQHDTKPWFR-VXGBXAGGSA-N -1 1 380.416 0.129 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cn2c(n1)CCC2 ZINC001571166467 952761962 /nfs/dbraw/zinc/76/19/62/952761962.db2.gz RZUUDPZXQQVKBY-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cn2c(n1)CCC2 ZINC001571166467 952761966 /nfs/dbraw/zinc/76/19/66/952761966.db2.gz RZUUDPZXQQVKBY-NSHDSACASA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571166481 952762039 /nfs/dbraw/zinc/76/20/39/952762039.db2.gz SHWWPIJRZMECKX-QWRGUYRKSA-N -1 1 380.416 0.195 20 0 GCADMM O=C(c1cccnn1)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166459 952762079 /nfs/dbraw/zinc/76/20/79/952762079.db2.gz RXYSCDUCJMXYJH-GFCCVEGCSA-N -1 1 380.416 0.944 20 0 GCADMM O=C(c1cccnn1)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166459 952762081 /nfs/dbraw/zinc/76/20/81/952762081.db2.gz RXYSCDUCJMXYJH-GFCCVEGCSA-N -1 1 380.416 0.944 20 0 GCADMM O=C(CCc1ccncn1)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571166446 952762426 /nfs/dbraw/zinc/76/24/26/952762426.db2.gz RTNYQGCYMDAGJO-UHFFFAOYSA-N -1 1 380.416 0.118 20 0 GCADMM O=C(CCc1ccncn1)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571166446 952762431 /nfs/dbraw/zinc/76/24/31/952762431.db2.gz RTNYQGCYMDAGJO-UHFFFAOYSA-N -1 1 380.416 0.118 20 0 GCADMM CC(C)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571166582 952763348 /nfs/dbraw/zinc/76/33/48/952763348.db2.gz NHDGVFPPDDWBJR-UHFFFAOYSA-N -1 1 380.430 0.614 20 0 GCADMM CC(C)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571166582 952763356 /nfs/dbraw/zinc/76/33/56/952763356.db2.gz NHDGVFPPDDWBJR-UHFFFAOYSA-N -1 1 380.430 0.614 20 0 GCADMM O=C(c1cnn(C2CCC2)c1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571166691 952763857 /nfs/dbraw/zinc/76/38/57/952763857.db2.gz OGSXOVFCJJEXQW-GFCCVEGCSA-N -1 1 380.416 0.327 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166739 952763957 /nfs/dbraw/zinc/76/39/57/952763957.db2.gz VDEKDIQPYDPXFX-CYBMUJFWSA-N -1 1 380.416 0.444 20 0 GCADMM O=C(Cn1cc(C2CC2)cn1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166739 952763961 /nfs/dbraw/zinc/76/39/61/952763961.db2.gz VDEKDIQPYDPXFX-CYBMUJFWSA-N -1 1 380.416 0.444 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571166745 952764262 /nfs/dbraw/zinc/76/42/62/952764262.db2.gz VGDJIIFUOFOXCK-SRVKXCTJSA-N -1 1 380.416 0.096 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571166745 952764265 /nfs/dbraw/zinc/76/42/65/952764265.db2.gz VGDJIIFUOFOXCK-SRVKXCTJSA-N -1 1 380.416 0.096 20 0 GCADMM Cn1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1C1CC1 ZINC001571166764 952765393 /nfs/dbraw/zinc/76/53/93/952765393.db2.gz VNSINARBIGSLJR-NSHDSACASA-N -1 1 380.416 0.276 20 0 GCADMM Cn1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1C1CC1 ZINC001571166764 952765396 /nfs/dbraw/zinc/76/53/96/952765396.db2.gz VNSINARBIGSLJR-NSHDSACASA-N -1 1 380.416 0.276 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571166820 952765529 /nfs/dbraw/zinc/76/55/29/952765529.db2.gz WQKWWPPSVJBHOH-CHWSQXEVSA-N -1 1 380.416 0.543 20 0 GCADMM Cn1ccc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571166820 952765532 /nfs/dbraw/zinc/76/55/32/952765532.db2.gz WQKWWPPSVJBHOH-CHWSQXEVSA-N -1 1 380.416 0.543 20 0 GCADMM Cn1ccc(C(=O)N[C@@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571166839 952765761 /nfs/dbraw/zinc/76/57/61/952765761.db2.gz XRBAVUJRWNWDCC-CXAGYDPISA-N -1 1 380.416 0.322 20 0 GCADMM Cn1ccc(C(=O)N[C@@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571166839 952765764 /nfs/dbraw/zinc/76/57/64/952765764.db2.gz XRBAVUJRWNWDCC-CXAGYDPISA-N -1 1 380.416 0.322 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1c[nH]nc1C1CC1 ZINC001571166848 952766319 /nfs/dbraw/zinc/76/63/19/952766319.db2.gz XWVOBDBNWHBORW-LLVKDONJSA-N -1 1 380.416 0.656 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1c[nH]nc1C1CC1 ZINC001571166848 952766324 /nfs/dbraw/zinc/76/63/24/952766324.db2.gz XWVOBDBNWHBORW-LLVKDONJSA-N -1 1 380.416 0.656 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)c1cncnc1 ZINC001571166871 952766521 /nfs/dbraw/zinc/76/65/21/952766521.db2.gz YJTPZEAKJVHIMG-ZDUSSCGKSA-N -1 1 380.416 0.626 20 0 GCADMM O=C(NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)c1cncnc1 ZINC001571166871 952766526 /nfs/dbraw/zinc/76/65/26/952766526.db2.gz YJTPZEAKJVHIMG-ZDUSSCGKSA-N -1 1 380.416 0.626 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571170217 952784910 /nfs/dbraw/zinc/78/49/10/952784910.db2.gz GGASVZNFZQNLCP-NSHDSACASA-N -1 1 381.400 0.646 20 0 GCADMM CCc1c[nH]c(=O)c(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571170217 952784914 /nfs/dbraw/zinc/78/49/14/952784914.db2.gz GGASVZNFZQNLCP-NSHDSACASA-N -1 1 381.400 0.646 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571170748 952788113 /nfs/dbraw/zinc/78/81/13/952788113.db2.gz LDFICWVIJBVWRR-PWSUYJOCSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC001571170748 952788116 /nfs/dbraw/zinc/78/81/16/952788116.db2.gz LDFICWVIJBVWRR-PWSUYJOCSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571170792 952788737 /nfs/dbraw/zinc/78/87/37/952788737.db2.gz LPCPBVCRWWEOGA-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571171340 952793132 /nfs/dbraw/zinc/79/31/32/952793132.db2.gz QYZNIMBHHGIASW-YABSGUDNSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571171340 952793134 /nfs/dbraw/zinc/79/31/34/952793134.db2.gz QYZNIMBHHGIASW-YABSGUDNSA-N -1 1 381.400 0.633 20 0 GCADMM C[C@H]1CN(C(=O)c2ncccc2O)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171836 952797727 /nfs/dbraw/zinc/79/77/27/952797727.db2.gz XYVLCRWPGZMSDD-QWRGUYRKSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nccnc1-c1nn[nH]n1 ZINC001571171836 952797730 /nfs/dbraw/zinc/79/77/30/952797730.db2.gz XYVLCRWPGZMSDD-QWRGUYRKSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571171821 952798094 /nfs/dbraw/zinc/79/80/94/952798094.db2.gz XHYZDDGGFUIARF-PWSUYJOCSA-N -1 1 381.400 0.720 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001571171821 952798097 /nfs/dbraw/zinc/79/80/97/952798097.db2.gz XHYZDDGGFUIARF-PWSUYJOCSA-N -1 1 381.400 0.720 20 0 GCADMM Cn1cnc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571171899 952799114 /nfs/dbraw/zinc/79/91/14/952799114.db2.gz HVIUUCVHJWQNHJ-ZCFIWIBFSA-N -1 1 380.825 0.114 20 0 GCADMM Cn1cnc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571171899 952799115 /nfs/dbraw/zinc/79/91/15/952799115.db2.gz HVIUUCVHJWQNHJ-ZCFIWIBFSA-N -1 1 380.825 0.114 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001571172004 952800441 /nfs/dbraw/zinc/80/04/41/952800441.db2.gz ZZZKCPAJHPDKII-ONGXEEELSA-N -1 1 381.400 0.659 20 0 GCADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)NCc1nnc2n1CCCC2 ZINC001571172078 952801043 /nfs/dbraw/zinc/80/10/43/952801043.db2.gz LRKHNJYMIRBDKH-UHFFFAOYSA-N -1 1 380.459 0.476 20 0 GCADMM COc1cccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571174623 952812008 /nfs/dbraw/zinc/81/20/08/952812008.db2.gz CBYHJIRWKRGUKG-QGZVFWFLSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571174623 952812011 /nfs/dbraw/zinc/81/20/11/952812011.db2.gz CBYHJIRWKRGUKG-QGZVFWFLSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571174673 952812984 /nfs/dbraw/zinc/81/29/84/952812984.db2.gz DYLQQDSCCTVAIQ-LBPRGKRZSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571174673 952812990 /nfs/dbraw/zinc/81/29/90/952812990.db2.gz DYLQQDSCCTVAIQ-LBPRGKRZSA-N -1 1 381.400 0.459 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571174689 952813099 /nfs/dbraw/zinc/81/30/99/952813099.db2.gz FFNAHAHXKFRYKR-WDEREUQCSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571174689 952813105 /nfs/dbraw/zinc/81/31/05/952813105.db2.gz FFNAHAHXKFRYKR-WDEREUQCSA-N -1 1 381.400 0.775 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)no1 ZINC001571174756 952814503 /nfs/dbraw/zinc/81/45/03/952814503.db2.gz HJYYJEDRXDBUMH-AGIUHOORSA-N -1 1 381.400 0.422 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)c3ccc(=O)[nH]c3)C2)n1 ZINC001571174748 952814761 /nfs/dbraw/zinc/81/47/61/952814761.db2.gz HDMQOXHPZRDZAT-KLPPZKSPSA-N -1 1 381.400 0.686 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)c3ccc(=O)[nH]c3)C2)n1 ZINC001571174748 952814764 /nfs/dbraw/zinc/81/47/64/952814764.db2.gz HDMQOXHPZRDZAT-KLPPZKSPSA-N -1 1 381.400 0.686 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@@]3(C)C2)on1 ZINC001571174888 952815250 /nfs/dbraw/zinc/81/52/50/952815250.db2.gz LTGATAZAWYQNCH-DIFFPNOSSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@@]3(C)C2)on1 ZINC001571174888 952815255 /nfs/dbraw/zinc/81/52/55/952815255.db2.gz LTGATAZAWYQNCH-DIFFPNOSSA-N -1 1 381.400 0.552 20 0 GCADMM COc1cccnc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571174875 952815654 /nfs/dbraw/zinc/81/56/54/952815654.db2.gz LGOIGNOZPSMELR-NSHDSACASA-N -1 1 381.400 0.317 20 0 GCADMM COc1cccnc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571174875 952815661 /nfs/dbraw/zinc/81/56/61/952815661.db2.gz LGOIGNOZPSMELR-NSHDSACASA-N -1 1 381.400 0.317 20 0 GCADMM COc1cccnc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571174874 952815930 /nfs/dbraw/zinc/81/59/30/952815930.db2.gz LGOIGNOZPSMELR-LLVKDONJSA-N -1 1 381.400 0.317 20 0 GCADMM COc1cccnc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571174874 952815934 /nfs/dbraw/zinc/81/59/34/952815934.db2.gz LGOIGNOZPSMELR-LLVKDONJSA-N -1 1 381.400 0.317 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nnn[n-]4)n2)C3)on1 ZINC001571174928 952817264 /nfs/dbraw/zinc/81/72/64/952817264.db2.gz NANNSETXQHPPCD-GTNSWQLSSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nn[n-]n4)n2)C3)on1 ZINC001571174928 952817270 /nfs/dbraw/zinc/81/72/70/952817270.db2.gz NANNSETXQHPPCD-GTNSWQLSSA-N -1 1 381.400 0.742 20 0 GCADMM COc1cccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)n1 ZINC001571175112 952817591 /nfs/dbraw/zinc/81/75/91/952817591.db2.gz PPSPMFQNSWXLMP-WDEREUQCSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)n1 ZINC001571175112 952817599 /nfs/dbraw/zinc/81/75/99/952817599.db2.gz PPSPMFQNSWXLMP-WDEREUQCSA-N -1 1 381.400 0.775 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCN(C(=O)c4cocn4)C3)C2)n1 ZINC001571175135 952818457 /nfs/dbraw/zinc/81/84/57/952818457.db2.gz QJKDAGRRDATUJM-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCN(C(=O)c4cocn4)C3)C2)n1 ZINC001571175135 952818461 /nfs/dbraw/zinc/81/84/61/952818461.db2.gz QJKDAGRRDATUJM-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001571175080 952818706 /nfs/dbraw/zinc/81/87/06/952818706.db2.gz OYFRYRALGQIYCV-NOZJJQNGSA-N -1 1 381.400 0.777 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1cnoc1C1CC1 ZINC001571175080 952818710 /nfs/dbraw/zinc/81/87/10/952818710.db2.gz OYFRYRALGQIYCV-NOZJJQNGSA-N -1 1 381.400 0.777 20 0 GCADMM Cc1cccnc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571175346 952820434 /nfs/dbraw/zinc/82/04/34/952820434.db2.gz UCEWNQDXRCPUFW-LBPRGKRZSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1cccnc1C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571175346 952820437 /nfs/dbraw/zinc/82/04/37/952820437.db2.gz UCEWNQDXRCPUFW-LBPRGKRZSA-N -1 1 381.400 0.313 20 0 GCADMM Cc1nocc1C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571175362 952820805 /nfs/dbraw/zinc/82/08/05/952820805.db2.gz BGDKFEMDGNIYKT-VXGBXAGGSA-N -1 1 381.400 0.528 20 0 GCADMM Cc1ccc(C(=O)N(C)C2CC(Nc3nccnc3-c3nnn[n-]3)C2)c(=O)[nH]1 ZINC001571175559 952821765 /nfs/dbraw/zinc/82/17/65/952821765.db2.gz UXMVFXOHXFKBFY-UHFFFAOYSA-N -1 1 381.400 0.781 20 0 GCADMM Cc1ccc(C(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)c(=O)[nH]1 ZINC001571175559 952821773 /nfs/dbraw/zinc/82/17/73/952821773.db2.gz UXMVFXOHXFKBFY-UHFFFAOYSA-N -1 1 381.400 0.781 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571175575 952821914 /nfs/dbraw/zinc/82/19/14/952821914.db2.gz VLIICTUSGFFGJB-KOLCDFICSA-N -1 1 381.400 0.919 20 0 GCADMM CN(C[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571175621 952823230 /nfs/dbraw/zinc/82/32/30/952823230.db2.gz XJNIMKVWPLQRAK-LLVKDONJSA-N -1 1 381.400 0.356 20 0 GCADMM CN(C[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571175621 952823236 /nfs/dbraw/zinc/82/32/36/952823236.db2.gz XJNIMKVWPLQRAK-LLVKDONJSA-N -1 1 381.400 0.356 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)co1 ZINC001571175670 952824242 /nfs/dbraw/zinc/82/42/42/952824242.db2.gz DQKDTSPTMLIOJO-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM O=C(N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(=O)[nH]1 ZINC001571175703 952824446 /nfs/dbraw/zinc/82/44/46/952824446.db2.gz FMKZESFDBSQHMD-WDEREUQCSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(=O)[nH]1 ZINC001571175703 952824453 /nfs/dbraw/zinc/82/44/53/952824453.db2.gz FMKZESFDBSQHMD-WDEREUQCSA-N -1 1 381.400 0.910 20 0 GCADMM O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1)c1ncccc1[O-] ZINC001571175680 952824876 /nfs/dbraw/zinc/82/48/76/952824876.db2.gz DZZMLDBQECMNAI-WDEREUQCSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(CCc1ccc(=O)[nH]c1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571175752 952825415 /nfs/dbraw/zinc/82/54/15/952825415.db2.gz GUYPHCFPQMSQNA-UHFFFAOYSA-N -1 1 381.400 0.039 20 0 GCADMM O=C(CCc1ccc(=O)[nH]c1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571175752 952825418 /nfs/dbraw/zinc/82/54/18/952825418.db2.gz GUYPHCFPQMSQNA-UHFFFAOYSA-N -1 1 381.400 0.039 20 0 GCADMM COc1ncccc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571175742 952825683 /nfs/dbraw/zinc/82/56/83/952825683.db2.gz YJELLMHNDXUXOD-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM COc1ncccc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571175742 952825689 /nfs/dbraw/zinc/82/56/89/952825689.db2.gz YJELLMHNDXUXOD-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCCN(C(=O)c4ccon4)[C@@H]3C2)n1 ZINC001571175772 952826062 /nfs/dbraw/zinc/82/60/62/952826062.db2.gz ZIGRUNCGJHRKIA-SMDDNHRTSA-N -1 1 381.400 0.694 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCCN(C(=O)c4ccon4)[C@@H]3C2)n1 ZINC001571175772 952826069 /nfs/dbraw/zinc/82/60/69/952826069.db2.gz ZIGRUNCGJHRKIA-SMDDNHRTSA-N -1 1 381.400 0.694 20 0 GCADMM Cc1nocc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571175905 952826611 /nfs/dbraw/zinc/82/66/11/952826611.db2.gz HJQOISPPCVGXKF-YVEFUNNKSA-N -1 1 381.400 0.885 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1noc2c1CCCC2 ZINC001571176093 952827781 /nfs/dbraw/zinc/82/77/81/952827781.db2.gz KTUSDKQKZNJNGL-SNVBAGLBSA-N -1 1 381.400 0.532 20 0 GCADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1noc2c1CCCC2 ZINC001571176093 952827787 /nfs/dbraw/zinc/82/77/87/952827787.db2.gz KTUSDKQKZNJNGL-SNVBAGLBSA-N -1 1 381.400 0.532 20 0 GCADMM Cc1cnoc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571176175 952829738 /nfs/dbraw/zinc/82/97/38/952829738.db2.gz NMQIGNSAVMAGGB-SRVKXCTJSA-N -1 1 381.400 0.740 20 0 GCADMM Cc1cnoc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571176175 952829742 /nfs/dbraw/zinc/82/97/42/952829742.db2.gz NMQIGNSAVMAGGB-SRVKXCTJSA-N -1 1 381.400 0.740 20 0 GCADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1cc[nH]c(=O)c1 ZINC001571176179 952829953 /nfs/dbraw/zinc/82/99/53/952829953.db2.gz NQXQCRYJSGWRET-LBPRGKRZSA-N -1 1 381.400 0.546 20 0 GCADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1cc[nH]c(=O)c1 ZINC001571176179 952829957 /nfs/dbraw/zinc/82/99/57/952829957.db2.gz NQXQCRYJSGWRET-LBPRGKRZSA-N -1 1 381.400 0.546 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571176336 952830702 /nfs/dbraw/zinc/83/07/02/952830702.db2.gz PUBIWPVPXSBKAF-RYUDHWBXSA-N -1 1 381.400 0.149 20 0 GCADMM O=C(Cc1cnoc1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571176492 952832394 /nfs/dbraw/zinc/83/23/94/952832394.db2.gz RUMCHCHRHWBPLE-UONOGXRCSA-N -1 1 381.400 0.457 20 0 GCADMM O=C(Cc1cnoc1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571176492 952832401 /nfs/dbraw/zinc/83/24/01/952832401.db2.gz RUMCHCHRHWBPLE-UONOGXRCSA-N -1 1 381.400 0.457 20 0 GCADMM O=C(N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001571176562 952833697 /nfs/dbraw/zinc/83/36/97/952833697.db2.gz UVSGRDLPEMXANX-ZYHUDNBSSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cc[nH]c(=O)c1 ZINC001571176562 952833702 /nfs/dbraw/zinc/83/37/02/952833702.db2.gz UVSGRDLPEMXANX-ZYHUDNBSSA-N -1 1 381.400 0.768 20 0 GCADMM CC1=C(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)[C@@H](C)n2ncnc2N1C ZINC001571178430 952839890 /nfs/dbraw/zinc/83/98/90/952839890.db2.gz IQLSFBQVDMFNHF-MRVPVSSYSA-N -1 1 381.404 0.982 20 0 GCADMM O=C(c1ncccc1[O-])N1CCC[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571178459 952842147 /nfs/dbraw/zinc/84/21/47/952842147.db2.gz JJDPETYGUMZVNX-LLVKDONJSA-N -1 1 381.400 0.722 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cn(C2CCC2)nn1 ZINC001571178453 952842443 /nfs/dbraw/zinc/84/24/43/952842443.db2.gz JGJQTGYHDGUBLA-AOOOYVTPSA-N -1 1 381.404 0.346 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cn(C2CCC2)nn1 ZINC001571178453 952842449 /nfs/dbraw/zinc/84/24/49/952842449.db2.gz JGJQTGYHDGUBLA-AOOOYVTPSA-N -1 1 381.404 0.346 20 0 GCADMM O=C(c1ncccc1O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178648 952844581 /nfs/dbraw/zinc/84/45/81/952844581.db2.gz PTHJJCRQDXZUAL-NSHDSACASA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1ncccc1[O-])N1CC[C@H](CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571178648 952844588 /nfs/dbraw/zinc/84/45/88/952844588.db2.gz PTHJJCRQDXZUAL-NSHDSACASA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1ccon1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571178671 952844739 /nfs/dbraw/zinc/84/47/39/952844739.db2.gz QRMVIMREEMIDSS-DGCLKSJQSA-N -1 1 381.400 0.776 20 0 GCADMM O=C(c1cnco1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571178932 952850267 /nfs/dbraw/zinc/85/02/67/952850267.db2.gz YLLXQRSRJBMXFK-VXGBXAGGSA-N -1 1 381.400 0.776 20 0 GCADMM O=C(c1cnco1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571178929 952850919 /nfs/dbraw/zinc/85/09/19/952850919.db2.gz YLLXQRSRJBMXFK-NEPJUHHUSA-N -1 1 381.400 0.776 20 0 GCADMM O=C(c1cnco1)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571178981 952851084 /nfs/dbraw/zinc/85/10/84/952851084.db2.gz ZWMKGUMHQUXXPB-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM O=C(c1cnco1)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571178981 952851090 /nfs/dbraw/zinc/85/10/90/952851090.db2.gz ZWMKGUMHQUXXPB-UHFFFAOYSA-N -1 1 381.400 0.777 20 0 GCADMM CC(C)Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571181912 952865694 /nfs/dbraw/zinc/86/56/94/952865694.db2.gz ZRXGEGJKLCZPBH-JOCQHMNTSA-N -1 1 381.444 0.978 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@]3(F)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571183253 952875316 /nfs/dbraw/zinc/87/53/16/952875316.db2.gz UPZORHFIOSOZDV-BONVTDFDSA-N -1 1 381.437 0.845 20 0 GCADMM CCc1c(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571183533 952879460 /nfs/dbraw/zinc/87/94/60/952879460.db2.gz CWFBFFQIHCASLC-TXEJJXNPSA-N -1 1 381.444 0.600 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001571183862 952884635 /nfs/dbraw/zinc/88/46/35/952884635.db2.gz LEOUOCAWVYNMKO-LBPRGKRZSA-N -1 1 381.444 0.688 20 0 GCADMM CCc1c(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)ccn1C ZINC001571184329 952891413 /nfs/dbraw/zinc/89/14/13/952891413.db2.gz WEVUXOSBUVYJHK-LBPRGKRZSA-N -1 1 381.444 0.909 20 0 GCADMM CCc1c(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)ccn1C ZINC001571184329 952891423 /nfs/dbraw/zinc/89/14/23/952891423.db2.gz WEVUXOSBUVYJHK-LBPRGKRZSA-N -1 1 381.444 0.909 20 0 GCADMM CCn1cccc1C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571185277 952901003 /nfs/dbraw/zinc/90/10/03/952901003.db2.gz KIYPQGMHWOUZFO-CYBMUJFWSA-N -1 1 381.444 0.864 20 0 GCADMM Cc1c[nH]cc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571186661 952908678 /nfs/dbraw/zinc/90/86/78/952908678.db2.gz ZJECGZACLLMEQM-STQMWFEESA-N -1 1 381.444 0.925 20 0 GCADMM C[C@H](CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001571188491 952915843 /nfs/dbraw/zinc/91/58/43/952915843.db2.gz BUWSYIRUMDZKTG-SNVBAGLBSA-N -1 1 381.462 0.287 20 0 GCADMM O=C(Cc1ccc(Cl)s1)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571191075 952944094 /nfs/dbraw/zinc/94/40/94/952944094.db2.gz NMWIMXZCXCAWFM-UHFFFAOYSA-N -1 1 381.805 0.203 20 0 GCADMM O=C(N[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cnon1 ZINC001571192153 952947909 /nfs/dbraw/zinc/94/79/09/952947909.db2.gz SCBDLYRPAHVSCM-LURJTMIESA-N -1 1 381.809 0.758 20 0 GCADMM O=C(N[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cnon1 ZINC001571192153 952947912 /nfs/dbraw/zinc/94/79/12/952947912.db2.gz SCBDLYRPAHVSCM-LURJTMIESA-N -1 1 381.809 0.758 20 0 GCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001571194008 952955727 /nfs/dbraw/zinc/95/57/27/952955727.db2.gz DVVGCBIGEWBSQL-JTQLQIEISA-N -1 1 382.306 0.327 20 0 GCADMM O=C(N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(C(F)(F)F)CC1 ZINC001571194290 952960607 /nfs/dbraw/zinc/96/06/07/952960607.db2.gz JRLRKXBOGIXWPV-SECBINFHSA-N -1 1 382.350 0.682 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)ncn1 ZINC001571194363 952961610 /nfs/dbraw/zinc/96/16/10/952961610.db2.gz MQSLITQYGKSRAK-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)ncn1 ZINC001571194363 952961618 /nfs/dbraw/zinc/96/16/18/952961618.db2.gz MQSLITQYGKSRAK-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571194361 952962122 /nfs/dbraw/zinc/96/21/22/952962122.db2.gz MPYMXDOEWACFCH-UHFFFAOYSA-N -1 1 382.388 0.177 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571194361 952962124 /nfs/dbraw/zinc/96/21/24/952962124.db2.gz MPYMXDOEWACFCH-UHFFFAOYSA-N -1 1 382.388 0.177 20 0 GCADMM O=C(c1ccco1)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571194443 952962691 /nfs/dbraw/zinc/96/26/91/952962691.db2.gz MYMGCOSKXZYSOA-QGZVFWFLSA-N -1 1 382.384 0.371 20 0 GCADMM O=C(c1ccco1)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571194443 952962693 /nfs/dbraw/zinc/96/26/93/952962693.db2.gz MYMGCOSKXZYSOA-QGZVFWFLSA-N -1 1 382.384 0.371 20 0 GCADMM O=C(c1ccco1)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001571194442 952963487 /nfs/dbraw/zinc/96/34/87/952963487.db2.gz MYMGCOSKXZYSOA-KRWDZBQOSA-N -1 1 382.384 0.371 20 0 GCADMM O=C(c1ccco1)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001571194442 952963490 /nfs/dbraw/zinc/96/34/90/952963490.db2.gz MYMGCOSKXZYSOA-KRWDZBQOSA-N -1 1 382.384 0.371 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)o1 ZINC001571194544 952964411 /nfs/dbraw/zinc/96/44/11/952964411.db2.gz OUQLERIXGPPMON-MXWKQRLJSA-N -1 1 382.384 0.798 20 0 GCADMM COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)o1 ZINC001571194544 952964417 /nfs/dbraw/zinc/96/44/17/952964417.db2.gz OUQLERIXGPPMON-MXWKQRLJSA-N -1 1 382.384 0.798 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571194594 952965865 /nfs/dbraw/zinc/96/58/65/952965865.db2.gz PQJRUMMOPSQFHC-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571194594 952965868 /nfs/dbraw/zinc/96/58/68/952965868.db2.gz PQJRUMMOPSQFHC-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001571194711 952966611 /nfs/dbraw/zinc/96/66/11/952966611.db2.gz QNLAYDUOWKGNPQ-BXKDBHETSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001571194711 952966620 /nfs/dbraw/zinc/96/66/20/952966620.db2.gz QNLAYDUOWKGNPQ-BXKDBHETSA-N -1 1 382.388 0.028 20 0 GCADMM CC1(C)CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571194716 952966680 /nfs/dbraw/zinc/96/66/80/952966680.db2.gz RNEHQMGWUFBCQI-JTQLQIEISA-N -1 1 382.388 0.115 20 0 GCADMM CC1(C)CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571194716 952966688 /nfs/dbraw/zinc/96/66/88/952966688.db2.gz RNEHQMGWUFBCQI-JTQLQIEISA-N -1 1 382.388 0.115 20 0 GCADMM COc1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571194948 952971058 /nfs/dbraw/zinc/97/10/58/952971058.db2.gz VDGWHDHVPTWXOH-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM COc1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571194948 952971063 /nfs/dbraw/zinc/97/10/63/952971063.db2.gz VDGWHDHVPTWXOH-SNVBAGLBSA-N -1 1 382.388 0.172 20 0 GCADMM Cc1nonc1C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571194955 952971475 /nfs/dbraw/zinc/97/14/75/952971475.db2.gz VFUIZPHWHDHWHH-NSHDSACASA-N -1 1 382.388 0.137 20 0 GCADMM Cc1nonc1C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571194955 952971478 /nfs/dbraw/zinc/97/14/78/952971478.db2.gz VFUIZPHWHDHWHH-NSHDSACASA-N -1 1 382.388 0.137 20 0 GCADMM C[C@@]12CN(C(=O)c3cnon3)C[C@]1(C)CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571195180 952974990 /nfs/dbraw/zinc/97/49/90/952974990.db2.gz YXNALOQIURUIPH-IYBDPMFKSA-N -1 1 382.388 0.028 20 0 GCADMM C[C@@]12CN(C(=O)c3cnon3)C[C@]1(C)CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571195180 952974995 /nfs/dbraw/zinc/97/49/95/952974995.db2.gz YXNALOQIURUIPH-IYBDPMFKSA-N -1 1 382.388 0.028 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cc1ccc(F)cc1 ZINC001571197310 952988088 /nfs/dbraw/zinc/98/80/88/952988088.db2.gz VXNGXTWIWDOVLN-SMDDNHRTSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)Cc1ccc(F)cc1 ZINC001571197308 952988527 /nfs/dbraw/zinc/98/85/27/952988527.db2.gz VXNGXTWIWDOVLN-FZMZJTMJSA-N -1 1 382.403 0.862 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ccco2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571202515 953026539 /nfs/dbraw/zinc/02/65/39/953026539.db2.gz ZSJSVYFKKBBNJS-CHWSQXEVSA-N -1 1 382.428 0.811 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001571204619 953030906 /nfs/dbraw/zinc/03/09/06/953030906.db2.gz BRCAPJNGWUONRZ-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001571204619 953030913 /nfs/dbraw/zinc/03/09/13/953030913.db2.gz BRCAPJNGWUONRZ-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)[nH]n1 ZINC001571204611 953031169 /nfs/dbraw/zinc/03/11/69/953031169.db2.gz BMYUQNYWAIRHNQ-PWSUYJOCSA-N -1 1 382.432 0.730 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001571204596 953031315 /nfs/dbraw/zinc/03/13/15/953031315.db2.gz BKZWZHZKXWZTBE-QWHCGFSZSA-N -1 1 382.432 0.187 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571204673 953031454 /nfs/dbraw/zinc/03/14/54/953031454.db2.gz BMPPDLUPCJMSAC-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571204673 953031461 /nfs/dbraw/zinc/03/14/61/953031461.db2.gz BMPPDLUPCJMSAC-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001571204623 953031603 /nfs/dbraw/zinc/03/16/03/953031603.db2.gz BRCAPJNGWUONRZ-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001571204623 953031608 /nfs/dbraw/zinc/03/16/08/953031608.db2.gz BRCAPJNGWUONRZ-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571204839 953032808 /nfs/dbraw/zinc/03/28/08/953032808.db2.gz CSCWTLXUFXVAMZ-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571204839 953032811 /nfs/dbraw/zinc/03/28/11/953032811.db2.gz CSCWTLXUFXVAMZ-DGCLKSJQSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccn(C)n1 ZINC001571204916 953033367 /nfs/dbraw/zinc/03/33/67/953033367.db2.gz FRGHCKXWINAYQH-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001571204916 953033374 /nfs/dbraw/zinc/03/33/74/953033374.db2.gz FRGHCKXWINAYQH-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571204889 953033617 /nfs/dbraw/zinc/03/36/17/953033617.db2.gz DZXCLFZAKWFKJN-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571204889 953033623 /nfs/dbraw/zinc/03/36/23/953033623.db2.gz DZXCLFZAKWFKJN-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001571204896 953033750 /nfs/dbraw/zinc/03/37/50/953033750.db2.gz FIAOQLHOJSLDNC-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001571204896 953033753 /nfs/dbraw/zinc/03/37/53/953033753.db2.gz FIAOQLHOJSLDNC-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571204888 953033807 /nfs/dbraw/zinc/03/38/07/953033807.db2.gz DZXCLFZAKWFKJN-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571204888 953033811 /nfs/dbraw/zinc/03/38/11/953033811.db2.gz DZXCLFZAKWFKJN-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CCn1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C)n1 ZINC001571204917 953033986 /nfs/dbraw/zinc/03/39/86/953033986.db2.gz FTVUGQFDSVLNOI-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C)n1 ZINC001571204917 953033991 /nfs/dbraw/zinc/03/39/91/953033991.db2.gz FTVUGQFDSVLNOI-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnn(C)c2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571204862 953034001 /nfs/dbraw/zinc/03/40/01/953034001.db2.gz DFSLSFZLTJZJGY-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnn(C)c2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571204862 953034006 /nfs/dbraw/zinc/03/40/06/953034006.db2.gz DFSLSFZLTJZJGY-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571204897 953034163 /nfs/dbraw/zinc/03/41/63/953034163.db2.gz FKBLKARDSPMAAB-CYBMUJFWSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571204897 953034164 /nfs/dbraw/zinc/03/41/64/953034164.db2.gz FKBLKARDSPMAAB-CYBMUJFWSA-N -1 1 382.432 0.372 20 0 GCADMM CCc1cc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)CC2)[nH]n1 ZINC001571205178 953035769 /nfs/dbraw/zinc/03/57/69/953035769.db2.gz GWRNQANWHXCIDZ-UHFFFAOYSA-N -1 1 382.432 0.467 20 0 GCADMM CCc1nn(C)cc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571205179 953035811 /nfs/dbraw/zinc/03/58/11/953035811.db2.gz GYNAIFOYAIFBRX-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nn(C)cc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571205179 953035815 /nfs/dbraw/zinc/03/58/15/953035815.db2.gz GYNAIFOYAIFBRX-LLVKDONJSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)c3ccnn3C)C2)n1 ZINC001571205160 953035910 /nfs/dbraw/zinc/03/59/10/953035910.db2.gz GTTNMALTVKKGSB-LLVKDONJSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)c3ccnn3C)C2)n1 ZINC001571205160 953035914 /nfs/dbraw/zinc/03/59/14/953035914.db2.gz GTTNMALTVKKGSB-LLVKDONJSA-N -1 1 382.432 0.351 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001571205330 953036995 /nfs/dbraw/zinc/03/69/95/953036995.db2.gz HAGJLSSPCPAWTF-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001571205330 953037000 /nfs/dbraw/zinc/03/70/00/953037000.db2.gz HAGJLSSPCPAWTF-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)c3c[nH]nc3C)CC2)n1 ZINC001571205202 953037204 /nfs/dbraw/zinc/03/72/04/953037204.db2.gz HJJQZEVEKZFMLJ-UHFFFAOYSA-N -1 1 382.432 0.603 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)c3c[nH]nc3C)CC2)n1 ZINC001571205202 953037206 /nfs/dbraw/zinc/03/72/06/953037206.db2.gz HJJQZEVEKZFMLJ-UHFFFAOYSA-N -1 1 382.432 0.603 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571205216 953037406 /nfs/dbraw/zinc/03/74/06/953037406.db2.gz HQDPAVUHVOGXMX-NSHDSACASA-N -1 1 382.432 0.351 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571205216 953037410 /nfs/dbraw/zinc/03/74/10/953037410.db2.gz HQDPAVUHVOGXMX-NSHDSACASA-N -1 1 382.432 0.351 20 0 GCADMM CCCn1nccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571205448 953037888 /nfs/dbraw/zinc/03/78/88/953037888.db2.gz JDMZMKOBLOUBCN-NEPJUHHUSA-N -1 1 382.432 0.400 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571205376 953038166 /nfs/dbraw/zinc/03/81/66/953038166.db2.gz IKZUWYSSKYJRSF-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CCn1cc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)c(C)n1 ZINC001571205441 953038250 /nfs/dbraw/zinc/03/82/50/953038250.db2.gz IXPVJDDNKBRBTD-UHFFFAOYSA-N -1 1 382.432 0.802 20 0 GCADMM CCn1cc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)c(C)n1 ZINC001571205441 953038252 /nfs/dbraw/zinc/03/82/52/953038252.db2.gz IXPVJDDNKBRBTD-UHFFFAOYSA-N -1 1 382.432 0.802 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001571205439 953038437 /nfs/dbraw/zinc/03/84/37/953038437.db2.gz ITLHGPHNEIXIPH-LBPRGKRZSA-N -1 1 382.432 0.091 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571205463 953038826 /nfs/dbraw/zinc/03/88/26/953038826.db2.gz JLQSLVSRKHIQPS-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001571205510 953039028 /nfs/dbraw/zinc/03/90/28/953039028.db2.gz KSWICDUNJAICMI-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001571205510 953039030 /nfs/dbraw/zinc/03/90/30/953039030.db2.gz KSWICDUNJAICMI-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM CCCc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571205523 953039056 /nfs/dbraw/zinc/03/90/56/953039056.db2.gz LCODYQFOGDASQK-LLVKDONJSA-N -1 1 382.432 0.589 20 0 GCADMM CCCc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571205523 953039058 /nfs/dbraw/zinc/03/90/58/953039058.db2.gz LCODYQFOGDASQK-LLVKDONJSA-N -1 1 382.432 0.589 20 0 GCADMM CCCc1n[nH]cc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205584 953039239 /nfs/dbraw/zinc/03/92/39/953039239.db2.gz LFAMXRUUKQJMJZ-NSHDSACASA-N -1 1 382.432 0.649 20 0 GCADMM CCCc1n[nH]cc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205584 953039242 /nfs/dbraw/zinc/03/92/42/953039242.db2.gz LFAMXRUUKQJMJZ-NSHDSACASA-N -1 1 382.432 0.649 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571205612 953039883 /nfs/dbraw/zinc/03/98/83/953039883.db2.gz LPGBSYYLPKKIGW-RYUDHWBXSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571205612 953039887 /nfs/dbraw/zinc/03/98/87/953039887.db2.gz LPGBSYYLPKKIGW-RYUDHWBXSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205629 953039899 /nfs/dbraw/zinc/03/98/99/953039899.db2.gz MBUXCBGQRNGKDQ-BXUZGUMPSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cncn2C)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571205630 953040033 /nfs/dbraw/zinc/04/00/33/953040033.db2.gz MBUXCBGQRNGKDQ-FZMZJTMJSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)Cc2ccn(C)n2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571205613 953040156 /nfs/dbraw/zinc/04/01/56/953040156.db2.gz LPGBSYYLPKKIGW-VXGBXAGGSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)Cc2ccn(C)n2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571205613 953040159 /nfs/dbraw/zinc/04/01/59/953040159.db2.gz LPGBSYYLPKKIGW-VXGBXAGGSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1CN(C(=O)c2ccnn2C)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571205595 953040211 /nfs/dbraw/zinc/04/02/11/953040211.db2.gz LKKSOUJSIZSAEN-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CN(C(=O)c2ccnn2C)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571205595 953040213 /nfs/dbraw/zinc/04/02/13/953040213.db2.gz LKKSOUJSIZSAEN-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CN(C(=O)c2cncn2C)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571205651 953040390 /nfs/dbraw/zinc/04/03/90/953040390.db2.gz MMVONTGYISVJJI-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CN(C(=O)c2cncn2C)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571205651 953040394 /nfs/dbraw/zinc/04/03/94/953040394.db2.gz MMVONTGYISVJJI-NWDGAFQWSA-N -1 1 382.432 0.601 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571205670 953040455 /nfs/dbraw/zinc/04/04/55/953040455.db2.gz KPIXBHUPTGKBNK-CRQFQMBKSA-N -1 1 382.428 0.119 20 0 GCADMM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571205670 953040459 /nfs/dbraw/zinc/04/04/59/953040459.db2.gz KPIXBHUPTGKBNK-CRQFQMBKSA-N -1 1 382.428 0.119 20 0 GCADMM CCc1cc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571205624 953040469 /nfs/dbraw/zinc/04/04/69/953040469.db2.gz LSOWORXKEOTURX-LBPRGKRZSA-N -1 1 382.432 0.471 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571205637 953040654 /nfs/dbraw/zinc/04/06/54/953040654.db2.gz MHJSCVNYGWLBED-WCQYABFASA-N -1 1 382.432 0.884 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571205637 953040656 /nfs/dbraw/zinc/04/06/56/953040656.db2.gz MHJSCVNYGWLBED-WCQYABFASA-N -1 1 382.432 0.884 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001571205656 953040690 /nfs/dbraw/zinc/04/06/90/953040690.db2.gz MOEGBGWBRVCVJS-NWDGAFQWSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@H](NC(=O)c1ccn(C)n1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571205789 953042120 /nfs/dbraw/zinc/04/21/20/953042120.db2.gz AUJPOEBQCFMWCI-NSHDSACASA-N -1 1 382.432 0.425 20 0 GCADMM C[C@H](NC(=O)c1ccn(C)n1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571205789 953042124 /nfs/dbraw/zinc/04/21/24/953042124.db2.gz AUJPOEBQCFMWCI-NSHDSACASA-N -1 1 382.432 0.425 20 0 GCADMM CCn1ccc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571205806 953042337 /nfs/dbraw/zinc/04/23/37/953042337.db2.gz BHKJZGVVAANMJJ-LBPRGKRZSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1ccc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205806 953042341 /nfs/dbraw/zinc/04/23/41/953042341.db2.gz BHKJZGVVAANMJJ-LBPRGKRZSA-N -1 1 382.432 0.520 20 0 GCADMM Cc1[nH]nc(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571205872 953043354 /nfs/dbraw/zinc/04/33/54/953043354.db2.gz CSIJSEXWLKEQFV-KRWDZBQOSA-N -1 1 382.432 0.961 20 0 GCADMM Cc1[nH]nc(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571205872 953043360 /nfs/dbraw/zinc/04/33/60/953043360.db2.gz CSIJSEXWLKEQFV-KRWDZBQOSA-N -1 1 382.432 0.961 20 0 GCADMM C[C@@H]1C[C@H](NC(=O)Cc2cncn2C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571205892 953044023 /nfs/dbraw/zinc/04/40/23/953044023.db2.gz NMZZLKUWTSZXTD-VXGBXAGGSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001571206088 953047009 /nfs/dbraw/zinc/04/70/09/953047009.db2.gz RQXRFKFAAXKETB-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001571206088 953047014 /nfs/dbraw/zinc/04/70/14/953047014.db2.gz RQXRFKFAAXKETB-LBPRGKRZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001571206187 953048267 /nfs/dbraw/zinc/04/82/67/953048267.db2.gz MWJDNSIBUVAMGV-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001571206187 953048268 /nfs/dbraw/zinc/04/82/68/953048268.db2.gz MWJDNSIBUVAMGV-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM CC[C@H]1CN(C(=O)c2c[nH]c(C)n2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571206177 953048349 /nfs/dbraw/zinc/04/83/49/953048349.db2.gz RZWIXEFHTZQION-RYUDHWBXSA-N -1 1 382.432 0.463 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571206312 953048820 /nfs/dbraw/zinc/04/88/20/953048820.db2.gz FMNSMUDTAOMETJ-IINYFYTJSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1ncc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206312 953048822 /nfs/dbraw/zinc/04/88/22/953048822.db2.gz FMNSMUDTAOMETJ-IINYFYTJSA-N -1 1 382.432 0.754 20 0 GCADMM CCc1nc(NC[C@H]2CCC[C@@H]2NC(=O)c2cn[nH]c2)cc(-c2nnn[n-]2)n1 ZINC001571206264 953049400 /nfs/dbraw/zinc/04/94/00/953049400.db2.gz SSHPUQVCPHMZBN-PWSUYJOCSA-N -1 1 382.432 0.953 20 0 GCADMM CCc1nc(NC[C@H]2CCC[C@@H]2NC(=O)c2cn[nH]c2)cc(-c2nn[n-]n2)n1 ZINC001571206264 953049404 /nfs/dbraw/zinc/04/94/04/953049404.db2.gz SSHPUQVCPHMZBN-PWSUYJOCSA-N -1 1 382.432 0.953 20 0 GCADMM CCc1nc(NC[C@H]2CCC[C@H]2NC(=O)c2cn[nH]c2)cc(-c2nnn[n-]2)n1 ZINC001571206267 953049441 /nfs/dbraw/zinc/04/94/41/953049441.db2.gz SSHPUQVCPHMZBN-ZYHUDNBSSA-N -1 1 382.432 0.953 20 0 GCADMM CCc1nc(NC[C@H]2CCC[C@H]2NC(=O)c2cn[nH]c2)cc(-c2nn[n-]n2)n1 ZINC001571206267 953049444 /nfs/dbraw/zinc/04/94/44/953049444.db2.gz SSHPUQVCPHMZBN-ZYHUDNBSSA-N -1 1 382.432 0.953 20 0 GCADMM CCn1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571206294 953049594 /nfs/dbraw/zinc/04/95/94/953049594.db2.gz FKYNDVWKGDDKCR-NEPJUHHUSA-N -1 1 382.432 0.660 20 0 GCADMM CCn1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571206294 953049598 /nfs/dbraw/zinc/04/95/98/953049598.db2.gz FKYNDVWKGDDKCR-NEPJUHHUSA-N -1 1 382.432 0.660 20 0 GCADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)CCc1cnc[nH]1 ZINC001571206342 953050327 /nfs/dbraw/zinc/05/03/27/953050327.db2.gz UCBSNWVCHOVZDE-VXGBXAGGSA-N -1 1 382.432 0.804 20 0 GCADMM CCCn1nccc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571206449 953050743 /nfs/dbraw/zinc/05/07/43/953050743.db2.gz URKIZHXOJTYSMY-HAQNSBGRSA-N -1 1 382.432 0.884 20 0 GCADMM CCCn1nccc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571206449 953050748 /nfs/dbraw/zinc/05/07/48/953050748.db2.gz URKIZHXOJTYSMY-HAQNSBGRSA-N -1 1 382.432 0.884 20 0 GCADMM CCc1n[nH]cc1C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571206452 953050802 /nfs/dbraw/zinc/05/08/02/953050802.db2.gz UTLDXZZSEIBCGU-UHFFFAOYSA-N -1 1 382.432 0.683 20 0 GCADMM CCc1n[nH]cc1C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571206452 953050806 /nfs/dbraw/zinc/05/08/06/953050806.db2.gz UTLDXZZSEIBCGU-UHFFFAOYSA-N -1 1 382.432 0.683 20 0 GCADMM Cc1c[nH]c(C(=O)NC[C@H]2CCCCN2c2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001571206518 953052334 /nfs/dbraw/zinc/05/23/34/953052334.db2.gz HUYCRKRJBDQMKK-GFCCVEGCSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1c[nH]c(C(=O)NC[C@H]2CCCCN2c2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001571206518 953052336 /nfs/dbraw/zinc/05/23/36/953052336.db2.gz HUYCRKRJBDQMKK-GFCCVEGCSA-N -1 1 382.432 0.786 20 0 GCADMM CCn1cnc(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571206618 953053167 /nfs/dbraw/zinc/05/31/67/953053167.db2.gz INSIKTIMBCGCTD-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM CCn1cnc(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571206618 953053169 /nfs/dbraw/zinc/05/31/69/953053169.db2.gz INSIKTIMBCGCTD-GFCCVEGCSA-N -1 1 382.432 0.614 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@H](C)[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571206567 953053206 /nfs/dbraw/zinc/05/32/06/953053206.db2.gz IIBIYLGDWYBGJG-CMPLNLGQSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1c[nH]c(C(=O)N2CC[C@H](C)[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571206567 953053207 /nfs/dbraw/zinc/05/32/07/953053207.db2.gz IIBIYLGDWYBGJG-CMPLNLGQSA-N -1 1 382.432 0.899 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1=CCOCC1 ZINC001571206588 953053222 /nfs/dbraw/zinc/05/32/22/953053222.db2.gz RETKPOJFWVGVTM-AWEZNQCLSA-N -1 1 382.428 0.479 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1=CCOCC1 ZINC001571206588 953053223 /nfs/dbraw/zinc/05/32/23/953053223.db2.gz RETKPOJFWVGVTM-AWEZNQCLSA-N -1 1 382.428 0.479 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571206673 953054248 /nfs/dbraw/zinc/05/42/48/953054248.db2.gz WBNIXADYHPNEKW-CMPLNLGQSA-N -1 1 382.432 0.375 20 0 GCADMM CCn1ccnc1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571206827 953056710 /nfs/dbraw/zinc/05/67/10/953056710.db2.gz LCLOWPYWRIOMNT-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM CCn1ccnc1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571206827 953056713 /nfs/dbraw/zinc/05/67/13/953056713.db2.gz LCLOWPYWRIOMNT-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](NC(=O)c1ccn(C)n1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207023 953058418 /nfs/dbraw/zinc/05/84/18/953058418.db2.gz ZUUCWFGSEHNTFV-NEPJUHHUSA-N -1 1 382.432 0.425 20 0 GCADMM C[C@@H](NC(=O)c1ccn(C)n1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207023 953058420 /nfs/dbraw/zinc/05/84/20/953058420.db2.gz ZUUCWFGSEHNTFV-NEPJUHHUSA-N -1 1 382.432 0.425 20 0 GCADMM CCn1cnc(C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571207056 953059350 /nfs/dbraw/zinc/05/93/50/953059350.db2.gz MCQLSBLYLDFQCO-UHFFFAOYSA-N -1 1 382.432 0.980 20 0 GCADMM CCn1cnc(C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571207056 953059352 /nfs/dbraw/zinc/05/93/52/953059352.db2.gz MCQLSBLYLDFQCO-UHFFFAOYSA-N -1 1 382.432 0.980 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)Cn3cccn3)CC2)n1 ZINC001571207166 953059849 /nfs/dbraw/zinc/05/98/49/953059849.db2.gz OEQGQOTXBGELRN-CYBMUJFWSA-N -1 1 382.432 0.337 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)Cn3cccn3)CC2)n1 ZINC001571207166 953059853 /nfs/dbraw/zinc/05/98/53/953059853.db2.gz OEQGQOTXBGELRN-CYBMUJFWSA-N -1 1 382.432 0.337 20 0 GCADMM CCn1ccc(CC(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207124 953060228 /nfs/dbraw/zinc/06/02/28/953060228.db2.gz NJPXGQVTSOHCPK-ZDUSSCGKSA-N -1 1 382.432 0.119 20 0 GCADMM CCn1ccc(CC(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207124 953060231 /nfs/dbraw/zinc/06/02/31/953060231.db2.gz NJPXGQVTSOHCPK-ZDUSSCGKSA-N -1 1 382.432 0.119 20 0 GCADMM CCn1ccc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C(C)(C)C2)n1 ZINC001571207175 953060314 /nfs/dbraw/zinc/06/03/14/953060314.db2.gz OKKGQCOLXCVQQO-CYBMUJFWSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ccc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C(C)(C)C2)n1 ZINC001571207175 953060317 /nfs/dbraw/zinc/06/03/17/953060317.db2.gz OKKGQCOLXCVQQO-CYBMUJFWSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ccnc1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207247 953060691 /nfs/dbraw/zinc/06/06/91/953060691.db2.gz OZRGFNSNXWHIJN-NWDGAFQWSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccnc1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207247 953060693 /nfs/dbraw/zinc/06/06/93/953060693.db2.gz OZRGFNSNXWHIJN-NWDGAFQWSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571207237 953061313 /nfs/dbraw/zinc/06/13/13/953061313.db2.gz OUHSBNZFIRMBSO-VXGBXAGGSA-N -1 1 382.432 0.660 20 0 GCADMM Cc1c(C(=O)N[C@H]2CC[C@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571207312 953061889 /nfs/dbraw/zinc/06/18/89/953061889.db2.gz QIPVPHOWJXNOCF-JQWIXIFHSA-N -1 1 382.432 0.486 20 0 GCADMM CCn1cc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571207428 953062666 /nfs/dbraw/zinc/06/26/66/953062666.db2.gz RMAXQUWLZJNCMU-LBPRGKRZSA-N -1 1 382.432 0.438 20 0 GCADMM CCn1cc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571207428 953062669 /nfs/dbraw/zinc/06/26/69/953062669.db2.gz RMAXQUWLZJNCMU-LBPRGKRZSA-N -1 1 382.432 0.438 20 0 GCADMM CCn1cc(CC(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571207430 953062712 /nfs/dbraw/zinc/06/27/12/953062712.db2.gz RMMABDUAKPANQD-AULYBMBSSA-N -1 1 382.432 0.423 20 0 GCADMM CCn1cc(CC(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571207430 953062717 /nfs/dbraw/zinc/06/27/17/953062717.db2.gz RMMABDUAKPANQD-AULYBMBSSA-N -1 1 382.432 0.423 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)n(C)n1 ZINC001571207504 953063319 /nfs/dbraw/zinc/06/33/19/953063319.db2.gz VAZCUAUHZGQQDE-HAQNSBGRSA-N -1 1 382.432 0.628 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001571207504 953063321 /nfs/dbraw/zinc/06/33/21/953063321.db2.gz VAZCUAUHZGQQDE-HAQNSBGRSA-N -1 1 382.432 0.628 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@H](NC(=O)c3cnn(C)c3)C2)n1 ZINC001571207510 953063698 /nfs/dbraw/zinc/06/36/98/953063698.db2.gz VHDDAZMKASMVNS-AAEUAGOBSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@H](NC(=O)c3cnn(C)c3)C2)n1 ZINC001571207510 953063701 /nfs/dbraw/zinc/06/37/01/953063701.db2.gz VHDDAZMKASMVNS-AAEUAGOBSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1c(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cnn1C(C)C ZINC001571207501 953063849 /nfs/dbraw/zinc/06/38/49/953063849.db2.gz UZODESWKHOWEPP-LBPRGKRZSA-N -1 1 382.432 0.751 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)Cc1ccn(C)n1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571207502 953063914 /nfs/dbraw/zinc/06/39/14/953063914.db2.gz VATLEONMETXAIE-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)Cc1ccn(C)n1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571207502 953063916 /nfs/dbraw/zinc/06/39/16/953063916.db2.gz VATLEONMETXAIE-CYBMUJFWSA-N -1 1 382.432 0.060 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)Cc3ccn(C)n3)CC2)n1 ZINC001571207549 953064257 /nfs/dbraw/zinc/06/42/57/953064257.db2.gz WBNVMTZXDRWFIL-UHFFFAOYSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)Cc3ccn(C)n3)CC2)n1 ZINC001571207549 953064259 /nfs/dbraw/zinc/06/42/59/953064259.db2.gz WBNVMTZXDRWFIL-UHFFFAOYSA-N -1 1 382.432 0.026 20 0 GCADMM CN(C(=O)c1ccnn1C)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571207581 953064374 /nfs/dbraw/zinc/06/43/74/953064374.db2.gz XHWBIZVQRVSLFH-UHFFFAOYSA-N -1 1 382.432 0.886 20 0 GCADMM CN(C(=O)c1ccnn1C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571207581 953064378 /nfs/dbraw/zinc/06/43/78/953064378.db2.gz XHWBIZVQRVSLFH-UHFFFAOYSA-N -1 1 382.432 0.886 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571207575 953064613 /nfs/dbraw/zinc/06/46/13/953064613.db2.gz XCFNNNIABLSELD-PWSUYJOCSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571207575 953064616 /nfs/dbraw/zinc/06/46/16/953064616.db2.gz XCFNNNIABLSELD-PWSUYJOCSA-N -1 1 382.432 0.899 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571207519 953064636 /nfs/dbraw/zinc/06/46/36/953064636.db2.gz VJXSRBCPRHABTA-LBPRGKRZSA-N -1 1 382.432 0.472 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571207519 953064640 /nfs/dbraw/zinc/06/46/40/953064640.db2.gz VJXSRBCPRHABTA-LBPRGKRZSA-N -1 1 382.432 0.472 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1C ZINC001571207556 953064733 /nfs/dbraw/zinc/06/47/33/953064733.db2.gz WJGRTCDMSKYAGK-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1C ZINC001571207556 953064734 /nfs/dbraw/zinc/06/47/34/953064734.db2.gz WJGRTCDMSKYAGK-LBPRGKRZSA-N -1 1 382.432 0.898 20 0 GCADMM Cc1c(CC(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571207610 953065261 /nfs/dbraw/zinc/06/52/61/953065261.db2.gz XWOAATBXWGEMEU-AULYBMBSSA-N -1 1 382.432 0.248 20 0 GCADMM Cc1c(CC(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571207610 953065266 /nfs/dbraw/zinc/06/52/66/953065266.db2.gz XWOAATBXWGEMEU-AULYBMBSSA-N -1 1 382.432 0.248 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccnn3C)C[C@H]2C)n1 ZINC001571207635 953065294 /nfs/dbraw/zinc/06/52/94/953065294.db2.gz YKFTZOHRIZFRID-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccnn3C)C[C@H]2C)n1 ZINC001571207635 953065296 /nfs/dbraw/zinc/06/52/96/953065296.db2.gz YKFTZOHRIZFRID-PWSUYJOCSA-N -1 1 382.432 0.661 20 0 GCADMM O=C(Cc1cc[nH]n1)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571209728 953066729 /nfs/dbraw/zinc/06/67/29/953066729.db2.gz BYERGFDGIMLQSE-ZDUSSCGKSA-N -1 1 382.432 0.228 20 0 GCADMM O=C(Cn1cccn1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571209871 953068484 /nfs/dbraw/zinc/06/84/84/953068484.db2.gz HKJXRRBHIOLPKP-CYBMUJFWSA-N -1 1 382.432 0.737 20 0 GCADMM O=C(Cn1cccn1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571209871 953068486 /nfs/dbraw/zinc/06/84/86/953068486.db2.gz HKJXRRBHIOLPKP-CYBMUJFWSA-N -1 1 382.432 0.737 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)n1 ZINC001571209860 953068776 /nfs/dbraw/zinc/06/87/76/953068776.db2.gz HAUGYVVGGCPKNX-AWEZNQCLSA-N -1 1 382.450 0.229 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)n1 ZINC001571209860 953068779 /nfs/dbraw/zinc/06/87/79/953068779.db2.gz HAUGYVVGGCPKNX-AWEZNQCLSA-N -1 1 382.450 0.229 20 0 GCADMM O=C(Cn1cccn1)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571210010 953069580 /nfs/dbraw/zinc/06/95/80/953069580.db2.gz LREIEISRTMHYGF-ZDUSSCGKSA-N -1 1 382.432 0.016 20 0 GCADMM O=C(Cn1ccnc1)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571210219 953071284 /nfs/dbraw/zinc/07/12/84/953071284.db2.gz ONGRSDDGPXWAJX-STQMWFEESA-N -1 1 382.432 0.640 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571210437 953071933 /nfs/dbraw/zinc/07/19/33/953071933.db2.gz RROJSYJLCGRHFI-GFCCVEGCSA-N -1 1 382.432 0.806 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571210538 953072211 /nfs/dbraw/zinc/07/22/11/953072211.db2.gz RROJSYJLCGRHFI-LBPRGKRZSA-N -1 1 382.432 0.806 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)s1 ZINC001571210623 953073141 /nfs/dbraw/zinc/07/31/41/953073141.db2.gz URQOGZSRRHTIHF-IMRBUKKESA-N -1 1 382.453 0.820 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)s1 ZINC001571210623 953073144 /nfs/dbraw/zinc/07/31/44/953073144.db2.gz URQOGZSRRHTIHF-IMRBUKKESA-N -1 1 382.453 0.820 20 0 GCADMM Cn1cncc1CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571211483 953077514 /nfs/dbraw/zinc/07/75/14/953077514.db2.gz BPJDDSPOBHGPDR-RYUDHWBXSA-N -1 1 382.432 0.330 20 0 GCADMM Cn1cncc1CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571211483 953077516 /nfs/dbraw/zinc/07/75/16/953077516.db2.gz BPJDDSPOBHGPDR-RYUDHWBXSA-N -1 1 382.432 0.330 20 0 GCADMM Cc1nn(C)cc1CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211644 953079441 /nfs/dbraw/zinc/07/94/41/953079441.db2.gz DOMOMSATBNKSJV-ZDUSSCGKSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1nn(C)cc1CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211644 953079444 /nfs/dbraw/zinc/07/94/44/953079444.db2.gz DOMOMSATBNKSJV-ZDUSSCGKSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211639 953079676 /nfs/dbraw/zinc/07/96/76/953079676.db2.gz DIFLQQJCIXSSPW-LBPRGKRZSA-N -1 1 382.432 0.276 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211657 953079688 /nfs/dbraw/zinc/07/96/88/953079688.db2.gz DYGCYKKOIXUFBH-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211657 953079691 /nfs/dbraw/zinc/07/96/91/953079691.db2.gz DYGCYKKOIXUFBH-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571211811 953081234 /nfs/dbraw/zinc/08/12/34/953081234.db2.gz GGJICDUARLWRBM-JOYOIKCWSA-N -1 1 382.432 0.959 20 0 GCADMM Cc1nc(C)c(C(=O)N2CC[C@@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571211811 953081238 /nfs/dbraw/zinc/08/12/38/953081238.db2.gz GGJICDUARLWRBM-JOYOIKCWSA-N -1 1 382.432 0.959 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001571211872 953081351 /nfs/dbraw/zinc/08/13/51/953081351.db2.gz HRCRWVBKNHMORI-LBPRGKRZSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571211872 953081357 /nfs/dbraw/zinc/08/13/57/953081357.db2.gz HRCRWVBKNHMORI-LBPRGKRZSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1cnn(CCC(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571211952 953082320 /nfs/dbraw/zinc/08/23/20/953082320.db2.gz IWGMOWOGSKNSBR-CYBMUJFWSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1cnn(CCC(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571211952 953082327 /nfs/dbraw/zinc/08/23/27/953082327.db2.gz IWGMOWOGSKNSBR-CYBMUJFWSA-N -1 1 382.432 0.512 20 0 GCADMM Cc1nc(C(=O)N2CC[C@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571211892 953082417 /nfs/dbraw/zinc/08/24/17/953082417.db2.gz IICRXOUIBICIPD-JQWIXIFHSA-N -1 1 382.432 0.320 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571212118 953084047 /nfs/dbraw/zinc/08/40/47/953084047.db2.gz JCVGGEACEYRLIU-VXGBXAGGSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1C ZINC001571212170 953085060 /nfs/dbraw/zinc/08/50/60/953085060.db2.gz KJQBCEWNEJJZSP-GFCCVEGCSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1ncc(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1C ZINC001571212170 953085062 /nfs/dbraw/zinc/08/50/62/953085062.db2.gz KJQBCEWNEJJZSP-GFCCVEGCSA-N -1 1 382.432 0.663 20 0 GCADMM Cn1ccc(CC(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571212154 953085070 /nfs/dbraw/zinc/08/50/70/953085070.db2.gz KBOUUASSLOEJMG-RYUDHWBXSA-N -1 1 382.432 0.330 20 0 GCADMM Cn1ccc(CC(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571212154 953085073 /nfs/dbraw/zinc/08/50/73/953085073.db2.gz KBOUUASSLOEJMG-RYUDHWBXSA-N -1 1 382.432 0.330 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571212363 953087059 /nfs/dbraw/zinc/08/70/59/953087059.db2.gz MNLUMZINQQUKOL-ZDUSSCGKSA-N -1 1 382.432 0.425 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571212363 953087060 /nfs/dbraw/zinc/08/70/60/953087060.db2.gz MNLUMZINQQUKOL-ZDUSSCGKSA-N -1 1 382.432 0.425 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571212387 953088334 /nfs/dbraw/zinc/08/83/34/953088334.db2.gz NMQZFTGUVRTNLX-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571212387 953088337 /nfs/dbraw/zinc/08/83/37/953088337.db2.gz NMQZFTGUVRTNLX-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571212823 953090119 /nfs/dbraw/zinc/09/01/19/953090119.db2.gz PKZHZBWKJQTJPX-CMPLNLGQSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571212823 953090122 /nfs/dbraw/zinc/09/01/22/953090122.db2.gz PKZHZBWKJQTJPX-CMPLNLGQSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571212724 953090217 /nfs/dbraw/zinc/09/02/17/953090217.db2.gz OOMJBUMORYGVSV-UHFFFAOYSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571212724 953090218 /nfs/dbraw/zinc/09/02/18/953090218.db2.gz OOMJBUMORYGVSV-UHFFFAOYSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cnn(C)c1C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571212821 953090718 /nfs/dbraw/zinc/09/07/18/953090718.db2.gz PJUBSXCFQGJRLC-UHFFFAOYSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571212821 953090720 /nfs/dbraw/zinc/09/07/20/953090720.db2.gz PJUBSXCFQGJRLC-UHFFFAOYSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1ncn(C)c1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571213081 953092163 /nfs/dbraw/zinc/09/21/63/953092163.db2.gz QNTFBWOFPNNTHH-ZYHUDNBSSA-N -1 1 382.432 0.201 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213059 953092281 /nfs/dbraw/zinc/09/22/81/953092281.db2.gz QGAVFQWYRBKARZ-LBPRGKRZSA-N -1 1 382.432 0.297 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213059 953092284 /nfs/dbraw/zinc/09/22/84/953092284.db2.gz QGAVFQWYRBKARZ-LBPRGKRZSA-N -1 1 382.432 0.297 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571213128 953092525 /nfs/dbraw/zinc/09/25/25/953092525.db2.gz RDYGSXMLBOZXOG-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cnn(C)c1C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571213128 953092529 /nfs/dbraw/zinc/09/25/29/953092529.db2.gz RDYGSXMLBOZXOG-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cn(C)nc1C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571213086 953092673 /nfs/dbraw/zinc/09/26/73/953092673.db2.gz QOZOZBZINSBYMK-UHFFFAOYSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cn(C)nc1C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571213086 953092675 /nfs/dbraw/zinc/09/26/75/953092675.db2.gz QOZOZBZINSBYMK-UHFFFAOYSA-N -1 1 382.432 0.488 20 0 GCADMM Cn1cc(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571213189 953093451 /nfs/dbraw/zinc/09/34/51/953093451.db2.gz RRTFLUQAQMUXFZ-ZDUSSCGKSA-N -1 1 382.432 0.309 20 0 GCADMM Cn1cncc1CCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571213441 953095081 /nfs/dbraw/zinc/09/50/81/953095081.db2.gz TVMFOZFNOBBLNW-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cn1cncc1CCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571213441 953095084 /nfs/dbraw/zinc/09/50/84/953095084.db2.gz TVMFOZFNOBBLNW-CYBMUJFWSA-N -1 1 382.432 0.426 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571213504 953095551 /nfs/dbraw/zinc/09/55/51/953095551.db2.gz VIECUPFOKVHOQK-UHFFFAOYSA-N -1 1 382.432 0.209 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571213504 953095556 /nfs/dbraw/zinc/09/55/56/953095556.db2.gz VIECUPFOKVHOQK-UHFFFAOYSA-N -1 1 382.432 0.209 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)n(C)n1 ZINC001571213793 953097563 /nfs/dbraw/zinc/09/75/63/953097563.db2.gz VUDNYDLXUTXICS-GFCCVEGCSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)n(C)n1 ZINC001571213793 953097567 /nfs/dbraw/zinc/09/75/67/953097567.db2.gz VUDNYDLXUTXICS-GFCCVEGCSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)n(C)n1 ZINC001571213786 953097580 /nfs/dbraw/zinc/09/75/80/953097580.db2.gz VTGAVRPBLBWQDY-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)n(C)n1 ZINC001571213786 953097585 /nfs/dbraw/zinc/09/75/85/953097585.db2.gz VTGAVRPBLBWQDY-NEPJUHHUSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571213770 953097631 /nfs/dbraw/zinc/09/76/31/953097631.db2.gz VMCBJKBGLWFBQA-VXGBXAGGSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571213770 953097634 /nfs/dbraw/zinc/09/76/34/953097634.db2.gz VMCBJKBGLWFBQA-VXGBXAGGSA-N -1 1 382.432 0.661 20 0 GCADMM Cn1ccc(CC(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571213823 953097640 /nfs/dbraw/zinc/09/76/40/953097640.db2.gz WXOXWHQPVHABJQ-UHFFFAOYSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1ccc(CC(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571213823 953097642 /nfs/dbraw/zinc/09/76/42/953097642.db2.gz WXOXWHQPVHABJQ-UHFFFAOYSA-N -1 1 382.432 0.472 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571213830 953097743 /nfs/dbraw/zinc/09/77/43/953097743.db2.gz XLKPOCVVQCWQIR-LBPRGKRZSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571213830 953097745 /nfs/dbraw/zinc/09/77/45/953097745.db2.gz XLKPOCVVQCWQIR-LBPRGKRZSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ccn([C@H](C)CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571213871 953098568 /nfs/dbraw/zinc/09/85/68/953098568.db2.gz YAFOUBNBSRJXJC-OLZOCXBDSA-N -1 1 382.432 0.248 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571214125 953099633 /nfs/dbraw/zinc/09/96/33/953099633.db2.gz YJIMYSYCJLWCLX-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571214125 953099635 /nfs/dbraw/zinc/09/96/35/953099635.db2.gz YJIMYSYCJLWCLX-RYUDHWBXSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1C ZINC001571214159 953100362 /nfs/dbraw/zinc/10/03/62/953100362.db2.gz YQINXURBIOUJOH-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)n1C ZINC001571214249 953100594 /nfs/dbraw/zinc/10/05/94/953100594.db2.gz ZQWQWOORCJFQNX-PWSUYJOCSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)n1C ZINC001571214249 953100597 /nfs/dbraw/zinc/10/05/97/953100597.db2.gz ZQWQWOORCJFQNX-PWSUYJOCSA-N -1 1 382.432 0.804 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571214180 953100892 /nfs/dbraw/zinc/10/08/92/953100892.db2.gz YWADNXXVQZWBQF-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571214180 953100893 /nfs/dbraw/zinc/10/08/93/953100893.db2.gz YWADNXXVQZWBQF-GFCCVEGCSA-N -1 1 382.432 0.440 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)co1 ZINC001571217502 953109182 /nfs/dbraw/zinc/10/91/82/953109182.db2.gz MQIKDNHUGMWHGR-SNVBAGLBSA-N -1 1 383.372 0.065 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)co1 ZINC001571217502 953109184 /nfs/dbraw/zinc/10/91/84/953109184.db2.gz MQIKDNHUGMWHGR-SNVBAGLBSA-N -1 1 383.372 0.065 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)c2cncc(F)c2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571217600 953109269 /nfs/dbraw/zinc/10/92/69/953109269.db2.gz OKGOPHFUKDWMCX-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)c2cncc(F)c2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571217600 953109270 /nfs/dbraw/zinc/10/92/70/953109270.db2.gz OKGOPHFUKDWMCX-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571217864 953110976 /nfs/dbraw/zinc/11/09/76/953110976.db2.gz QZCMCIPQFHFFLI-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571218532 953116054 /nfs/dbraw/zinc/11/60/54/953116054.db2.gz WPZUNFWONIRBPJ-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571218532 953116056 /nfs/dbraw/zinc/11/60/56/953116056.db2.gz WPZUNFWONIRBPJ-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1F)c1ccc(-c2nnn[n-]2)nn1 ZINC001571218651 953117774 /nfs/dbraw/zinc/11/77/74/953117774.db2.gz DDFAAUBHKXQYOF-NSHDSACASA-N -1 1 383.391 0.932 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1F)c1ccc(-c2nn[n-]n2)nn1 ZINC001571218651 953117776 /nfs/dbraw/zinc/11/77/76/953117776.db2.gz DDFAAUBHKXQYOF-NSHDSACASA-N -1 1 383.391 0.932 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571218742 953118641 /nfs/dbraw/zinc/11/86/41/953118641.db2.gz ZZVGYJVFXXECLQ-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571218742 953118644 /nfs/dbraw/zinc/11/86/44/953118644.db2.gz ZZVGYJVFXXECLQ-ZWNOBZJWSA-N -1 1 383.391 0.978 20 0 GCADMM O=C(c1ccncc1F)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571218919 953120522 /nfs/dbraw/zinc/12/05/22/953120522.db2.gz HBHHFPOBDSVPBK-LLVKDONJSA-N -1 1 383.391 0.577 20 0 GCADMM O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cncc(F)c1 ZINC001571219173 953123388 /nfs/dbraw/zinc/12/33/88/953123388.db2.gz LBOUGSSENYZZNQ-ZWNOBZJWSA-N -1 1 383.391 0.623 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)Cc3ncccc3F)C2)n1 ZINC001571219311 953125008 /nfs/dbraw/zinc/12/50/08/953125008.db2.gz NRXIFUULSNDMDE-PHIMTYICSA-N -1 1 383.391 0.801 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)Cc3ncccc3F)C2)n1 ZINC001571219311 953125009 /nfs/dbraw/zinc/12/50/09/953125009.db2.gz NRXIFUULSNDMDE-PHIMTYICSA-N -1 1 383.391 0.801 20 0 GCADMM CC(C)[C@H](CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001571220130 953129533 /nfs/dbraw/zinc/12/95/33/953129533.db2.gz XTYRZHJSRQWBGB-ZDUSSCGKSA-N -1 1 383.412 0.685 20 0 GCADMM O=C(Cc1ccc(F)cn1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571220198 953129990 /nfs/dbraw/zinc/12/99/90/953129990.db2.gz YTAPJBSBNLUHII-CYBMUJFWSA-N -1 1 383.391 0.836 20 0 GCADMM O=C(Cc1ccc(F)cn1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571220198 953129991 /nfs/dbraw/zinc/12/99/91/953129991.db2.gz YTAPJBSBNLUHII-CYBMUJFWSA-N -1 1 383.391 0.836 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)no1 ZINC001571222042 953130451 /nfs/dbraw/zinc/13/04/51/953130451.db2.gz ALBYKGJVPYDTFH-PWSUYJOCSA-N -1 1 383.416 0.592 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001571222071 953130579 /nfs/dbraw/zinc/13/05/79/953130579.db2.gz BEJZHYBSEDOPQL-DGCLKSJQSA-N -1 1 383.416 0.348 20 0 GCADMM CCc1cc(C(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)no1 ZINC001571222181 953131595 /nfs/dbraw/zinc/13/15/95/953131595.db2.gz DPOMQBXVJPLJGM-UHFFFAOYSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1cc(C(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)no1 ZINC001571222181 953131599 /nfs/dbraw/zinc/13/15/99/953131599.db2.gz DPOMQBXVJPLJGM-UHFFFAOYSA-N -1 1 383.416 0.948 20 0 GCADMM CCc1nc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571222662 953136365 /nfs/dbraw/zinc/13/63/65/953136365.db2.gz IJCSDXBGOQAJMB-LLVKDONJSA-N -1 1 383.416 0.833 20 0 GCADMM CCc1nc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571222662 953136368 /nfs/dbraw/zinc/13/63/68/953136368.db2.gz IJCSDXBGOQAJMB-LLVKDONJSA-N -1 1 383.416 0.833 20 0 GCADMM COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ncn(C)n3)C2)cc1-c1nn[nH]n1 ZINC001571222689 953137974 /nfs/dbraw/zinc/13/79/74/953137974.db2.gz JFUXDHCAAYTOGM-LBPRGKRZSA-N -1 1 383.416 0.008 20 0 GCADMM CCc1nc(C)c(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571222814 953138574 /nfs/dbraw/zinc/13/85/74/953138574.db2.gz MOZNOBMKEYRXLN-LLVKDONJSA-N -1 1 383.416 0.866 20 0 GCADMM CCc1nc(C)c(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571222814 953138575 /nfs/dbraw/zinc/13/85/75/953138575.db2.gz MOZNOBMKEYRXLN-LLVKDONJSA-N -1 1 383.416 0.866 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571222751 953138707 /nfs/dbraw/zinc/13/87/07/953138707.db2.gz LAZATEKBYIJKCW-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571222751 953138709 /nfs/dbraw/zinc/13/87/09/953138709.db2.gz LAZATEKBYIJKCW-LLVKDONJSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571223120 953141185 /nfs/dbraw/zinc/14/11/85/953141185.db2.gz NSKNIIFZAPTEDR-NSHDSACASA-N -1 1 383.416 0.654 20 0 GCADMM CCc1ocnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571223234 953142057 /nfs/dbraw/zinc/14/20/57/953142057.db2.gz QXTHCQUMLDDKBA-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2nocc2C)CC1 ZINC001571223167 953142070 /nfs/dbraw/zinc/14/20/70/953142070.db2.gz OXXXNYXYKBBJNZ-UHFFFAOYSA-N -1 1 383.416 0.872 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)co1 ZINC001571223187 953142143 /nfs/dbraw/zinc/14/21/43/953142143.db2.gz PHPWCNNCBCWLEB-XYPYZODXSA-N -1 1 383.416 0.782 20 0 GCADMM CC(C)c1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)no1 ZINC001571223503 953144026 /nfs/dbraw/zinc/14/40/26/953144026.db2.gz RRXHQSGBKSHPJI-NSHDSACASA-N -1 1 383.416 0.907 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571223417 953144224 /nfs/dbraw/zinc/14/42/24/953144224.db2.gz QZDWQJZUPRRROL-DGCLKSJQSA-N -1 1 383.416 0.348 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(=O)c3coc(C)n3)C2)n1 ZINC001571223722 953146166 /nfs/dbraw/zinc/14/61/66/953146166.db2.gz TXUNBIYMXIMGQX-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(=O)c3coc(C)n3)C2)n1 ZINC001571223722 953146168 /nfs/dbraw/zinc/14/61/68/953146168.db2.gz TXUNBIYMXIMGQX-NSHDSACASA-N -1 1 383.416 0.772 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2ccon2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571223784 953147199 /nfs/dbraw/zinc/14/71/99/953147199.db2.gz VLJPFEINBPOQEE-DGCLKSJQSA-N -1 1 383.416 0.926 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2ccon2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571223784 953147203 /nfs/dbraw/zinc/14/72/03/953147203.db2.gz VLJPFEINBPOQEE-DGCLKSJQSA-N -1 1 383.416 0.926 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571223887 953147713 /nfs/dbraw/zinc/14/77/13/953147713.db2.gz ZJJAXBHVNAVQDS-CMPLNLGQSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571223887 953147714 /nfs/dbraw/zinc/14/77/14/953147714.db2.gz ZJJAXBHVNAVQDS-CMPLNLGQSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571223889 953147944 /nfs/dbraw/zinc/14/79/44/953147944.db2.gz ZJJAXBHVNAVQDS-PWSUYJOCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571223889 953147945 /nfs/dbraw/zinc/14/79/45/953147945.db2.gz ZJJAXBHVNAVQDS-PWSUYJOCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H](C)C2)co1 ZINC001571224094 953148826 /nfs/dbraw/zinc/14/88/26/953148826.db2.gz XYIVBIGQIWHTQF-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H](C)C2)co1 ZINC001571224094 953148828 /nfs/dbraw/zinc/14/88/28/953148828.db2.gz XYIVBIGQIWHTQF-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)no1 ZINC001571224167 953149220 /nfs/dbraw/zinc/14/92/20/953149220.db2.gz ZXEPTNVTYHVJJJ-CMPLNLGQSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)no1 ZINC001571224167 953149222 /nfs/dbraw/zinc/14/92/22/953149222.db2.gz ZXEPTNVTYHVJJJ-CMPLNLGQSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)no1 ZINC001571224169 953149308 /nfs/dbraw/zinc/14/93/08/953149308.db2.gz ZXEPTNVTYHVJJJ-PWSUYJOCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)no1 ZINC001571224169 953149309 /nfs/dbraw/zinc/14/93/09/953149309.db2.gz ZXEPTNVTYHVJJJ-PWSUYJOCSA-N -1 1 383.416 0.994 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571224158 953149418 /nfs/dbraw/zinc/14/94/18/953149418.db2.gz ZRZLMIHHYGSHCN-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571224158 953149421 /nfs/dbraw/zinc/14/94/21/953149421.db2.gz ZRZLMIHHYGSHCN-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM Cc1conc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571225147 953151933 /nfs/dbraw/zinc/15/19/33/953151933.db2.gz HVKXAXCSHLPUFQ-NWDGAFQWSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1conc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571225147 953151936 /nfs/dbraw/zinc/15/19/36/953151936.db2.gz HVKXAXCSHLPUFQ-NWDGAFQWSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1noc(C)c1C(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571225600 953153741 /nfs/dbraw/zinc/15/37/41/953153741.db2.gz KYEOPMMYGQVLOD-LBPRGKRZSA-N -1 1 383.416 0.921 20 0 GCADMM Cc1noc(C)c1C(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571225600 953153742 /nfs/dbraw/zinc/15/37/42/953153742.db2.gz KYEOPMMYGQVLOD-LBPRGKRZSA-N -1 1 383.416 0.921 20 0 GCADMM Cc1cc(CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)no1 ZINC001571225892 953154403 /nfs/dbraw/zinc/15/44/03/953154403.db2.gz NSNPUTRQRZZTPU-CYBMUJFWSA-N -1 1 383.416 0.989 20 0 GCADMM Cc1cc(CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)no1 ZINC001571225892 953154405 /nfs/dbraw/zinc/15/44/05/953154405.db2.gz NSNPUTRQRZZTPU-CYBMUJFWSA-N -1 1 383.416 0.989 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)no1 ZINC001571225942 953154550 /nfs/dbraw/zinc/15/45/50/953154550.db2.gz OXEGDXVHELEGQO-GWCFXTLKSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(CC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)no1 ZINC001571225942 953154553 /nfs/dbraw/zinc/15/45/53/953154553.db2.gz OXEGDXVHELEGQO-GWCFXTLKSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)co1 ZINC001571225962 953155434 /nfs/dbraw/zinc/15/54/34/953155434.db2.gz PCJZQPCQWCMKMO-GFCCVEGCSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226380 953155454 /nfs/dbraw/zinc/15/54/54/953155454.db2.gz PNXFBVARNMBIRL-GFCCVEGCSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226380 953155456 /nfs/dbraw/zinc/15/54/56/953155456.db2.gz PNXFBVARNMBIRL-GFCCVEGCSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1cnoc1C(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571226895 953156938 /nfs/dbraw/zinc/15/69/38/953156938.db2.gz WFOJCSGVVDFQKG-UHFFFAOYSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1cnoc1C(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571226895 953156941 /nfs/dbraw/zinc/15/69/41/953156941.db2.gz WFOJCSGVVDFQKG-UHFFFAOYSA-N -1 1 383.416 0.942 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571226945 953157396 /nfs/dbraw/zinc/15/73/96/953157396.db2.gz XKRMGAHZHNDGSU-TXEJJXNPSA-N -1 1 383.416 0.872 20 0 GCADMM Cc1noc(C)c1CC(=O)N[C@@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571226945 953157398 /nfs/dbraw/zinc/15/73/98/953157398.db2.gz XKRMGAHZHNDGSU-TXEJJXNPSA-N -1 1 383.416 0.872 20 0 GCADMM Cc1ncc(CC(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571226982 953157850 /nfs/dbraw/zinc/15/78/50/953157850.db2.gz YGJFXTBPOWYYJQ-VXGBXAGGSA-N -1 1 383.416 0.457 20 0 GCADMM Cc1cnoc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571227128 953158207 /nfs/dbraw/zinc/15/82/07/953158207.db2.gz ZKCUTEDGVHRAFZ-GFCCVEGCSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cnoc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571227128 953158212 /nfs/dbraw/zinc/15/82/12/953158212.db2.gz ZKCUTEDGVHRAFZ-GFCCVEGCSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cnoc1C(=O)N[C@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571227104 953158331 /nfs/dbraw/zinc/15/83/31/953158331.db2.gz YPKLOYGLPWQGMC-VXGBXAGGSA-N -1 1 383.416 0.988 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cncn1 ZINC001571227698 953159202 /nfs/dbraw/zinc/15/92/02/953159202.db2.gz AEEFNLWHUJKHOL-VXGBXAGGSA-N -1 1 383.420 0.302 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cncn1 ZINC001571227698 953159203 /nfs/dbraw/zinc/15/92/03/953159203.db2.gz AEEFNLWHUJKHOL-VXGBXAGGSA-N -1 1 383.420 0.302 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CC[C@H](C)N(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571227784 953159600 /nfs/dbraw/zinc/15/96/00/953159600.db2.gz BXJRWNMPPFSBLP-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CC[C@H](C)N(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571227784 953159603 /nfs/dbraw/zinc/15/96/03/953159603.db2.gz BXJRWNMPPFSBLP-WDEREUQCSA-N -1 1 383.420 0.055 20 0 GCADMM CCC(=O)N1CCC[C@@H](n2cc(CNc3ccc(-c4nnn[n-]4)nn3)nn2)C1 ZINC001571227967 953160645 /nfs/dbraw/zinc/16/06/45/953160645.db2.gz FKKMBXZZLCXZMR-GFCCVEGCSA-N -1 1 383.420 0.434 20 0 GCADMM CCC(=O)N1CCC[C@@H](n2cc(CNc3ccc(-c4nn[n-]n4)nn3)nn2)C1 ZINC001571227967 953160648 /nfs/dbraw/zinc/16/06/48/953160648.db2.gz FKKMBXZZLCXZMR-GFCCVEGCSA-N -1 1 383.420 0.434 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227868 953160688 /nfs/dbraw/zinc/16/06/88/953160688.db2.gz DROIQWZHICECFQ-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227868 953160691 /nfs/dbraw/zinc/16/06/91/953160691.db2.gz DROIQWZHICECFQ-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571228051 953161671 /nfs/dbraw/zinc/16/16/71/953161671.db2.gz GYALKGCPZFYASO-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCn1ncc(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571228051 953161675 /nfs/dbraw/zinc/16/16/75/953161675.db2.gz GYALKGCPZFYASO-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228093 953161744 /nfs/dbraw/zinc/16/17/44/953161744.db2.gz IEHSAJKKPHJZIM-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228093 953161747 /nfs/dbraw/zinc/16/17/47/953161747.db2.gz IEHSAJKKPHJZIM-GHMZBOCLSA-N -1 1 383.420 0.055 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571228346 953163571 /nfs/dbraw/zinc/16/35/71/953163571.db2.gz NLDPJHDDRWONDU-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571228346 953163574 /nfs/dbraw/zinc/16/35/74/953163574.db2.gz NLDPJHDDRWONDU-NSHDSACASA-N -1 1 383.420 0.375 20 0 GCADMM CCCn1cc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)nn1 ZINC001571228315 953164002 /nfs/dbraw/zinc/16/40/02/953164002.db2.gz NAKPXGWMRTVUEO-UHFFFAOYSA-N -1 1 383.420 0.375 20 0 GCADMM CCCn1cc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)nn1 ZINC001571228315 953164004 /nfs/dbraw/zinc/16/40/04/953164004.db2.gz NAKPXGWMRTVUEO-UHFFFAOYSA-N -1 1 383.420 0.375 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571228533 953165069 /nfs/dbraw/zinc/16/50/69/953165069.db2.gz QTZJHASCBWYLMW-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571228533 953165072 /nfs/dbraw/zinc/16/50/72/953165072.db2.gz QTZJHASCBWYLMW-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)nn1 ZINC001571228606 953165329 /nfs/dbraw/zinc/16/53/29/953165329.db2.gz UDJGOCFASGLLLJ-MNOVXSKESA-N -1 1 383.420 0.373 20 0 GCADMM CCn1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)nn1 ZINC001571228606 953165332 /nfs/dbraw/zinc/16/53/32/953165332.db2.gz UDJGOCFASGLLLJ-MNOVXSKESA-N -1 1 383.420 0.373 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001571228620 953165845 /nfs/dbraw/zinc/16/58/45/953165845.db2.gz UFUZUKDSLBODOZ-WDEREUQCSA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001571228612 953165872 /nfs/dbraw/zinc/16/58/72/953165872.db2.gz UFOKOXMTJLGDDM-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001571228612 953165875 /nfs/dbraw/zinc/16/58/75/953165875.db2.gz UFOKOXMTJLGDDM-NSHDSACASA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001571228611 953165960 /nfs/dbraw/zinc/16/59/60/953165960.db2.gz UFOKOXMTJLGDDM-LLVKDONJSA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001571228611 953165961 /nfs/dbraw/zinc/16/59/61/953165961.db2.gz UFOKOXMTJLGDDM-LLVKDONJSA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571228630 953166135 /nfs/dbraw/zinc/16/61/35/953166135.db2.gz UJTMLQCOIIHKGN-GHMZBOCLSA-N -1 1 383.420 0.279 20 0 GCADMM CCn1cc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571228630 953166136 /nfs/dbraw/zinc/16/61/36/953166136.db2.gz UJTMLQCOIIHKGN-GHMZBOCLSA-N -1 1 383.420 0.279 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228880 953167434 /nfs/dbraw/zinc/16/74/34/953167434.db2.gz XNEKXECXXBKAPF-LLVKDONJSA-N -1 1 383.420 0.009 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571229181 953168588 /nfs/dbraw/zinc/16/85/88/953168588.db2.gz AJPOLQWNCXXVLY-ONGXEEELSA-N -1 1 383.420 0.294 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001571229260 953168629 /nfs/dbraw/zinc/16/86/29/953168629.db2.gz BJMFDVIPPPYTFO-LLVKDONJSA-N -1 1 383.420 0.438 20 0 GCADMM CCn1nncc1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571229091 953168674 /nfs/dbraw/zinc/16/86/74/953168674.db2.gz ZXANAMQYKWJDKM-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCn1nncc1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571229091 953168675 /nfs/dbraw/zinc/16/86/75/953168675.db2.gz ZXANAMQYKWJDKM-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM Cc1c(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nnn1C(C)C ZINC001571229406 953169319 /nfs/dbraw/zinc/16/93/19/953169319.db2.gz DMDMDOQYCCMPIT-LLVKDONJSA-N -1 1 383.420 0.464 20 0 GCADMM Cc1c(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nnn1C(C)C ZINC001571229406 953169320 /nfs/dbraw/zinc/16/93/20/953169320.db2.gz DMDMDOQYCCMPIT-LLVKDONJSA-N -1 1 383.420 0.464 20 0 GCADMM Cc1n[nH]nc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571229544 953170678 /nfs/dbraw/zinc/17/06/78/953170678.db2.gz IFKOIEVFQPXITC-KOLCDFICSA-N -1 1 383.420 0.497 20 0 GCADMM O=C(Cn1cncn1)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571230198 953174489 /nfs/dbraw/zinc/17/44/89/953174489.db2.gz UCBKBBQLRZUWLI-HAQNSBGRSA-N -1 1 383.420 0.035 20 0 GCADMM O=C(Cn1cncn1)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571230198 953174492 /nfs/dbraw/zinc/17/44/92/953174492.db2.gz UCBKBBQLRZUWLI-HAQNSBGRSA-N -1 1 383.420 0.035 20 0 GCADMM O=C(c1cscn1)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571230920 953181013 /nfs/dbraw/zinc/18/10/13/953181013.db2.gz NKAQQMTXEYTICE-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1cscn1)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571230920 953181014 /nfs/dbraw/zinc/18/10/14/953181014.db2.gz NKAQQMTXEYTICE-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1ccns1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571231113 953183502 /nfs/dbraw/zinc/18/35/02/953183502.db2.gz SRHPYGOELFBKAY-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1ccns1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571231113 953183503 /nfs/dbraw/zinc/18/35/03/953183503.db2.gz SRHPYGOELFBKAY-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1ccns1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571231221 953184198 /nfs/dbraw/zinc/18/41/98/953184198.db2.gz VOZJFAPKBTUYDC-RYUDHWBXSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1ccns1)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571231221 953184200 /nfs/dbraw/zinc/18/42/00/953184200.db2.gz VOZJFAPKBTUYDC-RYUDHWBXSA-N -1 1 383.441 0.997 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571231501 953184628 /nfs/dbraw/zinc/18/46/28/953184628.db2.gz YRGMBKRBZRBYFN-MRVPVSSYSA-N -1 1 383.434 0.215 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571231501 953184630 /nfs/dbraw/zinc/18/46/30/953184630.db2.gz YRGMBKRBZRBYFN-MRVPVSSYSA-N -1 1 383.434 0.215 20 0 GCADMM COc1ccc(F)cc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571234726 953205296 /nfs/dbraw/zinc/20/52/96/953205296.db2.gz GZTHEDCWHASGQE-UHFFFAOYSA-N -1 1 384.375 0.767 20 0 GCADMM COc1ccc(F)cc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571234726 953205299 /nfs/dbraw/zinc/20/52/99/953205299.db2.gz GZTHEDCWHASGQE-UHFFFAOYSA-N -1 1 384.375 0.767 20 0 GCADMM O=C(c1cncc(Cl)c1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571234828 953206273 /nfs/dbraw/zinc/20/62/73/953206273.db2.gz JUIRRRBJFMOIMF-RYUDHWBXSA-N -1 1 383.803 0.808 20 0 GCADMM O=C(c1cncc(Cl)c1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571234828 953206276 /nfs/dbraw/zinc/20/62/76/953206276.db2.gz JUIRRRBJFMOIMF-RYUDHWBXSA-N -1 1 383.803 0.808 20 0 GCADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cnns1 ZINC001571234991 953208110 /nfs/dbraw/zinc/20/81/10/953208110.db2.gz OZXUGBCLCJWRAS-YFKPBYRVSA-N -1 1 383.850 0.837 20 0 GCADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cnns1 ZINC001571234991 953208112 /nfs/dbraw/zinc/20/81/12/953208112.db2.gz OZXUGBCLCJWRAS-YFKPBYRVSA-N -1 1 383.850 0.837 20 0 GCADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O)C1CCC1 ZINC001571235134 953209542 /nfs/dbraw/zinc/20/95/42/953209542.db2.gz UQIFRNYQXDPUKZ-BDAKNGLRSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O)C1CCC1 ZINC001571235134 953209545 /nfs/dbraw/zinc/20/95/45/953209545.db2.gz UQIFRNYQXDPUKZ-BDAKNGLRSA-N -1 1 383.865 0.833 20 0 GCADMM COc1ccc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1F ZINC001571235241 953210358 /nfs/dbraw/zinc/21/03/58/953210358.db2.gz YHEQMZCNTMOFJS-UHFFFAOYSA-N -1 1 384.375 0.767 20 0 GCADMM COc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccc1F ZINC001571235209 953210676 /nfs/dbraw/zinc/21/06/76/953210676.db2.gz XAWYNWDERFNDHU-NSHDSACASA-N -1 1 384.375 0.813 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CC(=O)Nc3cnccc32)cc1-c1nn[n-]n1 ZINC001571235678 953214325 /nfs/dbraw/zinc/21/43/25/953214325.db2.gz NBXDBDVDNSSGLB-UHFFFAOYSA-N -1 1 384.381 0.683 20 0 GCADMM Cc1c(F)cccc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571235873 953215982 /nfs/dbraw/zinc/21/59/82/953215982.db2.gz QGNADNQUCFRYTQ-ZIAGYGMSSA-N -1 1 384.375 0.084 20 0 GCADMM Cc1c(F)cccc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571235873 953215985 /nfs/dbraw/zinc/21/59/85/953215985.db2.gz QGNADNQUCFRYTQ-ZIAGYGMSSA-N -1 1 384.375 0.084 20 0 GCADMM O=C(COc1ccccc1F)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571236206 953216740 /nfs/dbraw/zinc/21/67/40/953216740.db2.gz VIXOBBYSAZVAON-LLVKDONJSA-N -1 1 384.375 0.888 20 0 GCADMM O=C(COc1ccccc1F)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571236206 953216744 /nfs/dbraw/zinc/21/67/44/953216744.db2.gz VIXOBBYSAZVAON-LLVKDONJSA-N -1 1 384.375 0.888 20 0 GCADMM Cc1coc(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571237316 953220279 /nfs/dbraw/zinc/22/02/79/953220279.db2.gz HFEOMKNWBUBSEV-QGZVFWFLSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1coc(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571237316 953220283 /nfs/dbraw/zinc/22/02/83/953220283.db2.gz HFEOMKNWBUBSEV-QGZVFWFLSA-N -1 1 384.400 0.637 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cnon2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237248 953220543 /nfs/dbraw/zinc/22/05/43/953220543.db2.gz GPNICYGGWIZPGH-SNVBAGLBSA-N -1 1 384.404 0.465 20 0 GCADMM CC1(C)C[C@H](NC(=O)c2cnon2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237248 953220546 /nfs/dbraw/zinc/22/05/46/953220546.db2.gz GPNICYGGWIZPGH-SNVBAGLBSA-N -1 1 384.404 0.465 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nn2)c(C)o1 ZINC001571237327 953221546 /nfs/dbraw/zinc/22/15/46/953221546.db2.gz HLYUMCYIOAGYDT-LBPRGKRZSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nn2)c(C)o1 ZINC001571237327 953221552 /nfs/dbraw/zinc/22/15/52/953221552.db2.gz HLYUMCYIOAGYDT-LBPRGKRZSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1ccc([C@H](C)C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)o1 ZINC001571237649 953222197 /nfs/dbraw/zinc/22/21/97/953222197.db2.gz KQHQJFSFFKAMPO-UHTWSYAYSA-N -1 1 384.400 0.028 20 0 GCADMM Cc1ccc([C@H](C)C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)o1 ZINC001571237649 953222199 /nfs/dbraw/zinc/22/21/99/953222199.db2.gz KQHQJFSFFKAMPO-UHTWSYAYSA-N -1 1 384.400 0.028 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001571238101 953225498 /nfs/dbraw/zinc/22/54/98/953225498.db2.gz UDUGXTIYDLBSTE-IJLUTSLNSA-N -1 1 384.404 0.316 20 0 GCADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)o1 ZINC001571238089 953225840 /nfs/dbraw/zinc/22/58/40/953225840.db2.gz TWWYGTLIJQZGIU-DGCLKSJQSA-N -1 1 384.400 0.236 20 0 GCADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)o1 ZINC001571238089 953225842 /nfs/dbraw/zinc/22/58/42/953225842.db2.gz TWWYGTLIJQZGIU-DGCLKSJQSA-N -1 1 384.400 0.236 20 0 GCADMM COc1nn(C)cc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571238458 953229066 /nfs/dbraw/zinc/22/90/66/953229066.db2.gz DEFDGSAUAFKCAB-NXEZZACHSA-N -1 1 384.404 0.114 20 0 GCADMM COc1nn(C)cc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571238458 953229067 /nfs/dbraw/zinc/22/90/67/953229067.db2.gz DEFDGSAUAFKCAB-NXEZZACHSA-N -1 1 384.404 0.114 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238482 953229673 /nfs/dbraw/zinc/22/96/73/953229673.db2.gz DVPKCUAYTIHGDR-MRXNPFEDSA-N -1 1 384.404 0.358 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238482 953229678 /nfs/dbraw/zinc/22/96/78/953229678.db2.gz DVPKCUAYTIHGDR-MRXNPFEDSA-N -1 1 384.404 0.358 20 0 GCADMM Cc1nonc1C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571238635 953231249 /nfs/dbraw/zinc/23/12/49/953231249.db2.gz ISMOANDCGIYIGR-VIFPVBQESA-N -1 1 384.404 0.383 20 0 GCADMM Cc1nonc1C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571238635 953231252 /nfs/dbraw/zinc/23/12/52/953231252.db2.gz ISMOANDCGIYIGR-VIFPVBQESA-N -1 1 384.404 0.383 20 0 GCADMM Cc1nnc(CC(=O)N(C)C2CC(Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571238723 953232237 /nfs/dbraw/zinc/23/22/37/953232237.db2.gz LGCCLRHGIOZNCI-UHFFFAOYSA-N -1 1 384.404 0.301 20 0 GCADMM Cc1nnc(CC(=O)N(C)C2CC(Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571238723 953232241 /nfs/dbraw/zinc/23/22/41/953232241.db2.gz LGCCLRHGIOZNCI-UHFFFAOYSA-N -1 1 384.404 0.301 20 0 GCADMM Cn1c(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]c1=O ZINC001571239005 953235151 /nfs/dbraw/zinc/23/51/51/953235151.db2.gz PBJLSWPZLVKXMY-NXEZZACHSA-N -1 1 384.404 0.106 20 0 GCADMM Cn1c(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]c1=O ZINC001571239005 953235153 /nfs/dbraw/zinc/23/51/53/953235153.db2.gz PBJLSWPZLVKXMY-NXEZZACHSA-N -1 1 384.404 0.106 20 0 GCADMM Cc1nnc(CC(=O)N2CC[C@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571239137 953236699 /nfs/dbraw/zinc/23/66/99/953236699.db2.gz QZULBVCEXRDDNT-MRXNPFEDSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1nnc(CC(=O)N2CC[C@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571239137 953236702 /nfs/dbraw/zinc/23/67/02/953236702.db2.gz QZULBVCEXRDDNT-MRXNPFEDSA-N -1 1 384.404 0.241 20 0 GCADMM COc1c(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)cnn1C ZINC001571239245 953236892 /nfs/dbraw/zinc/23/68/92/953236892.db2.gz RFSJJSCWGZLHML-UWVGGRQHSA-N -1 1 384.404 0.114 20 0 GCADMM COc1c(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)cnn1C ZINC001571239245 953236897 /nfs/dbraw/zinc/23/68/97/953236897.db2.gz RFSJJSCWGZLHML-UWVGGRQHSA-N -1 1 384.404 0.114 20 0 GCADMM COc1c(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)cnn1C ZINC001571239247 953237215 /nfs/dbraw/zinc/23/72/15/953237215.db2.gz RFSJJSCWGZLHML-ZJUUUORDSA-N -1 1 384.404 0.114 20 0 GCADMM COc1c(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)cnn1C ZINC001571239247 953237218 /nfs/dbraw/zinc/23/72/18/953237218.db2.gz RFSJJSCWGZLHML-ZJUUUORDSA-N -1 1 384.404 0.114 20 0 GCADMM Cn1c(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)c[nH]c1=O ZINC001571239266 953237460 /nfs/dbraw/zinc/23/74/60/953237460.db2.gz RSVIURLASFKNAL-NSHDSACASA-N -1 1 384.404 0.059 20 0 GCADMM Cn1c(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)c[nH]c1=O ZINC001571239266 953237462 /nfs/dbraw/zinc/23/74/62/953237462.db2.gz RSVIURLASFKNAL-NSHDSACASA-N -1 1 384.404 0.059 20 0 GCADMM Cc1nonc1CC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239511 953239540 /nfs/dbraw/zinc/23/95/40/953239540.db2.gz VVSRNVLHGHROGV-GHMZBOCLSA-N -1 1 384.404 0.430 20 0 GCADMM Cc1nonc1CC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239511 953239544 /nfs/dbraw/zinc/23/95/44/953239544.db2.gz VVSRNVLHGHROGV-GHMZBOCLSA-N -1 1 384.404 0.430 20 0 GCADMM Cc1nnc(CC(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571239826 953243100 /nfs/dbraw/zinc/24/31/00/953243100.db2.gz YZFLNYWLGYQYFT-QWRGUYRKSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nnc(CC(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571239826 953243102 /nfs/dbraw/zinc/24/31/02/953243102.db2.gz YZFLNYWLGYQYFT-QWRGUYRKSA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nnc(CC(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571239853 953243626 /nfs/dbraw/zinc/24/36/26/953243626.db2.gz ZORGEGQWJGDDEQ-XYPYZODXSA-N -1 1 384.404 0.430 20 0 GCADMM Cc1nnc(CC(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571239853 953243628 /nfs/dbraw/zinc/24/36/28/953243628.db2.gz ZORGEGQWJGDDEQ-XYPYZODXSA-N -1 1 384.404 0.430 20 0 GCADMM O=C(c1cnsn1)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571241771 953249366 /nfs/dbraw/zinc/24/93/66/953249366.db2.gz KZNXAAZJLNOFGI-ONGXEEELSA-N -1 1 384.429 0.249 20 0 GCADMM Cc1nnsc1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571241854 953250565 /nfs/dbraw/zinc/25/05/65/953250565.db2.gz NJIJKGUAYJCCIP-VHSXEESVSA-N -1 1 384.429 0.168 20 0 GCADMM Cc1nnsc1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571241854 953250568 /nfs/dbraw/zinc/25/05/68/953250568.db2.gz NJIJKGUAYJCCIP-VHSXEESVSA-N -1 1 384.429 0.168 20 0 GCADMM O=C(c1snnc1C1CC1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571241858 953250892 /nfs/dbraw/zinc/25/08/92/953250892.db2.gz NQGQETWCIWSUGP-SECBINFHSA-N -1 1 384.429 0.712 20 0 GCADMM O=C(c1snnc1C1CC1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571241858 953250895 /nfs/dbraw/zinc/25/08/95/953250895.db2.gz NQGQETWCIWSUGP-SECBINFHSA-N -1 1 384.429 0.712 20 0 GCADMM CCOC1CC(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)C1 ZINC001571242068 953252939 /nfs/dbraw/zinc/25/29/39/953252939.db2.gz ASVNKKMGRFKUFV-AKJUYKBHSA-N -1 1 384.444 0.366 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCCOC2)n1 ZINC001571242369 953255276 /nfs/dbraw/zinc/25/52/76/953255276.db2.gz DRZYAQZDGOUODJ-RDBSUJKOSA-N -1 1 384.444 0.571 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCCOC2)n1 ZINC001571242369 953255277 /nfs/dbraw/zinc/25/52/77/953255277.db2.gz DRZYAQZDGOUODJ-RDBSUJKOSA-N -1 1 384.444 0.571 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001571242366 953255652 /nfs/dbraw/zinc/25/56/52/953255652.db2.gz DPBRGXNGIPUUBY-HEHGZKQESA-N -1 1 384.444 0.651 20 0 GCADMM CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001571242366 953255653 /nfs/dbraw/zinc/25/56/53/953255653.db2.gz DPBRGXNGIPUUBY-HEHGZKQESA-N -1 1 384.444 0.651 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571242378 953256297 /nfs/dbraw/zinc/25/62/97/953256297.db2.gz DYBYCNUZOKFXSM-PVTKRXDGSA-N -1 1 384.444 0.149 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571242378 953256299 /nfs/dbraw/zinc/25/62/99/953256299.db2.gz DYBYCNUZOKFXSM-PVTKRXDGSA-N -1 1 384.444 0.149 20 0 GCADMM CC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571242452 953256454 /nfs/dbraw/zinc/25/64/54/953256454.db2.gz GQKJWXBWMGXPFP-VBTGVMJWSA-N -1 1 384.444 0.588 20 0 GCADMM CC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571242452 953256457 /nfs/dbraw/zinc/25/64/57/953256457.db2.gz GQKJWXBWMGXPFP-VBTGVMJWSA-N -1 1 384.444 0.588 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCOCC2)n1 ZINC001571242401 953256539 /nfs/dbraw/zinc/25/65/39/953256539.db2.gz FOQKBYRFJBLWEO-RMRHIDDWSA-N -1 1 384.444 0.333 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCOCC2)n1 ZINC001571242401 953256541 /nfs/dbraw/zinc/25/65/41/953256541.db2.gz FOQKBYRFJBLWEO-RMRHIDDWSA-N -1 1 384.444 0.333 20 0 GCADMM C[C@H]1C[C@H](C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)CO1 ZINC001571242675 953258453 /nfs/dbraw/zinc/25/84/53/953258453.db2.gz LGHWTGFXJWRGAE-WNYBMJBXSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@H]1C[C@H](C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)CO1 ZINC001571242675 953258457 /nfs/dbraw/zinc/25/84/57/953258457.db2.gz LGHWTGFXJWRGAE-WNYBMJBXSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@@H]1C[C@H](C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)CO1 ZINC001571242673 953258711 /nfs/dbraw/zinc/25/87/11/953258711.db2.gz LGHWTGFXJWRGAE-KHLXKGCPSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@@H]1C[C@H](C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)CO1 ZINC001571242673 953258715 /nfs/dbraw/zinc/25/87/15/953258715.db2.gz LGHWTGFXJWRGAE-KHLXKGCPSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)CO1 ZINC001571242674 953258798 /nfs/dbraw/zinc/25/87/98/953258798.db2.gz LGHWTGFXJWRGAE-VIWDNIPDSA-N -1 1 384.444 0.921 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)CO1 ZINC001571242674 953258805 /nfs/dbraw/zinc/25/88/05/953258805.db2.gz LGHWTGFXJWRGAE-VIWDNIPDSA-N -1 1 384.444 0.921 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571242714 953259411 /nfs/dbraw/zinc/25/94/11/953259411.db2.gz MICSEKZOPYMUFN-MHDGFBEUSA-N -1 1 384.444 0.555 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571242714 953259413 /nfs/dbraw/zinc/25/94/13/953259413.db2.gz MICSEKZOPYMUFN-MHDGFBEUSA-N -1 1 384.444 0.555 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571242726 953259663 /nfs/dbraw/zinc/25/96/63/953259663.db2.gz MNESVTWZTQZXFW-PZROIBLQSA-N -1 1 384.444 0.659 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571242726 953259667 /nfs/dbraw/zinc/25/96/67/953259667.db2.gz MNESVTWZTQZXFW-PZROIBLQSA-N -1 1 384.444 0.659 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C3=CCCC3)[C@H](O)C2)n1 ZINC001571242889 953261394 /nfs/dbraw/zinc/26/13/94/953261394.db2.gz QMAORXOJUWLULI-GXTWGEPZSA-N -1 1 384.444 0.385 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C3=CCCC3)[C@H](O)C2)n1 ZINC001571242889 953261398 /nfs/dbraw/zinc/26/13/98/953261398.db2.gz QMAORXOJUWLULI-GXTWGEPZSA-N -1 1 384.444 0.385 20 0 GCADMM CN(C(=O)[C@H]1C[C@]12CCOC2)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571242960 953262075 /nfs/dbraw/zinc/26/20/75/953262075.db2.gz SALQBLHCCNRYCU-ACJLOTCBSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC001571243017 953262587 /nfs/dbraw/zinc/26/25/87/953262587.db2.gz UCKRHTCETJXSQW-CHWSQXEVSA-N -1 1 384.444 0.812 20 0 GCADMM O=C(C[C@H]1CCCO1)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571247559 953283192 /nfs/dbraw/zinc/28/31/92/953283192.db2.gz AOUCPVWRVRWLGA-HZSPNIEDSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@H]1CCCO1)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571247559 953283194 /nfs/dbraw/zinc/28/31/94/953283194.db2.gz AOUCPVWRVRWLGA-HZSPNIEDSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C1CCC1)N1CCC2(CC1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001571247524 953283337 /nfs/dbraw/zinc/28/33/37/953283337.db2.gz ACZJVNZKLOWALA-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(C1CCC1)N1CCC2(CC1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001571247524 953283341 /nfs/dbraw/zinc/28/33/41/953283341.db2.gz ACZJVNZKLOWALA-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571247710 953285088 /nfs/dbraw/zinc/28/50/88/953285088.db2.gz BXJQXPVHYOQUMB-NWANDNLSSA-N -1 1 384.444 0.796 20 0 GCADMM O=C(C[C@@H]1CCCO1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571247710 953285092 /nfs/dbraw/zinc/28/50/92/953285092.db2.gz BXJQXPVHYOQUMB-NWANDNLSSA-N -1 1 384.444 0.796 20 0 GCADMM O=C(CC1(O)CCC1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571247707 953285663 /nfs/dbraw/zinc/28/56/63/953285663.db2.gz BWDFKKYTBBBJIX-OLZOCXBDSA-N -1 1 384.444 0.247 20 0 GCADMM O=C(CC1(O)CCC1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571247707 953285667 /nfs/dbraw/zinc/28/56/67/953285667.db2.gz BWDFKKYTBBBJIX-OLZOCXBDSA-N -1 1 384.444 0.247 20 0 GCADMM O=C([C@@H]1CC12CCOCC2)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571248062 953288678 /nfs/dbraw/zinc/28/86/78/953288678.db2.gz DEXWCJKKYTVFMG-ZDUSSCGKSA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@@H]1CC12CCOCC2)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571248062 953288682 /nfs/dbraw/zinc/28/86/82/953288682.db2.gz DEXWCJKKYTVFMG-ZDUSSCGKSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571248044 953289091 /nfs/dbraw/zinc/28/90/91/953289091.db2.gz CPIGGLPCKWCSIW-VNHYZAJKSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(C[C@H]1CCOC1)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571248044 953289094 /nfs/dbraw/zinc/28/90/94/953289094.db2.gz CPIGGLPCKWCSIW-VNHYZAJKSA-N -1 1 384.444 0.511 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)[C@@H]1CCCC12CC2 ZINC001571248142 953290061 /nfs/dbraw/zinc/29/00/61/953290061.db2.gz FCVFMFLFCXKXQT-STQMWFEESA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)[C@@H]1CCCC12CC2 ZINC001571248142 953290063 /nfs/dbraw/zinc/29/00/63/953290063.db2.gz FCVFMFLFCXKXQT-STQMWFEESA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571248521 953294059 /nfs/dbraw/zinc/29/40/59/953294059.db2.gz FIDLNXMYJCPLLT-GXTWGEPZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571248521 953294065 /nfs/dbraw/zinc/29/40/65/953294065.db2.gz FIDLNXMYJCPLLT-GXTWGEPZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC001571248566 953295576 /nfs/dbraw/zinc/29/55/76/953295576.db2.gz GQMFCSZWNKEDCZ-BNOWGMLFSA-N -1 1 384.444 0.293 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC001571248566 953295579 /nfs/dbraw/zinc/29/55/79/953295579.db2.gz GQMFCSZWNKEDCZ-BNOWGMLFSA-N -1 1 384.444 0.293 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571248793 953297347 /nfs/dbraw/zinc/29/73/47/953297347.db2.gz IOOLXCQLPJECRQ-QWHCGFSZSA-N -1 1 384.444 0.468 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571248793 953297349 /nfs/dbraw/zinc/29/73/49/953297349.db2.gz IOOLXCQLPJECRQ-QWHCGFSZSA-N -1 1 384.444 0.468 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@]12C[C@H]1COC2 ZINC001571248852 953298035 /nfs/dbraw/zinc/29/80/35/953298035.db2.gz KJSNEZQOHYMTDI-RSLFNQERSA-N -1 1 384.444 0.202 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCOCC1 ZINC001571248921 953298703 /nfs/dbraw/zinc/29/87/03/953298703.db2.gz MAUFWIVJJWOKMC-SYQHCUMBSA-N -1 1 384.444 0.699 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571248926 953298854 /nfs/dbraw/zinc/29/88/54/953298854.db2.gz MDCWNWYGRQGBNJ-UONOGXRCSA-N -1 1 384.444 0.368 20 0 GCADMM O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571248926 953298856 /nfs/dbraw/zinc/29/88/56/953298856.db2.gz MDCWNWYGRQGBNJ-UONOGXRCSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(C[C@H]1CCCOC1)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571248960 953299450 /nfs/dbraw/zinc/29/94/50/953299450.db2.gz MWQDBDAHWJDSCQ-MCIONIFRSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(C[C@H]1CCCOC1)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571248960 953299453 /nfs/dbraw/zinc/29/94/53/953299453.db2.gz MWQDBDAHWJDSCQ-MCIONIFRSA-N -1 1 384.444 0.368 20 0 GCADMM O=C(C[C@H]1CCCO1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571249298 953303164 /nfs/dbraw/zinc/30/31/64/953303164.db2.gz NUUVWJYSXOSMGJ-JCGVRSQUSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@H]1CCCO1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571249298 953303167 /nfs/dbraw/zinc/30/31/67/953303167.db2.gz NUUVWJYSXOSMGJ-JCGVRSQUSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1CCCCO1 ZINC001571249404 953304377 /nfs/dbraw/zinc/30/43/77/953304377.db2.gz PISGOZIMELDYAD-VFVRVIDISA-N -1 1 384.444 0.843 20 0 GCADMM O=C([C@H]1CCCCO1)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249415 953304414 /nfs/dbraw/zinc/30/44/14/953304414.db2.gz PLVADJMRVPITNP-RDTXWAMCSA-N -1 1 384.444 0.655 20 0 GCADMM O=C([C@H]1CCCCO1)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249415 953304417 /nfs/dbraw/zinc/30/44/17/953304417.db2.gz PLVADJMRVPITNP-RDTXWAMCSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@H]1CCCOC1 ZINC001571250322 953310390 /nfs/dbraw/zinc/31/03/90/953310390.db2.gz QTFLRUSGEAWXAW-GXTWGEPZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@H]1CCCOC1 ZINC001571250322 953310393 /nfs/dbraw/zinc/31/03/93/953310393.db2.gz QTFLRUSGEAWXAW-GXTWGEPZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571250285 953310583 /nfs/dbraw/zinc/31/05/83/953310583.db2.gz QAVDNADJJQGPAB-RSUWNVLCSA-N -1 1 384.444 0.875 20 0 GCADMM O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571250285 953310586 /nfs/dbraw/zinc/31/05/86/953310586.db2.gz QAVDNADJJQGPAB-RSUWNVLCSA-N -1 1 384.444 0.875 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571251333 953316926 /nfs/dbraw/zinc/31/69/26/953316926.db2.gz UEXNSZMLAOOHGH-ZENOOKHLSA-N -1 1 384.444 0.557 20 0 GCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571251333 953316933 /nfs/dbraw/zinc/31/69/33/953316933.db2.gz UEXNSZMLAOOHGH-ZENOOKHLSA-N -1 1 384.444 0.557 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571251695 953318468 /nfs/dbraw/zinc/31/84/68/953318468.db2.gz UIYQEORBBFIBLB-LMOYCYGVSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571251695 953318471 /nfs/dbraw/zinc/31/84/71/953318471.db2.gz UIYQEORBBFIBLB-LMOYCYGVSA-N -1 1 384.444 0.414 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](CO)[C@H]1C ZINC001571251702 953318707 /nfs/dbraw/zinc/31/87/07/953318707.db2.gz UOTZXLKZMKBVFV-DGCLKSJQSA-N -1 1 384.444 0.688 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](CO)[C@H]1C ZINC001571251702 953318711 /nfs/dbraw/zinc/31/87/11/953318711.db2.gz UOTZXLKZMKBVFV-DGCLKSJQSA-N -1 1 384.444 0.688 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)[C@@H]1C[C@]12CCOC2 ZINC001571251708 953318721 /nfs/dbraw/zinc/31/87/21/953318721.db2.gz UTFARYZSIRJVPG-RSLFNQERSA-N -1 1 384.444 0.923 20 0 GCADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)[C@@H]1C[C@]12CCOC2 ZINC001571251708 953318725 /nfs/dbraw/zinc/31/87/25/953318725.db2.gz UTFARYZSIRJVPG-RSLFNQERSA-N -1 1 384.444 0.923 20 0 GCADMM O=C([C@H]1COC(=O)N1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571251998 953322205 /nfs/dbraw/zinc/32/22/05/953322205.db2.gz DXDKXGFGBKFVRE-NTSWFWBYSA-N -1 1 384.809 0.098 20 0 GCADMM O=C([C@H]1COC(=O)N1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571251998 953322209 /nfs/dbraw/zinc/32/22/09/953322209.db2.gz DXDKXGFGBKFVRE-NTSWFWBYSA-N -1 1 384.809 0.098 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC001571254315 953338184 /nfs/dbraw/zinc/33/81/84/953338184.db2.gz BMYRSMVRTYPCTF-MGCOHNPYSA-N -1 1 385.359 0.331 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC001571254331 953338247 /nfs/dbraw/zinc/33/82/47/953338247.db2.gz BSAXVXFYJNEHHA-UHFFFAOYSA-N -1 1 385.306 0.470 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)on1 ZINC001571254734 953341788 /nfs/dbraw/zinc/34/17/88/953341788.db2.gz CGHQSCYQHJXZGF-SNVBAGLBSA-N -1 1 385.388 0.678 20 0 GCADMM COc1cc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)on1 ZINC001571254734 953341795 /nfs/dbraw/zinc/34/17/95/953341795.db2.gz CGHQSCYQHJXZGF-SNVBAGLBSA-N -1 1 385.388 0.678 20 0 GCADMM CCOc1nc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571254745 953342117 /nfs/dbraw/zinc/34/21/17/953342117.db2.gz CNSAZWLALBRLDW-SNVBAGLBSA-N -1 1 385.388 0.442 20 0 GCADMM CCOc1nc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571254745 953342124 /nfs/dbraw/zinc/34/21/24/953342124.db2.gz CNSAZWLALBRLDW-SNVBAGLBSA-N -1 1 385.388 0.442 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571254947 953344101 /nfs/dbraw/zinc/34/41/01/953344101.db2.gz DCIDCRYXTYQPMJ-JTQLQIEISA-N -1 1 385.388 0.618 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571254947 953344105 /nfs/dbraw/zinc/34/41/05/953344105.db2.gz DCIDCRYXTYQPMJ-JTQLQIEISA-N -1 1 385.388 0.618 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)on1 ZINC001571254994 953344271 /nfs/dbraw/zinc/34/42/71/953344271.db2.gz DLHAVRPWBVDLSZ-ZWNOBZJWSA-N -1 1 385.388 0.295 20 0 GCADMM Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)on1 ZINC001571254994 953344276 /nfs/dbraw/zinc/34/42/76/953344276.db2.gz DLHAVRPWBVDLSZ-ZWNOBZJWSA-N -1 1 385.388 0.295 20 0 GCADMM COCc1nocc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571254984 953344316 /nfs/dbraw/zinc/34/43/16/953344316.db2.gz DKWGZJVBGKIGTO-SNVBAGLBSA-N -1 1 385.388 0.142 20 0 GCADMM COc1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)on1 ZINC001571255391 953349041 /nfs/dbraw/zinc/34/90/41/953349041.db2.gz IWWWVLSWAGWFNZ-NXEZZACHSA-N -1 1 385.388 0.156 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)on1 ZINC001571255373 953349227 /nfs/dbraw/zinc/34/92/27/953349227.db2.gz IUDVNENCGRWORZ-SNVBAGLBSA-N -1 1 385.388 0.760 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)on1 ZINC001571255373 953349232 /nfs/dbraw/zinc/34/92/32/953349232.db2.gz IUDVNENCGRWORZ-SNVBAGLBSA-N -1 1 385.388 0.760 20 0 GCADMM Cc1cc(OCC(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)no1 ZINC001571255634 953352371 /nfs/dbraw/zinc/35/23/71/953352371.db2.gz KRUSYAPZTCVXQF-NSHDSACASA-N -1 1 385.388 0.435 20 0 GCADMM Cc1cc(OCC(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)no1 ZINC001571255634 953352376 /nfs/dbraw/zinc/35/23/76/953352376.db2.gz KRUSYAPZTCVXQF-NSHDSACASA-N -1 1 385.388 0.435 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571255695 953353222 /nfs/dbraw/zinc/35/32/22/953353222.db2.gz LLSKBFKFKUQMLV-INIZCTEOSA-N -1 1 385.388 0.032 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@](CO)(Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571255695 953353228 /nfs/dbraw/zinc/35/32/28/953353228.db2.gz LLSKBFKFKUQMLV-INIZCTEOSA-N -1 1 385.388 0.032 20 0 GCADMM CCOc1nc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)co1 ZINC001571255713 953354737 /nfs/dbraw/zinc/35/47/37/953354737.db2.gz LPJWMOOAUUVURA-SNVBAGLBSA-N -1 1 385.388 0.442 20 0 GCADMM CCOc1nc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)co1 ZINC001571255713 953354750 /nfs/dbraw/zinc/35/47/50/953354750.db2.gz LPJWMOOAUUVURA-SNVBAGLBSA-N -1 1 385.388 0.442 20 0 GCADMM Cc1ocnc1C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571255762 953356396 /nfs/dbraw/zinc/35/63/96/953356396.db2.gz MXEXHSCKXLVLTL-LLVKDONJSA-N -1 1 385.388 0.215 20 0 GCADMM Cc1ocnc1C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571255762 953356401 /nfs/dbraw/zinc/35/64/01/953356401.db2.gz MXEXHSCKXLVLTL-LLVKDONJSA-N -1 1 385.388 0.215 20 0 GCADMM COc1nc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)co1 ZINC001571256181 953365407 /nfs/dbraw/zinc/36/54/07/953365407.db2.gz PQQKPKFMNRWFCV-NXEZZACHSA-N -1 1 385.388 0.616 20 0 GCADMM COc1nc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)co1 ZINC001571256181 953365415 /nfs/dbraw/zinc/36/54/15/953365415.db2.gz PQQKPKFMNRWFCV-NXEZZACHSA-N -1 1 385.388 0.616 20 0 GCADMM COCc1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571256327 953369908 /nfs/dbraw/zinc/36/99/08/953369908.db2.gz SUQCLSSJUKLIGX-JTQLQIEISA-N -1 1 385.388 0.508 20 0 GCADMM COCc1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571256327 953369919 /nfs/dbraw/zinc/36/99/19/953369919.db2.gz SUQCLSSJUKLIGX-JTQLQIEISA-N -1 1 385.388 0.508 20 0 GCADMM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NCc1n[nH]c([C@@H]3CCCO3)n1)O2 ZINC001594777672 953603677 /nfs/dbraw/zinc/60/36/77/953603677.db2.gz INDRDRRESQFBOB-SVUPHLTFSA-N -1 1 379.417 0.868 20 0 GCADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)CNC3(C(=O)[O-])CCOCC3)CC2)C1 ZINC001589325669 953904897 /nfs/dbraw/zinc/90/48/97/953904897.db2.gz JQIFNITXZDCKMK-HNNXBMFYSA-N -1 1 395.500 0.707 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001593707073 954152391 /nfs/dbraw/zinc/15/23/91/954152391.db2.gz ISRSIKMDHMXPJI-UONOGXRCSA-N -1 1 382.438 0.825 20 0 GCADMM C[C@@H]1CN(C(=O)CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC(C)(C)O1 ZINC001589374257 954236141 /nfs/dbraw/zinc/23/61/41/954236141.db2.gz CDADGWQXXNIUMK-KFWWJZLASA-N -1 1 378.473 0.936 20 0 GCADMM CN(Cc1ccccc1)C1CN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001593760076 954476641 /nfs/dbraw/zinc/47/66/41/954476641.db2.gz QPAXXJLELOSFBZ-KRWDZBQOSA-N -1 1 388.468 0.978 20 0 GCADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCCCc1cn[nH]n1 ZINC001594888379 954484976 /nfs/dbraw/zinc/48/49/76/954484976.db2.gz CIPDRHMCMZXSGR-JQWIXIFHSA-N -1 1 391.350 0.640 20 0 GCADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001594888732 954493041 /nfs/dbraw/zinc/49/30/41/954493041.db2.gz GWDSAARECOUPOG-YWVKMMECSA-N -1 1 398.359 0.058 20 0 GCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cncc(O)c1 ZINC001594889249 954499526 /nfs/dbraw/zinc/49/95/26/954499526.db2.gz JYSQYSXTHSOXFP-PWSUYJOCSA-N -1 1 375.303 0.452 20 0 GCADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1csc(CO)n1 ZINC001594891075 954526588 /nfs/dbraw/zinc/52/65/88/954526588.db2.gz 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NDYSNFFCWPYSBD-UHFFFAOYSA-N -1 1 390.418 0.936 20 0 GCADMM CC1(C)C[S@](=O)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000440071361 531168809 /nfs/dbraw/zinc/16/88/09/531168809.db2.gz AUURBAURNQJZJW-JOCHJYFZSA-N -1 1 398.503 0.729 20 0 GCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000564677694 531175798 /nfs/dbraw/zinc/17/57/98/531175798.db2.gz BKTFAQNNYHRTSX-AWEZNQCLSA-N -1 1 384.435 0.527 20 0 GCADMM CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000564842453 531176731 /nfs/dbraw/zinc/17/67/31/531176731.db2.gz INGJMXZZAVTTDN-KBPBESRZSA-N -1 1 375.491 0.390 20 0 GCADMM Cc1cnc([C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)s1 ZINC000565227881 531180766 /nfs/dbraw/zinc/18/07/66/531180766.db2.gz KTYFROBWVGLPTJ-JTQLQIEISA-N -1 1 393.516 0.987 20 0 GCADMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2sccc2Br)nn1 ZINC000441874497 531182803 /nfs/dbraw/zinc/18/28/03/531182803.db2.gz QVQOJAOITQADKT-UHFFFAOYSA-N -1 1 395.260 0.754 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000565276217 531183679 /nfs/dbraw/zinc/18/36/79/531183679.db2.gz OTXYLDKNJCMPLE-JTQLQIEISA-N -1 1 384.849 0.538 20 0 GCADMM COc1cncc(NC(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)n1 ZINC000566315334 531196639 /nfs/dbraw/zinc/19/66/39/531196639.db2.gz KKKXTJJCXPEBDR-UHFFFAOYSA-N -1 1 388.431 0.056 20 0 GCADMM Cn1cc(NS(=O)(=O)CCCS(=O)(=O)[N-]CC(C)(F)F)ccc1=O ZINC000566485933 531198551 /nfs/dbraw/zinc/19/85/51/531198551.db2.gz VCWDFVFHSCDPHR-UHFFFAOYSA-N -1 1 387.430 0.092 20 0 GCADMM CCCN(CCc1cccc(F)c1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736478574 598829900 /nfs/dbraw/zinc/82/99/00/598829900.db2.gz DQNNDVPQPXWLJZ-UHFFFAOYSA-N -1 1 387.419 0.862 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCCN1C(=O)CNC1=O ZINC000737546277 598842752 /nfs/dbraw/zinc/84/27/52/598842752.db2.gz CYUISDRFHUCFMD-UHFFFAOYSA-N -1 1 399.367 0.658 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCCN1C(=O)CNC1=O ZINC000737546277 598842753 /nfs/dbraw/zinc/84/27/53/598842753.db2.gz CYUISDRFHUCFMD-UHFFFAOYSA-N -1 1 399.367 0.658 20 0 GCADMM COC[C@@H]1CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000736973589 598847152 /nfs/dbraw/zinc/84/71/52/598847152.db2.gz SXTCLWBTJSYQKK-CYBMUJFWSA-N -1 1 384.444 0.954 20 0 GCADMM COC[C@@H]1CCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000736973589 598847153 /nfs/dbraw/zinc/84/71/53/598847153.db2.gz SXTCLWBTJSYQKK-CYBMUJFWSA-N -1 1 384.444 0.954 20 0 GCADMM Cc1oc(NC(=O)COC(=O)COC[C@@H]2CCCO2)c(-c2nn[n-]n2)c1C ZINC000737553500 598849931 /nfs/dbraw/zinc/84/99/31/598849931.db2.gz XAZAMCBGUOWVJU-NSHDSACASA-N -1 1 379.373 0.754 20 0 GCADMM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000735475371 598873680 /nfs/dbraw/zinc/87/36/80/598873680.db2.gz PINYTFNAWITNRL-JTQLQIEISA-N -1 1 384.849 0.809 20 0 GCADMM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000735475371 598873681 /nfs/dbraw/zinc/87/36/81/598873681.db2.gz PINYTFNAWITNRL-JTQLQIEISA-N -1 1 384.849 0.809 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000737772604 598892102 /nfs/dbraw/zinc/89/21/02/598892102.db2.gz ZZLXCVUISUAMDE-UHFFFAOYSA-N -1 1 390.289 0.933 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000737202294 598894816 /nfs/dbraw/zinc/89/48/16/598894816.db2.gz ZVOHZRWCQUPTSX-GFCCVEGCSA-N -1 1 382.428 0.914 20 0 GCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000737487141 598895063 /nfs/dbraw/zinc/89/50/63/598895063.db2.gz FQQFENBKNSKCLK-UHFFFAOYSA-N -1 1 394.395 0.927 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000737202296 598895291 /nfs/dbraw/zinc/89/52/91/598895291.db2.gz ZVOHZRWCQUPTSX-LBPRGKRZSA-N -1 1 382.428 0.914 20 0 GCADMM CCOc1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1OC ZINC000736626991 598914411 /nfs/dbraw/zinc/91/44/11/598914411.db2.gz VZYBAMLFMQSNKB-UHFFFAOYSA-N -1 1 387.400 0.284 20 0 GCADMM O=C(NCc1nn[n-]n1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000738129529 598933440 /nfs/dbraw/zinc/93/34/40/598933440.db2.gz TZYFYLOBUXZKBL-UHFFFAOYSA-N -1 1 377.368 0.889 20 0 GCADMM CC[C@@H](C)NC(=O)CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736323465 598934183 /nfs/dbraw/zinc/93/41/83/598934183.db2.gz FDMOMFIJGZJUMB-CYBMUJFWSA-N -1 1 395.471 0.847 20 0 GCADMM CC[C@@H](C)NC(=O)CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736323465 598934185 /nfs/dbraw/zinc/93/41/85/598934185.db2.gz FDMOMFIJGZJUMB-CYBMUJFWSA-N -1 1 395.471 0.847 20 0 GCADMM CC[C@H](C)NC(=O)CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736323468 598934360 /nfs/dbraw/zinc/93/43/60/598934360.db2.gz FDMOMFIJGZJUMB-ZDUSSCGKSA-N -1 1 395.471 0.847 20 0 GCADMM CC[C@H](C)NC(=O)CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736323468 598934362 /nfs/dbraw/zinc/93/43/62/598934362.db2.gz FDMOMFIJGZJUMB-ZDUSSCGKSA-N -1 1 395.471 0.847 20 0 GCADMM O=C(NN1CC(=O)[N-]C1=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000738306497 598965442 /nfs/dbraw/zinc/96/54/42/598965442.db2.gz JWJFQQDJQBDCBC-UHFFFAOYSA-N -1 1 393.363 0.642 20 0 GCADMM Cc1c([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cccc1-c1nn[nH]n1 ZINC000822129591 607255252 /nfs/dbraw/zinc/25/52/52/607255252.db2.gz MIPKAJOOGHDIHJ-UHFFFAOYSA-N -1 1 399.392 0.506 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCc1cnn(C)c1 ZINC000737487472 598975270 /nfs/dbraw/zinc/97/52/70/598975270.db2.gz JMDUGINCKGKURB-UHFFFAOYSA-N -1 1 395.427 0.978 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCc1cnn(C)c1 ZINC000737487472 598975271 /nfs/dbraw/zinc/97/52/71/598975271.db2.gz JMDUGINCKGKURB-UHFFFAOYSA-N -1 1 395.427 0.978 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000738260095 598982318 /nfs/dbraw/zinc/98/23/18/598982318.db2.gz ZIJRSSFRIVJRRV-QWHCGFSZSA-N -1 1 392.441 0.070 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000738260095 598982320 /nfs/dbraw/zinc/98/23/20/598982320.db2.gz ZIJRSSFRIVJRRV-QWHCGFSZSA-N -1 1 392.441 0.070 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000738260093 598982949 /nfs/dbraw/zinc/98/29/49/598982949.db2.gz ZIJRSSFRIVJRRV-CHWSQXEVSA-N -1 1 392.441 0.070 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000738260093 598982951 /nfs/dbraw/zinc/98/29/51/598982951.db2.gz ZIJRSSFRIVJRRV-CHWSQXEVSA-N -1 1 392.441 0.070 20 0 GCADMM O=C(Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)N1CCOCC1 ZINC000738158720 598993369 /nfs/dbraw/zinc/99/33/69/598993369.db2.gz IVWHSYLWDSAIMN-UHFFFAOYSA-N -1 1 393.407 0.915 20 0 GCADMM O=C(Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)N1CCOCC1 ZINC000738158720 598993370 /nfs/dbraw/zinc/99/33/70/598993370.db2.gz IVWHSYLWDSAIMN-UHFFFAOYSA-N -1 1 393.407 0.915 20 0 GCADMM NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737749068 599003495 /nfs/dbraw/zinc/00/34/95/599003495.db2.gz WDFZMXFGRWIZRU-UHFFFAOYSA-N -1 1 380.368 0.119 20 0 GCADMM NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737749068 599003496 /nfs/dbraw/zinc/00/34/96/599003496.db2.gz WDFZMXFGRWIZRU-UHFFFAOYSA-N -1 1 380.368 0.119 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCCOC[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000737187353 599014278 /nfs/dbraw/zinc/01/42/78/599014278.db2.gz QWXPNAYJCPHMNA-SNVBAGLBSA-N -1 1 394.457 0.862 20 0 GCADMM Cc1oc(NC(=O)COC(=O)[C@H](O)C2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000737551580 599017034 /nfs/dbraw/zinc/01/70/34/599017034.db2.gz JGIIBORXNKJTEV-CYBMUJFWSA-N -1 1 379.373 0.346 20 0 GCADMM COc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)nc2)cc1[N-]S(C)(=O)=O ZINC000737104488 599020558 /nfs/dbraw/zinc/02/05/58/599020558.db2.gz PZAMUUXQTCVOLM-UHFFFAOYSA-N -1 1 389.397 0.894 20 0 GCADMM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737738278 599021587 /nfs/dbraw/zinc/02/15/87/599021587.db2.gz HEDPPJQJYXZFQC-INIZCTEOSA-N -1 1 392.423 0.246 20 0 GCADMM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737738278 599021589 /nfs/dbraw/zinc/02/15/89/599021589.db2.gz HEDPPJQJYXZFQC-INIZCTEOSA-N -1 1 392.423 0.246 20 0 GCADMM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737169240 599023828 /nfs/dbraw/zinc/02/38/28/599023828.db2.gz QHMNITBUDRGOFN-GFCCVEGCSA-N -1 1 379.446 0.196 20 0 GCADMM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737169240 599023830 /nfs/dbraw/zinc/02/38/30/599023830.db2.gz QHMNITBUDRGOFN-GFCCVEGCSA-N -1 1 379.446 0.196 20 0 GCADMM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738075340 599022993 /nfs/dbraw/zinc/02/29/93/599022993.db2.gz NFPWAKUKXMQRKQ-UHFFFAOYSA-N -1 1 396.430 0.953 20 0 GCADMM Cn1ccnc1[C@@](O)(CCNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000737615009 599024020 /nfs/dbraw/zinc/02/40/20/599024020.db2.gz DIBYTYOWIFNZHN-AWEZNQCLSA-N -1 1 396.333 0.565 20 0 GCADMM Cn1ccnc1[C@@](O)(CCNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000737615009 599024022 /nfs/dbraw/zinc/02/40/22/599024022.db2.gz DIBYTYOWIFNZHN-AWEZNQCLSA-N -1 1 396.333 0.565 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccccc2)CC1 ZINC000738038465 599026115 /nfs/dbraw/zinc/02/61/15/599026115.db2.gz IZRHZDYOEFOOPI-UHFFFAOYSA-N -1 1 392.423 0.340 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccccc2)CC1 ZINC000738038465 599026117 /nfs/dbraw/zinc/02/61/17/599026117.db2.gz IZRHZDYOEFOOPI-UHFFFAOYSA-N -1 1 392.423 0.340 20 0 GCADMM CCOC(=O)[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736595023 599049365 /nfs/dbraw/zinc/04/93/65/599049365.db2.gz UOVZIOLSKUZZEH-NSHDSACASA-N -1 1 378.389 0.279 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000737775941 599055665 /nfs/dbraw/zinc/05/56/65/599055665.db2.gz INUJSIWRGPNOFW-SNVBAGLBSA-N -1 1 396.367 0.110 20 0 GCADMM Cc1ccc(N2CCC[C@@H](Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)cc1 ZINC000822242647 599064812 /nfs/dbraw/zinc/06/48/12/599064812.db2.gz SGLXQXVUZZBRRT-CYBMUJFWSA-N -1 1 396.455 0.653 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2OCCc3sccc32)n(C)c1=O ZINC000822601371 599076435 /nfs/dbraw/zinc/07/64/35/599076435.db2.gz YIAUDMKPXKULSI-SECBINFHSA-N -1 1 375.414 0.052 20 0 GCADMM NC(=O)[C@@H]([NH2+]CCNC(=O)Cc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736706 599096442 /nfs/dbraw/zinc/09/64/42/599096442.db2.gz LENCFODUZVCPBJ-KRWDZBQOSA-N -1 1 397.414 0.481 20 0 GCADMM CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000735473575 599131206 /nfs/dbraw/zinc/13/12/06/599131206.db2.gz JLGUQBIMROIXSW-VIFPVBQESA-N -1 1 384.352 0.919 20 0 GCADMM CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000735473575 599131208 /nfs/dbraw/zinc/13/12/08/599131208.db2.gz JLGUQBIMROIXSW-VIFPVBQESA-N -1 1 384.352 0.919 20 0 GCADMM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000735474275 599135982 /nfs/dbraw/zinc/13/59/82/599135982.db2.gz NMVOVCOIHCRVNP-UHFFFAOYSA-N -1 1 386.393 0.999 20 0 GCADMM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000735474275 599135983 /nfs/dbraw/zinc/13/59/83/599135983.db2.gz NMVOVCOIHCRVNP-UHFFFAOYSA-N -1 1 386.393 0.999 20 0 GCADMM CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736326602 599137165 /nfs/dbraw/zinc/13/71/65/599137165.db2.gz BPOOGPKYLCCADS-RNCFNFMXSA-N -1 1 376.373 0.122 20 0 GCADMM CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736326602 599137168 /nfs/dbraw/zinc/13/71/68/599137168.db2.gz BPOOGPKYLCCADS-RNCFNFMXSA-N -1 1 376.373 0.122 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000736158699 599140589 /nfs/dbraw/zinc/14/05/89/599140589.db2.gz RMADVEDLYITNPD-JTQLQIEISA-N -1 1 393.363 0.792 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000736158699 599140590 /nfs/dbraw/zinc/14/05/90/599140590.db2.gz RMADVEDLYITNPD-JTQLQIEISA-N -1 1 393.363 0.792 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000736158458 599140635 /nfs/dbraw/zinc/14/06/35/599140635.db2.gz QFWAOSWZBRHBTD-ZETCQYMHSA-N -1 1 380.328 0.112 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000736158458 599140637 /nfs/dbraw/zinc/14/06/37/599140637.db2.gz QFWAOSWZBRHBTD-ZETCQYMHSA-N -1 1 380.328 0.112 20 0 GCADMM CCN1CCO[C@@H](CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000736567892 599163850 /nfs/dbraw/zinc/16/38/50/599163850.db2.gz GPUBRXKLYVZBCE-ZDUSSCGKSA-N -1 1 389.460 0.354 20 0 GCADMM c1cnc(-c2nn[n-]n2)c(Sc2nnnn2-c2ccc3c(c2)OCCO3)n1 ZINC000738446463 599207420 /nfs/dbraw/zinc/20/74/20/599207420.db2.gz YRKUCPWVZFNUBN-UHFFFAOYSA-N -1 1 382.369 0.555 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737549507 599209523 /nfs/dbraw/zinc/20/95/23/599209523.db2.gz WCICWPCOZIDVLN-MWLCHTKSSA-N -1 1 397.461 0.027 20 0 GCADMM Nc1n[nH]c(CCCNC(=S)Nc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000737769084 599222466 /nfs/dbraw/zinc/22/24/66/599222466.db2.gz DNIFVMZYDBOZED-UHFFFAOYSA-N -1 1 387.429 0.820 20 0 GCADMM Nc1n[nH]c(CCCNC(=S)Nc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000737769084 599222468 /nfs/dbraw/zinc/22/24/68/599222468.db2.gz DNIFVMZYDBOZED-UHFFFAOYSA-N -1 1 387.429 0.820 20 0 GCADMM O=S(=O)(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823567360 607259940 /nfs/dbraw/zinc/25/99/40/607259940.db2.gz RKCPVOPFBCPSGJ-UHFFFAOYSA-N -1 1 386.393 0.958 20 0 GCADMM O=S(=O)(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823567360 607259941 /nfs/dbraw/zinc/25/99/41/607259941.db2.gz RKCPVOPFBCPSGJ-UHFFFAOYSA-N -1 1 386.393 0.958 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000822005917 607266358 /nfs/dbraw/zinc/26/63/58/607266358.db2.gz VNKUAKJLNNPBHB-GXTWGEPZSA-N -1 1 389.460 0.352 20 0 GCADMM O=C(CN1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1)NC1CC1 ZINC000737883426 599260250 /nfs/dbraw/zinc/26/02/50/599260250.db2.gz QCFJQQFMHAKWGQ-UHFFFAOYSA-N -1 1 378.440 0.816 20 0 GCADMM CC(C)NC(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000735881007 599261117 /nfs/dbraw/zinc/26/11/17/599261117.db2.gz FLCRHVZRNTWEGL-UHFFFAOYSA-N -1 1 394.439 0.588 20 0 GCADMM CC(C)NC(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735881007 599261119 /nfs/dbraw/zinc/26/11/19/599261119.db2.gz FLCRHVZRNTWEGL-UHFFFAOYSA-N -1 1 394.439 0.588 20 0 GCADMM COCCCCN(Cc1ccccc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821687050 607305722 /nfs/dbraw/zinc/30/57/22/607305722.db2.gz LRILNQPBRDOPIU-UHFFFAOYSA-N -1 1 399.455 0.697 20 0 GCADMM CC(=O)NC[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000735473937 599269886 /nfs/dbraw/zinc/26/98/86/599269886.db2.gz LSIQTRNTDCXVTB-ZWNOBZJWSA-N -1 1 391.432 0.240 20 0 GCADMM CC(=O)NCCN(C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)[C@H](C)C(=O)[O-] ZINC000272659867 597693679 /nfs/dbraw/zinc/69/36/79/597693679.db2.gz SESONXZQDCSFKV-SECBINFHSA-N -1 1 392.437 0.274 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1-c1nn[n-]n1 ZINC000737188082 599275684 /nfs/dbraw/zinc/27/56/84/599275684.db2.gz YBJJOBQESUULDN-SNVBAGLBSA-N -1 1 377.430 0.382 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCc1cn[nH]c1 ZINC000822459103 607322417 /nfs/dbraw/zinc/32/24/17/607322417.db2.gz MKBXJMPOPPOTDJ-UHFFFAOYSA-N -1 1 381.400 0.968 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCc1cn[nH]c1 ZINC000822459103 607322418 /nfs/dbraw/zinc/32/24/18/607322418.db2.gz MKBXJMPOPPOTDJ-UHFFFAOYSA-N -1 1 381.400 0.968 20 0 GCADMM COC(=O)N1CC(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000821663987 607325188 /nfs/dbraw/zinc/32/51/88/607325188.db2.gz XOHVBZKNBYUAGM-UHFFFAOYSA-N -1 1 399.415 0.026 20 0 GCADMM COC(=O)N1CC(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000821663987 607325189 /nfs/dbraw/zinc/32/51/89/607325189.db2.gz XOHVBZKNBYUAGM-UHFFFAOYSA-N -1 1 399.415 0.026 20 0 GCADMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cn1C ZINC000821635093 607327909 /nfs/dbraw/zinc/32/79/09/607327909.db2.gz MCMRBZRMPWQDJK-UHFFFAOYSA-N -1 1 379.377 0.505 20 0 GCADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820220420 607331828 /nfs/dbraw/zinc/33/18/28/607331828.db2.gz UNRJTBZYKCPHIW-ZWNOBZJWSA-N -1 1 383.412 0.093 20 0 GCADMM CCc1nc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3F)CCO2)n[nH]1 ZINC000422627127 598171598 /nfs/dbraw/zinc/17/15/98/598171598.db2.gz MWUJPAZVKNZVSE-LBPRGKRZSA-N -1 1 391.359 0.743 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCN1CCO[C@@H](C)C1 ZINC000737198772 598231605 /nfs/dbraw/zinc/23/16/05/598231605.db2.gz CYUBFLHHZHCZRK-NSHDSACASA-N -1 1 389.460 0.354 20 0 GCADMM Cc1ccn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822370156 607348386 /nfs/dbraw/zinc/34/83/86/607348386.db2.gz RXOUTFWQNQVLRP-UHFFFAOYSA-N -1 1 395.423 0.812 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccccc2F)CC1 ZINC000738354755 598260107 /nfs/dbraw/zinc/26/01/07/598260107.db2.gz KNOJAXFBYKUGRU-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccccc2F)CC1 ZINC000738354755 598260108 /nfs/dbraw/zinc/26/01/08/598260108.db2.gz KNOJAXFBYKUGRU-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000737186908 598262484 /nfs/dbraw/zinc/26/24/84/598262484.db2.gz LNVNYRYDKQZWCK-VHSXEESVSA-N -1 1 393.473 0.528 20 0 GCADMM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736912325 598262686 /nfs/dbraw/zinc/26/26/86/598262686.db2.gz PYKNSBOJIIKKAE-CQSZACIVSA-N -1 1 388.409 0.844 20 0 GCADMM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736912325 598262688 /nfs/dbraw/zinc/26/26/88/598262688.db2.gz PYKNSBOJIIKKAE-CQSZACIVSA-N -1 1 388.409 0.844 20 0 GCADMM CCOC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736591669 598263493 /nfs/dbraw/zinc/26/34/93/598263493.db2.gz GOIRMMIQUPWAEE-UHFFFAOYSA-N -1 1 380.430 0.616 20 0 GCADMM CCOC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736591669 598263495 /nfs/dbraw/zinc/26/34/95/598263495.db2.gz GOIRMMIQUPWAEE-UHFFFAOYSA-N -1 1 380.430 0.616 20 0 GCADMM CN(CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000736801075 598265900 /nfs/dbraw/zinc/26/59/00/598265900.db2.gz PQEXYUWNRITZDY-UHFFFAOYSA-N -1 1 397.461 0.797 20 0 GCADMM CN(CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000736801075 598265901 /nfs/dbraw/zinc/26/59/01/598265901.db2.gz PQEXYUWNRITZDY-UHFFFAOYSA-N -1 1 397.461 0.797 20 0 GCADMM O=C(NCC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738044529 598266072 /nfs/dbraw/zinc/26/60/72/598266072.db2.gz KZJIYYISIQSYDL-GFCCVEGCSA-N -1 1 391.457 0.189 20 0 GCADMM O=C(NCC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738044529 598266073 /nfs/dbraw/zinc/26/60/73/598266073.db2.gz KZJIYYISIQSYDL-GFCCVEGCSA-N -1 1 391.457 0.189 20 0 GCADMM O=S(=O)(NCc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344729 598266162 /nfs/dbraw/zinc/26/61/62/598266162.db2.gz HBEWGLQUHQOAPD-UHFFFAOYSA-N -1 1 396.436 0.985 20 0 GCADMM O=S(=O)(NCc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344729 598266163 /nfs/dbraw/zinc/26/61/63/598266163.db2.gz HBEWGLQUHQOAPD-UHFFFAOYSA-N -1 1 396.436 0.985 20 0 GCADMM O=C(NC1CC1)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000738019303 598266268 /nfs/dbraw/zinc/26/62/68/598266268.db2.gz JNIOHRODKCKQOR-UHFFFAOYSA-N -1 1 399.436 0.632 20 0 GCADMM O=C(NC1CC1)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000738019303 598266269 /nfs/dbraw/zinc/26/62/69/598266269.db2.gz JNIOHRODKCKQOR-UHFFFAOYSA-N -1 1 399.436 0.632 20 0 GCADMM CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736827702 598267086 /nfs/dbraw/zinc/26/70/86/598267086.db2.gz GVMJUSSXCPCYKK-UHFFFAOYSA-N -1 1 387.425 0.199 20 0 GCADMM CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736827702 598267087 /nfs/dbraw/zinc/26/70/87/598267087.db2.gz GVMJUSSXCPCYKK-UHFFFAOYSA-N -1 1 387.425 0.199 20 0 GCADMM COc1ccc(OC)c(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737107990 598267596 /nfs/dbraw/zinc/26/75/96/598267596.db2.gz HWXYCXHZUWGTQG-UHFFFAOYSA-N -1 1 390.425 0.800 20 0 GCADMM COc1ccc(OC)c(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737107990 598267598 /nfs/dbraw/zinc/26/75/98/598267598.db2.gz HWXYCXHZUWGTQG-UHFFFAOYSA-N -1 1 390.425 0.800 20 0 GCADMM CC(C)CC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735759279 598268088 /nfs/dbraw/zinc/26/80/88/598268088.db2.gz RBCWNDBYQLQSGW-UHFFFAOYSA-N -1 1 393.473 0.577 20 0 GCADMM CC(C)CC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735759279 598268089 /nfs/dbraw/zinc/26/80/89/598268089.db2.gz RBCWNDBYQLQSGW-UHFFFAOYSA-N -1 1 393.473 0.577 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000738356225 598268187 /nfs/dbraw/zinc/26/81/87/598268187.db2.gz ZEIKLJDVMMNAPQ-VIFPVBQESA-N -1 1 392.363 0.994 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000738356225 598268189 /nfs/dbraw/zinc/26/81/89/598268189.db2.gz ZEIKLJDVMMNAPQ-VIFPVBQESA-N -1 1 392.363 0.994 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000738074185 598269341 /nfs/dbraw/zinc/26/93/41/598269341.db2.gz HZWBSPAPDBDCCN-UHFFFAOYSA-N -1 1 391.388 0.109 20 0 GCADMM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000738074185 598269342 /nfs/dbraw/zinc/26/93/42/598269342.db2.gz HZWBSPAPDBDCCN-UHFFFAOYSA-N -1 1 391.388 0.109 20 0 GCADMM CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735857670 598269875 /nfs/dbraw/zinc/26/98/75/598269875.db2.gz XJYYJFXBLZUFJH-GFCCVEGCSA-N -1 1 397.486 0.192 20 0 GCADMM CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735857670 598269877 /nfs/dbraw/zinc/26/98/77/598269877.db2.gz XJYYJFXBLZUFJH-GFCCVEGCSA-N -1 1 397.486 0.192 20 0 GCADMM CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736323481 598270068 /nfs/dbraw/zinc/27/00/68/598270068.db2.gz FGLAKINXJYCWPG-JOYOIKCWSA-N -1 1 397.486 0.240 20 0 GCADMM CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736323481 598270069 /nfs/dbraw/zinc/27/00/69/598270069.db2.gz FGLAKINXJYCWPG-JOYOIKCWSA-N -1 1 397.486 0.240 20 0 GCADMM Cc1oc(NC(=O)COC(=O)c2ccc3nncn3c2)c(-c2nn[n-]n2)c1C ZINC000737552408 598289434 /nfs/dbraw/zinc/28/94/34/598289434.db2.gz PGCUBIRFFSBNDS-UHFFFAOYSA-N -1 1 382.340 0.915 20 0 GCADMM CCCC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736415298 598300287 /nfs/dbraw/zinc/30/02/87/598300287.db2.gz GXIYVVOSQUSKFN-LBPRGKRZSA-N -1 1 393.473 0.579 20 0 GCADMM CCCC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736415298 598300289 /nfs/dbraw/zinc/30/02/89/598300289.db2.gz GXIYVVOSQUSKFN-LBPRGKRZSA-N -1 1 393.473 0.579 20 0 GCADMM NC(=O)c1ccc(NC(=S)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000737760804 598322907 /nfs/dbraw/zinc/32/29/07/598322907.db2.gz SPWOBNWZRSQJQU-UHFFFAOYSA-N -1 1 386.445 0.190 20 0 GCADMM NC(=O)c1ccc(NC(=S)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000737760804 598322909 /nfs/dbraw/zinc/32/29/09/598322909.db2.gz SPWOBNWZRSQJQU-UHFFFAOYSA-N -1 1 386.445 0.190 20 0 GCADMM O=C(CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)NCc1ccccc1 ZINC000737883303 598340953 /nfs/dbraw/zinc/34/09/53/598340953.db2.gz PMYVILQQQXGOCP-UHFFFAOYSA-N -1 1 379.428 0.095 20 0 GCADMM O=C(CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)NCc1ccccc1 ZINC000737883303 598340955 /nfs/dbraw/zinc/34/09/55/598340955.db2.gz PMYVILQQQXGOCP-UHFFFAOYSA-N -1 1 379.428 0.095 20 0 GCADMM COc1cc(CNc2nccnc2-c2nnn[n-]2)ccc1OCC(=O)N(C)C ZINC000737048122 598344387 /nfs/dbraw/zinc/34/43/87/598344387.db2.gz WVMNADDIBVFPTI-UHFFFAOYSA-N -1 1 384.400 0.744 20 0 GCADMM COc1cc(CNc2nccnc2-c2nn[n-]n2)ccc1OCC(=O)N(C)C ZINC000737048122 598344389 /nfs/dbraw/zinc/34/43/89/598344389.db2.gz WVMNADDIBVFPTI-UHFFFAOYSA-N -1 1 384.400 0.744 20 0 GCADMM O=C(COc1ccc(F)cc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737919920 598345317 /nfs/dbraw/zinc/34/53/17/598345317.db2.gz NJNXVIZIJCKSJG-UHFFFAOYSA-N -1 1 384.375 0.523 20 0 GCADMM O=C(COc1ccc(F)cc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737919920 598345319 /nfs/dbraw/zinc/34/53/19/598345319.db2.gz NJNXVIZIJCKSJG-UHFFFAOYSA-N -1 1 384.375 0.523 20 0 GCADMM O=C(CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)N1CCc2ccccc21 ZINC000737884982 598345865 /nfs/dbraw/zinc/34/58/65/598345865.db2.gz ZGEXALKSIPERRS-UHFFFAOYSA-N -1 1 391.439 0.368 20 0 GCADMM O=C(CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)N1CCc2ccccc21 ZINC000737884982 598345867 /nfs/dbraw/zinc/34/58/67/598345867.db2.gz ZGEXALKSIPERRS-UHFFFAOYSA-N -1 1 391.439 0.368 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000737198570 598346887 /nfs/dbraw/zinc/34/68/87/598346887.db2.gz BBPUUAGMXYKHFB-NSHDSACASA-N -1 1 389.460 0.042 20 0 GCADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736798418 598348373 /nfs/dbraw/zinc/34/83/73/598348373.db2.gz ZOKBVFKFRIUCMV-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736798418 598348374 /nfs/dbraw/zinc/34/83/74/598348374.db2.gz ZOKBVFKFRIUCMV-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM O=C1CCc2cc(OC[C@H](O)CNc3nccnc3-c3nnn[n-]3)ccc2N1 ZINC000738304229 598349229 /nfs/dbraw/zinc/34/92/29/598349229.db2.gz YBDKKFBODAURKA-LLVKDONJSA-N -1 1 382.384 0.393 20 0 GCADMM O=C1CCc2cc(OC[C@H](O)CNc3nccnc3-c3nn[n-]n3)ccc2N1 ZINC000738304229 598349230 /nfs/dbraw/zinc/34/92/30/598349230.db2.gz YBDKKFBODAURKA-LLVKDONJSA-N -1 1 382.384 0.393 20 0 GCADMM CS(=O)(=O)Cc1c2ccccc2oc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000737162558 598358510 /nfs/dbraw/zinc/35/85/10/598358510.db2.gz NBDYCSYMRMQKAF-UHFFFAOYSA-N -1 1 387.381 0.625 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCc2cccc(C(N)=O)c2)cc1-c1nn[n-]n1 ZINC000737188131 598359310 /nfs/dbraw/zinc/35/93/10/598359310.db2.gz ZXCMAXAMGWWCNT-UHFFFAOYSA-N -1 1 399.436 0.761 20 0 GCADMM Cc1oc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)c(-c2nn[n-]n2)c1C ZINC000737550660 598375845 /nfs/dbraw/zinc/37/58/45/598375845.db2.gz BMNDMSBMBQUSMZ-UHFFFAOYSA-N -1 1 383.416 1.000 20 0 GCADMM CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736721885 598376111 /nfs/dbraw/zinc/37/61/11/598376111.db2.gz JXGXRKLUDCDOMS-LLVKDONJSA-N -1 1 389.445 0.441 20 0 GCADMM CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736721885 598376112 /nfs/dbraw/zinc/37/61/12/598376112.db2.gz JXGXRKLUDCDOMS-LLVKDONJSA-N -1 1 389.445 0.441 20 0 GCADMM O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737849825 598380470 /nfs/dbraw/zinc/38/04/70/598380470.db2.gz HVZOPMHJRLIGMQ-UHFFFAOYSA-N -1 1 398.448 0.975 20 0 GCADMM O=C(CN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)NCc1ccccc1 ZINC000737883373 598386038 /nfs/dbraw/zinc/38/60/38/598386038.db2.gz PVZSQZYRNFHZOY-UHFFFAOYSA-N -1 1 379.428 0.095 20 0 GCADMM O=C(CN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)NCc1ccccc1 ZINC000737883373 598386039 /nfs/dbraw/zinc/38/60/39/598386039.db2.gz PVZSQZYRNFHZOY-UHFFFAOYSA-N -1 1 379.428 0.095 20 0 GCADMM CCOC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736598759 598397218 /nfs/dbraw/zinc/39/72/18/598397218.db2.gz HIRVBEYWVWJJEM-UHFFFAOYSA-N -1 1 395.445 0.503 20 0 GCADMM CCOC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736598759 598397219 /nfs/dbraw/zinc/39/72/19/598397219.db2.gz HIRVBEYWVWJJEM-UHFFFAOYSA-N -1 1 395.445 0.503 20 0 GCADMM CCO[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736612618 598407802 /nfs/dbraw/zinc/40/78/02/598407802.db2.gz AYMVKRMPFSJRKJ-NSHDSACASA-N -1 1 385.384 0.959 20 0 GCADMM CCO[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736612618 598407803 /nfs/dbraw/zinc/40/78/03/598407803.db2.gz AYMVKRMPFSJRKJ-NSHDSACASA-N -1 1 385.384 0.959 20 0 GCADMM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000735467297 598409279 /nfs/dbraw/zinc/40/92/79/598409279.db2.gz MAWMDBPAQKGRKK-JTQLQIEISA-N -1 1 394.413 0.480 20 0 GCADMM CC(C)OCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735895342 598409310 /nfs/dbraw/zinc/40/93/10/598409310.db2.gz VLORPRMFWPIOOF-UHFFFAOYSA-N -1 1 385.384 0.959 20 0 GCADMM CC(C)OCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735895342 598409311 /nfs/dbraw/zinc/40/93/11/598409311.db2.gz VLORPRMFWPIOOF-UHFFFAOYSA-N -1 1 385.384 0.959 20 0 GCADMM CCCOCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736486993 598409799 /nfs/dbraw/zinc/40/97/99/598409799.db2.gz CIIFHADSSJWWMY-UHFFFAOYSA-N -1 1 385.384 0.961 20 0 GCADMM CCCOCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736486993 598409800 /nfs/dbraw/zinc/40/98/00/598409800.db2.gz CIIFHADSSJWWMY-UHFFFAOYSA-N -1 1 385.384 0.961 20 0 GCADMM Cc1cc(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)n[nH]1 ZINC000737241556 598410146 /nfs/dbraw/zinc/41/01/46/598410146.db2.gz LOQXEEJMRDJRKQ-UHFFFAOYSA-N -1 1 393.367 0.879 20 0 GCADMM Cc1cc(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)n[nH]1 ZINC000737241556 598410148 /nfs/dbraw/zinc/41/01/48/598410148.db2.gz LOQXEEJMRDJRKQ-UHFFFAOYSA-N -1 1 393.367 0.879 20 0 GCADMM Cc1nc2n(n1)C[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)CC2 ZINC000737490882 598419287 /nfs/dbraw/zinc/41/92/87/598419287.db2.gz YUNLAZVCWLSROA-LBPRGKRZSA-N -1 1 397.443 0.548 20 0 GCADMM CN(Cc1ccc(F)cc1Cl)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736820597 598425675 /nfs/dbraw/zinc/42/56/75/598425675.db2.gz YWKJXJWTILUHIY-UHFFFAOYSA-N -1 1 379.783 0.693 20 0 GCADMM COC(=O)NCCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736936657 598459667 /nfs/dbraw/zinc/45/96/67/598459667.db2.gz FYVQZIACNRHERI-UHFFFAOYSA-N -1 1 390.404 0.127 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(=O)NCC1CCC1 ZINC000737200462 598542049 /nfs/dbraw/zinc/54/20/49/598542049.db2.gz NCNWOHNVGXTRDD-UHFFFAOYSA-N -1 1 388.428 0.976 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(Cc3ccccc3)n2)c1=O ZINC000736718422 598585291 /nfs/dbraw/zinc/58/52/91/598585291.db2.gz LAZLTKYMGNOCQU-UHFFFAOYSA-N -1 1 380.368 0.232 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)CC(=O)N2C ZINC000736129896 598613602 /nfs/dbraw/zinc/61/36/02/598613602.db2.gz JQTDHMZPUFOFRH-JTQLQIEISA-N -1 1 399.436 0.820 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)CC(=O)N2C ZINC000736129896 598613604 /nfs/dbraw/zinc/61/36/04/598613604.db2.gz JQTDHMZPUFOFRH-JTQLQIEISA-N -1 1 399.436 0.820 20 0 GCADMM O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737932127 598623505 /nfs/dbraw/zinc/62/35/05/598623505.db2.gz JPNOOSLZKMOKBC-GFCCVEGCSA-N -1 1 387.429 0.213 20 0 GCADMM COc1ccc2c(c1)CCCN(c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC000737119714 598673086 /nfs/dbraw/zinc/67/30/86/598673086.db2.gz TZOAFHJUSDNZGM-UHFFFAOYSA-N -1 1 383.412 0.226 20 0 GCADMM Cc1cccc2[nH]cc(CCNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)c21 ZINC000737408457 598674218 /nfs/dbraw/zinc/67/42/18/598674218.db2.gz MTVCHMKNKRBDIZ-UHFFFAOYSA-N -1 1 380.412 0.708 20 0 GCADMM COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736911911 598685276 /nfs/dbraw/zinc/68/52/76/598685276.db2.gz JNVXOYPZEYSILL-MWLCHTKSSA-N -1 1 378.389 0.277 20 0 GCADMM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735587271 598687880 /nfs/dbraw/zinc/68/78/80/598687880.db2.gz RWCRYHZMNDUZBN-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736828739 598692151 /nfs/dbraw/zinc/69/21/51/598692151.db2.gz RJFMLELDJDTRCP-UHFFFAOYSA-N -1 1 390.400 0.925 20 0 GCADMM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736482294 598692873 /nfs/dbraw/zinc/69/28/73/598692873.db2.gz VZHAETGMOJFXRY-LLVKDONJSA-N -1 1 396.448 0.933 20 0 GCADMM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736892661 598692968 /nfs/dbraw/zinc/69/29/68/598692968.db2.gz OSNIQJBAUBYLOY-SECBINFHSA-N -1 1 383.405 0.968 20 0 GCADMM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736482295 598692985 /nfs/dbraw/zinc/69/29/85/598692985.db2.gz VZHAETGMOJFXRY-NSHDSACASA-N -1 1 396.448 0.933 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](OCCO)C1 ZINC000822005294 607363106 /nfs/dbraw/zinc/36/31/06/607363106.db2.gz PJOJBITZAMTABF-ZDUSSCGKSA-N -1 1 390.444 0.517 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(F)cc2-c2nn[nH]n2)o1 ZINC000736882615 598708024 /nfs/dbraw/zinc/70/80/24/598708024.db2.gz MFWJFETYQOEJSE-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM COC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736892944 598719193 /nfs/dbraw/zinc/71/91/93/598719193.db2.gz QMJMPMHRNLCYOQ-AWEZNQCLSA-N -1 1 398.423 0.886 20 0 GCADMM CCCNC(=O)CN(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736484383 598719678 /nfs/dbraw/zinc/71/96/78/598719678.db2.gz XXWQKXLFZJEYOD-UHFFFAOYSA-N -1 1 383.412 0.166 20 0 GCADMM CCN(CC(=O)NC(C)C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736512420 598720677 /nfs/dbraw/zinc/72/06/77/598720677.db2.gz ZQHWBTNBJQWPCU-UHFFFAOYSA-N -1 1 397.439 0.555 20 0 GCADMM CCNC(=O)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736575248 598720882 /nfs/dbraw/zinc/72/08/82/598720882.db2.gz DCGIWZACVSGNNO-UHFFFAOYSA-N -1 1 375.776 0.681 20 0 GCADMM COCCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736984726 598721374 /nfs/dbraw/zinc/72/13/74/598721374.db2.gz ALPAADDXGFZVKS-UHFFFAOYSA-N -1 1 376.804 0.988 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)NC(=O)NC1CC1 ZINC000737981037 598722158 /nfs/dbraw/zinc/72/21/58/598722158.db2.gz HQXQZULSODRRCT-UHFFFAOYSA-N -1 1 387.787 0.823 20 0 GCADMM NC(=O)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000737760227 598723065 /nfs/dbraw/zinc/72/30/65/598723065.db2.gz XVLDBNQUFJAVLU-UHFFFAOYSA-N -1 1 392.173 0.139 20 0 GCADMM CN(C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000736781069 598746111 /nfs/dbraw/zinc/74/61/11/598746111.db2.gz XURDMGLUOXVKFV-UHFFFAOYSA-N -1 1 377.883 0.837 20 0 GCADMM CN(C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000736781069 598746112 /nfs/dbraw/zinc/74/61/12/598746112.db2.gz XURDMGLUOXVKFV-UHFFFAOYSA-N -1 1 377.883 0.837 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000737198529 598755059 /nfs/dbraw/zinc/75/50/59/598755059.db2.gz AOHAZKLDEFNBTB-VIFPVBQESA-N -1 1 396.473 0.408 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)c2ccc(Br)cc2)c1=O ZINC000737591545 598769616 /nfs/dbraw/zinc/76/96/16/598769616.db2.gz GUULVRKGEKVZBP-NSHDSACASA-N -1 1 393.201 0.223 20 0 GCADMM COC(=O)c1coc(C(=O)Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)c1 ZINC000736956551 598788932 /nfs/dbraw/zinc/78/89/32/598788932.db2.gz FKXKWWSGBYDMKK-UHFFFAOYSA-N -1 1 387.308 0.078 20 0 GCADMM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1nccnc1-c1nnn[n-]1 ZINC000736798795 598797343 /nfs/dbraw/zinc/79/73/43/598797343.db2.gz HAWJOENQIGXLDN-UHFFFAOYSA-N -1 1 389.464 0.646 20 0 GCADMM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1nccnc1-c1nn[n-]n1 ZINC000736798795 598797345 /nfs/dbraw/zinc/79/73/45/598797345.db2.gz HAWJOENQIGXLDN-UHFFFAOYSA-N -1 1 389.464 0.646 20 0 GCADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@H](N2CCOCC2)C1 ZINC000738352939 599301685 /nfs/dbraw/zinc/30/16/85/599301685.db2.gz CNVCKZLAFKFDLA-LBPRGKRZSA-N -1 1 398.876 0.615 20 0 GCADMM CC(C)(C)OC(=O)N(CC(=O)n1ncc(-c2nn[n-]n2)c1N)C[C@H]1CCCO1 ZINC000819928260 599315116 /nfs/dbraw/zinc/31/51/16/599315116.db2.gz MPFSLHKIIYEECQ-SNVBAGLBSA-N -1 1 392.420 0.702 20 0 GCADMM CC(=O)N[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc(F)cc1F ZINC000819802456 599315576 /nfs/dbraw/zinc/31/55/76/599315576.db2.gz BYKHPEBDITWPRI-LBPRGKRZSA-N -1 1 376.327 0.831 20 0 GCADMM COCCN(CCOC)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736994678 599333095 /nfs/dbraw/zinc/33/30/95/599333095.db2.gz KSGVFUKBGUBSOU-UHFFFAOYSA-N -1 1 375.838 0.804 20 0 GCADMM CC(C)C(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820012026 599336498 /nfs/dbraw/zinc/33/64/98/599336498.db2.gz RTNBEUZKLDLJFG-UHFFFAOYSA-N -1 1 396.448 0.931 20 0 GCADMM CC(C)C(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820012026 599336501 /nfs/dbraw/zinc/33/65/01/599336501.db2.gz RTNBEUZKLDLJFG-UHFFFAOYSA-N -1 1 396.448 0.931 20 0 GCADMM CC(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000819802533 599339392 /nfs/dbraw/zinc/33/93/92/599339392.db2.gz DXNJMSIYJSELSM-UHFFFAOYSA-N -1 1 384.849 0.809 20 0 GCADMM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000819803988 599339619 /nfs/dbraw/zinc/33/96/19/599339619.db2.gz RZIJTUQOFWVJSF-NSHDSACASA-N -1 1 382.421 0.543 20 0 GCADMM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000819803988 599339622 /nfs/dbraw/zinc/33/96/22/599339622.db2.gz RZIJTUQOFWVJSF-NSHDSACASA-N -1 1 382.421 0.543 20 0 GCADMM COC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821658714 599340511 /nfs/dbraw/zinc/34/05/11/599340511.db2.gz GDWGADHFJILNLZ-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM COC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821658714 599340513 /nfs/dbraw/zinc/34/05/13/599340513.db2.gz GDWGADHFJILNLZ-UHFFFAOYSA-N -1 1 383.405 0.970 20 0 GCADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000821656892 599343270 /nfs/dbraw/zinc/34/32/70/599343270.db2.gz BLGMDSUGUWYWTQ-JTQLQIEISA-N -1 1 387.805 0.083 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1ccc(=O)[nH]c1 ZINC000737486303 599347058 /nfs/dbraw/zinc/34/70/58/599347058.db2.gz CZKNOXDJFYDERU-UHFFFAOYSA-N -1 1 393.411 0.876 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1ccc(=O)[nH]c1 ZINC000737486303 599347062 /nfs/dbraw/zinc/34/70/62/599347062.db2.gz CZKNOXDJFYDERU-UHFFFAOYSA-N -1 1 393.411 0.876 20 0 GCADMM Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822492144 599357139 /nfs/dbraw/zinc/35/71/39/599357139.db2.gz SBSSYAPXAGHJLN-VIFPVBQESA-N -1 1 376.446 0.522 20 0 GCADMM Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822492144 599357142 /nfs/dbraw/zinc/35/71/42/599357142.db2.gz SBSSYAPXAGHJLN-VIFPVBQESA-N -1 1 376.446 0.522 20 0 GCADMM O=S(=O)(NC[C@@H]1OCCc2sccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573585 599368144 /nfs/dbraw/zinc/36/81/44/599368144.db2.gz XFFSSURVINFUDN-LBPRGKRZSA-N -1 1 378.439 0.916 20 0 GCADMM O=S(=O)(NC[C@@H]1OCCc2sccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573585 599368147 /nfs/dbraw/zinc/36/81/47/599368147.db2.gz XFFSSURVINFUDN-LBPRGKRZSA-N -1 1 378.439 0.916 20 0 GCADMM COC(=O)[C@](C)(NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CC1 ZINC000736887904 599380412 /nfs/dbraw/zinc/38/04/12/599380412.db2.gz JFVUQGVCZPOPBV-GOSISDBHSA-N -1 1 388.428 0.975 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000823123290 599385858 /nfs/dbraw/zinc/38/58/58/599385858.db2.gz WGIZMXIBFNFSIK-HNNXBMFYSA-N -1 1 384.371 0.768 20 0 GCADMM O=S(=O)(N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)N1CCCCCC1 ZINC000738330698 599402570 /nfs/dbraw/zinc/40/25/70/599402570.db2.gz RQJNLTALIXGXOA-UHFFFAOYSA-N -1 1 392.489 0.505 20 0 GCADMM O=S(=O)(N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)N1CCCCCC1 ZINC000738330698 599402576 /nfs/dbraw/zinc/40/25/76/599402576.db2.gz RQJNLTALIXGXOA-UHFFFAOYSA-N -1 1 392.489 0.505 20 0 GCADMM O=C(c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1)N1CCNC(=O)C1 ZINC000738304089 599412751 /nfs/dbraw/zinc/41/27/51/599412751.db2.gz WQYRJWBSBFVITF-UHFFFAOYSA-N -1 1 378.396 0.446 20 0 GCADMM O=C(c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1)N1CCNC(=O)C1 ZINC000738304089 599412754 /nfs/dbraw/zinc/41/27/54/599412754.db2.gz WQYRJWBSBFVITF-UHFFFAOYSA-N -1 1 378.396 0.446 20 0 GCADMM Cc1nc(S(=O)(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cs1 ZINC000737483768 599429079 /nfs/dbraw/zinc/42/90/79/599429079.db2.gz ZFPANOAZYVPEAJ-UHFFFAOYSA-N -1 1 392.470 0.538 20 0 GCADMM Cc1nc(S(=O)(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cs1 ZINC000737483768 599429081 /nfs/dbraw/zinc/42/90/81/599429081.db2.gz ZFPANOAZYVPEAJ-UHFFFAOYSA-N -1 1 392.470 0.538 20 0 GCADMM Cc1oc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000737551851 599448661 /nfs/dbraw/zinc/44/86/61/599448661.db2.gz JZDXXLUHZHZHTB-KOLCDFICSA-N -1 1 382.446 0.522 20 0 GCADMM COC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736906540 599449461 /nfs/dbraw/zinc/44/94/61/599449461.db2.gz GFTZXIFBCZJUBX-CQSZACIVSA-N -1 1 388.409 0.797 20 0 GCADMM COC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736906540 599449463 /nfs/dbraw/zinc/44/94/63/599449463.db2.gz GFTZXIFBCZJUBX-CQSZACIVSA-N -1 1 388.409 0.797 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NC[C@@](C)(O)c2ccco2)cc1-c1nn[n-]n1 ZINC000821979686 599450504 /nfs/dbraw/zinc/45/05/04/599450504.db2.gz UVWCOKOPXWUTCT-OAHLLOKOSA-N -1 1 376.398 0.920 20 0 GCADMM C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736224803 599451196 /nfs/dbraw/zinc/45/11/96/599451196.db2.gz NPRAKZLDCHKWBF-DTWKUNHWSA-N -1 1 389.434 0.202 20 0 GCADMM CCO[C@@H](C)c1noc(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)n1 ZINC000736612630 599462841 /nfs/dbraw/zinc/46/28/41/599462841.db2.gz BHLQAZFZHGRLNX-QMMMGPOBSA-N -1 1 375.345 0.344 20 0 GCADMM CCO[C@H](C)c1noc(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)n1 ZINC000736612629 599463306 /nfs/dbraw/zinc/46/33/06/599463306.db2.gz BHLQAZFZHGRLNX-MRVPVSSYSA-N -1 1 375.345 0.344 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000737201736 599470446 /nfs/dbraw/zinc/47/04/46/599470446.db2.gz VEYHMVMWUXBISL-SOZNTENNSA-N -1 1 392.485 0.885 20 0 GCADMM COCCN1C(=S)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)N(C)C)=C1C ZINC000821690461 599493277 /nfs/dbraw/zinc/49/32/77/599493277.db2.gz MTLNOBVFBLWWRP-ZDUSSCGKSA-N -1 1 391.457 0.700 20 0 GCADMM COCCN1C(=S)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)N(C)C)=C1C ZINC000821690461 599493281 /nfs/dbraw/zinc/49/32/81/599493281.db2.gz MTLNOBVFBLWWRP-ZDUSSCGKSA-N -1 1 391.457 0.700 20 0 GCADMM COCC[C@@](C)(O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821685767 599498423 /nfs/dbraw/zinc/49/84/23/599498423.db2.gz OWTDMRXBPDWNGK-QGZVFWFLSA-N -1 1 378.433 0.420 20 0 GCADMM COC(=O)NCCOC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736938345 599516644 /nfs/dbraw/zinc/51/66/44/599516644.db2.gz CQMRRYHHOPSZJQ-UHFFFAOYSA-N -1 1 388.388 0.358 20 0 GCADMM COC(=O)NCCOC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736938345 599516646 /nfs/dbraw/zinc/51/66/46/599516646.db2.gz CQMRRYHHOPSZJQ-UHFFFAOYSA-N -1 1 388.388 0.358 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000737486773 599556522 /nfs/dbraw/zinc/55/65/22/599556522.db2.gz DLXGYKTZCAMUTH-GFCCVEGCSA-N -1 1 397.443 0.196 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000737486773 599556525 /nfs/dbraw/zinc/55/65/25/599556525.db2.gz DLXGYKTZCAMUTH-GFCCVEGCSA-N -1 1 397.443 0.196 20 0 GCADMM Cc1c(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cnn1-c1ccccc1 ZINC000822130827 607383925 /nfs/dbraw/zinc/38/39/25/607383925.db2.gz YWIRFBTWHOOAAN-UHFFFAOYSA-N -1 1 379.384 0.502 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000737549734 599572741 /nfs/dbraw/zinc/57/27/41/599572741.db2.gz YCMZYRWWDFCFBF-JTQLQIEISA-N -1 1 390.425 0.818 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000737549734 599572743 /nfs/dbraw/zinc/57/27/43/599572743.db2.gz YCMZYRWWDFCFBF-JTQLQIEISA-N -1 1 390.425 0.818 20 0 GCADMM CCOC(=O)CNC(=O)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821330495 607384733 /nfs/dbraw/zinc/38/47/33/607384733.db2.gz MBQKTUHLMLHMPV-UHFFFAOYSA-N -1 1 399.864 0.872 20 0 GCADMM CCOC(=O)CNC(=O)C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000821330495 607384735 /nfs/dbraw/zinc/38/47/35/607384735.db2.gz MBQKTUHLMLHMPV-UHFFFAOYSA-N -1 1 399.864 0.872 20 0 GCADMM O=C(NN1CC(=O)[N-]C1=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738308289 599603156 /nfs/dbraw/zinc/60/31/56/599603156.db2.gz YYHBILIXIFAXHT-UHFFFAOYSA-N -1 1 378.352 0.807 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1nnnn1C(C)C ZINC000822009675 599651097 /nfs/dbraw/zinc/65/10/97/599651097.db2.gz AYIQNGIFAIYMRW-UHFFFAOYSA-N -1 1 387.404 0.828 20 0 GCADMM O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2c3ccccc3nnc2-c2nnn[n-]2)N1 ZINC000823541658 599686190 /nfs/dbraw/zinc/68/61/90/599686190.db2.gz RUNAMDSKRJOTNW-VVVCHXIZSA-N -1 1 379.384 0.600 20 0 GCADMM O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2c3ccccc3nnc2-c2nn[n-]n2)N1 ZINC000823541658 599686191 /nfs/dbraw/zinc/68/61/91/599686191.db2.gz RUNAMDSKRJOTNW-VVVCHXIZSA-N -1 1 379.384 0.600 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(CC(F)F)c2)c1-c1nnn[n-]1 ZINC000822907300 599693939 /nfs/dbraw/zinc/69/39/39/599693939.db2.gz GNUQDTUHJMUWTN-UHFFFAOYSA-N -1 1 381.351 0.388 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(CC(F)F)c2)c1-c1nn[n-]n1 ZINC000822907300 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ZINC000832130102 601777538 /nfs/dbraw/zinc/77/75/38/601777538.db2.gz YXWAEKSPKFFGKD-ZDUSSCGKSA-N -1 1 375.385 0.865 20 0 GCADMM COc1ccc(-c2nc(CNC(=O)N3CCO[C@@H](CC(=O)[O-])C3)n[nH]2)cc1 ZINC000832130102 601777541 /nfs/dbraw/zinc/77/75/41/601777541.db2.gz YXWAEKSPKFFGKD-ZDUSSCGKSA-N -1 1 375.385 0.865 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(CCO)CC1CC1 ZINC000826327382 607526499 /nfs/dbraw/zinc/52/64/99/607526499.db2.gz FPVSRDAMPWRKAW-UHFFFAOYSA-N -1 1 384.444 0.690 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(CCO)CC1CC1 ZINC000826327382 607526501 /nfs/dbraw/zinc/52/65/01/607526501.db2.gz FPVSRDAMPWRKAW-UHFFFAOYSA-N -1 1 384.444 0.690 20 0 GCADMM CC(C)CN1CCO[C@@H](CNC(=O)CN2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000826886179 601800344 /nfs/dbraw/zinc/80/03/44/601800344.db2.gz SYKQOQRVBSCLOE-OALUTQOASA-N -1 1 389.496 0.971 20 0 GCADMM COc1ccc(CN2C(=O)C(=O)N(CN3C[C@H](C(=O)[O-])[C@H](C)C3)C2=O)cc1 ZINC000832314353 601815666 /nfs/dbraw/zinc/81/56/66/601815666.db2.gz 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CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000311894851 602327076 /nfs/dbraw/zinc/32/70/76/602327076.db2.gz BIRVNRULGCNMIR-OAHLLOKOSA-N -1 1 378.454 0.863 20 0 GCADMM CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000311894851 602327078 /nfs/dbraw/zinc/32/70/78/602327078.db2.gz BIRVNRULGCNMIR-OAHLLOKOSA-N -1 1 378.454 0.863 20 0 GCADMM CCOCCO[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000825599364 607562392 /nfs/dbraw/zinc/56/23/92/607562392.db2.gz LETHBNOCKRIKDZ-JTQLQIEISA-N -1 1 394.457 0.957 20 0 GCADMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000826885937 602402076 /nfs/dbraw/zinc/40/20/76/602402076.db2.gz MMFBFZAJJIPXER-CYBMUJFWSA-N -1 1 381.404 0.935 20 0 GCADMM CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000830951370 602402519 /nfs/dbraw/zinc/40/25/19/602402519.db2.gz YYSFQKIFQCJTFD-UHFFFAOYSA-N -1 1 380.420 0.605 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc2n1CCCC2 ZINC000824999360 607565348 /nfs/dbraw/zinc/56/53/48/607565348.db2.gz FZUVBVIIWFAPHO-LBPRGKRZSA-N -1 1 394.443 0.540 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc2n1CCCC2 ZINC000824999360 607565349 /nfs/dbraw/zinc/56/53/49/607565349.db2.gz FZUVBVIIWFAPHO-LBPRGKRZSA-N -1 1 394.443 0.540 20 0 GCADMM NC(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826393380 607579240 /nfs/dbraw/zinc/57/92/40/607579240.db2.gz PPGHCIRBYFENAF-UHFFFAOYSA-N -1 1 376.373 0.583 20 0 GCADMM NC(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826393380 607579242 /nfs/dbraw/zinc/57/92/42/607579242.db2.gz PPGHCIRBYFENAF-UHFFFAOYSA-N -1 1 376.373 0.583 20 0 GCADMM CCNC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825471638 607579405 /nfs/dbraw/zinc/57/94/05/607579405.db2.gz ZNEWXJPZHGWJGZ-UHFFFAOYSA-N -1 1 383.409 0.042 20 0 GCADMM CCNC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825471638 607579406 /nfs/dbraw/zinc/57/94/06/607579406.db2.gz ZNEWXJPZHGWJGZ-UHFFFAOYSA-N -1 1 383.409 0.042 20 0 GCADMM CCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825471528 607579925 /nfs/dbraw/zinc/57/99/25/607579925.db2.gz VWSXLBCFXVPZAF-UHFFFAOYSA-N -1 1 399.864 0.556 20 0 GCADMM CCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825471528 607579927 /nfs/dbraw/zinc/57/99/27/607579927.db2.gz VWSXLBCFXVPZAF-UHFFFAOYSA-N -1 1 399.864 0.556 20 0 GCADMM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825841222 607581339 /nfs/dbraw/zinc/58/13/39/607581339.db2.gz UCWYHJBUMSITGG-SNVBAGLBSA-N -1 1 384.849 0.761 20 0 GCADMM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825841222 607581342 /nfs/dbraw/zinc/58/13/42/607581342.db2.gz UCWYHJBUMSITGG-SNVBAGLBSA-N -1 1 384.849 0.761 20 0 GCADMM C[C@H]1CN(CCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824984394 607581663 /nfs/dbraw/zinc/58/16/63/607581663.db2.gz JKYMADVJIFHSNG-RYUDHWBXSA-N -1 1 398.464 0.783 20 0 GCADMM CCN(C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1)c1cccnn1 ZINC000825419231 607587587 /nfs/dbraw/zinc/58/75/87/607587587.db2.gz LWMGXJUNMPFGEQ-AWEZNQCLSA-N -1 1 395.427 0.419 20 0 GCADMM CCN(C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1)c1cccnn1 ZINC000825419231 607587590 /nfs/dbraw/zinc/58/75/90/607587590.db2.gz LWMGXJUNMPFGEQ-AWEZNQCLSA-N -1 1 395.427 0.419 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)NCc1ccccc1 ZINC000826413128 607587626 /nfs/dbraw/zinc/58/76/26/607587626.db2.gz SFFHEKQDVBMRHS-UHFFFAOYSA-N -1 1 390.400 0.601 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)NCc1ccccc1 ZINC000826413128 607587627 /nfs/dbraw/zinc/58/76/27/607587627.db2.gz SFFHEKQDVBMRHS-UHFFFAOYSA-N -1 1 390.400 0.601 20 0 GCADMM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824909762 607591967 /nfs/dbraw/zinc/59/19/67/607591967.db2.gz UNXDBHDUZOMACZ-RKDXNWHRSA-N -1 1 384.849 0.795 20 0 GCADMM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824909762 607591969 /nfs/dbraw/zinc/59/19/69/607591969.db2.gz UNXDBHDUZOMACZ-RKDXNWHRSA-N -1 1 384.849 0.795 20 0 GCADMM O=C(CNS(=O)(=O)c1ccccc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826412973 607597851 /nfs/dbraw/zinc/59/78/51/607597851.db2.gz LQNUXJWNQFTDTA-UHFFFAOYSA-N -1 1 392.372 0.423 20 0 GCADMM O=C(CNS(=O)(=O)c1ccccc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826412973 607597852 /nfs/dbraw/zinc/59/78/52/607597852.db2.gz LQNUXJWNQFTDTA-UHFFFAOYSA-N -1 1 392.372 0.423 20 0 GCADMM O=C(CNC(=O)c1ccc2c(c1)OCO2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826412479 607598068 /nfs/dbraw/zinc/59/80/68/607598068.db2.gz PJKYAOVYURXVJJ-UHFFFAOYSA-N -1 1 382.336 0.464 20 0 GCADMM O=C(CNC(=O)c1ccc2c(c1)OCO2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826412479 607598070 /nfs/dbraw/zinc/59/80/70/607598070.db2.gz PJKYAOVYURXVJJ-UHFFFAOYSA-N -1 1 382.336 0.464 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)NC1CCCC1 ZINC000826412930 607602297 /nfs/dbraw/zinc/60/22/97/607602297.db2.gz JWEPLZDDRBJYCM-UHFFFAOYSA-N -1 1 384.849 0.857 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)NC1CCCC1 ZINC000826412930 607602299 /nfs/dbraw/zinc/60/22/99/607602299.db2.gz JWEPLZDDRBJYCM-UHFFFAOYSA-N -1 1 384.849 0.857 20 0 GCADMM CC(C)N1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1=O ZINC000824296689 607603006 /nfs/dbraw/zinc/60/30/06/607603006.db2.gz KINFKCUDWOVOCI-SECBINFHSA-N -1 1 384.849 0.808 20 0 GCADMM CC(C)N1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1=O ZINC000824296689 607603008 /nfs/dbraw/zinc/60/30/08/607603008.db2.gz KINFKCUDWOVOCI-SECBINFHSA-N -1 1 384.849 0.808 20 0 GCADMM CC(C)N1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1=O ZINC000824296692 607603026 /nfs/dbraw/zinc/60/30/26/607603026.db2.gz KINFKCUDWOVOCI-VIFPVBQESA-N -1 1 384.849 0.808 20 0 GCADMM CC(C)N1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1=O ZINC000824296692 607603028 /nfs/dbraw/zinc/60/30/28/607603028.db2.gz KINFKCUDWOVOCI-VIFPVBQESA-N -1 1 384.849 0.808 20 0 GCADMM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Nc1ccccc1 ZINC000826413046 607603376 /nfs/dbraw/zinc/60/33/76/607603376.db2.gz OCSGRSAZGBUVIG-UHFFFAOYSA-N -1 1 376.373 0.923 20 0 GCADMM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826098745 607604538 /nfs/dbraw/zinc/60/45/38/607604538.db2.gz NKAQYSOWDIQYQB-SECBINFHSA-N -1 1 383.405 0.968 20 0 GCADMM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826098745 607604539 /nfs/dbraw/zinc/60/45/39/607604539.db2.gz NKAQYSOWDIQYQB-SECBINFHSA-N -1 1 383.405 0.968 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Nc1cccnc1 ZINC000826408281 607605214 /nfs/dbraw/zinc/60/52/14/607605214.db2.gz YYBWULVPPSDYDJ-UHFFFAOYSA-N -1 1 391.388 0.708 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Nc1cccnc1 ZINC000826408281 607605216 /nfs/dbraw/zinc/60/52/16/607605216.db2.gz YYBWULVPPSDYDJ-UHFFFAOYSA-N -1 1 391.388 0.708 20 0 GCADMM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000826328901 607605459 /nfs/dbraw/zinc/60/54/59/607605459.db2.gz IVUNTVPWLCGLLT-VIFPVBQESA-N -1 1 378.393 0.199 20 0 GCADMM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000826328901 607605461 /nfs/dbraw/zinc/60/54/61/607605461.db2.gz IVUNTVPWLCGLLT-VIFPVBQESA-N -1 1 378.393 0.199 20 0 GCADMM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824216861 607606471 /nfs/dbraw/zinc/60/64/71/607606471.db2.gz WGELPXOUUBJPEQ-LBPRGKRZSA-N -1 1 384.849 0.665 20 0 GCADMM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824216861 607606473 /nfs/dbraw/zinc/60/64/73/607606473.db2.gz WGELPXOUUBJPEQ-LBPRGKRZSA-N -1 1 384.849 0.665 20 0 GCADMM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824859575 607608029 /nfs/dbraw/zinc/60/80/29/607608029.db2.gz QQOYRVRCKHJXOO-SSDOTTSWSA-N -1 1 390.347 0.395 20 0 GCADMM O=C(CN1CCN(c2ccccn2)CC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826411468 607610002 /nfs/dbraw/zinc/61/00/02/607610002.db2.gz ZNTGQFNDUZAOJA-UHFFFAOYSA-N -1 1 380.412 0.522 20 0 GCADMM O=C(CN1CCN(c2ccccn2)CC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826411468 607610004 /nfs/dbraw/zinc/61/00/04/607610004.db2.gz ZNTGQFNDUZAOJA-UHFFFAOYSA-N -1 1 380.412 0.522 20 0 GCADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825565356 607611811 /nfs/dbraw/zinc/61/18/11/607611811.db2.gz RRUCBLDUSINZHK-UHFFFAOYSA-N -1 1 382.333 0.673 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825599776 607612715 /nfs/dbraw/zinc/61/27/15/607612715.db2.gz RIORXNQLMNXIFF-UHFFFAOYSA-N -1 1 384.437 0.349 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825599776 607612717 /nfs/dbraw/zinc/61/27/17/607612717.db2.gz RIORXNQLMNXIFF-UHFFFAOYSA-N -1 1 384.437 0.349 20 0 GCADMM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000825750334 607616673 /nfs/dbraw/zinc/61/66/73/607616673.db2.gz QJHWYAVHVBMTBJ-SNVBAGLBSA-N -1 1 392.420 0.453 20 0 GCADMM NC(=O)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000826389335 607617184 /nfs/dbraw/zinc/61/71/84/607617184.db2.gz VTHZNINVGDZZCM-UHFFFAOYSA-N -1 1 384.849 0.844 20 0 GCADMM NC(=O)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000826389335 607617185 /nfs/dbraw/zinc/61/71/85/607617185.db2.gz VTHZNINVGDZZCM-UHFFFAOYSA-N -1 1 384.849 0.844 20 0 GCADMM C[S@@](=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826225001 607618771 /nfs/dbraw/zinc/61/87/71/607618771.db2.gz QYSXSABNYPCBGV-HSZRJFAPSA-N -1 1 383.377 0.542 20 0 GCADMM O=S(=O)(NC[C@@H](O)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489649 607625679 /nfs/dbraw/zinc/62/56/79/607625679.db2.gz WMWGTQLTJNBBBZ-CYBMUJFWSA-N -1 1 380.817 0.927 20 0 GCADMM O=S(=O)(NC[C@@H](O)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489649 607625681 /nfs/dbraw/zinc/62/56/81/607625681.db2.gz WMWGTQLTJNBBBZ-CYBMUJFWSA-N -1 1 380.817 0.927 20 0 GCADMM CC(C)COC[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824272029 607626207 /nfs/dbraw/zinc/62/62/07/607626207.db2.gz SOISUXKHZIBNIT-SNVBAGLBSA-N -1 1 389.865 0.832 20 0 GCADMM CC(C)COC[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824272029 607626208 /nfs/dbraw/zinc/62/62/08/607626208.db2.gz SOISUXKHZIBNIT-SNVBAGLBSA-N -1 1 389.865 0.832 20 0 GCADMM O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488835 607632333 /nfs/dbraw/zinc/63/23/33/607632333.db2.gz AAHCPAPDFSDMSM-ZDUSSCGKSA-N -1 1 377.401 0.888 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000826494600 607634811 /nfs/dbraw/zinc/63/48/11/607634811.db2.gz JEAKYWIYRMDHTE-UWVGGRQHSA-N -1 1 378.336 0.338 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000826494600 607634813 /nfs/dbraw/zinc/63/48/13/607634813.db2.gz JEAKYWIYRMDHTE-UWVGGRQHSA-N -1 1 378.336 0.338 20 0 GCADMM COCC[C@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826154471 607636422 /nfs/dbraw/zinc/63/64/22/607636422.db2.gz PYBMRLHEMNMUQU-ZDUSSCGKSA-N -1 1 375.838 0.586 20 0 GCADMM COCC[C@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826154471 607636423 /nfs/dbraw/zinc/63/64/23/607636423.db2.gz PYBMRLHEMNMUQU-ZDUSSCGKSA-N -1 1 375.838 0.586 20 0 GCADMM COc1ccc([C@H](CO)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826189126 607637462 /nfs/dbraw/zinc/63/74/62/607637462.db2.gz OAQRSIIONSEVRA-HNNXBMFYSA-N -1 1 390.425 0.624 20 0 GCADMM COc1ccc([C@H](CO)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826189126 607637464 /nfs/dbraw/zinc/63/74/64/607637464.db2.gz OAQRSIIONSEVRA-HNNXBMFYSA-N -1 1 390.425 0.624 20 0 GCADMM O=S(=O)(N[C@@H](CO)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487044 607638268 /nfs/dbraw/zinc/63/82/68/607638268.db2.gz BERAADCPNOIQGU-LBPRGKRZSA-N -1 1 382.352 0.552 20 0 GCADMM O=S(=O)(N[C@@H](CO)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487044 607638269 /nfs/dbraw/zinc/63/82/69/607638269.db2.gz BERAADCPNOIQGU-LBPRGKRZSA-N -1 1 382.352 0.552 20 0 GCADMM COc1cccc([C@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826215690 607645863 /nfs/dbraw/zinc/64/58/63/607645863.db2.gz WIOJATHJKLLCML-AWEZNQCLSA-N -1 1 376.398 0.282 20 0 GCADMM COc1cccc([C@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826215690 607645865 /nfs/dbraw/zinc/64/58/65/607645865.db2.gz WIOJATHJKLLCML-AWEZNQCLSA-N -1 1 376.398 0.282 20 0 GCADMM Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826360107 607647318 /nfs/dbraw/zinc/64/73/18/607647318.db2.gz XVESUAPNKDLVDQ-JTQLQIEISA-N -1 1 383.821 0.266 20 0 GCADMM Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826360107 607647319 /nfs/dbraw/zinc/64/73/19/607647319.db2.gz XVESUAPNKDLVDQ-JTQLQIEISA-N -1 1 383.821 0.266 20 0 GCADMM Cn1cc([C@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826360108 607647752 /nfs/dbraw/zinc/64/77/52/607647752.db2.gz XVESUAPNKDLVDQ-SNVBAGLBSA-N -1 1 383.821 0.266 20 0 GCADMM Cn1cc([C@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826360108 607647754 /nfs/dbraw/zinc/64/77/54/607647754.db2.gz XVESUAPNKDLVDQ-SNVBAGLBSA-N -1 1 383.821 0.266 20 0 GCADMM C[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC000824705444 607648200 /nfs/dbraw/zinc/64/82/00/607648200.db2.gz ASNIZUYZBPMSBX-MNOVXSKESA-N -1 1 384.437 0.081 20 0 GCADMM C[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC000824705444 607648202 /nfs/dbraw/zinc/64/82/02/607648202.db2.gz ASNIZUYZBPMSBX-MNOVXSKESA-N -1 1 384.437 0.081 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccncc2N1 ZINC000826480974 607652842 /nfs/dbraw/zinc/65/28/42/607652842.db2.gz AKBKSURJBLGUFH-UHFFFAOYSA-N -1 1 375.345 0.548 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccncc2N1 ZINC000826480974 607652844 /nfs/dbraw/zinc/65/28/44/607652844.db2.gz AKBKSURJBLGUFH-UHFFFAOYSA-N -1 1 375.345 0.548 20 0 GCADMM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824157184 607653470 /nfs/dbraw/zinc/65/34/70/607653470.db2.gz CLNNVZSHPQCGAS-UHFFFAOYSA-N -1 1 391.450 0.497 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000826496546 607650472 /nfs/dbraw/zinc/65/04/72/607650472.db2.gz ZNYYYGCAHHQEJM-LBPRGKRZSA-N -1 1 396.448 0.349 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000826496546 607650473 /nfs/dbraw/zinc/65/04/73/607650473.db2.gz ZNYYYGCAHHQEJM-LBPRGKRZSA-N -1 1 396.448 0.349 20 0 GCADMM CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825122050 607654337 /nfs/dbraw/zinc/65/43/37/607654337.db2.gz WPLFWJSJQQWDKB-LLVKDONJSA-N -1 1 384.437 0.083 20 0 GCADMM CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825122050 607654338 /nfs/dbraw/zinc/65/43/38/607654338.db2.gz WPLFWJSJQQWDKB-LLVKDONJSA-N -1 1 384.437 0.083 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](n2cncn2)C1 ZINC000826495795 607656736 /nfs/dbraw/zinc/65/67/36/607656736.db2.gz BQKGKHODVCDWRX-SNVBAGLBSA-N -1 1 378.393 0.623 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](n2cncn2)C1 ZINC000826495795 607656737 /nfs/dbraw/zinc/65/67/37/607656737.db2.gz BQKGKHODVCDWRX-SNVBAGLBSA-N -1 1 378.393 0.623 20 0 GCADMM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824440615 607666631 /nfs/dbraw/zinc/66/66/31/607666631.db2.gz HAWKUQNTMYNXCC-ZJUUUORDSA-N -1 1 387.849 0.992 20 0 GCADMM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824440615 607666632 /nfs/dbraw/zinc/66/66/32/607666632.db2.gz HAWKUQNTMYNXCC-ZJUUUORDSA-N -1 1 387.849 0.992 20 0 GCADMM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825750679 607669140 /nfs/dbraw/zinc/66/91/40/607669140.db2.gz VMKDCXQXFGKSMU-LLVKDONJSA-N -1 1 392.420 0.973 20 0 GCADMM COC(=O)[C@@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC000826124217 607669492 /nfs/dbraw/zinc/66/94/92/607669492.db2.gz QBPUTQNFZQRTRB-CYBMUJFWSA-N -1 1 387.805 0.131 20 0 GCADMM COC(=O)[C@@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC000826124217 607669493 /nfs/dbraw/zinc/66/94/93/607669493.db2.gz QBPUTQNFZQRTRB-CYBMUJFWSA-N -1 1 387.805 0.131 20 0 GCADMM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825471411 607671802 /nfs/dbraw/zinc/67/18/02/607671802.db2.gz TZVXNODJLXJECQ-VIFPVBQESA-N -1 1 383.409 0.088 20 0 GCADMM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825471411 607671804 /nfs/dbraw/zinc/67/18/04/607671804.db2.gz TZVXNODJLXJECQ-VIFPVBQESA-N -1 1 383.409 0.088 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000826494592 607675838 /nfs/dbraw/zinc/67/58/38/607675838.db2.gz IWGUOBKULNXBOP-NSHDSACASA-N -1 1 392.363 0.586 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000826494592 607675840 /nfs/dbraw/zinc/67/58/40/607675840.db2.gz IWGUOBKULNXBOP-NSHDSACASA-N -1 1 392.363 0.586 20 0 GCADMM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489961 607676062 /nfs/dbraw/zinc/67/60/62/607676062.db2.gz FUMKQRYEICYCFR-QMMMGPOBSA-N -1 1 391.862 0.376 20 0 GCADMM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489961 607676064 /nfs/dbraw/zinc/67/60/64/607676064.db2.gz FUMKQRYEICYCFR-QMMMGPOBSA-N -1 1 391.862 0.376 20 0 GCADMM CC(C)N1C(=O)N[C@@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1=O ZINC000824296989 607676202 /nfs/dbraw/zinc/67/62/02/607676202.db2.gz NVOKGCLXTLVRLT-CYBMUJFWSA-N -1 1 382.837 0.886 20 0 GCADMM CC(C)N1C(=O)N[C@@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1=O ZINC000824296989 607676203 /nfs/dbraw/zinc/67/62/03/607676203.db2.gz NVOKGCLXTLVRLT-CYBMUJFWSA-N -1 1 382.837 0.886 20 0 GCADMM C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000830935223 604318471 /nfs/dbraw/zinc/31/84/71/604318471.db2.gz SPPWHYXJVSRHOT-MRXNPFEDSA-N -1 1 390.440 0.920 20 0 GCADMM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000833251848 604424420 /nfs/dbraw/zinc/42/44/20/604424420.db2.gz YJSFBINUKJUUDB-AWEZNQCLSA-N -1 1 399.407 0.285 20 0 GCADMM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCN(CCC(=O)N(C)C)CC1 ZINC000833702752 604483538 /nfs/dbraw/zinc/48/35/38/604483538.db2.gz ZGISFENYWVYKCF-QGZVFWFLSA-N -1 1 377.441 0.695 20 0 GCADMM COC(=O)C1=C(CN[C@@]2(C(=O)[O-])CCOC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000833702921 604486629 /nfs/dbraw/zinc/48/66/29/604486629.db2.gz BMSODAGBCVLIAJ-BEFAXECRSA-N -1 1 389.408 0.643 20 0 GCADMM Cn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(F)(F)F)n1 ZINC000826361646 607695282 /nfs/dbraw/zinc/69/52/82/607695282.db2.gz HCSUCDSQUUIIFS-UHFFFAOYSA-N -1 1 388.335 0.493 20 0 GCADMM Cn1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(F)(F)F)n1 ZINC000826361646 607695283 /nfs/dbraw/zinc/69/52/83/607695283.db2.gz HCSUCDSQUUIIFS-UHFFFAOYSA-N -1 1 388.335 0.493 20 0 GCADMM O=C([O-])N1CC(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)C1 ZINC000831665524 604585931 /nfs/dbraw/zinc/58/59/31/604585931.db2.gz IMLJUDJUHIRHGA-UHFFFAOYSA-N -1 1 377.449 0.040 20 0 GCADMM CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3CC(=O)[O-])c2)CC1 ZINC000830955013 604659897 /nfs/dbraw/zinc/65/98/97/604659897.db2.gz WQIOGBLSROQNAQ-QGZVFWFLSA-N -1 1 388.468 0.838 20 0 GCADMM O=C([O-])c1ccc(N2CCN(C(=O)c3nnc4ccccc4c3O)CC2)nn1 ZINC000833783188 604661520 /nfs/dbraw/zinc/66/15/20/604661520.db2.gz XGXKMUNFCAPSCY-UHFFFAOYSA-N -1 1 380.364 0.786 20 0 GCADMM C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC(O)(C(=O)[O-])CC1 ZINC000833404118 604728276 /nfs/dbraw/zinc/72/82/76/604728276.db2.gz GQQVMCDCHIOZRK-ZDUSSCGKSA-N -1 1 378.425 0.417 20 0 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COCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])C1 ZINC000833724105 605923289 /nfs/dbraw/zinc/92/32/89/605923289.db2.gz GPWXXOKKPRQHHV-LLVKDONJSA-N -1 1 395.412 0.177 20 0 GCADMM CN1CCOc2ccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)cc21 ZINC000821628247 606115515 /nfs/dbraw/zinc/11/55/15/606115515.db2.gz DIBUIMIJJXFECS-UHFFFAOYSA-N -1 1 398.431 0.755 20 0 GCADMM CN1CCOc2ccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)cc21 ZINC000821628247 606115516 /nfs/dbraw/zinc/11/55/16/606115516.db2.gz DIBUIMIJJXFECS-UHFFFAOYSA-N -1 1 398.431 0.755 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1-c1nn[n-]n1 ZINC000821977179 606125646 /nfs/dbraw/zinc/12/56/46/606125646.db2.gz DXFHQQLDPOLZIN-HTQZYQBOSA-N -1 1 377.430 0.463 20 0 GCADMM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821321446 606134252 /nfs/dbraw/zinc/13/42/52/606134252.db2.gz XCFUVUDJOCSXHA-JTQLQIEISA-N -1 1 393.425 0.887 20 0 GCADMM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821321446 606134254 /nfs/dbraw/zinc/13/42/54/606134254.db2.gz XCFUVUDJOCSXHA-JTQLQIEISA-N -1 1 393.425 0.887 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000820508086 606135121 /nfs/dbraw/zinc/13/51/21/606135121.db2.gz MDKDTLYNDYQBIH-RKDXNWHRSA-N -1 1 399.454 0.119 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000820508086 606135123 /nfs/dbraw/zinc/13/51/23/606135123.db2.gz MDKDTLYNDYQBIH-RKDXNWHRSA-N -1 1 399.454 0.119 20 0 GCADMM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000822864691 606146117 /nfs/dbraw/zinc/14/61/17/606146117.db2.gz IJOSILYPPINION-SECBINFHSA-N -1 1 384.849 0.796 20 0 GCADMM CC[C@H](C)[C@H](O)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820859690 606147609 /nfs/dbraw/zinc/14/76/09/606147609.db2.gz GONNVGGLQCHGCG-NHYWBVRUSA-N -1 1 399.411 0.941 20 0 GCADMM CC[C@H](C)[C@H](O)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820859690 606147611 /nfs/dbraw/zinc/14/76/11/606147611.db2.gz GONNVGGLQCHGCG-NHYWBVRUSA-N -1 1 399.411 0.941 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C(=O)N3CCCCC3)CC2)n1 ZINC000822604825 606157459 /nfs/dbraw/zinc/15/74/59/606157459.db2.gz LYVMUGVEPVMKQH-UHFFFAOYSA-N -1 1 387.448 0.857 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C(=O)N3CCCCC3)CC2)n1 ZINC000822604825 606157461 /nfs/dbraw/zinc/15/74/61/606157461.db2.gz LYVMUGVEPVMKQH-UHFFFAOYSA-N -1 1 387.448 0.857 20 0 GCADMM CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821616716 606158613 /nfs/dbraw/zinc/15/86/13/606158613.db2.gz DLHDDEZZEQCJNX-UHFFFAOYSA-N -1 1 380.372 0.913 20 0 GCADMM CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821616716 606158615 /nfs/dbraw/zinc/15/86/15/606158615.db2.gz DLHDDEZZEQCJNX-UHFFFAOYSA-N -1 1 380.372 0.913 20 0 GCADMM Cc1nc(CN2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cs1 ZINC000822439946 606159980 /nfs/dbraw/zinc/15/99/80/606159980.db2.gz GGVZNLPUOGYRAN-UHFFFAOYSA-N -1 1 388.461 0.715 20 0 GCADMM Cc1nc(CN2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cs1 ZINC000822439946 606159982 /nfs/dbraw/zinc/15/99/82/606159982.db2.gz GGVZNLPUOGYRAN-UHFFFAOYSA-N -1 1 388.461 0.715 20 0 GCADMM COC(=O)c1ccc(OCCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821669462 606161283 /nfs/dbraw/zinc/16/12/83/606161283.db2.gz MVKGXGAHOOYASL-UHFFFAOYSA-N -1 1 386.372 0.587 20 0 GCADMM COC(=O)c1ccc(OCCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821669462 606161284 /nfs/dbraw/zinc/16/12/84/606161284.db2.gz MVKGXGAHOOYASL-UHFFFAOYSA-N -1 1 386.372 0.587 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCN2C(=O)COc3ccccc32)n1 ZINC000822614276 606161408 /nfs/dbraw/zinc/16/14/08/606161408.db2.gz LDLYIOCEBAPNBY-UHFFFAOYSA-N -1 1 397.399 0.537 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCN2C(=O)COc3ccccc32)n1 ZINC000822614276 606161409 /nfs/dbraw/zinc/16/14/09/606161409.db2.gz LDLYIOCEBAPNBY-UHFFFAOYSA-N -1 1 397.399 0.537 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCN(C(=O)C2CCC2)C2CC2)n1 ZINC000822614048 606161518 /nfs/dbraw/zinc/16/15/18/606161518.db2.gz JDZQKJAERKXENM-UHFFFAOYSA-N -1 1 387.448 0.903 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCN(C(=O)C2CCC2)C2CC2)n1 ZINC000822614048 606161519 /nfs/dbraw/zinc/16/15/19/606161519.db2.gz JDZQKJAERKXENM-UHFFFAOYSA-N -1 1 387.448 0.903 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(CCOc3ccccc3)CC2)n1 ZINC000822609608 606163010 /nfs/dbraw/zinc/16/30/10/606163010.db2.gz RWDFDMJFASEUMG-UHFFFAOYSA-N -1 1 397.443 0.829 20 0 GCADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000821571857 606163610 /nfs/dbraw/zinc/16/36/10/606163610.db2.gz ILYYIEZUWFYSRB-LLVKDONJSA-N -1 1 383.420 0.523 20 0 GCADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000821571857 606163612 /nfs/dbraw/zinc/16/36/12/606163612.db2.gz ILYYIEZUWFYSRB-LLVKDONJSA-N -1 1 383.420 0.523 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@](C)(O)c2ccc(F)cc2F)n1 ZINC000822614883 606164183 /nfs/dbraw/zinc/16/41/83/606164183.db2.gz VYUZPZTZVNCUIQ-HNNXBMFYSA-N -1 1 378.343 0.908 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@](C)(O)c2ccc(F)cc2F)n1 ZINC000822614883 606164185 /nfs/dbraw/zinc/16/41/85/606164185.db2.gz VYUZPZTZVNCUIQ-HNNXBMFYSA-N -1 1 378.343 0.908 20 0 GCADMM CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821009519 606166097 /nfs/dbraw/zinc/16/60/97/606166097.db2.gz UPPWTNCFCWSGEZ-NSHDSACASA-N -1 1 375.437 0.760 20 0 GCADMM CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821009519 606166099 /nfs/dbraw/zinc/16/60/99/606166099.db2.gz UPPWTNCFCWSGEZ-NSHDSACASA-N -1 1 375.437 0.760 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)c3ccsc3)CC2)n1 ZINC000822609506 606166939 /nfs/dbraw/zinc/16/69/39/606166939.db2.gz OTBNWQOTVACLBL-UHFFFAOYSA-N -1 1 387.429 0.652 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)c3ccsc3)CC2)n1 ZINC000822609506 606166940 /nfs/dbraw/zinc/16/69/40/606166940.db2.gz OTBNWQOTVACLBL-UHFFFAOYSA-N -1 1 387.429 0.652 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000822614294 606167523 /nfs/dbraw/zinc/16/75/23/606167523.db2.gz LMSPLFMVWRJKEY-NSHDSACASA-N -1 1 385.363 0.666 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000822614294 606167524 /nfs/dbraw/zinc/16/75/24/606167524.db2.gz LMSPLFMVWRJKEY-NSHDSACASA-N -1 1 385.363 0.666 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)n1 ZINC000822614055 606168626 /nfs/dbraw/zinc/16/86/26/606168626.db2.gz JIYWALFCOAADLZ-ZDUSSCGKSA-N -1 1 381.400 0.523 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)n1 ZINC000822614055 606168628 /nfs/dbraw/zinc/16/86/28/606168628.db2.gz JIYWALFCOAADLZ-ZDUSSCGKSA-N -1 1 381.400 0.523 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2CS(C)(=O)=O)n1 ZINC000822620575 606169218 /nfs/dbraw/zinc/16/92/18/606169218.db2.gz XKFLFGKCTGFKBT-UHFFFAOYSA-N -1 1 390.429 0.467 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2CS(C)(=O)=O)n1 ZINC000822620575 606169220 /nfs/dbraw/zinc/16/92/20/606169220.db2.gz XKFLFGKCTGFKBT-UHFFFAOYSA-N -1 1 390.429 0.467 20 0 GCADMM Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)n1 ZINC000822431832 606170076 /nfs/dbraw/zinc/17/00/76/606170076.db2.gz LJORJZLOWVSYNR-LBPRGKRZSA-N -1 1 385.436 0.753 20 0 GCADMM Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)n1 ZINC000822431832 606170077 /nfs/dbraw/zinc/17/00/77/606170077.db2.gz LJORJZLOWVSYNR-LBPRGKRZSA-N -1 1 385.436 0.753 20 0 GCADMM CN(C[C@H](O)COCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821595310 606171025 /nfs/dbraw/zinc/17/10/25/606171025.db2.gz SDSOPOXYTSIWKM-ZDUSSCGKSA-N -1 1 386.416 0.642 20 0 GCADMM CN(C[C@H](O)COCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821595310 606171027 /nfs/dbraw/zinc/17/10/27/606171027.db2.gz SDSOPOXYTSIWKM-ZDUSSCGKSA-N -1 1 386.416 0.642 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H](O)C(F)(F)F ZINC000822459810 606194450 /nfs/dbraw/zinc/19/44/50/606194450.db2.gz XMPHDJXFYPEAAW-LLVKDONJSA-N -1 1 398.349 0.498 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H](O)C(F)(F)F ZINC000822459810 606194452 /nfs/dbraw/zinc/19/44/52/606194452.db2.gz XMPHDJXFYPEAAW-LLVKDONJSA-N -1 1 398.349 0.498 20 0 GCADMM O=C(C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1)N1CC[C@H](O)C1 ZINC000822917765 606200874 /nfs/dbraw/zinc/20/08/74/606200874.db2.gz WLVYDCNCPYCPNO-LBPRGKRZSA-N -1 1 399.411 0.924 20 0 GCADMM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000821674966 606202366 /nfs/dbraw/zinc/20/23/66/606202366.db2.gz AFPUQDNVRZMURE-QMMMGPOBSA-N -1 1 397.392 0.917 20 0 GCADMM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000821674966 606202368 /nfs/dbraw/zinc/20/23/68/606202368.db2.gz AFPUQDNVRZMURE-QMMMGPOBSA-N -1 1 397.392 0.917 20 0 GCADMM CO[C@H](C)c1noc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000821674965 606202391 /nfs/dbraw/zinc/20/23/91/606202391.db2.gz AFPUQDNVRZMURE-MRVPVSSYSA-N -1 1 397.392 0.917 20 0 GCADMM CO[C@H](C)c1noc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000821674965 606202392 /nfs/dbraw/zinc/20/23/92/606202392.db2.gz AFPUQDNVRZMURE-MRVPVSSYSA-N -1 1 397.392 0.917 20 0 GCADMM COC(=O)C1CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000821655757 606213758 /nfs/dbraw/zinc/21/37/58/606213758.db2.gz QXNUATNHORDTNW-UHFFFAOYSA-N -1 1 388.428 0.928 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(NC(N)=O)CC1 ZINC000822534917 606287422 /nfs/dbraw/zinc/28/74/22/606287422.db2.gz CAVNRBZEAZTLPK-UHFFFAOYSA-N -1 1 384.400 0.832 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(NC(N)=O)CC1 ZINC000822534917 606287423 /nfs/dbraw/zinc/28/74/23/606287423.db2.gz CAVNRBZEAZTLPK-UHFFFAOYSA-N -1 1 384.400 0.832 20 0 GCADMM O=C(CCNS(=O)(=O)c1cccs1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822968879 606291661 /nfs/dbraw/zinc/29/16/61/606291661.db2.gz DGSXAQIFVPALIX-UHFFFAOYSA-N -1 1 394.438 0.941 20 0 GCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000823289097 606294440 /nfs/dbraw/zinc/29/44/40/606294440.db2.gz BDWSREVHVAAVGT-LBPRGKRZSA-N -1 1 379.380 0.955 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(Cc3ccccc3C)n2)c1=O ZINC000821565401 606310901 /nfs/dbraw/zinc/31/09/01/606310901.db2.gz RHZWPZHIYZUHII-UHFFFAOYSA-N -1 1 394.395 0.541 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCN1C1CC1 ZINC000823535681 606335075 /nfs/dbraw/zinc/33/50/75/606335075.db2.gz DTIVIUXTDUIFJV-UHFFFAOYSA-N -1 1 382.833 0.515 20 0 GCADMM COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821691076 606395523 /nfs/dbraw/zinc/39/55/23/606395523.db2.gz HRLOLSCQSHVZGX-NSHDSACASA-N -1 1 380.455 0.911 20 0 GCADMM O=C(CSC[C@@H](O)CO)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823055177 606429764 /nfs/dbraw/zinc/42/97/64/606429764.db2.gz JVELYZWNDVMKHI-NSHDSACASA-N -1 1 375.414 0.077 20 0 GCADMM O=C(CSC[C@@H](O)CO)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823055177 606429766 /nfs/dbraw/zinc/42/97/66/606429766.db2.gz JVELYZWNDVMKHI-NSHDSACASA-N -1 1 375.414 0.077 20 0 GCADMM CCO[C@H]1C[C@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1(CC)CC ZINC000821357192 606430719 /nfs/dbraw/zinc/43/07/19/606430719.db2.gz BAGSAAXCTZNZCF-RYUDHWBXSA-N -1 1 391.476 0.684 20 0 GCADMM COC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821656884 606434228 /nfs/dbraw/zinc/43/42/28/606434228.db2.gz BFWFXZVBELFPCK-SECBINFHSA-N -1 1 387.805 0.083 20 0 GCADMM COC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821656884 606434230 /nfs/dbraw/zinc/43/42/30/606434230.db2.gz BFWFXZVBELFPCK-SECBINFHSA-N -1 1 387.805 0.083 20 0 GCADMM O=C1CC2(CN1)CCN(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CC2 ZINC000823525960 606434483 /nfs/dbraw/zinc/43/44/83/606434483.db2.gz WUNVBSKBPMNSKA-UHFFFAOYSA-N -1 1 396.860 0.811 20 0 GCADMM O=C1CC2(CN1)CCN(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CC2 ZINC000823525960 606434485 /nfs/dbraw/zinc/43/44/85/606434485.db2.gz WUNVBSKBPMNSKA-UHFFFAOYSA-N -1 1 396.860 0.811 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@H]1Cc1ccccc1 ZINC000823601149 606436007 /nfs/dbraw/zinc/43/60/07/606436007.db2.gz UCOOPJXSXQKAGC-CQSZACIVSA-N -1 1 386.437 0.894 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@H]1Cc1ccccc1 ZINC000823601149 606436009 /nfs/dbraw/zinc/43/60/09/606436009.db2.gz UCOOPJXSXQKAGC-CQSZACIVSA-N -1 1 386.437 0.894 20 0 GCADMM O=c1[nH]c2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823657905 606436116 /nfs/dbraw/zinc/43/61/16/606436116.db2.gz WLRWQZMTQZEMJV-UHFFFAOYSA-N -1 1 386.397 0.296 20 0 GCADMM O=c1[nH]c2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823657905 606436118 /nfs/dbraw/zinc/43/61/18/606436118.db2.gz WLRWQZMTQZEMJV-UHFFFAOYSA-N -1 1 386.397 0.296 20 0 GCADMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000821620441 606444985 /nfs/dbraw/zinc/44/49/85/606444985.db2.gz JYERGZLLYZBURZ-ANRSDYALSA-N -1 1 375.414 0.379 20 0 GCADMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821620441 606444986 /nfs/dbraw/zinc/44/49/86/606444986.db2.gz JYERGZLLYZBURZ-ANRSDYALSA-N -1 1 375.414 0.379 20 0 GCADMM NC(=O)c1cccnc1N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000822890177 606463080 /nfs/dbraw/zinc/46/30/80/606463080.db2.gz OHJMLDAXLQWPSB-UHFFFAOYSA-N -1 1 391.848 0.797 20 0 GCADMM NC(=O)c1cccnc1N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000822890177 606463081 /nfs/dbraw/zinc/46/30/81/606463081.db2.gz OHJMLDAXLQWPSB-UHFFFAOYSA-N -1 1 391.848 0.797 20 0 GCADMM O=C(Cn1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)n1)N1CCOCC1 ZINC000823122818 606468193 /nfs/dbraw/zinc/46/81/93/606468193.db2.gz JBKMNUSZLFASOI-UHFFFAOYSA-N -1 1 389.807 0.714 20 0 GCADMM O=C(Cn1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)n1)N1CCOCC1 ZINC000823122818 606468195 /nfs/dbraw/zinc/46/81/95/606468195.db2.gz JBKMNUSZLFASOI-UHFFFAOYSA-N -1 1 389.807 0.714 20 0 GCADMM O=C(Cn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1)N1CCOCC1 ZINC000823118856 606469154 /nfs/dbraw/zinc/46/91/54/606469154.db2.gz SWXIUEMSEVMVEN-UHFFFAOYSA-N -1 1 389.807 0.714 20 0 GCADMM O=C(Cn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1)N1CCOCC1 ZINC000823118856 606469155 /nfs/dbraw/zinc/46/91/55/606469155.db2.gz SWXIUEMSEVMVEN-UHFFFAOYSA-N -1 1 389.807 0.714 20 0 GCADMM C[C@H]1CO[C@@H](c2ccccc2)CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820803469 606475088 /nfs/dbraw/zinc/47/50/88/606475088.db2.gz AKLVMQGLWKGMOV-WCQYABFASA-N -1 1 383.412 0.231 20 0 GCADMM C[C@H](N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)C(F)(F)F ZINC000820306709 606481887 /nfs/dbraw/zinc/48/18/87/606481887.db2.gz CRARRQIFMFMILB-VIFPVBQESA-N -1 1 391.379 0.519 20 0 GCADMM C[C@H](N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)C(F)(F)F ZINC000820306709 606481889 /nfs/dbraw/zinc/48/18/89/606481889.db2.gz CRARRQIFMFMILB-VIFPVBQESA-N -1 1 391.379 0.519 20 0 GCADMM COC(=O)[C@]1(F)CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821653554 606506032 /nfs/dbraw/zinc/50/60/32/606506032.db2.gz DSLCPKLKMOERJG-FVMDXXJSSA-N -1 1 380.380 0.991 20 0 GCADMM Cn1cc([C@H]2[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000821619465 606516658 /nfs/dbraw/zinc/51/66/58/606516658.db2.gz YLGHKUGVCLSLEH-CJNGLKHVSA-N -1 1 396.411 0.648 20 0 GCADMM Cn1cc([C@H]2[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000821619465 606516660 /nfs/dbraw/zinc/51/66/60/606516660.db2.gz YLGHKUGVCLSLEH-CJNGLKHVSA-N -1 1 396.411 0.648 20 0 GCADMM CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821139138 606526384 /nfs/dbraw/zinc/52/63/84/606526384.db2.gz PFXYUYUZKGGUKA-UHFFFAOYSA-N -1 1 384.487 0.862 20 0 GCADMM CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821139138 606526386 /nfs/dbraw/zinc/52/63/86/606526386.db2.gz PFXYUYUZKGGUKA-UHFFFAOYSA-N -1 1 384.487 0.862 20 0 GCADMM O=C(CNC(=O)c1cccc(Br)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823005371 606530770 /nfs/dbraw/zinc/53/07/70/606530770.db2.gz OEJDWTYOVYZZFJ-UHFFFAOYSA-N -1 1 391.189 0.721 20 0 GCADMM O=C(CNC(=O)c1cccc(Br)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823005371 606530772 /nfs/dbraw/zinc/53/07/72/606530772.db2.gz OEJDWTYOVYZZFJ-UHFFFAOYSA-N -1 1 391.189 0.721 20 0 GCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000823289098 606532875 /nfs/dbraw/zinc/53/28/75/606532875.db2.gz BFRPKKUOMSKQJY-SECBINFHSA-N -1 1 396.367 0.353 20 0 GCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000823289098 606532877 /nfs/dbraw/zinc/53/28/77/606532877.db2.gz BFRPKKUOMSKQJY-SECBINFHSA-N -1 1 396.367 0.353 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000822917145 606547973 /nfs/dbraw/zinc/54/79/73/606547973.db2.gz OKFXHZHIMFMWRX-LLVKDONJSA-N -1 1 376.442 0.782 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000822917145 606547975 /nfs/dbraw/zinc/54/79/75/606547975.db2.gz OKFXHZHIMFMWRX-LLVKDONJSA-N -1 1 376.442 0.782 20 0 GCADMM COc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC000821713464 606553616 /nfs/dbraw/zinc/55/36/16/606553616.db2.gz ZKKOFZFKPAKPNT-UHFFFAOYSA-N -1 1 386.441 0.998 20 0 GCADMM COc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC000821713464 606553618 /nfs/dbraw/zinc/55/36/18/606553618.db2.gz ZKKOFZFKPAKPNT-UHFFFAOYSA-N -1 1 386.441 0.998 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)n1 ZINC000822619594 606580190 /nfs/dbraw/zinc/58/01/90/606580190.db2.gz BAMFDLNJPQKWBH-LLVKDONJSA-N -1 1 389.807 0.992 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)n1 ZINC000822619594 606580192 /nfs/dbraw/zinc/58/01/92/606580192.db2.gz BAMFDLNJPQKWBH-LLVKDONJSA-N -1 1 389.807 0.992 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000823488649 606583116 /nfs/dbraw/zinc/58/31/16/606583116.db2.gz RBAGGDJTPRZWOC-UHFFFAOYSA-N -1 1 398.452 0.753 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000823488649 606583117 /nfs/dbraw/zinc/58/31/17/606583117.db2.gz RBAGGDJTPRZWOC-UHFFFAOYSA-N -1 1 398.452 0.753 20 0 GCADMM C[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000819884209 606583167 /nfs/dbraw/zinc/58/31/67/606583167.db2.gz UGXCMSCXOCRCRX-VIFPVBQESA-N -1 1 390.429 0.340 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCOC1 ZINC000822458193 606586074 /nfs/dbraw/zinc/58/60/74/606586074.db2.gz DDHAFDANXCJIEB-ZDUSSCGKSA-N -1 1 384.444 0.954 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCOC1 ZINC000822458193 606586075 /nfs/dbraw/zinc/58/60/75/606586075.db2.gz DDHAFDANXCJIEB-ZDUSSCGKSA-N -1 1 384.444 0.954 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820451558 606592111 /nfs/dbraw/zinc/59/21/11/606592111.db2.gz VVXTUMWWZDERFY-PKFCDNJMSA-N -1 1 383.412 0.629 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3c(F)ccc(F)c3C2)n(C)c1=O ZINC000822601199 606592499 /nfs/dbraw/zinc/59/24/99/606592499.db2.gz VHVHFYXRZRGTFV-UHFFFAOYSA-N -1 1 375.339 0.105 20 0 GCADMM CO[C@@H](C)c1nc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cs1 ZINC000821675782 606593448 /nfs/dbraw/zinc/59/34/48/606593448.db2.gz TUBAQCVWRCMHDU-ZETCQYMHSA-N -1 1 378.418 0.040 20 0 GCADMM COc1ccc(OC)c([C@H](O)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821842606 606595973 /nfs/dbraw/zinc/59/59/73/606595973.db2.gz TZFVLOAFZCCMAG-GFCCVEGCSA-N -1 1 388.388 0.473 20 0 GCADMM COc1ccc(OC)c([C@H](O)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821842606 606595975 /nfs/dbraw/zinc/59/59/75/606595975.db2.gz TZFVLOAFZCCMAG-GFCCVEGCSA-N -1 1 388.388 0.473 20 0 GCADMM Cc1noc(C2CCC(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)n1 ZINC000822527896 606610204 /nfs/dbraw/zinc/61/02/04/606610204.db2.gz JCSKVAMMWXTAKK-UHFFFAOYSA-N -1 1 387.404 0.094 20 0 GCADMM CC(C)S(=O)(=O)CCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000820183702 606617989 /nfs/dbraw/zinc/61/79/89/606617989.db2.gz JIIKTHRLXUFQJS-UHFFFAOYSA-N -1 1 395.489 0.677 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000819922771 606618188 /nfs/dbraw/zinc/61/81/88/606618188.db2.gz PDQARTDYHLMWEL-SNVBAGLBSA-N -1 1 380.430 0.614 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000819922771 606618190 /nfs/dbraw/zinc/61/81/90/606618190.db2.gz PDQARTDYHLMWEL-SNVBAGLBSA-N -1 1 380.430 0.614 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000822006194 606626092 /nfs/dbraw/zinc/62/60/92/606626092.db2.gz YONOAWQRUPVHFI-ZWNOBZJWSA-N -1 1 390.444 0.827 20 0 GCADMM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823155867 606626473 /nfs/dbraw/zinc/62/64/73/606626473.db2.gz ZBJCZSZQGMRTOP-UHFFFAOYSA-N -1 1 382.471 0.615 20 0 GCADMM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823155867 606626475 /nfs/dbraw/zinc/62/64/75/606626475.db2.gz ZBJCZSZQGMRTOP-UHFFFAOYSA-N -1 1 382.471 0.615 20 0 GCADMM O=C(CCN1C(=O)c2ccccc2C1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964231 606649795 /nfs/dbraw/zinc/64/97/95/606649795.db2.gz GOIVXKSUGPAEHT-UHFFFAOYSA-N -1 1 378.348 0.991 20 0 GCADMM O=C(CCN1C(=O)c2ccccc2C1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964231 606649796 /nfs/dbraw/zinc/64/97/96/606649796.db2.gz GOIVXKSUGPAEHT-UHFFFAOYSA-N -1 1 378.348 0.991 20 0 GCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000823436370 606650866 /nfs/dbraw/zinc/65/08/66/606650866.db2.gz RVXXYNYXDKTPGO-UHFFFAOYSA-N -1 1 393.363 0.671 20 0 GCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000823436370 606650867 /nfs/dbraw/zinc/65/08/67/606650867.db2.gz RVXXYNYXDKTPGO-UHFFFAOYSA-N -1 1 393.363 0.671 20 0 GCADMM Cc1cc(CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)[nH]n1 ZINC000822199793 606669620 /nfs/dbraw/zinc/66/96/20/606669620.db2.gz ICNWYFOAKOMSML-UHFFFAOYSA-N -1 1 383.416 0.655 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@H](O)C1CC1 ZINC000822458658 606690609 /nfs/dbraw/zinc/69/06/09/606690609.db2.gz HYENBCQVTGTGEO-HNNXBMFYSA-N -1 1 384.444 0.688 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@H](O)C1CC1 ZINC000822458658 606690610 /nfs/dbraw/zinc/69/06/10/606690610.db2.gz HYENBCQVTGTGEO-HNNXBMFYSA-N -1 1 384.444 0.688 20 0 GCADMM Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(Br)c1=O ZINC000822685269 606692426 /nfs/dbraw/zinc/69/24/26/606692426.db2.gz WIOZNMJBGOJFKW-UHFFFAOYSA-N -1 1 376.174 0.975 20 0 GCADMM Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(Br)c1=O ZINC000822685269 606692427 /nfs/dbraw/zinc/69/24/27/606692427.db2.gz WIOZNMJBGOJFKW-UHFFFAOYSA-N -1 1 376.174 0.975 20 0 GCADMM CC(=O)Nc1nc(CN(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000819827736 606699032 /nfs/dbraw/zinc/69/90/32/606699032.db2.gz WEBGHVBAEUNBDG-UHFFFAOYSA-N -1 1 376.450 0.652 20 0 GCADMM COc1ccc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(Cl)c1 ZINC000821790483 606721703 /nfs/dbraw/zinc/72/17/03/606721703.db2.gz OUSWGNRNRGISNJ-UHFFFAOYSA-N -1 1 391.819 0.581 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](Nc3ccccc3)C2)n(C)c1=O ZINC000822601120 606724594 /nfs/dbraw/zinc/72/45/94/606724594.db2.gz UFOSFTWPMGIRPD-ZDUSSCGKSA-N -1 1 382.428 0.345 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC(C)(C)Oc3ccccc32)n(C)c1=O ZINC000822601063 606726685 /nfs/dbraw/zinc/72/66/85/606726685.db2.gz SYSFXMWJUILENZ-NSHDSACASA-N -1 1 383.412 0.978 20 0 GCADMM O=S(=O)(N1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC000823566189 606730484 /nfs/dbraw/zinc/73/04/84/606730484.db2.gz AVOIPCDXLLQDAR-UHFFFAOYSA-N -1 1 377.352 0.988 20 0 GCADMM O=S(=O)(N1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC000823566189 606730485 /nfs/dbraw/zinc/73/04/85/606730485.db2.gz AVOIPCDXLLQDAR-UHFFFAOYSA-N -1 1 377.352 0.988 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc2nnc(C(F)F)n2n1 ZINC000821601481 606757085 /nfs/dbraw/zinc/75/70/85/606757085.db2.gz JOYZYZCCAZGXLT-UHFFFAOYSA-N -1 1 390.362 0.616 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc2nnc(C(F)F)n2n1 ZINC000821601481 606757087 /nfs/dbraw/zinc/75/70/87/606757087.db2.gz JOYZYZCCAZGXLT-UHFFFAOYSA-N -1 1 390.362 0.616 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccccn1 ZINC000820788262 606762553 /nfs/dbraw/zinc/76/25/53/606762553.db2.gz BUXKLFHKWWWIAL-ZDUSSCGKSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccccn1 ZINC000820788262 606762555 /nfs/dbraw/zinc/76/25/55/606762555.db2.gz BUXKLFHKWWWIAL-ZDUSSCGKSA-N -1 1 394.443 0.515 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC[C@@H]1CCCO1 ZINC000820788237 606764664 /nfs/dbraw/zinc/76/46/64/606764664.db2.gz BHMOKRVNMJIYTE-NEPJUHHUSA-N -1 1 389.489 0.221 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC[C@@H]1CCCO1 ZINC000820788237 606764665 /nfs/dbraw/zinc/76/46/65/606764665.db2.gz BHMOKRVNMJIYTE-NEPJUHHUSA-N -1 1 389.489 0.221 20 0 GCADMM CCOCCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821378631 606764767 /nfs/dbraw/zinc/76/47/67/606764767.db2.gz QOBSELDBVXAELG-LBPRGKRZSA-N -1 1 391.505 0.468 20 0 GCADMM CCOCCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821378631 606764769 /nfs/dbraw/zinc/76/47/69/606764769.db2.gz QOBSELDBVXAELG-LBPRGKRZSA-N -1 1 391.505 0.468 20 0 GCADMM CC(C)[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820038076 606769035 /nfs/dbraw/zinc/76/90/35/606769035.db2.gz KFFGMQFLJQIQSZ-KGLIPLIRSA-N -1 1 385.476 0.629 20 0 GCADMM CC(C)[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820038076 606769036 /nfs/dbraw/zinc/76/90/36/606769036.db2.gz KFFGMQFLJQIQSZ-KGLIPLIRSA-N -1 1 385.476 0.629 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC[S@](=O)c1ccccc1 ZINC000820788949 606777829 /nfs/dbraw/zinc/77/78/29/606777829.db2.gz RUEMNTVSLZYDRE-POXGOYDTSA-N -1 1 398.496 0.975 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cn2cccnc2n1 ZINC000820804594 606780744 /nfs/dbraw/zinc/78/07/44/606780744.db2.gz VOAMICZGOAMDBI-LBPRGKRZSA-N -1 1 377.416 0.410 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cn2cccnc2n1 ZINC000820804594 606780746 /nfs/dbraw/zinc/78/07/46/606780746.db2.gz VOAMICZGOAMDBI-LBPRGKRZSA-N -1 1 377.416 0.410 20 0 GCADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)on1 ZINC000822207473 606781119 /nfs/dbraw/zinc/78/11/19/606781119.db2.gz XTLGDPXCRWZZGQ-LLVKDONJSA-N -1 1 384.404 0.102 20 0 GCADMM Cc1cc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)on1 ZINC000822207473 606781120 /nfs/dbraw/zinc/78/11/20/606781120.db2.gz XTLGDPXCRWZZGQ-LLVKDONJSA-N -1 1 384.404 0.102 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nccn1C(F)F ZINC000820803564 606781944 /nfs/dbraw/zinc/78/19/44/606781944.db2.gz CFQKQFRLRZCBND-JTQLQIEISA-N -1 1 376.375 0.959 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nccn1C(F)F ZINC000820803564 606781946 /nfs/dbraw/zinc/78/19/46/606781946.db2.gz CFQKQFRLRZCBND-JTQLQIEISA-N -1 1 376.375 0.959 20 0 GCADMM CC1CCC(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000820690764 606782784 /nfs/dbraw/zinc/78/27/84/606782784.db2.gz RLSDIIQDJBLFPH-SLTAFYQDSA-N -1 1 399.503 0.862 20 0 GCADMM CC1CCC(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000820690764 606782785 /nfs/dbraw/zinc/78/27/85/606782785.db2.gz RLSDIIQDJBLFPH-SLTAFYQDSA-N -1 1 399.503 0.862 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NCCC(C)(C)C ZINC000820788490 606782787 /nfs/dbraw/zinc/78/27/87/606782787.db2.gz IFMRXDZNMJRYOM-ZDUSSCGKSA-N -1 1 387.492 0.720 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NCCC(C)(C)C ZINC000820788490 606782788 /nfs/dbraw/zinc/78/27/88/606782788.db2.gz IFMRXDZNMJRYOM-ZDUSSCGKSA-N -1 1 387.492 0.720 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N(C)C1CCCCC1 ZINC000820788458 606784317 /nfs/dbraw/zinc/78/43/17/606784317.db2.gz HPRVHTXRYXEYJC-CQSZACIVSA-N -1 1 399.503 0.958 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N(C)C1CCCCC1 ZINC000820788458 606784318 /nfs/dbraw/zinc/78/43/18/606784318.db2.gz HPRVHTXRYXEYJC-CQSZACIVSA-N -1 1 399.503 0.958 20 0 GCADMM CC(C)c1nnc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1C ZINC000820206661 606784557 /nfs/dbraw/zinc/78/45/57/606784557.db2.gz UQZFSGMXLGUANH-GFCCVEGCSA-N -1 1 383.464 0.619 20 0 GCADMM CC(C)c1nnc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1C ZINC000820206661 606784558 /nfs/dbraw/zinc/78/45/58/606784558.db2.gz UQZFSGMXLGUANH-GFCCVEGCSA-N -1 1 383.464 0.619 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccco1 ZINC000820788480 606785182 /nfs/dbraw/zinc/78/51/82/606785182.db2.gz HXYDYBFIRQEASU-LBPRGKRZSA-N -1 1 383.416 0.713 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccco1 ZINC000820788480 606785183 /nfs/dbraw/zinc/78/51/83/606785183.db2.gz HXYDYBFIRQEASU-LBPRGKRZSA-N -1 1 383.416 0.713 20 0 GCADMM Cc1nnc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1C1CC1 ZINC000822509878 606786011 /nfs/dbraw/zinc/78/60/11/606786011.db2.gz GBFUIKNPEUTTAD-NSHDSACASA-N -1 1 381.448 0.602 20 0 GCADMM Cc1nnc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1C1CC1 ZINC000822509878 606786013 /nfs/dbraw/zinc/78/60/13/606786013.db2.gz GBFUIKNPEUTTAD-NSHDSACASA-N -1 1 381.448 0.602 20 0 GCADMM Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822414647 606786255 /nfs/dbraw/zinc/78/62/55/606786255.db2.gz OIRFYUCGRXSOIX-JTQLQIEISA-N -1 1 397.447 0.146 20 0 GCADMM Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822414647 606786256 /nfs/dbraw/zinc/78/62/56/606786256.db2.gz OIRFYUCGRXSOIX-JTQLQIEISA-N -1 1 397.447 0.146 20 0 GCADMM Cc1nccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822471898 606787964 /nfs/dbraw/zinc/78/79/64/606787964.db2.gz MJWCVMOZHOANLT-LLVKDONJSA-N -1 1 395.431 0.175 20 0 GCADMM Cc1nccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822471898 606787966 /nfs/dbraw/zinc/78/79/66/606787966.db2.gz MJWCVMOZHOANLT-LLVKDONJSA-N -1 1 395.431 0.175 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[C@@H]1CCCO1 ZINC000820789274 606788480 /nfs/dbraw/zinc/78/84/80/606788480.db2.gz ZHROARVMQALOMK-STQMWFEESA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[C@@H]1CCCO1 ZINC000820789274 606788481 /nfs/dbraw/zinc/78/84/81/606788481.db2.gz ZHROARVMQALOMK-STQMWFEESA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820308193 606788503 /nfs/dbraw/zinc/78/85/03/606788503.db2.gz UCOBXLZYIZPADT-QWHCGFSZSA-N -1 1 397.447 0.162 20 0 GCADMM C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820308193 606788505 /nfs/dbraw/zinc/78/85/05/606788505.db2.gz UCOBXLZYIZPADT-QWHCGFSZSA-N -1 1 397.447 0.162 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1CCCOC1 ZINC000820788909 606788918 /nfs/dbraw/zinc/78/89/18/606788918.db2.gz RBYQYPNEGBYTJO-QWHCGFSZSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1CCCOC1 ZINC000820788909 606788919 /nfs/dbraw/zinc/78/89/19/606788919.db2.gz RBYQYPNEGBYTJO-QWHCGFSZSA-N -1 1 387.448 0.303 20 0 GCADMM Cc1cccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822304355 606789697 /nfs/dbraw/zinc/78/96/97/606789697.db2.gz UNYSFTQMTSCRPN-CYBMUJFWSA-N -1 1 394.443 0.780 20 0 GCADMM Cc1cccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822304355 606789698 /nfs/dbraw/zinc/78/96/98/606789698.db2.gz UNYSFTQMTSCRPN-CYBMUJFWSA-N -1 1 394.443 0.780 20 0 GCADMM CSC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821956591 606793013 /nfs/dbraw/zinc/79/30/13/606793013.db2.gz SDWKQMQHUJLOBE-GHMZBOCLSA-N -1 1 377.478 0.628 20 0 GCADMM CSC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821956591 606793014 /nfs/dbraw/zinc/79/30/14/606793014.db2.gz SDWKQMQHUJLOBE-GHMZBOCLSA-N -1 1 377.478 0.628 20 0 GCADMM CO[C@@H](C)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821673437 606793088 /nfs/dbraw/zinc/79/30/88/606793088.db2.gz AZUGXRKEXGYYCB-RYUDHWBXSA-N -1 1 375.437 0.302 20 0 GCADMM CO[C@@H](C)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821673437 606793089 /nfs/dbraw/zinc/79/30/89/606793089.db2.gz AZUGXRKEXGYYCB-RYUDHWBXSA-N -1 1 375.437 0.302 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cnn(C)c1 ZINC000820350737 606793408 /nfs/dbraw/zinc/79/34/08/606793408.db2.gz LLADQMRQCZILLF-RYUDHWBXSA-N -1 1 397.447 0.372 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cnn(C)c1 ZINC000820350737 606793410 /nfs/dbraw/zinc/79/34/10/606793410.db2.gz LLADQMRQCZILLF-RYUDHWBXSA-N -1 1 397.447 0.372 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)[C@H]1CCOC1 ZINC000820348656 606793658 /nfs/dbraw/zinc/79/36/58/606793658.db2.gz FNBHHMZDCOLBSO-AVGNSLFASA-N -1 1 387.448 0.302 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)[C@H]1CCOC1 ZINC000820348656 606793660 /nfs/dbraw/zinc/79/36/60/606793660.db2.gz FNBHHMZDCOLBSO-AVGNSLFASA-N -1 1 387.448 0.302 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccn(C)c1 ZINC000820788747 606793893 /nfs/dbraw/zinc/79/38/93/606793893.db2.gz NHIBVRQBFLHZNB-GFCCVEGCSA-N -1 1 382.432 0.416 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccn(C)c1 ZINC000820788747 606793894 /nfs/dbraw/zinc/79/38/94/606793894.db2.gz NHIBVRQBFLHZNB-GFCCVEGCSA-N -1 1 382.432 0.416 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1CCOCC1 ZINC000820788209 606794275 /nfs/dbraw/zinc/79/42/75/606794275.db2.gz ARRXXMUQRFHXMA-GFCCVEGCSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1CCOCC1 ZINC000820788209 606794277 /nfs/dbraw/zinc/79/42/77/606794277.db2.gz ARRXXMUQRFHXMA-GFCCVEGCSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1CCOCC1 ZINC000820788210 606794315 /nfs/dbraw/zinc/79/43/15/606794315.db2.gz ARRXXMUQRFHXMA-LBPRGKRZSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1CCOCC1 ZINC000820788210 606794317 /nfs/dbraw/zinc/79/43/17/606794317.db2.gz ARRXXMUQRFHXMA-LBPRGKRZSA-N -1 1 387.448 0.303 20 0 GCADMM CCc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)on1 ZINC000821471273 606794660 /nfs/dbraw/zinc/79/46/60/606794660.db2.gz YALMIKJNGRKGBE-NSHDSACASA-N -1 1 398.431 0.627 20 0 GCADMM CCc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)on1 ZINC000821471273 606794661 /nfs/dbraw/zinc/79/46/61/606794661.db2.gz YALMIKJNGRKGBE-NSHDSACASA-N -1 1 398.431 0.627 20 0 GCADMM CCc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)on1 ZINC000821471272 606795081 /nfs/dbraw/zinc/79/50/81/606795081.db2.gz YALMIKJNGRKGBE-LLVKDONJSA-N -1 1 398.431 0.627 20 0 GCADMM CCc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)on1 ZINC000821471272 606795084 /nfs/dbraw/zinc/79/50/84/606795084.db2.gz YALMIKJNGRKGBE-LLVKDONJSA-N -1 1 398.431 0.627 20 0 GCADMM Cc1noc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822520190 606796448 /nfs/dbraw/zinc/79/64/48/606796448.db2.gz SIERCYVJFNGJED-VHSXEESVSA-N -1 1 399.419 0.329 20 0 GCADMM Cc1noc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822520190 606796449 /nfs/dbraw/zinc/79/64/49/606796449.db2.gz SIERCYVJFNGJED-VHSXEESVSA-N -1 1 399.419 0.329 20 0 GCADMM COc1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000821897216 606817450 /nfs/dbraw/zinc/81/74/50/606817450.db2.gz GCKBDQRCWVNQMO-ZDUSSCGKSA-N -1 1 379.380 0.806 20 0 GCADMM COc1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000821897216 606817452 /nfs/dbraw/zinc/81/74/52/606817452.db2.gz GCKBDQRCWVNQMO-ZDUSSCGKSA-N -1 1 379.380 0.806 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820550559 606818003 /nfs/dbraw/zinc/81/80/03/606818003.db2.gz WSAXZSRDDRJUJK-OLZOCXBDSA-N -1 1 395.427 0.556 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820550559 606818005 /nfs/dbraw/zinc/81/80/05/606818005.db2.gz WSAXZSRDDRJUJK-OLZOCXBDSA-N -1 1 395.427 0.556 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CSC(F)(F)F ZINC000820778500 606818587 /nfs/dbraw/zinc/81/85/87/606818587.db2.gz XSUMKRYPEHNCED-QMMMGPOBSA-N -1 1 388.379 0.947 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CSC(F)(F)F ZINC000820778500 606818589 /nfs/dbraw/zinc/81/85/89/606818589.db2.gz XSUMKRYPEHNCED-QMMMGPOBSA-N -1 1 388.379 0.947 20 0 GCADMM COc1cccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821862446 606818781 /nfs/dbraw/zinc/81/87/81/606818781.db2.gz BKDTYAAGJKCGRT-ZDUSSCGKSA-N -1 1 394.439 0.945 20 0 GCADMM COc1cccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821862446 606818784 /nfs/dbraw/zinc/81/87/84/606818784.db2.gz BKDTYAAGJKCGRT-ZDUSSCGKSA-N -1 1 394.439 0.945 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1nccc(N)n1 ZINC000822458009 606819071 /nfs/dbraw/zinc/81/90/71/606819071.db2.gz BOXWVZNXFLUZHE-UHFFFAOYSA-N -1 1 393.415 0.147 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1nccc(N)n1 ZINC000822458009 606819073 /nfs/dbraw/zinc/81/90/73/606819073.db2.gz BOXWVZNXFLUZHE-UHFFFAOYSA-N -1 1 393.415 0.147 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccn1 ZINC000820774337 606819719 /nfs/dbraw/zinc/81/97/19/606819719.db2.gz AXQOQTKIBIPBBS-CYBMUJFWSA-N -1 1 379.428 0.722 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccn1 ZINC000820774337 606819721 /nfs/dbraw/zinc/81/97/21/606819721.db2.gz AXQOQTKIBIPBBS-CYBMUJFWSA-N -1 1 379.428 0.722 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)cn1C ZINC000820788332 606820362 /nfs/dbraw/zinc/82/03/62/606820362.db2.gz DNVSTPWGPPYSGK-SNVBAGLBSA-N -1 1 387.835 1.000 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC000820788332 606820364 /nfs/dbraw/zinc/82/03/64/606820364.db2.gz DNVSTPWGPPYSGK-SNVBAGLBSA-N -1 1 387.835 1.000 20 0 GCADMM COCc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000821695367 606820599 /nfs/dbraw/zinc/82/05/99/606820599.db2.gz VTOBLNCVISSOKR-SNVBAGLBSA-N -1 1 385.388 0.142 20 0 GCADMM COCc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000821695367 606820600 /nfs/dbraw/zinc/82/06/00/606820600.db2.gz VTOBLNCVISSOKR-SNVBAGLBSA-N -1 1 385.388 0.142 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccc(F)cc1 ZINC000820776706 606821105 /nfs/dbraw/zinc/82/11/05/606821105.db2.gz MSYFUCDYMFZLMA-LBPRGKRZSA-N -1 1 398.402 0.912 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccc(F)cc1 ZINC000820776706 606821106 /nfs/dbraw/zinc/82/11/06/606821106.db2.gz MSYFUCDYMFZLMA-LBPRGKRZSA-N -1 1 398.402 0.912 20 0 GCADMM CCOCCO[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821384154 606823879 /nfs/dbraw/zinc/82/38/79/606823879.db2.gz RLDHWWAQQCWPAV-CHWSQXEVSA-N -1 1 390.448 0.135 20 0 GCADMM CCOCCO[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821384154 606823881 /nfs/dbraw/zinc/82/38/81/606823881.db2.gz RLDHWWAQQCWPAV-CHWSQXEVSA-N -1 1 390.448 0.135 20 0 GCADMM CCOCCO[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821384155 606823939 /nfs/dbraw/zinc/82/39/39/606823939.db2.gz RLDHWWAQQCWPAV-OLZOCXBDSA-N -1 1 390.448 0.135 20 0 GCADMM CCOCCO[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821384155 606823941 /nfs/dbraw/zinc/82/39/41/606823941.db2.gz RLDHWWAQQCWPAV-OLZOCXBDSA-N -1 1 390.448 0.135 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccnc1 ZINC000819857671 606824260 /nfs/dbraw/zinc/82/42/60/606824260.db2.gz UBPWOVSVADNYGX-OLZOCXBDSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccnc1 ZINC000819857671 606824262 /nfs/dbraw/zinc/82/42/62/606824262.db2.gz UBPWOVSVADNYGX-OLZOCXBDSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccn1 ZINC000820775906 606824701 /nfs/dbraw/zinc/82/47/01/606824701.db2.gz JUZQKSXTLXETKX-CYBMUJFWSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccn1 ZINC000820775906 606824702 /nfs/dbraw/zinc/82/47/02/606824702.db2.gz JUZQKSXTLXETKX-CYBMUJFWSA-N -1 1 382.432 0.371 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccc(O)cc1 ZINC000820788285 606827453 /nfs/dbraw/zinc/82/74/53/606827453.db2.gz CCAZMKAWYDHUDX-GFCCVEGCSA-N -1 1 395.427 0.783 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccc(O)cc1 ZINC000820788285 606827455 /nfs/dbraw/zinc/82/74/55/606827455.db2.gz CCAZMKAWYDHUDX-GFCCVEGCSA-N -1 1 395.427 0.783 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CN(C)c1ccccc1 ZINC000820774411 606829307 /nfs/dbraw/zinc/82/93/07/606829307.db2.gz CHCQAVNMBCXPBS-AWEZNQCLSA-N -1 1 393.455 0.830 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CN(C)c1ccccc1 ZINC000820774411 606829309 /nfs/dbraw/zinc/82/93/09/606829309.db2.gz CHCQAVNMBCXPBS-AWEZNQCLSA-N -1 1 393.455 0.830 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2c1OCO2 ZINC000820789184 606829925 /nfs/dbraw/zinc/82/99/25/606829925.db2.gz XCVJIONBJJTYAB-NSHDSACASA-N -1 1 394.395 0.736 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2c1OCO2 ZINC000820789184 606829926 /nfs/dbraw/zinc/82/99/26/606829926.db2.gz XCVJIONBJJTYAB-NSHDSACASA-N -1 1 394.395 0.736 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)s1 ZINC000820788329 606829940 /nfs/dbraw/zinc/82/99/40/606829940.db2.gz DNQXUHIFDFXXNG-SECBINFHSA-N -1 1 399.440 0.168 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)s1 ZINC000820788329 606829941 /nfs/dbraw/zinc/82/99/41/606829941.db2.gz DNQXUHIFDFXXNG-SECBINFHSA-N -1 1 399.440 0.168 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000820789298 606831278 /nfs/dbraw/zinc/83/12/78/606831278.db2.gz ZZUTWGUYSVPABW-SNVBAGLBSA-N -1 1 391.399 0.279 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)/C=C\C1CCOCC1 ZINC000820777123 606831341 /nfs/dbraw/zinc/83/13/41/606831341.db2.gz PIUFZIKCMCUHBE-ZRMMWKCHSA-N -1 1 384.444 0.677 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)/C=C\C1CCOCC1 ZINC000820777123 606831342 /nfs/dbraw/zinc/83/13/42/606831342.db2.gz PIUFZIKCMCUHBE-ZRMMWKCHSA-N -1 1 384.444 0.677 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CC12CCOCC2 ZINC000820775945 606831369 /nfs/dbraw/zinc/83/13/69/606831369.db2.gz KKUPOESCPHTXBA-CHWSQXEVSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CC12CCOCC2 ZINC000820775945 606831370 /nfs/dbraw/zinc/83/13/70/606831370.db2.gz KKUPOESCPHTXBA-CHWSQXEVSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CSCCS1 ZINC000820776913 606831798 /nfs/dbraw/zinc/83/17/98/606831798.db2.gz NSLQGGQFUZPQLX-GHMZBOCLSA-N -1 1 392.514 0.542 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CSCCS1 ZINC000820776913 606831799 /nfs/dbraw/zinc/83/17/99/606831799.db2.gz NSLQGGQFUZPQLX-GHMZBOCLSA-N -1 1 392.514 0.542 20 0 GCADMM CCc1nnsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821554947 606832055 /nfs/dbraw/zinc/83/20/55/606832055.db2.gz VYUBEZVYZVLOPL-VIFPVBQESA-N -1 1 386.445 0.422 20 0 GCADMM CCc1nnsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821554947 606832056 /nfs/dbraw/zinc/83/20/56/606832056.db2.gz VYUBEZVYZVLOPL-VIFPVBQESA-N -1 1 386.445 0.422 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(c2ncccn2)CC1 ZINC000823605964 606841472 /nfs/dbraw/zinc/84/14/72/606841472.db2.gz DRUOFVXDODWBLO-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1)C1CC1 ZINC000823155639 606842762 /nfs/dbraw/zinc/84/27/62/606842762.db2.gz VOQVYQIJRSSKFB-UHFFFAOYSA-N -1 1 394.432 0.685 20 0 GCADMM O=C1NCCN1C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823546357 606842806 /nfs/dbraw/zinc/84/28/06/606842806.db2.gz BUMJTEGZTMXMBU-UHFFFAOYSA-N -1 1 395.420 0.184 20 0 GCADMM COCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@@H]1C ZINC000821691501 606843903 /nfs/dbraw/zinc/84/39/03/606843903.db2.gz WVKJSPOLTYHLQB-NSHDSACASA-N -1 1 384.437 0.347 20 0 GCADMM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821160368 606844082 /nfs/dbraw/zinc/84/40/82/606844082.db2.gz JSBSDAQBSZTYBV-VIFPVBQESA-N -1 1 391.450 0.450 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820206539 606854281 /nfs/dbraw/zinc/85/42/81/606854281.db2.gz PCRNSKDJAYNYFZ-LBPRGKRZSA-N -1 1 396.459 0.865 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820206539 606854283 /nfs/dbraw/zinc/85/42/83/606854283.db2.gz PCRNSKDJAYNYFZ-LBPRGKRZSA-N -1 1 396.459 0.865 20 0 GCADMM CC1=C(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C(=O)OC1(C)C ZINC000820633886 606854933 /nfs/dbraw/zinc/85/49/33/606854933.db2.gz FEGMQWKKNQJFTE-SNVBAGLBSA-N -1 1 398.427 0.346 20 0 GCADMM CC1=C(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C(=O)OC1(C)C ZINC000820633886 606854934 /nfs/dbraw/zinc/85/49/34/606854934.db2.gz FEGMQWKKNQJFTE-SNVBAGLBSA-N -1 1 398.427 0.346 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(O)cc1O ZINC000820789126 606855067 /nfs/dbraw/zinc/85/50/67/606855067.db2.gz VXIDLNZJLSLLBB-SNVBAGLBSA-N -1 1 382.384 0.419 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(O)cc1O ZINC000820789126 606855069 /nfs/dbraw/zinc/85/50/69/606855069.db2.gz VXIDLNZJLSLLBB-SNVBAGLBSA-N -1 1 382.384 0.419 20 0 GCADMM CCn1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1C ZINC000821566598 606855912 /nfs/dbraw/zinc/85/59/12/606855912.db2.gz LGFVIHQBTGBQLS-NSHDSACASA-N -1 1 396.459 0.841 20 0 GCADMM CCn1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1C ZINC000821566598 606855914 /nfs/dbraw/zinc/85/59/14/606855914.db2.gz LGFVIHQBTGBQLS-NSHDSACASA-N -1 1 396.459 0.841 20 0 GCADMM O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572744 606873753 /nfs/dbraw/zinc/87/37/53/606873753.db2.gz LOMJGJBRVAWDBT-DZGCQCFKSA-N -1 1 393.473 0.183 20 0 GCADMM O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572744 606873754 /nfs/dbraw/zinc/87/37/54/606873754.db2.gz LOMJGJBRVAWDBT-DZGCQCFKSA-N -1 1 393.473 0.183 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)c2cc3ccccc3s2)n(C)c1=O ZINC000822601242 606878268 /nfs/dbraw/zinc/87/82/68/606878268.db2.gz VUWRLMWZRYPRPZ-SNVBAGLBSA-N -1 1 399.436 0.624 20 0 GCADMM C[C@H](CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)CS(C)(=O)=O ZINC000820261718 606878830 /nfs/dbraw/zinc/87/88/30/606878830.db2.gz PARIBNCBTKMIQW-LLVKDONJSA-N -1 1 395.489 0.535 20 0 GCADMM CCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821292934 606938155 /nfs/dbraw/zinc/93/81/55/606938155.db2.gz HBUMYMCKKUDGAK-UHFFFAOYSA-N -1 1 387.425 0.490 20 0 GCADMM CCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821292934 606938157 /nfs/dbraw/zinc/93/81/57/606938157.db2.gz HBUMYMCKKUDGAK-UHFFFAOYSA-N -1 1 387.425 0.490 20 0 GCADMM CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC000821938237 606943304 /nfs/dbraw/zinc/94/33/04/606943304.db2.gz ZTNZVCNZMSDRBR-UHFFFAOYSA-N -1 1 386.393 0.704 20 0 GCADMM CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC000821938237 606943306 /nfs/dbraw/zinc/94/33/06/606943306.db2.gz ZTNZVCNZMSDRBR-UHFFFAOYSA-N -1 1 386.393 0.704 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000822610009 606955886 /nfs/dbraw/zinc/95/58/86/606955886.db2.gz YXPNKANNXQDPFD-CMPLNLGQSA-N -1 1 388.388 0.550 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000822610009 606955888 /nfs/dbraw/zinc/95/58/88/606955888.db2.gz YXPNKANNXQDPFD-CMPLNLGQSA-N -1 1 388.388 0.550 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000822610012 606956214 /nfs/dbraw/zinc/95/62/14/606956214.db2.gz YXPNKANNXQDPFD-ZYHUDNBSSA-N -1 1 388.388 0.550 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000822610012 606956216 /nfs/dbraw/zinc/95/62/16/606956216.db2.gz YXPNKANNXQDPFD-ZYHUDNBSSA-N -1 1 388.388 0.550 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000736593741 607005021 /nfs/dbraw/zinc/00/50/21/607005021.db2.gz JCNMITWHCZDIBM-SNVBAGLBSA-N -1 1 383.405 0.970 20 0 GCADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000736593741 607005023 /nfs/dbraw/zinc/00/50/23/607005023.db2.gz JCNMITWHCZDIBM-SNVBAGLBSA-N -1 1 383.405 0.970 20 0 GCADMM O=S(=O)(NCC[C@H]1COc2ccccc2O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572497 607006736 /nfs/dbraw/zinc/00/67/36/607006736.db2.gz IGSXDENMSQJGCI-NSHDSACASA-N -1 1 388.409 0.770 20 0 GCADMM O=S(=O)(NCC[C@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572497 607006738 /nfs/dbraw/zinc/00/67/38/607006738.db2.gz IGSXDENMSQJGCI-NSHDSACASA-N -1 1 388.409 0.770 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(c3nc4ccccc4s3)C2)n(C)c1=O ZINC000822600682 607019611 /nfs/dbraw/zinc/01/96/11/607019611.db2.gz PMTOOSXHFOMATF-UHFFFAOYSA-N -1 1 396.436 0.478 20 0 GCADMM CS(=O)(=O)N1CCc2cc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)ccc21 ZINC000821932805 607023794 /nfs/dbraw/zinc/02/37/94/607023794.db2.gz RQWGZMZFRYIFKF-UHFFFAOYSA-N -1 1 391.438 0.898 20 0 GCADMM CS(=O)(=O)N1CCc2cc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)ccc21 ZINC000821932805 607023796 /nfs/dbraw/zinc/02/37/96/607023796.db2.gz RQWGZMZFRYIFKF-UHFFFAOYSA-N -1 1 391.438 0.898 20 0 GCADMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820236061 607041287 /nfs/dbraw/zinc/04/12/87/607041287.db2.gz WNKNSSZQCQVLHK-SKDRFNHKSA-N -1 1 389.391 0.327 20 0 GCADMM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820994736 607063583 /nfs/dbraw/zinc/06/35/83/607063583.db2.gz KOVUOLRDVATQQA-ZYHUDNBSSA-N -1 1 379.446 0.052 20 0 GCADMM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820994736 607063585 /nfs/dbraw/zinc/06/35/85/607063585.db2.gz KOVUOLRDVATQQA-ZYHUDNBSSA-N -1 1 379.446 0.052 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(F)ccc2-c2nn[nH]n2)o1 ZINC000821637765 607077238 /nfs/dbraw/zinc/07/72/38/607077238.db2.gz SKABFRSWLYWRIH-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000822540417 607084895 /nfs/dbraw/zinc/08/48/95/607084895.db2.gz APXDEOQPCYDDMQ-LLVKDONJSA-N -1 1 390.425 0.866 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000822540417 607084897 /nfs/dbraw/zinc/08/48/97/607084897.db2.gz APXDEOQPCYDDMQ-LLVKDONJSA-N -1 1 390.425 0.866 20 0 GCADMM C[C@@H]1CO[C@@H](CO)CN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820804439 607103115 /nfs/dbraw/zinc/10/31/15/607103115.db2.gz SIZWHTFPFHAUTJ-TZMCWYRMSA-N -1 1 398.427 0.073 20 0 GCADMM C[C@@H]1CO[C@@H](CO)CN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820804439 607103117 /nfs/dbraw/zinc/10/31/17/607103117.db2.gz SIZWHTFPFHAUTJ-TZMCWYRMSA-N -1 1 398.427 0.073 20 0 GCADMM COCCS(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821694260 607106456 /nfs/dbraw/zinc/10/64/56/607106456.db2.gz FCXFOKRLTSVQSP-UHFFFAOYSA-N -1 1 394.438 0.996 20 0 GCADMM COCCS(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821694260 607106457 /nfs/dbraw/zinc/10/64/57/607106457.db2.gz FCXFOKRLTSVQSP-UHFFFAOYSA-N -1 1 394.438 0.996 20 0 GCADMM CS/C=C/C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000821956636 607120249 /nfs/dbraw/zinc/12/02/49/607120249.db2.gz UENFUNHHRTVIMW-FPYGCLRLSA-N -1 1 393.429 0.232 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](CCO)C1CC1 ZINC000822459838 607186334 /nfs/dbraw/zinc/18/63/34/607186334.db2.gz YINSKCTZDAWVLZ-OAHLLOKOSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](CCO)C1CC1 ZINC000822459838 607186335 /nfs/dbraw/zinc/18/63/35/607186335.db2.gz YINSKCTZDAWVLZ-OAHLLOKOSA-N -1 1 384.444 0.736 20 0 GCADMM CS[C@@H](CO)[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821948608 607187156 /nfs/dbraw/zinc/18/71/56/607187156.db2.gz CXFTWWGCMMYJOZ-PWSUYJOCSA-N -1 1 380.474 0.745 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1cncnc1N ZINC000822459836 607192796 /nfs/dbraw/zinc/19/27/96/607192796.db2.gz YHZAYHLUOFMGBP-UHFFFAOYSA-N -1 1 393.415 0.147 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1cncnc1N ZINC000822459836 607192797 /nfs/dbraw/zinc/19/27/97/607192797.db2.gz YHZAYHLUOFMGBP-UHFFFAOYSA-N -1 1 393.415 0.147 20 0 GCADMM CSCC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nnc2ccccn21 ZINC000821960657 607205618 /nfs/dbraw/zinc/20/56/18/607205618.db2.gz CGLVTKRCZMKTES-SNVBAGLBSA-N -1 1 399.444 0.112 20 0 GCADMM COc1cccc([C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2nccn2C)c1 ZINC000821864307 607205862 /nfs/dbraw/zinc/20/58/62/607205862.db2.gz WMTNSXDJNWRJAE-CQSZACIVSA-N -1 1 394.399 0.106 20 0 GCADMM COc1ccc(C(=O)C2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000821770445 607205927 /nfs/dbraw/zinc/20/59/27/607205927.db2.gz UEZBSTLPJOTTHE-UHFFFAOYSA-N -1 1 396.411 0.588 20 0 GCADMM Cn1ccnc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC000822693416 607205963 /nfs/dbraw/zinc/20/59/63/607205963.db2.gz CROJCIBJWFOJND-CYBMUJFWSA-N -1 1 382.363 0.237 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000823131534 607205993 /nfs/dbraw/zinc/20/59/93/607205993.db2.gz ISIPAJRESJDTTI-UHFFFAOYSA-N -1 1 390.791 0.589 20 0 GCADMM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822885342 607206549 /nfs/dbraw/zinc/20/65/49/607206549.db2.gz LGANXLBSDFNTDF-UHFFFAOYSA-N -1 1 396.415 0.186 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccnc1OCC(F)(F)F ZINC000823132011 607207640 /nfs/dbraw/zinc/20/76/40/607207640.db2.gz VGYQYILGOGFSHW-UHFFFAOYSA-N -1 1 383.294 0.111 20 0 GCADMM CC1CCN(C(=O)c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)CC1 ZINC000820715464 607209312 /nfs/dbraw/zinc/20/93/12/607209312.db2.gz BDEAHQBYXICJLA-UHFFFAOYSA-N -1 1 395.427 0.969 20 0 GCADMM Cc1oncc1C(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822552652 607209874 /nfs/dbraw/zinc/20/98/74/607209874.db2.gz DOGPBXCTHSOOBU-UHFFFAOYSA-N -1 1 394.355 0.646 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000823131907 607210965 /nfs/dbraw/zinc/21/09/65/607210965.db2.gz QBPRVKYRWNOFRA-UHFFFAOYSA-N -1 1 395.427 0.652 20 0 GCADMM CCOC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000821325866 607211402 /nfs/dbraw/zinc/21/14/02/607211402.db2.gz PQBNZAJJGLRQIS-GFCCVEGCSA-N -1 1 388.363 0.408 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000823127199 607211695 /nfs/dbraw/zinc/21/16/95/607211695.db2.gz WKWXFAQUQDXDLC-NSHDSACASA-N -1 1 387.835 0.754 20 0 GCADMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821638954 607212179 /nfs/dbraw/zinc/21/21/79/607212179.db2.gz LXMQAMVRZUWEDW-GFCCVEGCSA-N -1 1 384.400 0.296 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819933048 607212467 /nfs/dbraw/zinc/21/24/67/607212467.db2.gz DEMWTZOKDMTMOG-NSHDSACASA-N -1 1 391.436 0.222 20 0 GCADMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821571957 607212530 /nfs/dbraw/zinc/21/25/30/607212530.db2.gz MKMURDQPBLONEG-NSHDSACASA-N -1 1 391.436 0.316 20 0 GCADMM Cc1ccc(-c2nc(CCNC(=O)Cn3cnc(-c4nn[n-]n4)n3)co2)cc1 ZINC000822213888 607212673 /nfs/dbraw/zinc/21/26/73/607212673.db2.gz FRMCZVCNGHWTJF-UHFFFAOYSA-N -1 1 379.384 0.781 20 0 GCADMM COc1ccc(CC2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000821790898 607212736 /nfs/dbraw/zinc/21/27/36/607212736.db2.gz WFWZQDJSKGAHPT-UHFFFAOYSA-N -1 1 382.428 0.948 20 0 GCADMM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822361948 607212809 /nfs/dbraw/zinc/21/28/09/607212809.db2.gz LJCIQOGJNIBEGZ-LBPRGKRZSA-N -1 1 399.440 0.307 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCc1nc(-c2ccncc2)cs1 ZINC000823131265 607213837 /nfs/dbraw/zinc/21/38/37/607213837.db2.gz DWCZKIAAZQOUFH-UHFFFAOYSA-N -1 1 396.440 0.726 20 0 GCADMM CC(C)N(CCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000820116595 607214111 /nfs/dbraw/zinc/21/41/11/607214111.db2.gz KMSOEQJTHBAFFW-UHFFFAOYSA-N -1 1 393.452 0.610 20 0 GCADMM COc1cccc([C@H](C)N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000821859500 607214459 /nfs/dbraw/zinc/21/44/59/607214459.db2.gz PAAVYRAJLWIGCG-ZDUSSCGKSA-N -1 1 397.443 0.372 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1ccccc1C(F)(F)F ZINC000823131984 607215716 /nfs/dbraw/zinc/21/57/16/607215716.db2.gz UBDZWAGJHSDHMB-UHFFFAOYSA-N -1 1 382.306 0.672 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000823127298 607216182 /nfs/dbraw/zinc/21/61/82/607216182.db2.gz ZFLHRWMZOYDRJU-JTQLQIEISA-N -1 1 387.791 0.033 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000823127299 607216353 /nfs/dbraw/zinc/21/63/53/607216353.db2.gz ZFLHRWMZOYDRJU-SNVBAGLBSA-N -1 1 387.791 0.033 20 0 GCADMM CC(=O)N(Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1)C(C)C ZINC000819789177 607217243 /nfs/dbraw/zinc/21/72/43/607217243.db2.gz KAXKITDNVUDHSC-UHFFFAOYSA-N -1 1 383.416 0.854 20 0 GCADMM CC(C)OC(=O)NCc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820142729 607217374 /nfs/dbraw/zinc/21/73/74/607217374.db2.gz SUNGCGDGBGNZPB-UHFFFAOYSA-N -1 1 385.388 0.732 20 0 GCADMM CCNC(=O)N1CCc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc21 ZINC000821286330 607218702 /nfs/dbraw/zinc/21/87/02/607218702.db2.gz PZLJTJSVBQPGOD-UHFFFAOYSA-N -1 1 382.388 0.189 20 0 GCADMM Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000822241510 607219722 /nfs/dbraw/zinc/21/97/22/607219722.db2.gz YFBAPFDMEDAZJQ-ZDUSSCGKSA-N -1 1 381.400 0.078 20 0 GCADMM COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC000821657104 607221028 /nfs/dbraw/zinc/22/10/28/607221028.db2.gz HURJPRZBTZHLFW-NSHDSACASA-N -1 1 390.791 0.532 20 0 GCADMM O=C(C[C@@H]1COCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccs1 ZINC000822946076 607222289 /nfs/dbraw/zinc/22/22/89/607222289.db2.gz UOXVKYJNPFBZPJ-SNVBAGLBSA-N -1 1 388.413 0.020 20 0 GCADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC[C@@H]2CCCO2)c1 ZINC000822237353 607223238 /nfs/dbraw/zinc/22/32/38/607223238.db2.gz QBFGUWQMXKJGKU-AWEZNQCLSA-N -1 1 398.427 0.641 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1ccccc1OC(F)(F)F ZINC000823131421 607223384 /nfs/dbraw/zinc/22/33/84/607223384.db2.gz HAOHYVHOSWOAAY-UHFFFAOYSA-N -1 1 382.306 0.716 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccn(Cc2ccccc2)c1=O ZINC000823136133 607223415 /nfs/dbraw/zinc/22/34/15/607223415.db2.gz LKDXXZDFZFOMCZ-UHFFFAOYSA-N -1 1 377.368 0.307 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572866 607230910 /nfs/dbraw/zinc/23/09/10/607230910.db2.gz OCMJKBNAWVMAMI-IINYFYTJSA-N -1 1 382.471 0.595 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572866 607230911 /nfs/dbraw/zinc/23/09/11/607230911.db2.gz OCMJKBNAWVMAMI-IINYFYTJSA-N -1 1 382.471 0.595 20 0 GCADMM O=S(=O)(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573527 607230974 /nfs/dbraw/zinc/23/09/74/607230974.db2.gz VZZBMIOPOZXRHX-NSHDSACASA-N -1 1 380.430 0.268 20 0 GCADMM O=S(=O)(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573527 607230975 /nfs/dbraw/zinc/23/09/75/607230975.db2.gz VZZBMIOPOZXRHX-NSHDSACASA-N -1 1 380.430 0.268 20 0 GCADMM COc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccco1 ZINC000821882944 607251418 /nfs/dbraw/zinc/25/14/18/607251418.db2.gz OABLCJQZGYGTCP-OAHLLOKOSA-N -1 1 380.368 0.966 20 0 GCADMM Cc1nnccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826338506 607805039 /nfs/dbraw/zinc/80/50/39/607805039.db2.gz XXDYIJAZJGWCJH-UHFFFAOYSA-N -1 1 381.400 0.793 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000825000013 607807461 /nfs/dbraw/zinc/80/74/61/607807461.db2.gz MRDSWYAOVUQHDX-AVGNSLFASA-N -1 1 387.448 0.180 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000825000013 607807462 /nfs/dbraw/zinc/80/74/62/607807462.db2.gz MRDSWYAOVUQHDX-AVGNSLFASA-N -1 1 387.448 0.180 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(Cn2ccnn2)CC1 ZINC000826495668 607812430 /nfs/dbraw/zinc/81/24/30/607812430.db2.gz WKPFNDFNLPDLHD-UHFFFAOYSA-N -1 1 392.420 0.698 20 0 GCADMM O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487066 607818791 /nfs/dbraw/zinc/81/87/91/607818791.db2.gz BYPQYJWUHSGXNF-WFASDCNBSA-N -1 1 390.425 0.025 20 0 GCADMM O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487066 607818792 /nfs/dbraw/zinc/81/87/92/607818792.db2.gz BYPQYJWUHSGXNF-WFASDCNBSA-N -1 1 390.425 0.025 20 0 GCADMM NC(=O)COc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826391299 607818878 /nfs/dbraw/zinc/81/88/78/607818878.db2.gz FCYGXDMJRUJZTI-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM NC(=O)COc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826391299 607818879 /nfs/dbraw/zinc/81/88/79/607818879.db2.gz FCYGXDMJRUJZTI-UHFFFAOYSA-N -1 1 393.356 0.638 20 0 GCADMM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825937378 607824317 /nfs/dbraw/zinc/82/43/17/607824317.db2.gz BMOSOCGJFICTKY-UHFFFAOYSA-N -1 1 377.364 0.630 20 0 GCADMM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825937378 607824318 /nfs/dbraw/zinc/82/43/18/607824318.db2.gz BMOSOCGJFICTKY-UHFFFAOYSA-N -1 1 377.364 0.630 20 0 GCADMM COc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)ncn1 ZINC000826180543 607830647 /nfs/dbraw/zinc/83/06/47/607830647.db2.gz MBANYVMVRIIGJW-UHFFFAOYSA-N -1 1 394.399 0.896 20 0 GCADMM COc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)ncn1 ZINC000826180543 607830648 /nfs/dbraw/zinc/83/06/48/607830648.db2.gz MBANYVMVRIIGJW-UHFFFAOYSA-N -1 1 394.399 0.896 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@H]3CCO[C@H]3C)CC2)o1 ZINC000826322833 607845733 /nfs/dbraw/zinc/84/57/33/607845733.db2.gz DDERPSQLDYKKAU-JQWIXIFHSA-N -1 1 393.473 0.722 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)[C@@H]2C1 ZINC000826145916 607853010 /nfs/dbraw/zinc/85/30/10/607853010.db2.gz NQLYYHQGAAWWMK-RAIGVLPGSA-N -1 1 397.432 0.963 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)[C@@H]2C1 ZINC000826145916 607853011 /nfs/dbraw/zinc/85/30/11/607853011.db2.gz NQLYYHQGAAWWMK-RAIGVLPGSA-N -1 1 397.432 0.963 20 0 GCADMM CCCCn1c2nc(Cn3ccnc3-c3nnn[n-]3)n(CC)c2c(=O)[nH]c1=O ZINC000825296320 607868436 /nfs/dbraw/zinc/86/84/36/607868436.db2.gz DLAVLRGPIAGHLN-UHFFFAOYSA-N -1 1 384.404 0.544 20 0 GCADMM CCCCn1c2nc(Cn3ccnc3-c3nn[n-]n3)n(CC)c2c(=O)[nH]c1=O ZINC000825296320 607868437 /nfs/dbraw/zinc/86/84/37/607868437.db2.gz DLAVLRGPIAGHLN-UHFFFAOYSA-N -1 1 384.404 0.544 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(F)ccc2-c2nn[nH]n2)co1 ZINC000826090702 607919138 /nfs/dbraw/zinc/91/91/38/607919138.db2.gz LLEQJSYEGPAIJH-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCOc2cccc(-c3nn[nH]n3)c2)co1 ZINC000826090295 607919218 /nfs/dbraw/zinc/91/92/18/607919218.db2.gz FUVOJVFVINWDDA-UHFFFAOYSA-N -1 1 393.381 0.604 20 0 GCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(OC)c(-c3nn[nH]n3)c2)co1 ZINC000826090603 607919337 /nfs/dbraw/zinc/91/93/37/607919337.db2.gz JRGRPIFHOGRKSJ-UHFFFAOYSA-N -1 1 393.381 0.733 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ncn1 ZINC000826266772 607940143 /nfs/dbraw/zinc/94/01/43/607940143.db2.gz ATRPPIPSDLEGMO-GFCCVEGCSA-N -1 1 395.431 0.175 20 0 GCADMM Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ncn1 ZINC000826266772 607940144 /nfs/dbraw/zinc/94/01/44/607940144.db2.gz ATRPPIPSDLEGMO-GFCCVEGCSA-N -1 1 395.431 0.175 20 0 GCADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000823968226 607966951 /nfs/dbraw/zinc/96/69/51/607966951.db2.gz XQMUQHGITAVUNK-LBPRGKRZSA-N -1 1 398.431 0.791 20 0 GCADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000823968226 607966952 /nfs/dbraw/zinc/96/69/52/607966952.db2.gz XQMUQHGITAVUNK-LBPRGKRZSA-N -1 1 398.431 0.791 20 0 GCADMM COc1ccc(C[C@@H](C)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000826191240 607968262 /nfs/dbraw/zinc/96/82/62/607968262.db2.gz APIPSCBNUVNOCT-LLVKDONJSA-N -1 1 385.428 0.563 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3c4ccccc4[nH]c3C2)n(C)c1=O ZINC000826355737 607968873 /nfs/dbraw/zinc/96/88/73/607968873.db2.gz LHPFDYRPZDNLII-UHFFFAOYSA-N -1 1 378.396 0.308 20 0 GCADMM O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489031 607971624 /nfs/dbraw/zinc/97/16/24/607971624.db2.gz GFXHKHTXGBYAPS-HIFRSBDPSA-N -1 1 375.385 0.942 20 0 GCADMM C[C@H](Oc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1)C(N)=O ZINC000824745374 607973950 /nfs/dbraw/zinc/97/39/50/607973950.db2.gz RFVWAIOTIIJMTK-VIFPVBQESA-N -1 1 390.381 0.282 20 0 GCADMM C[C@H](Oc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1)C(N)=O ZINC000824745374 607973951 /nfs/dbraw/zinc/97/39/51/607973951.db2.gz RFVWAIOTIIJMTK-VIFPVBQESA-N -1 1 390.381 0.282 20 0 GCADMM COC(=O)C1(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC000826123469 607975625 /nfs/dbraw/zinc/97/56/25/607975625.db2.gz DLROBOPIXLHVDU-UHFFFAOYSA-N -1 1 380.430 0.758 20 0 GCADMM COC(=O)C1(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC000826123469 607975626 /nfs/dbraw/zinc/97/56/26/607975626.db2.gz DLROBOPIXLHVDU-UHFFFAOYSA-N -1 1 380.430 0.758 20 0 GCADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825923088 607989750 /nfs/dbraw/zinc/98/97/50/607989750.db2.gz BNLFZLOJZKXALD-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923088 607989751 /nfs/dbraw/zinc/98/97/51/607989751.db2.gz BNLFZLOJZKXALD-UHFFFAOYSA-N -1 1 389.441 0.966 20 0 GCADMM C[C@H](CO)CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824436839 607994560 /nfs/dbraw/zinc/99/45/60/607994560.db2.gz WCHPDNFMGDQTQN-QWHCGFSZSA-N -1 1 389.464 0.285 20 0 GCADMM C[C@H](CO)CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824436839 607994561 /nfs/dbraw/zinc/99/45/61/607994561.db2.gz WCHPDNFMGDQTQN-QWHCGFSZSA-N -1 1 389.464 0.285 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824103847 607997731 /nfs/dbraw/zinc/99/77/31/607997731.db2.gz JYRVJVGHWPINHK-PWSUYJOCSA-N -1 1 390.400 0.881 20 0 GCADMM O=S(=O)(NC[C@]1(CCO)CCOC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490177 608000991 /nfs/dbraw/zinc/00/09/91/608000991.db2.gz LXTJEOVPUPUACS-AWEZNQCLSA-N -1 1 387.849 0.588 20 0 GCADMM O=S(=O)(NC[C@]1(CCO)CCOC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490177 608000992 /nfs/dbraw/zinc/00/09/92/608000992.db2.gz LXTJEOVPUPUACS-AWEZNQCLSA-N -1 1 387.849 0.588 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826495395 608001368 /nfs/dbraw/zinc/00/13/68/608001368.db2.gz OEVVDZCLEOZNFM-LLVKDONJSA-N -1 1 398.876 0.615 20 0 GCADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826495395 608001369 /nfs/dbraw/zinc/00/13/69/608001369.db2.gz OEVVDZCLEOZNFM-LLVKDONJSA-N -1 1 398.876 0.615 20 0 GCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826424981 608013719 /nfs/dbraw/zinc/01/37/19/608013719.db2.gz LGOHFSWHUGCVBS-GFCCVEGCSA-N -1 1 379.446 0.022 20 0 GCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826424981 608013720 /nfs/dbraw/zinc/01/37/20/608013720.db2.gz LGOHFSWHUGCVBS-GFCCVEGCSA-N -1 1 379.446 0.022 20 0 GCADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C[C@@H]1O ZINC000825202461 608039685 /nfs/dbraw/zinc/03/96/85/608039685.db2.gz KNEAFIWUKBOOFM-DOMZBBRYSA-N -1 1 384.444 0.688 20 0 GCADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C[C@@H]1O ZINC000825202461 608039686 /nfs/dbraw/zinc/03/96/86/608039686.db2.gz KNEAFIWUKBOOFM-DOMZBBRYSA-N -1 1 384.444 0.688 20 0 GCADMM O=C(CN1CCOC[C@H]1CCO)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826411316 608088037 /nfs/dbraw/zinc/08/80/37/608088037.db2.gz UMHMXOZLDGFIBR-CQSZACIVSA-N -1 1 398.427 0.074 20 0 GCADMM O=C(CN1CCOC[C@H]1CCO)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826411316 608088038 /nfs/dbraw/zinc/08/80/38/608088038.db2.gz UMHMXOZLDGFIBR-CQSZACIVSA-N -1 1 398.427 0.074 20 0 GCADMM Cc1cc(-c2noc(Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)n2)ccc1F ZINC000826256779 608096387 /nfs/dbraw/zinc/09/63/87/608096387.db2.gz ZZHJCCUZOGNXPM-UHFFFAOYSA-N -1 1 384.331 0.273 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(-c3ccc(F)c(F)c3)no2)c1=O ZINC000826356772 608096564 /nfs/dbraw/zinc/09/65/64/608096564.db2.gz FGLLNHGDSYMDFH-UHFFFAOYSA-N -1 1 388.294 0.104 20 0 GCADMM CCc1nnc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)[nH]1 ZINC000825740625 608108907 /nfs/dbraw/zinc/10/89/07/608108907.db2.gz WJPGDJWQFCVJHX-LURJTMIESA-N -1 1 375.418 0.861 20 0 GCADMM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CCN12 ZINC000826483320 608111948 /nfs/dbraw/zinc/11/19/48/608111948.db2.gz JMGKKKSONLPSRY-SECBINFHSA-N -1 1 382.377 0.221 20 0 GCADMM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CN1 ZINC000826478699 608111954 /nfs/dbraw/zinc/11/19/54/608111954.db2.gz IBMKJRXPUDRWKP-ZYHUDNBSSA-N -1 1 394.432 0.685 20 0 GCADMM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CN1 ZINC000826478699 608111955 /nfs/dbraw/zinc/11/19/55/608111955.db2.gz IBMKJRXPUDRWKP-ZYHUDNBSSA-N -1 1 394.432 0.685 20 0 GCADMM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)CCN12 ZINC000826483182 608112008 /nfs/dbraw/zinc/11/20/08/608112008.db2.gz DLXRMUUIEKVJIT-SNVBAGLBSA-N -1 1 398.832 0.735 20 0 GCADMM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CN1 ZINC000826478697 608112016 /nfs/dbraw/zinc/11/20/16/608112016.db2.gz IBMKJRXPUDRWKP-JQWIXIFHSA-N -1 1 394.432 0.685 20 0 GCADMM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CN1 ZINC000826478697 608112017 /nfs/dbraw/zinc/11/20/17/608112017.db2.gz IBMKJRXPUDRWKP-JQWIXIFHSA-N -1 1 394.432 0.685 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC[C@H]2CCOC2)n1 ZINC000824147235 608145561 /nfs/dbraw/zinc/14/55/61/608145561.db2.gz AXQTWWVEMOQKST-JTQLQIEISA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC[C@H]2CCOC2)n1 ZINC000824147235 608145562 /nfs/dbraw/zinc/14/55/62/608145562.db2.gz AXQTWWVEMOQKST-JTQLQIEISA-N -1 1 376.421 0.300 20 0 GCADMM CN1C(=O)CC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826010283 608146360 /nfs/dbraw/zinc/14/63/60/608146360.db2.gz GZAWQHGNINLAPI-NSHDSACASA-N -1 1 386.416 0.002 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825759670 608148171 /nfs/dbraw/zinc/14/81/71/608148171.db2.gz MWDVSBWRZRNDAJ-UHFFFAOYSA-N -1 1 397.443 0.990 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488841 608159495 /nfs/dbraw/zinc/15/94/95/608159495.db2.gz AFANLUGJBRAATQ-ABAIWWIYSA-N -1 1 383.405 0.622 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489411 608159564 /nfs/dbraw/zinc/15/95/64/608159564.db2.gz OUDPJPSCHLFJIV-MEBBXXQBSA-N -1 1 383.405 0.622 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489411 608159565 /nfs/dbraw/zinc/15/95/65/608159565.db2.gz OUDPJPSCHLFJIV-MEBBXXQBSA-N -1 1 383.405 0.622 20 0 GCADMM Cc1oc(NC(=O)CN2CCN3C(=O)OCC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341308 608169505 /nfs/dbraw/zinc/16/95/05/608169505.db2.gz COTBJKSIHAZJCY-NSHDSACASA-N -1 1 375.389 0.542 20 0 GCADMM CS(=O)(=O)NC[C@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826223252 608176243 /nfs/dbraw/zinc/17/62/43/608176243.db2.gz GQVXPQPSTWSPLQ-SSDOTTSWSA-N -1 1 377.883 0.885 20 0 GCADMM CS(=O)(=O)NC[C@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826223252 608176245 /nfs/dbraw/zinc/17/62/45/608176245.db2.gz GQVXPQPSTWSPLQ-SSDOTTSWSA-N -1 1 377.883 0.885 20 0 GCADMM NC(=O)CNC(=O)c1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826391306 608185141 /nfs/dbraw/zinc/18/51/41/608185141.db2.gz FPQMNFOZJAIDIG-UHFFFAOYSA-N -1 1 379.789 0.984 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000826328293 608187808 /nfs/dbraw/zinc/18/78/08/608187808.db2.gz MKZAYEIOIUNSCF-LLVKDONJSA-N -1 1 384.400 0.233 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000826328293 608187809 /nfs/dbraw/zinc/18/78/09/608187809.db2.gz MKZAYEIOIUNSCF-LLVKDONJSA-N -1 1 384.400 0.233 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](OC(C)=O)C2)cc1-c1nn[n-]n1 ZINC000826229676 608200004 /nfs/dbraw/zinc/20/00/04/608200004.db2.gz MWGLENQKZMKOFK-VIFPVBQESA-N -1 1 378.414 0.857 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H](O)c1ccccc1 ZINC000820774526 608201984 /nfs/dbraw/zinc/20/19/84/608201984.db2.gz FFEOTRVQUZLHJK-WFASDCNBSA-N -1 1 380.412 0.427 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H](O)c1ccccc1 ZINC000820774526 608201986 /nfs/dbraw/zinc/20/19/86/608201986.db2.gz FFEOTRVQUZLHJK-WFASDCNBSA-N -1 1 380.412 0.427 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCCNC(=O)C(C)C)cc1-c1nn[n-]n1 ZINC000826230004 608205824 /nfs/dbraw/zinc/20/58/24/608205824.db2.gz ZPANMKGDGSQYIF-UHFFFAOYSA-N -1 1 379.446 0.581 20 0 GCADMM CN1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028732 608206642 /nfs/dbraw/zinc/20/66/42/608206642.db2.gz GZMPKPMGYDRZIL-GXTWGEPZSA-N -1 1 389.370 0.298 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CN1CCc2ccccc21 ZINC000825930014 608211570 /nfs/dbraw/zinc/21/15/70/608211570.db2.gz OBGGQNPPOJUXSP-UHFFFAOYSA-N -1 1 381.444 0.626 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CN1CCc2ccccc21 ZINC000825930014 608211572 /nfs/dbraw/zinc/21/15/72/608211572.db2.gz OBGGQNPPOJUXSP-UHFFFAOYSA-N -1 1 381.444 0.626 20 0 GCADMM COCc1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000826165503 608211746 /nfs/dbraw/zinc/21/17/46/608211746.db2.gz YBWCWHRREAHISP-UHFFFAOYSA-N -1 1 377.434 0.480 20 0 GCADMM COCc1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000826165503 608211747 /nfs/dbraw/zinc/21/17/47/608211747.db2.gz YBWCWHRREAHISP-UHFFFAOYSA-N -1 1 377.434 0.480 20 0 GCADMM CCCC(=O)N1CCC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825220028 608212615 /nfs/dbraw/zinc/21/26/15/608212615.db2.gz ORVSMFMJQFVABN-LBPRGKRZSA-N -1 1 389.464 0.354 20 0 GCADMM CCCC(=O)N1CCC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825220028 608212617 /nfs/dbraw/zinc/21/26/17/608212617.db2.gz ORVSMFMJQFVABN-LBPRGKRZSA-N -1 1 389.464 0.354 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSCc1ccccn1 ZINC000825929209 608212746 /nfs/dbraw/zinc/21/27/46/608212746.db2.gz CSBVJFNCZGGIAW-UHFFFAOYSA-N -1 1 387.473 0.891 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSCc1ccccn1 ZINC000825929209 608212748 /nfs/dbraw/zinc/21/27/48/608212748.db2.gz CSBVJFNCZGGIAW-UHFFFAOYSA-N -1 1 387.473 0.891 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(-n2cccn2)ccn1 ZINC000825935181 608213545 /nfs/dbraw/zinc/21/35/45/608213545.db2.gz WJBNFVBZKSUXSO-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-n2cccn2)ccn1 ZINC000825935181 608213547 /nfs/dbraw/zinc/21/35/47/608213547.db2.gz WJBNFVBZKSUXSO-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCOC[C@H]1C1CC1 ZINC000826424360 608231232 /nfs/dbraw/zinc/23/12/32/608231232.db2.gz IXOZPBNUYZQQJZ-INIZCTEOSA-N -1 1 380.408 0.819 20 0 GCADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825148820 608238430 /nfs/dbraw/zinc/23/84/30/608238430.db2.gz UNORURJKBRFRND-OIBJUYFYSA-N -1 1 383.327 0.986 20 0 GCADMM CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825148820 608238432 /nfs/dbraw/zinc/23/84/32/608238432.db2.gz UNORURJKBRFRND-OIBJUYFYSA-N -1 1 383.327 0.986 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccccc2)[C@@H]2CCOC2)n(C)c1=O ZINC000826355610 608238591 /nfs/dbraw/zinc/23/85/91/608238591.db2.gz HHGLQYBRBKLRQJ-TZMCWYRMSA-N -1 1 383.412 0.454 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1CC(F)F ZINC000825209546 608240795 /nfs/dbraw/zinc/24/07/95/608240795.db2.gz AHFDSBVVVIUWNS-SNVBAGLBSA-N -1 1 387.416 0.612 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1CC(F)F ZINC000825209546 608240797 /nfs/dbraw/zinc/24/07/97/608240797.db2.gz AHFDSBVVVIUWNS-SNVBAGLBSA-N -1 1 387.416 0.612 20 0 GCADMM O=C1CC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)CCN12 ZINC000826479661 608242080 /nfs/dbraw/zinc/24/20/80/608242080.db2.gz FBSDEUWJNCNBGF-VIFPVBQESA-N -1 1 382.833 0.515 20 0 GCADMM O=C1CC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)CCN12 ZINC000826479661 608242081 /nfs/dbraw/zinc/24/20/81/608242081.db2.gz FBSDEUWJNCNBGF-VIFPVBQESA-N -1 1 382.833 0.515 20 0 GCADMM O=S(=O)(CC1CCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826484839 608245225 /nfs/dbraw/zinc/24/52/25/608245225.db2.gz QVNDHKJRGBNWKH-UHFFFAOYSA-N -1 1 393.473 0.984 20 0 GCADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1O ZINC000826286388 608280411 /nfs/dbraw/zinc/28/04/11/608280411.db2.gz AEUSWPGAOCMEJU-ZDUSSCGKSA-N -1 1 394.439 0.951 20 0 GCADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1O ZINC000826286388 608280412 /nfs/dbraw/zinc/28/04/12/608280412.db2.gz AEUSWPGAOCMEJU-ZDUSSCGKSA-N -1 1 394.439 0.951 20 0 GCADMM CS(=O)(=O)Nc1ccc(OCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000826224305 608298227 /nfs/dbraw/zinc/29/82/27/608298227.db2.gz YXUOWXSQQLQBGJ-UHFFFAOYSA-N -1 1 376.402 0.519 20 0 GCADMM CS(=O)(=O)Nc1ccc(OCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000826224305 608298229 /nfs/dbraw/zinc/29/82/29/608298229.db2.gz YXUOWXSQQLQBGJ-UHFFFAOYSA-N -1 1 376.402 0.519 20 0 GCADMM COCCN(CC(=O)N(C)C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826158092 608308465 /nfs/dbraw/zinc/30/84/65/608308465.db2.gz ZUIIIDOZDDIVIM-UHFFFAOYSA-N -1 1 398.471 0.897 20 0 GCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826467219 608318999 /nfs/dbraw/zinc/31/89/99/608318999.db2.gz MBNXEXSULNNRPI-CYBMUJFWSA-N -1 1 379.380 0.749 20 0 GCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826467219 608319001 /nfs/dbraw/zinc/31/90/01/608319001.db2.gz MBNXEXSULNNRPI-CYBMUJFWSA-N -1 1 379.380 0.749 20 0 GCADMM Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000826358293 608337052 /nfs/dbraw/zinc/33/70/52/608337052.db2.gz NVXHMGPNIJDOBK-UHFFFAOYSA-N -1 1 379.377 0.968 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCCSCC2)n1 ZINC000824141575 608339750 /nfs/dbraw/zinc/33/97/50/608339750.db2.gz JUFHMOVZTLQDPT-UHFFFAOYSA-N -1 1 378.462 0.722 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCCSCC2)n1 ZINC000824141575 608339752 /nfs/dbraw/zinc/33/97/52/608339752.db2.gz JUFHMOVZTLQDPT-UHFFFAOYSA-N -1 1 378.462 0.722 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCC[C@H](O)C2)n1 ZINC000824147387 608341376 /nfs/dbraw/zinc/34/13/76/608341376.db2.gz BNUZCUHUBUHVIA-ZJUUUORDSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCC[C@H](O)C2)n1 ZINC000824147387 608341378 /nfs/dbraw/zinc/34/13/78/608341378.db2.gz BNUZCUHUBUHVIA-ZJUUUORDSA-N -1 1 376.421 0.176 20 0 GCADMM CCN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825416703 608342352 /nfs/dbraw/zinc/34/23/52/608342352.db2.gz LJUZNZLZIZJDLJ-NSHDSACASA-N -1 1 390.448 0.642 20 0 GCADMM CCN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825416703 608342354 /nfs/dbraw/zinc/34/23/54/608342354.db2.gz LJUZNZLZIZJDLJ-NSHDSACASA-N -1 1 390.448 0.642 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCCCO2)n1 ZINC000824147710 608350981 /nfs/dbraw/zinc/35/09/81/608350981.db2.gz HPODTWJNFMSUPR-JTQLQIEISA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCCCO2)n1 ZINC000824147710 608350983 /nfs/dbraw/zinc/35/09/83/608350983.db2.gz HPODTWJNFMSUPR-JTQLQIEISA-N -1 1 376.421 0.442 20 0 GCADMM CC[C@@H]1COCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825221062 608353353 /nfs/dbraw/zinc/35/33/53/608353353.db2.gz XQUNRSKZRUIWRJ-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM CC[C@@H]1COCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825221062 608353354 /nfs/dbraw/zinc/35/33/54/608353354.db2.gz XQUNRSKZRUIWRJ-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM CC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000825205915 608353493 /nfs/dbraw/zinc/35/34/93/608353493.db2.gz XWSSTRKVJGVSGT-GHMZBOCLSA-N -1 1 390.448 0.783 20 0 GCADMM CC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000825205915 608353495 /nfs/dbraw/zinc/35/34/95/608353495.db2.gz XWSSTRKVJGVSGT-GHMZBOCLSA-N -1 1 390.448 0.783 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCSC2)n1 ZINC000824148516 608353958 /nfs/dbraw/zinc/35/39/58/608353958.db2.gz YECBEXFYWAMUKK-SECBINFHSA-N -1 1 378.462 0.769 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCSC2)n1 ZINC000824148516 608353960 /nfs/dbraw/zinc/35/39/60/608353960.db2.gz YECBEXFYWAMUKK-SECBINFHSA-N -1 1 378.462 0.769 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)n1 ZINC000824148236 608354367 /nfs/dbraw/zinc/35/43/67/608354367.db2.gz POYXXNGUPOSDIC-ZYHUDNBSSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)n1 ZINC000824148236 608354369 /nfs/dbraw/zinc/35/43/69/608354369.db2.gz POYXXNGUPOSDIC-ZYHUDNBSSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@@H](CCO)C2)n1 ZINC000824142485 608354379 /nfs/dbraw/zinc/35/43/79/608354379.db2.gz UYIIVECHDBEODU-NSHDSACASA-N -1 1 390.448 0.378 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@@H](CCO)C2)n1 ZINC000824142485 608354380 /nfs/dbraw/zinc/35/43/80/608354380.db2.gz UYIIVECHDBEODU-NSHDSACASA-N -1 1 390.448 0.378 20 0 GCADMM CC[C@@H](O)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825154858 608354561 /nfs/dbraw/zinc/35/45/61/608354561.db2.gz UZRUROCGPALIIH-SNVBAGLBSA-N -1 1 378.437 0.424 20 0 GCADMM CC[C@@H](O)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825154858 608354562 /nfs/dbraw/zinc/35/45/62/608354562.db2.gz UZRUROCGPALIIH-SNVBAGLBSA-N -1 1 378.437 0.424 20 0 GCADMM CCc1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)on1 ZINC000825700898 608355631 /nfs/dbraw/zinc/35/56/31/608355631.db2.gz YGTJGSGGBQUZAK-UHFFFAOYSA-N -1 1 387.404 0.624 20 0 GCADMM CCc1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)on1 ZINC000825700898 608355633 /nfs/dbraw/zinc/35/56/33/608355633.db2.gz YGTJGSGGBQUZAK-UHFFFAOYSA-N -1 1 387.404 0.624 20 0 GCADMM CC(C)(C)C[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824079315 608357501 /nfs/dbraw/zinc/35/75/01/608357501.db2.gz OLOXJNKEEXCXTN-SNVBAGLBSA-N -1 1 392.464 0.670 20 0 GCADMM CC(C)(C)C[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824079315 608357503 /nfs/dbraw/zinc/35/75/03/608357503.db2.gz OLOXJNKEEXCXTN-SNVBAGLBSA-N -1 1 392.464 0.670 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H](CO)CC2CC2)n1 ZINC000824142899 608357616 /nfs/dbraw/zinc/35/76/16/608357616.db2.gz ZLPYUMRQXKZMBY-JTQLQIEISA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H](CO)CC2CC2)n1 ZINC000824142899 608357618 /nfs/dbraw/zinc/35/76/18/608357618.db2.gz ZLPYUMRQXKZMBY-JTQLQIEISA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)n1 ZINC000824148522 608357775 /nfs/dbraw/zinc/35/77/75/608357775.db2.gz YJAYGCWGERUXJG-SNVBAGLBSA-N -1 1 398.431 0.154 20 0 GCADMM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824677063 608357858 /nfs/dbraw/zinc/35/78/58/608357858.db2.gz AOZWLHNJSPCRJA-MNOVXSKESA-N -1 1 390.448 0.376 20 0 GCADMM C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824677063 608357859 /nfs/dbraw/zinc/35/78/59/608357859.db2.gz AOZWLHNJSPCRJA-MNOVXSKESA-N -1 1 390.448 0.376 20 0 GCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824402416 608357938 /nfs/dbraw/zinc/35/79/38/608357938.db2.gz WKEFAYGLZLWPGX-QWRGUYRKSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824402416 608357940 /nfs/dbraw/zinc/35/79/40/608357940.db2.gz WKEFAYGLZLWPGX-QWRGUYRKSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824882562 608357943 /nfs/dbraw/zinc/35/79/43/608357943.db2.gz BTMOQTALGYWWPK-VHSXEESVSA-N -1 1 376.421 0.440 20 0 GCADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824882562 608357945 /nfs/dbraw/zinc/35/79/45/608357945.db2.gz BTMOQTALGYWWPK-VHSXEESVSA-N -1 1 376.421 0.440 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2cccc(F)n2)n1 ZINC000824147598 608357960 /nfs/dbraw/zinc/35/79/60/608357960.db2.gz FMJZVRQPDFDIAA-UHFFFAOYSA-N -1 1 387.379 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2cccc(F)n2)n1 ZINC000824147598 608357962 /nfs/dbraw/zinc/35/79/62/608357962.db2.gz FMJZVRQPDFDIAA-UHFFFAOYSA-N -1 1 387.379 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2COC(C)(C)O2)n1 ZINC000824811857 608361510 /nfs/dbraw/zinc/36/15/10/608361510.db2.gz FQUYYXQQFKEXKQ-SECBINFHSA-N -1 1 392.420 0.024 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2COC(C)(C)O2)n1 ZINC000824811857 608361512 /nfs/dbraw/zinc/36/15/12/608361512.db2.gz FQUYYXQQFKEXKQ-SECBINFHSA-N -1 1 392.420 0.024 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)c1ncon1 ZINC000826327934 608387216 /nfs/dbraw/zinc/38/72/16/608387216.db2.gz ACTDIPXQYPQTCF-SECBINFHSA-N -1 1 382.388 0.719 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)c1ncon1 ZINC000826327934 608387217 /nfs/dbraw/zinc/38/72/17/608387217.db2.gz ACTDIPXQYPQTCF-SECBINFHSA-N -1 1 382.388 0.719 20 0 GCADMM COc1cccc(CC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826215054 608405062 /nfs/dbraw/zinc/40/50/62/608405062.db2.gz FJSIMHYPTHKJHB-UHFFFAOYSA-N -1 1 380.412 0.557 20 0 GCADMM COc1cccc(CC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826215054 608405063 /nfs/dbraw/zinc/40/50/63/608405063.db2.gz FJSIMHYPTHKJHB-UHFFFAOYSA-N -1 1 380.412 0.557 20 0 GCADMM COc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826197412 608408358 /nfs/dbraw/zinc/40/83/58/608408358.db2.gz NYFLGWBNWHLDOR-UHFFFAOYSA-N -1 1 385.432 0.955 20 0 GCADMM COc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826197412 608408360 /nfs/dbraw/zinc/40/83/60/608408360.db2.gz NYFLGWBNWHLDOR-UHFFFAOYSA-N -1 1 385.432 0.955 20 0 GCADMM COCCNS(=O)(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826160317 608421870 /nfs/dbraw/zinc/42/18/70/608421870.db2.gz NXAAJUZHJMNCFS-UHFFFAOYSA-N -1 1 390.429 0.194 20 0 GCADMM COCCNS(=O)(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826160317 608421872 /nfs/dbraw/zinc/42/18/72/608421872.db2.gz NXAAJUZHJMNCFS-UHFFFAOYSA-N -1 1 390.429 0.194 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826494891 608423790 /nfs/dbraw/zinc/42/37/90/608423790.db2.gz UFTCMJBYRHRFTJ-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826494891 608423791 /nfs/dbraw/zinc/42/37/91/608423791.db2.gz UFTCMJBYRHRFTJ-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000826483170 608434546 /nfs/dbraw/zinc/43/45/46/608434546.db2.gz DHTIQEIYLPFRMO-LLVKDONJSA-N -1 1 392.379 0.158 20 0 GCADMM O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000826483170 608434548 /nfs/dbraw/zinc/43/45/48/608434548.db2.gz DHTIQEIYLPFRMO-LLVKDONJSA-N -1 1 392.379 0.158 20 0 GCADMM Cc1ccnc2c1NC(=O)CN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826314752 608445561 /nfs/dbraw/zinc/44/55/61/608445561.db2.gz LLVHAWSBBODDAQ-UHFFFAOYSA-N -1 1 389.372 0.857 20 0 GCADMM CCc1nnc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825767796 608548334 /nfs/dbraw/zinc/54/83/34/608548334.db2.gz OWNYRVBLSJAUDT-UHFFFAOYSA-N -1 1 377.438 0.682 20 0 GCADMM CCc1nnc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825767796 608548337 /nfs/dbraw/zinc/54/83/37/608548337.db2.gz OWNYRVBLSJAUDT-UHFFFAOYSA-N -1 1 377.438 0.682 20 0 GCADMM COC(=O)C1CCC(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000826128450 608555051 /nfs/dbraw/zinc/55/50/51/608555051.db2.gz CWUFVDLGIRZMEJ-UHFFFAOYSA-N -1 1 390.448 0.542 20 0 GCADMM COC(=O)C1CCC(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000826128450 608555052 /nfs/dbraw/zinc/55/50/52/608555052.db2.gz CWUFVDLGIRZMEJ-UHFFFAOYSA-N -1 1 390.448 0.542 20 0 GCADMM CCOC(=O)N[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(C)C ZINC000825523144 608556099 /nfs/dbraw/zinc/55/60/99/608556099.db2.gz NHJNEHDLKILVHR-GFCCVEGCSA-N -1 1 393.452 0.334 20 0 GCADMM CCOC(=O)N[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000825523144 608556101 /nfs/dbraw/zinc/55/61/01/608556101.db2.gz NHJNEHDLKILVHR-GFCCVEGCSA-N -1 1 393.452 0.334 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000825933330 608557744 /nfs/dbraw/zinc/55/77/44/608557744.db2.gz BVYMWAHJZJTHPZ-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000825933330 608557746 /nfs/dbraw/zinc/55/77/46/608557746.db2.gz BVYMWAHJZJTHPZ-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CCOC(=O)C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCC1 ZINC000825494564 608557885 /nfs/dbraw/zinc/55/78/85/608557885.db2.gz YMAQUSBDDOAGHM-UHFFFAOYSA-N -1 1 376.421 0.296 20 0 GCADMM CCOC(=O)C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCC1 ZINC000825494564 608557886 /nfs/dbraw/zinc/55/78/86/608557886.db2.gz YMAQUSBDDOAGHM-UHFFFAOYSA-N -1 1 376.421 0.296 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(C2OCCO2)c1 ZINC000825934313 608557939 /nfs/dbraw/zinc/55/79/39/608557939.db2.gz MGAVLOLQOJELOG-UHFFFAOYSA-N -1 1 398.427 0.922 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(C2OCCO2)c1 ZINC000825934313 608557942 /nfs/dbraw/zinc/55/79/42/608557942.db2.gz MGAVLOLQOJELOG-UHFFFAOYSA-N -1 1 398.427 0.922 20 0 GCADMM CC(C)CN1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1=O ZINC000824261769 608558291 /nfs/dbraw/zinc/55/82/91/608558291.db2.gz PXYMRGVOLNSPQP-LLVKDONJSA-N -1 1 389.464 0.068 20 0 GCADMM CC(C)CN1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1=O ZINC000824261769 608558293 /nfs/dbraw/zinc/55/82/93/608558293.db2.gz PXYMRGVOLNSPQP-LLVKDONJSA-N -1 1 389.464 0.068 20 0 GCADMM COc1cccc([C@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826215203 608558643 /nfs/dbraw/zinc/55/86/43/608558643.db2.gz JGNUNJFJFFIKQS-AWEZNQCLSA-N -1 1 386.416 0.305 20 0 GCADMM COc1cccc([C@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826215203 608558644 /nfs/dbraw/zinc/55/86/44/608558644.db2.gz JGNUNJFJFFIKQS-AWEZNQCLSA-N -1 1 386.416 0.305 20 0 GCADMM CCCCCS(=O)(=O)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825276546 608558884 /nfs/dbraw/zinc/55/88/84/608558884.db2.gz ZVZOUTYYFQIOKN-UHFFFAOYSA-N -1 1 398.493 0.168 20 0 GCADMM CCCCCS(=O)(=O)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825276546 608558886 /nfs/dbraw/zinc/55/88/86/608558886.db2.gz ZVZOUTYYFQIOKN-UHFFFAOYSA-N -1 1 398.493 0.168 20 0 GCADMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824728372 608558998 /nfs/dbraw/zinc/55/89/98/608558998.db2.gz FPLNALNIBZWHKF-NEPJUHHUSA-N -1 1 392.464 0.537 20 0 GCADMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824728372 608559000 /nfs/dbraw/zinc/55/90/00/608559000.db2.gz FPLNALNIBZWHKF-NEPJUHHUSA-N -1 1 392.464 0.537 20 0 GCADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826134372 608560355 /nfs/dbraw/zinc/56/03/55/608560355.db2.gz WPWFYGNZGFWDJG-GHMZBOCLSA-N -1 1 390.448 0.542 20 0 GCADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826134372 608560357 /nfs/dbraw/zinc/56/03/57/608560357.db2.gz WPWFYGNZGFWDJG-GHMZBOCLSA-N -1 1 390.448 0.542 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1O ZINC000824991375 608563020 /nfs/dbraw/zinc/56/30/20/608563020.db2.gz AGEADLYUZSFHCS-GMSGAONNSA-N -1 1 377.348 0.887 20 0 GCADMM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826390714 608566186 /nfs/dbraw/zinc/56/61/86/608566186.db2.gz JRRWWPBVAJVVOV-SECBINFHSA-N -1 1 388.862 0.112 20 0 GCADMM CCOc1cccc([C@H]2C[C@H]2Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000825649646 608589094 /nfs/dbraw/zinc/58/90/94/608589094.db2.gz UEZBKFPQTBCPON-CHWSQXEVSA-N -1 1 383.412 0.631 20 0 GCADMM O=c1[n-]c(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000826502125 608652865 /nfs/dbraw/zinc/65/28/65/608652865.db2.gz VFHPBKDFJHVXDN-UHFFFAOYSA-N -1 1 384.360 0.261 20 0 GCADMM Cc1nc(S(=O)(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cn1C ZINC000826327468 608741334 /nfs/dbraw/zinc/74/13/34/608741334.db2.gz JALIDVCVYUSGEI-UHFFFAOYSA-N -1 1 392.445 0.008 20 0 GCADMM Cc1nc(S(=O)(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)cn1C ZINC000826327468 608741336 /nfs/dbraw/zinc/74/13/36/608741336.db2.gz JALIDVCVYUSGEI-UHFFFAOYSA-N -1 1 392.445 0.008 20 0 GCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnn2cc(Br)cnc12 ZINC000826395729 608861888 /nfs/dbraw/zinc/86/18/88/608861888.db2.gz QULKJIRMAHBDOV-UHFFFAOYSA-N -1 1 375.150 0.139 20 0 GCADMM CCC[C@H]1C(=O)NCCN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825248160 609165932 /nfs/dbraw/zinc/16/59/32/609165932.db2.gz PRXKFZDUWSUCKK-JTQLQIEISA-N -1 1 377.430 0.430 20 0 GCADMM CN(Cc1cc(F)c(F)c(F)c1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825953311 609171404 /nfs/dbraw/zinc/17/14/04/609171404.db2.gz DRBYLMUADAUNPN-UHFFFAOYSA-N -1 1 381.318 0.318 20 0 GCADMM CC[C@@H](C)Oc1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccn1 ZINC000825075814 609172752 /nfs/dbraw/zinc/17/27/52/609172752.db2.gz QTQNUTCJCCXONY-SNVBAGLBSA-N -1 1 386.416 0.449 20 0 GCADMM CC[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)N1CCCC1=O ZINC000825040051 609235840 /nfs/dbraw/zinc/23/58/40/609235840.db2.gz YKHFGYCWXMITHJ-QWHCGFSZSA-N -1 1 399.459 0.095 20 0 GCADMM CC[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)N1CCCC1=O ZINC000825040051 609235841 /nfs/dbraw/zinc/23/58/41/609235841.db2.gz YKHFGYCWXMITHJ-QWHCGFSZSA-N -1 1 399.459 0.095 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826394870 609262735 /nfs/dbraw/zinc/26/27/35/609262735.db2.gz CIUVZUBAEGAJSD-UHFFFAOYSA-N -1 1 390.381 0.237 20 0 GCADMM C[C@H]1CN(C(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824967196 609278568 /nfs/dbraw/zinc/27/85/68/609278568.db2.gz HUFXFXFZHNEUOA-NSHDSACASA-N -1 1 386.391 0.851 20 0 GCADMM CN(C)S(=O)(=O)CCCNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825875523 609278783 /nfs/dbraw/zinc/27/87/83/609278783.db2.gz RTNPNQKBGOEECG-UHFFFAOYSA-N -1 1 394.436 0.885 20 0 GCADMM CCN1C[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1=O ZINC000825444642 609292396 /nfs/dbraw/zinc/29/23/96/609292396.db2.gz PQRQGYBQMFDNFP-JTQLQIEISA-N -1 1 384.375 0.998 20 0 GCADMM Cc1csc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826320908 609299584 /nfs/dbraw/zinc/29/95/84/609299584.db2.gz JLIAPPABMAFFDY-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM Cc1csc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826320908 609299586 /nfs/dbraw/zinc/29/95/86/609299586.db2.gz JLIAPPABMAFFDY-UHFFFAOYSA-N -1 1 376.450 0.711 20 0 GCADMM COC(=O)CN(CCc1ccccc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826138261 609301134 /nfs/dbraw/zinc/30/11/34/609301134.db2.gz MTASQMFRXNNXDK-UHFFFAOYSA-N -1 1 384.396 0.950 20 0 GCADMM COC(=O)CN(CCc1ccccc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826138261 609301136 /nfs/dbraw/zinc/30/11/36/609301136.db2.gz MTASQMFRXNNXDK-UHFFFAOYSA-N -1 1 384.396 0.950 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC000826229617 609301283 /nfs/dbraw/zinc/30/12/83/609301283.db2.gz KYAHRSBWHPXOSU-GMSGAONNSA-N -1 1 377.430 0.463 20 0 GCADMM Cc1noc(C)c1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826339038 609303353 /nfs/dbraw/zinc/30/33/53/609303353.db2.gz OZAGOSSOXKGSFO-UHFFFAOYSA-N -1 1 388.436 0.594 20 0 GCADMM Cc1noc(C)c1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826339038 609303356 /nfs/dbraw/zinc/30/33/56/609303356.db2.gz OZAGOSSOXKGSFO-UHFFFAOYSA-N -1 1 388.436 0.594 20 0 GCADMM C[C@H](Cc1ccncc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457253 609303569 /nfs/dbraw/zinc/30/35/69/609303569.db2.gz IFTXJNYUEFBNGC-LLVKDONJSA-N -1 1 384.448 0.772 20 0 GCADMM C[C@H](Cc1ccncc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457253 609303570 /nfs/dbraw/zinc/30/35/70/609303570.db2.gz IFTXJNYUEFBNGC-LLVKDONJSA-N -1 1 384.448 0.772 20 0 GCADMM Cc1cc(Br)ccc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826256618 609307765 /nfs/dbraw/zinc/30/77/65/609307765.db2.gz RUOKSVINHBIRCS-UHFFFAOYSA-N -1 1 377.202 0.846 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000825930185 609309776 /nfs/dbraw/zinc/30/97/76/609309776.db2.gz RKJUKXNZQOKIAE-LLVKDONJSA-N -1 1 385.436 0.547 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000825930384 609309922 /nfs/dbraw/zinc/30/99/22/609309922.db2.gz VKCBLYKJXFWRQR-LOWVWBTDSA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000825930384 609309924 /nfs/dbraw/zinc/30/99/24/609309924.db2.gz VKCBLYKJXFWRQR-LOWVWBTDSA-N -1 1 389.464 0.704 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000825929170 609309991 /nfs/dbraw/zinc/30/99/91/609309991.db2.gz CBVFDZRAGMFITK-NSHDSACASA-N -1 1 399.463 0.520 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000825929170 609309992 /nfs/dbraw/zinc/30/99/92/609309992.db2.gz CBVFDZRAGMFITK-NSHDSACASA-N -1 1 399.463 0.520 20 0 GCADMM NC(=O)c1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c[nH]1 ZINC000826392849 609313597 /nfs/dbraw/zinc/31/35/97/609313597.db2.gz PHESCVMOSRAVSF-UHFFFAOYSA-N -1 1 381.331 0.871 20 0 GCADMM NC(=O)CSCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826391216 609313615 /nfs/dbraw/zinc/31/36/15/609313615.db2.gz BAWFMWFVIGIYLA-UHFFFAOYSA-N -1 1 376.377 0.349 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H](O)C1CCOCC1 ZINC000826458659 609314038 /nfs/dbraw/zinc/31/40/38/609314038.db2.gz ZWPWSVHWKHCZOO-HNNXBMFYSA-N -1 1 387.375 0.918 20 0 GCADMM CCOC(=O)c1cnc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nc1C ZINC000825565709 609315963 /nfs/dbraw/zinc/31/59/63/609315963.db2.gz XSWFEKZJIKWTDW-UHFFFAOYSA-N -1 1 386.420 0.516 20 0 GCADMM CCOC(=O)c1cnc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1C ZINC000825565709 609315964 /nfs/dbraw/zinc/31/59/64/609315964.db2.gz XSWFEKZJIKWTDW-UHFFFAOYSA-N -1 1 386.420 0.516 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCOc3c(F)cccc32)n(C)c1=O ZINC000826356056 609324630 /nfs/dbraw/zinc/32/46/30/609324630.db2.gz YTKHVBOBHVQXLX-NSHDSACASA-N -1 1 387.375 0.729 20 0 GCADMM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826128316 609328918 /nfs/dbraw/zinc/32/89/18/609328918.db2.gz CGKHGFIJFZLHJU-NOZJJQNGSA-N -1 1 399.404 0.347 20 0 GCADMM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826129386 609329137 /nfs/dbraw/zinc/32/91/37/609329137.db2.gz QETZADBLUTUCGB-KOLCDFICSA-N -1 1 399.404 0.347 20 0 GCADMM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826129386 609329139 /nfs/dbraw/zinc/32/91/39/609329139.db2.gz QETZADBLUTUCGB-KOLCDFICSA-N -1 1 399.404 0.347 20 0 GCADMM CCCNC(=O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825326908 609361329 /nfs/dbraw/zinc/36/13/29/609361329.db2.gz IJRILBNYLPMHGB-UHFFFAOYSA-N -1 1 387.379 0.839 20 0 GCADMM O=C(NC[C@H]1COCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435080 609361486 /nfs/dbraw/zinc/36/14/86/609361486.db2.gz GDPVYDDNTNEQTD-JTQLQIEISA-N -1 1 388.363 0.728 20 0 GCADMM COCCOCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826160807 609361775 /nfs/dbraw/zinc/36/17/75/609361775.db2.gz HSJDCZWYXFSECA-UHFFFAOYSA-N -1 1 390.379 0.976 20 0 GCADMM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826233322 609384106 /nfs/dbraw/zinc/38/41/06/609384106.db2.gz CHIOWYRJIJDHIG-UHFFFAOYSA-N -1 1 388.457 0.829 20 0 GCADMM CCc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc(=O)[nH]1 ZINC000825694443 609387901 /nfs/dbraw/zinc/38/79/01/609387901.db2.gz QAPGJDSXBZKERZ-LLVKDONJSA-N -1 1 395.427 0.671 20 0 GCADMM CCc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc(=O)[nH]1 ZINC000825694443 609387902 /nfs/dbraw/zinc/38/79/02/609387902.db2.gz QAPGJDSXBZKERZ-LLVKDONJSA-N -1 1 395.427 0.671 20 0 GCADMM COC[C@](C)(CCO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826148925 609397265 /nfs/dbraw/zinc/39/72/65/609397265.db2.gz UNGPIJMWRCVLPX-KRWDZBQOSA-N -1 1 378.433 0.420 20 0 GCADMM CC(C)C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000824237696 609427074 /nfs/dbraw/zinc/42/70/74/609427074.db2.gz UEPJNVQTKRDAEO-JTQLQIEISA-N -1 1 393.448 0.432 20 0 GCADMM O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826472543 609428722 /nfs/dbraw/zinc/42/87/22/609428722.db2.gz 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GCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)[n-]n1 ZINC001190382552 1206033152 /nfs/dbraw/zinc/03/31/52/1206033152.db2.gz ICDPHWQVLTUBQU-QWRGUYRKSA-N -1 1 392.437 0.841 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n[n-]1 ZINC001190382552 1206033155 /nfs/dbraw/zinc/03/31/55/1206033155.db2.gz ICDPHWQVLTUBQU-QWRGUYRKSA-N -1 1 392.437 0.841 20 0 GCADMM Cn1cnnc1S(=O)(=O)[N-][C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001190372114 1206033682 /nfs/dbraw/zinc/03/36/82/1206033682.db2.gz BZKRCIMWYCRRER-VIFPVBQESA-N -1 1 381.405 0.738 20 0 GCADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC001190404054 1206033699 /nfs/dbraw/zinc/03/36/99/1206033699.db2.gz WPTGYFZVXYVBFN-VLFKAIERSA-N -1 1 393.535 0.789 20 0 GCADMM CCOC(=O)CC[C@H](NC(=O)NCC[N-]C(=O)C(F)(F)F)C(=O)OCC ZINC001190481744 1206035060 /nfs/dbraw/zinc/03/50/60/1206035060.db2.gz IQQMZCNGWPQJIP-VIFPVBQESA-N -1 1 385.339 0.239 20 0 GCADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3cc(I)c[nH]c3=O)c1-2 ZINC001190598500 1206039877 /nfs/dbraw/zinc/03/98/77/1206039877.db2.gz KHHBNXCDCSDLJC-UHFFFAOYSA-N -1 1 396.148 0.992 20 0 GCADMM O=C(c1cnc(-c2ccccn2)[n-]c1=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001190628223 1206040792 /nfs/dbraw/zinc/04/07/92/1206040792.db2.gz KWLVRBUITVMCOR-UHFFFAOYSA-N -1 1 379.380 0.702 20 0 GCADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C1(CCO)CC1 ZINC001190807371 1206047413 /nfs/dbraw/zinc/04/74/13/1206047413.db2.gz BJWSTSSUFRBAPA-UHFFFAOYSA-N -1 1 391.247 0.694 20 0 GCADMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)c(C)c1OC ZINC001190888725 1206049945 /nfs/dbraw/zinc/04/99/45/1206049945.db2.gz JWNMFZGGANBACY-JTQLQIEISA-N -1 1 383.426 0.851 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3c(c2)C(=O)NCC3)c1-c1nnn[n-]1 ZINC000737776513 945124544 /nfs/dbraw/zinc/12/45/44/945124544.db2.gz PKTITBQHQHBUPU-UHFFFAOYSA-N -1 1 396.415 0.212 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3c(c2)C(=O)NCC3)c1-c1nn[n-]n1 ZINC000737776513 945124552 /nfs/dbraw/zinc/12/45/52/945124552.db2.gz PKTITBQHQHBUPU-UHFFFAOYSA-N -1 1 396.415 0.212 20 0 GCADMM CC(=O)N1CCN([C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000819796870 945293771 /nfs/dbraw/zinc/29/37/71/945293771.db2.gz QFRCDZMBYBYAQO-GXSJLCMTSA-N -1 1 396.908 0.965 20 0 GCADMM CC(=O)Nc1ccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000819818648 945296127 /nfs/dbraw/zinc/29/61/27/945296127.db2.gz UHPJPKCVZSBLMC-UHFFFAOYSA-N -1 1 397.443 0.764 20 0 GCADMM CC(=O)Nc1ccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000819818648 945296136 /nfs/dbraw/zinc/29/61/36/945296136.db2.gz UHPJPKCVZSBLMC-UHFFFAOYSA-N -1 1 397.443 0.764 20 0 GCADMM NC(=O)c1ccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571257590 945343300 /nfs/dbraw/zinc/34/33/00/945343300.db2.gz GONKMSPDNBYXIY-ZKCHVHJHSA-N -1 1 385.413 0.190 20 0 GCADMM NC(=O)c1ccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571257590 945343312 /nfs/dbraw/zinc/34/33/12/945343312.db2.gz GONKMSPDNBYXIY-ZKCHVHJHSA-N -1 1 385.413 0.190 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCN1CCCC1=O ZINC000737198478 944980334 /nfs/dbraw/zinc/98/03/34/944980334.db2.gz AGNJVOHBUFRNCX-UHFFFAOYSA-N -1 1 387.444 0.598 20 0 GCADMM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571258927 945369658 /nfs/dbraw/zinc/36/96/58/945369658.db2.gz AHKFRTNVQGUVOE-QJPTWQEYSA-N -1 1 385.432 0.165 20 0 GCADMM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571258927 945369667 /nfs/dbraw/zinc/36/96/67/945369667.db2.gz AHKFRTNVQGUVOE-QJPTWQEYSA-N -1 1 385.432 0.165 20 0 GCADMM O=C(CN1CCCCC1=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571259041 945373963 /nfs/dbraw/zinc/37/39/63/945373963.db2.gz CBYIGWYAZRHDHD-LBPRGKRZSA-N -1 1 385.432 0.072 20 0 GCADMM O=C(CN1CCCCC1=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571259041 945373974 /nfs/dbraw/zinc/37/39/74/945373974.db2.gz CBYIGWYAZRHDHD-LBPRGKRZSA-N -1 1 385.432 0.072 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571259152 945378895 /nfs/dbraw/zinc/37/88/95/945378895.db2.gz IMSQNLXXJIPMJU-YPMHNXCESA-N -1 1 385.432 0.069 20 0 GCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571259152 945378909 /nfs/dbraw/zinc/37/89/09/945378909.db2.gz IMSQNLXXJIPMJU-YPMHNXCESA-N -1 1 385.432 0.069 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571259542 945390794 /nfs/dbraw/zinc/39/07/94/945390794.db2.gz OGJDNEQQHSRRJY-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571259542 945390808 /nfs/dbraw/zinc/39/08/08/945390808.db2.gz OGJDNEQQHSRRJY-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM Cc1nccnc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001571260051 945405670 /nfs/dbraw/zinc/40/56/70/945405670.db2.gz NVYYOKDOLSSZAK-JTQLQIEISA-N -1 1 385.436 0.606 20 0 GCADMM Cc1nccnc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001571260051 945405680 /nfs/dbraw/zinc/40/56/80/945405680.db2.gz NVYYOKDOLSSZAK-JTQLQIEISA-N -1 1 385.436 0.606 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)CN1CCCCC1=O ZINC001571260095 945407150 /nfs/dbraw/zinc/40/71/50/945407150.db2.gz VXPYOYZAOKDUGG-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)CN1CCCCC1=O ZINC001571260095 945407158 /nfs/dbraw/zinc/40/71/58/945407158.db2.gz VXPYOYZAOKDUGG-NEPJUHHUSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)CN1CCCCC1=O ZINC001571260101 945407572 /nfs/dbraw/zinc/40/75/72/945407572.db2.gz VXPYOYZAOKDUGG-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)CN1CCCCC1=O ZINC001571260101 945407575 /nfs/dbraw/zinc/40/75/75/945407575.db2.gz VXPYOYZAOKDUGG-VXGBXAGGSA-N -1 1 385.432 0.071 20 0 GCADMM O=C(NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(=O)NC1 ZINC001571260175 945410293 /nfs/dbraw/zinc/41/02/93/945410293.db2.gz PIQYYDDBDFIZHA-UNXYVOJBSA-N -1 1 385.432 0.022 20 0 GCADMM O=C(NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(=O)NC1 ZINC001571260175 945410297 /nfs/dbraw/zinc/41/02/97/945410297.db2.gz PIQYYDDBDFIZHA-UNXYVOJBSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCC(=O)N1 ZINC001571260617 945420961 /nfs/dbraw/zinc/42/09/61/945420961.db2.gz XNAWYQGVYHYHHD-DIFFPNOSSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCC(=O)N1 ZINC001571260617 945420968 /nfs/dbraw/zinc/42/09/68/945420968.db2.gz XNAWYQGVYHYHHD-DIFFPNOSSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@]1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCC(=O)N1 ZINC001571260618 945421240 /nfs/dbraw/zinc/42/12/40/945421240.db2.gz XNAWYQGVYHYHHD-GTNSWQLSSA-N -1 1 385.432 0.118 20 0 GCADMM C[C@@]1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCC(=O)N1 ZINC001571260618 945421247 /nfs/dbraw/zinc/42/12/47/945421247.db2.gz XNAWYQGVYHYHHD-GTNSWQLSSA-N -1 1 385.432 0.118 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC001571260676 945421418 /nfs/dbraw/zinc/42/14/18/945421418.db2.gz YZDHGPDLEGMRKI-VXGBXAGGSA-N -1 1 385.432 0.037 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC001571260676 945421424 /nfs/dbraw/zinc/42/14/24/945421424.db2.gz YZDHGPDLEGMRKI-VXGBXAGGSA-N -1 1 385.432 0.037 20 0 GCADMM CN(C(=O)Cc1cscn1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571261365 945425063 /nfs/dbraw/zinc/42/50/63/945425063.db2.gz DHFMKFMJERPWMV-UHFFFAOYSA-N -1 1 385.457 0.783 20 0 GCADMM CN(C(=O)Cc1cscn1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571261365 945425070 /nfs/dbraw/zinc/42/50/70/945425070.db2.gz DHFMKFMJERPWMV-UHFFFAOYSA-N -1 1 385.457 0.783 20 0 GCADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)CCc1cscn1 ZINC001571261562 945426632 /nfs/dbraw/zinc/42/66/32/945426632.db2.gz GOMGKDMZGVUSAO-CMPLNLGQSA-N -1 1 385.457 0.569 20 0 GCADMM CCc1nc(CC(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001571262381 945437427 /nfs/dbraw/zinc/43/74/27/945437427.db2.gz QVUXMMWEGSEYAV-JTQLQIEISA-N -1 1 385.457 0.613 20 0 GCADMM CCc1nc(CC(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001571262381 945437432 /nfs/dbraw/zinc/43/74/32/945437432.db2.gz QVUXMMWEGSEYAV-JTQLQIEISA-N -1 1 385.457 0.613 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ns1 ZINC001571263227 945454054 /nfs/dbraw/zinc/45/40/54/945454054.db2.gz KLFKGPMLERTKLY-QWRGUYRKSA-N -1 1 385.457 0.997 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ns1 ZINC001571263225 945454238 /nfs/dbraw/zinc/45/42/38/945454238.db2.gz KLFKGPMLERTKLY-GHMZBOCLSA-N -1 1 385.457 0.997 20 0 GCADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571263518 945459523 /nfs/dbraw/zinc/45/95/23/945459523.db2.gz SFPOBDXJFRDSMW-KOLCDFICSA-N -1 1 385.457 0.806 20 0 GCADMM Cc1nc(CC(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c(C)s1 ZINC001571263491 945459869 /nfs/dbraw/zinc/45/98/69/945459869.db2.gz RJFRFHIZBHSETB-UHFFFAOYSA-N -1 1 385.457 0.621 20 0 GCADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571263517 945460097 /nfs/dbraw/zinc/46/00/97/945460097.db2.gz SFPOBDXJFRDSMW-GXSJLCMTSA-N -1 1 385.457 0.806 20 0 GCADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1nccs1 ZINC001571263648 945462829 /nfs/dbraw/zinc/46/28/29/945462829.db2.gz VTRUUAODOUHRJY-GHMZBOCLSA-N -1 1 385.457 0.936 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@@H]1COCCO1 ZINC001571264945 945494882 /nfs/dbraw/zinc/49/48/82/945494882.db2.gz BEWKFJISGCETSC-RNJXMRFFSA-N -1 1 385.837 0.451 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@H]1COCCO1 ZINC001571264942 945495026 /nfs/dbraw/zinc/49/50/26/945495026.db2.gz BEWKFJISGCETSC-BWZBUEFSSA-N -1 1 385.837 0.451 20 0 GCADMM C[C@]1([C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)NC(=O)NC1=O ZINC000820607317 945499556 /nfs/dbraw/zinc/49/95/56/945499556.db2.gz QFKGGOBSYUPBCJ-ANRSDYALSA-N -1 1 375.414 0.379 20 0 GCADMM C[C@]1([C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)NC(=O)NC1=O ZINC000820607317 945499562 /nfs/dbraw/zinc/49/95/62/945499562.db2.gz QFKGGOBSYUPBCJ-ANRSDYALSA-N -1 1 375.414 0.379 20 0 GCADMM CN(C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571265466 945512351 /nfs/dbraw/zinc/51/23/51/945512351.db2.gz GVOXEJZLBHIBRD-CQSZACIVSA-N -1 1 385.476 0.568 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cncc(Cl)c1 ZINC001571266122 945532049 /nfs/dbraw/zinc/53/20/49/945532049.db2.gz WUACBKBWQBVLHR-SNVBAGLBSA-N -1 1 385.819 0.961 20 0 GCADMM C[C@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571266854 945555174 /nfs/dbraw/zinc/55/51/74/945555174.db2.gz AJFCSCARGLJLNG-ZANVPECISA-N -1 1 386.366 0.929 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(F)c1F ZINC001571267515 945570746 /nfs/dbraw/zinc/57/07/46/945570746.db2.gz XSGHXDPIWKKUHJ-SNVBAGLBSA-N -1 1 386.366 0.992 20 0 GCADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cc(F)cc(F)c1 ZINC001571267470 945571709 /nfs/dbraw/zinc/57/17/09/945571709.db2.gz WETOYUGRMDUTAX-UHFFFAOYSA-N -1 1 386.366 0.977 20 0 GCADMM CC[C@H](C)[C@@H](O)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820859832 945573124 /nfs/dbraw/zinc/57/31/24/945573124.db2.gz GRJZSOYPXHXYQP-BONVTDFDSA-N -1 1 386.460 0.982 20 0 GCADMM CC[C@H](C)[C@@H](O)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820859832 945573130 /nfs/dbraw/zinc/57/31/30/945573130.db2.gz GRJZSOYPXHXYQP-BONVTDFDSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267640 945574519 /nfs/dbraw/zinc/57/45/19/945574519.db2.gz ASPFDOCRUFGGQE-MGCOHNPYSA-N -1 1 386.395 0.458 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267640 945574525 /nfs/dbraw/zinc/57/45/25/945574525.db2.gz ASPFDOCRUFGGQE-MGCOHNPYSA-N -1 1 386.395 0.458 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267621 945575260 /nfs/dbraw/zinc/57/52/60/945575260.db2.gz AMVWMKPYHZTWCN-BJDJZHNGSA-N -1 1 386.416 0.305 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267621 945575268 /nfs/dbraw/zinc/57/52/68/945575268.db2.gz AMVWMKPYHZTWCN-BJDJZHNGSA-N -1 1 386.416 0.305 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571267826 945578646 /nfs/dbraw/zinc/57/86/46/945578646.db2.gz GCVOXVHJESWAJF-RYUDHWBXSA-N -1 1 386.416 0.177 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571267826 945578659 /nfs/dbraw/zinc/57/86/59/945578659.db2.gz GCVOXVHJESWAJF-RYUDHWBXSA-N -1 1 386.416 0.177 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571267824 945579324 /nfs/dbraw/zinc/57/93/24/945579324.db2.gz GCVOXVHJESWAJF-NEPJUHHUSA-N -1 1 386.416 0.177 20 0 GCADMM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571267824 945579336 /nfs/dbraw/zinc/57/93/36/945579336.db2.gz GCVOXVHJESWAJF-NEPJUHHUSA-N -1 1 386.416 0.177 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571267829 945579726 /nfs/dbraw/zinc/57/97/26/945579726.db2.gz GDTUOYYETFYDHU-KOLCDFICSA-N -1 1 386.395 0.294 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571267761 945580122 /nfs/dbraw/zinc/58/01/22/945580122.db2.gz DHMGKKFXVXEZMT-SNVBAGLBSA-N -1 1 386.395 0.237 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571267761 945580126 /nfs/dbraw/zinc/58/01/26/945580126.db2.gz DHMGKKFXVXEZMT-SNVBAGLBSA-N -1 1 386.395 0.237 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001571267873 945581428 /nfs/dbraw/zinc/58/14/28/945581428.db2.gz HIAGEMPCGKSWMH-NWDGAFQWSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001571267873 945581436 /nfs/dbraw/zinc/58/14/36/945581436.db2.gz HIAGEMPCGKSWMH-NWDGAFQWSA-N -1 1 386.416 0.584 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](C)(NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267846 945581660 /nfs/dbraw/zinc/58/16/60/945581660.db2.gz GQESUOGFZMBWAJ-MRXNPFEDSA-N -1 1 386.395 0.480 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267891 945582175 /nfs/dbraw/zinc/58/21/75/945582175.db2.gz HVIURIMEVFFFLQ-AOOOYVTPSA-N -1 1 386.395 0.458 20 0 GCADMM Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267891 945582184 /nfs/dbraw/zinc/58/21/84/945582184.db2.gz HVIURIMEVFFFLQ-AOOOYVTPSA-N -1 1 386.395 0.458 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001571267872 945582474 /nfs/dbraw/zinc/58/24/74/945582474.db2.gz HIAGEMPCGKSWMH-NEPJUHHUSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001571267872 945582485 /nfs/dbraw/zinc/58/24/85/945582485.db2.gz HIAGEMPCGKSWMH-NEPJUHHUSA-N -1 1 386.416 0.584 20 0 GCADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571268165 945589457 /nfs/dbraw/zinc/58/94/57/945589457.db2.gz BPSBCIFRCSPIKC-UHFFFAOYSA-N -1 1 386.420 0.003 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)C3=COCCO3)CC[C@@H]2C)n1 ZINC001571268539 945598716 /nfs/dbraw/zinc/59/87/16/945598716.db2.gz GXDFCVZGNNGPBY-NWDGAFQWSA-N -1 1 386.416 0.327 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)C3=COCCO3)CC[C@@H]2C)n1 ZINC001571268539 945598724 /nfs/dbraw/zinc/59/87/24/945598724.db2.gz GXDFCVZGNNGPBY-NWDGAFQWSA-N -1 1 386.416 0.327 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001571268751 945603333 /nfs/dbraw/zinc/60/33/33/945603333.db2.gz JNNSPBNDVGOARC-BXKDBHETSA-N -1 1 386.420 0.049 20 0 GCADMM O=C(C[C@H]1COC(=O)C1)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571268857 945605359 /nfs/dbraw/zinc/60/53/59/945605359.db2.gz KWLKLOXTNDEYPT-NEPJUHHUSA-N -1 1 386.416 0.403 20 0 GCADMM O=C(C[C@H]1COC(=O)C1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571268857 945605365 /nfs/dbraw/zinc/60/53/65/945605365.db2.gz KWLKLOXTNDEYPT-NEPJUHHUSA-N -1 1 386.416 0.403 20 0 GCADMM O=C(C[C@@H]1COC(=O)C1)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571268859 945606522 /nfs/dbraw/zinc/60/65/22/945606522.db2.gz KWLKLOXTNDEYPT-RYUDHWBXSA-N -1 1 386.416 0.403 20 0 GCADMM O=C(C[C@@H]1COC(=O)C1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571268859 945606529 /nfs/dbraw/zinc/60/65/29/945606529.db2.gz KWLKLOXTNDEYPT-RYUDHWBXSA-N -1 1 386.416 0.403 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1=COCCO1 ZINC001571269236 945615059 /nfs/dbraw/zinc/61/50/59/945615059.db2.gz STYWNSRSIUUZRG-NWDGAFQWSA-N -1 1 386.416 0.054 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@H]2NC(=O)C2=COCCO2)n1 ZINC001571269289 945617418 /nfs/dbraw/zinc/61/74/18/945617418.db2.gz USBKRURNPXJMBO-NWDGAFQWSA-N -1 1 386.416 0.550 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@H]2NC(=O)C2=COCCO2)n1 ZINC001571269289 945617421 /nfs/dbraw/zinc/61/74/21/945617421.db2.gz USBKRURNPXJMBO-NWDGAFQWSA-N -1 1 386.416 0.550 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1)c1cnns1 ZINC001571269681 945623117 /nfs/dbraw/zinc/62/31/17/945623117.db2.gz CBCMTRZTAKTVKM-MGCOHNPYSA-N -1 1 386.445 0.909 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1)c1cnns1 ZINC001571269681 945623121 /nfs/dbraw/zinc/62/31/21/945623121.db2.gz CBCMTRZTAKTVKM-MGCOHNPYSA-N -1 1 386.445 0.909 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)c3c[nH]c(C)cc3=O)C2)c1-c1nn[n-]n1 ZINC001571269672 945623147 /nfs/dbraw/zinc/62/31/47/945623147.db2.gz BYERKKXFMDEEFK-JTQLQIEISA-N -1 1 386.441 0.637 20 0 GCADMM Cc1csc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)c1 ZINC001571269722 945624478 /nfs/dbraw/zinc/62/44/78/945624478.db2.gz CQNRTAZPQDDYDT-WDEREUQCSA-N -1 1 386.441 0.396 20 0 GCADMM COc1ncc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001571269875 945625519 /nfs/dbraw/zinc/62/55/19/945625519.db2.gz GDEPTZYDRJLEIR-UHFFFAOYSA-N -1 1 386.441 0.683 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H](NC(=O)c3csnn3)C2)n1 ZINC001571269869 945626155 /nfs/dbraw/zinc/62/61/55/945626155.db2.gz FTBVWDYPZQVKIJ-ZJUUUORDSA-N -1 1 386.445 0.970 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H](NC(=O)c3csnn3)C2)n1 ZINC001571269869 945626163 /nfs/dbraw/zinc/62/61/63/945626163.db2.gz FTBVWDYPZQVKIJ-ZJUUUORDSA-N -1 1 386.445 0.970 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O)c1cccs1 ZINC001571270054 945630649 /nfs/dbraw/zinc/63/06/49/945630649.db2.gz LPWSQNWPGUMXBA-AXFHLTTASA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O)c1cccs1 ZINC001571270054 945630656 /nfs/dbraw/zinc/63/06/56/945630656.db2.gz LPWSQNWPGUMXBA-AXFHLTTASA-N -1 1 386.441 0.188 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)c3snnc3C)CC2)n1 ZINC001571270058 945631120 /nfs/dbraw/zinc/63/11/20/945631120.db2.gz LRYXYIKBRFBARQ-UHFFFAOYSA-N -1 1 386.445 0.341 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)c3snnc3C)CC2)n1 ZINC001571270058 945631123 /nfs/dbraw/zinc/63/11/23/945631123.db2.gz LRYXYIKBRFBARQ-UHFFFAOYSA-N -1 1 386.445 0.341 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2cnsn2)CC1 ZINC001571270286 945632657 /nfs/dbraw/zinc/63/26/57/945632657.db2.gz PFTCWHWLHQDEOV-SECBINFHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2cnsn2)CC1 ZINC001571270286 945632662 /nfs/dbraw/zinc/63/26/62/945632662.db2.gz PFTCWHWLHQDEOV-SECBINFHSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270245 945633399 /nfs/dbraw/zinc/63/33/99/945633399.db2.gz OCBZNELZRNBMAL-UWVGGRQHSA-N -1 1 386.445 0.140 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC001571270323 945635015 /nfs/dbraw/zinc/63/50/15/945635015.db2.gz QEGYIKDSGZUCRQ-VHSXEESVSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC001571270323 945635021 /nfs/dbraw/zinc/63/50/21/945635021.db2.gz QEGYIKDSGZUCRQ-VHSXEESVSA-N -1 1 386.445 0.861 20 0 GCADMM O=C(NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)c1cccs1 ZINC001571270359 945635100 /nfs/dbraw/zinc/63/51/00/945635100.db2.gz RGBLRAMWXQAYGI-NSHDSACASA-N -1 1 386.441 0.744 20 0 GCADMM Cc1nsc(N[C@H]2CN(C(=O)c3nccnc3N)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571270318 945635372 /nfs/dbraw/zinc/63/53/72/945635372.db2.gz QDKMHMJIVHGVBC-CBAPKCEASA-N -1 1 386.445 0.576 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2snnc2C)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571270326 945635464 /nfs/dbraw/zinc/63/54/64/945635464.db2.gz QFLHTXMWXPXRBU-VHSXEESVSA-N -1 1 386.445 0.604 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2snnc2C)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571270326 945635467 /nfs/dbraw/zinc/63/54/67/945635467.db2.gz QFLHTXMWXPXRBU-VHSXEESVSA-N -1 1 386.445 0.604 20 0 GCADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)c3nccnc3N)C2)c1-c1nn[n-]n1 ZINC001571270343 945635628 /nfs/dbraw/zinc/63/56/28/945635628.db2.gz QSJNNJSTIZMNTD-KYZUINATSA-N -1 1 386.445 0.624 20 0 GCADMM Cc1nsc(N[C@@H]2CCCN(C(=O)c3nccnc3N)C2)c1-c1nn[n-]n1 ZINC001571270387 945637282 /nfs/dbraw/zinc/63/72/82/945637282.db2.gz SCFOFUKQYRZTDH-SECBINFHSA-N -1 1 386.445 0.721 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270557 945637399 /nfs/dbraw/zinc/63/73/99/945637399.db2.gz UZTXHTYECCSTBU-ZJUUUORDSA-N -1 1 386.445 0.283 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)c3cccnc3)[C@H](O)C2)c1-c1nn[n-]n1 ZINC001571270439 945637490 /nfs/dbraw/zinc/63/74/90/945637490.db2.gz TYYNEZBTVRRGLA-NWDGAFQWSA-N -1 1 386.441 0.396 20 0 GCADMM CCc1nnsc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571270593 945638614 /nfs/dbraw/zinc/63/86/14/945638614.db2.gz WEZZFANYXXOGAF-DTWKUNHWSA-N -1 1 386.445 0.786 20 0 GCADMM CCc1nnsc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571270593 945638620 /nfs/dbraw/zinc/63/86/20/945638620.db2.gz WEZZFANYXXOGAF-DTWKUNHWSA-N -1 1 386.445 0.786 20 0 GCADMM CS(=O)(=O)C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001571270711 945640166 /nfs/dbraw/zinc/64/01/66/945640166.db2.gz ZPPCNGKYIYKUKR-OAHLLOKOSA-N -1 1 386.437 0.706 20 0 GCADMM CS(=O)(=O)C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001571270711 945640173 /nfs/dbraw/zinc/64/01/73/945640173.db2.gz ZPPCNGKYIYKUKR-OAHLLOKOSA-N -1 1 386.437 0.706 20 0 GCADMM CCc1ccsc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001571270649 945640189 /nfs/dbraw/zinc/64/01/89/945640189.db2.gz XPEQFYPUHLMCOP-NEPJUHHUSA-N -1 1 386.441 0.260 20 0 GCADMM CCc1ccsc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571270649 945640194 /nfs/dbraw/zinc/64/01/94/945640194.db2.gz XPEQFYPUHLMCOP-NEPJUHHUSA-N -1 1 386.441 0.260 20 0 GCADMM C[C@@H]1CN(C(=O)c2cnsn2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571270683 945640332 /nfs/dbraw/zinc/64/03/32/945640332.db2.gz YWJQLHCXIRGCCO-NXEZZACHSA-N -1 1 386.445 0.140 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C3(C)CCC3)[C@H](O)C2)n1 ZINC001571272214 945657614 /nfs/dbraw/zinc/65/76/14/945657614.db2.gz BEJUKEVTRGAMPO-DGCLKSJQSA-N -1 1 386.460 0.465 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C3(C)CCC3)[C@H](O)C2)n1 ZINC001571272214 945657619 /nfs/dbraw/zinc/65/76/19/945657619.db2.gz BEJUKEVTRGAMPO-DGCLKSJQSA-N -1 1 386.460 0.465 20 0 GCADMM CN(C(=O)C1CCOCC1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571272264 945658263 /nfs/dbraw/zinc/65/82/63/945658263.db2.gz BXYCASNHECVVPY-UHFFFAOYSA-N -1 1 386.460 0.687 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)CC[C@H]2CCOC2)C1 ZINC001571272397 945662057 /nfs/dbraw/zinc/66/20/57/945662057.db2.gz CWOKDZADPUCFCS-KBPBESRZSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001571272415 945662165 /nfs/dbraw/zinc/66/21/65/945662165.db2.gz DEHMSQWAFMDUDY-MRXNPFEDSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001571272415 945662177 /nfs/dbraw/zinc/66/21/77/945662177.db2.gz DEHMSQWAFMDUDY-MRXNPFEDSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001571272367 945662716 /nfs/dbraw/zinc/66/27/16/945662716.db2.gz CAXMXNVYISNKLV-CZUORRHYSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001571272367 945662720 /nfs/dbraw/zinc/66/27/20/945662720.db2.gz CAXMXNVYISNKLV-CZUORRHYSA-N -1 1 386.460 0.899 20 0 GCADMM CN(C(=O)[C@@]1(C)CCCOC1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571272455 945664034 /nfs/dbraw/zinc/66/40/34/945664034.db2.gz FENVKNVJJPZUTP-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C(=O)[C@@]1(C)CCCOC1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571272455 945664039 /nfs/dbraw/zinc/66/40/39/945664039.db2.gz FENVKNVJJPZUTP-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CO[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C(C)(C)C1CCC1 ZINC001571272590 945665527 /nfs/dbraw/zinc/66/55/27/945665527.db2.gz FPJMRENZGJAGQU-CHWSQXEVSA-N -1 1 386.460 0.803 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)[C@@]1(C)CCCOC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272674 945667423 /nfs/dbraw/zinc/66/74/23/945667423.db2.gz HNQBRXBYKYFAGZ-UGSOOPFHSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)[C@@]1(C)CCCOC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272674 945667426 /nfs/dbraw/zinc/66/74/26/945667426.db2.gz HNQBRXBYKYFAGZ-UGSOOPFHSA-N -1 1 386.460 0.901 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCOCC1 ZINC001571272848 945672935 /nfs/dbraw/zinc/67/29/35/945672935.db2.gz JMBZZXRYSURWOL-KGLIPLIRSA-N -1 1 386.460 0.949 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCOCC1 ZINC001571272848 945672941 /nfs/dbraw/zinc/67/29/41/945672941.db2.gz JMBZZXRYSURWOL-KGLIPLIRSA-N -1 1 386.460 0.949 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)[C@H]3CCCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272870 945673982 /nfs/dbraw/zinc/67/39/82/945673982.db2.gz JSJVBHGNQZREGV-OLZOCXBDSA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(NC[C@H]2CCN(C(=O)[C@H]3CCCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272870 945673987 /nfs/dbraw/zinc/67/39/87/945673987.db2.gz JSJVBHGNQZREGV-OLZOCXBDSA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272871 945674211 /nfs/dbraw/zinc/67/42/11/945674211.db2.gz JSJVBHGNQZREGV-QWHCGFSZSA-N -1 1 386.460 0.906 20 0 GCADMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272871 945674215 /nfs/dbraw/zinc/67/42/15/945674215.db2.gz JSJVBHGNQZREGV-QWHCGFSZSA-N -1 1 386.460 0.906 20 0 GCADMM CN(C[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571272932 945675488 /nfs/dbraw/zinc/67/54/88/945675488.db2.gz LADIEZQTMGZEMX-UONOGXRCSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571272932 945675493 /nfs/dbraw/zinc/67/54/93/945675493.db2.gz LADIEZQTMGZEMX-UONOGXRCSA-N -1 1 386.460 0.758 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@@H]3CCCCO3)[C@H]2C)n1 ZINC001571272928 945675619 /nfs/dbraw/zinc/67/56/19/945675619.db2.gz KZZFTJUIULXVMC-DYEKYZERSA-N -1 1 386.460 0.872 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@@H]3CCCCO3)[C@H]2C)n1 ZINC001571272928 945675628 /nfs/dbraw/zinc/67/56/28/945675628.db2.gz KZZFTJUIULXVMC-DYEKYZERSA-N -1 1 386.460 0.872 20 0 GCADMM CO[C@@H]1CCC[C@H](C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571272951 945675759 /nfs/dbraw/zinc/67/57/59/945675759.db2.gz LOJMIVWQIDKVIV-GXTWGEPZSA-N -1 1 386.460 0.687 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)C ZINC001571273030 945677109 /nfs/dbraw/zinc/67/71/09/945677109.db2.gz NJUZZPPFZDICHU-RDTXWAMCSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)C ZINC001571273030 945677116 /nfs/dbraw/zinc/67/71/16/945677116.db2.gz NJUZZPPFZDICHU-RDTXWAMCSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)C ZINC001571273028 945677232 /nfs/dbraw/zinc/67/72/32/945677232.db2.gz NJUZZPPFZDICHU-KDOFPFPSSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)C ZINC001571273028 945677238 /nfs/dbraw/zinc/67/72/38/945677238.db2.gz NJUZZPPFZDICHU-KDOFPFPSSA-N -1 1 386.460 0.757 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1CCCCCCC1 ZINC001571273073 945677949 /nfs/dbraw/zinc/67/79/49/945677949.db2.gz OMKBHPXPFRWETO-HUUCEWRRSA-N -1 1 386.460 0.683 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1CCCCCCC1 ZINC001571273073 945677954 /nfs/dbraw/zinc/67/79/54/945677954.db2.gz OMKBHPXPFRWETO-HUUCEWRRSA-N -1 1 386.460 0.683 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001571273110 945679773 /nfs/dbraw/zinc/67/97/73/945679773.db2.gz PLSKJEBHFJTGTO-DZGCQCFKSA-N -1 1 386.460 0.687 20 0 GCADMM CN(C[C@H]1CCN(C(=O)C2(C)CCOCC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571273137 945680183 /nfs/dbraw/zinc/68/01/83/945680183.db2.gz QBSGYWRSKIIYQT-CYBMUJFWSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@H]1CCN(C(=O)C2(C)CCOCC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571273137 945680188 /nfs/dbraw/zinc/68/01/88/945680188.db2.gz QBSGYWRSKIIYQT-CYBMUJFWSA-N -1 1 386.460 0.758 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1CCCCCC1 ZINC001571273117 945680441 /nfs/dbraw/zinc/68/04/41/945680441.db2.gz PNNJNEIYQYYNNY-ZFWWWQNUSA-N -1 1 386.460 0.683 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1CCCCCC1 ZINC001571273117 945680445 /nfs/dbraw/zinc/68/04/45/945680445.db2.gz PNNJNEIYQYYNNY-ZFWWWQNUSA-N -1 1 386.460 0.683 20 0 GCADMM COC1CC(C(=O)N2CCCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571273177 945681540 /nfs/dbraw/zinc/68/15/40/945681540.db2.gz RUAJOJKDPHUYCI-MOKVOYLWSA-N -1 1 386.460 0.899 20 0 GCADMM COC1CC(C(=O)N2CCCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571273177 945681548 /nfs/dbraw/zinc/68/15/48/945681548.db2.gz RUAJOJKDPHUYCI-MOKVOYLWSA-N -1 1 386.460 0.899 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCO[C@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571273229 945681654 /nfs/dbraw/zinc/68/16/54/945681654.db2.gz SWVSEVMODLDBHZ-ZDEQEGDKSA-N -1 1 386.460 0.951 20 0 GCADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3CCO[C@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571273229 945681660 /nfs/dbraw/zinc/68/16/60/945681660.db2.gz SWVSEVMODLDBHZ-ZDEQEGDKSA-N -1 1 386.460 0.951 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273332 945685441 /nfs/dbraw/zinc/68/54/41/945685441.db2.gz VPNXGVXVHWVTSX-QWHCGFSZSA-N -1 1 386.460 0.588 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273332 945685448 /nfs/dbraw/zinc/68/54/48/945685448.db2.gz VPNXGVXVHWVTSX-QWHCGFSZSA-N -1 1 386.460 0.588 20 0 GCADMM CO[C@@H]1CCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273355 945685491 /nfs/dbraw/zinc/68/54/91/945685491.db2.gz WCEQXSPUHHCRJM-DZGCQCFKSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H]1CCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273355 945685498 /nfs/dbraw/zinc/68/54/98/945685498.db2.gz WCEQXSPUHHCRJM-DZGCQCFKSA-N -1 1 386.460 0.899 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273330 945686004 /nfs/dbraw/zinc/68/60/04/945686004.db2.gz VPNXGVXVHWVTSX-CHWSQXEVSA-N -1 1 386.460 0.588 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273330 945686013 /nfs/dbraw/zinc/68/60/13/945686013.db2.gz VPNXGVXVHWVTSX-CHWSQXEVSA-N -1 1 386.460 0.588 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC(C)(C)[C@@H](C)O ZINC001571273466 945687943 /nfs/dbraw/zinc/68/79/43/945687943.db2.gz XWQXFDJMWRVRDY-GFCCVEGCSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC(C)(C)[C@@H](C)O ZINC001571273466 945687947 /nfs/dbraw/zinc/68/79/47/945687947.db2.gz XWQXFDJMWRVRDY-GFCCVEGCSA-N -1 1 386.460 0.982 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)CC2(O)CCC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571273419 945689046 /nfs/dbraw/zinc/68/90/46/945689046.db2.gz XJIJXOSVJNHZHW-CYBMUJFWSA-N -1 1 386.460 0.637 20 0 GCADMM CO[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001571273554 945689578 /nfs/dbraw/zinc/68/95/78/945689578.db2.gz ZTYAWZCZKNCJAE-BBRMVZONSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001571273554 945689585 /nfs/dbraw/zinc/68/95/85/945689585.db2.gz ZTYAWZCZKNCJAE-BBRMVZONSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001571273557 945690858 /nfs/dbraw/zinc/69/08/58/945690858.db2.gz ZTYAWZCZKNCJAE-XJKSGUPXSA-N -1 1 386.460 0.899 20 0 GCADMM CO[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001571273557 945690862 /nfs/dbraw/zinc/69/08/62/945690862.db2.gz ZTYAWZCZKNCJAE-XJKSGUPXSA-N -1 1 386.460 0.899 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(C(F)F)nc1 ZINC001571274815 945700841 /nfs/dbraw/zinc/70/08/41/945700841.db2.gz LQVWBRHKAFMXEO-JTQLQIEISA-N -1 1 387.354 0.998 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(C(F)F)nc1 ZINC001571274815 945700848 /nfs/dbraw/zinc/70/08/48/945700848.db2.gz LQVWBRHKAFMXEO-JTQLQIEISA-N -1 1 387.354 0.998 20 0 GCADMM CC1(C)CC[C@H](CC(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)OC1 ZINC001571275683 945710928 /nfs/dbraw/zinc/71/09/28/945710928.db2.gz AQGJCJSBCJSOMA-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@H](CC(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)OC1 ZINC001571275683 945710933 /nfs/dbraw/zinc/71/09/33/945710933.db2.gz AQGJCJSBCJSOMA-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@@H](CC(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)OC1 ZINC001571275686 945711080 /nfs/dbraw/zinc/71/10/80/945711080.db2.gz AQGJCJSBCJSOMA-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CC[C@@H](CC(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)OC1 ZINC001571275686 945711088 /nfs/dbraw/zinc/71/10/88/945711088.db2.gz AQGJCJSBCJSOMA-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@H]1C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571275762 945713571 /nfs/dbraw/zinc/71/35/71/945713571.db2.gz BXXWQKPSNXZLFP-MQYQWHSLSA-N -1 1 386.460 0.591 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCCO1 ZINC001571275847 945716419 /nfs/dbraw/zinc/71/64/19/945716419.db2.gz DDSGRKSGYDWECJ-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCCO1 ZINC001571275847 945716422 /nfs/dbraw/zinc/71/64/22/945716422.db2.gz DDSGRKSGYDWECJ-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CCn1c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2[nH]c(=O)c1=O ZINC000821563822 945717441 /nfs/dbraw/zinc/71/74/41/945717441.db2.gz HCXYZIOFJRTOOJ-UHFFFAOYSA-N -1 1 393.363 0.848 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCOCC1 ZINC001571275907 945718383 /nfs/dbraw/zinc/71/83/83/945718383.db2.gz FGRYVUHDCPTCEU-UHFFFAOYSA-N -1 1 386.460 0.758 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571275872 945718756 /nfs/dbraw/zinc/71/87/56/945718756.db2.gz DWCOZWAWVUWITN-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571275872 945718759 /nfs/dbraw/zinc/71/87/59/945718759.db2.gz DWCOZWAWVUWITN-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)NC(C)(C)c3ncon3)CC2)o1 ZINC001571275951 945720882 /nfs/dbraw/zinc/72/08/82/945720882.db2.gz AASDJCAPORVASO-UHFFFAOYSA-N -1 1 387.404 0.814 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(CCO)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001571276067 945722063 /nfs/dbraw/zinc/72/20/63/945722063.db2.gz GUPVJDBQQMGRNE-JSGCOSHPSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(CCO)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001571276067 945722071 /nfs/dbraw/zinc/72/20/71/945722071.db2.gz GUPVJDBQQMGRNE-JSGCOSHPSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001571276056 945722757 /nfs/dbraw/zinc/72/27/57/945722757.db2.gz GOBYRBKFJDWJJF-CHWSQXEVSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001571276056 945722764 /nfs/dbraw/zinc/72/27/64/945722764.db2.gz GOBYRBKFJDWJJF-CHWSQXEVSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1C[C@H](C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001571276103 945725323 /nfs/dbraw/zinc/72/53/23/945725323.db2.gz HFFNGUPEFVJYCZ-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1C[C@H](C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001571276103 945725330 /nfs/dbraw/zinc/72/53/30/945725330.db2.gz HFFNGUPEFVJYCZ-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571277490 945742777 /nfs/dbraw/zinc/74/27/77/945742777.db2.gz KRMJBKYKBJRQRF-NFAWXSAZSA-N -1 1 386.460 0.804 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571277490 945742787 /nfs/dbraw/zinc/74/27/87/945742787.db2.gz KRMJBKYKBJRQRF-NFAWXSAZSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001571277610 945744814 /nfs/dbraw/zinc/74/48/14/945744814.db2.gz MLZHNPQMCACDAN-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001571277610 945744823 /nfs/dbraw/zinc/74/48/23/945744823.db2.gz MLZHNPQMCACDAN-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM CC[C@@H](OC)C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571277629 945745164 /nfs/dbraw/zinc/74/51/64/945745164.db2.gz MPJTZKUHHDSMLX-FZKQIMNGSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)nn1C ZINC001571278289 945751333 /nfs/dbraw/zinc/75/13/33/945751333.db2.gz WZWHDIDDQSYSEB-UHFFFAOYSA-N -1 1 387.404 0.850 20 0 GCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)nn1C ZINC001571278289 945751343 /nfs/dbraw/zinc/75/13/43/945751343.db2.gz WZWHDIDDQSYSEB-UHFFFAOYSA-N -1 1 387.404 0.850 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571278634 945755490 /nfs/dbraw/zinc/75/54/90/945755490.db2.gz PVAIYCYIUOVSHR-OCCSQVGLSA-N -1 1 386.460 0.402 20 0 GCADMM CCOC1CC(C(=O)NC2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571278657 945758233 /nfs/dbraw/zinc/75/82/33/945758233.db2.gz QHZXHJHBIRYFKP-UHFFFAOYSA-N -1 1 386.460 0.865 20 0 GCADMM CCOC1CC(C(=O)NC2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571278657 945758237 /nfs/dbraw/zinc/75/82/37/945758237.db2.gz QHZXHJHBIRYFKP-UHFFFAOYSA-N -1 1 386.460 0.865 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571278656 945759049 /nfs/dbraw/zinc/75/90/49/945759049.db2.gz QFEQECDIPBCLJT-MNOVXSKESA-N -1 1 386.460 0.395 20 0 GCADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)c1-c1nn[n-]n1 ZINC001571278798 945760102 /nfs/dbraw/zinc/76/01/02/945760102.db2.gz CHQLCEMKSNFZDV-VIFPVBQESA-N -1 1 387.429 0.432 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1csc(=O)[nH]1 ZINC001571278864 945761945 /nfs/dbraw/zinc/76/19/45/945761945.db2.gz DTNYBRLEUGUUOB-RKDXNWHRSA-N -1 1 387.429 0.829 20 0 GCADMM O=C(c1csc(=O)[nH]1)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571279204 945771625 /nfs/dbraw/zinc/77/16/25/945771625.db2.gz KZSJOJSDYWDXKZ-SECBINFHSA-N -1 1 387.429 0.783 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)c2ccns2)CCO1 ZINC001571279228 945773375 /nfs/dbraw/zinc/77/33/75/945773375.db2.gz LSWBBDPTOZDFSR-GXSJLCMTSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)c2ccns2)CCO1 ZINC001571279228 945773380 /nfs/dbraw/zinc/77/33/80/945773380.db2.gz LSWBBDPTOZDFSR-GXSJLCMTSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CN(C(=O)c2ccsn2)CCO1 ZINC001571279238 945773645 /nfs/dbraw/zinc/77/36/45/945773645.db2.gz LUWHQHUCNHZNKD-SKDRFNHKSA-N -1 1 387.429 0.455 20 0 GCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CN(C(=O)c2ccsn2)CCO1 ZINC001571279238 945773652 /nfs/dbraw/zinc/77/36/52/945773652.db2.gz LUWHQHUCNHZNKD-SKDRFNHKSA-N -1 1 387.429 0.455 20 0 GCADMM CCC(C)(C)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571279312 945775208 /nfs/dbraw/zinc/77/52/08/945775208.db2.gz UQOZJGAVDUGTPX-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM CCC(C)(C)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571279312 945775219 /nfs/dbraw/zinc/77/52/19/945775219.db2.gz UQOZJGAVDUGTPX-GOSISDBHSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571279342 945775279 /nfs/dbraw/zinc/77/52/79/945775279.db2.gz VHZQVPGYXVCIHE-GXTWGEPZSA-N -1 1 386.460 0.544 20 0 GCADMM CC[C@H](C)C(=O)N1CCOC2(CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571279353 945775352 /nfs/dbraw/zinc/77/53/52/945775352.db2.gz VNCLTDVMMUAZIJ-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@H](C)C(=O)N1CCOC2(CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571279353 945775355 /nfs/dbraw/zinc/77/53/55/945775355.db2.gz VNCLTDVMMUAZIJ-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM Cc1nsc(N[C@@H]2C[C@H](C)N(C(=O)c3cn[nH]c(=O)c3)C2)c1-c1nn[n-]n1 ZINC001571279301 945775371 /nfs/dbraw/zinc/77/53/71/945775371.db2.gz NNLJWPPCBNQPRS-OIBJUYFYSA-N -1 1 387.429 0.842 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001571279423 945777565 /nfs/dbraw/zinc/77/75/65/945777565.db2.gz OFQPSUFGHMWJPW-SNVBAGLBSA-N -1 1 387.443 0.048 20 0 GCADMM O=C(c1cscn1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571279485 945779796 /nfs/dbraw/zinc/77/97/96/945779796.db2.gz PYRLQCPXSDNNOX-SNVBAGLBSA-N -1 1 387.429 0.456 20 0 GCADMM O=C(c1cscn1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571279485 945779805 /nfs/dbraw/zinc/77/98/05/945779805.db2.gz PYRLQCPXSDNNOX-SNVBAGLBSA-N -1 1 387.429 0.456 20 0 GCADMM Cc1ncc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571279512 945779869 /nfs/dbraw/zinc/77/98/69/945779869.db2.gz QWQNEGFEJFYXIQ-JTQLQIEISA-N -1 1 387.429 0.375 20 0 GCADMM Cc1ncc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571279512 945779874 /nfs/dbraw/zinc/77/98/74/945779874.db2.gz QWQNEGFEJFYXIQ-JTQLQIEISA-N -1 1 387.429 0.375 20 0 GCADMM C[C@H]1CN(C(=O)c2csc(=O)[nH]2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571279501 945780302 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DFSMXOKDGWUBHK-OCCSQVGLSA-N -1 1 388.432 0.031 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001571286294 945943079 /nfs/dbraw/zinc/94/30/79/945943079.db2.gz DFSMXOKDGWUBHK-OCCSQVGLSA-N -1 1 388.432 0.031 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001573462774 945945514 /nfs/dbraw/zinc/94/55/14/945945514.db2.gz MZSIOYPYTCDZDI-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001573462774 945945522 /nfs/dbraw/zinc/94/55/22/945945522.db2.gz MZSIOYPYTCDZDI-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM O=C(CC1OCCCO1)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286460 945947206 /nfs/dbraw/zinc/94/72/06/945947206.db2.gz IIJKXMAFKZNOJR-GFCCVEGCSA-N -1 1 388.432 0.460 20 0 GCADMM O=C(CC1OCCCO1)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286460 945947214 /nfs/dbraw/zinc/94/72/14/945947214.db2.gz IIJKXMAFKZNOJR-GFCCVEGCSA-N -1 1 388.432 0.460 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573462899 945947778 /nfs/dbraw/zinc/94/77/78/945947778.db2.gz OGPUGBKVCGKYGJ-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573462899 945947784 /nfs/dbraw/zinc/94/77/84/945947784.db2.gz OGPUGBKVCGKYGJ-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)CC3OCCCO3)C2)n1 ZINC001571286468 945948062 /nfs/dbraw/zinc/94/80/62/945948062.db2.gz IRZQXNNJORQTNF-LLVKDONJSA-N -1 1 388.432 0.067 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)CC3OCCCO3)C2)n1 ZINC001571286468 945948066 /nfs/dbraw/zinc/94/80/66/945948066.db2.gz IRZQXNNJORQTNF-LLVKDONJSA-N -1 1 388.432 0.067 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573463141 945949827 /nfs/dbraw/zinc/94/98/27/945949827.db2.gz RDCHUHZITHEVGD-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573463141 945949835 /nfs/dbraw/zinc/94/98/35/945949835.db2.gz RDCHUHZITHEVGD-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H]1c1ccccc1 ZINC001571286616 945952405 /nfs/dbraw/zinc/95/24/05/945952405.db2.gz MKLTUUUZTCWMSJ-NWDGAFQWSA-N -1 1 388.409 0.349 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573463366 945954092 /nfs/dbraw/zinc/95/40/92/945954092.db2.gz VURZFPYODPMDNI-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573463366 945954107 /nfs/dbraw/zinc/95/41/07/945954107.db2.gz VURZFPYODPMDNI-RYUDHWBXSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573463740 945960637 /nfs/dbraw/zinc/96/06/37/945960637.db2.gz ABQYKYKEVCXQAM-VXGBXAGGSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573463740 945960643 /nfs/dbraw/zinc/96/06/43/945960643.db2.gz ABQYKYKEVCXQAM-VXGBXAGGSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573463718 945961057 /nfs/dbraw/zinc/96/10/57/945961057.db2.gz ZWLSNNXSQYGMKO-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573463718 945961063 /nfs/dbraw/zinc/96/10/63/945961063.db2.gz ZWLSNNXSQYGMKO-JQWIXIFHSA-N -1 1 387.448 0.045 20 0 GCADMM O=C(CO[C@@H]1CCOC1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571286935 945962715 /nfs/dbraw/zinc/96/27/15/945962715.db2.gz WFMHABAYPBXVPZ-CHWSQXEVSA-N -1 1 388.432 0.255 20 0 GCADMM O=C(CO[C@@H]1CCOC1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571286935 945962721 /nfs/dbraw/zinc/96/27/21/945962721.db2.gz WFMHABAYPBXVPZ-CHWSQXEVSA-N -1 1 388.432 0.255 20 0 GCADMM O=C([C@H]1COCCO1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571286976 945966103 /nfs/dbraw/zinc/96/61/03/945966103.db2.gz XBIMYEOEJMFEFY-QWHCGFSZSA-N -1 1 388.432 0.255 20 0 GCADMM O=C([C@H]1COCCO1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571286976 945966110 /nfs/dbraw/zinc/96/61/10/945966110.db2.gz XBIMYEOEJMFEFY-QWHCGFSZSA-N -1 1 388.432 0.255 20 0 GCADMM C[C@@H]1CN(C(=O)CC2OCCCO2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571286998 945966161 /nfs/dbraw/zinc/96/61/61/945966161.db2.gz XPOLBTNAXLWPHI-VXGBXAGGSA-N -1 1 388.432 0.459 20 0 GCADMM C[C@@H]1CN(C(=O)CC2OCCCO2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571286998 945966166 /nfs/dbraw/zinc/96/61/66/945966166.db2.gz XPOLBTNAXLWPHI-VXGBXAGGSA-N -1 1 388.432 0.459 20 0 GCADMM CCSCc1ccnc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001571287076 945967586 /nfs/dbraw/zinc/96/75/86/945967586.db2.gz ZVNHRXUIQUJUIS-UHFFFAOYSA-N -1 1 388.413 0.416 20 0 GCADMM O=C([C@H]1[C@@H]2c3ccccc3C[C@H]12)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571287434 945972007 /nfs/dbraw/zinc/97/20/07/945972007.db2.gz DJSNWGJFXINUBE-BMGDILEWSA-N -1 1 388.435 0.891 20 0 GCADMM O=C([C@H]1[C@@H]2c3ccccc3C[C@H]12)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571287434 945972017 /nfs/dbraw/zinc/97/20/17/945972017.db2.gz DJSNWGJFXINUBE-BMGDILEWSA-N -1 1 388.435 0.891 20 0 GCADMM O=C([C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571287435 945973257 /nfs/dbraw/zinc/97/32/57/945973257.db2.gz DJSNWGJFXINUBE-FHLIZLRMSA-N -1 1 388.435 0.891 20 0 GCADMM O=C([C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571287435 945973263 /nfs/dbraw/zinc/97/32/63/945973263.db2.gz DJSNWGJFXINUBE-FHLIZLRMSA-N -1 1 388.435 0.891 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573465496 945973726 /nfs/dbraw/zinc/97/37/26/945973726.db2.gz ZUGGMSRWUWHPAK-VXGBXAGGSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573465496 945973733 /nfs/dbraw/zinc/97/37/33/945973733.db2.gz ZUGGMSRWUWHPAK-VXGBXAGGSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573467366 945980108 /nfs/dbraw/zinc/98/01/08/945980108.db2.gz CITMCASKRQDPQX-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573467366 945980113 /nfs/dbraw/zinc/98/01/13/945980113.db2.gz CITMCASKRQDPQX-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573467800 945986570 /nfs/dbraw/zinc/98/65/70/945986570.db2.gz IGXMWXXCOVERJN-QFWMXSHPSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573467800 945986582 /nfs/dbraw/zinc/98/65/82/945986582.db2.gz IGXMWXXCOVERJN-QFWMXSHPSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573467809 945986851 /nfs/dbraw/zinc/98/68/51/945986851.db2.gz IOJANJLQCBSKQI-PKSQDBQZSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573467809 945986856 /nfs/dbraw/zinc/98/68/56/945986856.db2.gz IOJANJLQCBSKQI-PKSQDBQZSA-N -1 1 387.448 0.363 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573468161 945991174 /nfs/dbraw/zinc/99/11/74/945991174.db2.gz LHYYLXSSXQFUKR-SNVBAGLBSA-N -1 1 392.489 0.583 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573468155 945991728 /nfs/dbraw/zinc/99/17/28/945991728.db2.gz LFBMNZBDKNGKIS-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573468155 945991740 /nfs/dbraw/zinc/99/17/40/945991740.db2.gz LFBMNZBDKNGKIS-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573468630 945997390 /nfs/dbraw/zinc/99/73/90/945997390.db2.gz PZZOKUHYJLLATP-JOYOIKCWSA-N -1 1 392.489 0.805 20 0 GCADMM Cc1nsc(N(C)C2CCN(C(=O)c3cnnn3C)CC2)c1-c1nn[n-]n1 ZINC001571289384 946003390 /nfs/dbraw/zinc/00/33/90/946003390.db2.gz BFDHVJWNSXSGOL-UHFFFAOYSA-N -1 1 388.461 0.501 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573469827 946010270 /nfs/dbraw/zinc/01/02/70/946010270.db2.gz XUMWZRRDJQXMSR-KOLCDFICSA-N -1 1 378.462 0.193 20 0 GCADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2nnn(C)c2C)c1-c1nn[n-]n1 ZINC001571289796 946017322 /nfs/dbraw/zinc/01/73/22/946017322.db2.gz MRMFLZXZWFWYBF-SNVBAGLBSA-N -1 1 388.461 0.785 20 0 GCADMM CCn1ncc(C(=O)N(C)[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571289864 946019150 /nfs/dbraw/zinc/01/91/50/946019150.db2.gz OIFGZALTTNVTKK-JTQLQIEISA-N -1 1 388.461 0.594 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)n1 ZINC001571289903 946022354 /nfs/dbraw/zinc/02/23/54/946022354.db2.gz PIBZOMOKIOKXBD-BLLLJJGKSA-N -1 1 388.476 0.521 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)n1 ZINC001571289903 946022364 /nfs/dbraw/zinc/02/23/64/946022364.db2.gz PIBZOMOKIOKXBD-BLLLJJGKSA-N -1 1 388.476 0.521 20 0 GCADMM Cc1nsc(N2CCCC[C@@H]2CNC(=O)c2ncn(C)n2)c1-c1nn[n-]n1 ZINC001571289939 946023492 /nfs/dbraw/zinc/02/34/92/946023492.db2.gz QHSGHJYBDTUWHU-SNVBAGLBSA-N -1 1 388.461 0.549 20 0 GCADMM Cc1nsc(N(C)C[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)c1-c1nn[n-]n1 ZINC001571290023 946027100 /nfs/dbraw/zinc/02/71/00/946027100.db2.gz SVRIEDQUGDEELC-JTQLQIEISA-N -1 1 388.461 0.738 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001571290112 946027657 /nfs/dbraw/zinc/02/76/57/946027657.db2.gz VMHBECSMRGVELH-VIFPVBQESA-N -1 1 388.461 0.703 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573470654 946033083 /nfs/dbraw/zinc/03/30/83/946033083.db2.gz IJKXYUJHZIVFGW-AAEUAGOBSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573470654 946033093 /nfs/dbraw/zinc/03/30/93/946033093.db2.gz IJKXYUJHZIVFGW-AAEUAGOBSA-N -1 1 387.448 0.140 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)[nH]n1 ZINC001571290286 946034173 /nfs/dbraw/zinc/03/41/73/946034173.db2.gz ZRYMILTYYBCGEG-LLVKDONJSA-N -1 1 388.457 0.591 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573470843 946036190 /nfs/dbraw/zinc/03/61/90/946036190.db2.gz KASTYOFVQRMRDZ-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573470843 946036204 /nfs/dbraw/zinc/03/62/04/946036204.db2.gz KASTYOFVQRMRDZ-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573470837 946036231 /nfs/dbraw/zinc/03/62/31/946036231.db2.gz KASTYOFVQRMRDZ-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573470837 946036247 /nfs/dbraw/zinc/03/62/47/946036247.db2.gz KASTYOFVQRMRDZ-GHMZBOCLSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573470896 946037181 /nfs/dbraw/zinc/03/71/81/946037181.db2.gz KOYPHMCSOPLFBI-SECBINFHSA-N -1 1 378.462 0.559 20 0 GCADMM CCn1ncc(Cl)c1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571290311 946038755 /nfs/dbraw/zinc/03/87/55/946038755.db2.gz AFAIKSBTTMXYLD-VIFPVBQESA-N -1 1 388.823 0.535 20 0 GCADMM CCn1ncc(Cl)c1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571290311 946038767 /nfs/dbraw/zinc/03/87/67/946038767.db2.gz AFAIKSBTTMXYLD-VIFPVBQESA-N -1 1 388.823 0.535 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573470922 946040687 /nfs/dbraw/zinc/04/06/87/946040687.db2.gz LCKXBOUVKXVHSZ-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573470922 946040704 /nfs/dbraw/zinc/04/07/04/946040704.db2.gz LCKXBOUVKXVHSZ-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM Cn1ncc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1Cl ZINC001571290397 946040762 /nfs/dbraw/zinc/04/07/62/946040762.db2.gz CVOHGTQGPKULBY-SECBINFHSA-N -1 1 388.823 0.182 20 0 GCADMM CCn1ncc(Cl)c1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290571 946046947 /nfs/dbraw/zinc/04/69/47/946046947.db2.gz IZMGORQXINQYPN-VIFPVBQESA-N -1 1 388.823 0.275 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290569 946048700 /nfs/dbraw/zinc/04/87/00/946048700.db2.gz IZHPWUWOSRBESQ-OAHLLOKOSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290569 946048713 /nfs/dbraw/zinc/04/87/13/946048713.db2.gz IZHPWUWOSRBESQ-OAHLLOKOSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(Cl)n1 ZINC001571290691 946050667 /nfs/dbraw/zinc/05/06/67/946050667.db2.gz MDZCYDLIIRPMKU-VIFPVBQESA-N -1 1 388.823 0.760 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(Cl)n1 ZINC001571290691 946050676 /nfs/dbraw/zinc/05/06/76/946050676.db2.gz MDZCYDLIIRPMKU-VIFPVBQESA-N -1 1 388.823 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nn[n-]n1 ZINC001573471463 946051186 /nfs/dbraw/zinc/05/11/86/946051186.db2.gz PBTUVRMRAFXLCN-ZMLRMANQSA-N -1 1 390.473 0.336 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571290866 946059696 /nfs/dbraw/zinc/05/96/96/946059696.db2.gz RGWDKYQAYGIXCF-LDYMZIIASA-N -1 1 388.823 0.616 20 0 GCADMM C[C@@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571290866 946059711 /nfs/dbraw/zinc/05/97/11/946059711.db2.gz RGWDKYQAYGIXCF-LDYMZIIASA-N -1 1 388.823 0.616 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290988 946061583 /nfs/dbraw/zinc/06/15/83/946061583.db2.gz WSMJRUAIJNVUPS-VIFPVBQESA-N -1 1 388.823 0.760 20 0 GCADMM Cn1ncc(Cl)c1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290988 946061596 /nfs/dbraw/zinc/06/15/96/946061596.db2.gz WSMJRUAIJNVUPS-VIFPVBQESA-N -1 1 388.823 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573472331 946065110 /nfs/dbraw/zinc/06/51/10/946065110.db2.gz VNHNHTNLDHUVSN-DGCLKSJQSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573472331 946065120 /nfs/dbraw/zinc/06/51/20/946065120.db2.gz VNHNHTNLDHUVSN-DGCLKSJQSA-N -1 1 387.448 0.283 20 0 GCADMM Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571291037 946065324 /nfs/dbraw/zinc/06/53/24/946065324.db2.gz YPOGRPMNTWIECK-VIFPVBQESA-N -1 1 388.823 0.361 20 0 GCADMM Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571291037 946065336 /nfs/dbraw/zinc/06/53/36/946065336.db2.gz YPOGRPMNTWIECK-VIFPVBQESA-N -1 1 388.823 0.361 20 0 GCADMM Cn1c(Cl)ncc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571291030 946065550 /nfs/dbraw/zinc/06/55/50/946065550.db2.gz YKNZJJAJLPTYKN-VIFPVBQESA-N -1 1 388.823 0.182 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571291022 946065617 /nfs/dbraw/zinc/06/56/17/946065617.db2.gz YGIGBJAVSCDMIN-HNNXBMFYSA-N -1 1 388.823 0.740 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571291022 946065624 /nfs/dbraw/zinc/06/56/24/946065624.db2.gz YGIGBJAVSCDMIN-HNNXBMFYSA-N -1 1 388.823 0.740 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573473491 946078500 /nfs/dbraw/zinc/07/85/00/946078500.db2.gz DMRFFLXAQXVOKO-PWSUYJOCSA-N -1 1 392.489 0.949 20 0 GCADMM Cc1csc(=O)n1CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822409098 946083938 /nfs/dbraw/zinc/08/39/38/946083938.db2.gz LYTCUDOSKQNEHR-UHFFFAOYSA-N -1 1 391.461 0.185 20 0 GCADMM Cc1csc(=O)n1CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822409098 946083950 /nfs/dbraw/zinc/08/39/50/946083950.db2.gz LYTCUDOSKQNEHR-UHFFFAOYSA-N -1 1 391.461 0.185 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001573474096 946085670 /nfs/dbraw/zinc/08/56/70/946085670.db2.gz IIISSEBTFNYYSG-ZMLRMANQSA-N -1 1 390.473 0.193 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573474297 946088350 /nfs/dbraw/zinc/08/83/50/946088350.db2.gz KEDFHNUTDUKCJE-SNVBAGLBSA-N -1 1 378.462 0.195 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573475189 946097620 /nfs/dbraw/zinc/09/76/20/946097620.db2.gz QEKIOYNTQQMNJW-NQBHXWOUSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573475189 946097633 /nfs/dbraw/zinc/09/76/33/946097633.db2.gz QEKIOYNTQQMNJW-NQBHXWOUSA-N -1 1 387.448 0.078 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C[C@H]2O)co1 ZINC001571293202 946098597 /nfs/dbraw/zinc/09/85/97/946098597.db2.gz BBXUXPRFASJROL-NWDGAFQWSA-N -1 1 389.441 0.903 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573475657 946103202 /nfs/dbraw/zinc/10/32/02/946103202.db2.gz WOLRCNWCJWOFGU-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573475657 946103209 /nfs/dbraw/zinc/10/32/09/946103209.db2.gz WOLRCNWCJWOFGU-DGCLKSJQSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573475746 946104576 /nfs/dbraw/zinc/10/45/76/946104576.db2.gz AJMXVJATDFPOKE-BQBZGAKWSA-N -1 1 386.869 0.665 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573475757 946105238 /nfs/dbraw/zinc/10/52/38/946105238.db2.gz XGFRNUMRVRKWSI-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573475757 946105241 /nfs/dbraw/zinc/10/52/41/946105241.db2.gz XGFRNUMRVRKWSI-AAEUAGOBSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573475891 946106224 /nfs/dbraw/zinc/10/62/24/946106224.db2.gz XGFRNUMRVRKWSI-YPMHNXCESA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573475891 946106236 /nfs/dbraw/zinc/10/62/36/946106236.db2.gz XGFRNUMRVRKWSI-YPMHNXCESA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573475947 946109753 /nfs/dbraw/zinc/10/97/53/946109753.db2.gz XUCSFAOJFQGXRQ-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573475947 946109757 /nfs/dbraw/zinc/10/97/57/946109757.db2.gz XUCSFAOJFQGXRQ-SVRRBLITSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573476028 946111251 /nfs/dbraw/zinc/11/12/51/946111251.db2.gz CHVDSRYONPIGQB-XPUUQOCRSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573476154 946114131 /nfs/dbraw/zinc/11/41/31/946114131.db2.gz ZZYXJRHDMZUFKA-MWLCHTKSSA-N -1 1 378.462 0.559 20 0 GCADMM CC[C@@H](F)C(=O)N1CCN([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571293831 946117599 /nfs/dbraw/zinc/11/75/99/946117599.db2.gz SUISTENYRGIHTP-QWHCGFSZSA-N -1 1 389.439 0.128 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1(CNc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573476388 946118023 /nfs/dbraw/zinc/11/80/23/946118023.db2.gz GEPOZUUCQPXZGJ-SNVBAGLBSA-N -1 1 392.489 0.997 20 0 GCADMM Cc1nnc(CC(=O)N2CCC[C@H]2CNc2snc(C)c2-c2nn[n-]n2)o1 ZINC001571294036 946122250 /nfs/dbraw/zinc/12/22/50/946122250.db2.gz YTHZEXYJGUWFBE-JTQLQIEISA-N -1 1 389.445 0.969 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573476857 946125878 /nfs/dbraw/zinc/12/58/78/946125878.db2.gz JZNZYNZRGNGIPI-MFKMUULPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573476857 946125886 /nfs/dbraw/zinc/12/58/86/946125886.db2.gz JZNZYNZRGNGIPI-MFKMUULPSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@]1(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)CCC(=O)NC1 ZINC001571294162 946128230 /nfs/dbraw/zinc/12/82/30/946128230.db2.gz BTUZHLIFEMDRFZ-KRWDZBQOSA-N -1 1 389.485 0.489 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573477254 946130148 /nfs/dbraw/zinc/13/01/48/946130148.db2.gz NLAQKLMZTAYILC-PSLIRLAXSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573477292 946131633 /nfs/dbraw/zinc/13/16/33/946131633.db2.gz OBFVVJTVZYLGPF-JHVJFKRDSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573477292 946131644 /nfs/dbraw/zinc/13/16/44/946131644.db2.gz OBFVVJTVZYLGPF-JHVJFKRDSA-N -1 1 385.432 0.021 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573477421 946133527 /nfs/dbraw/zinc/13/35/27/946133527.db2.gz QMYNXVXLTDFDHD-MFKMUULPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573477421 946133537 /nfs/dbraw/zinc/13/35/37/946133537.db2.gz QMYNXVXLTDFDHD-MFKMUULPSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573477459 946137280 /nfs/dbraw/zinc/13/72/80/946137280.db2.gz RAHHBDWIFUDZLM-HTRCEHHLSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573477459 946137286 /nfs/dbraw/zinc/13/72/86/946137286.db2.gz RAHHBDWIFUDZLM-HTRCEHHLSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573477792 946142725 /nfs/dbraw/zinc/14/27/25/946142725.db2.gz UDHMLDOCKDVLTF-SKDRFNHKSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573477792 946142732 /nfs/dbraw/zinc/14/27/32/946142732.db2.gz UDHMLDOCKDVLTF-SKDRFNHKSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573477809 946142749 /nfs/dbraw/zinc/14/27/49/946142749.db2.gz UHPBHMIJACNWDE-SECBINFHSA-N -1 1 378.462 0.241 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)CC(C)C ZINC001573477901 946143961 /nfs/dbraw/zinc/14/39/61/946143961.db2.gz VBFJFVUKJAOQSL-YPMHNXCESA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)CC(C)C ZINC001573477901 946143965 /nfs/dbraw/zinc/14/39/65/946143965.db2.gz VBFJFVUKJAOQSL-YPMHNXCESA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573478151 946145570 /nfs/dbraw/zinc/14/55/70/946145570.db2.gz VOADVWDTAZPRBE-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573478151 946145573 /nfs/dbraw/zinc/14/55/73/946145573.db2.gz VOADVWDTAZPRBE-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM Cn1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1C(F)F ZINC001571294879 946147951 /nfs/dbraw/zinc/14/79/51/946147951.db2.gz OUEPJTMDJLCUQP-UHFFFAOYSA-N -1 1 390.358 0.290 20 0 GCADMM Cn1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1C(F)F ZINC001571294879 946147956 /nfs/dbraw/zinc/14/79/56/946147956.db2.gz OUEPJTMDJLCUQP-UHFFFAOYSA-N -1 1 390.358 0.290 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573478595 946151001 /nfs/dbraw/zinc/15/10/01/946151001.db2.gz XPMRRLIDMYYTJG-CMPLNLGQSA-N -1 1 392.489 0.631 20 0 GCADMM C[C@H](Cc1ccccc1Cl)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571295066 946151705 /nfs/dbraw/zinc/15/17/05/946151705.db2.gz OMEPVYHISPPNOT-SECBINFHSA-N -1 1 389.803 0.530 20 0 GCADMM O=C(NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F)c1cn[nH]c1 ZINC001571295132 946154202 /nfs/dbraw/zinc/15/42/02/946154202.db2.gz UMMQWQRSJZHFNC-JTQLQIEISA-N -1 1 390.358 0.271 20 0 GCADMM Cn1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1C(F)F ZINC001571295105 946154365 /nfs/dbraw/zinc/15/43/65/946154365.db2.gz SXTNVSIWNYFWKB-QMMMGPOBSA-N -1 1 390.358 0.337 20 0 GCADMM Cn1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1C(F)F ZINC001571295105 946154374 /nfs/dbraw/zinc/15/43/74/946154374.db2.gz SXTNVSIWNYFWKB-QMMMGPOBSA-N -1 1 390.358 0.337 20 0 GCADMM O=C(NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)c1cc(Cl)c[nH]1 ZINC001571295096 946154899 /nfs/dbraw/zinc/15/48/99/946154899.db2.gz SRUCOYHSSDBMBJ-SNVBAGLBSA-N -1 1 389.807 0.273 20 0 GCADMM O=C(NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)c1cc(Cl)c[nH]1 ZINC001571295096 946154909 /nfs/dbraw/zinc/15/49/09/946154909.db2.gz SRUCOYHSSDBMBJ-SNVBAGLBSA-N -1 1 389.807 0.273 20 0 GCADMM Cn1nc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1C(F)F ZINC001571295155 946155207 /nfs/dbraw/zinc/15/52/07/946155207.db2.gz VABZNQWHNICOLN-ZKCHVHJHSA-N -1 1 390.358 0.701 20 0 GCADMM Cn1nc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1C(F)F ZINC001571295155 946155214 /nfs/dbraw/zinc/15/52/14/946155214.db2.gz VABZNQWHNICOLN-ZKCHVHJHSA-N -1 1 390.358 0.701 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573479252 946156893 /nfs/dbraw/zinc/15/68/93/946156893.db2.gz BCRKHIRBGJPMRV-ZCFIWIBFSA-N -1 1 384.853 0.562 20 0 GCADMM Cn1ccnc1Sc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822698772 946160246 /nfs/dbraw/zinc/16/02/46/946160246.db2.gz DYGHBMSEYQIQRG-UHFFFAOYSA-N -1 1 382.413 0.982 20 0 GCADMM CC(C)(F)C(=O)N1CCOC2(CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001571295696 946171977 /nfs/dbraw/zinc/17/19/77/946171977.db2.gz CILBIMMWWUVIDE-UHFFFAOYSA-N -1 1 390.423 0.603 20 0 GCADMM CC(C)(F)C(=O)N1CCOC2(CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001571295696 946171986 /nfs/dbraw/zinc/17/19/86/946171986.db2.gz CILBIMMWWUVIDE-UHFFFAOYSA-N -1 1 390.423 0.603 20 0 GCADMM CCC[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCC1 ZINC001571295657 946172853 /nfs/dbraw/zinc/17/28/53/946172853.db2.gz BHKQWNRYSMPMRH-ZDUSSCGKSA-N -1 1 390.448 0.787 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573480589 946175380 /nfs/dbraw/zinc/17/53/80/946175380.db2.gz LCXJMFSUQFKOCK-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573480589 946175387 /nfs/dbraw/zinc/17/53/87/946175387.db2.gz LCXJMFSUQFKOCK-BQBZGAKWSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573481073 946180779 /nfs/dbraw/zinc/18/07/79/946180779.db2.gz NTUAHALBFYOSMD-MFKMUULPSA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573481073 946180784 /nfs/dbraw/zinc/18/07/84/946180784.db2.gz NTUAHALBFYOSMD-MFKMUULPSA-N -1 1 375.437 0.042 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571296016 946181685 /nfs/dbraw/zinc/18/16/85/946181685.db2.gz MBLSJCHGOSQBSP-NWDGAFQWSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571296016 946181690 /nfs/dbraw/zinc/18/16/90/946181690.db2.gz MBLSJCHGOSQBSP-NWDGAFQWSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCC[C@@H](C)C1 ZINC001571296116 946184050 /nfs/dbraw/zinc/18/40/50/946184050.db2.gz OJCTUJDCLXBGJW-GRYCIOLGSA-N -1 1 390.448 0.643 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571296069 946185175 /nfs/dbraw/zinc/18/51/75/946185175.db2.gz MQZDCWXCYVTKLO-SJKOYZFVSA-N -1 1 390.423 0.460 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571296069 946185180 /nfs/dbraw/zinc/18/51/80/946185180.db2.gz MQZDCWXCYVTKLO-SJKOYZFVSA-N -1 1 390.423 0.460 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@]3(F)CCOC3)[C@H]2C)n1 ZINC001571296114 946185793 /nfs/dbraw/zinc/18/57/93/946185793.db2.gz OIPIDFJVMQSIKX-RLFDGXBXSA-N -1 1 390.423 0.431 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@]3(F)CCOC3)[C@H]2C)n1 ZINC001571296114 946185801 /nfs/dbraw/zinc/18/58/01/946185801.db2.gz OIPIDFJVMQSIKX-RLFDGXBXSA-N -1 1 390.423 0.431 20 0 GCADMM CC1(CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCCCC1 ZINC001571296136 946186644 /nfs/dbraw/zinc/18/66/44/946186644.db2.gz OWBPCGLQQPUFII-UHFFFAOYSA-N -1 1 390.448 0.789 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573481860 946188026 /nfs/dbraw/zinc/18/80/26/946188026.db2.gz SDSCADLXJMZGKU-ONGXEEELSA-N -1 1 378.462 0.099 20 0 GCADMM O=C([C@@H]1Cc2ccccc2O1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571296163 946188004 /nfs/dbraw/zinc/18/80/04/946188004.db2.gz PHWPCZVWLPNTLG-YDHLFZDLSA-N -1 1 390.407 0.450 20 0 GCADMM O=C([C@@H]1Cc2ccccc2O1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571296163 946188013 /nfs/dbraw/zinc/18/80/13/946188013.db2.gz PHWPCZVWLPNTLG-YDHLFZDLSA-N -1 1 390.407 0.450 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001573482019 946189346 /nfs/dbraw/zinc/18/93/46/946189346.db2.gz SYFHYYCQPOFBPF-JTQLQIEISA-N -1 1 392.489 0.997 20 0 GCADMM O=C(N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCCCC1 ZINC001571296235 946189984 /nfs/dbraw/zinc/18/99/84/946189984.db2.gz RLXYMMQUEYTTGY-GFCCVEGCSA-N -1 1 390.423 0.968 20 0 GCADMM O=C(N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCCCC1 ZINC001571296235 946189987 /nfs/dbraw/zinc/18/99/87/946189987.db2.gz RLXYMMQUEYTTGY-GFCCVEGCSA-N -1 1 390.423 0.968 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1sccc1F ZINC001571296287 946190133 /nfs/dbraw/zinc/19/01/33/946190133.db2.gz SZIVKGOZOSSTDV-NXEZZACHSA-N -1 1 390.404 0.491 20 0 GCADMM CO[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1sccc1F ZINC001571296287 946190135 /nfs/dbraw/zinc/19/01/35/946190135.db2.gz SZIVKGOZOSSTDV-NXEZZACHSA-N -1 1 390.404 0.491 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001571296389 946194570 /nfs/dbraw/zinc/19/45/70/946194570.db2.gz WUHAPGCXMXPXDT-UHFFFAOYSA-N -1 1 390.423 0.968 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001571296389 946194578 /nfs/dbraw/zinc/19/45/78/946194578.db2.gz WUHAPGCXMXPXDT-UHFFFAOYSA-N -1 1 390.423 0.968 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)C1(F)CCOCC1)c1nccnc1-c1nnn[n-]1 ZINC001571296428 946194826 /nfs/dbraw/zinc/19/48/26/946194826.db2.gz XNDMTEUPAQISTG-LBPRGKRZSA-N -1 1 390.423 0.603 20 0 GCADMM CN(C[C@@H]1CCCN1C(=O)C1(F)CCOCC1)c1nccnc1-c1nn[n-]n1 ZINC001571296428 946194835 /nfs/dbraw/zinc/19/48/35/946194835.db2.gz XNDMTEUPAQISTG-LBPRGKRZSA-N -1 1 390.423 0.603 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571296507 946196182 /nfs/dbraw/zinc/19/61/82/946196182.db2.gz ZPPAQZFHBKBZPC-QGZVFWFLSA-N -1 1 390.423 0.386 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571296507 946196186 /nfs/dbraw/zinc/19/61/86/946196186.db2.gz ZPPAQZFHBKBZPC-QGZVFWFLSA-N -1 1 390.423 0.386 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001571296521 946197414 /nfs/dbraw/zinc/19/74/14/946197414.db2.gz ZXBYYUZUQNPAQW-WMLDXEAASA-N -1 1 390.423 0.459 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001571296521 946197423 /nfs/dbraw/zinc/19/74/23/946197423.db2.gz ZXBYYUZUQNPAQW-WMLDXEAASA-N -1 1 390.423 0.459 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)[C@@H]2C)C1 ZINC001571298092 946206042 /nfs/dbraw/zinc/20/60/42/946206042.db2.gz JGWXNQDHSLJEMN-SKDRFNHKSA-N -1 1 390.473 0.193 20 0 GCADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@H]3CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571299046 946238837 /nfs/dbraw/zinc/23/88/37/946238837.db2.gz TVUMBYXZRDIBFR-QLJPJBMISA-N -1 1 390.473 0.561 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573486421 946241597 /nfs/dbraw/zinc/24/15/97/946241597.db2.gz GHBIAVOLOYXXDV-DRZSPHRISA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573486421 946241603 /nfs/dbraw/zinc/24/16/03/946241603.db2.gz GHBIAVOLOYXXDV-DRZSPHRISA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573487433 946252784 /nfs/dbraw/zinc/25/27/84/946252784.db2.gz OATBWEKONXFENI-SMDDNHRTSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573487433 946252792 /nfs/dbraw/zinc/25/27/92/946252792.db2.gz OATBWEKONXFENI-SMDDNHRTSA-N -1 1 389.464 0.514 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)CN3CCCCC3=O)C2)c1-c1nn[n-]n1 ZINC001571299580 946252926 /nfs/dbraw/zinc/25/29/26/946252926.db2.gz XQRGXOYBWBQEPH-LLVKDONJSA-N -1 1 390.473 0.339 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573487679 946255797 /nfs/dbraw/zinc/25/57/97/946255797.db2.gz RDTAVKKWPSHMHS-NJUXHZRNSA-N -1 1 384.853 0.560 20 0 GCADMM Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)c1-c1nn[n-]n1 ZINC001571299597 946256433 /nfs/dbraw/zinc/25/64/33/946256433.db2.gz YIJMLVYHPRCJJV-QWRGUYRKSA-N -1 1 390.473 0.337 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573487866 946258395 /nfs/dbraw/zinc/25/83/95/946258395.db2.gz UZQDYVUEEHROAC-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573487866 946258403 /nfs/dbraw/zinc/25/84/03/946258403.db2.gz UZQDYVUEEHROAC-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573487824 946259500 /nfs/dbraw/zinc/25/95/00/946259500.db2.gz UFGOGDXCWIKFHU-NJUXHZRNSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573487824 946259505 /nfs/dbraw/zinc/25/95/05/946259505.db2.gz UFGOGDXCWIKFHU-NJUXHZRNSA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001573487759 946260135 /nfs/dbraw/zinc/26/01/35/946260135.db2.gz SSGROFGYLXNXAO-CYBMUJFWSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001573487759 946260142 /nfs/dbraw/zinc/26/01/42/946260142.db2.gz SSGROFGYLXNXAO-CYBMUJFWSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573487935 946260798 /nfs/dbraw/zinc/26/07/98/946260798.db2.gz VKMKTTGOZYMUJE-NGZCFLSTSA-N -1 1 378.462 0.240 20 0 GCADMM Cc1ccc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c(Cl)c1 ZINC001571299873 946263730 /nfs/dbraw/zinc/26/37/30/946263730.db2.gz PZKACMCNXQAAAX-UHFFFAOYSA-N -1 1 390.791 0.913 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573488062 946263832 /nfs/dbraw/zinc/26/38/32/946263832.db2.gz XGIOBDOYYBSIDM-CYBMUJFWSA-N -1 1 389.464 0.150 20 0 GCADMM CO[C@@H](C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001571299966 946265846 /nfs/dbraw/zinc/26/58/46/946265846.db2.gz WVDNJBPCFNBBHB-TZMCWYRMSA-N -1 1 390.448 0.275 20 0 GCADMM CO[C@@H](C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001571299966 946265855 /nfs/dbraw/zinc/26/58/55/946265855.db2.gz WVDNJBPCFNBBHB-TZMCWYRMSA-N -1 1 390.448 0.275 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573488564 946268637 /nfs/dbraw/zinc/26/86/37/946268637.db2.gz DDKBXDFLQVLLCI-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573488564 946268650 /nfs/dbraw/zinc/26/86/50/946268650.db2.gz DDKBXDFLQVLLCI-LLVKDONJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488615 946269398 /nfs/dbraw/zinc/26/93/98/946269398.db2.gz GAKHDSJVULJGBZ-LLVKDONJSA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488615 946269410 /nfs/dbraw/zinc/26/94/10/946269410.db2.gz GAKHDSJVULJGBZ-LLVKDONJSA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488734 946274687 /nfs/dbraw/zinc/27/46/87/946274687.db2.gz KRMDWPGOBHACBF-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM O=C(COC(=O)[C@@H]1CCC[C@@H]1O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018677 946274928 /nfs/dbraw/zinc/27/49/28/946274928.db2.gz VZNNCPMCNUXSDP-OCCSQVGLSA-N -1 1 397.395 0.695 20 0 GCADMM O=C(COC(=O)[C@@H]1CCC[C@@H]1O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018677 946274939 /nfs/dbraw/zinc/27/49/39/946274939.db2.gz VZNNCPMCNUXSDP-OCCSQVGLSA-N -1 1 397.395 0.695 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001573488752 946275536 /nfs/dbraw/zinc/27/55/36/946275536.db2.gz LEPCMPYWYZDYKR-LBPRGKRZSA-N -1 1 385.432 0.118 20 0 GCADMM CC(=O)NC1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001573488752 946275547 /nfs/dbraw/zinc/27/55/47/946275547.db2.gz LEPCMPYWYZDYKR-LBPRGKRZSA-N -1 1 385.432 0.118 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F)c1cnco1 ZINC001571301698 946280420 /nfs/dbraw/zinc/28/04/20/946280420.db2.gz AEMQLEIPASLTKO-VIFPVBQESA-N -1 1 391.342 0.536 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F)c1cnco1 ZINC001571301698 946280430 /nfs/dbraw/zinc/28/04/30/946280430.db2.gz AEMQLEIPASLTKO-VIFPVBQESA-N -1 1 391.342 0.536 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488911 946280626 /nfs/dbraw/zinc/28/06/26/946280626.db2.gz POBFEWUXWMMWKT-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1(C(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488911 946280632 /nfs/dbraw/zinc/28/06/32/946280632.db2.gz POBFEWUXWMMWKT-UHFFFAOYSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573488901 946281063 /nfs/dbraw/zinc/28/10/63/946281063.db2.gz PFTJQVTZEBAHGR-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573488901 946281071 /nfs/dbraw/zinc/28/10/71/946281071.db2.gz PFTJQVTZEBAHGR-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ocnc1C(F)F ZINC001571301707 946281651 /nfs/dbraw/zinc/28/16/51/946281651.db2.gz AJTAOLZQAIYMTJ-HTQZYQBOSA-N -1 1 391.342 0.837 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ocnc1C(F)F ZINC001571301707 946281661 /nfs/dbraw/zinc/28/16/61/946281661.db2.gz AJTAOLZQAIYMTJ-HTQZYQBOSA-N -1 1 391.342 0.837 20 0 GCADMM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573488959 946282321 /nfs/dbraw/zinc/28/23/21/946282321.db2.gz RHGKAYHKDKWFRB-AWEZNQCLSA-N -1 1 397.374 0.896 20 0 GCADMM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573488959 946282332 /nfs/dbraw/zinc/28/23/32/946282332.db2.gz RHGKAYHKDKWFRB-AWEZNQCLSA-N -1 1 397.374 0.896 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573492676 946295824 /nfs/dbraw/zinc/29/58/24/946295824.db2.gz FAEQXIGSZUASAR-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573492676 946295830 /nfs/dbraw/zinc/29/58/30/946295830.db2.gz FAEQXIGSZUASAR-PKSQDBQZSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1CCC(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573493726 946297878 /nfs/dbraw/zinc/29/78/78/946297878.db2.gz JDSRAHWYEUBPII-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NC1CCC(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573493726 946297886 /nfs/dbraw/zinc/29/78/86/946297886.db2.gz JDSRAHWYEUBPII-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCc2cccnc21 ZINC001571302535 946304628 /nfs/dbraw/zinc/30/46/28/946304628.db2.gz AKZQARZMKDYIBE-KGLIPLIRSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCc2cccnc21 ZINC001571302535 946304638 /nfs/dbraw/zinc/30/46/38/946304638.db2.gz AKZQARZMKDYIBE-KGLIPLIRSA-N -1 1 391.439 0.867 20 0 GCADMM O=C1CCc2cc(S(=O)(=O)NCc3nc(-c4nnn[n-]4)cs3)ccc2N1 ZINC001571302802 946316379 /nfs/dbraw/zinc/31/63/79/946316379.db2.gz CTBOJOXXRUFQFW-UHFFFAOYSA-N -1 1 391.438 0.686 20 0 GCADMM O=C1CCc2cc(S(=O)(=O)NCc3nc(-c4nn[n-]n4)cs3)ccc2N1 ZINC001571302802 946316394 /nfs/dbraw/zinc/31/63/94/946316394.db2.gz CTBOJOXXRUFQFW-UHFFFAOYSA-N -1 1 391.438 0.686 20 0 GCADMM O=C(Cc1cccnc1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571303045 946324746 /nfs/dbraw/zinc/32/47/46/946324746.db2.gz JWQJVXIZVFKJDI-GOOCMWNKSA-N -1 1 391.439 0.910 20 0 GCADMM O=C(Cc1cccnc1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571303045 946324757 /nfs/dbraw/zinc/32/47/57/946324757.db2.gz JWQJVXIZVFKJDI-GOOCMWNKSA-N -1 1 391.439 0.910 20 0 GCADMM Cc1ccncc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571303242 946330338 /nfs/dbraw/zinc/33/03/38/946330338.db2.gz MLVGZVGDPRDTSY-BMFZPTHFSA-N -1 1 391.439 0.829 20 0 GCADMM Cc1ccncc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571303242 946330352 /nfs/dbraw/zinc/33/03/52/946330352.db2.gz MLVGZVGDPRDTSY-BMFZPTHFSA-N -1 1 391.439 0.829 20 0 GCADMM CCc1cncc(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571303374 946335081 /nfs/dbraw/zinc/33/50/81/946335081.db2.gz LMXHJULDOYMZQG-DZGCQCFKSA-N -1 1 391.439 0.965 20 0 GCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1Cc2cccnc2C1 ZINC001571303434 946335788 /nfs/dbraw/zinc/33/57/88/946335788.db2.gz QUSONIVDYAWEBG-ZIAGYGMSSA-N -1 1 391.439 0.552 20 0 GCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1Cc2cccnc2C1 ZINC001571303434 946335800 /nfs/dbraw/zinc/33/58/00/946335800.db2.gz QUSONIVDYAWEBG-ZIAGYGMSSA-N -1 1 391.439 0.552 20 0 GCADMM COC1(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCCCC1 ZINC001571303696 946345328 /nfs/dbraw/zinc/34/53/28/946345328.db2.gz PNQVTGBXJJKCGS-UHFFFAOYSA-N -1 1 391.432 0.375 20 0 GCADMM O=C(Cc1cccnc1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571303736 946345819 /nfs/dbraw/zinc/34/58/19/946345819.db2.gz WYLFDLJTVMDBPJ-LIRRHRJNSA-N -1 1 391.439 0.770 20 0 GCADMM O=C(Cc1cccnc1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571303736 946345835 /nfs/dbraw/zinc/34/58/35/946345835.db2.gz WYLFDLJTVMDBPJ-LIRRHRJNSA-N -1 1 391.439 0.770 20 0 GCADMM O=C(c1csc(Cl)n1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571305497 946363200 /nfs/dbraw/zinc/36/32/00/946363200.db2.gz CKYOFAJROZFCKS-QMMMGPOBSA-N -1 1 391.848 0.905 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1C ZINC001573498947 946364225 /nfs/dbraw/zinc/36/42/25/946364225.db2.gz BKACUFBKSSPZNI-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001573498947 946364235 /nfs/dbraw/zinc/36/42/35/946364235.db2.gz BKACUFBKSSPZNI-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573499406 946365885 /nfs/dbraw/zinc/36/58/85/946365885.db2.gz CJDICVKYWVVWTP-POYBYMJQSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573499406 946365900 /nfs/dbraw/zinc/36/59/00/946365900.db2.gz CJDICVKYWVVWTP-POYBYMJQSA-N -1 1 384.853 0.372 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305799 946376642 /nfs/dbraw/zinc/37/66/42/946376642.db2.gz CYVGHNFSHFESTF-NAKRPEOUSA-N -1 1 391.457 0.747 20 0 GCADMM Cc1nsc(N2CCC[C@@H](NC(=O)C3=COCCO3)CC2)c1-c1nn[n-]n1 ZINC001571306477 946403144 /nfs/dbraw/zinc/40/31/44/946403144.db2.gz LNGIPCLQYUYSAB-LLVKDONJSA-N -1 1 391.457 0.995 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573504004 946404756 /nfs/dbraw/zinc/40/47/56/946404756.db2.gz DNSRNXOAEVYVPF-OAHLLOKOSA-N -1 1 378.462 0.418 20 0 GCADMM CCOc1ccc(Cl)c(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001571306595 946405343 /nfs/dbraw/zinc/40/53/43/946405343.db2.gz YIXFPVNWNBQWPW-UHFFFAOYSA-N -1 1 391.775 0.820 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CC(=O)NC[C@H]2C(C)(C)C)cc1-c1nn[n-]n1 ZINC001571306792 946412423 /nfs/dbraw/zinc/41/24/23/946412423.db2.gz QAYIVLHZIWHHKX-JTQLQIEISA-N -1 1 391.457 0.676 20 0 GCADMM COC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001571307879 946426242 /nfs/dbraw/zinc/42/62/42/946426242.db2.gz IROKQFBIFIMRHU-UHFFFAOYSA-N -1 1 392.372 0.666 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@H]1C ZINC001573506321 946430053 /nfs/dbraw/zinc/43/00/53/946430053.db2.gz PMZADQMNLBQVJJ-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]1C ZINC001573506321 946430057 /nfs/dbraw/zinc/43/00/57/946430057.db2.gz PMZADQMNLBQVJJ-HTRCEHHLSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]1C ZINC001573506326 946430602 /nfs/dbraw/zinc/43/06/02/946430602.db2.gz PMZADQMNLBQVJJ-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]1C ZINC001573506326 946430608 /nfs/dbraw/zinc/43/06/08/946430608.db2.gz PMZADQMNLBQVJJ-XPUUQOCRSA-N -1 1 384.853 0.514 20 0 GCADMM O=C([C@@H]1Cc2ccc(F)cc21)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571308728 946434983 /nfs/dbraw/zinc/43/49/83/946434983.db2.gz SNVXCEAGZXBIQC-KCQAQPDRSA-N -1 1 392.398 0.925 20 0 GCADMM O=C([C@@H]1Cc2ccc(F)cc21)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571308728 946434989 /nfs/dbraw/zinc/43/49/89/946434989.db2.gz SNVXCEAGZXBIQC-KCQAQPDRSA-N -1 1 392.398 0.925 20 0 GCADMM O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571308744 946435629 /nfs/dbraw/zinc/43/56/29/946435629.db2.gz SQIIZHHCPMKSMG-GXSJLCMTSA-N -1 1 392.363 0.791 20 0 GCADMM O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571308744 946435637 /nfs/dbraw/zinc/43/56/37/946435637.db2.gz SQIIZHHCPMKSMG-GXSJLCMTSA-N -1 1 392.363 0.791 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CCN2c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573506766 946437345 /nfs/dbraw/zinc/43/73/45/946437345.db2.gz TVUSXQXNOREDJD-VXGBXAGGSA-N -1 1 390.473 0.195 20 0 GCADMM Cc1cccc2c1O[C@H](C(=O)N[C@H]1CCN(c3nccnc3-c3nnn[n-]3)C1)C2 ZINC001571309468 946444064 /nfs/dbraw/zinc/44/40/64/946444064.db2.gz ATKZEQSPRZSMMR-KBPBESRZSA-N -1 1 392.423 0.664 20 0 GCADMM Cc1cccc2c1O[C@H](C(=O)N[C@H]1CCN(c3nccnc3-c3nn[n-]n3)C1)C2 ZINC001571309468 946444069 /nfs/dbraw/zinc/44/40/69/946444069.db2.gz ATKZEQSPRZSMMR-KBPBESRZSA-N -1 1 392.423 0.664 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc2c1CCOC2 ZINC001571309532 946446531 /nfs/dbraw/zinc/44/65/31/946446531.db2.gz CONVEKDCPAXUDF-ZDUSSCGKSA-N -1 1 392.423 0.738 20 0 GCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc2c1CCOC2 ZINC001571309532 946446532 /nfs/dbraw/zinc/44/65/32/946446532.db2.gz CONVEKDCPAXUDF-ZDUSSCGKSA-N -1 1 392.423 0.738 20 0 GCADMM O=C(C[C@@H]1Cc2ccccc2O1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571309541 946446641 /nfs/dbraw/zinc/44/66/41/946446641.db2.gz CWQONMQKRRZIGT-AWEZNQCLSA-N -1 1 392.423 0.699 20 0 GCADMM O=C(C[C@@H]1Cc2ccccc2O1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571309541 946446645 /nfs/dbraw/zinc/44/66/45/946446645.db2.gz CWQONMQKRRZIGT-AWEZNQCLSA-N -1 1 392.423 0.699 20 0 GCADMM Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)nn1 ZINC001571309585 946449028 /nfs/dbraw/zinc/44/90/28/946449028.db2.gz DVUPQRDIHWBHEC-SNVBAGLBSA-N -1 1 392.420 0.703 20 0 GCADMM C[C@@H]1Cc2cc(C(=O)N[C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)ccc2O1 ZINC001571309643 946451747 /nfs/dbraw/zinc/45/17/47/946451747.db2.gz GNMOHORIJVWJGC-RISCZKNCSA-N -1 1 392.423 0.989 20 0 GCADMM C[C@@H]1Cc2cc(C(=O)N[C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)ccc2O1 ZINC001571309643 946451753 /nfs/dbraw/zinc/45/17/53/946451753.db2.gz GNMOHORIJVWJGC-RISCZKNCSA-N -1 1 392.423 0.989 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nnn[n-]2)cc1 ZINC001571309827 946454451 /nfs/dbraw/zinc/45/44/51/946454451.db2.gz MAFNNVKUMOOBAV-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[n-]n2)cc1 ZINC001571309827 946454459 /nfs/dbraw/zinc/45/44/59/946454459.db2.gz MAFNNVKUMOOBAV-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573508355 946454816 /nfs/dbraw/zinc/45/48/16/946454816.db2.gz ZOWOEXQERVBUPV-FZMZJTMJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573508355 946454825 /nfs/dbraw/zinc/45/48/25/946454825.db2.gz ZOWOEXQERVBUPV-FZMZJTMJSA-N -1 1 387.448 0.222 20 0 GCADMM Cn1c(=O)[nH]c(NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2nn[n-]n2)c1=O ZINC001571310116 946460825 /nfs/dbraw/zinc/46/08/25/946460825.db2.gz VRYKVTYRNCVLMY-DTORHVGOSA-N -1 1 392.420 0.381 20 0 GCADMM O=C(C[C@H]1Cc2ccccc2O1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310091 946461727 /nfs/dbraw/zinc/46/17/27/946461727.db2.gz UXUYAMSGCWYGJS-ZIAGYGMSSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(C[C@H]1Cc2ccccc2O1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310091 946461732 /nfs/dbraw/zinc/46/17/32/946461732.db2.gz UXUYAMSGCWYGJS-ZIAGYGMSSA-N -1 1 392.423 0.745 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)c3cccc4c3OCC4)CC2)n1 ZINC001571310057 946462009 /nfs/dbraw/zinc/46/20/09/946462009.db2.gz UAPOIRNLVVVNFJ-UHFFFAOYSA-N -1 1 392.423 0.862 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)c3cccc4c3OCC4)CC2)n1 ZINC001571310057 946462015 /nfs/dbraw/zinc/46/20/15/946462015.db2.gz UAPOIRNLVVVNFJ-UHFFFAOYSA-N -1 1 392.423 0.862 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3ccc4c(c3)CCO4)C2)n1 ZINC001571310142 946463213 /nfs/dbraw/zinc/46/32/13/946463213.db2.gz WNLAKEFITWHGBK-CQSZACIVSA-N -1 1 392.423 0.909 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3ccc4c(c3)CCO4)C2)n1 ZINC001571310142 946463220 /nfs/dbraw/zinc/46/32/20/946463220.db2.gz WNLAKEFITWHGBK-CQSZACIVSA-N -1 1 392.423 0.909 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1OCCc2ccccc21 ZINC001571310150 946464121 /nfs/dbraw/zinc/46/41/21/946464121.db2.gz WXLXRZSGEHOZSM-DYVFJYSZSA-N -1 1 392.423 0.666 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1OCCc2ccccc21 ZINC001571310150 946464129 /nfs/dbraw/zinc/46/41/29/946464129.db2.gz WXLXRZSGEHOZSM-DYVFJYSZSA-N -1 1 392.423 0.666 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)cc1 ZINC001571310188 946464462 /nfs/dbraw/zinc/46/44/62/946464462.db2.gz XSZMQIVEYLJJTK-HOCLYGCPSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)cc1 ZINC001571310188 946464469 /nfs/dbraw/zinc/46/44/69/946464469.db2.gz XSZMQIVEYLJJTK-HOCLYGCPSA-N -1 1 392.423 0.669 20 0 GCADMM O=C([C@@H]1Cc2ccccc21)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310214 946466374 /nfs/dbraw/zinc/46/63/74/946466374.db2.gz YPLJXKQPEZBGGB-DZGCQCFKSA-N -1 1 392.423 0.636 20 0 GCADMM O=C([C@@H]1Cc2ccccc21)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310214 946466380 /nfs/dbraw/zinc/46/63/80/946466380.db2.gz YPLJXKQPEZBGGB-DZGCQCFKSA-N -1 1 392.423 0.636 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)CCO2 ZINC001571310211 946466469 /nfs/dbraw/zinc/46/64/69/946466469.db2.gz YMKFEBQNVFRXRO-AWEZNQCLSA-N -1 1 392.423 0.990 20 0 GCADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)CCO2 ZINC001571310211 946466476 /nfs/dbraw/zinc/46/64/76/946466476.db2.gz YMKFEBQNVFRXRO-AWEZNQCLSA-N -1 1 392.423 0.990 20 0 GCADMM COc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)cc1 ZINC001571310236 946466867 /nfs/dbraw/zinc/46/68/67/946466867.db2.gz ZFNMXFDJYZOHML-UOIKSKOESA-N -1 1 392.423 0.459 20 0 GCADMM COc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)cc1 ZINC001571310236 946466876 /nfs/dbraw/zinc/46/68/76/946466876.db2.gz ZFNMXFDJYZOHML-UOIKSKOESA-N -1 1 392.423 0.459 20 0 GCADMM O=C([C@H]1Cc2ccccc21)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310217 946466950 /nfs/dbraw/zinc/46/69/50/946466950.db2.gz YPLJXKQPEZBGGB-ZFWWWQNUSA-N -1 1 392.423 0.636 20 0 GCADMM O=C([C@H]1Cc2ccccc21)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310217 946466955 /nfs/dbraw/zinc/46/69/55/946466955.db2.gz YPLJXKQPEZBGGB-ZFWWWQNUSA-N -1 1 392.423 0.636 20 0 GCADMM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573510087 946471856 /nfs/dbraw/zinc/47/18/56/946471856.db2.gz YNVRSHVXFWFZDX-LBPRGKRZSA-N -1 1 392.489 0.585 20 0 GCADMM O=C(c1ncc2n1CCCC2)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571311005 946481129 /nfs/dbraw/zinc/48/11/29/946481129.db2.gz PLFQIRNUQQMMLW-STQMWFEESA-N -1 1 392.427 0.293 20 0 GCADMM O=C(c1ncc2n1CCCC2)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571311005 946481138 /nfs/dbraw/zinc/48/11/38/946481138.db2.gz PLFQIRNUQQMMLW-STQMWFEESA-N -1 1 392.427 0.293 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(C)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573511531 946487028 /nfs/dbraw/zinc/48/70/28/946487028.db2.gz BJVRNKJHIBEESO-CYBMUJFWSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)[C@H](C)C1 ZINC001573511727 946489922 /nfs/dbraw/zinc/48/99/22/946489922.db2.gz RMGGQHDWQQOIEU-VXNVDRBHSA-N -1 1 398.880 0.619 20 0 GCADMM C[C@@]12CN(C(=O)c3cccnn3)C[C@]1(C)CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571312386 946491137 /nfs/dbraw/zinc/49/11/37/946491137.db2.gz BHKBQKZVSKXDMJ-HDICACEKSA-N -1 1 392.427 0.435 20 0 GCADMM C[C@@]12CN(C(=O)c3cccnn3)C[C@]1(C)CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571312386 946491144 /nfs/dbraw/zinc/49/11/44/946491144.db2.gz BHKBQKZVSKXDMJ-HDICACEKSA-N -1 1 392.427 0.435 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c(C2CC2)n1 ZINC001571312595 946495404 /nfs/dbraw/zinc/49/54/04/946495404.db2.gz ICFAPQHZCFAACU-CDMJZVDBSA-N -1 1 392.427 0.132 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c(C2CC2)n1 ZINC001571312595 946495412 /nfs/dbraw/zinc/49/54/12/946495412.db2.gz ICFAPQHZCFAACU-CDMJZVDBSA-N -1 1 392.427 0.132 20 0 GCADMM O=C([C@@H]1CCc2ncncc2C1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571312551 946495750 /nfs/dbraw/zinc/49/57/50/946495750.db2.gz HGOJYIDHZWTIAV-YPMHNXCESA-N -1 1 392.427 0.265 20 0 GCADMM O=C([C@@H]1CCc2ncncc2C1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571312551 946495758 /nfs/dbraw/zinc/49/57/58/946495758.db2.gz HGOJYIDHZWTIAV-YPMHNXCESA-N -1 1 392.427 0.265 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573512436 946497473 /nfs/dbraw/zinc/49/74/73/946497473.db2.gz FZHGTVSQLQLTKO-NEPJUHHUSA-N -1 1 392.489 0.855 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cnn2c1CCCC2 ZINC001571312639 946497776 /nfs/dbraw/zinc/49/77/76/946497776.db2.gz JLJHZSBCABEMNS-JYAVWHMHSA-N -1 1 392.427 0.054 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001573512467 946498197 /nfs/dbraw/zinc/49/81/97/946498197.db2.gz XBNSNBOZFCDOLC-ZDUSSCGKSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573512467 946498203 /nfs/dbraw/zinc/49/82/03/946498203.db2.gz XBNSNBOZFCDOLC-ZDUSSCGKSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573512437 946498957 /nfs/dbraw/zinc/49/89/57/946498957.db2.gz FZHGTVSQLQLTKO-NWDGAFQWSA-N -1 1 392.489 0.855 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccnc(C2CC2)n1 ZINC001571312769 946500792 /nfs/dbraw/zinc/50/07/92/946500792.db2.gz KCLVCOZVYZPMAP-LBPRGKRZSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccnc(C2CC2)n1 ZINC001571312769 946500801 /nfs/dbraw/zinc/50/08/01/946500801.db2.gz KCLVCOZVYZPMAP-LBPRGKRZSA-N -1 1 392.427 0.723 20 0 GCADMM O=C(c1cccnn1)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571312823 946502544 /nfs/dbraw/zinc/50/25/44/946502544.db2.gz KWHWJJDOIOSRQJ-SGTLLEGYSA-N -1 1 392.427 0.801 20 0 GCADMM O=C(c1cccnn1)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571312823 946502553 /nfs/dbraw/zinc/50/25/53/946502553.db2.gz KWHWJJDOIOSRQJ-SGTLLEGYSA-N -1 1 392.427 0.801 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)cc(-c3nnn[n-]3)n2)nn1 ZINC001571313122 946512367 /nfs/dbraw/zinc/51/23/67/946512367.db2.gz OKFZNRMRLPAKNU-KYOSRNDESA-N -1 1 392.427 0.603 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)cc(-c3nn[n-]n3)n2)nn1 ZINC001571313122 946512378 /nfs/dbraw/zinc/51/23/78/946512378.db2.gz OKFZNRMRLPAKNU-KYOSRNDESA-N -1 1 392.427 0.603 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)n1 ZINC001571313115 946513343 /nfs/dbraw/zinc/51/33/43/946513343.db2.gz OGEAPKPROPZAQZ-QWHCGFSZSA-N -1 1 392.427 0.908 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)n1 ZINC001571313115 946513348 /nfs/dbraw/zinc/51/33/48/946513348.db2.gz OGEAPKPROPZAQZ-QWHCGFSZSA-N -1 1 392.427 0.908 20 0 GCADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1ccnnc1 ZINC001571313149 946513682 /nfs/dbraw/zinc/51/36/82/946513682.db2.gz OXAROOVRKPOCSI-MGPQQGTHSA-N -1 1 392.427 0.482 20 0 GCADMM Cc1nccc(C(=O)N[C@@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571313278 946517344 /nfs/dbraw/zinc/51/73/44/946517344.db2.gz PJBWENIXRQETPP-RDTXWAMCSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1nccc(C(=O)N[C@@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571313278 946517347 /nfs/dbraw/zinc/51/73/47/946517347.db2.gz PJBWENIXRQETPP-RDTXWAMCSA-N -1 1 392.427 0.687 20 0 GCADMM C[C@]1(NC(=O)c2ccnc(C3CC3)n2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313321 946518281 /nfs/dbraw/zinc/51/82/81/946518281.db2.gz PTWUWVISJVAVRK-SFHVURJKSA-N -1 1 392.427 0.723 20 0 GCADMM Cc1nnccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571313366 946520953 /nfs/dbraw/zinc/52/09/53/946520953.db2.gz QEZAQHOWNRCZID-OLZOCXBDSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nnccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571313366 946520962 /nfs/dbraw/zinc/52/09/62/946520962.db2.gz QEZAQHOWNRCZID-OLZOCXBDSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(c1cncnc1C1CC1)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313808 946532469 /nfs/dbraw/zinc/53/24/69/946532469.db2.gz VTVBVRUAAKZFFV-LLVKDONJSA-N -1 1 392.427 0.320 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573514834 946535651 /nfs/dbraw/zinc/53/56/51/946535651.db2.gz FBFJFBDPAODHLU-QMMMGPOBSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573514834 946535660 /nfs/dbraw/zinc/53/56/60/946535660.db2.gz FBFJFBDPAODHLU-QMMMGPOBSA-N -1 1 384.853 0.198 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)nn1 ZINC001571313921 946536555 /nfs/dbraw/zinc/53/65/55/946536555.db2.gz XMWCYPKTUDUTEZ-OLZOCXBDSA-N -1 1 392.427 0.330 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)cnn1 ZINC001571313927 946536599 /nfs/dbraw/zinc/53/65/99/946536599.db2.gz XPYPPFCNDYVXCQ-KDOFPFPSSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)cnn1 ZINC001571313927 946536609 /nfs/dbraw/zinc/53/66/09/946536609.db2.gz XPYPPFCNDYVXCQ-KDOFPFPSSA-N -1 1 392.427 0.687 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1cccc2c1CCC2 ZINC001571313943 946536924 /nfs/dbraw/zinc/53/69/24/946536924.db2.gz XTYHXADPTOLDDB-HZPDHXFCSA-N -1 1 392.423 0.125 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1cccc2c1CCC2 ZINC001571313943 946536933 /nfs/dbraw/zinc/53/69/33/946536933.db2.gz XTYHXADPTOLDDB-HZPDHXFCSA-N -1 1 392.423 0.125 20 0 GCADMM O=C(c1cnc2n1CCC2)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571314017 946539550 /nfs/dbraw/zinc/53/95/50/946539550.db2.gz ZHUKTHPTCSGTPX-SMDDNHRTSA-N -1 1 392.427 0.150 20 0 GCADMM O=C(c1cnc2n1CCC2)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571314017 946539560 /nfs/dbraw/zinc/53/95/60/946539560.db2.gz ZHUKTHPTCSGTPX-SMDDNHRTSA-N -1 1 392.427 0.150 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001573515342 946542444 /nfs/dbraw/zinc/54/24/44/946542444.db2.gz LBLHWFNKGSVGSI-LLVKDONJSA-N -1 1 392.489 0.489 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573517366 946572750 /nfs/dbraw/zinc/57/27/50/946572750.db2.gz IRIBHUCJUICOMT-NSHDSACASA-N -1 1 378.462 0.100 20 0 GCADMM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573517507 946574300 /nfs/dbraw/zinc/57/43/00/946574300.db2.gz LSYUWBYZEHFIRL-INIZCTEOSA-N -1 1 392.489 0.490 20 0 GCADMM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573517508 946574383 /nfs/dbraw/zinc/57/43/83/946574383.db2.gz LSYUWBYZEHFIRL-MRXNPFEDSA-N -1 1 392.489 0.490 20 0 GCADMM CC(=O)NCC(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573517533 946577540 /nfs/dbraw/zinc/57/75/40/946577540.db2.gz MMZRGRKJNMHBAC-UHFFFAOYSA-N -1 1 387.448 0.332 20 0 GCADMM CC(=O)NCC(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573517533 946577545 /nfs/dbraw/zinc/57/75/45/946577545.db2.gz MMZRGRKJNMHBAC-UHFFFAOYSA-N -1 1 387.448 0.332 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573518014 946584925 /nfs/dbraw/zinc/58/49/25/946584925.db2.gz VPWMNXNQJFSAFB-QMMMGPOBSA-N -1 1 384.853 0.055 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573518014 946584931 /nfs/dbraw/zinc/58/49/31/946584931.db2.gz VPWMNXNQJFSAFB-QMMMGPOBSA-N -1 1 384.853 0.055 20 0 GCADMM CC(=O)NCC(=O)NCC1(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCC1 ZINC001573518044 946586396 /nfs/dbraw/zinc/58/63/96/946586396.db2.gz WQVNFGSZELVLTN-UHFFFAOYSA-N -1 1 384.853 0.564 20 0 GCADMM Cc1nsc(N2CCC[C@@H](NC(=O)CN3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571317442 946611381 /nfs/dbraw/zinc/61/13/81/946611381.db2.gz HZPRVIYLERRXFM-GFCCVEGCSA-N -1 1 392.489 0.049 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H]1C ZINC001573521961 946617718 /nfs/dbraw/zinc/61/77/18/946617718.db2.gz RAJBDKXIGALZHQ-SVRRBLITSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573522028 946620836 /nfs/dbraw/zinc/62/08/36/946620836.db2.gz WAHIRMYQVIIKLY-XYPYZODXSA-N -1 1 378.462 0.607 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O)c1ccncc1 ZINC001571317812 946622113 /nfs/dbraw/zinc/62/21/13/946622113.db2.gz WHLINPPAJKTJNI-BDAKNGLRSA-N -1 1 392.832 0.351 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573522144 946622937 /nfs/dbraw/zinc/62/29/37/946622937.db2.gz BIKJNNLCHNOTDD-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573522144 946622945 /nfs/dbraw/zinc/62/29/45/946622945.db2.gz BIKJNNLCHNOTDD-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573522400 946624866 /nfs/dbraw/zinc/62/48/66/946624866.db2.gz FCMIXPCOYKOYMN-MFKMUULPSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573522400 946624869 /nfs/dbraw/zinc/62/48/69/946624869.db2.gz FCMIXPCOYKOYMN-MFKMUULPSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573522465 946627365 /nfs/dbraw/zinc/62/73/65/946627365.db2.gz GQDRXRCRJLVULS-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573522465 946627367 /nfs/dbraw/zinc/62/73/67/946627367.db2.gz GQDRXRCRJLVULS-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573522434 946628312 /nfs/dbraw/zinc/62/83/12/946628312.db2.gz FSAQUKVPIPXBFO-QWRGUYRKSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573522434 946628319 /nfs/dbraw/zinc/62/83/19/946628319.db2.gz FSAQUKVPIPXBFO-QWRGUYRKSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573522967 946631609 /nfs/dbraw/zinc/63/16/09/946631609.db2.gz NQLNWCDDYPRRBY-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573522967 946631616 /nfs/dbraw/zinc/63/16/16/946631616.db2.gz NQLNWCDDYPRRBY-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573522887 946631853 /nfs/dbraw/zinc/63/18/53/946631853.db2.gz MNKSSMPDTAXIMO-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573522887 946631860 /nfs/dbraw/zinc/63/18/60/946631860.db2.gz MNKSSMPDTAXIMO-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573523101 946634976 /nfs/dbraw/zinc/63/49/76/946634976.db2.gz OBJOICXKNMNOLY-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573523101 946634983 /nfs/dbraw/zinc/63/49/83/946634983.db2.gz OBJOICXKNMNOLY-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573523687 946636221 /nfs/dbraw/zinc/63/62/21/946636221.db2.gz VASOOAJHWWFTSX-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573523687 946636223 /nfs/dbraw/zinc/63/62/23/946636223.db2.gz VASOOAJHWWFTSX-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573523873 946638362 /nfs/dbraw/zinc/63/83/62/946638362.db2.gz XTBVUIINNLAQBO-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573523873 946638374 /nfs/dbraw/zinc/63/83/74/946638374.db2.gz XTBVUIINNLAQBO-UHFFFAOYSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573523944 946640507 /nfs/dbraw/zinc/64/05/07/946640507.db2.gz YIRYHNUWOIQCTL-NSHDSACASA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573523944 946640509 /nfs/dbraw/zinc/64/05/09/946640509.db2.gz YIRYHNUWOIQCTL-NSHDSACASA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573527538 946644321 /nfs/dbraw/zinc/64/43/21/946644321.db2.gz CCAWUVNVDDIPER-GFCCVEGCSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573527538 946644330 /nfs/dbraw/zinc/64/43/30/946644330.db2.gz CCAWUVNVDDIPER-GFCCVEGCSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573527827 946648447 /nfs/dbraw/zinc/64/84/47/946648447.db2.gz IRICPIPFEDNZHY-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573527827 946648454 /nfs/dbraw/zinc/64/84/54/946648454.db2.gz IRICPIPFEDNZHY-HAQNSBGRSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)OCCCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824315722 946654056 /nfs/dbraw/zinc/65/40/56/946654056.db2.gz WEMMRVIAFDSJJM-UHFFFAOYSA-N -1 1 379.469 0.951 20 0 GCADMM CC(C)OCCCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824315722 946654066 /nfs/dbraw/zinc/65/40/66/946654066.db2.gz WEMMRVIAFDSJJM-UHFFFAOYSA-N -1 1 379.469 0.951 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573528116 946657896 /nfs/dbraw/zinc/65/78/96/946657896.db2.gz VCXARLJISPOYRO-LBPRGKRZSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573528116 946657903 /nfs/dbraw/zinc/65/79/03/946657903.db2.gz VCXARLJISPOYRO-LBPRGKRZSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573528132 946657985 /nfs/dbraw/zinc/65/79/85/946657985.db2.gz VQHVJNLHIBJMFO-TXEJJXNPSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573528132 946657993 /nfs/dbraw/zinc/65/79/93/946657993.db2.gz VQHVJNLHIBJMFO-TXEJJXNPSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573535867 946727216 /nfs/dbraw/zinc/72/72/16/946727216.db2.gz LGWVSGFLAFMCPV-GXFFZTMASA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573535867 946727223 /nfs/dbraw/zinc/72/72/23/946727223.db2.gz LGWVSGFLAFMCPV-GXFFZTMASA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573537065 946742803 /nfs/dbraw/zinc/74/28/03/946742803.db2.gz GCCPJDOTSYWHMH-CMPLNLGQSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573537065 946742807 /nfs/dbraw/zinc/74/28/07/946742807.db2.gz GCCPJDOTSYWHMH-CMPLNLGQSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573537066 946743353 /nfs/dbraw/zinc/74/33/53/946743353.db2.gz GCCPJDOTSYWHMH-ZYHUDNBSSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573537066 946743369 /nfs/dbraw/zinc/74/33/69/946743369.db2.gz GCCPJDOTSYWHMH-ZYHUDNBSSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537410 946747914 /nfs/dbraw/zinc/74/79/14/946747914.db2.gz NPYHMEFPXOBZHC-SWLSCSKDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537410 946747924 /nfs/dbraw/zinc/74/79/24/946747924.db2.gz NPYHMEFPXOBZHC-SWLSCSKDSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573537637 946756139 /nfs/dbraw/zinc/75/61/39/946756139.db2.gz HXSRMRIVFDGGRK-FZMZJTMJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573537637 946756153 /nfs/dbraw/zinc/75/61/53/946756153.db2.gz HXSRMRIVFDGGRK-FZMZJTMJSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573538089 946762749 /nfs/dbraw/zinc/76/27/49/946762749.db2.gz WFGGXQVUFZOLOC-QMTHXVAHSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573538089 946762756 /nfs/dbraw/zinc/76/27/56/946762756.db2.gz WFGGXQVUFZOLOC-QMTHXVAHSA-N -1 1 375.437 0.076 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573538182 946766481 /nfs/dbraw/zinc/76/64/81/946766481.db2.gz PHYVMOMGSUBNDJ-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573538182 946766488 /nfs/dbraw/zinc/76/64/88/946766488.db2.gz PHYVMOMGSUBNDJ-YPMHNXCESA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573538496 946767945 /nfs/dbraw/zinc/76/79/45/946767945.db2.gz UVQVIBQEOMSNEZ-JSGCOSHPSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573538496 946767959 /nfs/dbraw/zinc/76/79/59/946767959.db2.gz UVQVIBQEOMSNEZ-JSGCOSHPSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573540359 946774056 /nfs/dbraw/zinc/77/40/56/946774056.db2.gz AKIJBJKLYKLBNF-CHWSQXEVSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573540359 946774066 /nfs/dbraw/zinc/77/40/66/946774066.db2.gz AKIJBJKLYKLBNF-CHWSQXEVSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573538633 946774246 /nfs/dbraw/zinc/77/42/46/946774246.db2.gz ZDSSZGZBLBBWIZ-FZMZJTMJSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573538633 946774254 /nfs/dbraw/zinc/77/42/54/946774254.db2.gz ZDSSZGZBLBBWIZ-FZMZJTMJSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573540451 946775903 /nfs/dbraw/zinc/77/59/03/946775903.db2.gz FEPKCZVSUZPFCR-GFCCVEGCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573540451 946775916 /nfs/dbraw/zinc/77/59/16/946775916.db2.gz FEPKCZVSUZPFCR-GFCCVEGCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573540420 946776572 /nfs/dbraw/zinc/77/65/72/946776572.db2.gz DJLKMYJDFNNJKS-QMTHXVAHSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540420 946776579 /nfs/dbraw/zinc/77/65/79/946776579.db2.gz DJLKMYJDFNNJKS-QMTHXVAHSA-N -1 1 389.464 0.372 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573540372 946776964 /nfs/dbraw/zinc/77/69/64/946776964.db2.gz BKGMWLHRWUEPPX-QMTHXVAHSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573540372 946776969 /nfs/dbraw/zinc/77/69/69/946776969.db2.gz BKGMWLHRWUEPPX-QMTHXVAHSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573540553 946777874 /nfs/dbraw/zinc/77/78/74/946777874.db2.gz FIQZCIVQDDERPU-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573540553 946777876 /nfs/dbraw/zinc/77/78/76/946777876.db2.gz FIQZCIVQDDERPU-IINYFYTJSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573540608 946777948 /nfs/dbraw/zinc/77/79/48/946777948.db2.gz HXCIXKNNWJGGIO-CYBMUJFWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573540608 946777951 /nfs/dbraw/zinc/77/79/51/946777951.db2.gz HXCIXKNNWJGGIO-CYBMUJFWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573540626 946779385 /nfs/dbraw/zinc/77/93/85/946779385.db2.gz ILBBYMRUBXBKPN-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573540626 946779391 /nfs/dbraw/zinc/77/93/91/946779391.db2.gz ILBBYMRUBXBKPN-DGCLKSJQSA-N -1 1 389.464 0.466 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(C)C ZINC001573541224 946786114 /nfs/dbraw/zinc/78/61/14/946786114.db2.gz OWFPNOBOYABLBV-CYBMUJFWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(C)C ZINC001573541224 946786117 /nfs/dbraw/zinc/78/61/17/946786117.db2.gz OWFPNOBOYABLBV-CYBMUJFWSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541633 946787464 /nfs/dbraw/zinc/78/74/64/946787464.db2.gz UJMVXQMQSKVBJY-CQSZACIVSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541633 946787467 /nfs/dbraw/zinc/78/74/67/946787467.db2.gz UJMVXQMQSKVBJY-CQSZACIVSA-N -1 1 389.464 0.102 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573541566 946787541 /nfs/dbraw/zinc/78/75/41/946787541.db2.gz RSCMSSWUNOSDPH-CYBMUJFWSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573541566 946787555 /nfs/dbraw/zinc/78/75/55/946787555.db2.gz RSCMSSWUNOSDPH-CYBMUJFWSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573541599 946787574 /nfs/dbraw/zinc/78/75/74/946787574.db2.gz SLNHXWZBCBOIJX-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573541599 946787582 /nfs/dbraw/zinc/78/75/82/946787582.db2.gz SLNHXWZBCBOIJX-WCQYABFASA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573541875 946789655 /nfs/dbraw/zinc/78/96/55/946789655.db2.gz WIXYKQAMVNTQSF-UHIISALHSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573541875 946789659 /nfs/dbraw/zinc/78/96/59/946789659.db2.gz WIXYKQAMVNTQSF-UHIISALHSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573541911 946790834 /nfs/dbraw/zinc/79/08/34/946790834.db2.gz XVZDPOPQENFBGP-JOYOIKCWSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573541911 946790837 /nfs/dbraw/zinc/79/08/37/946790837.db2.gz XVZDPOPQENFBGP-JOYOIKCWSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001573542243 946794464 /nfs/dbraw/zinc/79/44/64/946794464.db2.gz CUOGOZMHPCGOPV-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001573542243 946794470 /nfs/dbraw/zinc/79/44/70/946794470.db2.gz CUOGOZMHPCGOPV-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573542670 946796557 /nfs/dbraw/zinc/79/65/57/946796557.db2.gz KRMHYSNMBWMXHK-BXUZGUMPSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573542670 946796562 /nfs/dbraw/zinc/79/65/62/946796562.db2.gz KRMHYSNMBWMXHK-BXUZGUMPSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573543022 946803703 /nfs/dbraw/zinc/80/37/03/946803703.db2.gz SIOYBRRKSUJTFW-YRGRVCCFSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573543022 946803717 /nfs/dbraw/zinc/80/37/17/946803717.db2.gz SIOYBRRKSUJTFW-YRGRVCCFSA-N -1 1 387.448 0.267 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573543078 946807559 /nfs/dbraw/zinc/80/75/59/946807559.db2.gz UHVQUBNSWSNYQO-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1c[nH]c(C)c1C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573543078 946807566 /nfs/dbraw/zinc/80/75/66/946807566.db2.gz UHVQUBNSWSNYQO-QMMMGPOBSA-N -1 1 384.404 0.482 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001573546982 946824702 /nfs/dbraw/zinc/82/47/02/946824702.db2.gz DOJKSKDDNTZJTP-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001573546982 946824720 /nfs/dbraw/zinc/82/47/20/946824720.db2.gz DOJKSKDDNTZJTP-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001573547029 946825943 /nfs/dbraw/zinc/82/59/43/946825943.db2.gz UOEGUEJXWKTFFQ-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(=O)Nc1cccc(C(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001573547029 946825951 /nfs/dbraw/zinc/82/59/51/946825951.db2.gz UOEGUEJXWKTFFQ-UHFFFAOYSA-N -1 1 381.400 0.481 20 0 GCADMM CC(C)[C@H](CNS(=O)(=O)c1scnc1C(=O)[O-])N1CCN(C)CC1 ZINC000326328004 971283957 /nfs/dbraw/zinc/28/39/57/971283957.db2.gz CWCMJTIUZCAVAC-NSHDSACASA-N -1 1 376.504 0.392 20 0 GCADMM CC(=O)Nc1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1C ZINC001573548943 946863213 /nfs/dbraw/zinc/86/32/13/946863213.db2.gz XWAAKXKHADLXBJ-UHFFFAOYSA-N -1 1 384.356 0.035 20 0 GCADMM CC(=O)c1c(C)[nH]c(C(=O)Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)c1C ZINC001573552457 946878099 /nfs/dbraw/zinc/87/80/99/946878099.db2.gz PJKFVZBQTGGXBA-UHFFFAOYSA-N -1 1 385.384 0.066 20 0 GCADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(F)c3)C2)nn1 ZINC001573558288 946938438 /nfs/dbraw/zinc/93/84/38/946938438.db2.gz IRRPABMNYINXKB-UHFFFAOYSA-N -1 1 392.376 0.046 20 0 GCADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824975809 947017644 /nfs/dbraw/zinc/01/76/44/947017644.db2.gz LLMJDPYEBBASSS-GHMZBOCLSA-N -1 1 391.436 0.315 20 0 GCADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824975816 947018034 /nfs/dbraw/zinc/01/80/34/947018034.db2.gz LLMJDPYEBBASSS-MNOVXSKESA-N -1 1 391.436 0.315 20 0 GCADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825205971 947118143 /nfs/dbraw/zinc/11/81/43/947118143.db2.gz YGEMWQVXWPHWAK-AAEUAGOBSA-N -1 1 387.444 0.859 20 0 GCADMM CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825205971 947118152 /nfs/dbraw/zinc/11/81/52/947118152.db2.gz YGEMWQVXWPHWAK-AAEUAGOBSA-N -1 1 387.444 0.859 20 0 GCADMM CCCCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000825281389 947140794 /nfs/dbraw/zinc/14/07/94/947140794.db2.gz CIEDQDZETGJULZ-NSHDSACASA-N -1 1 382.446 0.521 20 0 GCADMM CCCCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000825281389 947140802 /nfs/dbraw/zinc/14/08/02/947140802.db2.gz CIEDQDZETGJULZ-NSHDSACASA-N -1 1 382.446 0.521 20 0 GCADMM CCNC(=O)COc1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825470929 947197319 /nfs/dbraw/zinc/19/73/19/947197319.db2.gz JQGSQMYABATSBN-UHFFFAOYSA-N -1 1 399.411 0.537 20 0 GCADMM CCNC(=O)COc1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825470929 947197326 /nfs/dbraw/zinc/19/73/26/947197326.db2.gz JQGSQMYABATSBN-UHFFFAOYSA-N -1 1 399.411 0.537 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)NCc2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000825565309 947223914 /nfs/dbraw/zinc/22/39/14/947223914.db2.gz QOYJECFVXMNHJS-UHFFFAOYSA-N -1 1 385.384 0.565 20 0 GCADMM CCOC(=O)c1cnn(CC(=O)N2CCc3sccc3C2)c1-c1nn[n-]n1 ZINC000825565296 947224856 /nfs/dbraw/zinc/22/48/56/947224856.db2.gz QKHLLSNOYNPCRW-UHFFFAOYSA-N -1 1 387.425 0.886 20 0 GCADMM CCOc1ccnc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)n1 ZINC000825658153 947280420 /nfs/dbraw/zinc/28/04/20/947280420.db2.gz AXOLZZHEWVZRNW-UHFFFAOYSA-N -1 1 399.415 0.243 20 0 GCADMM CCOc1ccnc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)n1 ZINC000825658153 947280426 /nfs/dbraw/zinc/28/04/26/947280426.db2.gz AXOLZZHEWVZRNW-UHFFFAOYSA-N -1 1 399.415 0.243 20 0 GCADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)n1cncn1 ZINC001573591561 947315845 /nfs/dbraw/zinc/31/58/45/947315845.db2.gz CVKCDQYEHMCBDT-LLVKDONJSA-N -1 1 385.436 0.406 20 0 GCADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)n1cncn1 ZINC001573591561 947315862 /nfs/dbraw/zinc/31/58/62/947315862.db2.gz CVKCDQYEHMCBDT-LLVKDONJSA-N -1 1 385.436 0.406 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573591568 947316025 /nfs/dbraw/zinc/31/60/25/947316025.db2.gz DAFUMYMKSIFCLW-VXGBXAGGSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573591568 947316038 /nfs/dbraw/zinc/31/60/38/947316038.db2.gz DAFUMYMKSIFCLW-VXGBXAGGSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573591758 947320011 /nfs/dbraw/zinc/32/00/11/947320011.db2.gz FGXVPIQYWNTREX-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573591758 947320024 /nfs/dbraw/zinc/32/00/24/947320024.db2.gz FGXVPIQYWNTREX-DGCLKSJQSA-N -1 1 382.432 0.231 20 0 GCADMM CCc1nsc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)n1 ZINC000825777558 947327229 /nfs/dbraw/zinc/32/72/29/947327229.db2.gz YAUUTLKZXNWAEY-UHFFFAOYSA-N -1 1 389.445 0.468 20 0 GCADMM CCc1nsc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)n1 ZINC000825777558 947327241 /nfs/dbraw/zinc/32/72/41/947327241.db2.gz YAUUTLKZXNWAEY-UHFFFAOYSA-N -1 1 389.445 0.468 20 0 GCADMM CCn1ccnc1CN1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825805254 947337877 /nfs/dbraw/zinc/33/78/77/947337877.db2.gz ZJBAZTHKDQDSNZ-UHFFFAOYSA-N -1 1 399.459 0.657 20 0 GCADMM CCn1ccnc1CN1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825805254 947337889 /nfs/dbraw/zinc/33/78/89/947337889.db2.gz ZJBAZTHKDQDSNZ-UHFFFAOYSA-N -1 1 399.459 0.657 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573592562 947338949 /nfs/dbraw/zinc/33/89/49/947338949.db2.gz KKHCLYQHCUZQEA-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573592562 947338959 /nfs/dbraw/zinc/33/89/59/947338959.db2.gz KKHCLYQHCUZQEA-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573592641 947344047 /nfs/dbraw/zinc/34/40/47/947344047.db2.gz LPXZJLFAVHORQO-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n(C)c1 ZINC000825875295 947352215 /nfs/dbraw/zinc/35/22/15/947352215.db2.gz IUWVINSJOPRYPS-UHFFFAOYSA-N -1 1 391.413 0.208 20 0 GCADMM CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n(C)c1 ZINC000825875295 947352228 /nfs/dbraw/zinc/35/22/28/947352228.db2.gz IUWVINSJOPRYPS-UHFFFAOYSA-N -1 1 391.413 0.208 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573592888 947356903 /nfs/dbraw/zinc/35/69/03/947356903.db2.gz ODPAXSJYEGYLPF-VHSXEESVSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573592888 947356913 /nfs/dbraw/zinc/35/69/13/947356913.db2.gz ODPAXSJYEGYLPF-VHSXEESVSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573593749 947378637 /nfs/dbraw/zinc/37/86/37/947378637.db2.gz VMRWKAQUIGVHBS-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573593749 947378650 /nfs/dbraw/zinc/37/86/50/947378650.db2.gz VMRWKAQUIGVHBS-GXTWGEPZSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573593753 947378823 /nfs/dbraw/zinc/37/88/23/947378823.db2.gz VMRWKAQUIGVHBS-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573593753 947378841 /nfs/dbraw/zinc/37/88/41/947378841.db2.gz VMRWKAQUIGVHBS-OCCSQVGLSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573594503 947398033 /nfs/dbraw/zinc/39/80/33/947398033.db2.gz BITBMMYXNOVIAM-PWSUYJOCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573594503 947398046 /nfs/dbraw/zinc/39/80/46/947398046.db2.gz BITBMMYXNOVIAM-PWSUYJOCSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573594658 947404176 /nfs/dbraw/zinc/40/41/76/947404176.db2.gz BWPKBPUKRUGUHH-YPMHNXCESA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573594658 947404184 /nfs/dbraw/zinc/40/41/84/947404184.db2.gz BWPKBPUKRUGUHH-YPMHNXCESA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573595048 947414633 /nfs/dbraw/zinc/41/46/33/947414633.db2.gz FHGZZIXDIYMHDS-GXTWGEPZSA-N -1 1 388.476 0.739 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573595048 947414637 /nfs/dbraw/zinc/41/46/37/947414637.db2.gz FHGZZIXDIYMHDS-GXTWGEPZSA-N -1 1 388.476 0.739 20 0 GCADMM CNS(=O)(=O)c1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccc1C ZINC000826090780 947423633 /nfs/dbraw/zinc/42/36/33/947423633.db2.gz OSBOPRPIOLOOII-UHFFFAOYSA-N -1 1 391.413 0.561 20 0 GCADMM CNS(=O)(=O)c1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccc1C ZINC000826090780 947423638 /nfs/dbraw/zinc/42/36/38/947423638.db2.gz OSBOPRPIOLOOII-UHFFFAOYSA-N -1 1 391.413 0.561 20 0 GCADMM COC(=O)C1=C(C)O[C@@H](Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)C1 ZINC000826128192 947440792 /nfs/dbraw/zinc/44/07/92/947440792.db2.gz ABKGPMOONJCZQH-SNVBAGLBSA-N -1 1 375.341 0.051 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573598313 947442274 /nfs/dbraw/zinc/44/22/74/947442274.db2.gz QAKZFZCNSVUFCV-MNOVXSKESA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573598313 947442279 /nfs/dbraw/zinc/44/22/79/947442279.db2.gz QAKZFZCNSVUFCV-MNOVXSKESA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573599412 947455000 /nfs/dbraw/zinc/45/50/00/947455000.db2.gz XUXLOPJZLQAVER-DGCLKSJQSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573599412 947455009 /nfs/dbraw/zinc/45/50/09/947455009.db2.gz XUXLOPJZLQAVER-DGCLKSJQSA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573599613 947457527 /nfs/dbraw/zinc/45/75/27/947457527.db2.gz YSZWPCGNOBJYPJ-BDAKNGLRSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573599613 947457533 /nfs/dbraw/zinc/45/75/33/947457533.db2.gz YSZWPCGNOBJYPJ-BDAKNGLRSA-N -1 1 388.354 0.111 20 0 GCADMM COCC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000826153402 947483996 /nfs/dbraw/zinc/48/39/96/947483996.db2.gz MMKWZULVHYNBPL-UHFFFAOYSA-N -1 1 390.448 0.642 20 0 GCADMM COCC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000826153402 947483999 /nfs/dbraw/zinc/48/39/99/947483999.db2.gz MMKWZULVHYNBPL-UHFFFAOYSA-N -1 1 390.448 0.642 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573613585 947565141 /nfs/dbraw/zinc/56/51/41/947565141.db2.gz CXVJNKNPPLPDIE-MCIONIFRSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573613585 947565143 /nfs/dbraw/zinc/56/51/43/947565143.db2.gz CXVJNKNPPLPDIE-MCIONIFRSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573613893 947573233 /nfs/dbraw/zinc/57/32/33/947573233.db2.gz BJHMXOQPVVLDFB-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573613893 947573239 /nfs/dbraw/zinc/57/32/39/947573239.db2.gz BJHMXOQPVVLDFB-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573613884 947574039 /nfs/dbraw/zinc/57/40/39/947574039.db2.gz BBZLOKVYLIKPDM-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573613884 947574048 /nfs/dbraw/zinc/57/40/48/947574048.db2.gz BBZLOKVYLIKPDM-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573614153 947578517 /nfs/dbraw/zinc/57/85/17/947578517.db2.gz CKSYAXARYBUNQR-NEPJUHHUSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573614153 947578528 /nfs/dbraw/zinc/57/85/28/947578528.db2.gz CKSYAXARYBUNQR-NEPJUHHUSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573614326 947582974 /nfs/dbraw/zinc/58/29/74/947582974.db2.gz LWYZLHQTZSUROS-IUCAKERBSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573614443 947585954 /nfs/dbraw/zinc/58/59/54/947585954.db2.gz FFTHSMUKVBDQDD-TZMCWYRMSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573614619 947588013 /nfs/dbraw/zinc/58/80/13/947588013.db2.gz NRJHVZJIRYIDRF-PXAZEXFGSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573614619 947588021 /nfs/dbraw/zinc/58/80/21/947588021.db2.gz NRJHVZJIRYIDRF-PXAZEXFGSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573615065 947598076 /nfs/dbraw/zinc/59/80/76/947598076.db2.gz PYXZPKNGQJALNQ-RWMBFGLXSA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573615176 947599127 /nfs/dbraw/zinc/59/91/27/947599127.db2.gz IJNGDRODJZTUSR-ZDUSSCGKSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573615192 947600753 /nfs/dbraw/zinc/60/07/53/947600753.db2.gz IWCXBWPUXBBEOZ-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573615192 947600760 /nfs/dbraw/zinc/60/07/60/947600760.db2.gz IWCXBWPUXBBEOZ-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573615277 947601135 /nfs/dbraw/zinc/60/11/35/947601135.db2.gz CXYZXDZJFDDKSG-DOMZBBRYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573615277 947601148 /nfs/dbraw/zinc/60/11/48/947601148.db2.gz CXYZXDZJFDDKSG-DOMZBBRYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cncn1 ZINC001573615553 947605751 /nfs/dbraw/zinc/60/57/51/947605751.db2.gz SJCCVFBHOJNFPG-GHMZBOCLSA-N -1 1 383.420 0.158 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cncn1 ZINC001573615553 947605761 /nfs/dbraw/zinc/60/57/61/947605761.db2.gz SJCCVFBHOJNFPG-GHMZBOCLSA-N -1 1 383.420 0.158 20 0 GCADMM C=Cc1ccc(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573351045 947608165 /nfs/dbraw/zinc/60/81/65/947608165.db2.gz ISKMBIZOJXBAMH-UHFFFAOYSA-N -1 1 380.412 0.846 20 0 GCADMM C=Cc1ccc(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573351045 947608168 /nfs/dbraw/zinc/60/81/68/947608168.db2.gz ISKMBIZOJXBAMH-UHFFFAOYSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573615932 947612525 /nfs/dbraw/zinc/61/25/25/947612525.db2.gz LEYAVFKNVMEGRM-CHWSQXEVSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573615932 947612531 /nfs/dbraw/zinc/61/25/31/947612531.db2.gz LEYAVFKNVMEGRM-CHWSQXEVSA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573616222 947620089 /nfs/dbraw/zinc/62/00/89/947620089.db2.gz MDNNTEZGHJXDRW-BZNIZROVSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573616222 947620093 /nfs/dbraw/zinc/62/00/93/947620093.db2.gz MDNNTEZGHJXDRW-BZNIZROVSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573616436 947620504 /nfs/dbraw/zinc/62/05/04/947620504.db2.gz IMMIEIMFMRGDNM-LBPRGKRZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573616436 947620510 /nfs/dbraw/zinc/62/05/10/947620510.db2.gz IMMIEIMFMRGDNM-LBPRGKRZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cccn1 ZINC001573616434 947621415 /nfs/dbraw/zinc/62/14/15/947621415.db2.gz WGBLMNUKSISEDP-YPMHNXCESA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cccn1 ZINC001573616434 947621423 /nfs/dbraw/zinc/62/14/23/947621423.db2.gz WGBLMNUKSISEDP-YPMHNXCESA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)n1cccn1 ZINC001573616457 947622494 /nfs/dbraw/zinc/62/24/94/947622494.db2.gz WKNXFTZJVDCASR-WCQYABFASA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)n1cccn1 ZINC001573616457 947622499 /nfs/dbraw/zinc/62/24/99/947622499.db2.gz WKNXFTZJVDCASR-WCQYABFASA-N -1 1 382.432 0.763 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573355085 947641014 /nfs/dbraw/zinc/64/10/14/947641014.db2.gz MDTZPXBZGXOCAU-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1 ZINC001573355367 947642876 /nfs/dbraw/zinc/64/28/76/947642876.db2.gz OJLIOFCYXWNUHI-GJZGRUSLSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573355956 947647925 /nfs/dbraw/zinc/64/79/25/947647925.db2.gz TXBYTCTWOWASSA-LJQANCHMSA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573355956 947647935 /nfs/dbraw/zinc/64/79/35/947647935.db2.gz TXBYTCTWOWASSA-LJQANCHMSA-N -1 1 392.423 0.671 20 0 GCADMM COc1ccccc1N1CC[C@H](NC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1=O ZINC000826220161 947652217 /nfs/dbraw/zinc/65/22/17/947652217.db2.gz DOIXRBOFZISZGO-NSHDSACASA-N -1 1 397.395 0.636 20 0 GCADMM COc1ccccc1N1CC[C@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1=O ZINC000826220161 947652226 /nfs/dbraw/zinc/65/22/26/947652226.db2.gz DOIXRBOFZISZGO-NSHDSACASA-N -1 1 397.395 0.636 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)cc1 ZINC001573358160 947657685 /nfs/dbraw/zinc/65/76/85/947657685.db2.gz BLLKAPSZOFQHMI-ZIAGYGMSSA-N -1 1 378.396 0.279 20 0 GCADMM C/C(=C/C(=O)N(C)CCOCCN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573358587 947665418 /nfs/dbraw/zinc/66/54/18/947665418.db2.gz MMTNRDLPMDZCLK-SEYXRHQNSA-N -1 1 386.460 0.924 20 0 GCADMM C/C(=C/C(=O)N(C)CCOCCN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573358587 947665425 /nfs/dbraw/zinc/66/54/25/947665425.db2.gz MMTNRDLPMDZCLK-SEYXRHQNSA-N -1 1 386.460 0.924 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573619360 947665756 /nfs/dbraw/zinc/66/57/56/947665756.db2.gz VOYHHTSQRHOMRN-STQMWFEESA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573619360 947665761 /nfs/dbraw/zinc/66/57/61/947665761.db2.gz VOYHHTSQRHOMRN-STQMWFEESA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573619602 947666807 /nfs/dbraw/zinc/66/68/07/947666807.db2.gz WDWKKXWQMXSHQF-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573619602 947666811 /nfs/dbraw/zinc/66/68/11/947666811.db2.gz WDWKKXWQMXSHQF-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573619881 947672106 /nfs/dbraw/zinc/67/21/06/947672106.db2.gz XEOWPUDCDWLHPN-YVEFUNNKSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573619881 947672112 /nfs/dbraw/zinc/67/21/12/947672112.db2.gz XEOWPUDCDWLHPN-YVEFUNNKSA-N -1 1 382.432 0.765 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2OC)cc1 ZINC001573359175 947680519 /nfs/dbraw/zinc/68/05/19/947680519.db2.gz PVMPOBJCFSIOCY-HUUCEWRRSA-N -1 1 392.423 0.933 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2OC)cc1 ZINC001573359175 947680526 /nfs/dbraw/zinc/68/05/26/947680526.db2.gz PVMPOBJCFSIOCY-HUUCEWRRSA-N -1 1 392.423 0.933 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]2O)cc1 ZINC001573359455 947686226 /nfs/dbraw/zinc/68/62/26/947686226.db2.gz UQNJFEOGEKTYOG-CVEARBPZSA-N -1 1 392.423 0.588 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]2O)cc1 ZINC001573359455 947686232 /nfs/dbraw/zinc/68/62/32/947686232.db2.gz UQNJFEOGEKTYOG-CVEARBPZSA-N -1 1 392.423 0.588 20 0 GCADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001573626335 947709446 /nfs/dbraw/zinc/70/94/46/947709446.db2.gz SYNZBLNVYHHRFK-LLVKDONJSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573626335 947709453 /nfs/dbraw/zinc/70/94/53/947709453.db2.gz SYNZBLNVYHHRFK-LLVKDONJSA-N -1 1 382.432 0.597 20 0 GCADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cnccn1 ZINC001573363427 947710686 /nfs/dbraw/zinc/71/06/86/947710686.db2.gz NVHVIUNAJXXSFI-SRXBQZRASA-N -1 1 392.427 0.587 20 0 GCADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cnccn1 ZINC001573363427 947710693 /nfs/dbraw/zinc/71/06/93/947710693.db2.gz NVHVIUNAJXXSFI-SRXBQZRASA-N -1 1 392.427 0.587 20 0 GCADMM C[C@H](C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(C)C ZINC001573626912 947714517 /nfs/dbraw/zinc/71/45/17/947714517.db2.gz XJBVJPKYDZONGE-GFCCVEGCSA-N -1 1 388.476 0.526 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573627364 947721931 /nfs/dbraw/zinc/72/19/31/947721931.db2.gz AJKYUBYNKSOHHX-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573627364 947721936 /nfs/dbraw/zinc/72/19/36/947721936.db2.gz AJKYUBYNKSOHHX-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573627438 947725389 /nfs/dbraw/zinc/72/53/89/947725389.db2.gz BKRGGONEQLSPNS-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573627438 947725396 /nfs/dbraw/zinc/72/53/96/947725396.db2.gz BKRGGONEQLSPNS-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573627791 947735636 /nfs/dbraw/zinc/73/56/36/947735636.db2.gz CKYMTGWGNFOOIJ-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573627791 947735646 /nfs/dbraw/zinc/73/56/46/947735646.db2.gz CKYMTGWGNFOOIJ-VXGBXAGGSA-N -1 1 383.420 0.160 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573628110 947744673 /nfs/dbraw/zinc/74/46/73/947744673.db2.gz ISNUWCMMDGOKRB-ZIAGYGMSSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573628137 947745632 /nfs/dbraw/zinc/74/56/32/947745632.db2.gz FNNKHRFSIAMYGI-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573628137 947745640 /nfs/dbraw/zinc/74/56/40/947745640.db2.gz FNNKHRFSIAMYGI-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C/C(=C\C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O)C1CC1 ZINC001573366846 947747319 /nfs/dbraw/zinc/74/73/19/947747319.db2.gz YVTORVNLLYBVFJ-WQFVMHTJSA-N -1 1 395.876 0.999 20 0 GCADMM C/C(=C\C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O)C1CC1 ZINC001573366846 947747331 /nfs/dbraw/zinc/74/73/31/947747331.db2.gz YVTORVNLLYBVFJ-WQFVMHTJSA-N -1 1 395.876 0.999 20 0 GCADMM C/C(=C/C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O)C1CC1 ZINC001573366844 947748322 /nfs/dbraw/zinc/74/83/22/947748322.db2.gz YVTORVNLLYBVFJ-UPINEFLWSA-N -1 1 395.876 0.999 20 0 GCADMM C/C(=C/C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O)C1CC1 ZINC001573366844 947748328 /nfs/dbraw/zinc/74/83/28/947748328.db2.gz YVTORVNLLYBVFJ-UPINEFLWSA-N -1 1 395.876 0.999 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573628278 947751331 /nfs/dbraw/zinc/75/13/31/947751331.db2.gz KEDSXXZDCZCUDA-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573628278 947751333 /nfs/dbraw/zinc/75/13/33/947751333.db2.gz KEDSXXZDCZCUDA-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573628883 947767723 /nfs/dbraw/zinc/76/77/23/947767723.db2.gz OVQAYVSRIKFOHU-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573628883 947767728 /nfs/dbraw/zinc/76/77/28/947767728.db2.gz OVQAYVSRIKFOHU-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573630616 947795475 /nfs/dbraw/zinc/79/54/75/947795475.db2.gz ZUOFRCZFKVWDOA-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573630616 947795488 /nfs/dbraw/zinc/79/54/88/947795488.db2.gz ZUOFRCZFKVWDOA-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573631112 947797309 /nfs/dbraw/zinc/79/73/09/947797309.db2.gz SZXMRRMMGVPXNG-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573631112 947797313 /nfs/dbraw/zinc/79/73/13/947797313.db2.gz SZXMRRMMGVPXNG-OLZOCXBDSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573631453 947801688 /nfs/dbraw/zinc/80/16/88/947801688.db2.gz VFSLTWUAFAKESA-GXTWGEPZSA-N -1 1 379.428 0.680 20 0 GCADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573637497 947815652 /nfs/dbraw/zinc/81/56/52/947815652.db2.gz GMOBFFAWLRQWTG-JSGCOSHPSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cnn(C)c1 ZINC001573637710 947820903 /nfs/dbraw/zinc/82/09/03/947820903.db2.gz NWPXMMSWJMMEJJ-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cnn(C)c1 ZINC001573637710 947820913 /nfs/dbraw/zinc/82/09/13/947820913.db2.gz NWPXMMSWJMMEJJ-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573375547 947821238 /nfs/dbraw/zinc/82/12/38/947821238.db2.gz OCSVQGSQRLKDAJ-CQSZACIVSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573375547 947821246 /nfs/dbraw/zinc/82/12/46/947821246.db2.gz OCSVQGSQRLKDAJ-CQSZACIVSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573375619 947823969 /nfs/dbraw/zinc/82/39/69/947823969.db2.gz PLERSNDKAGWDCK-AWEZNQCLSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573375619 947823976 /nfs/dbraw/zinc/82/39/76/947823976.db2.gz PLERSNDKAGWDCK-AWEZNQCLSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001573637784 947824217 /nfs/dbraw/zinc/82/42/17/947824217.db2.gz QOSLFOSCNGSNOB-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001573637784 947824224 /nfs/dbraw/zinc/82/42/24/947824224.db2.gz QOSLFOSCNGSNOB-LBPRGKRZSA-N -1 1 382.432 0.233 20 0 GCADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573375846 947826494 /nfs/dbraw/zinc/82/64/94/947826494.db2.gz QPFDAWFPRGZXHL-QWHCGFSZSA-N -1 1 384.444 0.677 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573375941 947828027 /nfs/dbraw/zinc/82/80/27/947828027.db2.gz UXTMMTFKOLUYGY-DZGCQCFKSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573375941 947828031 /nfs/dbraw/zinc/82/80/31/947828031.db2.gz UXTMMTFKOLUYGY-DZGCQCFKSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573375948 947828068 /nfs/dbraw/zinc/82/80/68/947828068.db2.gz UXTMMTFKOLUYGY-UKRRQHHQSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573375948 947828071 /nfs/dbraw/zinc/82/80/71/947828071.db2.gz UXTMMTFKOLUYGY-UKRRQHHQSA-N -1 1 384.444 0.843 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376086 947828563 /nfs/dbraw/zinc/82/85/63/947828563.db2.gz WILPSTLCESOOHW-UONOGXRCSA-N -1 1 386.460 0.877 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573376283 947833826 /nfs/dbraw/zinc/83/38/26/947833826.db2.gz XJQLKPOPAFVJHS-QGZVFWFLSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573376283 947833830 /nfs/dbraw/zinc/83/38/30/947833830.db2.gz XJQLKPOPAFVJHS-QGZVFWFLSA-N -1 1 388.432 0.181 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573376440 947836848 /nfs/dbraw/zinc/83/68/48/947836848.db2.gz VMGXWOLPHXTMJE-IHRRRGAJSA-N -1 1 384.444 0.890 20 0 GCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573376440 947836853 /nfs/dbraw/zinc/83/68/53/947836853.db2.gz VMGXWOLPHXTMJE-IHRRRGAJSA-N -1 1 384.444 0.890 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573377712 947850769 /nfs/dbraw/zinc/85/07/69/947850769.db2.gz QZMKMUHQZMFCMY-OCCSQVGLSA-N -1 1 388.432 0.444 20 0 GCADMM CC(=O)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573377712 947850774 /nfs/dbraw/zinc/85/07/74/947850774.db2.gz QZMKMUHQZMFCMY-OCCSQVGLSA-N -1 1 388.432 0.444 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573640623 947852045 /nfs/dbraw/zinc/85/20/45/947852045.db2.gz ILCBGWMYUWAOCG-IUCAKERBSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573640623 947852051 /nfs/dbraw/zinc/85/20/51/947852051.db2.gz ILCBGWMYUWAOCG-IUCAKERBSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573640621 947853343 /nfs/dbraw/zinc/85/33/43/947853343.db2.gz ILCBGWMYUWAOCG-DTWKUNHWSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573640621 947853349 /nfs/dbraw/zinc/85/33/49/947853349.db2.gz ILCBGWMYUWAOCG-DTWKUNHWSA-N -1 1 386.338 0.494 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccn1 ZINC001573640883 947854866 /nfs/dbraw/zinc/85/48/66/947854866.db2.gz JPXDNDJELBRMGN-STQMWFEESA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccn1 ZINC001573640883 947854877 /nfs/dbraw/zinc/85/48/77/947854877.db2.gz JPXDNDJELBRMGN-STQMWFEESA-N -1 1 379.428 0.893 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573380290 947855945 /nfs/dbraw/zinc/85/59/45/947855945.db2.gz AHTUULNXESCDGY-MRVPVSSYSA-N -1 1 387.853 0.625 20 0 GCADMM CC(=O)CCCC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573380290 947855958 /nfs/dbraw/zinc/85/59/58/947855958.db2.gz AHTUULNXESCDGY-MRVPVSSYSA-N -1 1 387.853 0.625 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573641220 947855910 /nfs/dbraw/zinc/85/59/10/947855910.db2.gz LONQEWUPUKVWLQ-CHWSQXEVSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573641220 947855923 /nfs/dbraw/zinc/85/59/23/947855923.db2.gz LONQEWUPUKVWLQ-CHWSQXEVSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573641803 947859652 /nfs/dbraw/zinc/85/96/52/947859652.db2.gz NIVIIYDEFMMAEQ-STQMWFEESA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573641803 947859664 /nfs/dbraw/zinc/85/96/64/947859664.db2.gz NIVIIYDEFMMAEQ-STQMWFEESA-N -1 1 383.416 0.359 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573641776 947859681 /nfs/dbraw/zinc/85/96/81/947859681.db2.gz NFDCGKNHKBHFGR-NXEZZACHSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@H](C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573641776 947859691 /nfs/dbraw/zinc/85/96/91/947859691.db2.gz NFDCGKNHKBHFGR-NXEZZACHSA-N -1 1 382.375 0.587 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573641837 947860004 /nfs/dbraw/zinc/86/00/04/947860004.db2.gz NXEBULPGMKKNBT-TZMCWYRMSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573642314 947860904 /nfs/dbraw/zinc/86/09/04/947860904.db2.gz PWZBQFWVXFHRHY-QWHCGFSZSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573642314 947860915 /nfs/dbraw/zinc/86/09/15/947860915.db2.gz PWZBQFWVXFHRHY-QWHCGFSZSA-N -1 1 383.416 0.359 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573643533 947864982 /nfs/dbraw/zinc/86/49/82/947864982.db2.gz UWDBAJLBNAAWTK-NEPJUHHUSA-N -1 1 384.400 0.693 20 0 GCADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573643533 947864992 /nfs/dbraw/zinc/86/49/92/947864992.db2.gz UWDBAJLBNAAWTK-NEPJUHHUSA-N -1 1 384.400 0.693 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573381214 947870744 /nfs/dbraw/zinc/87/07/44/947870744.db2.gz QSIVFHYUEFUPKU-MRVPVSSYSA-N -1 1 387.853 0.625 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573381214 947870749 /nfs/dbraw/zinc/87/07/49/947870749.db2.gz QSIVFHYUEFUPKU-MRVPVSSYSA-N -1 1 387.853 0.625 20 0 GCADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001573645971 947872393 /nfs/dbraw/zinc/87/23/93/947872393.db2.gz FKNCYUUWHTZOSZ-KXUCPTDWSA-N -1 1 382.350 0.892 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(C)(F)F ZINC001573645904 947872416 /nfs/dbraw/zinc/87/24/16/947872416.db2.gz CFVHUFJTUUZDAH-JBLDHEPKSA-N -1 1 378.387 0.985 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(C)(F)F ZINC001573645904 947872422 /nfs/dbraw/zinc/87/24/22/947872422.db2.gz CFVHUFJTUUZDAH-JBLDHEPKSA-N -1 1 378.387 0.985 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cccnc1 ZINC001573646741 947878843 /nfs/dbraw/zinc/87/88/43/947878843.db2.gz RYCWDBQXMZNCHV-IVMMDQJWSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cccnc1 ZINC001573646741 947878847 /nfs/dbraw/zinc/87/88/47/947878847.db2.gz RYCWDBQXMZNCHV-IVMMDQJWSA-N -1 1 391.439 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)n1cccc1 ZINC001573646869 947880658 /nfs/dbraw/zinc/88/06/58/947880658.db2.gz XTVOWXSWGBSKAJ-KCQAQPDRSA-N -1 1 379.428 0.757 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)n1cccc1 ZINC001573646869 947880664 /nfs/dbraw/zinc/88/06/64/947880664.db2.gz XTVOWXSWGBSKAJ-KCQAQPDRSA-N -1 1 379.428 0.757 20 0 GCADMM CC(=O)CCCC(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573382331 947883574 /nfs/dbraw/zinc/88/35/74/947883574.db2.gz FLWHQSLZUGUXCQ-TZMCWYRMSA-N -1 1 386.460 0.995 20 0 GCADMM CC(=O)CCCC(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573382331 947883582 /nfs/dbraw/zinc/88/35/82/947883582.db2.gz FLWHQSLZUGUXCQ-TZMCWYRMSA-N -1 1 386.460 0.995 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cccn1 ZINC001573647110 947884772 /nfs/dbraw/zinc/88/47/72/947884772.db2.gz CFDNUKWDFBZLLE-UPJWGTAASA-N -1 1 380.416 0.009 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cccn1 ZINC001573647110 947884778 /nfs/dbraw/zinc/88/47/78/947884778.db2.gz CFDNUKWDFBZLLE-UPJWGTAASA-N -1 1 380.416 0.009 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001573382870 947888848 /nfs/dbraw/zinc/88/88/48/947888848.db2.gz LSTMAOHNVBTOAO-ZDUSSCGKSA-N -1 1 388.432 0.046 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001573382870 947888852 /nfs/dbraw/zinc/88/88/52/947888852.db2.gz LSTMAOHNVBTOAO-ZDUSSCGKSA-N -1 1 388.432 0.046 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001573383819 947895839 /nfs/dbraw/zinc/89/58/39/947895839.db2.gz XSIBVFTXJRNYAC-ZDUSSCGKSA-N -1 1 388.432 0.128 20 0 GCADMM CC(=O)CCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001573383819 947895848 /nfs/dbraw/zinc/89/58/48/947895848.db2.gz XSIBVFTXJRNYAC-ZDUSSCGKSA-N -1 1 388.432 0.128 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573647515 947897069 /nfs/dbraw/zinc/89/70/69/947897069.db2.gz NGJCXUQTLZKNRK-GMTAPVOTSA-N -1 1 391.436 0.391 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cccn1 ZINC001573647573 947898988 /nfs/dbraw/zinc/89/89/88/947898988.db2.gz PFIYEFUHVOQQLC-JHJVBQTASA-N -1 1 382.432 0.621 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cccn1 ZINC001573647573 947898997 /nfs/dbraw/zinc/89/89/97/947898997.db2.gz PFIYEFUHVOQQLC-JHJVBQTASA-N -1 1 382.432 0.621 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(C)(F)F ZINC001573647616 947899069 /nfs/dbraw/zinc/89/90/69/947899069.db2.gz QKHODVVORCKNEP-MXWKQRLJSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(C)(F)F ZINC001573647616 947899078 /nfs/dbraw/zinc/89/90/78/947899078.db2.gz QKHODVVORCKNEP-MXWKQRLJSA-N -1 1 378.387 0.843 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)n1cccc1 ZINC001573647606 947899376 /nfs/dbraw/zinc/89/93/76/947899376.db2.gz QBEOAYQCGIBXTP-MCIONIFRSA-N -1 1 379.428 0.614 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)n1cccc1 ZINC001573647606 947899386 /nfs/dbraw/zinc/89/93/86/947899386.db2.gz QBEOAYQCGIBXTP-MCIONIFRSA-N -1 1 379.428 0.614 20 0 GCADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573384613 947906482 /nfs/dbraw/zinc/90/64/82/947906482.db2.gz UAXLDHAQGRLUNW-UGSOOPFHSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573384745 947909068 /nfs/dbraw/zinc/90/90/68/947909068.db2.gz WBGRZGMXZINAKM-UGSOOPFHSA-N -1 1 384.444 0.891 20 0 GCADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573384745 947909079 /nfs/dbraw/zinc/90/90/79/947909079.db2.gz WBGRZGMXZINAKM-UGSOOPFHSA-N -1 1 384.444 0.891 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)n1cccn1 ZINC001573650376 947910381 /nfs/dbraw/zinc/91/03/81/947910381.db2.gz AYIUYBODVYFWMZ-UPJWGTAASA-N -1 1 380.416 0.009 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)n1cccn1 ZINC001573650376 947910392 /nfs/dbraw/zinc/91/03/92/947910392.db2.gz AYIUYBODVYFWMZ-UPJWGTAASA-N -1 1 380.416 0.009 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573650991 947914830 /nfs/dbraw/zinc/91/48/30/947914830.db2.gz HRBQZGLFCJULTA-XPCVCDNBSA-N -1 1 384.444 0.366 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573650991 947914839 /nfs/dbraw/zinc/91/48/39/947914839.db2.gz HRBQZGLFCJULTA-XPCVCDNBSA-N -1 1 384.444 0.366 20 0 GCADMM CC(=O)N(C)C1CCN(c2nnc(C)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001573388320 947918692 /nfs/dbraw/zinc/91/86/92/947918692.db2.gz KXKDDCBFPVTPQI-UHFFFAOYSA-N -1 1 385.432 0.855 20 0 GCADMM CC(=O)N(C)C1CCN(c2nnc(C)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573388320 947918703 /nfs/dbraw/zinc/91/87/03/947918703.db2.gz KXKDDCBFPVTPQI-UHFFFAOYSA-N -1 1 385.432 0.855 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573388597 947921119 /nfs/dbraw/zinc/92/11/19/947921119.db2.gz MNDAHXGZJHMEMY-UHFFFAOYSA-N -1 1 386.869 0.350 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573388597 947921123 /nfs/dbraw/zinc/92/11/23/947921123.db2.gz MNDAHXGZJHMEMY-UHFFFAOYSA-N -1 1 386.869 0.350 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573389049 947923009 /nfs/dbraw/zinc/92/30/09/947923009.db2.gz PHKVRFLVBAJMGR-LLVKDONJSA-N -1 1 378.462 0.147 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573389518 947924465 /nfs/dbraw/zinc/92/44/65/947924465.db2.gz RYBXWFPFXQCDOJ-ZDUSSCGKSA-N -1 1 387.448 0.092 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573389518 947924468 /nfs/dbraw/zinc/92/44/68/947924468.db2.gz RYBXWFPFXQCDOJ-ZDUSSCGKSA-N -1 1 387.448 0.092 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)n1cccn1 ZINC001573651866 947924751 /nfs/dbraw/zinc/92/47/51/947924751.db2.gz QCKYEGDRIIKWAI-MJBXVCDLSA-N -1 1 394.443 0.399 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)n1cccn1 ZINC001573651866 947924755 /nfs/dbraw/zinc/92/47/55/947924755.db2.gz QCKYEGDRIIKWAI-MJBXVCDLSA-N -1 1 394.443 0.399 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)n1cccn1 ZINC001573652012 947927722 /nfs/dbraw/zinc/92/77/22/947927722.db2.gz UJAKOXNPKKPNCK-RWMBFGLXSA-N -1 1 380.416 0.009 20 0 GCADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)n1cccn1 ZINC001573652012 947927730 /nfs/dbraw/zinc/92/77/30/947927730.db2.gz UJAKOXNPKKPNCK-RWMBFGLXSA-N -1 1 380.416 0.009 20 0 GCADMM Cc1cnn(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826320437 947937209 /nfs/dbraw/zinc/93/72/09/947937209.db2.gz QQWGNTLLJFWWCC-UHFFFAOYSA-N -1 1 386.420 0.078 20 0 GCADMM Cc1cnn(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000826320437 947937217 /nfs/dbraw/zinc/93/72/17/947937217.db2.gz QQWGNTLLJFWWCC-UHFFFAOYSA-N -1 1 386.420 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573391819 947937692 /nfs/dbraw/zinc/93/76/92/947937692.db2.gz LZJBQTRAGOWZBF-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573391819 947937700 /nfs/dbraw/zinc/93/77/00/947937700.db2.gz LZJBQTRAGOWZBF-CYBMUJFWSA-N -1 1 387.448 0.318 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573392059 947939502 /nfs/dbraw/zinc/93/95/02/947939502.db2.gz QHUHEFRPFKCAAQ-QMMMGPOBSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573392482 947948592 /nfs/dbraw/zinc/94/85/92/947948592.db2.gz BIYDLTURPQIUSG-UHFFFAOYSA-N -1 1 387.448 0.236 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573392482 947948598 /nfs/dbraw/zinc/94/85/98/947948598.db2.gz BIYDLTURPQIUSG-UHFFFAOYSA-N -1 1 387.448 0.236 20 0 GCADMM Cc1onc(CC(=O)NCc2c(C)nc3c(c(=O)[nH]n3C)c2C)c1-c1nnn[n-]1 ZINC000826328573 947955932 /nfs/dbraw/zinc/95/59/32/947955932.db2.gz WFLHISMXNQBKQF-UHFFFAOYSA-N -1 1 397.399 0.626 20 0 GCADMM Cc1onc(CC(=O)NCc2c(C)nc3c(c(=O)[nH]n3C)c2C)c1-c1nn[n-]n1 ZINC000826328573 947955938 /nfs/dbraw/zinc/95/59/38/947955938.db2.gz WFLHISMXNQBKQF-UHFFFAOYSA-N -1 1 397.399 0.626 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573393383 947955886 /nfs/dbraw/zinc/95/58/86/947955886.db2.gz LCNJJBKXZYGWMH-KRWDZBQOSA-N -1 1 387.448 0.094 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573393383 947955889 /nfs/dbraw/zinc/95/58/89/947955889.db2.gz LCNJJBKXZYGWMH-KRWDZBQOSA-N -1 1 387.448 0.094 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1ccn(C)n1 ZINC000826328386 947957674 /nfs/dbraw/zinc/95/76/74/947957674.db2.gz PMGVQTIJUXUYRX-UHFFFAOYSA-N -1 1 381.400 0.936 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1ccn(C)n1 ZINC000826328386 947957678 /nfs/dbraw/zinc/95/76/78/947957678.db2.gz PMGVQTIJUXUYRX-UHFFFAOYSA-N -1 1 381.400 0.936 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573393559 947958104 /nfs/dbraw/zinc/95/81/04/947958104.db2.gz NIDPRBWKLFICOV-NSHDSACASA-N -1 1 378.462 0.370 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cnn(C)c1 ZINC001573653424 947958188 /nfs/dbraw/zinc/95/81/88/947958188.db2.gz LPZBYBGETFKRJN-GXFFZTMASA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573653424 947958191 /nfs/dbraw/zinc/95/81/91/947958191.db2.gz LPZBYBGETFKRJN-GXFFZTMASA-N -1 1 382.432 0.501 20 0 GCADMM Cc1ncc(CN2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)s1 ZINC000826329422 947959636 /nfs/dbraw/zinc/95/96/36/947959636.db2.gz CKNDAFMPWAPQNV-UHFFFAOYSA-N -1 1 388.457 0.815 20 0 GCADMM Cc1ncc(CN2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)s1 ZINC000826329422 947959643 /nfs/dbraw/zinc/95/96/43/947959643.db2.gz CKNDAFMPWAPQNV-UHFFFAOYSA-N -1 1 388.457 0.815 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573393722 947960623 /nfs/dbraw/zinc/96/06/23/947960623.db2.gz PJCLCHRPPCURTF-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573393722 947960629 /nfs/dbraw/zinc/96/06/29/947960629.db2.gz PJCLCHRPPCURTF-DGCLKSJQSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573394043 947961978 /nfs/dbraw/zinc/96/19/78/947961978.db2.gz RZUSKBSCXMTLGC-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573394043 947961985 /nfs/dbraw/zinc/96/19/85/947961985.db2.gz RZUSKBSCXMTLGC-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000826333263 947967002 /nfs/dbraw/zinc/96/70/02/947967002.db2.gz ALJCRTFSQLLSFF-UHFFFAOYSA-N -1 1 399.459 0.400 20 0 GCADMM Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000826333263 947967010 /nfs/dbraw/zinc/96/70/10/947967010.db2.gz ALJCRTFSQLLSFF-UHFFFAOYSA-N -1 1 399.459 0.400 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(C)C ZINC001573397553 947972289 /nfs/dbraw/zinc/97/22/89/947972289.db2.gz BWYBKTBEEDBLMD-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(C)C ZINC001573397553 947972294 /nfs/dbraw/zinc/97/22/94/947972294.db2.gz BWYBKTBEEDBLMD-GFCCVEGCSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573397477 947972579 /nfs/dbraw/zinc/97/25/79/947972579.db2.gz AOHBRMUHBGLIIT-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573397477 947972584 /nfs/dbraw/zinc/97/25/84/947972584.db2.gz AOHBRMUHBGLIIT-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573397803 947974836 /nfs/dbraw/zinc/97/48/36/947974836.db2.gz DHYUGUAJHNVRDO-ZJUUUORDSA-N -1 1 375.437 0.139 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573397803 947974842 /nfs/dbraw/zinc/97/48/42/947974842.db2.gz DHYUGUAJHNVRDO-ZJUUUORDSA-N -1 1 375.437 0.139 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573398165 947978423 /nfs/dbraw/zinc/97/84/23/947978423.db2.gz HRXWOHRNLHAOFJ-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573398165 947978430 /nfs/dbraw/zinc/97/84/30/947978430.db2.gz HRXWOHRNLHAOFJ-CYBMUJFWSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573398551 947985001 /nfs/dbraw/zinc/98/50/01/947985001.db2.gz MRMGOQSCYZNGME-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573398551 947985004 /nfs/dbraw/zinc/98/50/04/947985004.db2.gz MRMGOQSCYZNGME-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)CC(C)C ZINC001573398786 947986219 /nfs/dbraw/zinc/98/62/19/947986219.db2.gz PBCUJYARNLYXLD-ZDUSSCGKSA-N -1 1 389.464 0.386 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)CC(C)C ZINC001573398786 947986227 /nfs/dbraw/zinc/98/62/27/947986227.db2.gz PBCUJYARNLYXLD-ZDUSSCGKSA-N -1 1 389.464 0.386 20 0 GCADMM Cc1onc(CC(=O)N(C)Cc2nc(-c3cccnc3)no2)c1-c1nnn[n-]1 ZINC000826343022 947987032 /nfs/dbraw/zinc/98/70/32/947987032.db2.gz JMLFLZOGKAQDFP-UHFFFAOYSA-N -1 1 381.356 0.809 20 0 GCADMM Cc1onc(CC(=O)N(C)Cc2nc(-c3cccnc3)no2)c1-c1nn[n-]n1 ZINC000826343022 947987037 /nfs/dbraw/zinc/98/70/37/947987037.db2.gz JMLFLZOGKAQDFP-UHFFFAOYSA-N -1 1 381.356 0.809 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573656344 947987441 /nfs/dbraw/zinc/98/74/41/947987441.db2.gz DWAOBJJWGAEIDH-DIFFPNOSSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573656344 947987444 /nfs/dbraw/zinc/98/74/44/947987444.db2.gz DWAOBJJWGAEIDH-DIFFPNOSSA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573399273 947990274 /nfs/dbraw/zinc/99/02/74/947990274.db2.gz URDKPTMILZGTMJ-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573399201 947990372 /nfs/dbraw/zinc/99/03/72/947990372.db2.gz SVHYIVUYJCIPSB-OAHLLOKOSA-N -1 1 378.462 0.195 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573656473 947991062 /nfs/dbraw/zinc/99/10/62/947991062.db2.gz GRJJZTAUAPPCGA-PIGZYNQJSA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573399523 947992894 /nfs/dbraw/zinc/99/28/94/947992894.db2.gz WAFIFJDGBNAYDI-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573399523 947992899 /nfs/dbraw/zinc/99/28/99/947992899.db2.gz WAFIFJDGBNAYDI-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573656585 947993206 /nfs/dbraw/zinc/99/32/06/947993206.db2.gz HTSSOMDFGQOPJB-KZULUSFZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573656585 947993212 /nfs/dbraw/zinc/99/32/12/947993212.db2.gz HTSSOMDFGQOPJB-KZULUSFZSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573656808 947993378 /nfs/dbraw/zinc/99/33/78/947993378.db2.gz IJBKMQTYDAFJEW-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343884 947997786 /nfs/dbraw/zinc/99/77/86/947997786.db2.gz PXLGGDLSGZQWBP-UHFFFAOYSA-N -1 1 395.423 0.751 20 0 GCADMM Cc1onc(CC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343884 947997792 /nfs/dbraw/zinc/99/77/92/947997792.db2.gz PXLGGDLSGZQWBP-UHFFFAOYSA-N -1 1 395.423 0.751 20 0 GCADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cncn1 ZINC001573657302 947999057 /nfs/dbraw/zinc/99/90/57/947999057.db2.gz LJNOCGBXZFGAAZ-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cncn1 ZINC001573657302 947999065 /nfs/dbraw/zinc/99/90/65/947999065.db2.gz LJNOCGBXZFGAAZ-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573401913 948000542 /nfs/dbraw/zinc/00/05/42/948000542.db2.gz FIGHFGIKXXKQPE-STQMWFEESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573401913 948000551 /nfs/dbraw/zinc/00/05/51/948000551.db2.gz FIGHFGIKXXKQPE-STQMWFEESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573402374 948001561 /nfs/dbraw/zinc/00/15/61/948001561.db2.gz GDRNUSQJGGNSPH-SKDRFNHKSA-N -1 1 392.489 0.583 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826344294 948004079 /nfs/dbraw/zinc/00/40/79/948004079.db2.gz CTEPQOXRCKUJFO-UHFFFAOYSA-N -1 1 375.433 0.813 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC000826344294 948004086 /nfs/dbraw/zinc/00/40/86/948004086.db2.gz CTEPQOXRCKUJFO-UHFFFAOYSA-N -1 1 375.433 0.813 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1-c1nnn[n-]1 ZINC000826344219 948004858 /nfs/dbraw/zinc/00/48/58/948004858.db2.gz AQGRQNZXZAMEKF-UHFFFAOYSA-N -1 1 397.395 0.396 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1-c1nn[n-]n1 ZINC000826344219 948004870 /nfs/dbraw/zinc/00/48/70/948004870.db2.gz AQGRQNZXZAMEKF-UHFFFAOYSA-N -1 1 397.395 0.396 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccn1 ZINC001573657913 948005936 /nfs/dbraw/zinc/00/59/36/948005936.db2.gz PVQQOWDYMHHHCK-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccn1 ZINC001573657913 948005941 /nfs/dbraw/zinc/00/59/41/948005941.db2.gz PVQQOWDYMHHHCK-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cccc1 ZINC001573658291 948009130 /nfs/dbraw/zinc/00/91/30/948009130.db2.gz RUCIBAVNUFTSIW-ZDUSSCGKSA-N -1 1 381.444 0.982 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573658638 948009173 /nfs/dbraw/zinc/00/91/73/948009173.db2.gz SPIKWNWABKIQMD-APPDUMDISA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573658638 948009180 /nfs/dbraw/zinc/00/91/80/948009180.db2.gz SPIKWNWABKIQMD-APPDUMDISA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826344710 948010890 /nfs/dbraw/zinc/01/08/90/948010890.db2.gz QAZPWPUBCCRUML-UHFFFAOYSA-N -1 1 381.396 0.690 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826344710 948010898 /nfs/dbraw/zinc/01/08/98/948010898.db2.gz QAZPWPUBCCRUML-UHFFFAOYSA-N -1 1 381.396 0.690 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cccn1 ZINC001573658918 948011545 /nfs/dbraw/zinc/01/15/45/948011545.db2.gz UEZGSHQJNLHCFQ-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cccn1 ZINC001573658918 948011555 /nfs/dbraw/zinc/01/15/55/948011555.db2.gz UEZGSHQJNLHCFQ-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573403730 948012867 /nfs/dbraw/zinc/01/28/67/948012867.db2.gz NZXCLPYTYZMFAM-JOYOIKCWSA-N -1 1 392.489 0.583 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c1-c1nnn[n-]1 ZINC000826344783 948013626 /nfs/dbraw/zinc/01/36/26/948013626.db2.gz ROQUGAYCNVZNMO-SECBINFHSA-N -1 1 376.446 0.341 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c1-c1nn[n-]n1 ZINC000826344783 948013635 /nfs/dbraw/zinc/01/36/35/948013635.db2.gz ROQUGAYCNVZNMO-SECBINFHSA-N -1 1 376.446 0.341 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573404135 948015683 /nfs/dbraw/zinc/01/56/83/948015683.db2.gz QCXTYMAFQXNAOP-STQMWFEESA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573404135 948015691 /nfs/dbraw/zinc/01/56/91/948015691.db2.gz QCXTYMAFQXNAOP-STQMWFEESA-N -1 1 387.448 0.140 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826345225 948021287 /nfs/dbraw/zinc/02/12/87/948021287.db2.gz GTEJZPJCWUOXGU-NWDGAFQWSA-N -1 1 380.430 0.274 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826345225 948021297 /nfs/dbraw/zinc/02/12/97/948021297.db2.gz GTEJZPJCWUOXGU-NWDGAFQWSA-N -1 1 380.430 0.274 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573404353 948022255 /nfs/dbraw/zinc/02/22/55/948022255.db2.gz SIOLFWZRKPKXOG-PWSUYJOCSA-N -1 1 392.489 0.583 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826345227 948022342 /nfs/dbraw/zinc/02/23/42/948022342.db2.gz GTEJZPJCWUOXGU-VXGBXAGGSA-N -1 1 380.430 0.274 20 0 GCADMM Cc1onc(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826345227 948022355 /nfs/dbraw/zinc/02/23/55/948022355.db2.gz GTEJZPJCWUOXGU-VXGBXAGGSA-N -1 1 380.430 0.274 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573404352 948022477 /nfs/dbraw/zinc/02/24/77/948022477.db2.gz SIOLFWZRKPKXOG-JQWIXIFHSA-N -1 1 392.489 0.583 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404410 948023773 /nfs/dbraw/zinc/02/37/73/948023773.db2.gz DAEKUUMMMXYGHC-GFCCVEGCSA-N -1 1 392.489 0.443 20 0 GCADMM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404447 948024414 /nfs/dbraw/zinc/02/44/14/948024414.db2.gz FHYNNMVFCFYNOJ-LBPRGKRZSA-N -1 1 392.489 0.443 20 0 GCADMM C[C@H](C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573663066 948033347 /nfs/dbraw/zinc/03/33/47/948033347.db2.gz IQNLQUIMSUXOKX-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573663066 948033357 /nfs/dbraw/zinc/03/33/57/948033357.db2.gz IQNLQUIMSUXOKX-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)c1-c1nnn[n-]1 ZINC000826345978 948034187 /nfs/dbraw/zinc/03/41/87/948034187.db2.gz ZNZQFTCDWGPWDV-LLVKDONJSA-N -1 1 379.446 0.474 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)c1-c1nn[n-]n1 ZINC000826345978 948034192 /nfs/dbraw/zinc/03/41/92/948034192.db2.gz ZNZQFTCDWGPWDV-LLVKDONJSA-N -1 1 379.446 0.474 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573404933 948035623 /nfs/dbraw/zinc/03/56/23/948035623.db2.gz KWBSOZLSWOMVOK-UHFFFAOYSA-N -1 1 378.462 0.417 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573405101 948037149 /nfs/dbraw/zinc/03/71/49/948037149.db2.gz XWQMOAYVZFFBMA-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573405101 948037158 /nfs/dbraw/zinc/03/71/58/948037158.db2.gz XWQMOAYVZFFBMA-ZETCQYMHSA-N -1 1 386.869 0.396 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1-c1nnn[n-]1 ZINC000826346250 948038996 /nfs/dbraw/zinc/03/89/96/948038996.db2.gz HOFJYJKZZNCAHV-MRVPVSSYSA-N -1 1 387.322 0.375 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1-c1nn[n-]n1 ZINC000826346250 948039002 /nfs/dbraw/zinc/03/90/02/948039002.db2.gz HOFJYJKZZNCAHV-MRVPVSSYSA-N -1 1 387.322 0.375 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1-c1nnn[n-]1 ZINC000826346388 948039581 /nfs/dbraw/zinc/03/95/81/948039581.db2.gz LFFCUYNSOCDWFA-NSHDSACASA-N -1 1 387.375 0.305 20 0 GCADMM Cc1onc(CC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1-c1nn[n-]n1 ZINC000826346388 948039588 /nfs/dbraw/zinc/03/95/88/948039588.db2.gz LFFCUYNSOCDWFA-NSHDSACASA-N -1 1 387.375 0.305 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573405507 948044519 /nfs/dbraw/zinc/04/45/19/948044519.db2.gz SFKTZHFFPKMORP-ZDUSSCGKSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573405507 948044528 /nfs/dbraw/zinc/04/45/28/948044528.db2.gz SFKTZHFFPKMORP-ZDUSSCGKSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573405880 948049161 /nfs/dbraw/zinc/04/91/61/948049161.db2.gz XWDAQZDLSRHNBT-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573405880 948049168 /nfs/dbraw/zinc/04/91/68/948049168.db2.gz XWDAQZDLSRHNBT-UHFFFAOYSA-N -1 1 387.448 0.366 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573406357 948051253 /nfs/dbraw/zinc/05/12/53/948051253.db2.gz BHUGZCPJMDLOAI-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573406357 948051260 /nfs/dbraw/zinc/05/12/60/948051260.db2.gz BHUGZCPJMDLOAI-MRVPVSSYSA-N -1 1 384.853 0.150 20 0 GCADMM C[C@H](C(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573664385 948053334 /nfs/dbraw/zinc/05/33/34/948053334.db2.gz UYTAMHJGKIBRKJ-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573664385 948053346 /nfs/dbraw/zinc/05/33/46/948053346.db2.gz UYTAMHJGKIBRKJ-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573664725 948060142 /nfs/dbraw/zinc/06/01/42/948060142.db2.gz XVQLLXOBUHSGMF-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573664725 948060151 /nfs/dbraw/zinc/06/01/51/948060151.db2.gz XVQLLXOBUHSGMF-XIKOKIGWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)N[C@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573664974 948064179 /nfs/dbraw/zinc/06/41/79/948064179.db2.gz ZGCQJMDDEJBWBI-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573664974 948064187 /nfs/dbraw/zinc/06/41/87/948064187.db2.gz ZGCQJMDDEJBWBI-KPZWWZAWSA-N -1 1 386.460 0.540 20 0 GCADMM CC(=O)N(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001573408477 948065605 /nfs/dbraw/zinc/06/56/05/948065605.db2.gz HBVHTDPZJMPZTE-UHFFFAOYSA-N -1 1 376.398 0.921 20 0 GCADMM CC(=O)N1CC(C(=O)N2CCC[C@H]2CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573413349 948079082 /nfs/dbraw/zinc/07/90/82/948079082.db2.gz CCCZEUILZBEWIT-LBPRGKRZSA-N -1 1 390.473 0.513 20 0 GCADMM Cc1onc(CC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1-c1nnn[n-]1 ZINC000826348904 948083315 /nfs/dbraw/zinc/08/33/15/948083315.db2.gz LDHIXLGAKWONOD-UHFFFAOYSA-N -1 1 399.415 0.600 20 0 GCADMM Cc1onc(CC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1-c1nn[n-]n1 ZINC000826348904 948083324 /nfs/dbraw/zinc/08/33/24/948083324.db2.gz LDHIXLGAKWONOD-UHFFFAOYSA-N -1 1 399.415 0.600 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)[C@H](C)CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573413648 948084829 /nfs/dbraw/zinc/08/48/29/948084829.db2.gz COVBCRUXMPGSTC-MRVPVSSYSA-N -1 1 378.462 0.369 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573666479 948087541 /nfs/dbraw/zinc/08/75/41/948087541.db2.gz TYUWXORATLBPPF-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573666854 948092846 /nfs/dbraw/zinc/09/28/46/948092846.db2.gz WVBJROBKHGVROV-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573666854 948092857 /nfs/dbraw/zinc/09/28/57/948092857.db2.gz WVBJROBKHGVROV-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573667138 948095373 /nfs/dbraw/zinc/09/53/73/948095373.db2.gz YEJVVBDPYDSLGB-OCCSQVGLSA-N -1 1 379.428 0.940 20 0 GCADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001573415124 948102191 /nfs/dbraw/zinc/10/21/91/948102191.db2.gz SXNNHBIXMPLGMO-LLVKDONJSA-N -1 1 376.446 0.123 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccnc1 ZINC001573670668 948103697 /nfs/dbraw/zinc/10/36/97/948103697.db2.gz CUJVZQADVBHTKI-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC001573670668 948103704 /nfs/dbraw/zinc/10/37/04/948103704.db2.gz CUJVZQADVBHTKI-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](Oc3cccc(F)c3)C2)n(C)c1=O ZINC000826355622 948108474 /nfs/dbraw/zinc/10/84/74/948108474.db2.gz HPXMJSNUDRJCRS-LBPRGKRZSA-N -1 1 387.375 0.061 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573417803 948114409 /nfs/dbraw/zinc/11/44/09/948114409.db2.gz BWJGLFICHVGTNS-NXEZZACHSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573417803 948114415 /nfs/dbraw/zinc/11/44/15/948114415.db2.gz BWJGLFICHVGTNS-NXEZZACHSA-N -1 1 387.448 0.139 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001573673987 948117071 /nfs/dbraw/zinc/11/70/71/948117071.db2.gz MSQFMFILLSRFSQ-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001573673987 948117073 /nfs/dbraw/zinc/11/70/73/948117073.db2.gz MSQFMFILLSRFSQ-NSHDSACASA-N -1 1 382.432 0.279 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)CC(C)C)C1 ZINC001573419160 948121148 /nfs/dbraw/zinc/12/11/48/948121148.db2.gz KKIJAKGWCVYCBQ-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)CC(C)C)C1 ZINC001573419160 948121155 /nfs/dbraw/zinc/12/11/55/948121155.db2.gz KKIJAKGWCVYCBQ-ZDUSSCGKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573419644 948124482 /nfs/dbraw/zinc/12/44/82/948124482.db2.gz OEGZRIUUAGJQFV-ZCFIWIBFSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573419644 948124489 /nfs/dbraw/zinc/12/44/89/948124489.db2.gz OEGZRIUUAGJQFV-ZCFIWIBFSA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C)C1 ZINC001573419686 948127711 /nfs/dbraw/zinc/12/77/11/948127711.db2.gz PJDWOCRATRSTMM-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C)C1 ZINC001573419686 948127716 /nfs/dbraw/zinc/12/77/16/948127716.db2.gz PJDWOCRATRSTMM-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@H](C(=O)NCC(=O)c1cc2c(s1)CCCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573677366 948136510 /nfs/dbraw/zinc/13/65/10/948136510.db2.gz CYGLFMCMUZORFL-SECBINFHSA-N -1 1 386.441 0.959 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)C)C1 ZINC001573422376 948142589 /nfs/dbraw/zinc/14/25/89/948142589.db2.gz KQJCSAXRORAHSL-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)C)C1 ZINC001573422376 948142593 /nfs/dbraw/zinc/14/25/93/948142593.db2.gz KQJCSAXRORAHSL-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)NCCCNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573423911 948145586 /nfs/dbraw/zinc/14/55/86/948145586.db2.gz RDJKZZKJQKFMDU-UHFFFAOYSA-N -1 1 384.853 0.373 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cccn1 ZINC001573678398 948150711 /nfs/dbraw/zinc/15/07/11/948150711.db2.gz HLLZAGHQRLCEFO-RYUDHWBXSA-N -1 1 382.432 0.445 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573428778 948167201 /nfs/dbraw/zinc/16/72/01/948167201.db2.gz BKSUWMRIRZRXTF-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573428778 948167206 /nfs/dbraw/zinc/16/72/06/948167206.db2.gz BKSUWMRIRZRXTF-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573429349 948170197 /nfs/dbraw/zinc/17/01/97/948170197.db2.gz HGZPEAIIIONNPN-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573429349 948170203 /nfs/dbraw/zinc/17/02/03/948170203.db2.gz HGZPEAIIIONNPN-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573429727 948172631 /nfs/dbraw/zinc/17/26/31/948172631.db2.gz LNPHCEPHWNSNKW-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573429727 948172635 /nfs/dbraw/zinc/17/26/35/948172635.db2.gz LNPHCEPHWNSNKW-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573429650 948172951 /nfs/dbraw/zinc/17/29/51/948172951.db2.gz JQFQMXBVCCCIFD-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573429650 948172957 /nfs/dbraw/zinc/17/29/57/948172957.db2.gz JQFQMXBVCCCIFD-LLVKDONJSA-N -1 1 387.448 0.079 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573680317 948176585 /nfs/dbraw/zinc/17/65/85/948176585.db2.gz MYJUSGMGUGVBCI-FZMZJTMJSA-N -1 1 384.448 0.747 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573680317 948176587 /nfs/dbraw/zinc/17/65/87/948176587.db2.gz MYJUSGMGUGVBCI-FZMZJTMJSA-N -1 1 384.448 0.747 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573431018 948178807 /nfs/dbraw/zinc/17/88/07/948178807.db2.gz UICKUEYKNKWPBJ-LLVKDONJSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573431018 948178810 /nfs/dbraw/zinc/17/88/10/948178810.db2.gz UICKUEYKNKWPBJ-LLVKDONJSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573431094 948179549 /nfs/dbraw/zinc/17/95/49/948179549.db2.gz VGSOUDWIIVEJJA-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573431094 948179550 /nfs/dbraw/zinc/17/95/50/948179550.db2.gz VGSOUDWIIVEJJA-NSHDSACASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573432865 948193413 /nfs/dbraw/zinc/19/34/13/948193413.db2.gz HTRAESWEGNDEGQ-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573432865 948193419 /nfs/dbraw/zinc/19/34/19/948193419.db2.gz HTRAESWEGNDEGQ-APPDUMDISA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573681287 948198765 /nfs/dbraw/zinc/19/87/65/948198765.db2.gz UMDMIRBSKMTCRQ-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM C[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573681287 948198772 /nfs/dbraw/zinc/19/87/72/948198772.db2.gz UMDMIRBSKMTCRQ-GXFFZTMASA-N -1 1 386.391 0.489 20 0 GCADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573681378 948201741 /nfs/dbraw/zinc/20/17/41/948201741.db2.gz VESUNGVANIPMLD-AAEUAGOBSA-N -1 1 384.448 0.169 20 0 GCADMM C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573681865 948215243 /nfs/dbraw/zinc/21/52/43/948215243.db2.gz 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CC(=O)N1CC[C@](C)(C(=O)NCC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434954 948222553 /nfs/dbraw/zinc/22/25/53/948222553.db2.gz TZPMIJPECQPMMA-DIFFPNOSSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573690305 948225270 /nfs/dbraw/zinc/22/52/70/948225270.db2.gz CVCLXIZXWHMXTQ-VIFPVBQESA-N -1 1 377.409 0.193 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573435229 948225667 /nfs/dbraw/zinc/22/56/67/948225667.db2.gz UXPYXKXVOQSEIJ-FVMDXXJSSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573435234 948225765 /nfs/dbraw/zinc/22/57/65/948225765.db2.gz UXPYXKXVOQSEIJ-XXFAHNHDSA-N -1 1 392.489 0.807 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573435403 948228585 /nfs/dbraw/zinc/22/85/85/948228585.db2.gz WQJVPIOZXCJTBK-GTNSWQLSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573435403 948228599 /nfs/dbraw/zinc/22/85/99/948228599.db2.gz WQJVPIOZXCJTBK-GTNSWQLSSA-N -1 1 387.448 0.079 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573435496 948229775 /nfs/dbraw/zinc/22/97/75/948229775.db2.gz XPVBGMYISSXIKD-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573435496 948229784 /nfs/dbraw/zinc/22/97/84/948229784.db2.gz XPVBGMYISSXIKD-PIGZYNQJSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cccn1 ZINC001573690786 948229930 /nfs/dbraw/zinc/22/99/30/948229930.db2.gz BHTGDIOYAMVYGL-GFCCVEGCSA-N -1 1 382.432 0.377 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439743 948251127 /nfs/dbraw/zinc/25/11/27/948251127.db2.gz QTDSENUHNFJQMR-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439743 948251136 /nfs/dbraw/zinc/25/11/36/948251136.db2.gz QTDSENUHNFJQMR-YPMHNXCESA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)CCCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573439768 948251389 /nfs/dbraw/zinc/25/13/89/948251389.db2.gz RPZUMDFNBRBLIM-CYBMUJFWSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N(C)CCCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573439768 948251398 /nfs/dbraw/zinc/25/13/98/948251398.db2.gz RPZUMDFNBRBLIM-CYBMUJFWSA-N -1 1 387.448 0.176 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573439794 948252217 /nfs/dbraw/zinc/25/22/17/948252217.db2.gz SIQMCGZCSHCIBD-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573439794 948252226 /nfs/dbraw/zinc/25/22/26/948252226.db2.gz SIQMCGZCSHCIBD-AAEUAGOBSA-N -1 1 387.448 0.174 20 0 GCADMM O=C(COC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[N-]C(=O)c1ccccc1 ZINC000826414801 948254754 /nfs/dbraw/zinc/25/47/54/948254754.db2.gz ILWQPKMJGYFBID-OAHLLOKOSA-N -1 1 381.348 0.400 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1cnn(C)c1 ZINC001573692446 948265569 /nfs/dbraw/zinc/26/55/69/948265569.db2.gz PSZXESGZJCZMLC-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1cnn(C)c1 ZINC001573692446 948265577 /nfs/dbraw/zinc/26/55/77/948265577.db2.gz PSZXESGZJCZMLC-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573441641 948271449 /nfs/dbraw/zinc/27/14/49/948271449.db2.gz LHOKWSRZPUOBEW-SMDDNHRTSA-N -1 1 387.448 0.235 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573441641 948271458 /nfs/dbraw/zinc/27/14/58/948271458.db2.gz LHOKWSRZPUOBEW-SMDDNHRTSA-N -1 1 387.448 0.235 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826425202 948274412 /nfs/dbraw/zinc/27/44/12/948274412.db2.gz UBXVVZCTZRZZBO-JOYOIKCWSA-N -1 1 376.327 0.071 20 0 GCADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)n1cccc1 ZINC001573693303 948280747 /nfs/dbraw/zinc/28/07/47/948280747.db2.gz WFQRYWXBKZLHTO-ZDUSSCGKSA-N -1 1 381.444 0.982 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573693273 948281034 /nfs/dbraw/zinc/28/10/34/948281034.db2.gz SCZYEYJMEOEIOE-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM C[C@@H](C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573693273 948281041 /nfs/dbraw/zinc/28/10/41/948281041.db2.gz SCZYEYJMEOEIOE-ZWNOBZJWSA-N -1 1 386.391 0.489 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573442019 948284668 /nfs/dbraw/zinc/28/46/68/948284668.db2.gz QGKPLGRQTWZJIY-JOYOIKCWSA-N -1 1 392.489 0.901 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(F)(F)F ZINC001573693644 948285361 /nfs/dbraw/zinc/28/53/61/948285361.db2.gz AMDYCSARYUKBRR-AATLWQCWSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(F)(F)F ZINC001573693644 948285370 /nfs/dbraw/zinc/28/53/70/948285370.db2.gz AMDYCSARYUKBRR-AATLWQCWSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccc1 ZINC001573693710 948285870 /nfs/dbraw/zinc/28/58/70/948285870.db2.gz AVQVZUHRMHRXMH-XDQVBPFNSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccc1 ZINC001573693710 948285875 /nfs/dbraw/zinc/28/58/75/948285875.db2.gz AVQVZUHRMHRXMH-XDQVBPFNSA-N -1 1 379.428 0.518 20 0 GCADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001573694268 948291089 /nfs/dbraw/zinc/29/10/89/948291089.db2.gz CAFNIIWMTNFHEV-DGCLKSJQSA-N -1 1 392.485 0.406 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573695145 948299747 /nfs/dbraw/zinc/29/97/47/948299747.db2.gz FFJXMAVBLLXBAA-DIFFPNOSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573695145 948299757 /nfs/dbraw/zinc/29/97/57/948299757.db2.gz FFJXMAVBLLXBAA-DIFFPNOSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573695290 948302226 /nfs/dbraw/zinc/30/22/26/948302226.db2.gz GBKROWUNQLGAHT-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573695290 948302235 /nfs/dbraw/zinc/30/22/35/948302235.db2.gz GBKROWUNQLGAHT-KZULUSFZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CCC1 ZINC001573695610 948306800 /nfs/dbraw/zinc/30/68/00/948306800.db2.gz XXWLDFNNWSPHQG-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CCC1 ZINC001573695610 948306809 /nfs/dbraw/zinc/30/68/09/948306809.db2.gz XXWLDFNNWSPHQG-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573443811 948307065 /nfs/dbraw/zinc/30/70/65/948307065.db2.gz PROVWDZBBXPFKF-JOYOIKCWSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)n1cncn1 ZINC001573695656 948309290 /nfs/dbraw/zinc/30/92/90/948309290.db2.gz HWRRBAKIFPJONC-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)n1cncn1 ZINC001573695656 948309295 /nfs/dbraw/zinc/30/92/95/948309295.db2.gz HWRRBAKIFPJONC-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C(F)(F)F ZINC001573695872 948311155 /nfs/dbraw/zinc/31/11/55/948311155.db2.gz JFHYNOMSCTYIGF-AATLWQCWSA-N -1 1 382.350 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C(F)(F)F ZINC001573695872 948311168 /nfs/dbraw/zinc/31/11/68/948311168.db2.gz JFHYNOMSCTYIGF-AATLWQCWSA-N -1 1 382.350 0.654 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573444785 948317321 /nfs/dbraw/zinc/31/73/21/948317321.db2.gz VVTZXUPCHMIEQC-YPMHNXCESA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573444785 948317328 /nfs/dbraw/zinc/31/73/28/948317328.db2.gz VVTZXUPCHMIEQC-YPMHNXCESA-N -1 1 387.448 0.140 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cccnc1 ZINC001573696185 948318299 /nfs/dbraw/zinc/31/82/99/948318299.db2.gz LVFUVFKLOBUVKG-CYUUQNCZSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573696209 948320203 /nfs/dbraw/zinc/32/02/03/948320203.db2.gz MCCMTTRXJLWPNU-DIFFPNOSSA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C(C)(F)F ZINC001573696296 948322200 /nfs/dbraw/zinc/32/22/00/948322200.db2.gz NNQSCTVFPQCZDC-DBIOUOCHSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(F)F ZINC001573696296 948322211 /nfs/dbraw/zinc/32/22/11/948322211.db2.gz NNQSCTVFPQCZDC-DBIOUOCHSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573696353 948323853 /nfs/dbraw/zinc/32/38/53/948323853.db2.gz OLWGYSFXHVRUGF-PSLIRLAXSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@H](C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573696353 948323867 /nfs/dbraw/zinc/32/38/67/948323867.db2.gz OLWGYSFXHVRUGF-PSLIRLAXSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573696507 948326530 /nfs/dbraw/zinc/32/65/30/948326530.db2.gz RQBYRTIUVACRAZ-LBPRGKRZSA-N -1 1 387.469 0.654 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573446489 948331255 /nfs/dbraw/zinc/33/12/55/948331255.db2.gz IAQRPNNBFFCGBI-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573446489 948331262 /nfs/dbraw/zinc/33/12/62/948331262.db2.gz IAQRPNNBFFCGBI-GXTWGEPZSA-N -1 1 385.432 0.071 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573696744 948332972 /nfs/dbraw/zinc/33/29/72/948332972.db2.gz WRZHCLCCVODJEZ-APPDUMDISA-N -1 1 384.400 0.111 20 0 GCADMM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573696744 948332983 /nfs/dbraw/zinc/33/29/83/948332983.db2.gz WRZHCLCCVODJEZ-APPDUMDISA-N -1 1 384.400 0.111 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573696736 948333158 /nfs/dbraw/zinc/33/31/58/948333158.db2.gz WPIWXUYVAALCFN-BJOHPYRUSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573696736 948333168 /nfs/dbraw/zinc/33/31/68/948333168.db2.gz WPIWXUYVAALCFN-BJOHPYRUSA-N -1 1 382.375 0.005 20 0 GCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573446614 948333594 /nfs/dbraw/zinc/33/35/94/948333594.db2.gz KMSCRRDJMVARHR-NWDGAFQWSA-N -1 1 390.473 0.655 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(C)(F)F ZINC001573696892 948335682 /nfs/dbraw/zinc/33/56/82/948335682.db2.gz ZGALQPYABRLVSA-DBIOUOCHSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(C)(F)F ZINC001573696892 948335690 /nfs/dbraw/zinc/33/56/90/948335690.db2.gz ZGALQPYABRLVSA-DBIOUOCHSA-N -1 1 378.387 0.746 20 0 GCADMM C[C@H](C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573701582 948340413 /nfs/dbraw/zinc/34/04/13/948340413.db2.gz BDTMQXTTZWTQBA-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573701582 948340423 /nfs/dbraw/zinc/34/04/23/948340423.db2.gz BDTMQXTTZWTQBA-ZBOXLXRLSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573702320 948344550 /nfs/dbraw/zinc/34/45/50/948344550.db2.gz DTCJAZABVDVGHA-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573702320 948344560 /nfs/dbraw/zinc/34/45/60/948344560.db2.gz DTCJAZABVDVGHA-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573702544 948346221 /nfs/dbraw/zinc/34/62/21/948346221.db2.gz FCTDKXJMVZEZSO-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573702544 948346232 /nfs/dbraw/zinc/34/62/32/948346232.db2.gz FCTDKXJMVZEZSO-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573702591 948347547 /nfs/dbraw/zinc/34/75/47/948347547.db2.gz FSJJOAUHMGMWLJ-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573702591 948347556 /nfs/dbraw/zinc/34/75/56/948347556.db2.gz FSJJOAUHMGMWLJ-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573703678 948357745 /nfs/dbraw/zinc/35/77/45/948357745.db2.gz LYGFJADSFOBVQW-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573703678 948357752 /nfs/dbraw/zinc/35/77/52/948357752.db2.gz LYGFJADSFOBVQW-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573704025 948363058 /nfs/dbraw/zinc/36/30/58/948363058.db2.gz OBTJUKZRDBZXTL-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573704025 948363065 /nfs/dbraw/zinc/36/30/65/948363065.db2.gz OBTJUKZRDBZXTL-YPMHNXCESA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573704061 948364495 /nfs/dbraw/zinc/36/44/95/948364495.db2.gz ONESJNCLOAXXAL-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573704061 948364504 /nfs/dbraw/zinc/36/45/04/948364504.db2.gz ONESJNCLOAXXAL-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573704157 948366808 /nfs/dbraw/zinc/36/68/08/948366808.db2.gz PSWQVTLYFKRLHQ-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573704157 948366813 /nfs/dbraw/zinc/36/68/13/948366813.db2.gz PSWQVTLYFKRLHQ-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573704499 948373515 /nfs/dbraw/zinc/37/35/15/948373515.db2.gz BHQJQBVFPULXDY-NXEZZACHSA-N -1 1 384.487 0.052 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573704754 948382450 /nfs/dbraw/zinc/38/24/50/948382450.db2.gz DLJGRFFBAWLBRM-QWHCGFSZSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573704754 948382456 /nfs/dbraw/zinc/38/24/56/948382456.db2.gz DLJGRFFBAWLBRM-QWHCGFSZSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573704974 948386366 /nfs/dbraw/zinc/38/63/66/948386366.db2.gz FMJYWLOFOKMPEY-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573705018 948388898 /nfs/dbraw/zinc/38/88/98/948388898.db2.gz VEFFPATZVABKDY-GXTWGEPZSA-N -1 1 379.428 0.940 20 0 GCADMM O=S(=O)(NCCn1ccnn1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491522 948404305 /nfs/dbraw/zinc/40/43/05/948404305.db2.gz NCMPWWJLRQQSTE-UHFFFAOYSA-N -1 1 388.335 0.456 20 0 GCADMM O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490663 948404667 /nfs/dbraw/zinc/40/46/67/948404667.db2.gz CMHHXDCXGKVOPW-LLVKDONJSA-N -1 1 380.430 0.616 20 0 GCADMM O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490663 948404673 /nfs/dbraw/zinc/40/46/73/948404673.db2.gz CMHHXDCXGKVOPW-LLVKDONJSA-N -1 1 380.430 0.616 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(F)(F)F ZINC001573705630 948405486 /nfs/dbraw/zinc/40/54/86/948405486.db2.gz GPCWEEPOTWAQLA-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(F)(F)F ZINC001573705630 948405488 /nfs/dbraw/zinc/40/54/88/948405488.db2.gz GPCWEEPOTWAQLA-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573705901 948409363 /nfs/dbraw/zinc/40/93/63/948409363.db2.gz HDSZVIGGUQKIDN-NSHDSACASA-N -1 1 383.420 0.208 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573705901 948409370 /nfs/dbraw/zinc/40/93/70/948409370.db2.gz HDSZVIGGUQKIDN-NSHDSACASA-N -1 1 383.420 0.208 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)n1cccc1 ZINC001573705950 948410016 /nfs/dbraw/zinc/41/00/16/948410016.db2.gz HSHNBVLHGCFIRC-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)n1cccc1 ZINC001573705950 948410020 /nfs/dbraw/zinc/41/00/20/948410020.db2.gz HSHNBVLHGCFIRC-STQMWFEESA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573706098 948411080 /nfs/dbraw/zinc/41/10/80/948411080.db2.gz JQTOYPCBBWJCTK-NWDGAFQWSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573706098 948411085 /nfs/dbraw/zinc/41/10/85/948411085.db2.gz JQTOYPCBBWJCTK-NWDGAFQWSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573706307 948416819 /nfs/dbraw/zinc/41/68/19/948416819.db2.gz IEZOCGSADVXVJV-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573706307 948416824 /nfs/dbraw/zinc/41/68/24/948416824.db2.gz IEZOCGSADVXVJV-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573706617 948421023 /nfs/dbraw/zinc/42/10/23/948421023.db2.gz JQRVUVCTASLWMB-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573706617 948421027 /nfs/dbraw/zinc/42/10/27/948421027.db2.gz JQRVUVCTASLWMB-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(C)(F)F ZINC001573706660 948423219 /nfs/dbraw/zinc/42/32/19/948423219.db2.gz KJWKALYNYDLJFN-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(C)(F)F ZINC001573706660 948423223 /nfs/dbraw/zinc/42/32/23/948423223.db2.gz KJWKALYNYDLJFN-NXEZZACHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(F)(F)F ZINC001573706621 948423358 /nfs/dbraw/zinc/42/33/58/948423358.db2.gz JRURCFVQZMYZQO-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(F)(F)F ZINC001573706621 948423364 /nfs/dbraw/zinc/42/33/64/948423364.db2.gz JRURCFVQZMYZQO-DTWKUNHWSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573706933 948426503 /nfs/dbraw/zinc/42/65/03/948426503.db2.gz MOPJASSMLLRVOB-LBPRGKRZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573706866 948427182 /nfs/dbraw/zinc/42/71/82/948427182.db2.gz LKVQYJJIMOATPM-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573706866 948427184 /nfs/dbraw/zinc/42/71/84/948427184.db2.gz LKVQYJJIMOATPM-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573707114 948427803 /nfs/dbraw/zinc/42/78/03/948427803.db2.gz MNPPEUTXIXXGCZ-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573707114 948427809 /nfs/dbraw/zinc/42/78/09/948427809.db2.gz MNPPEUTXIXXGCZ-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)C(C)(F)F ZINC001573707091 948428149 /nfs/dbraw/zinc/42/81/49/948428149.db2.gz MICSFAXQLUTUHP-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)C(C)(F)F ZINC001573707091 948428153 /nfs/dbraw/zinc/42/81/53/948428153.db2.gz MICSFAXQLUTUHP-UWVGGRQHSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(F)(F)F ZINC001573707458 948433891 /nfs/dbraw/zinc/43/38/91/948433891.db2.gz NUUYMQVRUVVGRO-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(F)(F)F ZINC001573707458 948433895 /nfs/dbraw/zinc/43/38/95/948433895.db2.gz NUUYMQVRUVVGRO-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573707486 948433906 /nfs/dbraw/zinc/43/39/06/948433906.db2.gz PJKIUYGYOWZDQU-VXGBXAGGSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573707486 948433908 /nfs/dbraw/zinc/43/39/08/948433908.db2.gz PJKIUYGYOWZDQU-VXGBXAGGSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573707593 948437913 /nfs/dbraw/zinc/43/79/13/948437913.db2.gz OULJBSPSFARIEC-VHSXEESVSA-N -1 1 382.375 0.269 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C1CCC1 ZINC001573707870 948439424 /nfs/dbraw/zinc/43/94/24/948439424.db2.gz QGJWKKGHHLMMFL-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C1CCC1 ZINC001573707870 948439435 /nfs/dbraw/zinc/43/94/35/948439435.db2.gz QGJWKKGHHLMMFL-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)n1cccc1 ZINC001573707784 948439849 /nfs/dbraw/zinc/43/98/49/948439849.db2.gz PTIZBNLURKWQJC-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)n1cccc1 ZINC001573707784 948439855 /nfs/dbraw/zinc/43/98/55/948439855.db2.gz PTIZBNLURKWQJC-QWHCGFSZSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573707983 948441029 /nfs/dbraw/zinc/44/10/29/948441029.db2.gz QMSKYUGIPUVPGF-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573707983 948441034 /nfs/dbraw/zinc/44/10/34/948441034.db2.gz QMSKYUGIPUVPGF-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)n1cccc1 ZINC001573708103 948443144 /nfs/dbraw/zinc/44/31/44/948443144.db2.gz RPNIOPHGCQSZJY-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573708264 948446755 /nfs/dbraw/zinc/44/67/55/948446755.db2.gz SHMJWGNTJDYPID-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573708264 948446763 /nfs/dbraw/zinc/44/67/63/948446763.db2.gz SHMJWGNTJDYPID-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(F)(F)F ZINC001573708260 948447173 /nfs/dbraw/zinc/44/71/73/948447173.db2.gz SHKSOTFALUTQQF-RKDXNWHRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573708669 948455877 /nfs/dbraw/zinc/45/58/77/948455877.db2.gz XAKXDNKLODNUCZ-JTQLQIEISA-N -1 1 393.452 0.829 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573708803 948459619 /nfs/dbraw/zinc/45/96/19/948459619.db2.gz XWORMZPDRATXCF-SWLSCSKDSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573708803 948459628 /nfs/dbraw/zinc/45/96/28/948459628.db2.gz XWORMZPDRATXCF-SWLSCSKDSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573708852 948459949 /nfs/dbraw/zinc/45/99/49/948459949.db2.gz XWCHRFYMTUDFKG-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)n1cccn1 ZINC001573717039 948504466 /nfs/dbraw/zinc/50/44/66/948504466.db2.gz AVXOETPBQKMRKF-QMMMGPOBSA-N -1 1 381.853 0.987 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)n1cccn1 ZINC001573717039 948504472 /nfs/dbraw/zinc/50/44/72/948504472.db2.gz AVXOETPBQKMRKF-QMMMGPOBSA-N -1 1 381.853 0.987 20 0 GCADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1cnn(C)c1 ZINC001573717143 948505221 /nfs/dbraw/zinc/50/52/21/948505221.db2.gz BZPRSWJTZAMDHL-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1cnn(C)c1 ZINC001573717143 948505223 /nfs/dbraw/zinc/50/52/23/948505223.db2.gz BZPRSWJTZAMDHL-LLVKDONJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573720697 948533757 /nfs/dbraw/zinc/53/37/57/948533757.db2.gz RTGMSXXHEMSFJU-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573720697 948533764 /nfs/dbraw/zinc/53/37/64/948533764.db2.gz RTGMSXXHEMSFJU-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)N(C)CC(F)(F)F ZINC001573720719 948534623 /nfs/dbraw/zinc/53/46/23/948534623.db2.gz SGPGABGQKGKBFQ-SECBINFHSA-N -1 1 387.370 0.092 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)N(C)CC(F)(F)F ZINC001573720719 948534625 /nfs/dbraw/zinc/53/46/25/948534625.db2.gz SGPGABGQKGKBFQ-SECBINFHSA-N -1 1 387.370 0.092 20 0 GCADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573721324 948539928 /nfs/dbraw/zinc/53/99/28/948539928.db2.gz XLHHTCGBZOVRRU-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573721324 948539934 /nfs/dbraw/zinc/53/99/34/948539934.db2.gz XLHHTCGBZOVRRU-GFCCVEGCSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)n1cccc1 ZINC001573726267 948547276 /nfs/dbraw/zinc/54/72/76/948547276.db2.gz HLKAPJZRODMOJG-MGPQQGTHSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)n1cccc1 ZINC001573726267 948547280 /nfs/dbraw/zinc/54/72/80/948547280.db2.gz HLKAPJZRODMOJG-MGPQQGTHSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573726757 948551913 /nfs/dbraw/zinc/55/19/13/948551913.db2.gz JYBXRBFRMMSRIX-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573726757 948551921 /nfs/dbraw/zinc/55/19/21/948551921.db2.gz JYBXRBFRMMSRIX-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC001573728196 948559414 /nfs/dbraw/zinc/55/94/14/948559414.db2.gz PYMKPQSJLHHWPT-JHJVBQTASA-N -1 1 396.459 0.382 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC001573728196 948559424 /nfs/dbraw/zinc/55/94/24/948559424.db2.gz PYMKPQSJLHHWPT-JHJVBQTASA-N -1 1 396.459 0.382 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573728981 948563284 /nfs/dbraw/zinc/56/32/84/948563284.db2.gz RVCFDDKACHZQTA-FRRDWIJNSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573728981 948563294 /nfs/dbraw/zinc/56/32/94/948563294.db2.gz RVCFDDKACHZQTA-FRRDWIJNSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573729450 948567996 /nfs/dbraw/zinc/56/79/96/948567996.db2.gz TYHMQKWEVHRODP-GMXVVIOVSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573729450 948567999 /nfs/dbraw/zinc/56/79/99/948567999.db2.gz TYHMQKWEVHRODP-GMXVVIOVSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cncn1 ZINC001573729512 948570201 /nfs/dbraw/zinc/57/02/01/948570201.db2.gz UJOYMXJHJJJWPP-SDDRHHMPSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cncn1 ZINC001573729512 948570210 /nfs/dbraw/zinc/57/02/10/948570210.db2.gz UJOYMXJHJJJWPP-SDDRHHMPSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573729934 948574184 /nfs/dbraw/zinc/57/41/84/948574184.db2.gz WVYCJJTWXPQMHZ-FRRDWIJNSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573730948 948585834 /nfs/dbraw/zinc/58/58/34/948585834.db2.gz TYHMQKWEVHRODP-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573730948 948585838 /nfs/dbraw/zinc/58/58/38/948585838.db2.gz TYHMQKWEVHRODP-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)N(C)CC(F)(F)F ZINC001573731155 948587805 /nfs/dbraw/zinc/58/78/05/948587805.db2.gz DXFBYDGKWBMRIZ-DTWKUNHWSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)N(C)CC(F)(F)F ZINC001573731155 948587807 /nfs/dbraw/zinc/58/78/07/948587807.db2.gz DXFBYDGKWBMRIZ-DTWKUNHWSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)N(C)CC(F)(F)F ZINC001573732389 948601630 /nfs/dbraw/zinc/60/16/30/948601630.db2.gz OBXTVWXJFROJCU-DTWKUNHWSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)N(C)CC(F)(F)F ZINC001573732389 948601635 /nfs/dbraw/zinc/60/16/35/948601635.db2.gz OBXTVWXJFROJCU-DTWKUNHWSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H](C)n1cncn1 ZINC001573732645 948605639 /nfs/dbraw/zinc/60/56/39/948605639.db2.gz TZKGRTXCAMKGDY-BQBZGAKWSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H](C)n1cncn1 ZINC001573732645 948605640 /nfs/dbraw/zinc/60/56/40/948605640.db2.gz TZKGRTXCAMKGDY-BQBZGAKWSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573736270 948614135 /nfs/dbraw/zinc/61/41/35/948614135.db2.gz MFVHVOSBDZRVBC-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573736270 948614140 /nfs/dbraw/zinc/61/41/40/948614140.db2.gz MFVHVOSBDZRVBC-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573736479 948616259 /nfs/dbraw/zinc/61/62/59/948616259.db2.gz XFBDETAVAWTYAE-YNEHKIRRSA-N -1 1 382.432 0.376 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573739803 948624260 /nfs/dbraw/zinc/62/42/60/948624260.db2.gz HTPAYPKAZMGPPB-LOWDOPEQSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1O)c1cccs1 ZINC001573740231 948631504 /nfs/dbraw/zinc/63/15/04/948631504.db2.gz LPWSQNWPGUMXBA-HBNTYKKESA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1O)c1cccs1 ZINC001573740231 948631510 /nfs/dbraw/zinc/63/15/10/948631510.db2.gz LPWSQNWPGUMXBA-HBNTYKKESA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573741620 948657424 /nfs/dbraw/zinc/65/74/24/948657424.db2.gz DXFBYDGKWBMRIZ-RKDXNWHRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573741620 948657428 /nfs/dbraw/zinc/65/74/28/948657428.db2.gz DXFBYDGKWBMRIZ-RKDXNWHRSA-N -1 1 387.370 0.456 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H](C)n1cncn1 ZINC001573742581 948663303 /nfs/dbraw/zinc/66/33/03/948663303.db2.gz MVCSPNWTTXUUJR-RNFRBKRXSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573746114 948678665 /nfs/dbraw/zinc/67/86/65/948678665.db2.gz JPSLSFVHVGPGSU-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573746114 948678670 /nfs/dbraw/zinc/67/86/70/948678670.db2.gz JPSLSFVHVGPGSU-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573746095 948679213 /nfs/dbraw/zinc/67/92/13/948679213.db2.gz ITDXCYDJIUVSAW-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573746095 948679218 /nfs/dbraw/zinc/67/92/18/948679218.db2.gz ITDXCYDJIUVSAW-NQBHXWOUSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)Nc1ccccc1S(=O)(=O)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573754740 948746598 /nfs/dbraw/zinc/74/65/98/948746598.db2.gz JOFGOMVNRGHIRM-VIFPVBQESA-N -1 1 388.413 0.594 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574416397 948746773 /nfs/dbraw/zinc/74/67/73/948746773.db2.gz UETNZBIBOWAYQQ-AWEZNQCLSA-N -1 1 382.428 0.405 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001574416526 948749362 /nfs/dbraw/zinc/74/93/62/948749362.db2.gz WZKULWBDESQJSU-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001574416526 948749367 /nfs/dbraw/zinc/74/93/67/948749367.db2.gz WZKULWBDESQJSU-GFCCVEGCSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)[C@@H](F)C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075855 948750265 /nfs/dbraw/zinc/75/02/65/948750265.db2.gz ZOIASBJVMIHTJT-DGCLKSJQSA-N -1 1 378.412 0.102 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CC1 ZINC001575221711 948750813 /nfs/dbraw/zinc/75/08/13/948750813.db2.gz BSMILGPPEHFBDP-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CC1 ZINC001575221711 948750823 /nfs/dbraw/zinc/75/08/23/948750823.db2.gz BSMILGPPEHFBDP-RTCCRHLQSA-N -1 1 390.398 0.891 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574678493 948753600 /nfs/dbraw/zinc/75/36/00/948753600.db2.gz GFHPMNCAPIYGJJ-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574678493 948753614 /nfs/dbraw/zinc/75/36/14/948753614.db2.gz GFHPMNCAPIYGJJ-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](C(=O)Nc1nccc(Br)c1[O-])n1cnc(-c2nn[nH]n2)n1 ZINC001573755245 948757979 /nfs/dbraw/zinc/75/79/79/948757979.db2.gz NCUHJNJLCFOFFH-RXMQYKEDSA-N -1 1 380.166 0.521 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CC1 ZINC001575223296 948761093 /nfs/dbraw/zinc/76/10/93/948761093.db2.gz NGCNWVPWBCHERB-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417107 948766530 /nfs/dbraw/zinc/76/65/30/948766530.db2.gz LFNMKXCKWSCMEP-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417107 948766540 /nfs/dbraw/zinc/76/65/40/948766540.db2.gz LFNMKXCKWSCMEP-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574418164 948772694 /nfs/dbraw/zinc/77/26/94/948772694.db2.gz UJQYPHFAUZUWFH-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574418164 948772704 /nfs/dbraw/zinc/77/27/04/948772704.db2.gz UJQYPHFAUZUWFH-LLVKDONJSA-N -1 1 383.416 0.378 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574679258 948774073 /nfs/dbraw/zinc/77/40/73/948774073.db2.gz RGMIXXZZNXOPFA-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574679258 948774089 /nfs/dbraw/zinc/77/40/89/948774089.db2.gz RGMIXXZZNXOPFA-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679351 948776241 /nfs/dbraw/zinc/77/62/41/948776241.db2.gz TVMPKUBQDAFXSF-NWDGAFQWSA-N -1 1 383.416 0.826 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679351 948776260 /nfs/dbraw/zinc/77/62/60/948776260.db2.gz TVMPKUBQDAFXSF-NWDGAFQWSA-N -1 1 383.416 0.826 20 0 GCADMM CC(F)(F)C1(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224368 948784918 /nfs/dbraw/zinc/78/49/18/948784918.db2.gz VLGQJXLQPHGNLB-UHFFFAOYSA-N -1 1 378.387 0.821 20 0 GCADMM CC(F)(F)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001575224523 948787193 /nfs/dbraw/zinc/78/71/93/948787193.db2.gz ONJSGJVCMJGOSZ-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001575224523 948787206 /nfs/dbraw/zinc/78/72/06/948787206.db2.gz ONJSGJVCMJGOSZ-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575224702 948791977 /nfs/dbraw/zinc/79/19/77/948791977.db2.gz QLCKFSLJNQDQQW-UHFFFAOYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575224702 948791991 /nfs/dbraw/zinc/79/19/91/948791991.db2.gz QLCKFSLJNQDQQW-UHFFFAOYSA-N -1 1 382.375 0.150 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574679652 948792594 /nfs/dbraw/zinc/79/25/94/948792594.db2.gz ZUDPCDNFIHIRHJ-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574679652 948792597 /nfs/dbraw/zinc/79/25/97/948792597.db2.gz ZUDPCDNFIHIRHJ-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cnn2ccccc12 ZINC001574679665 948793098 /nfs/dbraw/zinc/79/30/98/948793098.db2.gz ZZLNQUXPTZCBIS-LBPRGKRZSA-N -1 1 392.427 0.854 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cnn2ccccc12 ZINC001574679665 948793111 /nfs/dbraw/zinc/79/31/11/948793111.db2.gz ZZLNQUXPTZCBIS-LBPRGKRZSA-N -1 1 392.427 0.854 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574680083 948797465 /nfs/dbraw/zinc/79/74/65/948797465.db2.gz DCAYEVRJXMTJKO-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574680083 948797482 /nfs/dbraw/zinc/79/74/82/948797482.db2.gz DCAYEVRJXMTJKO-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM CC(C)[C@H](F)C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001574080754 948800118 /nfs/dbraw/zinc/80/01/18/948800118.db2.gz NAJCEDMIJJYVLR-RYUDHWBXSA-N -1 1 378.412 0.362 20 0 GCADMM CC(C)[C@H](F)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001574080754 948800133 /nfs/dbraw/zinc/80/01/33/948800133.db2.gz NAJCEDMIJJYVLR-RYUDHWBXSA-N -1 1 378.412 0.362 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c(F)cncc1F ZINC001574680367 948802484 /nfs/dbraw/zinc/80/24/84/948802484.db2.gz GNJUJAWLGVRWHH-QMMMGPOBSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c(F)cncc1F ZINC001574680367 948802496 /nfs/dbraw/zinc/80/24/96/948802496.db2.gz GNJUJAWLGVRWHH-QMMMGPOBSA-N -1 1 375.343 0.950 20 0 GCADMM CC(C)c1ccoc1C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001574421554 948819942 /nfs/dbraw/zinc/81/99/42/948819942.db2.gz MCUABESVKDJRBO-UHFFFAOYSA-N -1 1 386.416 0.342 20 0 GCADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cccnc1 ZINC001573756560 948820178 /nfs/dbraw/zinc/82/01/78/948820178.db2.gz SXUOFLHPVXQQKI-SCUASFONSA-N -1 1 377.412 0.406 20 0 GCADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cccnc1 ZINC001573756560 948820196 /nfs/dbraw/zinc/82/01/96/948820196.db2.gz SXUOFLHPVXQQKI-SCUASFONSA-N -1 1 377.412 0.406 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CC1 ZINC001575226952 948821496 /nfs/dbraw/zinc/82/14/96/948821496.db2.gz QEXUSEJZHPRCMQ-JZYVYDRUSA-N -1 1 376.371 0.643 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574682136 948825288 /nfs/dbraw/zinc/82/52/88/948825288.db2.gz OVYPZTFJOIBFNJ-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574682136 948825302 /nfs/dbraw/zinc/82/53/02/948825302.db2.gz OVYPZTFJOIBFNJ-RYUDHWBXSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c(Cl)cnn1C ZINC001574682868 948835010 /nfs/dbraw/zinc/83/50/10/948835010.db2.gz RZTKYAYIIOXQOP-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c(Cl)cnn1C ZINC001574682868 948835028 /nfs/dbraw/zinc/83/50/28/948835028.db2.gz RZTKYAYIIOXQOP-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574683048 948836190 /nfs/dbraw/zinc/83/61/90/948836190.db2.gz SNDXSEOBDRTESP-JTQLQIEISA-N -1 1 383.420 0.594 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574683048 948836210 /nfs/dbraw/zinc/83/62/10/948836210.db2.gz SNDXSEOBDRTESP-JTQLQIEISA-N -1 1 383.420 0.594 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c(Cl)cnn1C ZINC001574682869 948836978 /nfs/dbraw/zinc/83/69/78/948836978.db2.gz RZTKYAYIIOXQOP-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c(Cl)cnn1C ZINC001574682869 948836996 /nfs/dbraw/zinc/83/69/96/948836996.db2.gz RZTKYAYIIOXQOP-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncc(F)cc1F ZINC001574682866 948837039 /nfs/dbraw/zinc/83/70/39/948837039.db2.gz RZHGZGRSNRJUDO-MRVPVSSYSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncc(F)cc1F ZINC001574682866 948837062 /nfs/dbraw/zinc/83/70/62/948837062.db2.gz RZHGZGRSNRJUDO-MRVPVSSYSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574683272 948846923 /nfs/dbraw/zinc/84/69/23/948846923.db2.gz XEWKTSXFPKALDF-NSHDSACASA-N -1 1 383.416 0.697 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001575229452 948846828 /nfs/dbraw/zinc/84/68/28/948846828.db2.gz JBXPIJTUIQWVLK-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001575229452 948846837 /nfs/dbraw/zinc/84/68/37/948846837.db2.gz JBXPIJTUIQWVLK-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574683272 948846939 /nfs/dbraw/zinc/84/69/39/948846939.db2.gz XEWKTSXFPKALDF-NSHDSACASA-N -1 1 383.416 0.697 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001575229463 948847164 /nfs/dbraw/zinc/84/71/64/948847164.db2.gz JGLJHQWSFNJQIB-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001575229463 948847177 /nfs/dbraw/zinc/84/71/77/948847177.db2.gz JGLJHQWSFNJQIB-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574684377 948864322 /nfs/dbraw/zinc/86/43/22/948864322.db2.gz DZHWLTQWTMJMHS-BQBZGAKWSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1COC(=O)N1 ZINC001574684400 948864908 /nfs/dbraw/zinc/86/49/08/948864908.db2.gz FRQJWYSNINQIIE-PHDIDXHHSA-N -1 1 386.825 0.392 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574684402 948864954 /nfs/dbraw/zinc/86/49/54/948864954.db2.gz FRQJWYSNINQIIE-WDSKDSINSA-N -1 1 386.825 0.392 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575232508 948872308 /nfs/dbraw/zinc/87/23/08/948872308.db2.gz DKZKAYCWEGLIFC-RXMQYKEDSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575232508 948872326 /nfs/dbraw/zinc/87/23/26/948872326.db2.gz DKZKAYCWEGLIFC-RXMQYKEDSA-N -1 1 381.796 0.911 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574425467 948876785 /nfs/dbraw/zinc/87/67/85/948876785.db2.gz FKTLUOOOEASUSX-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574425467 948876799 /nfs/dbraw/zinc/87/67/99/948876799.db2.gz FKTLUOOOEASUSX-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001575232572 948878359 /nfs/dbraw/zinc/87/83/59/948878359.db2.gz FGWSELUFQLAORG-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(F)(F)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001575232572 948878373 /nfs/dbraw/zinc/87/83/73/948878373.db2.gz FGWSELUFQLAORG-UHFFFAOYSA-N -1 1 382.375 0.779 20 0 GCADMM CC(C)(C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573764370 948888716 /nfs/dbraw/zinc/88/87/16/948888716.db2.gz OEJDCGUXQFAXEH-SFHVURJKSA-N -1 1 386.460 0.280 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574426561 948892512 /nfs/dbraw/zinc/89/25/12/948892512.db2.gz SFLGCUIXCNNRQB-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1nc(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574426561 948892528 /nfs/dbraw/zinc/89/25/28/948892528.db2.gz SFLGCUIXCNNRQB-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573765344 948906262 /nfs/dbraw/zinc/90/62/62/948906262.db2.gz ZAQNOUIMONUZOB-STQMWFEESA-N -1 1 386.460 0.687 20 0 GCADMM CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574431779 948924682 /nfs/dbraw/zinc/92/46/82/948924682.db2.gz BJOICPSYMFWWAC-NSHDSACASA-N -1 1 382.432 0.565 20 0 GCADMM CC(F)(F)CC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001575235624 948924887 /nfs/dbraw/zinc/92/48/87/948924887.db2.gz XAUFTIHBEHEXJL-CQSZACIVSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001575235623 948925887 /nfs/dbraw/zinc/92/58/87/948925887.db2.gz XAUFTIHBEHEXJL-AWEZNQCLSA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574432491 948936374 /nfs/dbraw/zinc/93/63/74/948936374.db2.gz LBCFWRKQYVVCFX-LLVKDONJSA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574432491 948936387 /nfs/dbraw/zinc/93/63/87/948936387.db2.gz LBCFWRKQYVVCFX-LLVKDONJSA-N -1 1 382.432 0.825 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001575237315 948943682 /nfs/dbraw/zinc/94/36/82/948943682.db2.gz DTDFZMNKNKABBO-MWLCHTKSSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001575237315 948943689 /nfs/dbraw/zinc/94/36/89/948943689.db2.gz DTDFZMNKNKABBO-MWLCHTKSSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)(C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1c[nH]cn1 ZINC001573771684 948944002 /nfs/dbraw/zinc/94/40/02/948944002.db2.gz KWLHUODHUUUGMB-NSHDSACASA-N -1 1 382.432 0.664 20 0 GCADMM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1nccnc1-c1nnn[n-]1 ZINC001574923438 948948455 /nfs/dbraw/zinc/94/84/55/948948455.db2.gz MLWQYDGHUNCCDH-LBPRGKRZSA-N -1 1 383.416 0.073 20 0 GCADMM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1nccnc1-c1nn[n-]n1 ZINC001574923438 948948464 /nfs/dbraw/zinc/94/84/64/948948464.db2.gz MLWQYDGHUNCCDH-LBPRGKRZSA-N -1 1 383.416 0.073 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575238344 948950304 /nfs/dbraw/zinc/95/03/04/948950304.db2.gz KVVIUBYRRURJHX-ONGXEEELSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575238344 948950314 /nfs/dbraw/zinc/95/03/14/948950314.db2.gz KVVIUBYRRURJHX-ONGXEEELSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574433288 948950478 /nfs/dbraw/zinc/95/04/78/948950478.db2.gz SEMWBOBVZVIWFG-YPMHNXCESA-N -1 1 394.443 0.967 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574433339 948953519 /nfs/dbraw/zinc/95/35/19/948953519.db2.gz VIBUDSZMQHCRTF-NSHDSACASA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574433339 948953527 /nfs/dbraw/zinc/95/35/27/948953527.db2.gz VIBUDSZMQHCRTF-NSHDSACASA-N -1 1 382.432 0.825 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1O ZINC001575238374 948954549 /nfs/dbraw/zinc/95/45/49/948954549.db2.gz LQIBOIKGUBUWFH-NXEZZACHSA-N -1 1 382.375 0.148 20 0 GCADMM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1O ZINC001575238374 948954558 /nfs/dbraw/zinc/95/45/58/948954558.db2.gz LQIBOIKGUBUWFH-NXEZZACHSA-N -1 1 382.375 0.148 20 0 GCADMM C[C@H](CNC(=O)CCn1ccnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574923591 948955415 /nfs/dbraw/zinc/95/54/15/948955415.db2.gz PUNPAMPTAUYXNV-SSDOTTSWSA-N -1 1 382.841 0.575 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574433450 948957050 /nfs/dbraw/zinc/95/70/50/948957050.db2.gz NSPNNBOWMBNBSM-NSHDSACASA-N -1 1 384.448 0.768 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574433450 948957057 /nfs/dbraw/zinc/95/70/57/948957057.db2.gz NSPNNBOWMBNBSM-NSHDSACASA-N -1 1 384.448 0.768 20 0 GCADMM CC(C)[C@@H]1C[C@@H](CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574089564 948958766 /nfs/dbraw/zinc/95/87/66/948958766.db2.gz FKSLUMMFCYKBFZ-AAEUAGOBSA-N -1 1 391.432 0.087 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574923862 948960624 /nfs/dbraw/zinc/96/06/24/948960624.db2.gz SRKBATZNPPNHFA-JTQLQIEISA-N -1 1 390.839 0.538 20 0 GCADMM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574923862 948960631 /nfs/dbraw/zinc/96/06/31/948960631.db2.gz SRKBATZNPPNHFA-JTQLQIEISA-N -1 1 390.839 0.538 20 0 GCADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433592 948961025 /nfs/dbraw/zinc/96/10/25/948961025.db2.gz XVRIAUSGLRRJFS-GHMZBOCLSA-N -1 1 382.432 0.611 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574433477 948961538 /nfs/dbraw/zinc/96/15/38/948961538.db2.gz OPWRUMYHAKYXGR-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574433477 948961548 /nfs/dbraw/zinc/96/15/48/948961548.db2.gz OPWRUMYHAKYXGR-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574925555 948973011 /nfs/dbraw/zinc/97/30/11/948973011.db2.gz BBEKNWRRNZWKNQ-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574925555 948973020 /nfs/dbraw/zinc/97/30/20/948973020.db2.gz BBEKNWRRNZWKNQ-GFCCVEGCSA-N -1 1 387.448 0.366 20 0 GCADMM C[C@H](CNC(=O)CN1CCCC1=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574925506 948974960 /nfs/dbraw/zinc/97/49/60/948974960.db2.gz ARONIWRIJFGZHU-SSDOTTSWSA-N -1 1 384.853 0.516 20 0 GCADMM C[C@H](CNC(=O)CN1CCCC1=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574925506 948974969 /nfs/dbraw/zinc/97/49/69/948974969.db2.gz ARONIWRIJFGZHU-SSDOTTSWSA-N -1 1 384.853 0.516 20 0 GCADMM CC(C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574434552 948978990 /nfs/dbraw/zinc/97/89/90/948978990.db2.gz JKSVRJYJHVXMSQ-NSHDSACASA-N -1 1 385.432 0.890 20 0 GCADMM CC(C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574434552 948979004 /nfs/dbraw/zinc/97/90/04/948979004.db2.gz JKSVRJYJHVXMSQ-NSHDSACASA-N -1 1 385.432 0.890 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573773287 948981028 /nfs/dbraw/zinc/98/10/28/948981028.db2.gz JKDYUURJCWTTQO-CYBMUJFWSA-N -1 1 379.428 0.724 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573773287 948981040 /nfs/dbraw/zinc/98/10/40/948981040.db2.gz JKDYUURJCWTTQO-CYBMUJFWSA-N -1 1 379.428 0.724 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001574689528 948987657 /nfs/dbraw/zinc/98/76/57/948987657.db2.gz IAKIWTNMESWFHB-WDEREUQCSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001574689528 948987672 /nfs/dbraw/zinc/98/76/72/948987672.db2.gz IAKIWTNMESWFHB-WDEREUQCSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001574689527 948988218 /nfs/dbraw/zinc/98/82/18/948988218.db2.gz IAKIWTNMESWFHB-QWRGUYRKSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001574689527 948988228 /nfs/dbraw/zinc/98/82/28/948988228.db2.gz IAKIWTNMESWFHB-QWRGUYRKSA-N -1 1 382.432 0.492 20 0 GCADMM CC(C)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435287 948990982 /nfs/dbraw/zinc/99/09/82/948990982.db2.gz RQXIIYLRZCCDIS-LLVKDONJSA-N -1 1 399.415 0.864 20 0 GCADMM CC(C)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435287 948990993 /nfs/dbraw/zinc/99/09/93/948990993.db2.gz RQXIIYLRZCCDIS-LLVKDONJSA-N -1 1 399.415 0.864 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574439457 949005453 /nfs/dbraw/zinc/00/54/53/949005453.db2.gz FIXFOIJLHOTPAZ-SECBINFHSA-N -1 1 386.445 0.958 20 0 GCADMM CC(C)c1nnsc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574439457 949005467 /nfs/dbraw/zinc/00/54/67/949005467.db2.gz FIXFOIJLHOTPAZ-SECBINFHSA-N -1 1 386.445 0.958 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575501336 949006986 /nfs/dbraw/zinc/00/69/86/949006986.db2.gz GNJAUNUGPRKDBX-LBPRGKRZSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575501336 949007001 /nfs/dbraw/zinc/00/70/01/949007001.db2.gz GNJAUNUGPRKDBX-LBPRGKRZSA-N -1 1 383.416 0.414 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@H](C)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001574439522 949008475 /nfs/dbraw/zinc/00/84/75/949008475.db2.gz GNCOHWFZEPUTMR-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@H](C)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001574439522 949008487 /nfs/dbraw/zinc/00/84/87/949008487.db2.gz GNCOHWFZEPUTMR-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575501378 949010806 /nfs/dbraw/zinc/01/08/06/949010806.db2.gz HIJWLWCCKCFPJM-VXGBXAGGSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575501396 949011401 /nfs/dbraw/zinc/01/14/01/949011401.db2.gz HMDQOARYYSOWLX-NEPJUHHUSA-N -1 1 383.416 0.200 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575501438 949011575 /nfs/dbraw/zinc/01/15/75/949011575.db2.gz HTMBYIMVHAPFJO-LBPRGKRZSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575501438 949011589 /nfs/dbraw/zinc/01/15/89/949011589.db2.gz HTMBYIMVHAPFJO-LBPRGKRZSA-N -1 1 383.416 0.414 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573774510 949012004 /nfs/dbraw/zinc/01/20/04/949012004.db2.gz TUUXSYUCLYMKDX-ZDUSSCGKSA-N -1 1 379.428 0.724 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573774510 949012021 /nfs/dbraw/zinc/01/20/21/949012021.db2.gz TUUXSYUCLYMKDX-ZDUSSCGKSA-N -1 1 379.428 0.724 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575501401 949013778 /nfs/dbraw/zinc/01/37/78/949013778.db2.gz HMDQOARYYSOWLX-RYUDHWBXSA-N -1 1 383.416 0.200 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001574439571 949013841 /nfs/dbraw/zinc/01/38/41/949013841.db2.gz HRZLVWHDXYQWDA-UHFFFAOYSA-N -1 1 376.450 0.852 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001574439571 949013859 /nfs/dbraw/zinc/01/38/59/949013859.db2.gz HRZLVWHDXYQWDA-UHFFFAOYSA-N -1 1 376.450 0.852 20 0 GCADMM CC(C)c1noc(CCC(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)n1 ZINC001574439870 949016389 /nfs/dbraw/zinc/01/63/89/949016389.db2.gz KXAMCQLGIMEGCZ-UHFFFAOYSA-N -1 1 386.420 0.348 20 0 GCADMM CC(C)c1noc(CCC(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)n1 ZINC001574439870 949016406 /nfs/dbraw/zinc/01/64/06/949016406.db2.gz KXAMCQLGIMEGCZ-UHFFFAOYSA-N -1 1 386.420 0.348 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574439885 949017841 /nfs/dbraw/zinc/01/78/41/949017841.db2.gz LIOGSTJBSWYJKW-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)N[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574439885 949017856 /nfs/dbraw/zinc/01/78/56/949017856.db2.gz LIOGSTJBSWYJKW-SNVBAGLBSA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574440112 949020747 /nfs/dbraw/zinc/02/07/47/949020747.db2.gz NSHLBMVHHYUQFS-VIFPVBQESA-N -1 1 388.461 0.626 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574691380 949021538 /nfs/dbraw/zinc/02/15/38/949021538.db2.gz WWWVURZJABNFBW-RISCZKNCSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574691380 949021558 /nfs/dbraw/zinc/02/15/58/949021558.db2.gz WWWVURZJABNFBW-RISCZKNCSA-N -1 1 380.412 0.967 20 0 GCADMM CC(C)c1nnsc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574440129 949023078 /nfs/dbraw/zinc/02/30/78/949023078.db2.gz OASOKOZKHRKRCW-VIFPVBQESA-N -1 1 386.445 0.640 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574691379 949024390 /nfs/dbraw/zinc/02/43/90/949024390.db2.gz WWWVURZJABNFBW-FZMZJTMJSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574691379 949024410 /nfs/dbraw/zinc/02/44/10/949024410.db2.gz WWWVURZJABNFBW-FZMZJTMJSA-N -1 1 380.412 0.967 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001573774985 949026528 /nfs/dbraw/zinc/02/65/28/949026528.db2.gz RARBWKLZUALPIA-NWDGAFQWSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001573774985 949026544 /nfs/dbraw/zinc/02/65/44/949026544.db2.gz RARBWKLZUALPIA-NWDGAFQWSA-N -1 1 390.448 0.141 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574926922 949029455 /nfs/dbraw/zinc/02/94/55/949029455.db2.gz DBKNXRIAQHHRMQ-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574926922 949029475 /nfs/dbraw/zinc/02/94/75/949029475.db2.gz DBKNXRIAQHHRMQ-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926964 949033243 /nfs/dbraw/zinc/03/32/43/949033243.db2.gz DNKADNVEESLAIL-LURJTMIESA-N -1 1 384.853 0.419 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCCO1 ZINC001573775223 949033215 /nfs/dbraw/zinc/03/32/15/949033215.db2.gz UCUXBROCPHAXRH-DGCLKSJQSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCCO1 ZINC001573775223 949033235 /nfs/dbraw/zinc/03/32/35/949033235.db2.gz UCUXBROCPHAXRH-DGCLKSJQSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573775442 949041790 /nfs/dbraw/zinc/04/17/90/949041790.db2.gz WPUBEPQMYAIBNG-NSHDSACASA-N -1 1 382.432 0.664 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574927212 949042341 /nfs/dbraw/zinc/04/23/41/949042341.db2.gz HIANIIACRSQISZ-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574927212 949042324 /nfs/dbraw/zinc/04/23/24/949042324.db2.gz HIANIIACRSQISZ-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574927533 949045124 /nfs/dbraw/zinc/04/51/24/949045124.db2.gz JVMPGNJONQFRPQ-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574927533 949045145 /nfs/dbraw/zinc/04/51/45/949045145.db2.gz JVMPGNJONQFRPQ-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574927929 949048330 /nfs/dbraw/zinc/04/83/30/949048330.db2.gz MNSKVYBMDHGXDE-LLVKDONJSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CNC(=O)C(C)(C)C ZINC001574693162 949050093 /nfs/dbraw/zinc/05/00/93/949050093.db2.gz BGLRSNMXQGFANA-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CNC(=O)C(C)(C)C ZINC001574693162 949050108 /nfs/dbraw/zinc/05/01/08/949050108.db2.gz BGLRSNMXQGFANA-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574693211 949050443 /nfs/dbraw/zinc/05/04/43/949050443.db2.gz COSZPFIJSCKTLU-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574693211 949050473 /nfs/dbraw/zinc/05/04/73/949050473.db2.gz COSZPFIJSCKTLU-SNVBAGLBSA-N -1 1 383.420 0.133 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574693209 949051631 /nfs/dbraw/zinc/05/16/31/949051631.db2.gz COSZPFIJSCKTLU-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574693209 949051649 /nfs/dbraw/zinc/05/16/49/949051649.db2.gz COSZPFIJSCKTLU-JTQLQIEISA-N -1 1 383.420 0.133 20 0 GCADMM C[C@H](CCc1ccccc1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574693437 949054475 /nfs/dbraw/zinc/05/44/75/949054475.db2.gz HOGGOIHBHHDVGH-GFCCVEGCSA-N -1 1 383.412 0.657 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnn(C)n1 ZINC001574693389 949055189 /nfs/dbraw/zinc/05/51/89/949055189.db2.gz GXBISLMYJYILRS-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnn(C)n1 ZINC001574693389 949055208 /nfs/dbraw/zinc/05/52/08/949055208.db2.gz GXBISLMYJYILRS-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441278 949055829 /nfs/dbraw/zinc/05/58/29/949055829.db2.gz JAUFVNZVCCWJOG-XYPYZODXSA-N -1 1 383.416 0.811 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575504008 949057549 /nfs/dbraw/zinc/05/75/49/949057549.db2.gz QTGDPCWSNHGUSF-LBPRGKRZSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575504008 949057570 /nfs/dbraw/zinc/05/75/70/949057570.db2.gz QTGDPCWSNHGUSF-LBPRGKRZSA-N -1 1 383.416 0.414 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575248303 949070772 /nfs/dbraw/zinc/07/07/72/949070772.db2.gz QOHAFIIFNCAUJS-NSHDSACASA-N -1 1 389.464 0.102 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575248303 949070790 /nfs/dbraw/zinc/07/07/90/949070790.db2.gz QOHAFIIFNCAUJS-NSHDSACASA-N -1 1 389.464 0.102 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575504456 949073067 /nfs/dbraw/zinc/07/30/67/949073067.db2.gz UXKSNUGKMQOIGR-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575504456 949073087 /nfs/dbraw/zinc/07/30/87/949073087.db2.gz UXKSNUGKMQOIGR-RYUDHWBXSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574929162 949080809 /nfs/dbraw/zinc/08/08/09/949080809.db2.gz ZTZYGNXTIXDMGQ-NSHDSACASA-N -1 1 381.400 0.003 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574929162 949080830 /nfs/dbraw/zinc/08/08/30/949080830.db2.gz ZTZYGNXTIXDMGQ-NSHDSACASA-N -1 1 381.400 0.003 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573780233 949084196 /nfs/dbraw/zinc/08/41/96/949084196.db2.gz TZWGXFJFGKGISE-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573780233 949084218 /nfs/dbraw/zinc/08/42/18/949084218.db2.gz TZWGXFJFGKGISE-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1nnn(C)n1 ZINC001574694702 949090409 /nfs/dbraw/zinc/09/04/09/949090409.db2.gz UUWQQBSJUOEVEW-RXMQYKEDSA-N -1 1 383.829 0.121 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1nnn(C)n1 ZINC001574694702 949090431 /nfs/dbraw/zinc/09/04/31/949090431.db2.gz UUWQQBSJUOEVEW-RXMQYKEDSA-N -1 1 383.829 0.121 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1nnn(C)n1 ZINC001574694703 949092833 /nfs/dbraw/zinc/09/28/33/949092833.db2.gz UUWQQBSJUOEVEW-YFKPBYRVSA-N -1 1 383.829 0.121 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1nnn(C)n1 ZINC001574694703 949092844 /nfs/dbraw/zinc/09/28/44/949092844.db2.gz UUWQQBSJUOEVEW-YFKPBYRVSA-N -1 1 383.829 0.121 20 0 GCADMM C[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249254 949095795 /nfs/dbraw/zinc/09/57/95/949095795.db2.gz YLCSXCYJPOQGPK-RYUDHWBXSA-N -1 1 386.460 0.993 20 0 GCADMM C[C@H](NC(=O)C(=O)C(C)(C)C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249254 949095774 /nfs/dbraw/zinc/09/57/74/949095774.db2.gz YLCSXCYJPOQGPK-RYUDHWBXSA-N -1 1 386.460 0.993 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575249615 949102033 /nfs/dbraw/zinc/10/20/33/949102033.db2.gz ZNEJBHWDWVUBHX-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575249615 949102041 /nfs/dbraw/zinc/10/20/41/949102041.db2.gz ZNEJBHWDWVUBHX-GHMZBOCLSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)COCC2 ZINC001574695149 949103983 /nfs/dbraw/zinc/10/39/83/949103983.db2.gz CXDFKIMGZXUDIC-SNVBAGLBSA-N -1 1 384.404 0.004 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)COCC2 ZINC001574695149 949103993 /nfs/dbraw/zinc/10/39/93/949103993.db2.gz CXDFKIMGZXUDIC-SNVBAGLBSA-N -1 1 384.404 0.004 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)n1 ZINC001574695187 949104978 /nfs/dbraw/zinc/10/49/78/949104978.db2.gz DSGBNXWIXGQNFM-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)n1 ZINC001574695187 949104993 /nfs/dbraw/zinc/10/49/93/949104993.db2.gz DSGBNXWIXGQNFM-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)[C@@H]1C[C@H](CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001574093559 949110262 /nfs/dbraw/zinc/11/02/62/949110262.db2.gz SSOZHFOUDYBDRH-YPMHNXCESA-N -1 1 391.432 0.087 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574093603 949110874 /nfs/dbraw/zinc/11/08/74/949110874.db2.gz WNDUCGXSLWSYGE-KBPBESRZSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574093603 949110882 /nfs/dbraw/zinc/11/08/82/949110882.db2.gz WNDUCGXSLWSYGE-KBPBESRZSA-N -1 1 385.476 0.187 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cc(Cl)cn1 ZINC001574695579 949113543 /nfs/dbraw/zinc/11/35/43/949113543.db2.gz IDWYOIKNKIUFMR-JTQLQIEISA-N -1 1 390.839 0.904 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cc(Cl)cn1 ZINC001574695579 949113550 /nfs/dbraw/zinc/11/35/50/949113550.db2.gz IDWYOIKNKIUFMR-JTQLQIEISA-N -1 1 390.839 0.904 20 0 GCADMM C[C@@H](CNC(=O)CO[C@H]1CCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574931066 949113546 /nfs/dbraw/zinc/11/35/46/949113546.db2.gz NDCFPAODVWEERL-YUMQZZPRSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CNC(=O)CO[C@H]1CCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574931066 949113555 /nfs/dbraw/zinc/11/35/55/949113555.db2.gz NDCFPAODVWEERL-YUMQZZPRSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CNC(=O)CO[C@H]1CCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574931064 949114424 /nfs/dbraw/zinc/11/44/24/949114424.db2.gz NDCFPAODVWEERL-SFYZADRCSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CNC(=O)CO[C@H]1CCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574931064 949114440 /nfs/dbraw/zinc/11/44/40/949114440.db2.gz NDCFPAODVWEERL-SFYZADRCSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1nn(C)cc1Cl ZINC001574695832 949116419 /nfs/dbraw/zinc/11/64/19/949116419.db2.gz KGBRGZATMGADFP-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1nn(C)cc1Cl ZINC001574695832 949116436 /nfs/dbraw/zinc/11/64/36/949116436.db2.gz KGBRGZATMGADFP-QMMMGPOBSA-N -1 1 376.812 0.664 20 0 GCADMM CC(C)(C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573782062 949117040 /nfs/dbraw/zinc/11/70/40/949117040.db2.gz PMHXTSJPFLBLSH-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC(C)(C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573782062 949117050 /nfs/dbraw/zinc/11/70/50/949117050.db2.gz PMHXTSJPFLBLSH-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573782060 949117547 /nfs/dbraw/zinc/11/75/47/949117547.db2.gz PLRWBWUSCFCNGK-PHIMTYICSA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573782364 949121410 /nfs/dbraw/zinc/12/14/10/949121410.db2.gz SWGCZKNZJWCBQX-DTORHVGOSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C(N)=O ZINC001575510128 949121658 /nfs/dbraw/zinc/12/16/58/949121658.db2.gz GJFCMNLHBZNCGJ-CABZTGNLSA-N -1 1 392.466 0.864 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C(F)F ZINC001573782320 949121728 /nfs/dbraw/zinc/12/17/28/949121728.db2.gz REPKJVMFPWIMAO-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C(F)F ZINC001573782320 949121733 /nfs/dbraw/zinc/12/17/33/949121733.db2.gz REPKJVMFPWIMAO-VIFPVBQESA-N -1 1 382.375 0.269 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1c[nH]cn1 ZINC001573782674 949126770 /nfs/dbraw/zinc/12/67/70/949126770.db2.gz GWSVYJUDESTUTD-PHIMTYICSA-N -1 1 382.432 0.664 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574094118 949129620 /nfs/dbraw/zinc/12/96/20/949129620.db2.gz XLZFATUVHHEERZ-QWHCGFSZSA-N -1 1 386.460 0.448 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCOC1CCOCC1 ZINC001574696271 949130547 /nfs/dbraw/zinc/13/05/47/949130547.db2.gz OYKVFPPTSHVRPR-LBPRGKRZSA-N -1 1 390.448 0.549 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCOC1CCOCC1 ZINC001574696271 949130560 /nfs/dbraw/zinc/13/05/60/949130560.db2.gz OYKVFPPTSHVRPR-LBPRGKRZSA-N -1 1 390.448 0.549 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574094442 949137136 /nfs/dbraw/zinc/13/71/36/949137136.db2.gz WBXLXWFGUWTEBR-UONOGXRCSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574696658 949138188 /nfs/dbraw/zinc/13/81/88/949138188.db2.gz TYWZQZYFKJBNHQ-SSDOTTSWSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574696658 949138200 /nfs/dbraw/zinc/13/82/00/949138200.db2.gz TYWZQZYFKJBNHQ-SSDOTTSWSA-N -1 1 378.347 0.938 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(CN(C)C)on1 ZINC001574696867 949143778 /nfs/dbraw/zinc/14/37/78/949143778.db2.gz WIEALEGBVYYTRK-SNVBAGLBSA-N -1 1 386.420 0.327 20 0 GCADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573786769 949146595 /nfs/dbraw/zinc/14/65/95/949146595.db2.gz ABZPAJFEKPIMSI-XYPYZODXSA-N -1 1 382.432 0.086 20 0 GCADMM C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574934034 949146847 /nfs/dbraw/zinc/14/68/47/949146847.db2.gz ASNCFSPBVREYFM-VIFPVBQESA-N -1 1 390.354 0.352 20 0 GCADMM CC(C)c1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574446963 949150163 /nfs/dbraw/zinc/15/01/63/949150163.db2.gz CWOIRUVUAWSFJJ-IWIIMEHWSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574446963 949150177 /nfs/dbraw/zinc/15/01/77/949150177.db2.gz CWOIRUVUAWSFJJ-IWIIMEHWSA-N -1 1 381.400 0.633 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574697155 949151468 /nfs/dbraw/zinc/15/14/68/949151468.db2.gz ZEWYEMGLNLICIR-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574697155 949151483 /nfs/dbraw/zinc/15/14/83/949151483.db2.gz ZEWYEMGLNLICIR-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574095447 949151459 /nfs/dbraw/zinc/15/14/59/949151459.db2.gz YNNPZAFBJWMKMJ-AAVRWANBSA-N -1 1 386.460 0.589 20 0 GCADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574447152 949152804 /nfs/dbraw/zinc/15/28/04/949152804.db2.gz IQCPCPLTFWGUPT-PHIMTYICSA-N -1 1 383.416 0.811 20 0 GCADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574095449 949153169 /nfs/dbraw/zinc/15/31/69/949153169.db2.gz YNNPZAFBJWMKMJ-SYQHCUMBSA-N -1 1 386.460 0.589 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001573786984 949160804 /nfs/dbraw/zinc/16/08/04/949160804.db2.gz HXIAQQFBXZQSLJ-NSHDSACASA-N -1 1 390.448 0.960 20 0 GCADMM CC(C)(C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001573786984 949160817 /nfs/dbraw/zinc/16/08/17/949160817.db2.gz HXIAQQFBXZQSLJ-NSHDSACASA-N -1 1 390.448 0.960 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574697958 949166252 /nfs/dbraw/zinc/16/62/52/949166252.db2.gz DNKLDWNSCATNAM-JSGCOSHPSA-N -1 1 384.419 0.918 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574934541 949168073 /nfs/dbraw/zinc/16/80/73/949168073.db2.gz KLBGXNRGPCSDCO-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574934541 949168081 /nfs/dbraw/zinc/16/80/81/949168081.db2.gz KLBGXNRGPCSDCO-NSHDSACASA-N -1 1 386.391 0.816 20 0 GCADMM CC(C)c1ocnc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574447716 949171562 /nfs/dbraw/zinc/17/15/62/949171562.db2.gz YOWPLQHWFHLMTE-UHFFFAOYSA-N -1 1 383.416 0.955 20 0 GCADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573787308 949174496 /nfs/dbraw/zinc/17/44/96/949174496.db2.gz SLWINPRZNLZGRR-JHJVBQTASA-N -1 1 386.460 0.733 20 0 GCADMM CC(C)(C(N)=O)C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573788251 949195183 /nfs/dbraw/zinc/19/51/83/949195183.db2.gz JFLOMHAQTPLIHT-KZULUSFZSA-N -1 1 399.459 0.033 20 0 GCADMM CC(C)(C(N)=O)C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573788251 949195200 /nfs/dbraw/zinc/19/52/00/949195200.db2.gz JFLOMHAQTPLIHT-KZULUSFZSA-N -1 1 399.459 0.033 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698518 949196150 /nfs/dbraw/zinc/19/61/50/949196150.db2.gz MGOINIQTWSGREH-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698518 949196166 /nfs/dbraw/zinc/19/61/66/949196166.db2.gz MGOINIQTWSGREH-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM CC(C)(C(N)=O)C(=O)NCCC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573788616 949205924 /nfs/dbraw/zinc/20/59/24/949205924.db2.gz PEXVQXVXKIRAIE-NSHDSACASA-N -1 1 387.448 0.033 20 0 GCADMM CC(C)(C(N)=O)C(=O)NCCC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573788616 949205941 /nfs/dbraw/zinc/20/59/41/949205941.db2.gz PEXVQXVXKIRAIE-NSHDSACASA-N -1 1 387.448 0.033 20 0 GCADMM CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574102892 949213779 /nfs/dbraw/zinc/21/37/79/949213779.db2.gz FSUCTUXCPAVGGK-ACJLOTCBSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575254766 949216210 /nfs/dbraw/zinc/21/62/10/949216210.db2.gz XQCAKFFSNLHHCI-GARJFASQSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575254766 949216226 /nfs/dbraw/zinc/21/62/26/949216226.db2.gz XQCAKFFSNLHHCI-GARJFASQSA-N -1 1 387.448 0.267 20 0 GCADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576151312 949217557 /nfs/dbraw/zinc/21/75/57/949217557.db2.gz GFEBLSADZQFQIN-NXEZZACHSA-N -1 1 388.432 0.520 20 0 GCADMM C[C@@H]1CCC[C@H](CNC(=O)N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)C1 ZINC001576151273 949217982 /nfs/dbraw/zinc/21/79/82/949217982.db2.gz FQLJUOUQQVJWMU-MNOVXSKESA-N -1 1 388.432 0.522 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698994 949224671 /nfs/dbraw/zinc/22/46/71/949224671.db2.gz QYFVVCCYAGWORT-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698994 949224687 /nfs/dbraw/zinc/22/46/87/949224687.db2.gz QYFVVCCYAGWORT-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001575853986 949225509 /nfs/dbraw/zinc/22/55/09/949225509.db2.gz PWZRGHPRFKXZCR-LBPRGKRZSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001575853986 949225534 /nfs/dbraw/zinc/22/55/34/949225534.db2.gz PWZRGHPRFKXZCR-LBPRGKRZSA-N -1 1 388.432 0.255 20 0 GCADMM C[C@@H]1CCC[C@@H](CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576151635 949230593 /nfs/dbraw/zinc/23/05/93/949230593.db2.gz HTOJXAONJFZTFJ-GHMZBOCLSA-N -1 1 376.421 0.255 20 0 GCADMM CC(C)c1oncc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574451676 949235658 /nfs/dbraw/zinc/23/56/58/949235658.db2.gz TYPKRULNASDZKN-UHFFFAOYSA-N -1 1 383.416 0.955 20 0 GCADMM C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576151918 949236630 /nfs/dbraw/zinc/23/66/30/949236630.db2.gz GRJCJCUGRHZMKB-XUXIUFHCSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574699438 949240131 /nfs/dbraw/zinc/24/01/31/949240131.db2.gz UWIKSSQJDUYREX-NKWVEPMBSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574699438 949240147 /nfs/dbraw/zinc/24/01/47/949240147.db2.gz UWIKSSQJDUYREX-NKWVEPMBSA-N -1 1 386.869 0.747 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574699738 949245200 /nfs/dbraw/zinc/24/52/00/949245200.db2.gz WEJMUBNNLKHIGR-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699738 949245225 /nfs/dbraw/zinc/24/52/25/949245225.db2.gz WEJMUBNNLKHIGR-VXGBXAGGSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574938498 949247440 /nfs/dbraw/zinc/24/74/40/949247440.db2.gz XCOODSQKNHHKOG-SNVBAGLBSA-N -1 1 388.382 0.764 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574700013 949248465 /nfs/dbraw/zinc/24/84/65/949248465.db2.gz XUGVMYDBFPGAQN-NWDGAFQWSA-N -1 1 383.416 0.200 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574451982 949255411 /nfs/dbraw/zinc/25/54/11/949255411.db2.gz CYKBEDDZLAXIGO-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574451982 949255433 /nfs/dbraw/zinc/25/54/33/949255433.db2.gz CYKBEDDZLAXIGO-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)cn1 ZINC001574452270 949256694 /nfs/dbraw/zinc/25/66/94/949256694.db2.gz ILCACSXTLRTZNZ-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)cn1 ZINC001574452270 949256708 /nfs/dbraw/zinc/25/67/08/949256708.db2.gz ILCACSXTLRTZNZ-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001575857241 949264025 /nfs/dbraw/zinc/26/40/25/949264025.db2.gz QDDYQGGVAVXTGD-NSHDSACASA-N -1 1 385.432 0.118 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001575857241 949264040 /nfs/dbraw/zinc/26/40/40/949264040.db2.gz QDDYQGGVAVXTGD-NSHDSACASA-N -1 1 385.432 0.118 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)cn1 ZINC001574452497 949264517 /nfs/dbraw/zinc/26/45/17/949264517.db2.gz LFLQHELAIAFFMQ-ZDUSSCGKSA-N -1 1 382.432 0.477 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001575857576 949273071 /nfs/dbraw/zinc/27/30/71/949273071.db2.gz SSGGDLSILMETON-XIKOKIGWSA-N -1 1 384.444 0.876 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001575857576 949273092 /nfs/dbraw/zinc/27/30/92/949273092.db2.gz SSGGDLSILMETON-XIKOKIGWSA-N -1 1 384.444 0.876 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574452990 949280789 /nfs/dbraw/zinc/28/07/89/949280789.db2.gz URQNVRWLDKEUEK-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574452990 949280806 /nfs/dbraw/zinc/28/08/06/949280806.db2.gz URQNVRWLDKEUEK-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001574453216 949287109 /nfs/dbraw/zinc/28/71/09/949287109.db2.gz ZZGXERHXEVOTEN-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001574453216 949287126 /nfs/dbraw/zinc/28/71/26/949287126.db2.gz ZZGXERHXEVOTEN-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)cn1 ZINC001574454760 949292128 /nfs/dbraw/zinc/29/21/28/949292128.db2.gz CPSCYNAEZODCOL-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574941491 949309934 /nfs/dbraw/zinc/30/99/34/949309934.db2.gz DVNHSCRIXXCTKV-LBPRGKRZSA-N -1 1 384.448 0.841 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574941491 949309956 /nfs/dbraw/zinc/30/99/56/949309956.db2.gz DVNHSCRIXXCTKV-LBPRGKRZSA-N -1 1 384.448 0.841 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575258869 949311003 /nfs/dbraw/zinc/31/10/03/949311003.db2.gz LMDXDLSKMCSAJU-NWDGAFQWSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575258869 949311022 /nfs/dbraw/zinc/31/10/22/949311022.db2.gz LMDXDLSKMCSAJU-NWDGAFQWSA-N -1 1 386.416 0.266 20 0 GCADMM CC(C)n1cc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574455654 949312731 /nfs/dbraw/zinc/31/27/31/949312731.db2.gz ULGUYNIIBWATPC-GXTWGEPZSA-N -1 1 396.459 0.867 20 0 GCADMM CC(C)n1ccc(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457131 949315486 /nfs/dbraw/zinc/31/54/86/949315486.db2.gz AJIPHHFJLZCDEI-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457233 949318443 /nfs/dbraw/zinc/31/84/43/949318443.db2.gz CXNMCETUYPEWGK-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC001574457322 949322456 /nfs/dbraw/zinc/32/24/56/949322456.db2.gz GIVFPMQDWGHWSH-ZDUSSCGKSA-N -1 1 382.432 0.477 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574457349 949325215 /nfs/dbraw/zinc/32/52/15/949325215.db2.gz IKZNKFVDCDNWQP-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574457349 949325237 /nfs/dbraw/zinc/32/52/37/949325237.db2.gz IKZNKFVDCDNWQP-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574458155 949337443 /nfs/dbraw/zinc/33/74/43/949337443.db2.gz PWSSBVFYEICUCZ-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574458155 949337461 /nfs/dbraw/zinc/33/74/61/949337461.db2.gz PWSSBVFYEICUCZ-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCC[C@@H](C)C1 ZINC001576154407 949338083 /nfs/dbraw/zinc/33/80/83/949338083.db2.gz PAGMNEKMTNMXIZ-GRYCIOLGSA-N -1 1 375.433 0.850 20 0 GCADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCC[C@H](C)C1 ZINC001576154410 949341313 /nfs/dbraw/zinc/34/13/13/949341313.db2.gz PAGMNEKMTNMXIZ-SRVKXCTJSA-N -1 1 375.433 0.850 20 0 GCADMM CC(C)(C)C(=O)N1CCOC2(CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001573796906 949343886 /nfs/dbraw/zinc/34/38/86/949343886.db2.gz WIYIHFIOKXOAIR-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)(C)C(=O)N1CCOC2(CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001573796906 949343907 /nfs/dbraw/zinc/34/39/07/949343907.db2.gz WIYIHFIOKXOAIR-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574458823 949348771 /nfs/dbraw/zinc/34/87/71/949348771.db2.gz ZCTWOOQQLFLKHD-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574458823 949348798 /nfs/dbraw/zinc/34/87/98/949348798.db2.gz ZCTWOOQQLFLKHD-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575260121 949351300 /nfs/dbraw/zinc/35/13/00/949351300.db2.gz UWOURTWIZIMDPC-RYUDHWBXSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575260121 949351317 /nfs/dbraw/zinc/35/13/17/949351317.db2.gz UWOURTWIZIMDPC-RYUDHWBXSA-N -1 1 386.416 0.266 20 0 GCADMM CC(C)n1cccc1C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574459346 949352352 /nfs/dbraw/zinc/35/23/52/949352352.db2.gz BJDRJTUIICNJNH-UHFFFAOYSA-N -1 1 385.432 0.586 20 0 GCADMM CC(C)n1cccc1C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574459346 949352380 /nfs/dbraw/zinc/35/23/80/949352380.db2.gz BJDRJTUIICNJNH-UHFFFAOYSA-N -1 1 385.432 0.586 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575260636 949356695 /nfs/dbraw/zinc/35/66/95/949356695.db2.gz WPPJXTOLCICJOP-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575260636 949356714 /nfs/dbraw/zinc/35/67/14/949356714.db2.gz WPPJXTOLCICJOP-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)n1cccc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574459412 949357648 /nfs/dbraw/zinc/35/76/48/949357648.db2.gz FWWHTNOPXDNRMV-UHFFFAOYSA-N -1 1 385.432 0.586 20 0 GCADMM CC(C)n1cccc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574459412 949357666 /nfs/dbraw/zinc/35/76/66/949357666.db2.gz FWWHTNOPXDNRMV-UHFFFAOYSA-N -1 1 385.432 0.586 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)N(C)c2nccnc2-c2nnn[n-]2)n1 ZINC001574942642 949358382 /nfs/dbraw/zinc/35/83/82/949358382.db2.gz QEJCWENHZSSYRP-GFCCVEGCSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@@H](C)N(C)c2nccnc2-c2nn[n-]n2)n1 ZINC001574942642 949358404 /nfs/dbraw/zinc/35/84/04/949358404.db2.gz QEJCWENHZSSYRP-GFCCVEGCSA-N -1 1 384.448 0.618 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574459393 949358680 /nfs/dbraw/zinc/35/86/80/949358680.db2.gz DWRMMVNLJXLRQE-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574459393 949358702 /nfs/dbraw/zinc/35/87/02/949358702.db2.gz DWRMMVNLJXLRQE-LBPRGKRZSA-N -1 1 384.448 0.984 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cnon1 ZINC001576154824 949366964 /nfs/dbraw/zinc/36/69/64/949366964.db2.gz FMVACIAFZGGPLB-HWPZZCPQSA-N -1 1 384.404 0.252 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574460249 949374291 /nfs/dbraw/zinc/37/42/91/949374291.db2.gz SRWIBJYMQVICOP-GFCCVEGCSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574460249 949374302 /nfs/dbraw/zinc/37/43/02/949374302.db2.gz SRWIBJYMQVICOP-GFCCVEGCSA-N -1 1 385.432 0.584 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575263067 949382274 /nfs/dbraw/zinc/38/22/74/949382274.db2.gz DGZYXRPLLJEALE-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575263067 949382294 /nfs/dbraw/zinc/38/22/94/949382294.db2.gz DGZYXRPLLJEALE-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573799955 949382869 /nfs/dbraw/zinc/38/28/69/949382869.db2.gz RXYGRLHTLVRKRM-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573799955 949382894 /nfs/dbraw/zinc/38/28/94/949382894.db2.gz RXYGRLHTLVRKRM-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575528403 949401223 /nfs/dbraw/zinc/40/12/23/949401223.db2.gz VBOUEGRWOZCFOH-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575528403 949401230 /nfs/dbraw/zinc/40/12/30/949401230.db2.gz VBOUEGRWOZCFOH-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cccc1C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001574464215 949403097 /nfs/dbraw/zinc/40/30/97/949403097.db2.gz GATGXJRXGLWMCJ-UHFFFAOYSA-N -1 1 385.432 0.586 20 0 GCADMM CC(C)n1cccc1C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001574464215 949403108 /nfs/dbraw/zinc/40/31/08/949403108.db2.gz GATGXJRXGLWMCJ-UHFFFAOYSA-N -1 1 385.432 0.586 20 0 GCADMM C[C@@H](CNC(=O)Cc1n[nH]c2ccccc12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574944809 949403323 /nfs/dbraw/zinc/40/33/23/949403323.db2.gz GRMTWRGRHCFBMC-LLVKDONJSA-N -1 1 392.427 0.362 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574465032 949424959 /nfs/dbraw/zinc/42/49/59/949424959.db2.gz TZQGHZAHMITHLA-QWHCGFSZSA-N -1 1 396.459 0.867 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573802883 949429150 /nfs/dbraw/zinc/42/91/50/949429150.db2.gz KMDMLHKUCRCFCO-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573802883 949429166 /nfs/dbraw/zinc/42/91/66/949429166.db2.gz KMDMLHKUCRCFCO-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CNC(=O)Cc1cncn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574946158 949429759 /nfs/dbraw/zinc/42/97/59/949429759.db2.gz SHNPQWNEPTWQPE-ZETCQYMHSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574946328 949432875 /nfs/dbraw/zinc/43/28/75/949432875.db2.gz UYHWQGXFPNIMEF-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574946328 949432888 /nfs/dbraw/zinc/43/28/88/949432888.db2.gz UYHWQGXFPNIMEF-NSHDSACASA-N -1 1 382.432 0.349 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001575534856 949435877 /nfs/dbraw/zinc/43/58/77/949435877.db2.gz QWGZMXODKAQJAE-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001575534856 949435890 /nfs/dbraw/zinc/43/58/90/949435890.db2.gz QWGZMXODKAQJAE-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574465544 949438177 /nfs/dbraw/zinc/43/81/77/949438177.db2.gz ZZSMPZHEIHOJIC-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@@H](CNC(=O)Cc1ncc[nH]1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574946774 949439635 /nfs/dbraw/zinc/43/96/35/949439635.db2.gz YDDJQMWGLYQIJS-ZETCQYMHSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@@H](CNC(=O)Cc1ncc[nH]1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574946774 949439656 /nfs/dbraw/zinc/43/96/56/949439656.db2.gz YDDJQMWGLYQIJS-ZETCQYMHSA-N -1 1 381.853 0.883 20 0 GCADMM C[C@H](CNC(=O)Cc1cncn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574947045 949444220 /nfs/dbraw/zinc/44/42/20/949444220.db2.gz YQXPRPNOCAUHKG-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@H](CNC(=O)Cc1cncn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574947045 949444243 /nfs/dbraw/zinc/44/42/43/949444243.db2.gz YQXPRPNOCAUHKG-SSDOTTSWSA-N -1 1 381.853 0.869 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575265110 949444984 /nfs/dbraw/zinc/44/49/84/949444984.db2.gz SJOXRJUQDFMXPD-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575265110 949444997 /nfs/dbraw/zinc/44/49/97/949444997.db2.gz SJOXRJUQDFMXPD-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575868020 949447532 /nfs/dbraw/zinc/44/75/32/949447532.db2.gz KYCOKJGHRBQHRG-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575868020 949447543 /nfs/dbraw/zinc/44/75/43/949447543.db2.gz KYCOKJGHRBQHRG-CHWSQXEVSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CNC(=O)Cn1cccn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574947825 949451314 /nfs/dbraw/zinc/45/13/14/949451314.db2.gz DOIWEGPNHASOPN-MRVPVSSYSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@H](CNC(=O)Cn1cccn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574947825 949451332 /nfs/dbraw/zinc/45/13/32/949451332.db2.gz DOIWEGPNHASOPN-MRVPVSSYSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575265598 949452674 /nfs/dbraw/zinc/45/26/74/949452674.db2.gz VKBJGOLWERTNMJ-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575265598 949452684 /nfs/dbraw/zinc/45/26/84/949452684.db2.gz VKBJGOLWERTNMJ-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575265578 949454248 /nfs/dbraw/zinc/45/42/48/949454248.db2.gz UZRFSXKKESCCIS-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575265578 949454272 /nfs/dbraw/zinc/45/42/72/949454272.db2.gz UZRFSXKKESCCIS-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c1 ZINC001574468109 949459219 /nfs/dbraw/zinc/45/92/19/949459219.db2.gz JUJRJJUFNYUEMC-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001574468109 949459234 /nfs/dbraw/zinc/45/92/34/949459234.db2.gz JUJRJJUFNYUEMC-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574468494 949462039 /nfs/dbraw/zinc/46/20/39/949462039.db2.gz MGSLCIVGLKLIKO-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574468494 949462053 /nfs/dbraw/zinc/46/20/53/949462053.db2.gz MGSLCIVGLKLIKO-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ncc(C(=O)NCCN(C)c2ccnc(-c3nn[n-]n3)n2)c1Cl ZINC001574468807 949467978 /nfs/dbraw/zinc/46/79/78/949467978.db2.gz SBIFPFRFZSQOSI-UHFFFAOYSA-N -1 1 390.839 0.954 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574469121 949473668 /nfs/dbraw/zinc/47/36/68/949473668.db2.gz WWVCISHLXHLPAQ-LBPRGKRZSA-N -1 1 382.432 0.573 20 0 GCADMM CC1(C(=O)N2CC[C@@]3(C2)CN(c2cnc(-c4nnn[n-]4)cn2)CCO3)CCC1 ZINC001575536788 949474869 /nfs/dbraw/zinc/47/48/69/949474869.db2.gz LVPNCCSNCZCSIA-SFHVURJKSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CC[C@@]3(C2)CN(c2cnc(-c4nn[n-]n4)cn2)CCO3)CCC1 ZINC001575536788 949474877 /nfs/dbraw/zinc/47/48/77/949474877.db2.gz LVPNCCSNCZCSIA-SFHVURJKSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575869947 949480487 /nfs/dbraw/zinc/48/04/87/949480487.db2.gz SRXLCWMPYNKWLY-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)n1nccc1C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574469404 949482180 /nfs/dbraw/zinc/48/21/80/949482180.db2.gz CUVLAWHNRNNMPN-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574469404 949482197 /nfs/dbraw/zinc/48/21/97/949482197.db2.gz CUVLAWHNRNNMPN-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)Cn1cccn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949139 949486824 /nfs/dbraw/zinc/48/68/24/949486824.db2.gz REBRPWRGLVRHLK-MRVPVSSYSA-N -1 1 381.853 0.814 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575870286 949487045 /nfs/dbraw/zinc/48/70/45/949487045.db2.gz UHMSSIUAVORNLR-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575870286 949487051 /nfs/dbraw/zinc/48/70/51/949487051.db2.gz UHMSSIUAVORNLR-OLZOCXBDSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574118273 949488094 /nfs/dbraw/zinc/48/80/94/949488094.db2.gz DAZFCGLVPZVMLK-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574118273 949488108 /nfs/dbraw/zinc/48/81/08/949488108.db2.gz DAZFCGLVPZVMLK-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574118427 949492177 /nfs/dbraw/zinc/49/21/77/949492177.db2.gz GANSBSKJZFBWQD-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574118427 949492187 /nfs/dbraw/zinc/49/21/87/949492187.db2.gz GANSBSKJZFBWQD-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574118971 949493495 /nfs/dbraw/zinc/49/34/95/949493495.db2.gz HFQGFBFOQMMWAK-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574118971 949493509 /nfs/dbraw/zinc/49/35/09/949493509.db2.gz HFQGFBFOQMMWAK-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949400 949495983 /nfs/dbraw/zinc/49/59/83/949495983.db2.gz VRIPJGMUUVETOO-SECBINFHSA-N -1 1 376.812 0.148 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574949465 949499029 /nfs/dbraw/zinc/49/90/29/949499029.db2.gz XECUJQXFURNMHT-SECBINFHSA-N -1 1 392.374 0.077 20 0 GCADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccn[nH]1 ZINC001576158494 949499619 /nfs/dbraw/zinc/49/96/19/949499619.db2.gz TXAACAOXCHQUNB-APPDUMDISA-N -1 1 382.432 0.593 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574118990 949499694 /nfs/dbraw/zinc/49/96/94/949499694.db2.gz HHYIXIFKCLXODD-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574949641 949503428 /nfs/dbraw/zinc/50/34/28/949503428.db2.gz ZHHDQCMUPQGDJN-VIFPVBQESA-N -1 1 392.374 0.432 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574949641 949503445 /nfs/dbraw/zinc/50/34/45/949503445.db2.gz ZHHDQCMUPQGDJN-VIFPVBQESA-N -1 1 392.374 0.432 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574119963 949506154 /nfs/dbraw/zinc/50/61/54/949506154.db2.gz LXJNKGXFDFBXLF-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574119963 949506176 /nfs/dbraw/zinc/50/61/76/949506176.db2.gz LXJNKGXFDFBXLF-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574470751 949511636 /nfs/dbraw/zinc/51/16/36/949511636.db2.gz GCCWVSIELBBWKG-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574470751 949511642 /nfs/dbraw/zinc/51/16/42/949511642.db2.gz GCCWVSIELBBWKG-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574121437 949516618 /nfs/dbraw/zinc/51/66/18/949516618.db2.gz QIIDTTJAEAOXKH-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574121437 949516636 /nfs/dbraw/zinc/51/66/36/949516636.db2.gz QIIDTTJAEAOXKH-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001574471033 949520827 /nfs/dbraw/zinc/52/08/27/949520827.db2.gz YRCWERQIPDTTFS-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574471033 949520850 /nfs/dbraw/zinc/52/08/50/949520850.db2.gz YRCWERQIPDTTFS-DGCLKSJQSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871782 949521488 /nfs/dbraw/zinc/52/14/88/949521488.db2.gz CAMJGKBKTHUAPP-NWDGAFQWSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871782 949521506 /nfs/dbraw/zinc/52/15/06/949521506.db2.gz CAMJGKBKTHUAPP-NWDGAFQWSA-N -1 1 390.423 0.649 20 0 GCADMM CC1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575538675 949527627 /nfs/dbraw/zinc/52/76/27/949527627.db2.gz IOTUBFQGPGJRLR-ZDUSSCGKSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163393 949532120 /nfs/dbraw/zinc/53/21/20/949532120.db2.gz ASGNGILJACCBLN-STQMWFEESA-N -1 1 386.460 0.423 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574471881 949538056 /nfs/dbraw/zinc/53/80/56/949538056.db2.gz OKWIUHGZHWCMQN-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574471881 949538074 /nfs/dbraw/zinc/53/80/74/949538074.db2.gz OKWIUHGZHWCMQN-HIFPTAJRSA-N -1 1 382.432 0.906 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872316 949545026 /nfs/dbraw/zinc/54/50/26/949545026.db2.gz HOYNHOFCGAIVCU-VXGBXAGGSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576163955 949546817 /nfs/dbraw/zinc/54/68/17/949546817.db2.gz DOWLXXOPPPKLBM-CHWSQXEVSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574711572 949547671 /nfs/dbraw/zinc/54/76/71/949547671.db2.gz JKKPZMBBUIZWLO-NTSWFWBYSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574711572 949547689 /nfs/dbraw/zinc/54/76/89/949547689.db2.gz JKKPZMBBUIZWLO-NTSWFWBYSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574472361 949550287 /nfs/dbraw/zinc/55/02/87/949550287.db2.gz TWALKJQKNJPPBD-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574472361 949550295 /nfs/dbraw/zinc/55/02/95/949550295.db2.gz TWALKJQKNJPPBD-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711707 949553263 /nfs/dbraw/zinc/55/32/63/949553263.db2.gz KRKPVLBMNIYPAZ-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711707 949553280 /nfs/dbraw/zinc/55/32/80/949553280.db2.gz KRKPVLBMNIYPAZ-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM CC1(C(=O)N2CCC[C@H](N(CCO)c3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001575539737 949556282 /nfs/dbraw/zinc/55/62/82/949556282.db2.gz SIRUJDJMHWINLH-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM CC1(C(=O)N2CCC[C@H](N(CCO)c3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001575539737 949556310 /nfs/dbraw/zinc/55/63/10/949556310.db2.gz SIRUJDJMHWINLH-ZDUSSCGKSA-N -1 1 386.460 0.637 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575539783 949556967 /nfs/dbraw/zinc/55/69/67/949556967.db2.gz SZBXQUSJWSYUAZ-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575539783 949556978 /nfs/dbraw/zinc/55/69/78/949556978.db2.gz SZBXQUSJWSYUAZ-FHSNZYRGSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872934 949560622 /nfs/dbraw/zinc/56/06/22/949560622.db2.gz MGSSUFVZNCXWOG-NWDGAFQWSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872934 949560640 /nfs/dbraw/zinc/56/06/40/949560640.db2.gz MGSSUFVZNCXWOG-NWDGAFQWSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872938 949563841 /nfs/dbraw/zinc/56/38/41/949563841.db2.gz MGSSUFVZNCXWOG-VXGBXAGGSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872938 949563858 /nfs/dbraw/zinc/56/38/58/949563858.db2.gz MGSSUFVZNCXWOG-VXGBXAGGSA-N -1 1 388.432 0.283 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711912 949564908 /nfs/dbraw/zinc/56/49/08/949564908.db2.gz NXFMGTRPVXABPV-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711912 949564917 /nfs/dbraw/zinc/56/49/17/949564917.db2.gz NXFMGTRPVXABPV-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574473249 949568363 /nfs/dbraw/zinc/56/83/63/949568363.db2.gz ZFGWLOZOYPRUTR-CHWSQXEVSA-N -1 1 381.444 0.926 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574124388 949572425 /nfs/dbraw/zinc/57/24/25/949572425.db2.gz GEFCTKQLKHFJMW-ZDUSSCGKSA-N -1 1 390.492 0.985 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873262 949573909 /nfs/dbraw/zinc/57/39/09/949573909.db2.gz AJJVPHFEKHSQDL-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873262 949573925 /nfs/dbraw/zinc/57/39/25/949573925.db2.gz AJJVPHFEKHSQDL-CHWSQXEVSA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712704 949584417 /nfs/dbraw/zinc/58/44/17/949584417.db2.gz TUGNPFNBNAZZMF-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574475967 949584636 /nfs/dbraw/zinc/58/46/36/949584636.db2.gz DPXQRRBOKMCQBG-OLZOCXBDSA-N -1 1 390.492 0.772 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574712759 949589571 /nfs/dbraw/zinc/58/95/71/949589571.db2.gz UGGNAXNZGFFQNX-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575545256 949595664 /nfs/dbraw/zinc/59/56/64/949595664.db2.gz JQKCSRWXPYOBGL-FZKQIMNGSA-N -1 1 386.460 0.688 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574476325 949599069 /nfs/dbraw/zinc/59/90/69/949599069.db2.gz GNYMGRKNMLKCFQ-NWDGAFQWSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574476325 949599082 /nfs/dbraw/zinc/59/90/82/949599082.db2.gz GNYMGRKNMLKCFQ-NWDGAFQWSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574476328 949599443 /nfs/dbraw/zinc/59/94/43/949599443.db2.gz GNYMGRKNMLKCFQ-VXGBXAGGSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574476328 949599459 /nfs/dbraw/zinc/59/94/59/949599459.db2.gz GNYMGRKNMLKCFQ-VXGBXAGGSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713266 949600048 /nfs/dbraw/zinc/60/00/48/949600048.db2.gz WRLRKMFBJWCXRT-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713266 949600061 /nfs/dbraw/zinc/60/00/61/949600061.db2.gz WRLRKMFBJWCXRT-DGCLKSJQSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574713445 949603525 /nfs/dbraw/zinc/60/35/25/949603525.db2.gz XNMBQMNLPXJLGO-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713691 949608272 /nfs/dbraw/zinc/60/82/72/949608272.db2.gz BGHOFOXDBLAPQT-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713691 949608287 /nfs/dbraw/zinc/60/82/87/949608287.db2.gz BGHOFOXDBLAPQT-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713585 949609027 /nfs/dbraw/zinc/60/90/27/949609027.db2.gz YFCARANRLIZYKJ-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713585 949609043 /nfs/dbraw/zinc/60/90/43/949609043.db2.gz YFCARANRLIZYKJ-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713719 949609660 /nfs/dbraw/zinc/60/96/60/949609660.db2.gz BOCWWHNJLMGFPM-QWHCGFSZSA-N -1 1 381.444 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167877 949618264 /nfs/dbraw/zinc/61/82/64/949618264.db2.gz AAJRNSGLYHYUEZ-BXUZGUMPSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874788 949618844 /nfs/dbraw/zinc/61/88/44/949618844.db2.gz GYHCSLAXDWXRKC-AAEUAGOBSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874788 949618864 /nfs/dbraw/zinc/61/88/64/949618864.db2.gz GYHCSLAXDWXRKC-AAEUAGOBSA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001574476837 949624170 /nfs/dbraw/zinc/62/41/70/949624170.db2.gz HZDXAQZAUCLPLV-GXTWGEPZSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001574476837 949624181 /nfs/dbraw/zinc/62/41/81/949624181.db2.gz HZDXAQZAUCLPLV-GXTWGEPZSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574476857 949626268 /nfs/dbraw/zinc/62/62/68/949626268.db2.gz IEQGJJWVDCCPCP-GFCCVEGCSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574476857 949626285 /nfs/dbraw/zinc/62/62/85/949626285.db2.gz IEQGJJWVDCCPCP-GFCCVEGCSA-N -1 1 386.416 0.676 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574129030 949632317 /nfs/dbraw/zinc/63/23/17/949632317.db2.gz PWXJREKEBDLOLQ-LBPRGKRZSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574129030 949632326 /nfs/dbraw/zinc/63/23/26/949632326.db2.gz PWXJREKEBDLOLQ-LBPRGKRZSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001574129267 949636298 /nfs/dbraw/zinc/63/62/98/949636298.db2.gz RZOXICZDCKJVIV-TZMCWYRMSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574129267 949636313 /nfs/dbraw/zinc/63/63/13/949636313.db2.gz RZOXICZDCKJVIV-TZMCWYRMSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H](C)NC(=O)CCCC(N)=O ZINC001575272143 949636861 /nfs/dbraw/zinc/63/68/61/949636861.db2.gz NZNTVEIIUUNIJK-NKWVEPMBSA-N -1 1 386.869 0.937 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876618 949646073 /nfs/dbraw/zinc/64/60/73/949646073.db2.gz JXOOHRKSWVYXNT-YPMHNXCESA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876618 949646095 /nfs/dbraw/zinc/64/60/95/949646095.db2.gz JXOOHRKSWVYXNT-YPMHNXCESA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876614 949646127 /nfs/dbraw/zinc/64/61/27/949646127.db2.gz JXOOHRKSWVYXNT-AAEUAGOBSA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876614 949646141 /nfs/dbraw/zinc/64/61/41/949646141.db2.gz JXOOHRKSWVYXNT-AAEUAGOBSA-N -1 1 383.416 0.751 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cccn1 ZINC001573815121 949646382 /nfs/dbraw/zinc/64/63/82/949646382.db2.gz GKSOFHVUZKXLLJ-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cccn1 ZINC001573815121 949646395 /nfs/dbraw/zinc/64/63/95/949646395.db2.gz GKSOFHVUZKXLLJ-ZDUSSCGKSA-N -1 1 384.448 0.886 20 0 GCADMM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)NC(N)=O ZINC001574477235 949648456 /nfs/dbraw/zinc/64/84/56/949648456.db2.gz PHCWNGOFJAUMEB-JTQLQIEISA-N -1 1 390.452 0.000 20 0 GCADMM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)NC(N)=O ZINC001574477235 949648467 /nfs/dbraw/zinc/64/84/67/949648467.db2.gz PHCWNGOFJAUMEB-JTQLQIEISA-N -1 1 390.452 0.000 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715607 949655202 /nfs/dbraw/zinc/65/52/02/949655202.db2.gz JKERSAIRZWCHJY-OLZOCXBDSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272975 949656602 /nfs/dbraw/zinc/65/66/02/949656602.db2.gz TVZILJDZPBGBIC-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272975 949656611 /nfs/dbraw/zinc/65/66/11/949656611.db2.gz TVZILJDZPBGBIC-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169019 949658180 /nfs/dbraw/zinc/65/81/80/949658180.db2.gz DOHNULNWFJZDCV-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169019 949658189 /nfs/dbraw/zinc/65/81/89/949658189.db2.gz DOHNULNWFJZDCV-RISCZKNCSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575548174 949660329 /nfs/dbraw/zinc/66/03/29/949660329.db2.gz SXHSXTZNPJIBDW-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@]1(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575548174 949660342 /nfs/dbraw/zinc/66/03/42/949660342.db2.gz SXHSXTZNPJIBDW-PXAZEXFGSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001576169166 949666921 /nfs/dbraw/zinc/66/69/21/949666921.db2.gz FSPLFYLUSRGYOR-NSHDSACASA-N -1 1 398.514 0.996 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574131863 949671690 /nfs/dbraw/zinc/67/16/90/949671690.db2.gz MYLLGUSEHKHUQJ-GOSISDBHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574131863 949671705 /nfs/dbraw/zinc/67/17/05/949671705.db2.gz MYLLGUSEHKHUQJ-GOSISDBHSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169263 949672889 /nfs/dbraw/zinc/67/28/89/949672889.db2.gz GBVPKYMSNFDNID-CMPLNLGQSA-N -1 1 383.420 0.057 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCCOC1 ZINC001575552142 949673373 /nfs/dbraw/zinc/67/33/73/949673373.db2.gz AEUGQEDANCVYKV-JCGVRSQUSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575878247 949676672 /nfs/dbraw/zinc/67/66/72/949676672.db2.gz ODRFQUCXAJISML-YPMHNXCESA-N -1 1 382.432 0.486 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575878247 949676683 /nfs/dbraw/zinc/67/66/83/949676683.db2.gz ODRFQUCXAJISML-YPMHNXCESA-N -1 1 382.432 0.486 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CO[C@H]1CCOC1 ZINC001573816318 949676931 /nfs/dbraw/zinc/67/69/31/949676931.db2.gz QEZLJUFQCNJJMO-WCQYABFASA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CO[C@H]1CCOC1 ZINC001573816318 949676944 /nfs/dbraw/zinc/67/69/44/949676944.db2.gz QEZLJUFQCNJJMO-WCQYABFASA-N -1 1 390.448 0.405 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575878807 949681799 /nfs/dbraw/zinc/68/17/99/949681799.db2.gz PGKWKHJAHGJGJM-WCQYABFASA-N -1 1 383.416 0.751 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574477912 949682425 /nfs/dbraw/zinc/68/24/25/949682425.db2.gz WHQVYHQAQBNBKN-IUCAKERBSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574477912 949682440 /nfs/dbraw/zinc/68/24/40/949682440.db2.gz WHQVYHQAQBNBKN-IUCAKERBSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001574477906 949683668 /nfs/dbraw/zinc/68/36/68/949683668.db2.gz SSEHCIGSWIPLMV-OCCSQVGLSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001574477906 949683682 /nfs/dbraw/zinc/68/36/82/949683682.db2.gz SSEHCIGSWIPLMV-OCCSQVGLSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001574477905 949685710 /nfs/dbraw/zinc/68/57/10/949685710.db2.gz SSEHCIGSWIPLMV-JSGCOSHPSA-N -1 1 390.448 0.095 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001574477905 949685720 /nfs/dbraw/zinc/68/57/20/949685720.db2.gz SSEHCIGSWIPLMV-JSGCOSHPSA-N -1 1 390.448 0.095 20 0 GCADMM CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575552956 949690037 /nfs/dbraw/zinc/69/00/37/949690037.db2.gz LHSKTVVGDYKMLD-RKDXNWHRSA-N -1 1 382.350 0.680 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnc[nH]c1=O ZINC001573817096 949694440 /nfs/dbraw/zinc/69/44/40/949694440.db2.gz XBJWEAZKNVGOTO-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575555271 949702906 /nfs/dbraw/zinc/70/29/06/949702906.db2.gz YMKAEMFIBFYSHJ-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575555271 949702926 /nfs/dbraw/zinc/70/29/26/949702926.db2.gz YMKAEMFIBFYSHJ-UWVGGRQHSA-N -1 1 376.371 0.882 20 0 GCADMM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880584 949703150 /nfs/dbraw/zinc/70/31/50/949703150.db2.gz UPFBCHZWORQXDF-UWVGGRQHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170052 949706078 /nfs/dbraw/zinc/70/60/78/949706078.db2.gz IWXUSKKNLZKTFI-STQMWFEESA-N -1 1 388.476 0.933 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573818039 949714657 /nfs/dbraw/zinc/71/46/57/949714657.db2.gz FIBKNOOMKAUSMZ-CMPLNLGQSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573818039 949714664 /nfs/dbraw/zinc/71/46/64/949714664.db2.gz FIBKNOOMKAUSMZ-CMPLNLGQSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574959809 949718626 /nfs/dbraw/zinc/71/86/26/949718626.db2.gz UJTHJYBSTNOLTM-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574959809 949718644 /nfs/dbraw/zinc/71/86/44/949718644.db2.gz UJTHJYBSTNOLTM-FPMFFAJLSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575881474 949723190 /nfs/dbraw/zinc/72/31/90/949723190.db2.gz YJJCRWMYGKRVHF-VHSXEESVSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575881474 949723203 /nfs/dbraw/zinc/72/32/03/949723203.db2.gz YJJCRWMYGKRVHF-VHSXEESVSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574960791 949729219 /nfs/dbraw/zinc/72/92/19/949729219.db2.gz XSZFMOOQHHDHQU-WCFLWFBJSA-N -1 1 382.432 0.135 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cscn1 ZINC001573818690 949741185 /nfs/dbraw/zinc/74/11/85/949741185.db2.gz OEWGSIXGNWWQIB-NSHDSACASA-N -1 1 387.473 0.721 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881942 949741571 /nfs/dbraw/zinc/74/15/71/949741571.db2.gz DHFKMXKUGGMTJJ-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881942 949741588 /nfs/dbraw/zinc/74/15/88/949741588.db2.gz DHFKMXKUGGMTJJ-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576170837 949742352 /nfs/dbraw/zinc/74/23/52/949742352.db2.gz NQCJOJNOFJQPTI-VXGBXAGGSA-N -1 1 375.433 0.852 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170991 949743438 /nfs/dbraw/zinc/74/34/38/949743438.db2.gz OMKYRVAIHCQDMX-OCCSQVGLSA-N -1 1 382.432 0.592 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CN1CCCC1=O ZINC001573818962 949746193 /nfs/dbraw/zinc/74/61/93/949746193.db2.gz PRINOEXKUZELIE-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CN1CCCC1=O ZINC001573818962 949746213 /nfs/dbraw/zinc/74/62/13/949746213.db2.gz PRINOEXKUZELIE-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575558879 949747573 /nfs/dbraw/zinc/74/75/73/949747573.db2.gz SWGJBTKGRLDMDU-SNVBAGLBSA-N -1 1 378.387 0.821 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573819783 949757761 /nfs/dbraw/zinc/75/77/61/949757761.db2.gz VDNCSLXXWDEEFP-CMPLNLGQSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573819783 949757777 /nfs/dbraw/zinc/75/77/77/949757777.db2.gz VDNCSLXXWDEEFP-CMPLNLGQSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882296 949762792 /nfs/dbraw/zinc/76/27/92/949762792.db2.gz ILMQHANWZOLQCO-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H](CC(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574481013 949763320 /nfs/dbraw/zinc/76/33/20/949763320.db2.gz MCLDHDVIWPUYQV-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CC(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574481013 949763335 /nfs/dbraw/zinc/76/33/35/949763335.db2.gz MCLDHDVIWPUYQV-GFCCVEGCSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCCOC1 ZINC001575559882 949766079 /nfs/dbraw/zinc/76/60/79/949766079.db2.gz YUWQVGNYUSCZEN-BIENJYKASA-N -1 1 398.471 0.758 20 0 GCADMM C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574481171 949769784 /nfs/dbraw/zinc/76/97/84/949769784.db2.gz MZECCBOCQNBBII-ZDUSSCGKSA-N -1 1 381.444 0.934 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574481370 949771683 /nfs/dbraw/zinc/77/16/83/949771683.db2.gz OXGNAKHROQBTFU-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574481370 949771698 /nfs/dbraw/zinc/77/16/98/949771698.db2.gz OXGNAKHROQBTFU-QWHCGFSZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574481383 949776768 /nfs/dbraw/zinc/77/67/68/949776768.db2.gz PAMFORQMTGTWTD-ZIAGYGMSSA-N -1 1 381.444 0.792 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576171811 949779979 /nfs/dbraw/zinc/77/99/79/949779979.db2.gz SRBRVRKJJBUJII-ZYHUDNBSSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576171811 949779990 /nfs/dbraw/zinc/77/99/90/949779990.db2.gz SRBRVRKJJBUJII-ZYHUDNBSSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171782 949780897 /nfs/dbraw/zinc/78/08/97/949780897.db2.gz SEGFLIWSLDAZMT-OCCSQVGLSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171782 949780914 /nfs/dbraw/zinc/78/09/14/949780914.db2.gz SEGFLIWSLDAZMT-OCCSQVGLSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575279779 949788001 /nfs/dbraw/zinc/78/80/01/949788001.db2.gz ZTJOPDWLQOYZFJ-WDEREUQCSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575279779 949788013 /nfs/dbraw/zinc/78/80/13/949788013.db2.gz ZTJOPDWLQOYZFJ-WDEREUQCSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575279776 949789117 /nfs/dbraw/zinc/78/91/17/949789117.db2.gz ZTJOPDWLQOYZFJ-GHMZBOCLSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575279776 949789129 /nfs/dbraw/zinc/78/91/29/949789129.db2.gz ZTJOPDWLQOYZFJ-GHMZBOCLSA-N -1 1 383.416 0.695 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccnn1 ZINC001573822419 949790987 /nfs/dbraw/zinc/79/09/87/949790987.db2.gz IYPMTJBBSMKRTM-LLVKDONJSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccnn1 ZINC001573822419 949790994 /nfs/dbraw/zinc/79/09/94/949790994.db2.gz IYPMTJBBSMKRTM-LLVKDONJSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172088 949791147 /nfs/dbraw/zinc/79/11/47/949791147.db2.gz UPXFFHVXCSPKBX-HCBXJVOMSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172088 949791152 /nfs/dbraw/zinc/79/11/52/949791152.db2.gz UPXFFHVXCSPKBX-HCBXJVOMSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172090 949792464 /nfs/dbraw/zinc/79/24/64/949792464.db2.gz UPXFFHVXCSPKBX-KGBXLTSLSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172090 949792497 /nfs/dbraw/zinc/79/24/97/949792497.db2.gz UPXFFHVXCSPKBX-KGBXLTSLSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574965328 949794387 /nfs/dbraw/zinc/79/43/87/949794387.db2.gz FUEPQHCAAUMQBB-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574965328 949794404 /nfs/dbraw/zinc/79/44/04/949794404.db2.gz FUEPQHCAAUMQBB-LURJTMIESA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172138 949795677 /nfs/dbraw/zinc/79/56/77/949795677.db2.gz VOOLMGJHXQGHOU-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574965447 949802607 /nfs/dbraw/zinc/80/26/07/949802607.db2.gz FYGQWRZENBHHJA-XVMARJQXSA-N -1 1 384.853 0.262 20 0 GCADMM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574965447 949802629 /nfs/dbraw/zinc/80/26/29/949802629.db2.gz FYGQWRZENBHHJA-XVMARJQXSA-N -1 1 384.853 0.262 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172404 949808994 /nfs/dbraw/zinc/80/89/94/949808994.db2.gz WRLHEOLVBIVFQD-YPMHNXCESA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172404 949809018 /nfs/dbraw/zinc/80/90/18/949809018.db2.gz WRLHEOLVBIVFQD-YPMHNXCESA-N -1 1 387.448 0.351 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281312 949809709 /nfs/dbraw/zinc/80/97/09/949809709.db2.gz FOEPFRDLUATGRF-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281312 949809734 /nfs/dbraw/zinc/80/97/34/949809734.db2.gz FOEPFRDLUATGRF-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM CC(C)(C)[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(F)(F)F ZINC001573823179 949814322 /nfs/dbraw/zinc/81/43/22/949814322.db2.gz QQOQRQAVSNBCKI-JTQLQIEISA-N -1 1 375.311 0.222 20 0 GCADMM C[C@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574965773 949815636 /nfs/dbraw/zinc/81/56/36/949815636.db2.gz LQKCXBDSYAABQT-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM C[C@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574965773 949815643 /nfs/dbraw/zinc/81/56/43/949815643.db2.gz LQKCXBDSYAABQT-ZCFIWIBFSA-N -1 1 382.310 0.629 20 0 GCADMM CC(C)(C)[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(F)(F)F ZINC001573823180 949815579 /nfs/dbraw/zinc/81/55/79/949815579.db2.gz QQOQRQAVSNBCKI-SNVBAGLBSA-N -1 1 375.311 0.222 20 0 GCADMM C[C@H]1CCCC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576172700 949817911 /nfs/dbraw/zinc/81/79/11/949817911.db2.gz VLYQNXXUWLJUKD-QWRGUYRKSA-N -1 1 388.432 0.522 20 0 GCADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575561899 949818208 /nfs/dbraw/zinc/81/82/08/949818208.db2.gz DKJJBAJNRNLNFE-QWHCGFSZSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574482049 949822047 /nfs/dbraw/zinc/82/20/47/949822047.db2.gz ZTFXLLGXQAEOGV-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574482049 949822070 /nfs/dbraw/zinc/82/20/70/949822070.db2.gz ZTFXLLGXQAEOGV-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574965960 949826365 /nfs/dbraw/zinc/82/63/65/949826365.db2.gz PYCSDXVQAIRCLK-QYNIQEEDSA-N -1 1 384.853 0.262 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573823492 949834473 /nfs/dbraw/zinc/83/44/73/949834473.db2.gz XSAYUOZPXWRSKS-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573823492 949834497 /nfs/dbraw/zinc/83/44/97/949834497.db2.gz XSAYUOZPXWRSKS-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574722872 949848146 /nfs/dbraw/zinc/84/81/46/949848146.db2.gz XJODEDGUYNQQPD-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574722872 949848170 /nfs/dbraw/zinc/84/81/70/949848170.db2.gz XJODEDGUYNQQPD-ZCFIWIBFSA-N -1 1 387.857 0.294 20 0 GCADMM CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574142189 949859657 /nfs/dbraw/zinc/85/96/57/949859657.db2.gz XALQNUBALIVDGZ-UGSOOPFHSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O)C1 ZINC001573825175 949861535 /nfs/dbraw/zinc/86/15/35/949861535.db2.gz LLLSZJOZWNFJRU-TUUUFIMRSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccncc1 ZINC001574484063 949861813 /nfs/dbraw/zinc/86/18/13/949861813.db2.gz SLYGRYNYGLUKSH-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccncc1 ZINC001574484063 949861835 /nfs/dbraw/zinc/86/18/35/949861835.db2.gz SLYGRYNYGLUKSH-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177883 949867717 /nfs/dbraw/zinc/86/77/17/949867717.db2.gz CWWJTCLAPMCUFA-GXSJLCMTSA-N -1 1 386.445 0.283 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177997 949871583 /nfs/dbraw/zinc/87/15/83/949871583.db2.gz AITMVEFHYBWSNW-AAEUAGOBSA-N -1 1 380.416 0.221 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178013 949874345 /nfs/dbraw/zinc/87/43/45/949874345.db2.gz AMJYELFXAQJVCZ-DGCLKSJQSA-N -1 1 383.416 0.810 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574724703 949878607 /nfs/dbraw/zinc/87/86/07/949878607.db2.gz JOUPRXRZIDKMDX-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM C[C@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574724703 949878629 /nfs/dbraw/zinc/87/86/29/949878629.db2.gz JOUPRXRZIDKMDX-SNVBAGLBSA-N -1 1 390.839 0.856 20 0 GCADMM CC(C)(C)C1CC(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573825432 949879860 /nfs/dbraw/zinc/87/98/60/949879860.db2.gz VNZNSTTVYKCDKV-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM CC(C)(C)C1CC(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573825432 949879885 /nfs/dbraw/zinc/87/98/85/949879885.db2.gz VNZNSTTVYKCDKV-UHFFFAOYSA-N -1 1 388.476 0.962 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575886319 949881417 /nfs/dbraw/zinc/88/14/17/949881417.db2.gz XVJRDQWDJXNPHA-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574484508 949882422 /nfs/dbraw/zinc/88/24/22/949882422.db2.gz IPFCTOONVGRNPP-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574484508 949882446 /nfs/dbraw/zinc/88/24/46/949882446.db2.gz IPFCTOONVGRNPP-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178255 949884184 /nfs/dbraw/zinc/88/41/84/949884184.db2.gz GWYGUVJCZKYMTK-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178255 949884207 /nfs/dbraw/zinc/88/42/07/949884207.db2.gz GWYGUVJCZKYMTK-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178475 949885781 /nfs/dbraw/zinc/88/57/81/949885781.db2.gz BQCIGTOTCAQJMP-GXFFZTMASA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178475 949885800 /nfs/dbraw/zinc/88/58/00/949885800.db2.gz BQCIGTOTCAQJMP-GXFFZTMASA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001574484582 949886975 /nfs/dbraw/zinc/88/69/75/949886975.db2.gz KHBYKHWJVMSUPV-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001574484582 949886994 /nfs/dbraw/zinc/88/69/94/949886994.db2.gz KHBYKHWJVMSUPV-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574484594 949887520 /nfs/dbraw/zinc/88/75/20/949887520.db2.gz KLNDBESGJDRIDD-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575284005 949890347 /nfs/dbraw/zinc/89/03/47/949890347.db2.gz SLFDSXTUWDIGPO-QWRGUYRKSA-N -1 1 386.391 0.602 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574484658 949895089 /nfs/dbraw/zinc/89/50/89/949895089.db2.gz LLIMGBDLCRBXQL-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574484658 949895115 /nfs/dbraw/zinc/89/51/15/949895115.db2.gz LLIMGBDLCRBXQL-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574484722 949896601 /nfs/dbraw/zinc/89/66/01/949896601.db2.gz MOXFPVFHECSIBR-OLZOCXBDSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574484724 949896887 /nfs/dbraw/zinc/89/68/87/949896887.db2.gz MOXFPVFHECSIBR-STQMWFEESA-N -1 1 382.432 0.329 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574484751 949896949 /nfs/dbraw/zinc/89/69/49/949896949.db2.gz NNSCBRAMQCUDJO-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574484751 949896968 /nfs/dbraw/zinc/89/69/68/949896968.db2.gz NNSCBRAMQCUDJO-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284244 949900544 /nfs/dbraw/zinc/90/05/44/949900544.db2.gz SUKNHIQSVGYDHN-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284244 949900557 /nfs/dbraw/zinc/90/05/57/949900557.db2.gz SUKNHIQSVGYDHN-VXGBXAGGSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574484723 949900642 /nfs/dbraw/zinc/90/06/42/949900642.db2.gz MOXFPVFHECSIBR-QWHCGFSZSA-N -1 1 382.432 0.329 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001576178844 949902413 /nfs/dbraw/zinc/90/24/13/949902413.db2.gz CXECAASOYFDRFW-JOYOIKCWSA-N -1 1 386.420 0.049 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574484829 949903538 /nfs/dbraw/zinc/90/35/38/949903538.db2.gz PEXIJVXJADBJAT-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574484829 949903560 /nfs/dbraw/zinc/90/35/60/949903560.db2.gz PEXIJVXJADBJAT-QWHCGFSZSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574484828 949904237 /nfs/dbraw/zinc/90/42/37/949904237.db2.gz PEXIJVXJADBJAT-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574484828 949904252 /nfs/dbraw/zinc/90/42/52/949904252.db2.gz PEXIJVXJADBJAT-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179018 949906843 /nfs/dbraw/zinc/90/68/43/949906843.db2.gz DIIUSRAVCIFNAD-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179018 949906857 /nfs/dbraw/zinc/90/68/57/949906857.db2.gz DIIUSRAVCIFNAD-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179022 949908810 /nfs/dbraw/zinc/90/88/10/949908810.db2.gz DIIUSRAVCIFNAD-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179022 949908833 /nfs/dbraw/zinc/90/88/33/949908833.db2.gz DIIUSRAVCIFNAD-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574144518 949910781 /nfs/dbraw/zinc/91/07/81/949910781.db2.gz OIXKXBTXIAJTGO-KGLIPLIRSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574968831 949911806 /nfs/dbraw/zinc/91/18/06/949911806.db2.gz TXKXIAVEWVYYMI-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574968831 949911823 /nfs/dbraw/zinc/91/18/23/949911823.db2.gz TXKXIAVEWVYYMI-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575284838 949921267 /nfs/dbraw/zinc/92/12/67/949921267.db2.gz WWLBPJXUPAYWPE-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575284838 949921284 /nfs/dbraw/zinc/92/12/84/949921284.db2.gz WWLBPJXUPAYWPE-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575284888 949922135 /nfs/dbraw/zinc/92/21/35/949922135.db2.gz XACHTYUZNSBYQR-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575284888 949922154 /nfs/dbraw/zinc/92/21/54/949922154.db2.gz XACHTYUZNSBYQR-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179722 949923821 /nfs/dbraw/zinc/92/38/21/949923821.db2.gz BWJRWAHCZQZXJH-JSGCOSHPSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179722 949923839 /nfs/dbraw/zinc/92/38/39/949923839.db2.gz BWJRWAHCZQZXJH-JSGCOSHPSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576179697 949924353 /nfs/dbraw/zinc/92/43/53/949924353.db2.gz BVQOHCPVYPQDBN-OCCSQVGLSA-N -1 1 382.428 0.811 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)N(C)CCNc3ccc(-c4nnn[n-]4)nn3)n21 ZINC001576179893 949929683 /nfs/dbraw/zinc/92/96/83/949929683.db2.gz MOFJJRBXKUVQHA-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@@H]1CCCc2ncc(C(=O)N(C)CCNc3ccc(-c4nn[n-]n4)nn3)n21 ZINC001576179893 949929700 /nfs/dbraw/zinc/92/97/00/949929700.db2.gz MOFJJRBXKUVQHA-LLVKDONJSA-N -1 1 382.432 0.935 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)CCCCC1 ZINC001575570175 949933198 /nfs/dbraw/zinc/93/31/98/949933198.db2.gz PYZUCAQMOZSPIM-OCCSQVGLSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)CCCCC1 ZINC001575570175 949933217 /nfs/dbraw/zinc/93/32/17/949933217.db2.gz PYZUCAQMOZSPIM-OCCSQVGLSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2O)CCCCC1 ZINC001575570173 949933261 /nfs/dbraw/zinc/93/32/61/949933261.db2.gz PYZUCAQMOZSPIM-JSGCOSHPSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2O)CCCCC1 ZINC001575570173 949933275 /nfs/dbraw/zinc/93/32/75/949933275.db2.gz PYZUCAQMOZSPIM-JSGCOSHPSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574487700 949934980 /nfs/dbraw/zinc/93/49/80/949934980.db2.gz BFAPRRXSOZAZOV-FRRDWIJNSA-N -1 1 382.432 0.185 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180013 949935004 /nfs/dbraw/zinc/93/50/04/949935004.db2.gz GQSDHZOIJSJXID-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180013 949935020 /nfs/dbraw/zinc/93/50/20/949935020.db2.gz GQSDHZOIJSJXID-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)(C)/C=C/C(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573828355 949935536 /nfs/dbraw/zinc/93/55/36/949935536.db2.gz RPQWXOFLHFXXHQ-GQCTYLIASA-N -1 1 386.460 0.446 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180045 949935897 /nfs/dbraw/zinc/93/58/97/949935897.db2.gz GTDMFPQHUPQRFQ-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180045 949935910 /nfs/dbraw/zinc/93/59/10/949935910.db2.gz GTDMFPQHUPQRFQ-ZYHUDNBSSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575889798 949936646 /nfs/dbraw/zinc/93/66/46/949936646.db2.gz TYPGLKIQQSHSGF-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575889798 949936662 /nfs/dbraw/zinc/93/66/62/949936662.db2.gz TYPGLKIQQSHSGF-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574488071 949943493 /nfs/dbraw/zinc/94/34/93/949943493.db2.gz DBJYVHUNYKFJLO-OCCSQVGLSA-N -1 1 381.444 0.838 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180387 949948643 /nfs/dbraw/zinc/94/86/43/949948643.db2.gz HMKJFAUERTVJOU-ZWNOBZJWSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180387 949948657 /nfs/dbraw/zinc/94/86/57/949948657.db2.gz HMKJFAUERTVJOU-ZWNOBZJWSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180384 949951355 /nfs/dbraw/zinc/95/13/55/949951355.db2.gz HMKJFAUERTVJOU-GWCFXTLKSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180384 949951373 /nfs/dbraw/zinc/95/13/73/949951373.db2.gz HMKJFAUERTVJOU-GWCFXTLKSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285634 949951364 /nfs/dbraw/zinc/95/13/64/949951364.db2.gz PLVIFPXQDQQUQT-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285634 949951384 /nfs/dbraw/zinc/95/13/84/949951384.db2.gz PLVIFPXQDQQUQT-NXEZZACHSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574488447 949952188 /nfs/dbraw/zinc/95/21/88/949952188.db2.gz GHLBQSLXSNIYOP-KXUCPTDWSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180541 949961456 /nfs/dbraw/zinc/96/14/56/949961456.db2.gz FBBKCRQTGBXBTF-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180541 949961470 /nfs/dbraw/zinc/96/14/70/949961470.db2.gz FBBKCRQTGBXBTF-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM CC(C)(C)[C@H]1CCN(C(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCO1 ZINC001573829531 949961935 /nfs/dbraw/zinc/96/19/35/949961935.db2.gz ZYSHAHGKMCVNOM-GFCCVEGCSA-N -1 1 391.432 0.183 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285839 949964811 /nfs/dbraw/zinc/96/48/11/949964811.db2.gz RJIKGASIUTVSHJ-VXGBXAGGSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285839 949964831 /nfs/dbraw/zinc/96/48/31/949964831.db2.gz RJIKGASIUTVSHJ-VXGBXAGGSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1cccnc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727455 949965908 /nfs/dbraw/zinc/96/59/08/949965908.db2.gz TUCIXENXHHIGSH-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CN(C)C(=O)COCc1cccnc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727455 949965930 /nfs/dbraw/zinc/96/59/30/949965930.db2.gz TUCIXENXHHIGSH-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180601 949966808 /nfs/dbraw/zinc/96/68/08/949966808.db2.gz FLHLQCMBKAPNFB-VXGBXAGGSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180601 949966826 /nfs/dbraw/zinc/96/68/26/949966826.db2.gz FLHLQCMBKAPNFB-VXGBXAGGSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574727585 949968748 /nfs/dbraw/zinc/96/87/48/949968748.db2.gz VTRLERYYKQCKLI-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574727585 949968762 /nfs/dbraw/zinc/96/87/62/949968762.db2.gz VTRLERYYKQCKLI-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccn1 ZINC001574489726 949968819 /nfs/dbraw/zinc/96/88/19/949968819.db2.gz LLKNGKWDXIUVGM-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccn1 ZINC001574489726 949968838 /nfs/dbraw/zinc/96/88/38/949968838.db2.gz LLKNGKWDXIUVGM-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727563 949971359 /nfs/dbraw/zinc/97/13/59/949971359.db2.gz VIQGCWSIGGQKCH-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727563 949971376 /nfs/dbraw/zinc/97/13/76/949971376.db2.gz VIQGCWSIGGQKCH-NWDGAFQWSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574727584 949972428 /nfs/dbraw/zinc/97/24/28/949972428.db2.gz VTRLERYYKQCKLI-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574727584 949972455 /nfs/dbraw/zinc/97/24/55/949972455.db2.gz VTRLERYYKQCKLI-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180927 949979388 /nfs/dbraw/zinc/97/93/88/949979388.db2.gz GBULJVXQXIUHOD-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180927 949979407 /nfs/dbraw/zinc/97/94/07/949979407.db2.gz GBULJVXQXIUHOD-JSGCOSHPSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574490025 949981511 /nfs/dbraw/zinc/98/15/11/949981511.db2.gz NEOXIVXWHBDWHB-RDBSUJKOSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891084 949985593 /nfs/dbraw/zinc/98/55/93/949985593.db2.gz DVEYTOBMPDVRDZ-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891084 949985615 /nfs/dbraw/zinc/98/56/15/949985615.db2.gz DVEYTOBMPDVRDZ-MNOVXSKESA-N -1 1 381.400 0.545 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575572982 949986544 /nfs/dbraw/zinc/98/65/44/949986544.db2.gz KASONOQYTSNORJ-SCLBCKFNSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)[C@]1(C)CCCOC1 ZINC001575572982 949986562 /nfs/dbraw/zinc/98/65/62/949986562.db2.gz KASONOQYTSNORJ-SCLBCKFNSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181327 949997001 /nfs/dbraw/zinc/99/70/01/949997001.db2.gz LTTWYBXPYAPWMQ-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181327 949997017 /nfs/dbraw/zinc/99/70/17/949997017.db2.gz LTTWYBXPYAPWMQ-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574490516 950004546 /nfs/dbraw/zinc/00/45/46/950004546.db2.gz UANYPZSNACJXRC-AVGNSLFASA-N -1 1 380.416 0.294 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574490516 950004572 /nfs/dbraw/zinc/00/45/72/950004572.db2.gz UANYPZSNACJXRC-AVGNSLFASA-N -1 1 380.416 0.294 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573833684 950006674 /nfs/dbraw/zinc/00/66/74/950006674.db2.gz BTMWOPIILVMIHA-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573833684 950006698 /nfs/dbraw/zinc/00/66/98/950006698.db2.gz BTMWOPIILVMIHA-NSHDSACASA-N -1 1 387.448 0.222 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891520 950011620 /nfs/dbraw/zinc/01/16/20/950011620.db2.gz KSWQHCNBZMDESQ-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181783 950020778 /nfs/dbraw/zinc/02/07/78/950020778.db2.gz MQJXVNGNCHWJDM-JSGCOSHPSA-N -1 1 381.444 0.770 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181833 950021431 /nfs/dbraw/zinc/02/14/31/950021431.db2.gz MUVLGPRVQBFQFH-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181833 950021450 /nfs/dbraw/zinc/02/14/50/950021450.db2.gz MUVLGPRVQBFQFH-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182094 950036634 /nfs/dbraw/zinc/03/66/34/950036634.db2.gz XYYNULNADPIGSY-JOYOIKCWSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182094 950036657 /nfs/dbraw/zinc/03/66/57/950036657.db2.gz XYYNULNADPIGSY-JOYOIKCWSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574491379 950036809 /nfs/dbraw/zinc/03/68/09/950036809.db2.gz CDMSLFMTPLXZAG-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574491379 950036834 /nfs/dbraw/zinc/03/68/34/950036834.db2.gz CDMSLFMTPLXZAG-PNESKVBLSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182208 950039258 /nfs/dbraw/zinc/03/92/58/950039258.db2.gz NPCLNGMOPFPRTC-JSGCOSHPSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)CCC(=O)NC1 ZINC001575575121 950041172 /nfs/dbraw/zinc/04/11/72/950041172.db2.gz FEEUTXAEHUMTEQ-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)CCC(=O)NC1 ZINC001575575121 950041194 /nfs/dbraw/zinc/04/11/94/950041194.db2.gz FEEUTXAEHUMTEQ-INIZCTEOSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC001575575403 950049154 /nfs/dbraw/zinc/04/91/54/950049154.db2.gz ISRNWWYJPIHGSP-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@]1(C(=O)NC[C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC001575575403 950049174 /nfs/dbraw/zinc/04/91/74/950049174.db2.gz ISRNWWYJPIHGSP-FUXBKTLASA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892210 950059075 /nfs/dbraw/zinc/05/90/75/950059075.db2.gz UKADWKSLSJFDLI-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892210 950059096 /nfs/dbraw/zinc/05/90/96/950059096.db2.gz UKADWKSLSJFDLI-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574731590 950059345 /nfs/dbraw/zinc/05/93/45/950059345.db2.gz XVPVCHMEASWRNE-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM CC(C)n1ccc(CC(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574731590 950059361 /nfs/dbraw/zinc/05/93/61/950059361.db2.gz XVPVCHMEASWRNE-GFCCVEGCSA-N -1 1 384.448 0.936 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182595 950062647 /nfs/dbraw/zinc/06/26/47/950062647.db2.gz ORSNZGKOCAEHEG-RYUDHWBXSA-N -1 1 382.432 0.165 20 0 GCADMM C[C@H](CC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574492104 950063247 /nfs/dbraw/zinc/06/32/47/950063247.db2.gz JFTTVGYFUHOBNS-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574492104 950063269 /nfs/dbraw/zinc/06/32/69/950063269.db2.gz JFTTVGYFUHOBNS-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001574492161 950067695 /nfs/dbraw/zinc/06/76/95/950067695.db2.gz KAFTVTQQIISMMV-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574492161 950067707 /nfs/dbraw/zinc/06/77/07/950067707.db2.gz KAFTVTQQIISMMV-DGCLKSJQSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892512 950072181 /nfs/dbraw/zinc/07/21/81/950072181.db2.gz XDUJWLCUGFACSK-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892512 950072208 /nfs/dbraw/zinc/07/22/08/950072208.db2.gz XDUJWLCUGFACSK-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183388 950085933 /nfs/dbraw/zinc/08/59/33/950085933.db2.gz RAFMEEUZHZHNRM-MNOVXSKESA-N -1 1 385.457 0.888 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183451 950090814 /nfs/dbraw/zinc/09/08/14/950090814.db2.gz SCCWPWCRZKYZAE-GWCFXTLKSA-N -1 1 385.407 0.899 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183452 950092531 /nfs/dbraw/zinc/09/25/31/950092531.db2.gz SCCWPWCRZKYZAE-GXFFZTMASA-N -1 1 385.407 0.899 20 0 GCADMM CC(=O)NCCN(C(=O)CCNC(=O)c1n[nH]c2ccccc21)[C@H](C)C(=O)[O-] ZINC000262265087 950099067 /nfs/dbraw/zinc/09/90/67/950099067.db2.gz SYFYLBOSLPNMDP-LLVKDONJSA-N -1 1 389.412 0.121 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183692 950102361 /nfs/dbraw/zinc/10/23/61/950102361.db2.gz SOYWYUFRCDTIOD-JSGCOSHPSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733289 950104438 /nfs/dbraw/zinc/10/44/38/950104438.db2.gz XQAOOHVYCCJUEW-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733289 950104456 /nfs/dbraw/zinc/10/44/56/950104456.db2.gz XQAOOHVYCCJUEW-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574493038 950113416 /nfs/dbraw/zinc/11/34/16/950113416.db2.gz QVSFOEFSBGTFBL-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574493038 950113436 /nfs/dbraw/zinc/11/34/36/950113436.db2.gz QVSFOEFSBGTFBL-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184079 950115054 /nfs/dbraw/zinc/11/50/54/950115054.db2.gz SRBDGZZKVUVMKQ-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184079 950115070 /nfs/dbraw/zinc/11/50/70/950115070.db2.gz SRBDGZZKVUVMKQ-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733480 950116209 /nfs/dbraw/zinc/11/62/09/950116209.db2.gz CDRMIRKTWBIUEP-QJPTWQEYSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575582474 950117000 /nfs/dbraw/zinc/11/70/00/950117000.db2.gz DELVGUQODJDJFL-ACJLOTCBSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575582474 950117015 /nfs/dbraw/zinc/11/70/15/950117015.db2.gz DELVGUQODJDJFL-ACJLOTCBSA-N -1 1 386.460 0.806 20 0 GCADMM O=CNc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC001595295339 950120287 /nfs/dbraw/zinc/12/02/87/950120287.db2.gz FOPYTOSUZNFHHB-NEPJUHHUSA-N -1 1 387.314 0.991 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184157 950120447 /nfs/dbraw/zinc/12/04/47/950120447.db2.gz USLZDAYURXCOQZ-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184157 950120466 /nfs/dbraw/zinc/12/04/66/950120466.db2.gz USLZDAYURXCOQZ-NEPJUHHUSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733926 950122422 /nfs/dbraw/zinc/12/24/22/950122422.db2.gz HCBUJODHKNGOTC-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574733966 950124029 /nfs/dbraw/zinc/12/40/29/950124029.db2.gz IDZCBHUFIWYYMS-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574733966 950124038 /nfs/dbraw/zinc/12/40/38/950124038.db2.gz IDZCBHUFIWYYMS-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184338 950125655 /nfs/dbraw/zinc/12/56/55/950125655.db2.gz UXRGCYQIEQXABC-WCQYABFASA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184338 950125663 /nfs/dbraw/zinc/12/56/63/950125663.db2.gz UXRGCYQIEQXABC-WCQYABFASA-N -1 1 383.416 0.784 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575582724 950126659 /nfs/dbraw/zinc/12/66/59/950126659.db2.gz GEDJQPJJKNHUCB-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575582724 950126673 /nfs/dbraw/zinc/12/66/73/950126673.db2.gz GEDJQPJJKNHUCB-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184382 950128324 /nfs/dbraw/zinc/12/83/24/950128324.db2.gz VGUHEEBPJODASR-NEPJUHHUSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184382 950128336 /nfs/dbraw/zinc/12/83/36/950128336.db2.gz VGUHEEBPJODASR-NEPJUHHUSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184397 950130102 /nfs/dbraw/zinc/13/01/02/950130102.db2.gz VIDDWBKNNPUUCX-VXGBXAGGSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184397 950130115 /nfs/dbraw/zinc/13/01/15/950130115.db2.gz VIDDWBKNNPUUCX-VXGBXAGGSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493514 950130897 /nfs/dbraw/zinc/13/08/97/950130897.db2.gz SZADYCBSRFRSLZ-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493514 950130906 /nfs/dbraw/zinc/13/09/06/950130906.db2.gz SZADYCBSRFRSLZ-SJCJKPOMSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574493456 950132169 /nfs/dbraw/zinc/13/21/69/950132169.db2.gz HATIFRCFMNMSJU-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574493456 950132183 /nfs/dbraw/zinc/13/21/83/950132183.db2.gz HATIFRCFMNMSJU-OCCSQVGLSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184581 950133734 /nfs/dbraw/zinc/13/37/34/950133734.db2.gz WPXJDGSNBCSLRJ-OCCSQVGLSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574493556 950137327 /nfs/dbraw/zinc/13/73/27/950137327.db2.gz TZXLDEWWTBFRJS-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001574493559 950138491 /nfs/dbraw/zinc/13/84/91/950138491.db2.gz TZXLDEWWTBFRJS-WCQYABFASA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184739 950143419 /nfs/dbraw/zinc/14/34/19/950143419.db2.gz XJTQZGQBSIAVRZ-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184739 950143435 /nfs/dbraw/zinc/14/34/35/950143435.db2.gz XJTQZGQBSIAVRZ-BXUZGUMPSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574493911 950144724 /nfs/dbraw/zinc/14/47/24/950144724.db2.gz VGQKHCXHKJQYHE-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCCC1 ZINC001575583580 950145041 /nfs/dbraw/zinc/14/50/41/950145041.db2.gz SNPZZXUGKSPLNE-SFHVURJKSA-N -1 1 386.460 0.685 20 0 GCADMM CC1(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575583580 950145056 /nfs/dbraw/zinc/14/50/56/950145056.db2.gz SNPZZXUGKSPLNE-SFHVURJKSA-N -1 1 386.460 0.685 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575583581 950145285 /nfs/dbraw/zinc/14/52/85/950145285.db2.gz MHXGQJNZXSAONN-ACJLOTCBSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575583581 950145311 /nfs/dbraw/zinc/14/53/11/950145311.db2.gz MHXGQJNZXSAONN-ACJLOTCBSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575583583 950146779 /nfs/dbraw/zinc/14/67/79/950146779.db2.gz MHXGQJNZXSAONN-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575583583 950146789 /nfs/dbraw/zinc/14/67/89/950146789.db2.gz MHXGQJNZXSAONN-FZKQIMNGSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574493987 950148099 /nfs/dbraw/zinc/14/80/99/950148099.db2.gz WGLZSQBPARECFA-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574493987 950148115 /nfs/dbraw/zinc/14/81/15/950148115.db2.gz WGLZSQBPARECFA-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574494118 950149310 /nfs/dbraw/zinc/14/93/10/950149310.db2.gz WWIAVXNEJXZYPG-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574494118 950149323 /nfs/dbraw/zinc/14/93/23/950149323.db2.gz WWIAVXNEJXZYPG-PXAZEXFGSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184983 950150885 /nfs/dbraw/zinc/15/08/85/950150885.db2.gz YAPCVFYRRABCNX-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184983 950150896 /nfs/dbraw/zinc/15/08/96/950150896.db2.gz YAPCVFYRRABCNX-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734917 950151825 /nfs/dbraw/zinc/15/18/25/950151825.db2.gz VBBMMIPDQPFDAY-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574494152 950152919 /nfs/dbraw/zinc/15/29/19/950152919.db2.gz XFZDTZWFWMAZSW-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574494152 950152931 /nfs/dbraw/zinc/15/29/31/950152931.db2.gz XFZDTZWFWMAZSW-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734998 950153788 /nfs/dbraw/zinc/15/37/88/950153788.db2.gz WUWCSVZPDSZKKY-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734998 950153797 /nfs/dbraw/zinc/15/37/97/950153797.db2.gz WUWCSVZPDSZKKY-WCFLWFBJSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185096 950155037 /nfs/dbraw/zinc/15/50/37/950155037.db2.gz ZNGNXDGAGVHFTM-NEPJUHHUSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@@H]1CCN(C(=O)C2=COCCO2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185096 950155049 /nfs/dbraw/zinc/15/50/49/950155049.db2.gz ZNGNXDGAGVHFTM-NEPJUHHUSA-N -1 1 386.416 0.441 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001574494254 950155243 /nfs/dbraw/zinc/15/52/43/950155243.db2.gz YGWLKBCEHGEVFM-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001574494254 950155263 /nfs/dbraw/zinc/15/52/63/950155263.db2.gz YGWLKBCEHGEVFM-IUODEOHRSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574494215 950157838 /nfs/dbraw/zinc/15/78/38/950157838.db2.gz XXFRZHHCGSOYFS-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574494215 950157848 /nfs/dbraw/zinc/15/78/48/950157848.db2.gz XXFRZHHCGSOYFS-GFCCVEGCSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574735040 950159775 /nfs/dbraw/zinc/15/97/75/950159775.db2.gz XYYMSICJCLFVRQ-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574735040 950159790 /nfs/dbraw/zinc/15/97/90/950159790.db2.gz XYYMSICJCLFVRQ-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM CC1(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575584085 950161120 /nfs/dbraw/zinc/16/11/20/950161120.db2.gz PHMNXBQBUYHGLP-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190528 950163459 /nfs/dbraw/zinc/16/34/59/950163459.db2.gz AFGJJLHGNDHEHZ-VXGBXAGGSA-N -1 1 382.432 0.022 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1ccnn1 ZINC001574154129 950165294 /nfs/dbraw/zinc/16/52/94/950165294.db2.gz BTAGUMXMSOBYTR-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1ccnn1 ZINC001574154129 950165306 /nfs/dbraw/zinc/16/53/06/950165306.db2.gz BTAGUMXMSOBYTR-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnn(C)c1N ZINC001574154116 950166429 /nfs/dbraw/zinc/16/64/29/950166429.db2.gz BLDKHXVWGJRHTJ-JTQLQIEISA-N -1 1 385.436 0.229 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnn(C)c1N ZINC001574154116 950166439 /nfs/dbraw/zinc/16/64/39/950166439.db2.gz BLDKHXVWGJRHTJ-JTQLQIEISA-N -1 1 385.436 0.229 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574154340 950171396 /nfs/dbraw/zinc/17/13/96/950171396.db2.gz DHUAPIVCDGBBSH-SCLBCKFNSA-N -1 1 388.476 0.573 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCOCC2)CCOC1 ZINC001575584644 950172239 /nfs/dbraw/zinc/17/22/39/950172239.db2.gz ZNNXWKCQIWIXMV-INIZCTEOSA-N -1 1 388.432 0.161 20 0 GCADMM C[C@]1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCOCC2)CCOC1 ZINC001575584644 950172262 /nfs/dbraw/zinc/17/22/62/950172262.db2.gz ZNNXWKCQIWIXMV-INIZCTEOSA-N -1 1 388.432 0.161 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CNC(=O)C1CC1 ZINC001574154685 950172319 /nfs/dbraw/zinc/17/23/19/950172319.db2.gz GAHVPYQHIIJOEO-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CNC(=O)C1CC1 ZINC001574154685 950172342 /nfs/dbraw/zinc/17/23/42/950172342.db2.gz GAHVPYQHIIJOEO-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)CCNC(=O)C1 ZINC001575584568 950173534 /nfs/dbraw/zinc/17/35/34/950173534.db2.gz XSCKBMYFHOMTRN-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)CCNC(=O)C1 ZINC001575584568 950173546 /nfs/dbraw/zinc/17/35/46/950173546.db2.gz XSCKBMYFHOMTRN-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnc[nH]c1=O ZINC001574154694 950173766 /nfs/dbraw/zinc/17/37/66/950173766.db2.gz GCKSBKHACPEZIA-SNVBAGLBSA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574494701 950177705 /nfs/dbraw/zinc/17/77/05/950177705.db2.gz MYAJALNYIHZWIE-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574494701 950177716 /nfs/dbraw/zinc/17/77/16/950177716.db2.gz MYAJALNYIHZWIE-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573843427 950178213 /nfs/dbraw/zinc/17/82/13/950178213.db2.gz XRMQUJHAHMWJAW-NEPJUHHUSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1cccc1 ZINC001574155002 950180044 /nfs/dbraw/zinc/18/00/44/950180044.db2.gz HSVVJIQTAAVRRK-AWEZNQCLSA-N -1 1 383.460 0.913 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574494822 950183014 /nfs/dbraw/zinc/18/30/14/950183014.db2.gz OXQALJYDSCHHIB-SMDDNHRTSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574494822 950183026 /nfs/dbraw/zinc/18/30/26/950183026.db2.gz OXQALJYDSCHHIB-SMDDNHRTSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575899848 950183584 /nfs/dbraw/zinc/18/35/84/950183584.db2.gz AGZFVBVIXBLRCP-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575899848 950183598 /nfs/dbraw/zinc/18/35/98/950183598.db2.gz AGZFVBVIXBLRCP-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001574494819 950184691 /nfs/dbraw/zinc/18/46/91/950184691.db2.gz OXQALJYDSCHHIB-BXUZGUMPSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001574494819 950184709 /nfs/dbraw/zinc/18/47/09/950184709.db2.gz OXQALJYDSCHHIB-BXUZGUMPSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCCOC1 ZINC001575585246 950191221 /nfs/dbraw/zinc/19/12/21/950191221.db2.gz XYQUAMGNHLHLHJ-JWXAPSBJSA-N -1 1 384.444 0.272 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCCOC1 ZINC001575585246 950191238 /nfs/dbraw/zinc/19/12/38/950191238.db2.gz XYQUAMGNHLHLHJ-JWXAPSBJSA-N -1 1 384.444 0.272 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc[n+]([O-])cc1 ZINC001574155417 950192005 /nfs/dbraw/zinc/19/20/05/950192005.db2.gz KTGQSURSGYABQV-ZDUSSCGKSA-N -1 1 383.416 0.547 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc[n+]([O-])cc1 ZINC001574155417 950192021 /nfs/dbraw/zinc/19/20/21/950192021.db2.gz KTGQSURSGYABQV-ZDUSSCGKSA-N -1 1 383.416 0.547 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc[n+]([O-])cc1 ZINC001574155416 950192230 /nfs/dbraw/zinc/19/22/30/950192230.db2.gz KTGQSURSGYABQV-CYBMUJFWSA-N -1 1 383.416 0.547 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc[n+]([O-])cc1 ZINC001574155416 950192241 /nfs/dbraw/zinc/19/22/41/950192241.db2.gz KTGQSURSGYABQV-CYBMUJFWSA-N -1 1 383.416 0.547 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575900311 950194092 /nfs/dbraw/zinc/19/40/92/950194092.db2.gz DNUUIADYANEYLR-NXEZZACHSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575585422 950194387 /nfs/dbraw/zinc/19/43/87/950194387.db2.gz YRGYVWYVUHPADM-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575585422 950194398 /nfs/dbraw/zinc/19/43/98/950194398.db2.gz YRGYVWYVUHPADM-SCLBCKFNSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575900312 950194593 /nfs/dbraw/zinc/19/45/93/950194593.db2.gz DNUUIADYANEYLR-UWVGGRQHSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575900263 950194769 /nfs/dbraw/zinc/19/47/69/950194769.db2.gz CZDSOQJTIVNOCN-CMPLNLGQSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191385 950196810 /nfs/dbraw/zinc/19/68/10/950196810.db2.gz FSVFHWHKFXSFSE-DGCLKSJQSA-N -1 1 380.416 0.079 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574155630 950200113 /nfs/dbraw/zinc/20/01/13/950200113.db2.gz PHISUOLRBQNZEH-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574155630 950200131 /nfs/dbraw/zinc/20/01/31/950200131.db2.gz PHISUOLRBQNZEH-NEPJUHHUSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191580 950201019 /nfs/dbraw/zinc/20/10/19/950201019.db2.gz IMRDUMMORSHWPP-WDEREUQCSA-N -1 1 385.407 0.756 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1-c1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574983225 950204657 /nfs/dbraw/zinc/20/46/57/950204657.db2.gz KTOPBPSEUDPATM-JTQLQIEISA-N -1 1 391.399 0.672 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1-c1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574983225 950204667 /nfs/dbraw/zinc/20/46/67/950204667.db2.gz KTOPBPSEUDPATM-JTQLQIEISA-N -1 1 391.399 0.672 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191888 950213895 /nfs/dbraw/zinc/21/38/95/950213895.db2.gz IVTIKHKFXSZPRN-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191888 950213912 /nfs/dbraw/zinc/21/39/12/950213912.db2.gz IVTIKHKFXSZPRN-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1COCCO1 ZINC001574155838 950213970 /nfs/dbraw/zinc/21/39/70/950213970.db2.gz SCBCQAXARXVZMC-YPMHNXCESA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1COCCO1 ZINC001574155838 950213985 /nfs/dbraw/zinc/21/39/85/950213985.db2.gz SCBCQAXARXVZMC-YPMHNXCESA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574155957 950216463 /nfs/dbraw/zinc/21/64/63/950216463.db2.gz SHLIGWVDUQLEQM-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574155957 950216480 /nfs/dbraw/zinc/21/64/80/950216480.db2.gz SHLIGWVDUQLEQM-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574156031 950216521 /nfs/dbraw/zinc/21/65/21/950216521.db2.gz UQOKJIPRGFLBBP-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574156031 950216540 /nfs/dbraw/zinc/21/65/40/950216540.db2.gz UQOKJIPRGFLBBP-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(Br)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574983474 950223561 /nfs/dbraw/zinc/22/35/61/950223561.db2.gz OPWSHEACASZASV-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(Br)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574983474 950223577 /nfs/dbraw/zinc/22/35/77/950223577.db2.gz OPWSHEACASZASV-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574156093 950223391 /nfs/dbraw/zinc/22/33/91/950223391.db2.gz WPBMKPKHBVDCJU-FZKQIMNGSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574497292 950226409 /nfs/dbraw/zinc/22/64/09/950226409.db2.gz ZCFSVCSAPKRVMB-NEPJUHHUSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574497292 950226424 /nfs/dbraw/zinc/22/64/24/950226424.db2.gz ZCFSVCSAPKRVMB-NEPJUHHUSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574497295 950227534 /nfs/dbraw/zinc/22/75/34/950227534.db2.gz ZCFSVCSAPKRVMB-VXGBXAGGSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574497295 950227552 /nfs/dbraw/zinc/22/75/52/950227552.db2.gz ZCFSVCSAPKRVMB-VXGBXAGGSA-N -1 1 384.448 0.525 20 0 GCADMM C[C@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574740702 950230626 /nfs/dbraw/zinc/23/06/26/950230626.db2.gz FFGZKVUBOSZWCO-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM C[C@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574740702 950230640 /nfs/dbraw/zinc/23/06/40/950230640.db2.gz FFGZKVUBOSZWCO-SNVBAGLBSA-N -1 1 382.432 0.452 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1CCOCC1 ZINC001574156213 950230911 /nfs/dbraw/zinc/23/09/11/950230911.db2.gz ZCLDJBKMKFVGQY-CQSZACIVSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574741205 950239407 /nfs/dbraw/zinc/23/94/07/950239407.db2.gz IGZAYLIHQWGIQS-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM C[C@@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574741205 950239418 /nfs/dbraw/zinc/23/94/18/950239418.db2.gz IGZAYLIHQWGIQS-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192307 950239510 /nfs/dbraw/zinc/23/95/10/950239510.db2.gz LUVDTDWHSDXWIU-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192307 950239519 /nfs/dbraw/zinc/23/95/19/950239519.db2.gz LUVDTDWHSDXWIU-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001574157742 950248650 /nfs/dbraw/zinc/24/86/50/950248650.db2.gz HRHUSRHUZIXENJ-VIFPVBQESA-N -1 1 389.445 0.497 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575902277 950254728 /nfs/dbraw/zinc/25/47/28/950254728.db2.gz UGRBPLVFTICBMT-BDAKNGLRSA-N -1 1 387.429 0.606 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574157794 950255961 /nfs/dbraw/zinc/25/59/61/950255961.db2.gz ITSVTBPPFDNHTJ-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574157794 950255971 /nfs/dbraw/zinc/25/59/71/950255971.db2.gz ITSVTBPPFDNHTJ-YPMHNXCESA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001574498006 950257369 /nfs/dbraw/zinc/25/73/69/950257369.db2.gz IDVWSLAUMBQZLO-LBPRGKRZSA-N -1 1 386.460 0.592 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)CC(N)=O ZINC001574157863 950259328 /nfs/dbraw/zinc/25/93/28/950259328.db2.gz KFIVDYMELKOTKM-QWRGUYRKSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)CC(N)=O ZINC001574157863 950259344 /nfs/dbraw/zinc/25/93/44/950259344.db2.gz KFIVDYMELKOTKM-QWRGUYRKSA-N -1 1 375.437 0.111 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574498082 950260113 /nfs/dbraw/zinc/26/01/13/950260113.db2.gz JQIQRYOAJZDHPC-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574498082 950260127 /nfs/dbraw/zinc/26/01/27/950260127.db2.gz JQIQRYOAJZDHPC-JSGCOSHPSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574984137 950260165 /nfs/dbraw/zinc/26/01/65/950260165.db2.gz VTQAPYIIXMXJPF-RXMQYKEDSA-N -1 1 381.809 0.290 20 0 GCADMM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574984137 950260181 /nfs/dbraw/zinc/26/01/81/950260181.db2.gz VTQAPYIIXMXJPF-RXMQYKEDSA-N -1 1 381.809 0.290 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(Br)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574984210 950260892 /nfs/dbraw/zinc/26/08/92/950260892.db2.gz WPFQSBDSYHVCOZ-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]c(Br)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574984210 950260909 /nfs/dbraw/zinc/26/09/09/950260909.db2.gz WPFQSBDSYHVCOZ-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1cnc[nH]c1=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574984134 950260967 /nfs/dbraw/zinc/26/09/67/950260967.db2.gz VTJKQROEZRESHX-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001573849783 950262835 /nfs/dbraw/zinc/26/28/35/950262835.db2.gz BTINEKYGPREUMQ-UHFFFAOYSA-N -1 1 379.446 0.242 20 0 GCADMM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001573849783 950262855 /nfs/dbraw/zinc/26/28/55/950262855.db2.gz BTINEKYGPREUMQ-UHFFFAOYSA-N -1 1 379.446 0.242 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192821 950264554 /nfs/dbraw/zinc/26/45/54/950264554.db2.gz PRUJBHUAZAOCMJ-NXEZZACHSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192821 950264574 /nfs/dbraw/zinc/26/45/74/950264574.db2.gz PRUJBHUAZAOCMJ-NXEZZACHSA-N -1 1 386.395 0.729 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574157928 950264777 /nfs/dbraw/zinc/26/47/77/950264777.db2.gz LHRFZAOTSRKCQE-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574157928 950264793 /nfs/dbraw/zinc/26/47/93/950264793.db2.gz LHRFZAOTSRKCQE-NWDGAFQWSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192757 950266065 /nfs/dbraw/zinc/26/60/65/950266065.db2.gz QUVGTSHCQJIUDQ-NWDGAFQWSA-N -1 1 380.416 0.079 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574158064 950268108 /nfs/dbraw/zinc/26/81/08/950268108.db2.gz NTRPTCQZHBQZJU-NWDGAFQWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574158064 950268128 /nfs/dbraw/zinc/26/81/28/950268128.db2.gz NTRPTCQZHBQZJU-NWDGAFQWSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574498370 950270726 /nfs/dbraw/zinc/27/07/26/950270726.db2.gz MUHZVMAFNNRQGS-HIFPTAJRSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192839 950273619 /nfs/dbraw/zinc/27/36/19/950273619.db2.gz PUWXPFCNQHDXDR-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192839 950273634 /nfs/dbraw/zinc/27/36/34/950273634.db2.gz PUWXPFCNQHDXDR-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574158463 950281942 /nfs/dbraw/zinc/28/19/42/950281942.db2.gz AYOIEYZMQXRBFF-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193060 950281919 /nfs/dbraw/zinc/28/19/19/950281919.db2.gz RHLUOFWZWXZMAP-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193060 950281940 /nfs/dbraw/zinc/28/19/40/950281940.db2.gz RHLUOFWZWXZMAP-WCQYABFASA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574158463 950281961 /nfs/dbraw/zinc/28/19/61/950281961.db2.gz AYOIEYZMQXRBFF-VXGBXAGGSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001574498707 950286113 /nfs/dbraw/zinc/28/61/13/950286113.db2.gz PTZFVWXQNDASRY-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001574498707 950286125 /nfs/dbraw/zinc/28/61/25/950286125.db2.gz PTZFVWXQNDASRY-LLVKDONJSA-N -1 1 382.432 0.645 20 0 GCADMM C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574499214 950296839 /nfs/dbraw/zinc/29/68/39/950296839.db2.gz TZIMRYQUFYWIHV-PNESKVBLSA-N -1 1 382.432 0.233 20 0 GCADMM CC(C)(C)OC(=O)CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573851487 950297379 /nfs/dbraw/zinc/29/73/79/950297379.db2.gz ZJQWSUDJGDHQAT-UHFFFAOYSA-N -1 1 392.420 0.487 20 0 GCADMM CC(C)(C)OC(=O)CCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001573851487 950297400 /nfs/dbraw/zinc/29/74/00/950297400.db2.gz ZJQWSUDJGDHQAT-UHFFFAOYSA-N -1 1 392.420 0.487 20 0 GCADMM CC(C)(C)OC(=O)N(CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)C[C@H]1CCCO1 ZINC001573851919 950297466 /nfs/dbraw/zinc/29/74/66/950297466.db2.gz ANEWFRJVCUZLJP-SNVBAGLBSA-N -1 1 392.420 0.944 20 0 GCADMM CC(C)(C)OC(=O)N(CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)C[C@H]1CCCO1 ZINC001573851919 950297482 /nfs/dbraw/zinc/29/74/82/950297482.db2.gz ANEWFRJVCUZLJP-SNVBAGLBSA-N -1 1 392.420 0.944 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1cc(-c3nnn[n-]3)ncn1)CCO2 ZINC001573852087 950304384 /nfs/dbraw/zinc/30/43/84/950304384.db2.gz CJTAVBKXKFQAHP-KRWDZBQOSA-N -1 1 388.432 0.873 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1cc(-c3nn[n-]n3)ncn1)CCO2 ZINC001573852087 950304412 /nfs/dbraw/zinc/30/44/12/950304412.db2.gz CJTAVBKXKFQAHP-KRWDZBQOSA-N -1 1 388.432 0.873 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](O)C1 ZINC001573852371 950308497 /nfs/dbraw/zinc/30/84/97/950308497.db2.gz GEZKPPDBBXZDEU-VHSXEESVSA-N -1 1 378.389 0.560 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](O)C1 ZINC001573852371 950308520 /nfs/dbraw/zinc/30/85/20/950308520.db2.gz GEZKPPDBBXZDEU-VHSXEESVSA-N -1 1 378.389 0.560 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](O)C1 ZINC001573852372 950309428 /nfs/dbraw/zinc/30/94/28/950309428.db2.gz GEZKPPDBBXZDEU-ZJUUUORDSA-N -1 1 378.389 0.560 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](O)C1 ZINC001573852372 950309447 /nfs/dbraw/zinc/30/94/47/950309447.db2.gz GEZKPPDBBXZDEU-ZJUUUORDSA-N -1 1 378.389 0.560 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573852838 950313108 /nfs/dbraw/zinc/31/31/08/950313108.db2.gz JXZGKQIHIOFKAU-GFCCVEGCSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573852838 950313132 /nfs/dbraw/zinc/31/31/32/950313132.db2.gz JXZGKQIHIOFKAU-GFCCVEGCSA-N -1 1 390.448 0.855 20 0 GCADMM CC(C)C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)CC(N)=O ZINC001574159757 950316370 /nfs/dbraw/zinc/31/63/70/950316370.db2.gz IIMHBVWYMKYCTA-SSDOTTSWSA-N -1 1 386.869 0.795 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193898 950317164 /nfs/dbraw/zinc/31/71/64/950317164.db2.gz VWCDIYQNFMMORW-ZJUUUORDSA-N -1 1 386.445 0.140 20 0 GCADMM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC(=O)c1coc(-c3nnn[n-]3)c1)CO2 ZINC001573853209 950320587 /nfs/dbraw/zinc/32/05/87/950320587.db2.gz OGHWDLVKACYGIN-NSHDSACASA-N -1 1 390.400 0.968 20 0 GCADMM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC(=O)c1coc(-c3nn[n-]n3)c1)CO2 ZINC001573853209 950320607 /nfs/dbraw/zinc/32/06/07/950320607.db2.gz OGHWDLVKACYGIN-NSHDSACASA-N -1 1 390.400 0.968 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nnn[n-]3)ncn2)C[C@H]1CCO ZINC001573853433 950320731 /nfs/dbraw/zinc/32/07/31/950320731.db2.gz OYJANBNHZQTNPI-LLVKDONJSA-N -1 1 376.421 0.465 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nn[n-]n3)ncn2)C[C@H]1CCO ZINC001573853433 950320757 /nfs/dbraw/zinc/32/07/57/950320757.db2.gz OYJANBNHZQTNPI-LLVKDONJSA-N -1 1 376.421 0.465 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193953 950322058 /nfs/dbraw/zinc/32/20/58/950322058.db2.gz WSQYQMWZTYIDQC-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193953 950322080 /nfs/dbraw/zinc/32/20/80/950322080.db2.gz WSQYQMWZTYIDQC-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM CC(C)(C)OC(=O)N(CCO)C1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001573853950 950330794 /nfs/dbraw/zinc/33/07/94/950330794.db2.gz VFZKVOILPJYBAM-UHFFFAOYSA-N -1 1 390.448 0.855 20 0 GCADMM CC1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575594386 950331660 /nfs/dbraw/zinc/33/16/60/950331660.db2.gz SFAYEKRDWNYEGJ-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575594386 950331679 /nfs/dbraw/zinc/33/16/79/950331679.db2.gz SFAYEKRDWNYEGJ-CYBMUJFWSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194199 950332830 /nfs/dbraw/zinc/33/28/30/950332830.db2.gz XNESJFWCULYEDT-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194199 950332854 /nfs/dbraw/zinc/33/28/54/950332854.db2.gz XNESJFWCULYEDT-NEPJUHHUSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@]1(C(=O)NCCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)CCCOC1 ZINC001575594433 950333141 /nfs/dbraw/zinc/33/31/41/950333141.db2.gz TXRYTOLXPMLMNV-SFHVURJKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NCCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)CCCOC1 ZINC001575594433 950333159 /nfs/dbraw/zinc/33/31/59/950333159.db2.gz TXRYTOLXPMLMNV-SFHVURJKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194234 950334085 /nfs/dbraw/zinc/33/40/85/950334085.db2.gz XXWKNNKNXHBZMI-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194234 950334105 /nfs/dbraw/zinc/33/41/05/950334105.db2.gz XXWKNNKNXHBZMI-ZJUUUORDSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574743757 950340216 /nfs/dbraw/zinc/34/02/16/950340216.db2.gz VVSLLFDZQWSJAG-QYNIQEEDSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194468 950340880 /nfs/dbraw/zinc/34/08/80/950340880.db2.gz ZCXWMSMNQPWQKA-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194468 950340898 /nfs/dbraw/zinc/34/08/98/950340898.db2.gz ZCXWMSMNQPWQKA-NXEZZACHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194469 950343389 /nfs/dbraw/zinc/34/33/89/950343389.db2.gz ZCXWMSMNQPWQKA-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194469 950343411 /nfs/dbraw/zinc/34/34/11/950343411.db2.gz ZCXWMSMNQPWQKA-UWVGGRQHSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574501899 950347428 /nfs/dbraw/zinc/34/74/28/950347428.db2.gz HEKVEFOMVNDRBF-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574501899 950347451 /nfs/dbraw/zinc/34/74/51/950347451.db2.gz HEKVEFOMVNDRBF-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573855268 950362252 /nfs/dbraw/zinc/36/22/52/950362252.db2.gz OAJBVTKNSANAAJ-GXSJLCMTSA-N -1 1 376.421 0.253 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C1CC1 ZINC001574502211 950365121 /nfs/dbraw/zinc/36/51/21/950365121.db2.gz KNYCAIIZNPIYRF-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C1CC1 ZINC001574502211 950365137 /nfs/dbraw/zinc/36/51/37/950365137.db2.gz KNYCAIIZNPIYRF-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)CCOC1 ZINC001575596013 950366351 /nfs/dbraw/zinc/36/63/51/950366351.db2.gz RLHGVSYIXJGBLR-SJCJKPOMSA-N -1 1 392.485 0.672 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)CCCCC1 ZINC001575596136 950367195 /nfs/dbraw/zinc/36/71/95/950367195.db2.gz SCAAGUITIMXNRC-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)CCCCC1 ZINC001575596136 950367216 /nfs/dbraw/zinc/36/72/16/950367216.db2.gz SCAAGUITIMXNRC-CYBMUJFWSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574745212 950375460 /nfs/dbraw/zinc/37/54/60/950375460.db2.gz HFULQIVYHAKLRC-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574745212 950375481 /nfs/dbraw/zinc/37/54/81/950375481.db2.gz HFULQIVYHAKLRC-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)(C)Cc1csc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001573855475 950376978 /nfs/dbraw/zinc/37/69/78/950376978.db2.gz VFIHIEDFKWWSKV-UHFFFAOYSA-N -1 1 390.429 0.813 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573855575 950382638 /nfs/dbraw/zinc/38/26/38/950382638.db2.gz YKVPFVBMKBAZFC-UMSGYPCISA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)N1CCC[C@H](C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)C1=O ZINC001573855544 950384405 /nfs/dbraw/zinc/38/44/05/950384405.db2.gz XVADCMPAYCPAFL-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)(C)N1CCC[C@H](C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)C1=O ZINC001573855544 950384413 /nfs/dbraw/zinc/38/44/13/950384413.db2.gz XVADCMPAYCPAFL-LLVKDONJSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574745758 950388339 /nfs/dbraw/zinc/38/83/39/950388339.db2.gz KBJJTILRRSEEDK-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574745758 950388357 /nfs/dbraw/zinc/38/83/57/950388357.db2.gz KBJJTILRRSEEDK-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573856771 950393306 /nfs/dbraw/zinc/39/33/06/950393306.db2.gz ICPKUYNCRFCYGF-WCQYABFASA-N -1 1 389.416 0.219 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573856771 950393326 /nfs/dbraw/zinc/39/33/26/950393326.db2.gz ICPKUYNCRFCYGF-WCQYABFASA-N -1 1 389.416 0.219 20 0 GCADMM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573856753 950395228 /nfs/dbraw/zinc/39/52/28/950395228.db2.gz HTLJHCALZMJHJX-JTQLQIEISA-N -1 1 386.376 0.743 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574162839 950403257 /nfs/dbraw/zinc/40/32/57/950403257.db2.gz JXYLPNJRCVSJRQ-NWDGAFQWSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574162839 950403270 /nfs/dbraw/zinc/40/32/70/950403270.db2.gz JXYLPNJRCVSJRQ-NWDGAFQWSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001574503383 950410168 /nfs/dbraw/zinc/41/01/68/950410168.db2.gz VDUUIPJMXXEZKF-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001574503383 950410182 /nfs/dbraw/zinc/41/01/82/950410182.db2.gz VDUUIPJMXXEZKF-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574163565 950426560 /nfs/dbraw/zinc/42/65/60/950426560.db2.gz WDCOVLRFVQPGLH-VXGBXAGGSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574163565 950426575 /nfs/dbraw/zinc/42/65/75/950426575.db2.gz WDCOVLRFVQPGLH-VXGBXAGGSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910720 950428378 /nfs/dbraw/zinc/42/83/78/950428378.db2.gz BGYZRAQZJXQRNY-CABZTGNLSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575910720 950428390 /nfs/dbraw/zinc/42/83/90/950428390.db2.gz BGYZRAQZJXQRNY-CABZTGNLSA-N -1 1 380.416 0.972 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)CC(N)=O ZINC001574163579 950433678 /nfs/dbraw/zinc/43/36/78/950433678.db2.gz WJYIMPTUBQHBRG-GHMZBOCLSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)CC(N)=O ZINC001574163579 950433696 /nfs/dbraw/zinc/43/36/96/950433696.db2.gz WJYIMPTUBQHBRG-GHMZBOCLSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573861034 950436780 /nfs/dbraw/zinc/43/67/80/950436780.db2.gz PTVONVBNMNWZTB-SNVBAGLBSA-N -1 1 391.436 0.220 20 0 GCADMM CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573861033 950437487 /nfs/dbraw/zinc/43/74/87/950437487.db2.gz PTVONVBNMNWZTB-JTQLQIEISA-N -1 1 391.436 0.220 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574163862 950440520 /nfs/dbraw/zinc/44/05/20/950440520.db2.gz ZRJONQTUKKRKJT-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574163862 950440536 /nfs/dbraw/zinc/44/05/36/950440536.db2.gz ZRJONQTUKKRKJT-RYUDHWBXSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574750748 950441202 /nfs/dbraw/zinc/44/12/02/950441202.db2.gz HANZCAYTRPMFCF-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574750748 950441216 /nfs/dbraw/zinc/44/12/16/950441216.db2.gz HANZCAYTRPMFCF-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001573861280 950444151 /nfs/dbraw/zinc/44/41/51/950444151.db2.gz WQQUSLINZUQMLX-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001573861280 950444167 /nfs/dbraw/zinc/44/41/67/950444167.db2.gz WQQUSLINZUQMLX-INIZCTEOSA-N -1 1 376.421 0.513 20 0 GCADMM C[C@@H]1CC[N@H+](CC(=O)NC2(CNc3ccnc(-c4nn[n-]n4)n3)CCCC2)C1 ZINC001576203798 950448860 /nfs/dbraw/zinc/44/88/60/950448860.db2.gz JWORODIEBUEENU-CYBMUJFWSA-N -1 1 385.476 0.261 20 0 GCADMM C[C@H]1CC[N@H+](CC(=O)NC2(CNc3ccnc(-c4nn[n-]n4)n3)CCCC2)C1 ZINC001576203800 950449795 /nfs/dbraw/zinc/44/97/95/950449795.db2.gz JWORODIEBUEENU-ZDUSSCGKSA-N -1 1 385.476 0.261 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001574507208 950453586 /nfs/dbraw/zinc/45/35/86/950453586.db2.gz FYQFKTXCEOOATF-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574507208 950453601 /nfs/dbraw/zinc/45/36/01/950453601.db2.gz FYQFKTXCEOOATF-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CCCCCC1 ZINC001575605338 950457081 /nfs/dbraw/zinc/45/70/81/950457081.db2.gz MJFPPXZSIRDJMI-KGLIPLIRSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CCCCCC1 ZINC001575605338 950457095 /nfs/dbraw/zinc/45/70/95/950457095.db2.gz MJFPPXZSIRDJMI-KGLIPLIRSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574751803 950466211 /nfs/dbraw/zinc/46/62/11/950466211.db2.gz RGNJDVMSWWULOW-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574751803 950466224 /nfs/dbraw/zinc/46/62/24/950466224.db2.gz RGNJDVMSWWULOW-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752124 950474435 /nfs/dbraw/zinc/47/44/35/950474435.db2.gz TXEJKJYOSARCBW-GFCCVEGCSA-N -1 1 381.444 0.789 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752300 950478473 /nfs/dbraw/zinc/47/84/73/950478473.db2.gz AFZHMIVWSMNGOY-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752300 950478479 /nfs/dbraw/zinc/47/84/79/950478479.db2.gz AFZHMIVWSMNGOY-QMMMGPOBSA-N -1 1 387.429 0.390 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)CCCCCC1 ZINC001575605819 950483646 /nfs/dbraw/zinc/48/36/46/950483646.db2.gz VQQJZNQADFUAMV-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)CCCCCC1 ZINC001575605819 950483665 /nfs/dbraw/zinc/48/36/65/950483665.db2.gz VQQJZNQADFUAMV-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574508951 950489801 /nfs/dbraw/zinc/48/98/01/950489801.db2.gz REWQRVHFCDLLOL-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574508951 950489815 /nfs/dbraw/zinc/48/98/15/950489815.db2.gz REWQRVHFCDLLOL-RWMBFGLXSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574994938 950497616 /nfs/dbraw/zinc/49/76/16/950497616.db2.gz BIJCVHUBGDHICW-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574994938 950497627 /nfs/dbraw/zinc/49/76/27/950497627.db2.gz BIJCVHUBGDHICW-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573866419 950499799 /nfs/dbraw/zinc/49/97/99/950499799.db2.gz BIKWADVWDPJOBK-NSHDSACASA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573866419 950499815 /nfs/dbraw/zinc/49/98/15/950499815.db2.gz BIKWADVWDPJOBK-NSHDSACASA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573866516 950506340 /nfs/dbraw/zinc/50/63/40/950506340.db2.gz FQWBQSWCRIPDOY-UHFFFAOYSA-N -1 1 390.448 0.237 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573866516 950506358 /nfs/dbraw/zinc/50/63/58/950506358.db2.gz FQWBQSWCRIPDOY-UHFFFAOYSA-N -1 1 390.448 0.237 20 0 GCADMM C[C@@H]1CC[N@H+](CC(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C)C1 ZINC001576205333 950509692 /nfs/dbraw/zinc/50/96/92/950509692.db2.gz XLYDEDSLTYIHKT-CHWSQXEVSA-N -1 1 387.492 0.363 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753225 950511528 /nfs/dbraw/zinc/51/15/28/950511528.db2.gz JVTMCAWSVMPTRN-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753225 950511552 /nfs/dbraw/zinc/51/15/52/950511552.db2.gz JVTMCAWSVMPTRN-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM CC(C)CC1(CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCC1 ZINC001574168476 950511474 /nfs/dbraw/zinc/51/14/74/950511474.db2.gz VXJKYXZAWQDMFZ-UHFFFAOYSA-N -1 1 390.448 0.645 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866763 950513198 /nfs/dbraw/zinc/51/31/98/950513198.db2.gz LPLQKDZSEIOEKM-LLVKDONJSA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866763 950513211 /nfs/dbraw/zinc/51/32/11/950513211.db2.gz LPLQKDZSEIOEKM-LLVKDONJSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574996033 950519650 /nfs/dbraw/zinc/51/96/50/950519650.db2.gz JXOXIQBELYQFNC-QMMMGPOBSA-N -1 1 382.388 0.260 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573867092 950520228 /nfs/dbraw/zinc/52/02/28/950520228.db2.gz PCGIAWFSXOHUSH-NSHDSACASA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573867092 950520241 /nfs/dbraw/zinc/52/02/41/950520241.db2.gz PCGIAWFSXOHUSH-NSHDSACASA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ncccn1 ZINC001575915761 950521979 /nfs/dbraw/zinc/52/19/79/950521979.db2.gz ODPXRKZIKWTPMA-NWDGAFQWSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ncccn1 ZINC001575915761 950521987 /nfs/dbraw/zinc/52/19/87/950521987.db2.gz ODPXRKZIKWTPMA-NWDGAFQWSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001574509600 950522534 /nfs/dbraw/zinc/52/25/34/950522534.db2.gz XMCFSVWVLOWMFW-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001574509600 950522543 /nfs/dbraw/zinc/52/25/43/950522543.db2.gz XMCFSVWVLOWMFW-AVGNSLFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574509718 950524420 /nfs/dbraw/zinc/52/44/20/950524420.db2.gz XPWODZTXXMYQAK-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574509718 950524437 /nfs/dbraw/zinc/52/44/37/950524437.db2.gz XPWODZTXXMYQAK-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573867169 950524626 /nfs/dbraw/zinc/52/46/26/950524626.db2.gz RTVWEVSGQRMCEX-CYBMUJFWSA-N -1 1 388.476 0.934 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)nn1C ZINC001574996321 950525356 /nfs/dbraw/zinc/52/53/56/950525356.db2.gz LGYFTQMUWWYODS-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)nn1C ZINC001574996321 950525371 /nfs/dbraw/zinc/52/53/71/950525371.db2.gz LGYFTQMUWWYODS-NSHDSACASA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)nn1C ZINC001574996994 950533161 /nfs/dbraw/zinc/53/31/61/950533161.db2.gz PNWWTPRJFQZLNQ-LLVKDONJSA-N -1 1 384.448 0.414 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574996709 950533567 /nfs/dbraw/zinc/53/35/67/950533567.db2.gz OUKBJSDUJINQGE-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574996709 950533580 /nfs/dbraw/zinc/53/35/80/950533580.db2.gz OUKBJSDUJINQGE-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574510020 950542275 /nfs/dbraw/zinc/54/22/75/950542275.db2.gz YIHDMTRWGOCOOE-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574510020 950542287 /nfs/dbraw/zinc/54/22/87/950542287.db2.gz YIHDMTRWGOCOOE-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1cccn1 ZINC001575916593 950544677 /nfs/dbraw/zinc/54/46/77/950544677.db2.gz QUNKAZRAOZBSFM-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1cccn1 ZINC001575916593 950544695 /nfs/dbraw/zinc/54/46/95/950544695.db2.gz QUNKAZRAOZBSFM-CHWSQXEVSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)[C@H]1CCCO1 ZINC001574510084 950545221 /nfs/dbraw/zinc/54/52/21/950545221.db2.gz ZWRYLEIEHQUIIU-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)[C@H]1CCCO1 ZINC001574510084 950545244 /nfs/dbraw/zinc/54/52/44/950545244.db2.gz ZWRYLEIEHQUIIU-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574997920 950552958 /nfs/dbraw/zinc/55/29/58/950552958.db2.gz ZDTRWCYZNGLTDC-SNVBAGLBSA-N -1 1 384.448 0.577 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)CC(C)(C)C ZINC001574511357 950554163 /nfs/dbraw/zinc/55/41/63/950554163.db2.gz ISLFMAYZUUUMEV-MRVWCRGKSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)CC(C)(C)C ZINC001574511357 950554183 /nfs/dbraw/zinc/55/41/83/950554183.db2.gz ISLFMAYZUUUMEV-MRVWCRGKSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573869174 950554591 /nfs/dbraw/zinc/55/45/91/950554591.db2.gz MCSCFLGZEJHYDG-OLZOCXBDSA-N -1 1 388.476 0.981 20 0 GCADMM CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001575614856 950555570 /nfs/dbraw/zinc/55/55/70/950555570.db2.gz SDZHPXSNZGDIFJ-UHFFFAOYSA-N -1 1 379.380 0.792 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575917005 950555619 /nfs/dbraw/zinc/55/56/19/950555619.db2.gz UIGDGMZOQHRWPT-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001575917005 950555637 /nfs/dbraw/zinc/55/56/37/950555637.db2.gz UIGDGMZOQHRWPT-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573869173 950556096 /nfs/dbraw/zinc/55/60/96/950556096.db2.gz MCSCFLGZEJHYDG-CHWSQXEVSA-N -1 1 388.476 0.981 20 0 GCADMM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575614977 950559752 /nfs/dbraw/zinc/55/97/52/950559752.db2.gz XHEZLHPVYCVEIS-MCTLKSGKSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575614977 950559764 /nfs/dbraw/zinc/55/97/64/950559764.db2.gz XHEZLHPVYCVEIS-MCTLKSGKSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O)c1ccco1 ZINC001574511691 950572053 /nfs/dbraw/zinc/57/20/53/950572053.db2.gz QITKCJYCNYBTPU-QJPTWQEYSA-N -1 1 384.400 0.109 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574999287 950580073 /nfs/dbraw/zinc/58/00/73/950580073.db2.gz ITBYOJRDQQPAKE-SECBINFHSA-N -1 1 375.824 0.903 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574999287 950580101 /nfs/dbraw/zinc/58/01/01/950580101.db2.gz ITBYOJRDQQPAKE-SECBINFHSA-N -1 1 375.824 0.903 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cnccn1 ZINC001575917558 950580293 /nfs/dbraw/zinc/58/02/93/950580293.db2.gz ZCDPATYLRXTHAO-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cnccn1 ZINC001575917558 950580306 /nfs/dbraw/zinc/58/03/06/950580306.db2.gz ZCDPATYLRXTHAO-DGCLKSJQSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575918159 950586262 /nfs/dbraw/zinc/58/62/62/950586262.db2.gz ATFMXXLYXDSVGZ-QWHCGFSZSA-N -1 1 382.432 0.157 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575918158 950586440 /nfs/dbraw/zinc/58/64/40/950586440.db2.gz ATFMXXLYXDSVGZ-OLZOCXBDSA-N -1 1 382.432 0.157 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000074 950593288 /nfs/dbraw/zinc/59/32/88/950593288.db2.gz OUHAZMYWWZPUFQ-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000074 950593306 /nfs/dbraw/zinc/59/33/06/950593306.db2.gz OUHAZMYWWZPUFQ-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575000034 950594680 /nfs/dbraw/zinc/59/46/80/950594680.db2.gz ABVOIRUYJSBIGM-JTQLQIEISA-N -1 1 381.400 0.029 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575000143 950597369 /nfs/dbraw/zinc/59/73/69/950597369.db2.gz ASFCPBQJOSSKSB-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575000143 950597385 /nfs/dbraw/zinc/59/73/85/950597385.db2.gz ASFCPBQJOSSKSB-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000209 950598486 /nfs/dbraw/zinc/59/84/86/950598486.db2.gz PUSFPZZVALEFOR-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000209 950598498 /nfs/dbraw/zinc/59/84/98/950598498.db2.gz PUSFPZZVALEFOR-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM CC1(C)C(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1(C)C ZINC001575617957 950603187 /nfs/dbraw/zinc/60/31/87/950603187.db2.gz FFGYAFMWHSBAIN-SFHVURJKSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575617957 950603199 /nfs/dbraw/zinc/60/31/99/950603199.db2.gz FFGYAFMWHSBAIN-SFHVURJKSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574513304 950604562 /nfs/dbraw/zinc/60/45/62/950604562.db2.gz MWMIBSNGCDGFEI-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574513304 950604578 /nfs/dbraw/zinc/60/45/78/950604578.db2.gz MWMIBSNGCDGFEI-JSGCOSHPSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000640 950609616 /nfs/dbraw/zinc/60/96/16/950609616.db2.gz RFEPJWIUILAFSC-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000640 950609630 /nfs/dbraw/zinc/60/96/30/950609630.db2.gz RFEPJWIUILAFSC-ZETCQYMHSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575919360 950610655 /nfs/dbraw/zinc/61/06/55/950610655.db2.gz GZPUWXMYGWSEBP-ONGXEEELSA-N -1 1 387.835 0.786 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575000804 950611184 /nfs/dbraw/zinc/61/11/84/950611184.db2.gz FSUXWLJIKVCBKI-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575000804 950611193 /nfs/dbraw/zinc/61/11/93/950611193.db2.gz FSUXWLJIKVCBKI-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)C1(C)C ZINC001575618534 950611707 /nfs/dbraw/zinc/61/17/07/950611707.db2.gz JXBQGBGPNZTOBO-PWSUYJOCSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)C1(C)C ZINC001575618534 950611717 /nfs/dbraw/zinc/61/17/17/950611717.db2.gz JXBQGBGPNZTOBO-PWSUYJOCSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575919407 950612732 /nfs/dbraw/zinc/61/27/32/950612732.db2.gz HTHBJGIOLGFVTK-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575919407 950612775 /nfs/dbraw/zinc/61/27/75/950612775.db2.gz HTHBJGIOLGFVTK-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)C1(C)C ZINC001575618538 950614646 /nfs/dbraw/zinc/61/46/46/950614646.db2.gz JXBQGBGPNZTOBO-ZYHUDNBSSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)C1(C)C ZINC001575618538 950614666 /nfs/dbraw/zinc/61/46/66/950614666.db2.gz JXBQGBGPNZTOBO-ZYHUDNBSSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758590 950617224 /nfs/dbraw/zinc/61/72/24/950617224.db2.gz DYECUCRYIGAOFX-LBPRGKRZSA-N -1 1 381.444 0.717 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575620302 950625817 /nfs/dbraw/zinc/62/58/17/950625817.db2.gz VSMOVLWEPAMNNI-NSHDSACASA-N -1 1 386.460 0.978 20 0 GCADMM CC1(C)C(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575620302 950625826 /nfs/dbraw/zinc/62/58/26/950625826.db2.gz VSMOVLWEPAMNNI-NSHDSACASA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575920263 950630725 /nfs/dbraw/zinc/63/07/25/950630725.db2.gz MAFCSJITNLWVQT-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575920263 950630743 /nfs/dbraw/zinc/63/07/43/950630743.db2.gz MAFCSJITNLWVQT-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574516274 950634175 /nfs/dbraw/zinc/63/41/75/950634175.db2.gz GWINCJLSWMCXSS-WCFLWFBJSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574516274 950634182 /nfs/dbraw/zinc/63/41/82/950634182.db2.gz GWINCJLSWMCXSS-WCFLWFBJSA-N -1 1 382.432 0.643 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574759743 950641883 /nfs/dbraw/zinc/64/18/83/950641883.db2.gz DOFHXAJWHXUTGE-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574759743 950641898 /nfs/dbraw/zinc/64/18/98/950641898.db2.gz DOFHXAJWHXUTGE-ZCFIWIBFSA-N -1 1 382.841 0.678 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759779 950647290 /nfs/dbraw/zinc/64/72/90/950647290.db2.gz FCNMUYJPSSCKKJ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759779 950647300 /nfs/dbraw/zinc/64/73/00/950647300.db2.gz FCNMUYJPSSCKKJ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)CC2 ZINC001575623141 950648526 /nfs/dbraw/zinc/64/85/26/950648526.db2.gz ITYZEPZLDLOVJB-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)CC2 ZINC001575623141 950648539 /nfs/dbraw/zinc/64/85/39/950648539.db2.gz ITYZEPZLDLOVJB-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002035 950650969 /nfs/dbraw/zinc/65/09/69/950650969.db2.gz YQQWCQIKXOUTDL-MRVPVSSYSA-N -1 1 390.358 0.284 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574518263 950651415 /nfs/dbraw/zinc/65/14/15/950651415.db2.gz MZPMAMFIQQZODT-GUBZILKMSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)n1ccnc1 ZINC001574518277 950651980 /nfs/dbraw/zinc/65/19/80/950651980.db2.gz NHCQMDZTBFTSAH-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)n1ccnc1 ZINC001574518277 950651994 /nfs/dbraw/zinc/65/19/94/950651994.db2.gz NHCQMDZTBFTSAH-UPJWGTAASA-N -1 1 382.432 0.588 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccncc1 ZINC001575923275 950654720 /nfs/dbraw/zinc/65/47/20/950654720.db2.gz QDBRWZWDARHWJA-TZMCWYRMSA-N -1 1 379.428 0.508 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760011 950655511 /nfs/dbraw/zinc/65/55/11/950655511.db2.gz SDAUTZWIBTYIQT-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760011 950655528 /nfs/dbraw/zinc/65/55/28/950655528.db2.gz SDAUTZWIBTYIQT-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760226 950660584 /nfs/dbraw/zinc/66/05/84/950660584.db2.gz HSSMSFWVGAPWCL-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760226 950660595 /nfs/dbraw/zinc/66/05/95/950660595.db2.gz HSSMSFWVGAPWCL-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575923347 950661101 /nfs/dbraw/zinc/66/11/01/950661101.db2.gz RBISLSIASWXOFR-WPRPVWTQSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760247 950661828 /nfs/dbraw/zinc/66/18/28/950661828.db2.gz HWXLTNAUJVKCQD-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760247 950661839 /nfs/dbraw/zinc/66/18/39/950661839.db2.gz HWXLTNAUJVKCQD-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575924032 950667000 /nfs/dbraw/zinc/66/70/00/950667000.db2.gz DNMJWGMVVIGIQH-NWDGAFQWSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575924032 950667012 /nfs/dbraw/zinc/66/70/12/950667012.db2.gz DNMJWGMVVIGIQH-NWDGAFQWSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760513 950667363 /nfs/dbraw/zinc/66/73/63/950667363.db2.gz WHETVJVTJJUCRX-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760513 950667382 /nfs/dbraw/zinc/66/73/82/950667382.db2.gz WHETVJVTJJUCRX-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002752 950669445 /nfs/dbraw/zinc/66/94/45/950669445.db2.gz WMKSLFAVCQZODY-NSHDSACASA-N -1 1 382.432 0.018 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576214484 950670645 /nfs/dbraw/zinc/67/06/45/950670645.db2.gz ARQBOEHJIFNRLB-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576214484 950670654 /nfs/dbraw/zinc/67/06/54/950670654.db2.gz ARQBOEHJIFNRLB-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575924258 950670800 /nfs/dbraw/zinc/67/08/00/950670800.db2.gz RYFXHRAVOADRBY-ONGXEEELSA-N -1 1 378.387 0.915 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760606 950671687 /nfs/dbraw/zinc/67/16/87/950671687.db2.gz JWBNTNOYLSNPRT-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C2CCC2)nn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760606 950671701 /nfs/dbraw/zinc/67/17/01/950671701.db2.gz JWBNTNOYLSNPRT-JTQLQIEISA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC001575924540 950676050 /nfs/dbraw/zinc/67/60/50/950676050.db2.gz SHSRXZCKKVXBPX-ZYHUDNBSSA-N -1 1 390.411 0.670 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576214682 950678238 /nfs/dbraw/zinc/67/82/38/950678238.db2.gz BPXBZEFWJYBZDR-ZUZCIYMTSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576214682 950678252 /nfs/dbraw/zinc/67/82/52/950678252.db2.gz BPXBZEFWJYBZDR-ZUZCIYMTSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574519401 950678261 /nfs/dbraw/zinc/67/82/61/950678261.db2.gz USVYFCFNEYIMJP-CXTNEJHOSA-N -1 1 394.443 0.730 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574519401 950678273 /nfs/dbraw/zinc/67/82/73/950678273.db2.gz USVYFCFNEYIMJP-CXTNEJHOSA-N -1 1 394.443 0.730 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925034 950679566 /nfs/dbraw/zinc/67/95/66/950679566.db2.gz GHAFOGKFYYZBSD-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575925034 950679577 /nfs/dbraw/zinc/67/95/77/950679577.db2.gz GHAFOGKFYYZBSD-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760761 950680127 /nfs/dbraw/zinc/68/01/27/950680127.db2.gz ZNQLUWSHFBEWAR-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760761 950680140 /nfs/dbraw/zinc/68/01/40/950680140.db2.gz ZNQLUWSHFBEWAR-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1ccco1 ZINC001574519509 950682530 /nfs/dbraw/zinc/68/25/30/950682530.db2.gz DYVMEKLDTJHXRG-KVFJLYFUSA-N -1 1 380.412 0.994 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1ccco1 ZINC001574519509 950682539 /nfs/dbraw/zinc/68/25/39/950682539.db2.gz DYVMEKLDTJHXRG-KVFJLYFUSA-N -1 1 380.412 0.994 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573877447 950685783 /nfs/dbraw/zinc/68/57/83/950685783.db2.gz AYXZAWIRIKZDPZ-SEDUGSJDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573877447 950685808 /nfs/dbraw/zinc/68/58/08/950685808.db2.gz AYXZAWIRIKZDPZ-SEDUGSJDSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760998 950687300 /nfs/dbraw/zinc/68/73/00/950687300.db2.gz PYJLIIQRGUGBBH-JTQLQIEISA-N -1 1 382.432 0.262 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cccn1 ZINC001575925548 950687937 /nfs/dbraw/zinc/68/79/37/950687937.db2.gz HHJFDLNVTZIHCX-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cccn1 ZINC001575925548 950687953 /nfs/dbraw/zinc/68/79/53/950687953.db2.gz HHJFDLNVTZIHCX-OLZOCXBDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001575925751 950692938 /nfs/dbraw/zinc/69/29/38/950692938.db2.gz USPYBLVXXCWVEF-HTQZYQBOSA-N -1 1 391.848 0.904 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001575925776 950693937 /nfs/dbraw/zinc/69/39/37/950693937.db2.gz UUVHPWCQUCIXSZ-NEPJUHHUSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574761575 950695644 /nfs/dbraw/zinc/69/56/44/950695644.db2.gz SLLFUBJZDNESME-LLVKDONJSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCO1 ZINC001574519761 950695844 /nfs/dbraw/zinc/69/58/44/950695844.db2.gz YNKNDPJVQJDSKL-XUXIUFHCSA-N -1 1 386.460 0.591 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574761182 950696366 /nfs/dbraw/zinc/69/63/66/950696366.db2.gz SCYBBAWJSIOKJC-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574761182 950696371 /nfs/dbraw/zinc/69/63/71/950696371.db2.gz SCYBBAWJSIOKJC-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926182 950699480 /nfs/dbraw/zinc/69/94/80/950699480.db2.gz VWJOJXLJEYVOFM-PSASIEDQSA-N -1 1 388.823 0.181 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926138 950702618 /nfs/dbraw/zinc/70/26/18/950702618.db2.gz IXNWUIHXOLAFDH-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926138 950702630 /nfs/dbraw/zinc/70/26/30/950702630.db2.gz IXNWUIHXOLAFDH-SCZZXKLOSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926140 950702716 /nfs/dbraw/zinc/70/27/16/950702716.db2.gz IXNWUIHXOLAFDH-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926140 950702730 /nfs/dbraw/zinc/70/27/30/950702730.db2.gz IXNWUIHXOLAFDH-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574762191 950704616 /nfs/dbraw/zinc/70/46/16/950704616.db2.gz WZWPIJKNRJUVHA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574762191 950704628 /nfs/dbraw/zinc/70/46/28/950704628.db2.gz WZWPIJKNRJUVHA-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@H]1CCCO1 ZINC001574520005 950706909 /nfs/dbraw/zinc/70/69/09/950706909.db2.gz ZMJVDWSVNCSLQC-IGXHCJPISA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@H]1CCCO1 ZINC001574520005 950706922 /nfs/dbraw/zinc/70/69/22/950706922.db2.gz ZMJVDWSVNCSLQC-IGXHCJPISA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CCCO1 ZINC001574520013 950707097 /nfs/dbraw/zinc/70/70/97/950707097.db2.gz ZSBLZOKQKBYNND-LVYCXYHQSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccnn1C ZINC001575926388 950709107 /nfs/dbraw/zinc/70/91/07/950709107.db2.gz JQODYTNWNYZZRH-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccnn1C ZINC001575926388 950709123 /nfs/dbraw/zinc/70/91/23/950709123.db2.gz JQODYTNWNYZZRH-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574179571 950709501 /nfs/dbraw/zinc/70/95/01/950709501.db2.gz FTZBAKAEHPOLDO-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574179571 950709518 /nfs/dbraw/zinc/70/95/18/950709518.db2.gz FTZBAKAEHPOLDO-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CCCO1 ZINC001574520015 950709499 /nfs/dbraw/zinc/70/94/99/950709499.db2.gz ZSBLZOKQKBYNND-WSGDXGOYSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763417 950711985 /nfs/dbraw/zinc/71/19/85/950711985.db2.gz APXVUBWQVVLZOK-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763417 950711994 /nfs/dbraw/zinc/71/19/94/950711994.db2.gz APXVUBWQVVLZOK-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576215901 950713678 /nfs/dbraw/zinc/71/36/78/950713678.db2.gz HDFIFAJPQVTMHI-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576215901 950713689 /nfs/dbraw/zinc/71/36/89/950713689.db2.gz HDFIFAJPQVTMHI-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763502 950717907 /nfs/dbraw/zinc/71/79/07/950717907.db2.gz CNZJHYSPYCPASG-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763502 950717925 /nfs/dbraw/zinc/71/79/25/950717925.db2.gz CNZJHYSPYCPASG-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575006513 950719480 /nfs/dbraw/zinc/71/94/80/950719480.db2.gz VFLZXGSGIQDHTR-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CC(=O)OCc1ccccc1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001574520242 950719887 /nfs/dbraw/zinc/71/98/87/950719887.db2.gz OFSOBGMHPCVJBD-JTQLQIEISA-N -1 1 385.384 0.600 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)no1 ZINC001573879391 950723393 /nfs/dbraw/zinc/72/33/93/950723393.db2.gz AHKLOIDJGJNTSF-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)no1 ZINC001573879391 950723402 /nfs/dbraw/zinc/72/34/02/950723402.db2.gz AHKLOIDJGJNTSF-SECBINFHSA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575926962 950726288 /nfs/dbraw/zinc/72/62/88/950726288.db2.gz NBDBKUCCDDBLNN-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575926962 950726304 /nfs/dbraw/zinc/72/63/04/950726304.db2.gz NBDBKUCCDDBLNN-PSASIEDQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)O1 ZINC001576216311 950727424 /nfs/dbraw/zinc/72/74/24/950727424.db2.gz DGRGEOMIRBIUPA-SGTLLEGYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)O1 ZINC001576216311 950727438 /nfs/dbraw/zinc/72/74/38/950727438.db2.gz DGRGEOMIRBIUPA-SGTLLEGYSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216291 950727594 /nfs/dbraw/zinc/72/75/94/950727594.db2.gz HOPJPJPMWQLVPW-MNOVXSKESA-N -1 1 382.432 0.088 20 0 GCADMM CC1(C)CC(C(=O)NC2(CO)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001575628763 950728862 /nfs/dbraw/zinc/72/88/62/950728862.db2.gz GLRGWQXBNNHGHA-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)NC2(CO)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001575628763 950728876 /nfs/dbraw/zinc/72/88/76/950728876.db2.gz GLRGWQXBNNHGHA-UHFFFAOYSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216377 950733134 /nfs/dbraw/zinc/73/31/34/950733134.db2.gz INMCDRJFIQYSBZ-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216377 950733146 /nfs/dbraw/zinc/73/31/46/950733146.db2.gz INMCDRJFIQYSBZ-GHMZBOCLSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574763815 950733935 /nfs/dbraw/zinc/73/39/35/950733935.db2.gz LLYMUDBQCCIHFJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574763815 950733955 /nfs/dbraw/zinc/73/39/55/950733955.db2.gz LLYMUDBQCCIHFJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574180973 950736007 /nfs/dbraw/zinc/73/60/07/950736007.db2.gz HPKOLINGBHWUQB-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574180973 950736030 /nfs/dbraw/zinc/73/60/30/950736030.db2.gz HPKOLINGBHWUQB-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574180968 950736521 /nfs/dbraw/zinc/73/65/21/950736521.db2.gz HGZUIAIPJFVZHI-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574180968 950736545 /nfs/dbraw/zinc/73/65/45/950736545.db2.gz HGZUIAIPJFVZHI-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763981 950738459 /nfs/dbraw/zinc/73/84/59/950738459.db2.gz OHQFSESMRJXWTD-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763981 950738480 /nfs/dbraw/zinc/73/84/80/950738480.db2.gz OHQFSESMRJXWTD-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574181021 950739344 /nfs/dbraw/zinc/73/93/44/950739344.db2.gz IOHGDVUTJLFKKM-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574181021 950739358 /nfs/dbraw/zinc/73/93/58/950739358.db2.gz IOHGDVUTJLFKKM-NSHDSACASA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927304 950740560 /nfs/dbraw/zinc/74/05/60/950740560.db2.gz OXHSPVVEJQQTIL-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927304 950740574 /nfs/dbraw/zinc/74/05/74/950740574.db2.gz OXHSPVVEJQQTIL-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764025 950743495 /nfs/dbraw/zinc/74/34/95/950743495.db2.gz PHFNTQNUQRNYFP-QMMMGPOBSA-N -1 1 378.347 0.243 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574181322 950744158 /nfs/dbraw/zinc/74/41/58/950744158.db2.gz LPRPUENQSCCGBP-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574181322 950744175 /nfs/dbraw/zinc/74/41/75/950744175.db2.gz LPRPUENQSCCGBP-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574181310 950744483 /nfs/dbraw/zinc/74/44/83/950744483.db2.gz LMWLEHFRPLZLOX-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574181310 950744500 /nfs/dbraw/zinc/74/45/00/950744500.db2.gz LMWLEHFRPLZLOX-LBPRGKRZSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574181684 950744596 /nfs/dbraw/zinc/74/45/96/950744596.db2.gz OCCNZHOPKBJXAP-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574181684 950744604 /nfs/dbraw/zinc/74/46/04/950744604.db2.gz OCCNZHOPKBJXAP-GFCCVEGCSA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncnc1 ZINC001575927480 950744987 /nfs/dbraw/zinc/74/49/87/950744987.db2.gz PQBFDDDGJMWLBJ-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncnc1 ZINC001575927480 950745001 /nfs/dbraw/zinc/74/50/01/950745001.db2.gz PQBFDDDGJMWLBJ-YPMHNXCESA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576216923 950745335 /nfs/dbraw/zinc/74/53/35/950745335.db2.gz KAFJSRKXNHOJGW-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576216923 950745344 /nfs/dbraw/zinc/74/53/44/950745344.db2.gz KAFJSRKXNHOJGW-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764228 950746064 /nfs/dbraw/zinc/74/60/64/950746064.db2.gz RNKPLXDMFNPYLI-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764228 950746073 /nfs/dbraw/zinc/74/60/73/950746073.db2.gz RNKPLXDMFNPYLI-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574181755 950748963 /nfs/dbraw/zinc/74/89/63/950748963.db2.gz PIRMOJAHXLUTOW-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574181755 950748984 /nfs/dbraw/zinc/74/89/84/950748984.db2.gz PIRMOJAHXLUTOW-VXGBXAGGSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)O1 ZINC001576217036 950752192 /nfs/dbraw/zinc/75/21/92/950752192.db2.gz GHHFOYHGMDICFP-APPDUMDISA-N -1 1 390.423 0.601 20 0 GCADMM C[C@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)O1 ZINC001576217036 950752212 /nfs/dbraw/zinc/75/22/12/950752212.db2.gz GHHFOYHGMDICFP-APPDUMDISA-N -1 1 390.423 0.601 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576217321 950756091 /nfs/dbraw/zinc/75/60/91/950756091.db2.gz MJBKWXNTTREMQI-QWRGUYRKSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574764720 950757481 /nfs/dbraw/zinc/75/74/81/950757481.db2.gz XEURQJZBAMAYLF-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574764720 950757489 /nfs/dbraw/zinc/75/74/89/950757489.db2.gz XEURQJZBAMAYLF-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)n1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574764784 950761393 /nfs/dbraw/zinc/76/13/93/950761393.db2.gz YKJNXHHQLKSDOI-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn(C)n1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574764784 950761405 /nfs/dbraw/zinc/76/14/05/950761405.db2.gz YKJNXHHQLKSDOI-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574182492 950762927 /nfs/dbraw/zinc/76/29/27/950762927.db2.gz WUKZLYHQRPWPPX-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574182492 950762937 /nfs/dbraw/zinc/76/29/37/950762937.db2.gz WUKZLYHQRPWPPX-GFCCVEGCSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)(C)c1ccc(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001573881971 950763697 /nfs/dbraw/zinc/76/36/97/950763697.db2.gz MCQJLSQBFUBDMD-UHFFFAOYSA-N -1 1 383.412 0.857 20 0 GCADMM CC1(C)CC(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCCO2)C1 ZINC001575630745 950767100 /nfs/dbraw/zinc/76/71/00/950767100.db2.gz GRHSHRONVGWBKV-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCCO2)C1 ZINC001575630745 950767114 /nfs/dbraw/zinc/76/71/14/950767114.db2.gz GRHSHRONVGWBKV-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575928143 950777158 /nfs/dbraw/zinc/77/71/58/950777158.db2.gz ZCZXCYTXXJQEPV-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575928143 950777173 /nfs/dbraw/zinc/77/71/73/950777173.db2.gz ZCZXCYTXXJQEPV-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573884007 950778892 /nfs/dbraw/zinc/77/88/92/950778892.db2.gz CAXITPSGPYZPJC-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573884007 950778912 /nfs/dbraw/zinc/77/89/12/950778912.db2.gz CAXITPSGPYZPJC-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573884008 950779071 /nfs/dbraw/zinc/77/90/71/950779071.db2.gz CAXITPSGPYZPJC-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573884008 950779088 /nfs/dbraw/zinc/77/90/88/950779088.db2.gz CAXITPSGPYZPJC-SNVBAGLBSA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1csc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001573884086 950782002 /nfs/dbraw/zinc/78/20/02/950782002.db2.gz HECNODLWZUSVND-UHFFFAOYSA-N -1 1 390.429 0.199 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ccnc(-c4nn[n-]n4)n3)c2C1 ZINC001576218381 950786723 /nfs/dbraw/zinc/78/67/23/950786723.db2.gz RHTMXKKJJMWLRT-SNVBAGLBSA-N -1 1 382.432 0.371 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574184844 950787430 /nfs/dbraw/zinc/78/74/30/950787430.db2.gz ORDPMLGMPRLZPT-ZDUSSCGKSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574184844 950787464 /nfs/dbraw/zinc/78/74/64/950787464.db2.gz ORDPMLGMPRLZPT-ZDUSSCGKSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574184843 950789525 /nfs/dbraw/zinc/78/95/25/950789525.db2.gz ORDPMLGMPRLZPT-CYBMUJFWSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574184843 950789545 /nfs/dbraw/zinc/78/95/45/950789545.db2.gz ORDPMLGMPRLZPT-CYBMUJFWSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884212 950790732 /nfs/dbraw/zinc/79/07/32/950790732.db2.gz ASQUBSVLGOETPZ-AOOOYVTPSA-N -1 1 382.432 0.472 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575632179 950793023 /nfs/dbraw/zinc/79/30/23/950793023.db2.gz CZBYWEXYGKQJPU-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575632179 950793039 /nfs/dbraw/zinc/79/30/39/950793039.db2.gz CZBYWEXYGKQJPU-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575930655 950795254 /nfs/dbraw/zinc/79/52/54/950795254.db2.gz FUBSWHWEWUDDSX-RKDXNWHRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575930655 950795261 /nfs/dbraw/zinc/79/52/61/950795261.db2.gz FUBSWHWEWUDDSX-RKDXNWHRSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc2ccccn21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765684 950798242 /nfs/dbraw/zinc/79/82/42/950798242.db2.gz JLZTWGCASWSZIN-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc2ccccn21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765684 950798259 /nfs/dbraw/zinc/79/82/59/950798259.db2.gz JLZTWGCASWSZIN-NSHDSACASA-N -1 1 378.400 0.877 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576218914 950798736 /nfs/dbraw/zinc/79/87/36/950798736.db2.gz RWWKNMCATWBVQB-QWRGUYRKSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3cnc(-c4nnn[n-]4)cn3)c2C1 ZINC001576219077 950801264 /nfs/dbraw/zinc/80/12/64/950801264.db2.gz SFJIPBGWEVQDEC-SNVBAGLBSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3cnc(-c4nn[n-]n4)cn3)c2C1 ZINC001576219077 950801281 /nfs/dbraw/zinc/80/12/81/950801281.db2.gz SFJIPBGWEVQDEC-SNVBAGLBSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576219205 950806573 /nfs/dbraw/zinc/80/65/73/950806573.db2.gz SSWAIGOWOMJFNB-MEBBXXQBSA-N -1 1 382.432 0.298 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575931964 950816877 /nfs/dbraw/zinc/81/68/77/950816877.db2.gz KEGMOUCPEGNPNQ-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575931964 950816905 /nfs/dbraw/zinc/81/69/05/950816905.db2.gz KEGMOUCPEGNPNQ-AAEUAGOBSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574766691 950823964 /nfs/dbraw/zinc/82/39/64/950823964.db2.gz KJCLDGYMMUPQCV-RXMQYKEDSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@H]1CCc2nc(C(=O)N(C)CCNc3ccnc(-c4nn[n-]n4)n3)cn2C1 ZINC001576220955 950840794 /nfs/dbraw/zinc/84/07/94/950840794.db2.gz YEFUFVVAJDISAW-NSHDSACASA-N -1 1 382.432 0.042 20 0 GCADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575933736 950845857 /nfs/dbraw/zinc/84/58/57/950845857.db2.gz PMBXLZBGULDMLB-NTSWFWBYSA-N -1 1 380.825 0.810 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221302 950853616 /nfs/dbraw/zinc/85/36/16/950853616.db2.gz ZGGCNLYBTAFNGY-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221302 950853639 /nfs/dbraw/zinc/85/36/39/950853639.db2.gz ZGGCNLYBTAFNGY-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576221344 950854098 /nfs/dbraw/zinc/85/40/98/950854098.db2.gz ZZBREWOOLZXGRK-MEBBXXQBSA-N -1 1 382.432 0.616 20 0 GCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576221344 950854123 /nfs/dbraw/zinc/85/41/23/950854123.db2.gz ZZBREWOOLZXGRK-MEBBXXQBSA-N -1 1 382.432 0.616 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573887709 950858017 /nfs/dbraw/zinc/85/80/17/950858017.db2.gz JRRVYXFDMXIMDP-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573887709 950858035 /nfs/dbraw/zinc/85/80/35/950858035.db2.gz JRRVYXFDMXIMDP-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576221577 950858497 /nfs/dbraw/zinc/85/84/97/950858497.db2.gz VRQHXMHKLICKLO-NXEZZACHSA-N -1 1 378.387 0.773 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575934755 950865560 /nfs/dbraw/zinc/86/55/60/950865560.db2.gz TVIRKMZQNGLVHR-ZYHUDNBSSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnn2c1CCC2 ZINC001575934755 950865575 /nfs/dbraw/zinc/86/55/75/950865575.db2.gz TVIRKMZQNGLVHR-ZYHUDNBSSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001576222420 950870985 /nfs/dbraw/zinc/87/09/85/950870985.db2.gz YXFQKZARAZBWGU-RQJHMYQMSA-N -1 1 384.853 0.358 20 0 GCADMM C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576222420 950870998 /nfs/dbraw/zinc/87/09/98/950870998.db2.gz YXFQKZARAZBWGU-RQJHMYQMSA-N -1 1 384.853 0.358 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575639870 950878051 /nfs/dbraw/zinc/87/80/51/950878051.db2.gz CDNKCBSTJDAFDM-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575639870 950878069 /nfs/dbraw/zinc/87/80/69/950878069.db2.gz CDNKCBSTJDAFDM-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574768059 950879917 /nfs/dbraw/zinc/87/99/17/950879917.db2.gz XGXVUQSUFXKLDW-SNVBAGLBSA-N -1 1 383.416 0.592 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001573893454 950885231 /nfs/dbraw/zinc/88/52/31/950885231.db2.gz GQUXZWUJYRLWQP-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001573893454 950885245 /nfs/dbraw/zinc/88/52/45/950885245.db2.gz GQUXZWUJYRLWQP-SNVBAGLBSA-N -1 1 383.420 0.012 20 0 GCADMM CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2cc(F)cc(-c3nn[nH]n3)c2)n1 ZINC001573893558 950890820 /nfs/dbraw/zinc/89/08/20/950890820.db2.gz LBGRZZNDSDNIDZ-UHFFFAOYSA-N -1 1 381.397 0.226 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935886 950900855 /nfs/dbraw/zinc/90/08/55/950900855.db2.gz BQAVTFSCJVXAMJ-CABZTGNLSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575935886 950900874 /nfs/dbraw/zinc/90/08/74/950900874.db2.gz BQAVTFSCJVXAMJ-CABZTGNLSA-N -1 1 380.416 0.972 20 0 GCADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574527664 950901015 /nfs/dbraw/zinc/90/10/15/950901015.db2.gz FPCLPZSCPBBBNB-NXEZZACHSA-N -1 1 384.400 0.622 20 0 GCADMM CC1(C)C[C@@H](NC(=O)c2cnon2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575640834 950904739 /nfs/dbraw/zinc/90/47/39/950904739.db2.gz LGMQOVZAZYGMDR-JTQLQIEISA-N -1 1 384.404 0.465 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227473 950909606 /nfs/dbraw/zinc/90/96/06/950909606.db2.gz CYLDSVDZZWWEPJ-RYUDHWBXSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227473 950909623 /nfs/dbraw/zinc/90/96/23/950909623.db2.gz CYLDSVDZZWWEPJ-RYUDHWBXSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576227462 950909949 /nfs/dbraw/zinc/90/99/49/950909949.db2.gz CTRDXQCMLDDWHA-VXGBXAGGSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576227462 950909963 /nfs/dbraw/zinc/90/99/63/950909963.db2.gz CTRDXQCMLDDWHA-VXGBXAGGSA-N -1 1 390.423 0.682 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001575641185 950915975 /nfs/dbraw/zinc/91/59/75/950915975.db2.gz AXYJQQSCQHHCPF-STQMWFEESA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001575641185 950915998 /nfs/dbraw/zinc/91/59/98/950915998.db2.gz AXYJQQSCQHHCPF-STQMWFEESA-N -1 1 386.460 0.493 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001573894132 950922745 /nfs/dbraw/zinc/92/27/45/950922745.db2.gz NFBLKTHIKHUQAS-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001573894132 950922755 /nfs/dbraw/zinc/92/27/55/950922755.db2.gz NFBLKTHIKHUQAS-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccnn1C ZINC001575936694 950923262 /nfs/dbraw/zinc/92/32/62/950923262.db2.gz HRIGFHJRDVPQHP-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccnn1C ZINC001575936694 950923282 /nfs/dbraw/zinc/92/32/82/950923282.db2.gz HRIGFHJRDVPQHP-WCQYABFASA-N -1 1 382.432 0.424 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573894130 950923230 /nfs/dbraw/zinc/92/32/30/950923230.db2.gz NAUCUSKFQCFGMD-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573894130 950923249 /nfs/dbraw/zinc/92/32/49/950923249.db2.gz NAUCUSKFQCFGMD-NSHDSACASA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001573894481 950929221 /nfs/dbraw/zinc/92/92/21/950929221.db2.gz SMVMCELKJWUYRC-UHFFFAOYSA-N -1 1 382.432 0.571 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001573894659 950932391 /nfs/dbraw/zinc/93/23/91/950932391.db2.gz WOPVLYPDNYOUIA-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1cc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001573894659 950932411 /nfs/dbraw/zinc/93/24/11/950932411.db2.gz WOPVLYPDNYOUIA-UHFFFAOYSA-N -1 1 382.432 0.983 20 0 GCADMM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001573894679 950932573 /nfs/dbraw/zinc/93/25/73/950932573.db2.gz XPMIEEXENGHYNY-GFCCVEGCSA-N -1 1 382.432 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(F)F ZINC001573896630 950947517 /nfs/dbraw/zinc/94/75/17/950947517.db2.gz IXBRZCAMOOWOSZ-VIFPVBQESA-N -1 1 384.391 0.039 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575937679 950953853 /nfs/dbraw/zinc/95/38/53/950953853.db2.gz LEOSDGVBBWGNHH-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575937679 950953869 /nfs/dbraw/zinc/95/38/69/950953869.db2.gz LEOSDGVBBWGNHH-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573897212 950956573 /nfs/dbraw/zinc/95/65/73/950956573.db2.gz MJZDFCMCBFLEKN-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573897212 950956585 /nfs/dbraw/zinc/95/65/85/950956585.db2.gz MJZDFCMCBFLEKN-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(F)F ZINC001573897469 950961069 /nfs/dbraw/zinc/96/10/69/950961069.db2.gz QCIQFXNSFQPNTN-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC(C)(CC(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(F)F ZINC001573897469 950961087 /nfs/dbraw/zinc/96/10/87/950961087.db2.gz QCIQFXNSFQPNTN-SECBINFHSA-N -1 1 384.391 0.617 20 0 GCADMM CC1(C)C[C@@]1(C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001575643177 950962265 /nfs/dbraw/zinc/96/22/65/950962265.db2.gz ZGGRFBCOXCPUIT-IBGZPJMESA-N -1 1 395.423 0.613 20 0 GCADMM C[C@H]1C[C@H](C(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001575938016 950964370 /nfs/dbraw/zinc/96/43/70/950964370.db2.gz IIFDIMCPVYMSKI-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575016852 950965232 /nfs/dbraw/zinc/96/52/32/950965232.db2.gz AYKBSBPUGQSKNW-LBPRGKRZSA-N -1 1 390.411 0.495 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573897806 950966317 /nfs/dbraw/zinc/96/63/17/950966317.db2.gz SXMHHUANQLEABG-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573897806 950966333 /nfs/dbraw/zinc/96/63/33/950966333.db2.gz SXMHHUANQLEABG-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573898157 950974631 /nfs/dbraw/zinc/97/46/31/950974631.db2.gz YJMWJKIOWGQBHB-GOSISDBHSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643866 950980363 /nfs/dbraw/zinc/98/03/63/950980363.db2.gz PQVOJGQCELDMFV-OLZOCXBDSA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643866 950980386 /nfs/dbraw/zinc/98/03/86/950980386.db2.gz PQVOJGQCELDMFV-OLZOCXBDSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001575938478 950981556 /nfs/dbraw/zinc/98/15/56/950981556.db2.gz NYXARVCCPORSNN-KOLCDFICSA-N -1 1 391.399 0.643 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc2[nH]cnc21 ZINC001575938478 950981570 /nfs/dbraw/zinc/98/15/70/950981570.db2.gz NYXARVCCPORSNN-KOLCDFICSA-N -1 1 391.399 0.643 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573899681 950982044 /nfs/dbraw/zinc/98/20/44/950982044.db2.gz IPSGBVKEYFFLJZ-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575939026 951001626 /nfs/dbraw/zinc/00/16/26/951001626.db2.gz POBJOVDMFMKAGV-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575939026 951001646 /nfs/dbraw/zinc/00/16/46/951001646.db2.gz POBJOVDMFMKAGV-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573900384 951003300 /nfs/dbraw/zinc/00/33/00/951003300.db2.gz ZBVVDFWEVUTRMI-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573900384 951003325 /nfs/dbraw/zinc/00/33/25/951003325.db2.gz ZBVVDFWEVUTRMI-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001575939105 951004109 /nfs/dbraw/zinc/00/41/09/951004109.db2.gz PAEILLRMZMTILC-OLZOCXBDSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@H]1C[C@H](C(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCO1 ZINC001575939022 951004505 /nfs/dbraw/zinc/00/45/05/951004505.db2.gz OEQQCVIXNQVTQR-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1C[C@H](C(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCO1 ZINC001575939022 951004528 /nfs/dbraw/zinc/00/45/28/951004528.db2.gz OEQQCVIXNQVTQR-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575019201 951035228 /nfs/dbraw/zinc/03/52/28/951035228.db2.gz SAWBJZPJFHESQN-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575019201 951035247 /nfs/dbraw/zinc/03/52/47/951035247.db2.gz SAWBJZPJFHESQN-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001575020136 951050513 /nfs/dbraw/zinc/05/05/13/951050513.db2.gz YXYUFUAUCUYZRV-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001575020136 951050521 /nfs/dbraw/zinc/05/05/21/951050521.db2.gz YXYUFUAUCUYZRV-JTQLQIEISA-N -1 1 381.400 0.234 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575020181 951053186 /nfs/dbraw/zinc/05/31/86/951053186.db2.gz ZOHZZQKBWAUHRP-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575020181 951053198 /nfs/dbraw/zinc/05/31/98/951053198.db2.gz ZOHZZQKBWAUHRP-JTQLQIEISA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575021032 951056787 /nfs/dbraw/zinc/05/67/87/951056787.db2.gz AKHUFWRFTYUOEM-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575021032 951056798 /nfs/dbraw/zinc/05/67/98/951056798.db2.gz AKHUFWRFTYUOEM-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM CCOC(=O)c1cc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])on1 ZINC001591091866 951058322 /nfs/dbraw/zinc/05/83/22/951058322.db2.gz IZYMRWWFFWCEII-MWLCHTKSSA-N -1 1 393.318 0.947 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575022697 951069247 /nfs/dbraw/zinc/06/92/47/951069247.db2.gz IJRRCWLHIXRZJO-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575022697 951069258 /nfs/dbraw/zinc/06/92/58/951069258.db2.gz IJRRCWLHIXRZJO-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575022694 951071052 /nfs/dbraw/zinc/07/10/52/951071052.db2.gz IJRRCWLHIXRZJO-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575022694 951071060 /nfs/dbraw/zinc/07/10/60/951071060.db2.gz IJRRCWLHIXRZJO-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM CCOC(=O)c1ccc(F)c(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1 ZINC001591170152 951075349 /nfs/dbraw/zinc/07/53/49/951075349.db2.gz DJGBJUJBPPPUSN-UHFFFAOYSA-N -1 1 376.406 0.639 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575023229 951076622 /nfs/dbraw/zinc/07/66/22/951076622.db2.gz KSVUFMQRPCAOTK-QMMMGPOBSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575023281 951076858 /nfs/dbraw/zinc/07/68/58/951076858.db2.gz MBNUEVBXCCESBG-NSHDSACASA-N -1 1 379.428 0.829 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024373 951102605 /nfs/dbraw/zinc/10/26/05/951102605.db2.gz CFNIVMGTSGEROW-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024373 951102617 /nfs/dbraw/zinc/10/26/17/951102617.db2.gz CFNIVMGTSGEROW-LLVKDONJSA-N -1 1 380.412 0.960 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024713 951113475 /nfs/dbraw/zinc/11/34/75/951113475.db2.gz LCKHECUDPWNFOJ-LLVKDONJSA-N -1 1 380.412 0.587 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024780 951115706 /nfs/dbraw/zinc/11/57/06/951115706.db2.gz MOQYREYIKWRCFQ-NSHDSACASA-N -1 1 382.432 0.018 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025143 951128661 /nfs/dbraw/zinc/12/86/61/951128661.db2.gz VXQQOKPQGQOVPD-SECBINFHSA-N -1 1 383.372 0.053 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025143 951128665 /nfs/dbraw/zinc/12/86/65/951128665.db2.gz VXQQOKPQGQOVPD-SECBINFHSA-N -1 1 383.372 0.053 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025362 951130166 /nfs/dbraw/zinc/13/01/66/951130166.db2.gz YJBABZWDGCRRRC-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025362 951130173 /nfs/dbraw/zinc/13/01/73/951130173.db2.gz YJBABZWDGCRRRC-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1ccc2cnccc2n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025795 951133524 /nfs/dbraw/zinc/13/35/24/951133524.db2.gz ANAKFIJDURGGEX-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1ccc2cnccc2n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025795 951133530 /nfs/dbraw/zinc/13/35/30/951133530.db2.gz ANAKFIJDURGGEX-SNVBAGLBSA-N -1 1 376.384 0.830 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575026162 951139158 /nfs/dbraw/zinc/13/91/58/951139158.db2.gz FRMOLXIOFYVVRP-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575026162 951139165 /nfs/dbraw/zinc/13/91/65/951139165.db2.gz FRMOLXIOFYVVRP-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575028197 951170646 /nfs/dbraw/zinc/17/06/46/951170646.db2.gz MCYKGCRFPCTEQU-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1OCCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575028197 951170649 /nfs/dbraw/zinc/17/06/49/951170649.db2.gz MCYKGCRFPCTEQU-JTQLQIEISA-N -1 1 382.384 0.658 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028652 951177574 /nfs/dbraw/zinc/17/75/74/951177574.db2.gz PGVRMAHIMHZMDI-NSHDSACASA-N -1 1 380.412 0.382 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575029293 951185462 /nfs/dbraw/zinc/18/54/62/951185462.db2.gz SIOUAKVOYNTDNC-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575029293 951185469 /nfs/dbraw/zinc/18/54/69/951185469.db2.gz SIOUAKVOYNTDNC-LBPRGKRZSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575031954 951209822 /nfs/dbraw/zinc/20/98/22/951209822.db2.gz MVRRGFUIWLIILS-NSHDSACASA-N -1 1 382.432 0.018 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575033964 951234785 /nfs/dbraw/zinc/23/47/85/951234785.db2.gz FPBJDFBEWQUOPX-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575034052 951238267 /nfs/dbraw/zinc/23/82/67/951238267.db2.gz HZGVJOIUJUFIQJ-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575034052 951238274 /nfs/dbraw/zinc/23/82/74/951238274.db2.gz HZGVJOIUJUFIQJ-MRVPVSSYSA-N -1 1 378.347 0.349 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575034718 951253400 /nfs/dbraw/zinc/25/34/00/951253400.db2.gz CIBZILMMOZWCAT-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575034718 951253412 /nfs/dbraw/zinc/25/34/12/951253412.db2.gz CIBZILMMOZWCAT-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575035088 951267440 /nfs/dbraw/zinc/26/74/40/951267440.db2.gz URQSYODBDLIPHV-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575035088 951267455 /nfs/dbraw/zinc/26/74/55/951267455.db2.gz URQSYODBDLIPHV-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575035630 951279367 /nfs/dbraw/zinc/27/93/67/951279367.db2.gz ZQTRRFVKGFWECQ-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575035630 951279379 /nfs/dbraw/zinc/27/93/79/951279379.db2.gz ZQTRRFVKGFWECQ-SECBINFHSA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(-n2ccnc2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575035823 951284875 /nfs/dbraw/zinc/28/48/75/951284875.db2.gz MHDUEWBSXRNYMU-NSHDSACASA-N -1 1 391.399 0.468 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575036279 951293054 /nfs/dbraw/zinc/29/30/54/951293054.db2.gz QPVHKDNMTBEYNG-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575036279 951293065 /nfs/dbraw/zinc/29/30/65/951293065.db2.gz QPVHKDNMTBEYNG-MRVPVSSYSA-N -1 1 378.347 0.726 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575036940 951303964 /nfs/dbraw/zinc/30/39/64/951303964.db2.gz ZAGYUZYRSHRDKS-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575036940 951303974 /nfs/dbraw/zinc/30/39/74/951303974.db2.gz ZAGYUZYRSHRDKS-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575037649 951307126 /nfs/dbraw/zinc/30/71/26/951307126.db2.gz CIBXKXLDOPCKEX-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575037649 951307139 /nfs/dbraw/zinc/30/71/39/951307139.db2.gz CIBXKXLDOPCKEX-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575041762 951350231 /nfs/dbraw/zinc/35/02/31/951350231.db2.gz BNKGGBJLYBNERA-MRVPVSSYSA-N -1 1 392.374 0.228 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575042401 951362366 /nfs/dbraw/zinc/36/23/66/951362366.db2.gz JFFWCBXAOAHYPZ-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575042401 951362379 /nfs/dbraw/zinc/36/23/79/951362379.db2.gz JFFWCBXAOAHYPZ-LLVKDONJSA-N -1 1 384.448 0.992 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575042958 951375623 /nfs/dbraw/zinc/37/56/23/951375623.db2.gz DVDKPRGCRCKNDN-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575042958 951375630 /nfs/dbraw/zinc/37/56/30/951375630.db2.gz DVDKPRGCRCKNDN-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575043075 951378674 /nfs/dbraw/zinc/37/86/74/951378674.db2.gz ODHFHRQHIBDWAJ-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575043075 951378687 /nfs/dbraw/zinc/37/86/87/951378687.db2.gz ODHFHRQHIBDWAJ-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575043281 951385320 /nfs/dbraw/zinc/38/53/20/951385320.db2.gz POCSBLNBDAOCJZ-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575043281 951385338 /nfs/dbraw/zinc/38/53/38/951385338.db2.gz POCSBLNBDAOCJZ-JTQLQIEISA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575043416 951393187 /nfs/dbraw/zinc/39/31/87/951393187.db2.gz ITFKWSYEASAYSK-JTQLQIEISA-N -1 1 382.432 0.975 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575043416 951393204 /nfs/dbraw/zinc/39/32/04/951393204.db2.gz ITFKWSYEASAYSK-JTQLQIEISA-N -1 1 382.432 0.975 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575043417 951393445 /nfs/dbraw/zinc/39/34/45/951393445.db2.gz ITFKWSYEASAYSK-SNVBAGLBSA-N -1 1 382.432 0.975 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575043417 951393454 /nfs/dbraw/zinc/39/34/54/951393454.db2.gz ITFKWSYEASAYSK-SNVBAGLBSA-N -1 1 382.432 0.975 20 0 GCADMM C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043442 951394514 /nfs/dbraw/zinc/39/45/14/951394514.db2.gz JHICKJFUMQMVPY-JOYOIKCWSA-N -1 1 384.404 0.462 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575043613 951401260 /nfs/dbraw/zinc/40/12/60/951401260.db2.gz KTCBWJDKUZZDGD-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575043613 951401265 /nfs/dbraw/zinc/40/12/65/951401265.db2.gz KTCBWJDKUZZDGD-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575043819 951401874 /nfs/dbraw/zinc/40/18/74/951401874.db2.gz VTPDOSWOPLZKJO-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575043819 951401881 /nfs/dbraw/zinc/40/18/81/951401881.db2.gz VTPDOSWOPLZKJO-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575043720 951402177 /nfs/dbraw/zinc/40/21/77/951402177.db2.gz MMLHGSOCRPUDAY-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575043720 951402189 /nfs/dbraw/zinc/40/21/89/951402189.db2.gz MMLHGSOCRPUDAY-SNVBAGLBSA-N -1 1 380.416 0.802 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575043982 951408420 /nfs/dbraw/zinc/40/84/20/951408420.db2.gz XOFMZZZOSZHIOF-JTQLQIEISA-N -1 1 383.420 0.228 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575043982 951408432 /nfs/dbraw/zinc/40/84/32/951408432.db2.gz XOFMZZZOSZHIOF-JTQLQIEISA-N -1 1 383.420 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044774 951417251 /nfs/dbraw/zinc/41/72/51/951417251.db2.gz UYZSODYRGMMASP-SNVBAGLBSA-N -1 1 382.432 0.975 20 0 GCADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044774 951417260 /nfs/dbraw/zinc/41/72/60/951417260.db2.gz UYZSODYRGMMASP-SNVBAGLBSA-N -1 1 382.432 0.975 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575046531 951443969 /nfs/dbraw/zinc/44/39/69/951443969.db2.gz OVCPEUPJVAZUCG-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575046531 951443978 /nfs/dbraw/zinc/44/39/78/951443978.db2.gz OVCPEUPJVAZUCG-SNVBAGLBSA-N -1 1 380.416 0.579 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575051919 951456893 /nfs/dbraw/zinc/45/68/93/951456893.db2.gz AVTADCITUYCWQN-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575051919 951456902 /nfs/dbraw/zinc/45/69/02/951456902.db2.gz AVTADCITUYCWQN-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052226 951461436 /nfs/dbraw/zinc/46/14/36/951461436.db2.gz GIPUEHOEJYRNKH-NSHDSACASA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052226 951461442 /nfs/dbraw/zinc/46/14/42/951461442.db2.gz GIPUEHOEJYRNKH-NSHDSACASA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575052435 951463760 /nfs/dbraw/zinc/46/37/60/951463760.db2.gz JGTXOBONICGZGW-LLVKDONJSA-N -1 1 382.432 0.518 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575052435 951463771 /nfs/dbraw/zinc/46/37/71/951463771.db2.gz JGTXOBONICGZGW-LLVKDONJSA-N -1 1 382.432 0.518 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575052755 951470728 /nfs/dbraw/zinc/47/07/28/951470728.db2.gz NSDXGSMLPDHLLE-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575052755 951470732 /nfs/dbraw/zinc/47/07/32/951470732.db2.gz NSDXGSMLPDHLLE-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)n1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575053107 951474827 /nfs/dbraw/zinc/47/48/27/951474827.db2.gz QPMJZGYCWLKHET-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1coc(-c2cccnc2)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575053390 951479075 /nfs/dbraw/zinc/47/90/75/951479075.db2.gz BWZFBUYIDZUIJP-SNVBAGLBSA-N -1 1 392.383 0.359 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575053713 951481251 /nfs/dbraw/zinc/48/12/51/951481251.db2.gz UVWXCBMDYXEMKS-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575053713 951481256 /nfs/dbraw/zinc/48/12/56/951481256.db2.gz UVWXCBMDYXEMKS-QMMMGPOBSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575054298 951492162 /nfs/dbraw/zinc/49/21/62/951492162.db2.gz IBWQAALIZGQSAL-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575054298 951492170 /nfs/dbraw/zinc/49/21/70/951492170.db2.gz IBWQAALIZGQSAL-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575054689 951495825 /nfs/dbraw/zinc/49/58/25/951495825.db2.gz JYSHYJCHCQMOGY-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575055358 951504010 /nfs/dbraw/zinc/50/40/10/951504010.db2.gz RLJJWWFXPMPINP-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575055358 951504015 /nfs/dbraw/zinc/50/40/15/951504015.db2.gz RLJJWWFXPMPINP-NSHDSACASA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575056310 951518875 /nfs/dbraw/zinc/51/88/75/951518875.db2.gz HCRJHEHWZBWGTN-JTQLQIEISA-N -1 1 383.416 0.852 20 0 GCADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575056310 951518882 /nfs/dbraw/zinc/51/88/82/951518882.db2.gz HCRJHEHWZBWGTN-JTQLQIEISA-N -1 1 383.416 0.852 20 0 GCADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575056986 951525951 /nfs/dbraw/zinc/52/59/51/951525951.db2.gz NNHNNQGZAXZFCU-SNVBAGLBSA-N -1 1 383.416 0.812 20 0 GCADMM C[C@@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575058843 951534683 /nfs/dbraw/zinc/53/46/83/951534683.db2.gz VULHSRUCIJTGKV-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575058843 951534689 /nfs/dbraw/zinc/53/46/89/951534689.db2.gz VULHSRUCIJTGKV-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575064697 951575424 /nfs/dbraw/zinc/57/54/24/951575424.db2.gz CLNUDVMCXSTNHE-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575064697 951575429 /nfs/dbraw/zinc/57/54/29/951575429.db2.gz CLNUDVMCXSTNHE-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575064628 951577477 /nfs/dbraw/zinc/57/74/77/951577477.db2.gz BONRDSTYTVPYKB-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575064628 951577486 /nfs/dbraw/zinc/57/74/86/951577486.db2.gz BONRDSTYTVPYKB-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1nccnc1N)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575066567 951598195 /nfs/dbraw/zinc/59/81/95/951598195.db2.gz GWDZNLMEGNKBHL-RXMQYKEDSA-N -1 1 380.825 0.579 20 0 GCADMM C[C@H](CNC(=O)c1nccnc1N)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575066567 951598200 /nfs/dbraw/zinc/59/82/00/951598200.db2.gz GWDZNLMEGNKBHL-RXMQYKEDSA-N -1 1 380.825 0.579 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067316 951609104 /nfs/dbraw/zinc/60/91/04/951609104.db2.gz REXVXBUNKHMYAD-JTQLQIEISA-N -1 1 384.400 0.800 20 0 GCADMM C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067316 951609111 /nfs/dbraw/zinc/60/91/11/951609111.db2.gz REXVXBUNKHMYAD-JTQLQIEISA-N -1 1 384.400 0.800 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2ccccn21)CNc1nccnc1-c1nnn[n-]1 ZINC001575067648 951618128 /nfs/dbraw/zinc/61/81/28/951618128.db2.gz NOENSFHENOQINV-LLVKDONJSA-N -1 1 378.400 0.782 20 0 GCADMM C[C@@H](CNC(=O)c1ncc2ccccn21)CNc1nccnc1-c1nn[n-]n1 ZINC001575067648 951618135 /nfs/dbraw/zinc/61/81/35/951618135.db2.gz NOENSFHENOQINV-LLVKDONJSA-N -1 1 378.400 0.782 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575067749 951621820 /nfs/dbraw/zinc/62/18/20/951621820.db2.gz XOAMOLAPNXYYMZ-ONGXEEELSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575067749 951621824 /nfs/dbraw/zinc/62/18/24/951621824.db2.gz XOAMOLAPNXYYMZ-ONGXEEELSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067939 951628311 /nfs/dbraw/zinc/62/83/11/951628311.db2.gz SOONAPRTHVIYII-SNVBAGLBSA-N -1 1 385.432 0.842 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C)n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575068032 951629258 /nfs/dbraw/zinc/62/92/58/951629258.db2.gz VUUXUWHVGVBOIL-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C)n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575068032 951629262 /nfs/dbraw/zinc/62/92/62/951629262.db2.gz VUUXUWHVGVBOIL-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1scc2c1OCCO2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575069500 951643273 /nfs/dbraw/zinc/64/32/73/951643273.db2.gz JOEBDTIUHDTQAG-QMMMGPOBSA-N -1 1 388.413 0.142 20 0 GCADMM C[C@H](CNC(=O)c1scnc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575070621 951651784 /nfs/dbraw/zinc/65/17/84/951651784.db2.gz SPGXVUFFUDXNMT-ZCFIWIBFSA-N -1 1 381.372 0.703 20 0 GCADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575071236 951656949 /nfs/dbraw/zinc/65/69/49/951656949.db2.gz YVJLBQCVYCMRCL-VIFPVBQESA-N -1 1 388.461 0.532 20 0 GCADMM O=C([O-])CN1CCC[C@@H](C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1=O ZINC001595083786 951711270 /nfs/dbraw/zinc/71/12/70/951711270.db2.gz RKPAVPKSSZGWEA-LBPRGKRZSA-N -1 1 375.360 0.550 20 0 GCADMM O=C([O-])CN1CCC[C@@H](C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1=O ZINC001595083786 951711277 /nfs/dbraw/zinc/71/12/77/951711277.db2.gz RKPAVPKSSZGWEA-LBPRGKRZSA-N -1 1 375.360 0.550 20 0 GCADMM CC(C)(C)OC(=O)N1CCN([C@@H]2CCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)CC1 ZINC001602888849 971789524 /nfs/dbraw/zinc/78/95/24/971789524.db2.gz MQIDSNJFAINPTF-CABCVRRESA-N -1 1 396.488 0.299 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575128450 952069608 /nfs/dbraw/zinc/06/96/08/952069608.db2.gz ITYSKULPBKUUAM-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575128450 952069614 /nfs/dbraw/zinc/06/96/14/952069614.db2.gz ITYSKULPBKUUAM-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575129023 952074444 /nfs/dbraw/zinc/07/44/44/952074444.db2.gz OWFARGBCBCHYLW-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575129023 952074452 /nfs/dbraw/zinc/07/44/52/952074452.db2.gz OWFARGBCBCHYLW-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COCc1cccnc1 ZINC001575132162 952091308 /nfs/dbraw/zinc/09/13/08/952091308.db2.gz DDMOUOVSIAUCFD-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COCc1cccnc1 ZINC001575132162 952091318 /nfs/dbraw/zinc/09/13/18/952091318.db2.gz DDMOUOVSIAUCFD-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575133287 952102717 /nfs/dbraw/zinc/10/27/17/952102717.db2.gz DFTFEDYNAJJSHE-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575133287 952102721 /nfs/dbraw/zinc/10/27/21/952102721.db2.gz DFTFEDYNAJJSHE-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575133514 952103356 /nfs/dbraw/zinc/10/33/56/952103356.db2.gz KOYJIUUEVUVFKG-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575133514 952103359 /nfs/dbraw/zinc/10/33/59/952103359.db2.gz KOYJIUUEVUVFKG-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NCc2n[nH]c(C3CC3)n2)C1 ZINC001602892153 971804079 /nfs/dbraw/zinc/80/40/79/971804079.db2.gz GIZKOWNDCDSHGL-KRWDZBQOSA-N -1 1 395.416 0.389 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575135307 952116873 /nfs/dbraw/zinc/11/68/73/952116873.db2.gz QIJGCASVOOQODC-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575135307 952116882 /nfs/dbraw/zinc/11/68/82/952116882.db2.gz QIJGCASVOOQODC-VIFPVBQESA-N -1 1 376.812 0.466 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1nnc2ccccc2n1 ZINC001575135730 952119140 /nfs/dbraw/zinc/11/91/40/952119140.db2.gz NEUQKKWEBHXISD-JTQLQIEISA-N -1 1 391.399 0.568 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1nnc2ccccc2n1 ZINC001575135730 952119145 /nfs/dbraw/zinc/11/91/45/952119145.db2.gz NEUQKKWEBHXISD-JTQLQIEISA-N -1 1 391.399 0.568 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575135559 952119391 /nfs/dbraw/zinc/11/93/91/952119391.db2.gz LKHSQBFXIRHJLW-KPZWWZAWSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575136809 952127246 /nfs/dbraw/zinc/12/72/46/952127246.db2.gz XFXGUSKUCCHIJY-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575136809 952127251 /nfs/dbraw/zinc/12/72/51/952127251.db2.gz XFXGUSKUCCHIJY-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575136962 952131729 /nfs/dbraw/zinc/13/17/29/952131729.db2.gz YKNHOLZJEVNUKX-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575136962 952131734 /nfs/dbraw/zinc/13/17/34/952131734.db2.gz YKNHOLZJEVNUKX-SNVBAGLBSA-N -1 1 375.437 0.078 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1noc2c1COCC2 ZINC001575137238 952136332 /nfs/dbraw/zinc/13/63/32/952136332.db2.gz VQVLSJZUIWMMMY-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1noc2c1COCC2 ZINC001575137238 952136334 /nfs/dbraw/zinc/13/63/34/952136334.db2.gz VQVLSJZUIWMMMY-VIFPVBQESA-N -1 1 385.388 0.290 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575140718 952144045 /nfs/dbraw/zinc/14/40/45/952144045.db2.gz FQAJZTMCLUTSEV-QGZVFWFLSA-N -1 1 382.432 0.131 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575142786 952148120 /nfs/dbraw/zinc/14/81/20/952148120.db2.gz LSPPLNCZQWSYSR-NSHDSACASA-N -1 1 382.432 0.112 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575142785 952148617 /nfs/dbraw/zinc/14/86/17/952148617.db2.gz LSPPLNCZQWSYSR-LLVKDONJSA-N -1 1 382.432 0.112 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575142810 952149658 /nfs/dbraw/zinc/14/96/58/952149658.db2.gz MCKJLRNVYFMWEN-YPMHNXCESA-N -1 1 379.428 0.147 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575143137 952150005 /nfs/dbraw/zinc/15/00/05/952150005.db2.gz NWEXQAUNLQJQPR-SCLBCKFNSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575144498 952167278 /nfs/dbraw/zinc/16/72/78/952167278.db2.gz IZYWFCNXZCQCJS-QMMMGPOBSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575144494 952167313 /nfs/dbraw/zinc/16/73/13/952167313.db2.gz IZYWFCNXZCQCJS-MRVPVSSYSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575144484 952167620 /nfs/dbraw/zinc/16/76/20/952167620.db2.gz IYAVIQFBZYLOSJ-LLVKDONJSA-N -1 1 384.448 0.603 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)COc1ccccc1F ZINC001575144639 952169549 /nfs/dbraw/zinc/16/95/49/952169549.db2.gz WTZKVTNGADDUNU-NSHDSACASA-N -1 1 386.391 0.556 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575144618 952169739 /nfs/dbraw/zinc/16/97/39/952169739.db2.gz JPHVADIAWCKDKW-MRVPVSSYSA-N -1 1 378.347 0.243 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575144878 952173368 /nfs/dbraw/zinc/17/33/68/952173368.db2.gz YXGHGIFCVOWTRX-JTQLQIEISA-N -1 1 388.382 0.858 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575145178 952179591 /nfs/dbraw/zinc/17/95/91/952179591.db2.gz RVEZIEVQUJKXGJ-NSHDSACASA-N -1 1 382.432 0.184 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575145202 952179930 /nfs/dbraw/zinc/17/99/30/952179930.db2.gz SIGQZERKQXOWPE-NSHDSACASA-N -1 1 379.428 0.924 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575145170 952180299 /nfs/dbraw/zinc/18/02/99/952180299.db2.gz RPWIYSNVLZSATR-QMMMGPOBSA-N -1 1 376.812 0.038 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575145291 952181394 /nfs/dbraw/zinc/18/13/94/952181394.db2.gz VHDWPVYTLCXZGO-LLVKDONJSA-N -1 1 382.432 0.112 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575145534 952185590 /nfs/dbraw/zinc/18/55/90/952185590.db2.gz ZMEUZHZDUYSYPX-QMMMGPOBSA-N -1 1 392.374 0.322 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575146859 952198198 /nfs/dbraw/zinc/19/81/98/952198198.db2.gz PDFNFEDRAHNBMJ-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575146859 952198200 /nfs/dbraw/zinc/19/82/00/952198200.db2.gz PDFNFEDRAHNBMJ-DIFFPNOSSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575153393 952208083 /nfs/dbraw/zinc/20/80/83/952208083.db2.gz GVXWGQYHNBEAJK-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575153392 952208178 /nfs/dbraw/zinc/20/81/78/952208178.db2.gz GVXWGQYHNBEAJK-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575153983 952214425 /nfs/dbraw/zinc/21/44/25/952214425.db2.gz NARPNQCXGJAVHL-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575153983 952214430 /nfs/dbraw/zinc/21/44/30/952214430.db2.gz NARPNQCXGJAVHL-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575154109 952216096 /nfs/dbraw/zinc/21/60/96/952216096.db2.gz NXEFPYNCEYKKIY-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575154109 952216103 /nfs/dbraw/zinc/21/61/03/952216103.db2.gz NXEFPYNCEYKKIY-NEPJUHHUSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575154012 952216635 /nfs/dbraw/zinc/21/66/35/952216635.db2.gz NRACDTPKJMRMKK-LSIMKLPESA-N -1 1 384.444 0.921 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575154012 952216640 /nfs/dbraw/zinc/21/66/40/952216640.db2.gz NRACDTPKJMRMKK-LSIMKLPESA-N -1 1 384.444 0.921 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575154605 952228024 /nfs/dbraw/zinc/22/80/24/952228024.db2.gz FOEDGKAWYOIKQP-BMLIUANNSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575154605 952228028 /nfs/dbraw/zinc/22/80/28/952228028.db2.gz FOEDGKAWYOIKQP-BMLIUANNSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575154823 952231206 /nfs/dbraw/zinc/23/12/06/952231206.db2.gz VWWSUDMJGGWZAP-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575154823 952231210 /nfs/dbraw/zinc/23/12/10/952231210.db2.gz VWWSUDMJGGWZAP-JTQLQIEISA-N -1 1 390.839 0.856 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575155076 952234991 /nfs/dbraw/zinc/23/49/91/952234991.db2.gz WEBFOOIMPLGZHC-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575155076 952234999 /nfs/dbraw/zinc/23/49/99/952234999.db2.gz WEBFOOIMPLGZHC-NSHDSACASA-N -1 1 383.416 0.649 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575155873 952245193 /nfs/dbraw/zinc/24/51/93/952245193.db2.gz AOVGLIXTOPTBHS-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575155873 952245198 /nfs/dbraw/zinc/24/51/98/952245198.db2.gz AOVGLIXTOPTBHS-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575155934 952245937 /nfs/dbraw/zinc/24/59/37/952245937.db2.gz AYHSOJQKOKTKIP-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575155934 952245944 /nfs/dbraw/zinc/24/59/44/952245944.db2.gz AYHSOJQKOKTKIP-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575156204 952248332 /nfs/dbraw/zinc/24/83/32/952248332.db2.gz QTXKAMUTFMAIHD-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575156204 952248342 /nfs/dbraw/zinc/24/83/42/952248342.db2.gz QTXKAMUTFMAIHD-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575156417 952251330 /nfs/dbraw/zinc/25/13/30/952251330.db2.gz FMPGMQCGRHOYKV-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575156417 952251335 /nfs/dbraw/zinc/25/13/35/952251335.db2.gz FMPGMQCGRHOYKV-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc2cccnn21 ZINC001575156378 952252344 /nfs/dbraw/zinc/25/23/44/952252344.db2.gz FCJAIQUFFUHICA-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2cccnn21 ZINC001575156378 952252346 /nfs/dbraw/zinc/25/23/46/952252346.db2.gz FCJAIQUFFUHICA-JTQLQIEISA-N -1 1 379.388 0.272 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575157224 952261495 /nfs/dbraw/zinc/26/14/95/952261495.db2.gz YGZABUOAZGLJRK-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575157224 952261496 /nfs/dbraw/zinc/26/14/96/952261496.db2.gz YGZABUOAZGLJRK-INIZCTEOSA-N -1 1 383.420 0.035 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575157317 952262693 /nfs/dbraw/zinc/26/26/93/952262693.db2.gz LDLOMJPEYFVNLA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575157317 952262700 /nfs/dbraw/zinc/26/27/00/952262700.db2.gz LDLOMJPEYFVNLA-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575157269 952263108 /nfs/dbraw/zinc/26/31/08/952263108.db2.gz KPYFNDAZCFKXJK-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575157269 952263112 /nfs/dbraw/zinc/26/31/12/952263112.db2.gz KPYFNDAZCFKXJK-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575157410 952264783 /nfs/dbraw/zinc/26/47/83/952264783.db2.gz MREVRHKVXFZBBO-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575157410 952264787 /nfs/dbraw/zinc/26/47/87/952264787.db2.gz MREVRHKVXFZBBO-LBPRGKRZSA-N -1 1 387.448 0.318 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCOC1CCOCC1 ZINC001575157610 952266117 /nfs/dbraw/zinc/26/61/17/952266117.db2.gz NNPZCCTUOREELN-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCOC1CCOCC1 ZINC001575157610 952266123 /nfs/dbraw/zinc/26/61/23/952266123.db2.gz NNPZCCTUOREELN-GFCCVEGCSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575157596 952266363 /nfs/dbraw/zinc/26/63/63/952266363.db2.gz NJPAHTOCYPYGHL-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575157596 952266370 /nfs/dbraw/zinc/26/63/70/952266370.db2.gz NJPAHTOCYPYGHL-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575157644 952266981 /nfs/dbraw/zinc/26/69/81/952266981.db2.gz NYMAKHFJIPASSL-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575157644 952266984 /nfs/dbraw/zinc/26/69/84/952266984.db2.gz NYMAKHFJIPASSL-RYUDHWBXSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575157937 952267541 /nfs/dbraw/zinc/26/75/41/952267541.db2.gz QKIIQQSKQATFPX-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575157937 952267549 /nfs/dbraw/zinc/26/75/49/952267549.db2.gz QKIIQQSKQATFPX-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cn1ncc2ccccc21 ZINC001575158424 952271278 /nfs/dbraw/zinc/27/12/78/952271278.db2.gz VEYJIXGCMCVKOV-LBPRGKRZSA-N -1 1 392.427 0.965 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cn1ncc2ccccc21 ZINC001575158424 952271282 /nfs/dbraw/zinc/27/12/82/952271282.db2.gz VEYJIXGCMCVKOV-LBPRGKRZSA-N -1 1 392.427 0.965 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1nccn2ccnc12 ZINC001575158464 952271733 /nfs/dbraw/zinc/27/17/33/952271733.db2.gz VQAKUKQIBUKYFW-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1nccn2ccnc12 ZINC001575158464 952271744 /nfs/dbraw/zinc/27/17/44/952271744.db2.gz VQAKUKQIBUKYFW-SNVBAGLBSA-N -1 1 379.388 0.272 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575158592 952273637 /nfs/dbraw/zinc/27/36/37/952273637.db2.gz WOIUGNSCHOJWJU-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575158592 952273643 /nfs/dbraw/zinc/27/36/43/952273643.db2.gz WOIUGNSCHOJWJU-SECBINFHSA-N -1 1 385.388 0.290 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1nnc[nH]1 ZINC001575164321 952292230 /nfs/dbraw/zinc/29/22/30/952292230.db2.gz CZYGODNBJQPCFJ-ZCFIWIBFSA-N -1 1 382.841 0.596 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cn(C)nn1 ZINC001575164734 952298894 /nfs/dbraw/zinc/29/88/94/952298894.db2.gz HAZRQDJOOSQHFQ-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575165902 952315484 /nfs/dbraw/zinc/31/54/84/952315484.db2.gz RARZXKHXDMYQQO-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575173983 952361080 /nfs/dbraw/zinc/36/10/80/952361080.db2.gz DTEXVZXAKCXUGL-FZMZJTMJSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575173983 952361086 /nfs/dbraw/zinc/36/10/86/952361086.db2.gz DTEXVZXAKCXUGL-FZMZJTMJSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575174116 952363225 /nfs/dbraw/zinc/36/32/25/952363225.db2.gz HKLRNDCAJCKPFF-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575174116 952363231 /nfs/dbraw/zinc/36/32/31/952363231.db2.gz HKLRNDCAJCKPFF-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575174117 952363553 /nfs/dbraw/zinc/36/35/53/952363553.db2.gz HKLRNDCAJCKPFF-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575174117 952363562 /nfs/dbraw/zinc/36/35/62/952363562.db2.gz HKLRNDCAJCKPFF-QGZVFWFLSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575174175 952364853 /nfs/dbraw/zinc/36/48/53/952364853.db2.gz ITMVZNJIAWPGIA-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575174175 952364847 /nfs/dbraw/zinc/36/48/47/952364847.db2.gz ITMVZNJIAWPGIA-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575174173 952365047 /nfs/dbraw/zinc/36/50/47/952365047.db2.gz ITMVZNJIAWPGIA-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575174173 952365055 /nfs/dbraw/zinc/36/50/55/952365055.db2.gz ITMVZNJIAWPGIA-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575174172 952366404 /nfs/dbraw/zinc/36/64/04/952366404.db2.gz ITMVZNJIAWPGIA-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575174172 952366413 /nfs/dbraw/zinc/36/64/13/952366413.db2.gz ITMVZNJIAWPGIA-GHMZBOCLSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575174459 952374064 /nfs/dbraw/zinc/37/40/64/952374064.db2.gz OPFDLRWFGBNACE-QGZVFWFLSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575174459 952374071 /nfs/dbraw/zinc/37/40/71/952374071.db2.gz OPFDLRWFGBNACE-QGZVFWFLSA-N -1 1 383.416 0.974 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575174606 952376615 /nfs/dbraw/zinc/37/66/15/952376615.db2.gz AJGSYEIORAKZPR-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575174606 952376621 /nfs/dbraw/zinc/37/66/21/952376621.db2.gz AJGSYEIORAKZPR-MRVPVSSYSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001575174745 952378065 /nfs/dbraw/zinc/37/80/65/952378065.db2.gz RZTZRJIYNZGFAN-LEGAOEIJSA-N -1 1 396.455 0.777 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001575174745 952378071 /nfs/dbraw/zinc/37/80/71/952378071.db2.gz RZTZRJIYNZGFAN-LEGAOEIJSA-N -1 1 396.455 0.777 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575176606 952396580 /nfs/dbraw/zinc/39/65/80/952396580.db2.gz DYYUUCCJRZDKPR-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575176606 952396581 /nfs/dbraw/zinc/39/65/81/952396581.db2.gz DYYUUCCJRZDKPR-QMMMGPOBSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)CCCC(N)=O ZINC001575177185 952398972 /nfs/dbraw/zinc/39/89/72/952398972.db2.gz HAURBUSPCUJBIY-SSDOTTSWSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)CCCC(N)=O ZINC001575177185 952398979 /nfs/dbraw/zinc/39/89/79/952398979.db2.gz HAURBUSPCUJBIY-SSDOTTSWSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575177176 952399761 /nfs/dbraw/zinc/39/97/61/952399761.db2.gz GYLKGSJBRLYBBE-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575177176 952399767 /nfs/dbraw/zinc/39/97/67/952399767.db2.gz GYLKGSJBRLYBBE-SNVBAGLBSA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575178102 952405468 /nfs/dbraw/zinc/40/54/68/952405468.db2.gz KJXRXHZSTKOUHS-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575178102 952405470 /nfs/dbraw/zinc/40/54/70/952405470.db2.gz KJXRXHZSTKOUHS-FPMFFAJLSA-N -1 1 386.460 0.978 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)CCNC(N)=O ZINC001575178281 952406405 /nfs/dbraw/zinc/40/64/05/952406405.db2.gz LSPMWIKVJHLCDA-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)CCNC(N)=O ZINC001575178281 952406408 /nfs/dbraw/zinc/40/64/08/952406408.db2.gz LSPMWIKVJHLCDA-LURJTMIESA-N -1 1 387.857 0.294 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575178276 952406607 /nfs/dbraw/zinc/40/66/07/952406607.db2.gz LSPKUTZZYCKBPG-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575178276 952406611 /nfs/dbraw/zinc/40/66/11/952406611.db2.gz LSPKUTZZYCKBPG-QMMMGPOBSA-N -1 1 378.347 0.821 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575178773 952407889 /nfs/dbraw/zinc/40/78/89/952407889.db2.gz MUKHXBXTRRUBHC-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575178773 952407893 /nfs/dbraw/zinc/40/78/93/952407893.db2.gz MUKHXBXTRRUBHC-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575178738 952408019 /nfs/dbraw/zinc/40/80/19/952408019.db2.gz MAJNYZKLASONMT-YUMQZZPRSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575178738 952408026 /nfs/dbraw/zinc/40/80/26/952408026.db2.gz MAJNYZKLASONMT-YUMQZZPRSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575179443 952410621 /nfs/dbraw/zinc/41/06/21/952410621.db2.gz OVRVUBWTDDVBID-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575179443 952410623 /nfs/dbraw/zinc/41/06/23/952410623.db2.gz OVRVUBWTDDVBID-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575179456 952411712 /nfs/dbraw/zinc/41/17/12/952411712.db2.gz PFPLPHIIKPNEJH-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575179456 952411715 /nfs/dbraw/zinc/41/17/15/952411715.db2.gz PFPLPHIIKPNEJH-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575180539 952417711 /nfs/dbraw/zinc/41/77/11/952417711.db2.gz VTCSJOACUDGTMR-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575180539 952417719 /nfs/dbraw/zinc/41/77/19/952417719.db2.gz VTCSJOACUDGTMR-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575180514 952417934 /nfs/dbraw/zinc/41/79/34/952417934.db2.gz VCEQBZBXOMZVAA-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575180514 952417936 /nfs/dbraw/zinc/41/79/36/952417936.db2.gz VCEQBZBXOMZVAA-NSHDSACASA-N -1 1 382.432 0.836 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575180961 952421195 /nfs/dbraw/zinc/42/11/95/952421195.db2.gz YSXNDACDLPPJQY-RITPCOANSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575180961 952421199 /nfs/dbraw/zinc/42/11/99/952421199.db2.gz YSXNDACDLPPJQY-RITPCOANSA-N -1 1 386.825 0.344 20 0 GCADMM CC(C)(C)OC(=O)NC1CCN(CCNC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001602903440 971833533 /nfs/dbraw/zinc/83/35/33/971833533.db2.gz PCISXZPBFXIRMZ-GOSISDBHSA-N -1 1 385.461 0.726 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001575188468 952447810 /nfs/dbraw/zinc/44/78/10/952447810.db2.gz ILQNCUUZTUVGOB-VXGBXAGGSA-N -1 1 386.416 0.360 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001575188468 952447813 /nfs/dbraw/zinc/44/78/13/952447813.db2.gz ILQNCUUZTUVGOB-VXGBXAGGSA-N -1 1 386.416 0.360 20 0 GCADMM Cn1c(=O)[nH]c(NC[C@@H](CO)Cc2ccc(F)cc2)c(-c2nn[n-]n2)c1=O ZINC001571114284 952451830 /nfs/dbraw/zinc/45/18/30/952451830.db2.gz FWRMYJXZIXQQLH-JTQLQIEISA-N -1 1 375.364 0.068 20 0 GCADMM COc1ncc(NC(=O)CNC(=O)OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC001571114354 952453107 /nfs/dbraw/zinc/45/31/07/952453107.db2.gz HOHBIEMHWGFWTA-UHFFFAOYSA-N -1 1 375.267 0.497 20 0 GCADMM CS(=O)(=O)N1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001571116612 952475816 /nfs/dbraw/zinc/47/58/16/952475816.db2.gz AKAVHEUNGXRMSZ-SECBINFHSA-N -1 1 375.414 0.112 20 0 GCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCC[C@H](n2ccnn2)CC1 ZINC001571116647 952476502 /nfs/dbraw/zinc/47/65/02/952476502.db2.gz BASUFNJJIMQQMW-NSHDSACASA-N -1 1 375.418 0.269 20 0 GCADMM C[C@@H](Cc1ccsc1)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571116933 952479659 /nfs/dbraw/zinc/47/96/59/952479659.db2.gz FUNVOJRMZOLFIA-VIFPVBQESA-N -1 1 375.414 0.328 20 0 GCADMM CS(=O)(=O)CC[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1 ZINC001571117523 952481930 /nfs/dbraw/zinc/48/19/30/952481930.db2.gz MBZFAYKWMJNJIB-LLVKDONJSA-N -1 1 375.414 0.747 20 0 GCADMM Cc1nsc(N2C[C@H]3CN(C(=O)[C@@H]4CCCO4)C[C@H]3C2)c1-c1nn[n-]n1 ZINC001571117511 952482090 /nfs/dbraw/zinc/48/20/90/952482090.db2.gz LSLAGNISIWKJII-TUAOUCFPSA-N -1 1 375.458 0.705 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CC[C@H](CO)[C@@H]3C)CC2)o1 ZINC001571118391 952488686 /nfs/dbraw/zinc/48/86/86/952488686.db2.gz WTSLBPUUVDCNIQ-GXFFZTMASA-N -1 1 375.433 0.609 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(C(F)F)n[nH]1 ZINC001571119366 952490474 /nfs/dbraw/zinc/49/04/74/952490474.db2.gz ADNYZWPTYYOPKY-ZETCQYMHSA-N -1 1 376.331 0.326 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(C(F)F)n[nH]1 ZINC001571119366 952490476 /nfs/dbraw/zinc/49/04/76/952490476.db2.gz ADNYZWPTYYOPKY-ZETCQYMHSA-N -1 1 376.331 0.326 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575199998 952491282 /nfs/dbraw/zinc/49/12/82/952491282.db2.gz GNDVAQQBNLKZTI-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575199998 952491285 /nfs/dbraw/zinc/49/12/85/952491285.db2.gz GNDVAQQBNLKZTI-YPMHNXCESA-N -1 1 382.432 0.282 20 0 GCADMM CC(C)(C)OC(=O)c1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)[nH]n1 ZINC001571119477 952492394 /nfs/dbraw/zinc/49/23/94/952492394.db2.gz CBXVAFGTJRFYAF-UHFFFAOYSA-N -1 1 376.402 0.932 20 0 GCADMM CC(C)(C)OC(=O)c1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)[nH]n1 ZINC001571119477 952492399 /nfs/dbraw/zinc/49/23/99/952492399.db2.gz CBXVAFGTJRFYAF-UHFFFAOYSA-N -1 1 376.402 0.932 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575200287 952493479 /nfs/dbraw/zinc/49/34/79/952493479.db2.gz IEFRQIWQOCURNJ-NSHDSACASA-N -1 1 386.485 0.841 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575200285 952494691 /nfs/dbraw/zinc/49/46/91/952494691.db2.gz IEFRQIWQOCURNJ-LLVKDONJSA-N -1 1 386.485 0.841 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)[C@]1(F)CCOC1 ZINC001571119999 952497469 /nfs/dbraw/zinc/49/74/69/952497469.db2.gz HPDHOXRVQSAMAT-UVWXRNBGSA-N -1 1 376.396 0.625 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)[C@]1(F)CCOC1 ZINC001571119999 952497473 /nfs/dbraw/zinc/49/74/73/952497473.db2.gz HPDHOXRVQSAMAT-UVWXRNBGSA-N -1 1 376.396 0.625 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)[C@@H]1CC1(F)F ZINC001571120429 952503648 /nfs/dbraw/zinc/50/36/48/952503648.db2.gz LHRDVOONQCURQP-YHAQOWFVSA-N -1 1 376.371 0.787 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)[C@@H]1CC1(F)F ZINC001571120429 952503653 /nfs/dbraw/zinc/50/36/53/952503653.db2.gz LHRDVOONQCURQP-YHAQOWFVSA-N -1 1 376.371 0.787 20 0 GCADMM C[C@@H](Cc1cccs1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575201643 952506775 /nfs/dbraw/zinc/50/67/75/952506775.db2.gz JIDRQUQAJAHFKK-VIFPVBQESA-N -1 1 375.414 0.280 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571120783 952508029 /nfs/dbraw/zinc/50/80/29/952508029.db2.gz RBMGGVPFPLSERT-MEDUHNTESA-N -1 1 376.396 0.213 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571120783 952508040 /nfs/dbraw/zinc/50/80/40/952508040.db2.gz RBMGGVPFPLSERT-MEDUHNTESA-N -1 1 376.396 0.213 20 0 GCADMM CC(C)(F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001571120966 952511452 /nfs/dbraw/zinc/51/14/52/952511452.db2.gz SNCCKXDSYHLIND-RITPCOANSA-N -1 1 375.817 0.390 20 0 GCADMM CC(C)(F)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001571120966 952511457 /nfs/dbraw/zinc/51/14/57/952511457.db2.gz SNCCKXDSYHLIND-RITPCOANSA-N -1 1 375.817 0.390 20 0 GCADMM Cc1onc(CC(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1-c1nnn[n-]1 ZINC001571121106 952514609 /nfs/dbraw/zinc/51/46/09/952514609.db2.gz WLCVOSGUVHJDCW-SWLSCSKDSA-N -1 1 376.417 0.532 20 0 GCADMM Cc1onc(CC(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1-c1nn[n-]n1 ZINC001571121106 952514614 /nfs/dbraw/zinc/51/46/14/952514614.db2.gz WLCVOSGUVHJDCW-SWLSCSKDSA-N -1 1 376.417 0.532 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC001571121064 952515074 /nfs/dbraw/zinc/51/50/74/952515074.db2.gz VVDFRJCUZBETCB-AAEUAGOBSA-N -1 1 376.417 0.125 20 0 GCADMM C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1Cl ZINC001571121287 952517345 /nfs/dbraw/zinc/51/73/45/952517345.db2.gz ZYNPASFKUPOJGW-QMMMGPOBSA-N -1 1 375.776 0.660 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H]1C[C@@H]1C(F)F ZINC001571121249 952517527 /nfs/dbraw/zinc/51/75/27/952517527.db2.gz ZGRGCLXANOLVEB-AJBSGBCOSA-N -1 1 376.371 0.356 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1C[C@@H]1C(F)F ZINC001571121249 952517531 /nfs/dbraw/zinc/51/75/31/952517531.db2.gz ZGRGCLXANOLVEB-AJBSGBCOSA-N -1 1 376.371 0.356 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571121280 952517731 /nfs/dbraw/zinc/51/77/31/952517731.db2.gz ZTOCRYQLGQPMAM-APPZFPTMSA-N -1 1 375.780 0.871 20 0 GCADMM C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571121280 952517738 /nfs/dbraw/zinc/51/77/38/952517738.db2.gz ZTOCRYQLGQPMAM-APPZFPTMSA-N -1 1 375.780 0.871 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cc(Cl)no1 ZINC001571121246 952517837 /nfs/dbraw/zinc/51/78/37/952517837.db2.gz ZFWCDDMRSQZJGC-MRVPVSSYSA-N -1 1 375.780 0.697 20 0 GCADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cc(Cl)no1 ZINC001571121246 952517842 /nfs/dbraw/zinc/51/78/42/952517842.db2.gz ZFWCDDMRSQZJGC-MRVPVSSYSA-N -1 1 375.780 0.697 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575202989 952518186 /nfs/dbraw/zinc/51/81/86/952518186.db2.gz YJBDYFBUZWYGSF-GFCCVEGCSA-N -1 1 384.448 0.164 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575202989 952518189 /nfs/dbraw/zinc/51/81/89/952518189.db2.gz YJBDYFBUZWYGSF-GFCCVEGCSA-N -1 1 384.448 0.164 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001571121342 952519227 /nfs/dbraw/zinc/51/92/27/952519227.db2.gz YYCNOGNJTHUEGN-UHFFFAOYSA-N -1 1 376.402 0.021 20 0 GCADMM CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001571121342 952519231 /nfs/dbraw/zinc/51/92/31/952519231.db2.gz YYCNOGNJTHUEGN-UHFFFAOYSA-N -1 1 376.402 0.021 20 0 GCADMM CC[C@@H](SC)C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571121675 952520232 /nfs/dbraw/zinc/52/02/32/952520232.db2.gz BKJRWFSSQGSZGC-GHMZBOCLSA-N -1 1 376.490 0.869 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575205672 952525213 /nfs/dbraw/zinc/52/52/13/952525213.db2.gz BWBHRVZMZIWITK-NEPJUHHUSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575205672 952525218 /nfs/dbraw/zinc/52/52/18/952525218.db2.gz BWBHRVZMZIWITK-NEPJUHHUSA-N -1 1 384.448 0.210 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571122822 952526561 /nfs/dbraw/zinc/52/65/61/952526561.db2.gz MBFXZXKJJCEYQU-PHIMTYICSA-N -1 1 376.446 0.169 20 0 GCADMM Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nn[n-]n1 ZINC001571123475 952531089 /nfs/dbraw/zinc/53/10/89/952531089.db2.gz SJINVLBUGGHQLW-VHSXEESVSA-N -1 1 376.446 0.171 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575206752 952531379 /nfs/dbraw/zinc/53/13/79/952531379.db2.gz LOVHKBJLXIBTFL-NWDGAFQWSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575207120 952531852 /nfs/dbraw/zinc/53/18/52/952531852.db2.gz NUTKVVDMYFGGEI-NWDGAFQWSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575207120 952531856 /nfs/dbraw/zinc/53/18/56/952531856.db2.gz NUTKVVDMYFGGEI-NWDGAFQWSA-N -1 1 384.448 0.210 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575207516 952533520 /nfs/dbraw/zinc/53/35/20/952533520.db2.gz QPMLLBSOIAYLDW-NSHDSACASA-N -1 1 382.432 0.330 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575207516 952533526 /nfs/dbraw/zinc/53/35/26/952533526.db2.gz QPMLLBSOIAYLDW-NSHDSACASA-N -1 1 382.432 0.330 20 0 GCADMM CCc1ccnc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1 ZINC001571124382 952537524 /nfs/dbraw/zinc/53/75/24/952537524.db2.gz HHWMTFCGWGXQQJ-ATCWAGBWSA-N -1 1 377.412 0.479 20 0 GCADMM CCc1ccnc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1 ZINC001571124382 952537527 /nfs/dbraw/zinc/53/75/27/952537527.db2.gz HHWMTFCGWGXQQJ-ATCWAGBWSA-N -1 1 377.412 0.479 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001571126964 952547955 /nfs/dbraw/zinc/54/79/55/952547955.db2.gz ATGJKINYEGJHPD-YHWZYXNKSA-N -1 1 377.412 0.982 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1(c2ccccn2)CC1 ZINC001571127125 952550395 /nfs/dbraw/zinc/55/03/95/952550395.db2.gz GSAQTFFAOFJIDZ-HAQNSBGRSA-N -1 1 377.412 0.843 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1(c2ccccn2)CC1 ZINC001571127125 952550398 /nfs/dbraw/zinc/55/03/98/952550398.db2.gz GSAQTFFAOFJIDZ-HAQNSBGRSA-N -1 1 377.412 0.843 20 0 GCADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571127082 952550445 /nfs/dbraw/zinc/55/04/45/952550445.db2.gz FONWYTPENZXCPA-HZSPNIEDSA-N -1 1 377.412 0.868 20 0 GCADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571127082 952550451 /nfs/dbraw/zinc/55/04/51/952550451.db2.gz FONWYTPENZXCPA-HZSPNIEDSA-N -1 1 377.412 0.868 20 0 GCADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)n1 ZINC001571127255 952552401 /nfs/dbraw/zinc/55/24/01/952552401.db2.gz IEUSJQZOLKQLEJ-SWLSCSKDSA-N -1 1 377.412 0.711 20 0 GCADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001571127255 952552407 /nfs/dbraw/zinc/55/24/07/952552407.db2.gz IEUSJQZOLKQLEJ-SWLSCSKDSA-N -1 1 377.412 0.711 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571127461 952554707 /nfs/dbraw/zinc/55/47/07/952554707.db2.gz JQMYNXGVKIQSKS-HUUCEWRRSA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571127461 952554712 /nfs/dbraw/zinc/55/47/12/952554712.db2.gz JQMYNXGVKIQSKS-HUUCEWRRSA-N -1 1 377.412 0.935 20 0 GCADMM Cc1cncc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001571127527 952556380 /nfs/dbraw/zinc/55/63/80/952556380.db2.gz LOLDIKIACZDSHC-ZSOGYDGISA-N -1 1 377.412 0.472 20 0 GCADMM Cc1cncc(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571127527 952556386 /nfs/dbraw/zinc/55/63/86/952556386.db2.gz LOLDIKIACZDSHC-ZSOGYDGISA-N -1 1 377.412 0.472 20 0 GCADMM Cc1cc(C)nc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571127477 952556452 /nfs/dbraw/zinc/55/64/52/952556452.db2.gz KGFYQEWBJJAAOJ-JYAVWHMHSA-N -1 1 377.412 0.533 20 0 GCADMM O=C(c1ccncc1)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571128149 952564006 /nfs/dbraw/zinc/56/40/06/952564006.db2.gz PBDCQTGPQLXZMO-KGLIPLIRSA-N -1 1 377.412 0.793 20 0 GCADMM Cc1nsc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571128356 952565981 /nfs/dbraw/zinc/56/59/81/952565981.db2.gz RIQDQFULVMJZID-VXGBXAGGSA-N -1 1 377.474 0.953 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571128524 952568210 /nfs/dbraw/zinc/56/82/10/952568210.db2.gz VTAAQJMXRNROQA-YUELXQCFSA-N -1 1 377.412 0.900 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571128524 952568214 /nfs/dbraw/zinc/56/82/14/952568214.db2.gz VTAAQJMXRNROQA-YUELXQCFSA-N -1 1 377.412 0.900 20 0 GCADMM O=S(=O)(NCc1cn(C2CCC2)nn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571129268 952574139 /nfs/dbraw/zinc/57/41/39/952574139.db2.gz CAAIOCGSGIAGMQ-UHFFFAOYSA-N -1 1 378.393 0.801 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571129655 952575288 /nfs/dbraw/zinc/57/52/88/952575288.db2.gz GXNUYYNANRPCFB-CQSZACIVSA-N -1 1 378.396 0.696 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571129655 952575291 /nfs/dbraw/zinc/57/52/91/952575291.db2.gz GXNUYYNANRPCFB-CQSZACIVSA-N -1 1 378.396 0.696 20 0 GCADMM O=C(CC1CC(F)(F)C1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130029 952578266 /nfs/dbraw/zinc/57/82/66/952578266.db2.gz NELJLPFOFIEIKX-LLVKDONJSA-N -1 1 378.387 0.917 20 0 GCADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571130045 952578734 /nfs/dbraw/zinc/57/87/34/952578734.db2.gz NUPGZMGCBSEJKT-HSOILSAZSA-N -1 1 378.387 0.821 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571130726 952581919 /nfs/dbraw/zinc/58/19/19/952581919.db2.gz VRPGDTRVAZXBAV-GHMZBOCLSA-N -1 1 378.387 0.987 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571130726 952581922 /nfs/dbraw/zinc/58/19/22/952581922.db2.gz VRPGDTRVAZXBAV-GHMZBOCLSA-N -1 1 378.387 0.987 20 0 GCADMM O=C([C@@H]1CCC1(F)F)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571130682 952581976 /nfs/dbraw/zinc/58/19/76/952581976.db2.gz UJBZHCAAKJBXDK-MNOVXSKESA-N -1 1 378.387 0.917 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1COc2ccccc21 ZINC001571130771 952582479 /nfs/dbraw/zinc/58/24/79/952582479.db2.gz XCKDWFOWKGXALJ-YPMHNXCESA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1COc2ccccc21 ZINC001571130771 952582481 /nfs/dbraw/zinc/58/24/81/952582481.db2.gz XCKDWFOWKGXALJ-YPMHNXCESA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571135690 952606862 /nfs/dbraw/zinc/60/68/62/952606862.db2.gz BEMDMZFPEMKCRV-HAQNSBGRSA-N -1 1 378.400 0.697 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnc(C2CC2)nc1 ZINC001571135690 952606867 /nfs/dbraw/zinc/60/68/67/952606867.db2.gz BEMDMZFPEMKCRV-HAQNSBGRSA-N -1 1 378.400 0.697 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135684 952607010 /nfs/dbraw/zinc/60/70/10/952607010.db2.gz AZIFPFGIFYIWOT-BBRMVZONSA-N -1 1 378.412 0.416 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135684 952607012 /nfs/dbraw/zinc/60/70/12/952607012.db2.gz AZIFPFGIFYIWOT-BBRMVZONSA-N -1 1 378.412 0.416 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)c1ccncn1 ZINC001571135738 952608076 /nfs/dbraw/zinc/60/80/76/952608076.db2.gz CJTNDPVGCLDIPC-DYVFJYSZSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)c1ccncn1 ZINC001571135738 952608077 /nfs/dbraw/zinc/60/80/77/952608077.db2.gz CJTNDPVGCLDIPC-DYVFJYSZSA-N -1 1 378.400 0.378 20 0 GCADMM C[C@]12CN(C(=O)c3ncccn3)C[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571135781 952609003 /nfs/dbraw/zinc/60/90/03/952609003.db2.gz DGOUXRDKRATYMS-DIFFPNOSSA-N -1 1 378.400 0.045 20 0 GCADMM C[C@]12CN(C(=O)c3ncccn3)C[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571135781 952609006 /nfs/dbraw/zinc/60/90/06/952609006.db2.gz DGOUXRDKRATYMS-DIFFPNOSSA-N -1 1 378.400 0.045 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571135968 952610751 /nfs/dbraw/zinc/61/07/51/952610751.db2.gz JLYLTNPALPVLMO-RTXFEEFZSA-N -1 1 378.400 0.295 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571135968 952610753 /nfs/dbraw/zinc/61/07/53/952610753.db2.gz JLYLTNPALPVLMO-RTXFEEFZSA-N -1 1 378.400 0.295 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1COc2ccccc21 ZINC001571135976 952611193 /nfs/dbraw/zinc/61/11/93/952611193.db2.gz JNBXBHWCZHCQTJ-NTZNESFSSA-N -1 1 378.396 0.892 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1COc2ccccc21 ZINC001571135976 952611197 /nfs/dbraw/zinc/61/11/97/952611197.db2.gz JNBXBHWCZHCQTJ-NTZNESFSSA-N -1 1 378.396 0.892 20 0 GCADMM O=C(c1cccnn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571136074 952612396 /nfs/dbraw/zinc/61/23/96/952612396.db2.gz LTTFHBMKRUJWDE-TXEJJXNPSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cccnn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571136074 952612397 /nfs/dbraw/zinc/61/23/97/952612397.db2.gz LTTFHBMKRUJWDE-TXEJJXNPSA-N -1 1 378.400 0.330 20 0 GCADMM O=C(c1cccnn1)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571136350 952612904 /nfs/dbraw/zinc/61/29/04/952612904.db2.gz OQXGXTICJIIRNI-NEPJUHHUSA-N -1 1 378.400 0.045 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCO2 ZINC001571136435 952613585 /nfs/dbraw/zinc/61/35/85/952613585.db2.gz QFIFCZLHDMNCGZ-JOCQHMNTSA-N -1 1 378.396 0.386 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)ncn1 ZINC001571136570 952615183 /nfs/dbraw/zinc/61/51/83/952615183.db2.gz QYXROUSBFFMSFR-MDZLAQPJSA-N -1 1 378.400 0.295 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)ncn1 ZINC001571136570 952615186 /nfs/dbraw/zinc/61/51/86/952615186.db2.gz QYXROUSBFFMSFR-MDZLAQPJSA-N -1 1 378.400 0.295 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@@H](F)CC)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571136643 952616158 /nfs/dbraw/zinc/61/61/58/952616158.db2.gz UFPPABYVQAZCIY-NTZNESFSSA-N -1 1 378.412 0.680 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@@H](F)CC)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571136643 952616161 /nfs/dbraw/zinc/61/61/61/952616161.db2.gz UFPPABYVQAZCIY-NTZNESFSSA-N -1 1 378.412 0.680 20 0 GCADMM O=C(c1ccc2c(c1)COC2)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571136823 952616841 /nfs/dbraw/zinc/61/68/41/952616841.db2.gz XELPGMFLICHGOH-UHFFFAOYSA-N -1 1 378.396 0.649 20 0 GCADMM O=C(c1ccc2c(c1)COC2)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571136823 952616844 /nfs/dbraw/zinc/61/68/44/952616844.db2.gz XELPGMFLICHGOH-UHFFFAOYSA-N -1 1 378.396 0.649 20 0 GCADMM Cn1c(=O)[nH]c(NC[C@](C)(O)c2ccc(F)cc2F)c(-c2nn[n-]n2)c1=O ZINC001571139003 952618171 /nfs/dbraw/zinc/61/81/71/952618171.db2.gz ATDICFVYILFLCI-HNNXBMFYSA-N -1 1 379.327 0.264 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)c1cncnc1 ZINC001571137019 952618219 /nfs/dbraw/zinc/61/82/19/952618219.db2.gz ZRMLTGRGPGERTP-YVEFUNNKSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)c1cncnc1 ZINC001571137019 952618222 /nfs/dbraw/zinc/61/82/22/952618222.db2.gz ZRMLTGRGPGERTP-YVEFUNNKSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)c1cncnc1 ZINC001571137018 952618623 /nfs/dbraw/zinc/61/86/23/952618623.db2.gz ZRMLTGRGPGERTP-SJKOYZFVSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)c1cncnc1 ZINC001571137018 952618627 /nfs/dbraw/zinc/61/86/27/952618627.db2.gz ZRMLTGRGPGERTP-SJKOYZFVSA-N -1 1 378.400 0.378 20 0 GCADMM NC(=O)Nc1ccc(C(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1 ZINC001571139999 952622715 /nfs/dbraw/zinc/62/27/15/952622715.db2.gz MNCPFOVNZYQFDB-UHFFFAOYSA-N -1 1 379.380 0.891 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146112 952648239 /nfs/dbraw/zinc/64/82/39/952648239.db2.gz CTBIXMGNLCGVTR-ZDUSSCGKSA-N -1 1 379.428 0.945 20 0 GCADMM O=C(Cc1cccnc1)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146112 952648243 /nfs/dbraw/zinc/64/82/43/952648243.db2.gz CTBIXMGNLCGVTR-ZDUSSCGKSA-N -1 1 379.428 0.945 20 0 GCADMM Cc1ncccc1CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571146385 952648720 /nfs/dbraw/zinc/64/87/20/952648720.db2.gz HEJPXRQZVLXUMM-IAQYHMDHSA-N -1 1 379.428 0.544 20 0 GCADMM Cc1ncccc1CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571146385 952648725 /nfs/dbraw/zinc/64/87/25/952648725.db2.gz HEJPXRQZVLXUMM-IAQYHMDHSA-N -1 1 379.428 0.544 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571146568 952650330 /nfs/dbraw/zinc/65/03/30/952650330.db2.gz ISKDREQCLXANRW-LSDHHAIUSA-N -1 1 379.428 0.879 20 0 GCADMM Cn1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571146568 952650332 /nfs/dbraw/zinc/65/03/32/952650332.db2.gz ISKDREQCLXANRW-LSDHHAIUSA-N -1 1 379.428 0.879 20 0 GCADMM CCc1cccc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571146981 952655049 /nfs/dbraw/zinc/65/50/49/952655049.db2.gz FKOTXSKVMDVHEK-LBPRGKRZSA-N -1 1 379.428 0.870 20 0 GCADMM Cc1ncccc1CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571147015 952655362 /nfs/dbraw/zinc/65/53/62/952655362.db2.gz PRTMQZPKPHVEMG-AWEZNQCLSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1ncccc1CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571147015 952655366 /nfs/dbraw/zinc/65/53/66/952655366.db2.gz PRTMQZPKPHVEMG-AWEZNQCLSA-N -1 1 379.428 0.640 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571146966 952655532 /nfs/dbraw/zinc/65/55/32/952655532.db2.gz DXWHVIAVICAXQH-JSGCOSHPSA-N -1 1 379.428 0.943 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571146966 952655536 /nfs/dbraw/zinc/65/55/36/952655536.db2.gz DXWHVIAVICAXQH-JSGCOSHPSA-N -1 1 379.428 0.943 20 0 GCADMM CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571146990 952655666 /nfs/dbraw/zinc/65/56/66/952655666.db2.gz FUOKFVPDHNOJBW-BETUJISGSA-N -1 1 379.428 0.972 20 0 GCADMM CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571146990 952655668 /nfs/dbraw/zinc/65/56/68/952655668.db2.gz FUOKFVPDHNOJBW-BETUJISGSA-N -1 1 379.428 0.972 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001571147165 952657604 /nfs/dbraw/zinc/65/76/04/952657604.db2.gz HYPAGSZOJBLQAD-CYBMUJFWSA-N -1 1 379.428 0.724 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571147165 952657607 /nfs/dbraw/zinc/65/76/07/952657607.db2.gz HYPAGSZOJBLQAD-CYBMUJFWSA-N -1 1 379.428 0.724 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001571147195 952658316 /nfs/dbraw/zinc/65/83/16/952658316.db2.gz ISPARCWXWYVXIB-TZMCWYRMSA-N -1 1 379.428 0.680 20 0 GCADMM Cc1cnccc1CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571147225 952658493 /nfs/dbraw/zinc/65/84/93/952658493.db2.gz UCMOQKDVJUSQPP-IUODEOHRSA-N -1 1 379.428 0.544 20 0 GCADMM Cc1cnccc1CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571147225 952658498 /nfs/dbraw/zinc/65/84/98/952658498.db2.gz UCMOQKDVJUSQPP-IUODEOHRSA-N -1 1 379.428 0.544 20 0 GCADMM Cc1ncccc1CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571147309 952659609 /nfs/dbraw/zinc/65/96/09/952659609.db2.gz XBDYRKPMAVWPRR-CYBMUJFWSA-N -1 1 379.428 0.863 20 0 GCADMM Cc1ncccc1CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571147309 952659610 /nfs/dbraw/zinc/65/96/10/952659610.db2.gz XBDYRKPMAVWPRR-CYBMUJFWSA-N -1 1 379.428 0.863 20 0 GCADMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cc2cccnc2)C1 ZINC001571147348 952660698 /nfs/dbraw/zinc/66/06/98/952660698.db2.gz KVWSDEFMPLQJMA-GOSISDBHSA-N -1 1 379.428 0.945 20 0 GCADMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cc2cccnc2)C1 ZINC001571147348 952660700 /nfs/dbraw/zinc/66/07/00/952660700.db2.gz KVWSDEFMPLQJMA-GOSISDBHSA-N -1 1 379.428 0.945 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cnccc3C)C2)n1 ZINC001571147601 952663249 /nfs/dbraw/zinc/66/32/49/952663249.db2.gz OZVPBBRKNJUVME-GFCCVEGCSA-N -1 1 379.428 0.931 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cnccc3C)C2)n1 ZINC001571147601 952663252 /nfs/dbraw/zinc/66/32/52/952663252.db2.gz OZVPBBRKNJUVME-GFCCVEGCSA-N -1 1 379.428 0.931 20 0 GCADMM CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571148206 952665625 /nfs/dbraw/zinc/66/56/25/952665625.db2.gz VGSFXXUIASRLCC-CYBMUJFWSA-N -1 1 379.428 0.731 20 0 GCADMM CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571148206 952665630 /nfs/dbraw/zinc/66/56/30/952665630.db2.gz VGSFXXUIASRLCC-CYBMUJFWSA-N -1 1 379.428 0.731 20 0 GCADMM CCc1cccnc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571148316 952666317 /nfs/dbraw/zinc/66/63/17/952666317.db2.gz YJIRUZPWDZGBMZ-LBPRGKRZSA-N -1 1 379.428 0.870 20 0 GCADMM CCc1cccnc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571148316 952666318 /nfs/dbraw/zinc/66/63/18/952666318.db2.gz YJIRUZPWDZGBMZ-LBPRGKRZSA-N -1 1 379.428 0.870 20 0 GCADMM CCc1cccnc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571148314 952666535 /nfs/dbraw/zinc/66/65/35/952666535.db2.gz YJIRUZPWDZGBMZ-GFCCVEGCSA-N -1 1 379.428 0.870 20 0 GCADMM CCc1cccnc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571148314 952666537 /nfs/dbraw/zinc/66/65/37/952666537.db2.gz YJIRUZPWDZGBMZ-GFCCVEGCSA-N -1 1 379.428 0.870 20 0 GCADMM Cc1nc(C(=O)N2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)c[nH]1 ZINC001571152964 952684662 /nfs/dbraw/zinc/68/46/62/952684662.db2.gz MHCSKMWKOSRJEQ-UHFFFAOYSA-N -1 1 379.837 0.971 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571153946 952688349 /nfs/dbraw/zinc/68/83/49/952688349.db2.gz WUMIHFUZIZSIRW-MRVPVSSYSA-N -1 1 379.837 0.568 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1ccccc1C ZINC001571155211 952693895 /nfs/dbraw/zinc/69/38/95/952693895.db2.gz KZWSXHPWZHREKS-HUUCEWRRSA-N -1 1 380.412 0.599 20 0 GCADMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1ccccc1C ZINC001571155211 952693900 /nfs/dbraw/zinc/69/39/00/952693900.db2.gz KZWSXHPWZHREKS-HUUCEWRRSA-N -1 1 380.412 0.599 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571155282 952694676 /nfs/dbraw/zinc/69/46/76/952694676.db2.gz MUYXJTHZMOWQKA-AVGNSLFASA-N -1 1 380.412 0.918 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571155282 952694679 /nfs/dbraw/zinc/69/46/79/952694679.db2.gz MUYXJTHZMOWQKA-AVGNSLFASA-N -1 1 380.412 0.918 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)c3ccccc3)[C@@H](O)C2)n1 ZINC001571155561 952699007 /nfs/dbraw/zinc/69/90/07/952699007.db2.gz WUZHHHOBIMDXCL-KGLIPLIRSA-N -1 1 380.412 0.199 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)c3ccccc3)[C@@H](O)C2)n1 ZINC001571155561 952699011 /nfs/dbraw/zinc/69/90/11/952699011.db2.gz WUZHHHOBIMDXCL-KGLIPLIRSA-N -1 1 380.412 0.199 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cc(C)n1 ZINC001571156019 952701275 /nfs/dbraw/zinc/70/12/75/952701275.db2.gz AWSMPZWMILRQJL-JSGCOSHPSA-N -1 1 379.428 0.806 20 0 GCADMM COc1ccccc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571158477 952712490 /nfs/dbraw/zinc/71/24/90/952712490.db2.gz IYCMGAXXOZUIAB-GFCCVEGCSA-N -1 1 380.412 0.804 20 0 GCADMM Cc1cncc(CC(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571158852 952714771 /nfs/dbraw/zinc/71/47/71/952714771.db2.gz SNOXXFSPNBTYGN-UHFFFAOYSA-N -1 1 379.428 0.331 20 0 GCADMM COc1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571159303 952718535 /nfs/dbraw/zinc/71/85/35/952718535.db2.gz UFLGYEWXPLRHEE-ZDUSSCGKSA-N -1 1 380.412 0.603 20 0 GCADMM COc1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571159303 952718539 /nfs/dbraw/zinc/71/85/39/952718539.db2.gz UFLGYEWXPLRHEE-ZDUSSCGKSA-N -1 1 380.412 0.603 20 0 GCADMM COc1cccc(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571159560 952720764 /nfs/dbraw/zinc/72/07/64/952720764.db2.gz YGKXUMALTXKEMA-ZDUSSCGKSA-N -1 1 380.412 0.603 20 0 GCADMM Cc1cnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571160337 952725335 /nfs/dbraw/zinc/72/53/35/952725335.db2.gz ZELUNNMYXXGGGA-CYBMUJFWSA-N -1 1 379.428 0.925 20 0 GCADMM Cc1cnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571160337 952725338 /nfs/dbraw/zinc/72/53/38/952725338.db2.gz ZELUNNMYXXGGGA-CYBMUJFWSA-N -1 1 379.428 0.925 20 0 GCADMM O=C(Cc1ccco1)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571160642 952727067 /nfs/dbraw/zinc/72/70/67/952727067.db2.gz KWCCLOSTEXJCQA-GXTWGEPZSA-N -1 1 380.412 0.920 20 0 GCADMM O=C(Cc1ccco1)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571160642 952727073 /nfs/dbraw/zinc/72/70/73/952727073.db2.gz KWCCLOSTEXJCQA-GXTWGEPZSA-N -1 1 380.412 0.920 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C1C=CC=CC=C1 ZINC001571161385 952731451 /nfs/dbraw/zinc/73/14/51/952731451.db2.gz UFOMIZZZBQRLPI-UKRRQHHQSA-N -1 1 380.412 0.011 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C1C=CC=CC=C1 ZINC001571161385 952731456 /nfs/dbraw/zinc/73/14/56/952731456.db2.gz UFOMIZZZBQRLPI-UKRRQHHQSA-N -1 1 380.412 0.011 20 0 GCADMM O=C(Cc1ccccc1)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571161480 952732555 /nfs/dbraw/zinc/73/25/55/952732555.db2.gz WXRFZOVBDCEBQK-CQSZACIVSA-N -1 1 380.412 0.539 20 0 GCADMM O=C(Cc1ccccc1)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571161480 952732560 /nfs/dbraw/zinc/73/25/60/952732560.db2.gz WXRFZOVBDCEBQK-CQSZACIVSA-N -1 1 380.412 0.539 20 0 GCADMM O=C(c1ccccc1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571161591 952732795 /nfs/dbraw/zinc/73/27/95/952732795.db2.gz XNCIVKFKDCKTII-GOSISDBHSA-N -1 1 380.412 0.736 20 0 GCADMM O=C(c1ccccc1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571161591 952732801 /nfs/dbraw/zinc/73/28/01/952732801.db2.gz XNCIVKFKDCKTII-GOSISDBHSA-N -1 1 380.412 0.736 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)n1 ZINC001571161787 952733998 /nfs/dbraw/zinc/73/39/98/952733998.db2.gz ACDPCSBOYOZNPT-LBPRGKRZSA-N -1 1 380.416 0.400 20 0 GCADMM Cc1ccnc(C(=O)N[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)n1 ZINC001571161787 952734002 /nfs/dbraw/zinc/73/40/02/952734002.db2.gz ACDPCSBOYOZNPT-LBPRGKRZSA-N -1 1 380.416 0.400 20 0 GCADMM CN(CC1CCN(C(=O)c2ncccn2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571161808 952734947 /nfs/dbraw/zinc/73/49/47/952734947.db2.gz BCAACOLPTDPAJJ-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM CN(CC1CCN(C(=O)c2ncccn2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571161808 952734949 /nfs/dbraw/zinc/73/49/49/952734949.db2.gz BCAACOLPTDPAJJ-UHFFFAOYSA-N -1 1 380.416 0.435 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CNC(=O)c3ncccn3)C2)n1 ZINC001571161871 952735193 /nfs/dbraw/zinc/73/51/93/952735193.db2.gz CTRZFNLTRKWODV-LBPRGKRZSA-N -1 1 380.416 0.402 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CNC(=O)c3ncccn3)C2)n1 ZINC001571161871 952735196 /nfs/dbraw/zinc/73/51/96/952735196.db2.gz CTRZFNLTRKWODV-LBPRGKRZSA-N -1 1 380.416 0.402 20 0 GCADMM CCN(C(=O)c1ccc(C)nn1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571161844 952735322 /nfs/dbraw/zinc/73/53/22/952735322.db2.gz BZTUTXNLVUXKSI-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1ccc(C)nn1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571161844 952735324 /nfs/dbraw/zinc/73/53/24/952735324.db2.gz BZTUTXNLVUXKSI-LBPRGKRZSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)nn1 ZINC001571162034 952737712 /nfs/dbraw/zinc/73/77/12/952737712.db2.gz IJSGUGKRFDVUGF-LBPRGKRZSA-N -1 1 380.416 0.699 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)nn1 ZINC001571162034 952737717 /nfs/dbraw/zinc/73/77/17/952737717.db2.gz IJSGUGKRFDVUGF-LBPRGKRZSA-N -1 1 380.416 0.699 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3ccnnc3)CC[C@H]2C)n1 ZINC001571162175 952739432 /nfs/dbraw/zinc/73/94/32/952739432.db2.gz MXCKWGODFJVVNS-YPMHNXCESA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3ccnnc3)CC[C@H]2C)n1 ZINC001571162175 952739434 /nfs/dbraw/zinc/73/94/34/952739434.db2.gz MXCKWGODFJVVNS-YPMHNXCESA-N -1 1 380.416 0.542 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccncn2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571162157 952739475 /nfs/dbraw/zinc/73/94/75/952739475.db2.gz MFQWIVPMXQIADY-SMDDNHRTSA-N -1 1 380.416 0.338 20 0 GCADMM C[C@H]1CN(C(=O)CCc2ccncn2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571162157 952739477 /nfs/dbraw/zinc/73/94/77/952739477.db2.gz MFQWIVPMXQIADY-SMDDNHRTSA-N -1 1 380.416 0.338 20 0 GCADMM CCc1nc(NC2CC(N(C)C(=O)c3ncccn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571162194 952739623 /nfs/dbraw/zinc/73/96/23/952739623.db2.gz NMEXVMOJFDZEOA-UHFFFAOYSA-N -1 1 380.416 0.724 20 0 GCADMM CCc1nc(NC2CC(N(C)C(=O)c3ncccn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571162194 952739629 /nfs/dbraw/zinc/73/96/29/952739629.db2.gz NMEXVMOJFDZEOA-UHFFFAOYSA-N -1 1 380.416 0.724 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571162184 952739714 /nfs/dbraw/zinc/73/97/14/952739714.db2.gz MYPRDTLUPQOKIN-ZWNOBZJWSA-N -1 1 380.416 0.582 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571162184 952739719 /nfs/dbraw/zinc/73/97/19/952739719.db2.gz MYPRDTLUPQOKIN-ZWNOBZJWSA-N -1 1 380.416 0.582 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)cnn1 ZINC001571162243 952740708 /nfs/dbraw/zinc/74/07/08/952740708.db2.gz OMDHFGUOQRACBT-RYUDHWBXSA-N -1 1 380.416 0.140 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162256 952741036 /nfs/dbraw/zinc/74/10/36/952741036.db2.gz OVZOLPOZRHQLDY-NSHDSACASA-N -1 1 380.416 0.148 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn2c1CCC2 ZINC001571162205 952741251 /nfs/dbraw/zinc/74/12/51/952741251.db2.gz NTYLJMUZWJAOTF-ZYHUDNBSSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn2c1CCC2 ZINC001571162205 952741257 /nfs/dbraw/zinc/74/12/57/952741257.db2.gz NTYLJMUZWJAOTF-ZYHUDNBSSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571162283 952741810 /nfs/dbraw/zinc/74/18/10/952741810.db2.gz PMKIIXYLZGHZDI-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571162283 952741813 /nfs/dbraw/zinc/74/18/13/952741813.db2.gz PMKIIXYLZGHZDI-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571162280 952741932 /nfs/dbraw/zinc/74/19/32/952741932.db2.gz PMKIIXYLZGHZDI-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571162280 952741935 /nfs/dbraw/zinc/74/19/35/952741935.db2.gz PMKIIXYLZGHZDI-AAEUAGOBSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571162294 952742413 /nfs/dbraw/zinc/74/24/13/952742413.db2.gz PTGFHVODFWEUBM-JQWIXIFHSA-N -1 1 380.416 0.372 20 0 GCADMM C[C@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571162294 952742418 /nfs/dbraw/zinc/74/24/18/952742418.db2.gz PTGFHVODFWEUBM-JQWIXIFHSA-N -1 1 380.416 0.372 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571162365 952742892 /nfs/dbraw/zinc/74/28/92/952742892.db2.gz RUYQWVKHJCVLAL-LLVKDONJSA-N -1 1 380.416 0.477 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571162397 952743005 /nfs/dbraw/zinc/74/30/05/952743005.db2.gz SRWGCZPMCHSBII-VXGBXAGGSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571162397 952743014 /nfs/dbraw/zinc/74/30/14/952743014.db2.gz SRWGCZPMCHSBII-VXGBXAGGSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2ccnc(-c4nn[n-]n4)n2)C3)[nH]n1 ZINC001571162371 952743067 /nfs/dbraw/zinc/74/30/67/952743067.db2.gz SCXPKXMTQGLHGJ-GTNSWQLSSA-N -1 1 380.416 0.477 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571162366 952743174 /nfs/dbraw/zinc/74/31/74/952743174.db2.gz RUYQWVKHJCVLAL-NSHDSACASA-N -1 1 380.416 0.477 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571162388 952743298 /nfs/dbraw/zinc/74/32/98/952743298.db2.gz SPNFFQSGLRZSNS-UTUOFQBUSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571162388 952743302 /nfs/dbraw/zinc/74/33/02/952743302.db2.gz SPNFFQSGLRZSNS-UTUOFQBUSA-N -1 1 380.416 0.238 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001571162413 952743319 /nfs/dbraw/zinc/74/33/19/952743319.db2.gz SZLMNRKTYGOTHQ-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001571162413 952743323 /nfs/dbraw/zinc/74/33/23/952743323.db2.gz SZLMNRKTYGOTHQ-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cnc4n3CCC4)C2)n1 ZINC001571162443 952743912 /nfs/dbraw/zinc/74/39/12/952743912.db2.gz UMILNPIVTRKAGN-NSHDSACASA-N -1 1 380.416 0.117 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cnc4n3CCC4)C2)n1 ZINC001571162443 952743917 /nfs/dbraw/zinc/74/39/17/952743917.db2.gz UMILNPIVTRKAGN-NSHDSACASA-N -1 1 380.416 0.117 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)c3ccnnc3C)C2)n1 ZINC001571162479 952744412 /nfs/dbraw/zinc/74/44/12/952744412.db2.gz VFJWVNARCPXHRJ-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)c3ccnnc3C)C2)n1 ZINC001571162479 952744416 /nfs/dbraw/zinc/74/44/16/952744416.db2.gz VFJWVNARCPXHRJ-GFCCVEGCSA-N -1 1 380.416 0.780 20 0 GCADMM C[C@H](NC(=O)c1cccnn1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571162654 952745276 /nfs/dbraw/zinc/74/52/76/952745276.db2.gz XHURHCITRBGELJ-NWDGAFQWSA-N -1 1 380.416 0.482 20 0 GCADMM C[C@H](NC(=O)c1cccnn1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571162654 952745281 /nfs/dbraw/zinc/74/52/81/952745281.db2.gz XHURHCITRBGELJ-NWDGAFQWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1n[nH]c2c1CCCC2 ZINC001571164935 952745863 /nfs/dbraw/zinc/74/58/63/952745863.db2.gz AAMUOBZIODMLRQ-AOOOYVTPSA-N -1 1 380.416 0.632 20 0 GCADMM CCn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001571162718 952745940 /nfs/dbraw/zinc/74/59/40/952745940.db2.gz YIYWNEMUUHPDKP-TXEJJXNPSA-N -1 1 380.416 0.367 20 0 GCADMM CCn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001571162718 952745945 /nfs/dbraw/zinc/74/59/45/952745945.db2.gz YIYWNEMUUHPDKP-TXEJJXNPSA-N -1 1 380.416 0.367 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)[nH]1 ZINC001571165005 952746090 /nfs/dbraw/zinc/74/60/90/952746090.db2.gz AQNKPBJOZDBVAH-VXGBXAGGSA-N -1 1 380.416 0.263 20 0 GCADMM Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)nn1 ZINC001571162721 952746185 /nfs/dbraw/zinc/74/61/85/952746185.db2.gz YLRYUYDAPJUHNX-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)nn1 ZINC001571162721 952746189 /nfs/dbraw/zinc/74/61/89/952746189.db2.gz YLRYUYDAPJUHNX-GFCCVEGCSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)nn1 ZINC001571162722 952746254 /nfs/dbraw/zinc/74/62/54/952746254.db2.gz YLRYUYDAPJUHNX-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)nn1 ZINC001571162722 952746257 /nfs/dbraw/zinc/74/62/57/952746257.db2.gz YLRYUYDAPJUHNX-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)ncn1 ZINC001571162720 952746369 /nfs/dbraw/zinc/74/63/69/952746369.db2.gz YKVLCEWFPHIVBL-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)ncn1 ZINC001571162720 952746372 /nfs/dbraw/zinc/74/63/72/952746372.db2.gz YKVLCEWFPHIVBL-VXGBXAGGSA-N -1 1 380.416 0.908 20 0 GCADMM O=C([C@H]1CCn2ccnc2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165203 952748200 /nfs/dbraw/zinc/74/82/00/952748200.db2.gz FWMIHOPVEMEGQY-NWDGAFQWSA-N -1 1 380.416 0.129 20 0 GCADMM O=C([C@H]1CCn2ccnc2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165203 952748205 /nfs/dbraw/zinc/74/82/05/952748205.db2.gz FWMIHOPVEMEGQY-NWDGAFQWSA-N -1 1 380.416 0.129 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571165168 952748312 /nfs/dbraw/zinc/74/83/12/952748312.db2.gz DUOVXDUHPSEXFC-CYBMUJFWSA-N -1 1 380.416 0.400 20 0 GCADMM Cc1nnccc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571165168 952748319 /nfs/dbraw/zinc/74/83/19/952748319.db2.gz DUOVXDUHPSEXFC-CYBMUJFWSA-N -1 1 380.416 0.400 20 0 GCADMM Cc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)c[nH]1 ZINC001571165210 952748848 /nfs/dbraw/zinc/74/88/48/952748848.db2.gz GDAQJNBAGHGUMN-TXEJJXNPSA-N -1 1 380.416 0.572 20 0 GCADMM Cc1ncncc1C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571165233 952749486 /nfs/dbraw/zinc/74/94/86/952749486.db2.gz GSBKKFAJYKMGKS-CYBMUJFWSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ncncc1C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571165233 952749491 /nfs/dbraw/zinc/74/94/91/952749491.db2.gz GSBKKFAJYKMGKS-CYBMUJFWSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571165230 952749779 /nfs/dbraw/zinc/74/97/79/952749779.db2.gz GRNVPOFBYGSREI-LBPRGKRZSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571165230 952749786 /nfs/dbraw/zinc/74/97/86/952749786.db2.gz GRNVPOFBYGSREI-LBPRGKRZSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)n1 ZINC001571165248 952749826 /nfs/dbraw/zinc/74/98/26/952749826.db2.gz GZQHCDSVTULQLO-CMPLNLGQSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)n1 ZINC001571165248 952749830 /nfs/dbraw/zinc/74/98/30/952749830.db2.gz GZQHCDSVTULQLO-CMPLNLGQSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571165241 952750023 /nfs/dbraw/zinc/75/00/23/952750023.db2.gz GXPUMOBOBKVZFF-NSHDSACASA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571165241 952750026 /nfs/dbraw/zinc/75/00/26/952750026.db2.gz GXPUMOBOBKVZFF-NSHDSACASA-N -1 1 380.416 0.516 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001571165281 952750054 /nfs/dbraw/zinc/75/00/54/952750054.db2.gz AUTWKLOGYZNLDM-RKDXNWHRSA-N -1 1 380.430 0.638 20 0 GCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001571165281 952750056 /nfs/dbraw/zinc/75/00/56/952750056.db2.gz AUTWKLOGYZNLDM-RKDXNWHRSA-N -1 1 380.430 0.638 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571165478 952750332 /nfs/dbraw/zinc/75/03/32/952750332.db2.gz HVJNPONBIKKVLB-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571165478 952750340 /nfs/dbraw/zinc/75/03/40/952750340.db2.gz HVJNPONBIKKVLB-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM Cc1ncc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c(C)n1 ZINC001571165467 952750407 /nfs/dbraw/zinc/75/04/07/952750407.db2.gz HJDAGEYBMPIFLM-SKDRFNHKSA-N -1 1 380.416 0.779 20 0 GCADMM Cc1ncc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c(C)n1 ZINC001571165467 952750413 /nfs/dbraw/zinc/75/04/13/952750413.db2.gz HJDAGEYBMPIFLM-SKDRFNHKSA-N -1 1 380.416 0.779 20 0 GCADMM COC(=O)CC1(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)CCCC1 ZINC001571165564 952752118 /nfs/dbraw/zinc/75/21/18/952752118.db2.gz FFYSPUKFDBTODZ-UHFFFAOYSA-N -1 1 380.430 0.664 20 0 GCADMM COC(=O)C[C@@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C1CCCC1 ZINC001571165594 952753152 /nfs/dbraw/zinc/75/31/52/952753152.db2.gz GIEGKJVJYLZWFF-LLVKDONJSA-N -1 1 380.430 0.662 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571165794 952754245 /nfs/dbraw/zinc/75/42/45/952754245.db2.gz KTKMHFRFLMFQPT-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571165794 952754254 /nfs/dbraw/zinc/75/42/54/952754254.db2.gz KTKMHFRFLMFQPT-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571165801 952754403 /nfs/dbraw/zinc/75/44/03/952754403.db2.gz LGMOIRFKLNADJY-AVGNSLFASA-N -1 1 380.416 0.027 20 0 GCADMM O=C(Cn1cccn1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571165801 952754408 /nfs/dbraw/zinc/75/44/08/952754408.db2.gz LGMOIRFKLNADJY-AVGNSLFASA-N -1 1 380.416 0.027 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccnnc1 ZINC001571165764 952754591 /nfs/dbraw/zinc/75/45/91/952754591.db2.gz JZANIYVHYRZRFX-AAEUAGOBSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccnnc1 ZINC001571165764 952754594 /nfs/dbraw/zinc/75/45/94/952754594.db2.gz JZANIYVHYRZRFX-AAEUAGOBSA-N -1 1 380.416 0.847 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)cn1 ZINC001571165780 952754872 /nfs/dbraw/zinc/75/48/72/952754872.db2.gz KFJKPULCNFCIOQ-UHTWSYAYSA-N -1 1 380.416 0.178 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)cn1 ZINC001571165780 952754878 /nfs/dbraw/zinc/75/48/78/952754878.db2.gz KFJKPULCNFCIOQ-UHTWSYAYSA-N -1 1 380.416 0.178 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166035 952757294 /nfs/dbraw/zinc/75/72/94/952757294.db2.gz MSRSCOGQXHNBLI-DGCLKSJQSA-N -1 1 380.416 0.050 20 0 GCADMM O=C(Cc1ncc[nH]1)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166035 952757297 /nfs/dbraw/zinc/75/72/97/952757297.db2.gz MSRSCOGQXHNBLI-DGCLKSJQSA-N -1 1 380.416 0.050 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571166118 952757973 /nfs/dbraw/zinc/75/79/73/952757973.db2.gz OENZZTXIFZGVCS-RYUDHWBXSA-N -1 1 380.416 0.110 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571166118 952757977 /nfs/dbraw/zinc/75/79/77/952757977.db2.gz OENZZTXIFZGVCS-RYUDHWBXSA-N -1 1 380.416 0.110 20 0 GCADMM Cc1nccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571166164 952758004 /nfs/dbraw/zinc/75/80/04/952758004.db2.gz PEQCJICASPVSBN-VXGBXAGGSA-N -1 1 380.416 0.330 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571166131 952758094 /nfs/dbraw/zinc/75/80/94/952758094.db2.gz OKNALIPCVXPIRM-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571166131 952758100 /nfs/dbraw/zinc/75/81/00/952758100.db2.gz OKNALIPCVXPIRM-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571166100 952758218 /nfs/dbraw/zinc/75/82/18/952758218.db2.gz NODXTRJWIOIOJT-AAEUAGOBSA-N -1 1 380.416 0.188 20 0 GCADMM Cc1nnccc1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571166096 952758551 /nfs/dbraw/zinc/75/85/51/952758551.db2.gz NMOIBUGHUHALOR-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1nnccc1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571166096 952758552 /nfs/dbraw/zinc/75/85/52/952758552.db2.gz NMOIBUGHUHALOR-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571166144 952758881 /nfs/dbraw/zinc/75/88/81/952758881.db2.gz OQXJFPNZBKXXSQ-CYBMUJFWSA-N -1 1 380.416 0.029 20 0 GCADMM O=C(Cn1cccn1)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571166144 952758882 /nfs/dbraw/zinc/75/88/82/952758882.db2.gz OQXJFPNZBKXXSQ-CYBMUJFWSA-N -1 1 380.416 0.029 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571166219 952759824 /nfs/dbraw/zinc/75/98/24/952759824.db2.gz QIVYHPKGFFJYAB-GFCCVEGCSA-N -1 1 380.416 0.354 20 0 GCADMM Cc1nccc(C(=O)N2CC[C@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571166219 952759827 /nfs/dbraw/zinc/75/98/27/952759827.db2.gz QIVYHPKGFFJYAB-GFCCVEGCSA-N -1 1 380.416 0.354 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571166473 952761782 /nfs/dbraw/zinc/76/17/82/952761782.db2.gz SFAVLDHCXIYTOF-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM O=C(c1cccnn1)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571166473 952761788 /nfs/dbraw/zinc/76/17/88/952761788.db2.gz SFAVLDHCXIYTOF-LBPRGKRZSA-N -1 1 380.416 0.801 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571166485 952762441 /nfs/dbraw/zinc/76/24/41/952762441.db2.gz SPHYJIUEBZRPNG-KRWDZBQOSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571166485 952762447 /nfs/dbraw/zinc/76/24/47/952762447.db2.gz SPHYJIUEBZRPNG-KRWDZBQOSA-N -1 1 380.416 0.719 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571166593 952762793 /nfs/dbraw/zinc/76/27/93/952762793.db2.gz UAKYTNYYZBQOOM-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571166593 952762803 /nfs/dbraw/zinc/76/28/03/952762803.db2.gz UAKYTNYYZBQOOM-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571166577 952762939 /nfs/dbraw/zinc/76/29/39/952762939.db2.gz TZBIUFKTHPAVJA-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571166577 952762943 /nfs/dbraw/zinc/76/29/43/952762943.db2.gz TZBIUFKTHPAVJA-GFCCVEGCSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cnc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571166660 952764361 /nfs/dbraw/zinc/76/43/61/952764361.db2.gz USTWLMGJCYSGLP-NWDGAFQWSA-N -1 1 380.416 0.188 20 0 GCADMM Cn1nccc1C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166833 952765013 /nfs/dbraw/zinc/76/50/13/952765013.db2.gz XGHJJPMJKBPVBK-ZDUSSCGKSA-N -1 1 380.416 0.179 20 0 GCADMM Cn1nccc1C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166833 952765018 /nfs/dbraw/zinc/76/50/18/952765018.db2.gz XGHJJPMJKBPVBK-ZDUSSCGKSA-N -1 1 380.416 0.179 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCn2cncc2C1 ZINC001571166766 952765053 /nfs/dbraw/zinc/76/50/53/952765053.db2.gz VRMFEZHHYLVGFI-IJLUTSLNSA-N -1 1 380.416 0.175 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCn2cncc2C1 ZINC001571166766 952765060 /nfs/dbraw/zinc/76/50/60/952765060.db2.gz VRMFEZHHYLVGFI-IJLUTSLNSA-N -1 1 380.416 0.175 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571166786 952765500 /nfs/dbraw/zinc/76/55/00/952765500.db2.gz VWIUHAFJKWUIQW-DRZSPHRISA-N -1 1 380.416 0.096 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571166786 952765503 /nfs/dbraw/zinc/76/55/03/952765503.db2.gz VWIUHAFJKWUIQW-DRZSPHRISA-N -1 1 380.416 0.096 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166934 952767581 /nfs/dbraw/zinc/76/75/81/952767581.db2.gz RVJHWZREDWQGTB-SNVBAGLBSA-N -1 1 380.416 0.585 20 0 GCADMM O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166934 952767586 /nfs/dbraw/zinc/76/75/86/952767586.db2.gz RVJHWZREDWQGTB-SNVBAGLBSA-N -1 1 380.416 0.585 20 0 GCADMM Cc1cnc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H](C)C2)cn1 ZINC001571166969 952768038 /nfs/dbraw/zinc/76/80/38/952768038.db2.gz ZQNOEPLAMXNXGK-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cnc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H](C)C2)cn1 ZINC001571166969 952768042 /nfs/dbraw/zinc/76/80/42/952768042.db2.gz ZQNOEPLAMXNXGK-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001571166974 952768104 /nfs/dbraw/zinc/76/81/04/952768104.db2.gz ZSGHGKQOTFAJBB-STQMWFEESA-N -1 1 380.416 0.543 20 0 GCADMM Cn1cncc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571166974 952768106 /nfs/dbraw/zinc/76/81/06/952768106.db2.gz ZSGHGKQOTFAJBB-STQMWFEESA-N -1 1 380.416 0.543 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571169965 952781731 /nfs/dbraw/zinc/78/17/31/952781731.db2.gz AQFMRZFFMQLNJX-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571169965 952781733 /nfs/dbraw/zinc/78/17/33/952781733.db2.gz AQFMRZFFMQLNJX-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571170113 952783092 /nfs/dbraw/zinc/78/30/92/952783092.db2.gz DFGQPLMZRXURRO-WCQYABFASA-N -1 1 381.400 0.545 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571170113 952783094 /nfs/dbraw/zinc/78/30/94/952783094.db2.gz DFGQPLMZRXURRO-WCQYABFASA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@]1(NC(=O)c2coc(C3CC3)n2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571170428 952786087 /nfs/dbraw/zinc/78/60/87/952786087.db2.gz JPRDNWFELAEMDX-QGZVFWFLSA-N -1 1 381.400 0.921 20 0 GCADMM C[C@@]1(NC(=O)c2coc(C3CC3)n2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571170428 952786090 /nfs/dbraw/zinc/78/60/90/952786090.db2.gz JPRDNWFELAEMDX-QGZVFWFLSA-N -1 1 381.400 0.921 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001571171066 952791063 /nfs/dbraw/zinc/79/10/63/952791063.db2.gz NGDJIIVDJPTKFK-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001571171066 952791066 /nfs/dbraw/zinc/79/10/66/952791066.db2.gz NGDJIIVDJPTKFK-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571171349 952792434 /nfs/dbraw/zinc/79/24/34/952792434.db2.gz REYMDXXRXRBGCK-XWIASGKRSA-N -1 1 381.400 0.747 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571171349 952792437 /nfs/dbraw/zinc/79/24/37/952792437.db2.gz REYMDXXRXRBGCK-XWIASGKRSA-N -1 1 381.400 0.747 20 0 GCADMM CCc1ocnc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571171814 952798495 /nfs/dbraw/zinc/79/84/95/952798495.db2.gz XGDUWIKFFLEDQL-PHIMTYICSA-N -1 1 381.400 0.701 20 0 GCADMM COc1ncccc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571174569 952810508 /nfs/dbraw/zinc/81/05/08/952810508.db2.gz AOFCQMAGWOMPGY-PHIMTYICSA-N -1 1 381.400 0.103 20 0 GCADMM COc1nc(C)ccc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571174592 952810899 /nfs/dbraw/zinc/81/08/99/952810899.db2.gz BEVGAWFKZBLVEF-XYPYZODXSA-N -1 1 381.400 0.742 20 0 GCADMM COc1nc(C)ccc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571174592 952810903 /nfs/dbraw/zinc/81/09/03/952810903.db2.gz BEVGAWFKZBLVEF-XYPYZODXSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1cc(C)c(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(=O)[nH]1 ZINC001571174649 952810953 /nfs/dbraw/zinc/81/09/53/952810953.db2.gz DHHAVKDHLCNEAC-UHFFFAOYSA-N -1 1 381.400 0.337 20 0 GCADMM Cc1cc(C)c(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(=O)[nH]1 ZINC001571174649 952810962 /nfs/dbraw/zinc/81/09/62/952810962.db2.gz DHHAVKDHLCNEAC-UHFFFAOYSA-N -1 1 381.400 0.337 20 0 GCADMM COc1cccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571174642 952811731 /nfs/dbraw/zinc/81/17/31/952811731.db2.gz CXHBZXKJHAPWJE-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571174642 952811738 /nfs/dbraw/zinc/81/17/38/952811738.db2.gz CXHBZXKJHAPWJE-NSHDSACASA-N -1 1 381.400 0.777 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)c(=O)[nH]1 ZINC001571174631 952811894 /nfs/dbraw/zinc/81/18/94/952811894.db2.gz CHMJFOMKLYFHCH-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)c(=O)[nH]1 ZINC001571174631 952811901 /nfs/dbraw/zinc/81/19/01/952811901.db2.gz CHMJFOMKLYFHCH-NSHDSACASA-N -1 1 381.400 0.417 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)c2ncccc2O)CC1 ZINC001571174635 952812028 /nfs/dbraw/zinc/81/20/28/952812028.db2.gz CKDRULXMGSABAV-UHFFFAOYSA-N -1 1 381.400 0.498 20 0 GCADMM CN(c1nccnc1-c1nn[nH]n1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001571174635 952812032 /nfs/dbraw/zinc/81/20/32/952812032.db2.gz CKDRULXMGSABAV-UHFFFAOYSA-N -1 1 381.400 0.498 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)ccn1 ZINC001571174676 952812675 /nfs/dbraw/zinc/81/26/75/952812675.db2.gz DZPLQDQDKFYFII-LBPRGKRZSA-N -1 1 381.400 0.411 20 0 GCADMM COc1cc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)ccn1 ZINC001571174676 952812680 /nfs/dbraw/zinc/81/26/80/952812680.db2.gz DZPLQDQDKFYFII-LBPRGKRZSA-N -1 1 381.400 0.411 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)no1 ZINC001571174671 952812694 /nfs/dbraw/zinc/81/26/94/952812694.db2.gz DXQCMKTUVYMQBZ-DIFFPNOSSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1cc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)no1 ZINC001571174671 952812700 /nfs/dbraw/zinc/81/27/00/952812700.db2.gz DXQCMKTUVYMQBZ-DIFFPNOSSA-N -1 1 381.400 0.552 20 0 GCADMM Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001571174794 952813840 /nfs/dbraw/zinc/81/38/40/952813840.db2.gz IITGWGRKIOIHHU-LLVKDONJSA-N -1 1 381.400 0.322 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571174816 952814332 /nfs/dbraw/zinc/81/43/32/952814332.db2.gz JAKNBFIRBISZSQ-LLVKDONJSA-N -1 1 381.400 0.635 20 0 GCADMM COc1cccnc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571174816 952814338 /nfs/dbraw/zinc/81/43/38/952814338.db2.gz JAKNBFIRBISZSQ-LLVKDONJSA-N -1 1 381.400 0.635 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571174837 952815978 /nfs/dbraw/zinc/81/59/78/952815978.db2.gz JWLLVEWEHSDVNU-PWSUYJOCSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571174837 952815983 /nfs/dbraw/zinc/81/59/83/952815983.db2.gz JWLLVEWEHSDVNU-PWSUYJOCSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)n1 ZINC001571175111 952817846 /nfs/dbraw/zinc/81/78/46/952817846.db2.gz PPSPMFQNSWXLMP-QWRGUYRKSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)n1 ZINC001571175111 952817853 /nfs/dbraw/zinc/81/78/53/952817853.db2.gz PPSPMFQNSWXLMP-QWRGUYRKSA-N -1 1 381.400 0.775 20 0 GCADMM Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(=O)[nH]1 ZINC001571175142 952818719 /nfs/dbraw/zinc/81/87/19/952818719.db2.gz QQAMASDYOPQJBS-PHIMTYICSA-N -1 1 381.400 0.686 20 0 GCADMM Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(=O)[nH]1 ZINC001571175142 952818727 /nfs/dbraw/zinc/81/87/27/952818727.db2.gz QQAMASDYOPQJBS-PHIMTYICSA-N -1 1 381.400 0.686 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)no1 ZINC001571175296 952820039 /nfs/dbraw/zinc/82/00/39/952820039.db2.gz RSOOCUFBPZTWMN-BZPMIXESSA-N -1 1 381.400 0.422 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)no1 ZINC001571175296 952820044 /nfs/dbraw/zinc/82/00/44/952820044.db2.gz RSOOCUFBPZTWMN-BZPMIXESSA-N -1 1 381.400 0.422 20 0 GCADMM O=C(NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1cc[nH]c(=O)c1 ZINC001571175332 952820101 /nfs/dbraw/zinc/82/01/01/952820101.db2.gz AWESHVBNLRSXHR-UHFFFAOYSA-N -1 1 381.400 0.332 20 0 GCADMM COc1cccnc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571175367 952820685 /nfs/dbraw/zinc/82/06/85/952820685.db2.gz UIGGFXMUTYNQJQ-XYPYZODXSA-N -1 1 381.400 0.681 20 0 GCADMM COc1cccnc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571175367 952820692 /nfs/dbraw/zinc/82/06/92/952820692.db2.gz UIGGFXMUTYNQJQ-XYPYZODXSA-N -1 1 381.400 0.681 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)c[nH]1 ZINC001571175353 952821482 /nfs/dbraw/zinc/82/14/82/952821482.db2.gz UCQCAVGLCPHSDA-QWRGUYRKSA-N -1 1 381.400 0.369 20 0 GCADMM Cc1cc(=O)c(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)c[nH]1 ZINC001571175353 952821488 /nfs/dbraw/zinc/82/14/88/952821488.db2.gz UCQCAVGLCPHSDA-QWRGUYRKSA-N -1 1 381.400 0.369 20 0 GCADMM COc1ncccc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571175614 952823743 /nfs/dbraw/zinc/82/37/43/952823743.db2.gz XFFXBWAXGXFVBH-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM COc1ncccc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571175614 952823748 /nfs/dbraw/zinc/82/37/48/952823748.db2.gz XFFXBWAXGXFVBH-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccnc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571175601 952824046 /nfs/dbraw/zinc/82/40/46/952824046.db2.gz WTPWNYGQCHKFAF-UHFFFAOYSA-N -1 1 381.400 0.459 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cc[nH]c(=O)c1 ZINC001571175671 952824282 /nfs/dbraw/zinc/82/42/82/952824282.db2.gz DSYXKIINCHYMLP-GFCCVEGCSA-N -1 1 381.400 0.546 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cc[nH]c(=O)c1 ZINC001571175671 952824285 /nfs/dbraw/zinc/82/42/85/952824285.db2.gz DSYXKIINCHYMLP-GFCCVEGCSA-N -1 1 381.400 0.546 20 0 GCADMM COc1ccnc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c1 ZINC001571175727 952824496 /nfs/dbraw/zinc/82/44/96/952824496.db2.gz YHKXFCVEHKHGBK-QMTHXVAHSA-N -1 1 381.400 0.315 20 0 GCADMM COc1ccnc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001571175727 952824503 /nfs/dbraw/zinc/82/45/03/952824503.db2.gz YHKXFCVEHKHGBK-QMTHXVAHSA-N -1 1 381.400 0.315 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(C2CC2)on1 ZINC001571175687 952824911 /nfs/dbraw/zinc/82/49/11/952824911.db2.gz FEJOKAZKABRWIP-JTQLQIEISA-N -1 1 381.400 0.778 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(C2CC2)on1 ZINC001571175687 952824916 /nfs/dbraw/zinc/82/49/16/952824916.db2.gz FEJOKAZKABRWIP-JTQLQIEISA-N -1 1 381.400 0.778 20 0 GCADMM Cc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571175755 952825105 /nfs/dbraw/zinc/82/51/05/952825105.db2.gz YNSNUZQNKGGINV-WZRBSPASSA-N -1 1 381.400 0.801 20 0 GCADMM Cc1ncoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571175755 952825112 /nfs/dbraw/zinc/82/51/12/952825112.db2.gz YNSNUZQNKGGINV-WZRBSPASSA-N -1 1 381.400 0.801 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1)c1ncccc1[O-] ZINC001571175679 952825195 /nfs/dbraw/zinc/82/51/95/952825195.db2.gz DZZMLDBQECMNAI-QWRGUYRKSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(C2CC2)on1 ZINC001571175688 952825298 /nfs/dbraw/zinc/82/52/98/952825298.db2.gz FEJOKAZKABRWIP-SNVBAGLBSA-N -1 1 381.400 0.778 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(C2CC2)on1 ZINC001571175688 952825304 /nfs/dbraw/zinc/82/53/04/952825304.db2.gz FEJOKAZKABRWIP-SNVBAGLBSA-N -1 1 381.400 0.778 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1)c1cnco1 ZINC001571175898 952826017 /nfs/dbraw/zinc/82/60/17/952826017.db2.gz HGEGABDAEXEBHB-SDDRHHMPSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1)c1cnco1 ZINC001571175898 952826023 /nfs/dbraw/zinc/82/60/23/952826023.db2.gz HGEGABDAEXEBHB-SDDRHHMPSA-N -1 1 381.400 0.680 20 0 GCADMM Cc1nc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)co1 ZINC001571175765 952826367 /nfs/dbraw/zinc/82/63/67/952826367.db2.gz GVOOHNKOOAWEEK-ZDUSSCGKSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1nc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)co1 ZINC001571175765 952826372 /nfs/dbraw/zinc/82/63/72/952826372.db2.gz GVOOHNKOOAWEEK-ZDUSSCGKSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1conc1C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571175914 952826680 /nfs/dbraw/zinc/82/66/80/952826680.db2.gz HXKXQTMHSWHLAW-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM Cc1conc1C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571175914 952826685 /nfs/dbraw/zinc/82/66/85/952826685.db2.gz HXKXQTMHSWHLAW-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM O=C(Cc1cnoc1)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571175974 952827987 /nfs/dbraw/zinc/82/79/87/952827987.db2.gz KHGFHHACFXTTGJ-STQMWFEESA-N -1 1 381.400 0.315 20 0 GCADMM O=C(Cc1cnoc1)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571175974 952827989 /nfs/dbraw/zinc/82/79/89/952827989.db2.gz KHGFHHACFXTTGJ-STQMWFEESA-N -1 1 381.400 0.315 20 0 GCADMM O=C(Cc1ccon1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571176108 952828498 /nfs/dbraw/zinc/82/84/98/952828498.db2.gz LGBQXWBSKJKDAD-NEPJUHHUSA-N -1 1 381.400 0.172 20 0 GCADMM O=C(Cc1ccon1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571176108 952828502 /nfs/dbraw/zinc/82/85/02/952828502.db2.gz LGBQXWBSKJKDAD-NEPJUHHUSA-N -1 1 381.400 0.172 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1onc2c1CCCC2 ZINC001571175939 952828699 /nfs/dbraw/zinc/82/86/99/952828699.db2.gz IXGIDBIEELXYPS-AOOOYVTPSA-N -1 1 381.400 0.896 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1onc2c1CCCC2 ZINC001571175939 952828708 /nfs/dbraw/zinc/82/87/08/952828708.db2.gz IXGIDBIEELXYPS-AOOOYVTPSA-N -1 1 381.400 0.896 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ocnc1C1CC1 ZINC001571176291 952829170 /nfs/dbraw/zinc/82/91/70/952829170.db2.gz OEDGMGMCOIRUQS-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ocnc1C1CC1 ZINC001571176291 952829176 /nfs/dbraw/zinc/82/91/76/952829176.db2.gz OEDGMGMCOIRUQS-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1)c1ncccc1[O-] ZINC001571176150 952829285 /nfs/dbraw/zinc/82/92/85/952829285.db2.gz MSTBBXXUILJDBJ-MNOVXSKESA-N -1 1 381.400 0.768 20 0 GCADMM O=C(Cc1ccon1)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571176348 952830394 /nfs/dbraw/zinc/83/03/94/952830394.db2.gz QDKDAUBYDRBWHI-DYVFJYSZSA-N -1 1 381.400 0.505 20 0 GCADMM O=C(Cc1ccon1)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571176348 952830398 /nfs/dbraw/zinc/83/03/98/952830398.db2.gz QDKDAUBYDRBWHI-DYVFJYSZSA-N -1 1 381.400 0.505 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571176487 952832095 /nfs/dbraw/zinc/83/20/95/952832095.db2.gz RRQIRGAGSLPYEX-ZDUSSCGKSA-N -1 1 381.400 0.363 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571176487 952832099 /nfs/dbraw/zinc/83/20/99/952832099.db2.gz RRQIRGAGSLPYEX-ZDUSSCGKSA-N -1 1 381.400 0.363 20 0 GCADMM Cc1conc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571176583 952832806 /nfs/dbraw/zinc/83/28/06/952832806.db2.gz VGYXUMRPGOUIIU-RYUDHWBXSA-N -1 1 381.400 0.837 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1noc2c1CCCC2 ZINC001571176599 952833256 /nfs/dbraw/zinc/83/32/56/952833256.db2.gz VPOAOULZIMVOJM-SNVBAGLBSA-N -1 1 381.400 0.532 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1noc2c1CCCC2 ZINC001571176599 952833259 /nfs/dbraw/zinc/83/32/59/952833259.db2.gz VPOAOULZIMVOJM-SNVBAGLBSA-N -1 1 381.400 0.532 20 0 GCADMM O=C(N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001571176561 952833712 /nfs/dbraw/zinc/83/37/12/952833712.db2.gz UVSGRDLPEMXANX-PWSUYJOCSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cc[nH]c(=O)c1 ZINC001571176561 952833714 /nfs/dbraw/zinc/83/37/14/952833714.db2.gz UVSGRDLPEMXANX-PWSUYJOCSA-N -1 1 381.400 0.768 20 0 GCADMM Cn1ccc(=O)c(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571176838 952834528 /nfs/dbraw/zinc/83/45/28/952834528.db2.gz YOKUYPAXWXXALC-UHFFFAOYSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1ccc(=O)c(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571176838 952834532 /nfs/dbraw/zinc/83/45/32/952834532.db2.gz YOKUYPAXWXXALC-UHFFFAOYSA-N -1 1 381.400 0.072 20 0 GCADMM O=C(c1ccon1)N1C[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001571178290 952838595 /nfs/dbraw/zinc/83/85/95/952838595.db2.gz FIELRGRWPMBQON-TUAOUCFPSA-N -1 1 381.400 0.419 20 0 GCADMM O=C(c1ccon1)N1C[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C1 ZINC001571178289 952838799 /nfs/dbraw/zinc/83/87/99/952838799.db2.gz FIELRGRWPMBQON-SRVKXCTJSA-N -1 1 381.400 0.419 20 0 GCADMM O=C(c1ncoc1C1CC1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571178520 952841870 /nfs/dbraw/zinc/84/18/70/952841870.db2.gz LQVAFSMZQXAZOY-NSHDSACASA-N -1 1 381.400 0.661 20 0 GCADMM O=C(c1onc2c1CCCC2)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178588 952843488 /nfs/dbraw/zinc/84/34/88/952843488.db2.gz NWKQZCSEVHYLEM-JTQLQIEISA-N -1 1 381.400 0.850 20 0 GCADMM O=C(c1onc2c1CCCC2)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178588 952843494 /nfs/dbraw/zinc/84/34/94/952843494.db2.gz NWKQZCSEVHYLEM-JTQLQIEISA-N -1 1 381.400 0.850 20 0 GCADMM Nc1nccnc1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571178905 952849474 /nfs/dbraw/zinc/84/94/74/952849474.db2.gz XKTXCIWUBXHNFA-JTQLQIEISA-N -1 1 381.404 0.136 20 0 GCADMM Nc1nccnc1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571178905 952849480 /nfs/dbraw/zinc/84/94/80/952849480.db2.gz XKTXCIWUBXHNFA-JTQLQIEISA-N -1 1 381.404 0.136 20 0 GCADMM CCc1c(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571183612 952881297 /nfs/dbraw/zinc/88/12/97/952881297.db2.gz FNVHPASKQUXRHP-LBPRGKRZSA-N -1 1 381.444 0.814 20 0 GCADMM CCc1c(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)ccn1C ZINC001571184227 952888884 /nfs/dbraw/zinc/88/88/84/952888884.db2.gz UFTVGYAVOVVSHL-LBPRGKRZSA-N -1 1 381.444 0.956 20 0 GCADMM CCc1c(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)ccn1C ZINC001571184227 952888892 /nfs/dbraw/zinc/88/88/92/952888892.db2.gz UFTVGYAVOVVSHL-LBPRGKRZSA-N -1 1 381.444 0.956 20 0 GCADMM CCn1ccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1C ZINC001571184813 952897000 /nfs/dbraw/zinc/89/70/00/952897000.db2.gz DHNBOWZIICFJSF-YPMHNXCESA-N -1 1 381.444 0.924 20 0 GCADMM Cc1nsc(NC[C@@H]2CN(C(=O)CC(C)(C)O)CCO2)c1-c1nn[n-]n1 ZINC001571188963 952922659 /nfs/dbraw/zinc/92/26/59/952922659.db2.gz KVOWYZMRJNILRY-SNVBAGLBSA-N -1 1 381.462 0.432 20 0 GCADMM Cc1ccn(C)c1C(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571189307 952927749 /nfs/dbraw/zinc/92/77/49/952927749.db2.gz URZDVWZEOAIPBM-QWHCGFSZSA-N -1 1 381.444 0.546 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571193784 952953115 /nfs/dbraw/zinc/95/31/15/952953115.db2.gz CEZVOGZNZFEQHC-JGZJWPJOSA-N -1 1 382.388 0.081 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571193784 952953119 /nfs/dbraw/zinc/95/31/19/952953119.db2.gz CEZVOGZNZFEQHC-JGZJWPJOSA-N -1 1 382.388 0.081 20 0 GCADMM O=C(NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1ccc2c(c1)CCC2 ZINC001571193942 952955718 /nfs/dbraw/zinc/95/57/18/952955718.db2.gz BHYKTXVSGRFYGC-UHFFFAOYSA-N -1 1 382.384 0.439 20 0 GCADMM Cc1cc(=O)oc(C)c1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194018 952956384 /nfs/dbraw/zinc/95/63/84/952956384.db2.gz DZVBLTZZKKMHED-NSHDSACASA-N -1 1 382.384 0.235 20 0 GCADMM Cc1cc(=O)oc(C)c1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194018 952956393 /nfs/dbraw/zinc/95/63/93/952956393.db2.gz DZVBLTZZKKMHED-NSHDSACASA-N -1 1 382.384 0.235 20 0 GCADMM COc1cncc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571194126 952958301 /nfs/dbraw/zinc/95/83/01/952958301.db2.gz IWURGXMRGRHKNW-UHFFFAOYSA-N -1 1 382.388 0.172 20 0 GCADMM COc1cncc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571194126 952958309 /nfs/dbraw/zinc/95/83/09/952958309.db2.gz IWURGXMRGRHKNW-UHFFFAOYSA-N -1 1 382.388 0.172 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194162 952958373 /nfs/dbraw/zinc/95/83/73/952958373.db2.gz JHZZOBLQNJRVNS-AOOOYVTPSA-N -1 1 382.388 0.081 20 0 GCADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)c1cnon1 ZINC001571194103 952958399 /nfs/dbraw/zinc/95/83/99/952958399.db2.gz IPGXMRWHSWTNAM-JGPRNRPPSA-N -1 1 382.388 0.217 20 0 GCADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)c1cnon1 ZINC001571194103 952958401 /nfs/dbraw/zinc/95/84/01/952958401.db2.gz IPGXMRWHSWTNAM-JGPRNRPPSA-N -1 1 382.388 0.217 20 0 GCADMM COC(=O)c1ccc2c(c1)N(C(=O)[C@H](C)n1cnc(-c3nn[n-]n3)n1)CCC2 ZINC001571194105 952958836 /nfs/dbraw/zinc/95/88/36/952958836.db2.gz GLLWHYSBNBJJTA-JTQLQIEISA-N -1 1 382.384 0.785 20 0 GCADMM COc1ncc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)cn1 ZINC001571194227 952959338 /nfs/dbraw/zinc/95/93/38/952959338.db2.gz JZXDSKHKHNXBTE-KOLCDFICSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ncc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)cn1 ZINC001571194227 952959341 /nfs/dbraw/zinc/95/93/41/952959341.db2.gz JZXDSKHKHNXBTE-KOLCDFICSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)cn1 ZINC001571194228 952959402 /nfs/dbraw/zinc/95/94/02/952959402.db2.gz JZXDSKHKHNXBTE-MWLCHTKSSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)cn1 ZINC001571194228 952959404 /nfs/dbraw/zinc/95/94/04/952959404.db2.gz JZXDSKHKHNXBTE-MWLCHTKSSA-N -1 1 382.388 0.170 20 0 GCADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N[C@H](c1cccnc1)C1CC1 ZINC001571194644 952966243 /nfs/dbraw/zinc/96/62/43/952966243.db2.gz PKNDCSLTIMNORZ-AWEZNQCLSA-N -1 1 382.384 0.182 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194754 952968031 /nfs/dbraw/zinc/96/80/31/952968031.db2.gz RYQIFBTZAFZWKG-JTQLQIEISA-N -1 1 382.388 0.117 20 0 GCADMM O=C(c1cn[nH]c(=O)c1)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194754 952968038 /nfs/dbraw/zinc/96/80/38/952968038.db2.gz RYQIFBTZAFZWKG-JTQLQIEISA-N -1 1 382.388 0.117 20 0 GCADMM COc1ccc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571194764 952968111 /nfs/dbraw/zinc/96/81/11/952968111.db2.gz SCFPKDZBQWHTOJ-UHFFFAOYSA-N -1 1 382.388 0.076 20 0 GCADMM COc1ccc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571194764 952968115 /nfs/dbraw/zinc/96/81/15/952968115.db2.gz SCFPKDZBQWHTOJ-UHFFFAOYSA-N -1 1 382.388 0.076 20 0 GCADMM COc1ccc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)nn1 ZINC001571194813 952968306 /nfs/dbraw/zinc/96/83/06/952968306.db2.gz UBFSZCPKWWMUDI-ZJUUUORDSA-N -1 1 382.388 0.170 20 0 GCADMM COc1ccc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)nn1 ZINC001571194813 952968309 /nfs/dbraw/zinc/96/83/09/952968309.db2.gz UBFSZCPKWWMUDI-ZJUUUORDSA-N -1 1 382.388 0.170 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194776 952968393 /nfs/dbraw/zinc/96/83/93/952968393.db2.gz SSHGOLXLSXNNDZ-JTQLQIEISA-N -1 1 382.388 0.035 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194776 952968398 /nfs/dbraw/zinc/96/83/98/952968398.db2.gz SSHGOLXLSXNNDZ-JTQLQIEISA-N -1 1 382.388 0.035 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001571194851 952969608 /nfs/dbraw/zinc/96/96/08/952969608.db2.gz SXNQTQDPRVLHGD-VHSXEESVSA-N -1 1 382.384 0.328 20 0 GCADMM CC1(C)CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571195088 952974200 /nfs/dbraw/zinc/97/42/00/952974200.db2.gz YBEFQMRASMCMNS-LLVKDONJSA-N -1 1 382.388 0.115 20 0 GCADMM CC1(C)CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571195088 952974203 /nfs/dbraw/zinc/97/42/03/952974203.db2.gz YBEFQMRASMCMNS-LLVKDONJSA-N -1 1 382.388 0.115 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)ncn1 ZINC001571195183 952974836 /nfs/dbraw/zinc/97/48/36/952974836.db2.gz YXRFNIAUOOGNIN-VHSXEESVSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)ncn1 ZINC001571195183 952974843 /nfs/dbraw/zinc/97/48/43/952974843.db2.gz YXRFNIAUOOGNIN-VHSXEESVSA-N -1 1 382.388 0.170 20 0 GCADMM O=C(N[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnc[nH]c1=O ZINC001571195170 952975543 /nfs/dbraw/zinc/97/55/43/952975543.db2.gz YRPFYRAFVYZCQR-UWVGGRQHSA-N -1 1 382.388 0.305 20 0 GCADMM O=C(N[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnc[nH]c1=O ZINC001571195170 952975547 /nfs/dbraw/zinc/97/55/47/952975547.db2.gz YRPFYRAFVYZCQR-UWVGGRQHSA-N -1 1 382.388 0.305 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001571199489 953000420 /nfs/dbraw/zinc/00/04/20/953000420.db2.gz SPDAKXWGSKSYEK-JWAKXMNJSA-N -1 1 382.428 0.083 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001571199489 953000423 /nfs/dbraw/zinc/00/04/23/953000423.db2.gz SPDAKXWGSKSYEK-JWAKXMNJSA-N -1 1 382.428 0.083 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)Cn3ccnc3)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571204572 953030229 /nfs/dbraw/zinc/03/02/29/953030229.db2.gz BGCPAIGABGPOTD-RYUDHWBXSA-N -1 1 382.432 0.517 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571204573 953030267 /nfs/dbraw/zinc/03/02/67/953030267.db2.gz BGCPAIGABGPOTD-VXGBXAGGSA-N -1 1 382.432 0.517 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571204601 953030932 /nfs/dbraw/zinc/03/09/32/953030932.db2.gz BLADCBQFIAECGX-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571204601 953030937 /nfs/dbraw/zinc/03/09/37/953030937.db2.gz BLADCBQFIAECGX-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571204848 953032627 /nfs/dbraw/zinc/03/26/27/953032627.db2.gz CXBQJUYKBNWOPO-WCQYABFASA-N -1 1 382.432 0.165 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571204907 953033713 /nfs/dbraw/zinc/03/37/13/953033713.db2.gz FMYUHCLNCIYCTF-GXFFZTMASA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571204907 953033717 /nfs/dbraw/zinc/03/37/17/953033717.db2.gz FMYUHCLNCIYCTF-GXFFZTMASA-N -1 1 382.432 0.668 20 0 GCADMM CCn1cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)n1 ZINC001571204891 953034106 /nfs/dbraw/zinc/03/41/06/953034106.db2.gz FFDSWOBEKHREAC-GFCCVEGCSA-N -1 1 382.432 0.320 20 0 GCADMM O=C(C1=COCCC1)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571204934 953034199 /nfs/dbraw/zinc/03/41/99/953034199.db2.gz DLHJBGORAUWIFT-KBPBESRZSA-N -1 1 382.428 0.921 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001571205331 953036817 /nfs/dbraw/zinc/03/68/17/953036817.db2.gz HAGJLSSPCPAWTF-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001571205331 953036820 /nfs/dbraw/zinc/03/68/20/953036820.db2.gz HAGJLSSPCPAWTF-YPMHNXCESA-N -1 1 382.432 0.231 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571205492 953039068 /nfs/dbraw/zinc/03/90/68/953039068.db2.gz KBIWFHAPOPVEBD-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571205492 953039070 /nfs/dbraw/zinc/03/90/70/953039070.db2.gz KBIWFHAPOPVEBD-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM CCCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205580 953039114 /nfs/dbraw/zinc/03/91/14/953039114.db2.gz LFAMXRUUKQJMJZ-LLVKDONJSA-N -1 1 382.432 0.649 20 0 GCADMM CCCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205580 953039118 /nfs/dbraw/zinc/03/91/18/953039118.db2.gz LFAMXRUUKQJMJZ-LLVKDONJSA-N -1 1 382.432 0.649 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)n1 ZINC001571205500 953039141 /nfs/dbraw/zinc/03/91/41/953039141.db2.gz KHDMWOUDCGNBBK-YGRLFVJLSA-N -1 1 382.432 0.754 20 0 GCADMM CCn1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)n1 ZINC001571205500 953039145 /nfs/dbraw/zinc/03/91/45/953039145.db2.gz KHDMWOUDCGNBBK-YGRLFVJLSA-N -1 1 382.432 0.754 20 0 GCADMM C[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCn2ccnc2)C1 ZINC001571205495 953039351 /nfs/dbraw/zinc/03/93/51/953039351.db2.gz KFLJTJSLGKFKJR-KRWDZBQOSA-N -1 1 382.432 0.594 20 0 GCADMM C[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCn2ccnc2)C1 ZINC001571205495 953039356 /nfs/dbraw/zinc/03/93/56/953039356.db2.gz KFLJTJSLGKFKJR-KRWDZBQOSA-N -1 1 382.432 0.594 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cnn(CC)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571205621 953039912 /nfs/dbraw/zinc/03/99/12/953039912.db2.gz LSEORGDGBXTXGC-LBPRGKRZSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cnn(CC)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571205621 953039916 /nfs/dbraw/zinc/03/99/16/953039916.db2.gz LSEORGDGBXTXGC-LBPRGKRZSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cnn(C)c1 ZINC001571205598 953039965 /nfs/dbraw/zinc/03/99/65/953039965.db2.gz JWJRPWQAYPJDIU-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cnn(C)c1 ZINC001571205598 953039970 /nfs/dbraw/zinc/03/99/70/953039970.db2.gz JWJRPWQAYPJDIU-WCQYABFASA-N -1 1 382.432 0.597 20 0 GCADMM CC[C@H]1CN(C(=O)c2n[nH]cc2C)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571205599 953040220 /nfs/dbraw/zinc/04/02/20/953040220.db2.gz LMSFJLSKHPZLSC-NWDGAFQWSA-N -1 1 382.432 0.463 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001571205641 953040609 /nfs/dbraw/zinc/04/06/09/953040609.db2.gz MJFCINVVIDLAKS-LBPRGKRZSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571205641 953040611 /nfs/dbraw/zinc/04/06/11/953040611.db2.gz MJFCINVVIDLAKS-LBPRGKRZSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205709 953040924 /nfs/dbraw/zinc/04/09/24/953040924.db2.gz NFKNZQPNRYHATQ-QGZVFWFLSA-N -1 1 382.432 0.649 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205709 953040930 /nfs/dbraw/zinc/04/09/30/953040930.db2.gz NFKNZQPNRYHATQ-QGZVFWFLSA-N -1 1 382.432 0.649 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571205684 953041486 /nfs/dbraw/zinc/04/14/86/953041486.db2.gz KSHJOHLZBRLOMP-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205684 953041488 /nfs/dbraw/zinc/04/14/88/953041488.db2.gz KSHJOHLZBRLOMP-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205784 953042130 /nfs/dbraw/zinc/04/21/30/953042130.db2.gz MAFODXLRKJQUNO-XYPYZODXSA-N -1 1 382.432 0.403 20 0 GCADMM Cc1ccnn1CC(=O)NC1CC(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205824 953042443 /nfs/dbraw/zinc/04/24/43/953042443.db2.gz BOEWLVOKNUIHKJ-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM Cc1ccnn1CC(=O)NC1CC(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205824 953042450 /nfs/dbraw/zinc/04/24/50/953042450.db2.gz BOEWLVOKNUIHKJ-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)[C@@H](C)C2)n1 ZINC001571205852 953043977 /nfs/dbraw/zinc/04/39/77/953043977.db2.gz CBTZOEYNEVKTOX-RYUDHWBXSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571205852 953043979 /nfs/dbraw/zinc/04/39/79/953043979.db2.gz CBTZOEYNEVKTOX-RYUDHWBXSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)[C@@H](C)C2)n1 ZINC001571205851 953044135 /nfs/dbraw/zinc/04/41/35/953044135.db2.gz CBTZOEYNEVKTOX-NWDGAFQWSA-N -1 1 382.432 0.784 20 0 GCADMM Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571205851 953044137 /nfs/dbraw/zinc/04/41/37/953044137.db2.gz CBTZOEYNEVKTOX-NWDGAFQWSA-N -1 1 382.432 0.784 20 0 GCADMM CCCn1cc(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001571205919 953045198 /nfs/dbraw/zinc/04/51/98/953045198.db2.gz OJQOEGOBVGJDOA-UHFFFAOYSA-N -1 1 382.432 0.616 20 0 GCADMM CCCn1cc(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001571205919 953045200 /nfs/dbraw/zinc/04/52/00/953045200.db2.gz OJQOEGOBVGJDOA-UHFFFAOYSA-N -1 1 382.432 0.616 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571205946 953045262 /nfs/dbraw/zinc/04/52/62/953045262.db2.gz OWHWCXVANIJSRO-NSHDSACASA-N -1 1 382.432 0.527 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571205946 953045270 /nfs/dbraw/zinc/04/52/70/953045270.db2.gz OWHWCXVANIJSRO-NSHDSACASA-N -1 1 382.432 0.527 20 0 GCADMM CCc1nn(C)cc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571206063 953045845 /nfs/dbraw/zinc/04/58/45/953045845.db2.gz RIHAYTXIATYOKA-NSHDSACASA-N -1 1 382.432 0.209 20 0 GCADMM CCc1nn(C)cc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571206063 953045849 /nfs/dbraw/zinc/04/58/49/953045849.db2.gz RIHAYTXIATYOKA-NSHDSACASA-N -1 1 382.432 0.209 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571206013 953045927 /nfs/dbraw/zinc/04/59/27/953045927.db2.gz QSWLQRJFZTWQSF-MNOVXSKESA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571206013 953045931 /nfs/dbraw/zinc/04/59/31/953045931.db2.gz QSWLQRJFZTWQSF-MNOVXSKESA-N -1 1 382.432 0.668 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H](C)n3cccn3)[C@H]2C)n1 ZINC001571206131 953047042 /nfs/dbraw/zinc/04/70/42/953047042.db2.gz DNJQUQBAPFXKEE-UPJWGTAASA-N -1 1 382.432 0.506 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H](C)n3cccn3)[C@H]2C)n1 ZINC001571206131 953047048 /nfs/dbraw/zinc/04/70/48/953047048.db2.gz DNJQUQBAPFXKEE-UPJWGTAASA-N -1 1 382.432 0.506 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cncn1C ZINC001571206085 953047202 /nfs/dbraw/zinc/04/72/02/953047202.db2.gz ROFZBYOFPGJDFU-VXGBXAGGSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cncn1C ZINC001571206085 953047204 /nfs/dbraw/zinc/04/72/04/953047204.db2.gz ROFZBYOFPGJDFU-VXGBXAGGSA-N -1 1 382.432 0.424 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccnn3CC)C2)cc(-c2nnn[n-]2)n1 ZINC001571206198 953047948 /nfs/dbraw/zinc/04/79/48/953047948.db2.gz SDOFZCQUSOVLPZ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccnn3CC)C2)cc(-c2nn[n-]n2)n1 ZINC001571206198 953047952 /nfs/dbraw/zinc/04/79/52/953047952.db2.gz SDOFZCQUSOVLPZ-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cn[nH]c2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571206215 953048212 /nfs/dbraw/zinc/04/82/12/953048212.db2.gz SFEQWHHTNCINRB-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H]1CN(C(=O)CCc2cn[nH]c2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571206215 953048214 /nfs/dbraw/zinc/04/82/14/953048214.db2.gz SFEQWHHTNCINRB-DGCLKSJQSA-N -1 1 382.432 0.662 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001571206183 953048330 /nfs/dbraw/zinc/04/83/30/953048330.db2.gz MVCFQOUWSDYURX-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001571206183 953048331 /nfs/dbraw/zinc/04/83/31/953048331.db2.gz MVCFQOUWSDYURX-STQMWFEESA-N -1 1 382.432 0.765 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001571206167 953048343 /nfs/dbraw/zinc/04/83/43/953048343.db2.gz RYUFQPZINBLDFY-GFCCVEGCSA-N -1 1 382.432 0.351 20 0 GCADMM CCc1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571206167 953048345 /nfs/dbraw/zinc/04/83/45/953048345.db2.gz RYUFQPZINBLDFY-GFCCVEGCSA-N -1 1 382.432 0.351 20 0 GCADMM Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206306 953049208 /nfs/dbraw/zinc/04/92/08/953049208.db2.gz FLJVBUNGZQOTTD-ZYHUDNBSSA-N -1 1 382.432 0.320 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571206270 953049271 /nfs/dbraw/zinc/04/92/71/953049271.db2.gz SSHYSUGMRRZYFS-GFCCVEGCSA-N -1 1 382.432 0.588 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571206270 953049276 /nfs/dbraw/zinc/04/92/76/953049276.db2.gz SSHYSUGMRRZYFS-GFCCVEGCSA-N -1 1 382.432 0.588 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)Cn3nccc3C)C2)n1 ZINC001571206304 953049490 /nfs/dbraw/zinc/04/94/90/953049490.db2.gz SWFYIGVRZVLOFQ-LBPRGKRZSA-N -1 1 382.432 0.119 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)Cn3nccc3C)C2)n1 ZINC001571206304 953049493 /nfs/dbraw/zinc/04/94/93/953049493.db2.gz SWFYIGVRZVLOFQ-LBPRGKRZSA-N -1 1 382.432 0.119 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001571206375 953050423 /nfs/dbraw/zinc/05/04/23/953050423.db2.gz UKILAFVNQIVILP-NEPJUHHUSA-N -1 1 382.432 0.804 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001571206375 953050426 /nfs/dbraw/zinc/05/04/26/953050426.db2.gz UKILAFVNQIVILP-NEPJUHHUSA-N -1 1 382.432 0.804 20 0 GCADMM CCc1cc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571206440 953051053 /nfs/dbraw/zinc/05/10/53/953051053.db2.gz UPAYFNZATVPYJI-QGZVFWFLSA-N -1 1 382.432 0.351 20 0 GCADMM CC[C@@H](C)n1nccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206456 953051068 /nfs/dbraw/zinc/05/10/68/953051068.db2.gz UUNUEARSGFJQTP-VXGBXAGGSA-N -1 1 382.432 0.833 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206470 953051324 /nfs/dbraw/zinc/05/13/24/953051324.db2.gz UWZAYCFPUJNGPL-WDEREUQCSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1n[nH]cc1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206470 953051327 /nfs/dbraw/zinc/05/13/27/953051327.db2.gz UWZAYCFPUJNGPL-WDEREUQCSA-N -1 1 382.432 0.762 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2)[C@]12C[C@H]1COC2 ZINC001571206415 953051371 /nfs/dbraw/zinc/05/13/71/953051371.db2.gz PBSFVGUIZUDOKU-OAUCMZCXSA-N -1 1 382.428 0.533 20 0 GCADMM O=C(NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2)[C@]12C[C@H]1COC2 ZINC001571206415 953051375 /nfs/dbraw/zinc/05/13/75/953051375.db2.gz PBSFVGUIZUDOKU-OAUCMZCXSA-N -1 1 382.428 0.533 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)CCn3cccn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571206491 953051683 /nfs/dbraw/zinc/05/16/83/953051683.db2.gz UYJRRXVDJHXHCI-LBPRGKRZSA-N -1 1 382.432 0.519 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)CCn3cccn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571206491 953051689 /nfs/dbraw/zinc/05/16/89/953051689.db2.gz UYJRRXVDJHXHCI-LBPRGKRZSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)n(C)n1 ZINC001571206509 953051984 /nfs/dbraw/zinc/05/19/84/953051984.db2.gz HSBLCTGUJIVQNB-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)n(C)n1 ZINC001571206509 953051986 /nfs/dbraw/zinc/05/19/86/953051986.db2.gz HSBLCTGUJIVQNB-GFCCVEGCSA-N -1 1 382.432 0.724 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206610 953052847 /nfs/dbraw/zinc/05/28/47/953052847.db2.gz RTOVSCKFOOAWLR-PHIMTYICSA-N -1 1 382.432 0.981 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206610 953052850 /nfs/dbraw/zinc/05/28/50/953052850.db2.gz RTOVSCKFOOAWLR-PHIMTYICSA-N -1 1 382.432 0.981 20 0 GCADMM CCn1cc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571206646 953053574 /nfs/dbraw/zinc/05/35/74/953053574.db2.gz VVOCRICFELFWOJ-QGZVFWFLSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1cc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571206646 953053575 /nfs/dbraw/zinc/05/35/75/953053575.db2.gz VVOCRICFELFWOJ-QGZVFWFLSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206700 953054013 /nfs/dbraw/zinc/05/40/13/953054013.db2.gz JLNKWFIEGCEJJU-RYUDHWBXSA-N -1 1 382.432 0.306 20 0 GCADMM CCc1n[nH]cc1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206679 953054157 /nfs/dbraw/zinc/05/41/57/953054157.db2.gz WJMNXGPJRLLPKL-NSHDSACASA-N -1 1 382.432 0.589 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206848 953055927 /nfs/dbraw/zinc/05/59/27/953055927.db2.gz LIOVNPZCNXMQJW-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206848 953055931 /nfs/dbraw/zinc/05/59/31/953055931.db2.gz LIOVNPZCNXMQJW-ZYHUDNBSSA-N -1 1 382.432 0.899 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571206823 953055956 /nfs/dbraw/zinc/05/59/56/953055956.db2.gz KYEHFMPHRCSJSV-ZYHUDNBSSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571206823 953055959 /nfs/dbraw/zinc/05/59/59/953055959.db2.gz KYEHFMPHRCSJSV-ZYHUDNBSSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1nccc1C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571206834 953056098 /nfs/dbraw/zinc/05/60/98/953056098.db2.gz LEIOYKJUKFVHKE-UHFFFAOYSA-N -1 1 382.432 0.448 20 0 GCADMM CCN(C(=O)c1nccn1CC)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206818 953056317 /nfs/dbraw/zinc/05/63/17/953056317.db2.gz XQSLKXXRJZYVSP-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCN(C(=O)c1nccn1CC)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206818 953056319 /nfs/dbraw/zinc/05/63/19/953056319.db2.gz XQSLKXXRJZYVSP-LBPRGKRZSA-N -1 1 382.432 0.614 20 0 GCADMM CCc1cc(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)[nH]n1 ZINC001571206888 953056933 /nfs/dbraw/zinc/05/69/33/953056933.db2.gz YPDJQDOJLIGSJM-UHFFFAOYSA-N -1 1 382.432 0.731 20 0 GCADMM CCc1cc(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)[nH]n1 ZINC001571206888 953056936 /nfs/dbraw/zinc/05/69/36/953056936.db2.gz YPDJQDOJLIGSJM-UHFFFAOYSA-N -1 1 382.432 0.731 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206987 953058493 /nfs/dbraw/zinc/05/84/93/953058493.db2.gz YZQZYCWJCFNRAE-GXTWGEPZSA-N -1 1 382.432 0.592 20 0 GCADMM CN(C[C@H]1CCN(C(=O)CCn2ccnc2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571207060 953059427 /nfs/dbraw/zinc/05/94/27/953059427.db2.gz MGZJKLKWMUDKHG-CYBMUJFWSA-N -1 1 382.432 0.228 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571207173 953060120 /nfs/dbraw/zinc/06/01/20/953060120.db2.gz OHLKPNKLYTYMGW-UHFFFAOYSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1nc(C)cc1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571207173 953060122 /nfs/dbraw/zinc/06/01/22/953060122.db2.gz OHLKPNKLYTYMGW-UHFFFAOYSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1ccnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571207234 953060715 /nfs/dbraw/zinc/06/07/15/953060715.db2.gz OUHSBNZFIRMBSO-NEPJUHHUSA-N -1 1 382.432 0.660 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571207268 953061065 /nfs/dbraw/zinc/06/10/65/953061065.db2.gz PHZJWJUNUMVERB-LBPRGKRZSA-N -1 1 382.432 0.581 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1C ZINC001571207195 953061432 /nfs/dbraw/zinc/06/14/32/953061432.db2.gz OSVPFOPAJZUKDW-GFCCVEGCSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c1C ZINC001571207195 953061434 /nfs/dbraw/zinc/06/14/34/953061434.db2.gz OSVPFOPAJZUKDW-GFCCVEGCSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1n[nH]cc1C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571207319 953061616 /nfs/dbraw/zinc/06/16/16/953061616.db2.gz QQRTUJIIYVDTDB-LBPRGKRZSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1n[nH]cc1C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571207319 953061619 /nfs/dbraw/zinc/06/16/19/953061619.db2.gz QQRTUJIIYVDTDB-LBPRGKRZSA-N -1 1 382.432 0.867 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207420 953062548 /nfs/dbraw/zinc/06/25/48/953062548.db2.gz RGBZEFYXLQLWHD-RYUDHWBXSA-N -1 1 382.432 0.448 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC[C@H](CNC(=O)c3cnn(C)c3)C2)n1 ZINC001571207474 953063343 /nfs/dbraw/zinc/06/33/43/953063343.db2.gz SPNDGBZAKMTOKH-WCQYABFASA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@H](CNC(=O)c3cnn(C)c3)C2)n1 ZINC001571207474 953063346 /nfs/dbraw/zinc/06/33/46/953063346.db2.gz SPNDGBZAKMTOKH-WCQYABFASA-N -1 1 382.432 0.709 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571207494 953063475 /nfs/dbraw/zinc/06/34/75/953063475.db2.gz UNBUBPJYNAPXQJ-JOYOIKCWSA-N -1 1 382.432 0.817 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207494 953063481 /nfs/dbraw/zinc/06/34/81/953063481.db2.gz UNBUBPJYNAPXQJ-JOYOIKCWSA-N -1 1 382.432 0.817 20 0 GCADMM CCn1cc(CC(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001571207489 953063659 /nfs/dbraw/zinc/06/36/59/953063659.db2.gz UKNROYNECDKJBT-UHFFFAOYSA-N -1 1 382.432 0.201 20 0 GCADMM CCn1cc(CC(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001571207489 953063661 /nfs/dbraw/zinc/06/36/61/953063661.db2.gz UKNROYNECDKJBT-UHFFFAOYSA-N -1 1 382.432 0.201 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571207495 953063689 /nfs/dbraw/zinc/06/36/89/953063689.db2.gz UNBUBPJYNAPXQJ-SKDRFNHKSA-N -1 1 382.432 0.817 20 0 GCADMM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207495 953063692 /nfs/dbraw/zinc/06/36/92/953063692.db2.gz UNBUBPJYNAPXQJ-SKDRFNHKSA-N -1 1 382.432 0.817 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1cnn(C)c1)c1cncc(-c2nnn[n-]2)n1 ZINC001571207505 953063774 /nfs/dbraw/zinc/06/37/74/953063774.db2.gz VECDVSZYFPHEPO-ZDUSSCGKSA-N -1 1 382.432 0.521 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)c1cnn(C)c1)c1cncc(-c2nn[n-]n2)n1 ZINC001571207505 953063778 /nfs/dbraw/zinc/06/37/78/953063778.db2.gz VECDVSZYFPHEPO-ZDUSSCGKSA-N -1 1 382.432 0.521 20 0 GCADMM Cc1c(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cnn1C ZINC001571207479 953063839 /nfs/dbraw/zinc/06/38/39/953063839.db2.gz TUOXBSMTNOAEBF-CYBMUJFWSA-N -1 1 382.432 0.026 20 0 GCADMM Cc1c(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cnn1C ZINC001571207479 953063842 /nfs/dbraw/zinc/06/38/42/953063842.db2.gz TUOXBSMTNOAEBF-CYBMUJFWSA-N -1 1 382.432 0.026 20 0 GCADMM CCn1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571207439 953063940 /nfs/dbraw/zinc/06/39/40/953063940.db2.gz RPDJDOXNAHMYPQ-VXGBXAGGSA-N -1 1 382.432 0.258 20 0 GCADMM CCn1ncc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1C ZINC001571207514 953064284 /nfs/dbraw/zinc/06/42/84/953064284.db2.gz VHGVWAJQFBNXLK-UHFFFAOYSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1ncc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1C ZINC001571207514 953064288 /nfs/dbraw/zinc/06/42/88/953064288.db2.gz VHGVWAJQFBNXLK-UHFFFAOYSA-N -1 1 382.432 0.898 20 0 GCADMM CCn1nccc1C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571207542 953064308 /nfs/dbraw/zinc/06/43/08/953064308.db2.gz WAHOTPIEYLFPJJ-UHFFFAOYSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1nccc1C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571207542 953064312 /nfs/dbraw/zinc/06/43/12/953064312.db2.gz WAHOTPIEYLFPJJ-UHFFFAOYSA-N -1 1 382.432 0.837 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571207569 953064443 /nfs/dbraw/zinc/06/44/43/953064443.db2.gz XBCMSOHWAOSNSS-NEPJUHHUSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571207569 953064446 /nfs/dbraw/zinc/06/44/46/953064446.db2.gz XBCMSOHWAOSNSS-NEPJUHHUSA-N -1 1 382.432 0.897 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001571207629 953065112 /nfs/dbraw/zinc/06/51/12/953065112.db2.gz YJKFOZUBUGQCOF-CMPLNLGQSA-N -1 1 382.432 0.722 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571207613 953065149 /nfs/dbraw/zinc/06/51/49/953065149.db2.gz XXIWDARPMQMXOJ-ZDUSSCGKSA-N -1 1 382.432 0.518 20 0 GCADMM CCn1nccc1C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001571207613 953065152 /nfs/dbraw/zinc/06/51/52/953065152.db2.gz XXIWDARPMQMXOJ-ZDUSSCGKSA-N -1 1 382.432 0.518 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cn1 ZINC001571207651 953065225 /nfs/dbraw/zinc/06/52/25/953065225.db2.gz ZBFQGLMTPHQHQT-DGCLKSJQSA-N -1 1 382.432 0.517 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cn1 ZINC001571207651 953065229 /nfs/dbraw/zinc/06/52/29/953065229.db2.gz ZBFQGLMTPHQHQT-DGCLKSJQSA-N -1 1 382.432 0.517 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571207595 953065371 /nfs/dbraw/zinc/06/53/71/953065371.db2.gz XODARDZQYNWLRS-VXGBXAGGSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571207595 953065374 /nfs/dbraw/zinc/06/53/74/953065374.db2.gz XODARDZQYNWLRS-VXGBXAGGSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)c1C ZINC001571207603 953065427 /nfs/dbraw/zinc/06/54/27/953065427.db2.gz XUHFHRVYLYHRGM-DGCLKSJQSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1ncc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)c1C ZINC001571207603 953065429 /nfs/dbraw/zinc/06/54/29/953065429.db2.gz XUHFHRVYLYHRGM-DGCLKSJQSA-N -1 1 382.432 0.897 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2cc[nH]n2)n1 ZINC001571207672 953065508 /nfs/dbraw/zinc/06/55/08/953065508.db2.gz ZOBNBHUWCZCVFL-CHWSQXEVSA-N -1 1 382.432 0.770 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2cc[nH]n2)n1 ZINC001571207672 953065509 /nfs/dbraw/zinc/06/55/09/953065509.db2.gz ZOBNBHUWCZCVFL-CHWSQXEVSA-N -1 1 382.432 0.770 20 0 GCADMM Cn1nccc1C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571209749 953066874 /nfs/dbraw/zinc/06/68/74/953066874.db2.gz COYSJNNTYPXIEV-LBPRGKRZSA-N -1 1 382.432 0.309 20 0 GCADMM Cn1ccc(CC(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571211415 953076580 /nfs/dbraw/zinc/07/65/80/953076580.db2.gz AIHFZDJINJSPCI-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cn1ccc(CC(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571211415 953076582 /nfs/dbraw/zinc/07/65/82/953076582.db2.gz AIHFZDJINJSPCI-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211475 953077192 /nfs/dbraw/zinc/07/71/92/953077192.db2.gz BKLJESSMLJUSDS-GFCCVEGCSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211475 953077198 /nfs/dbraw/zinc/07/71/98/953077198.db2.gz BKLJESSMLJUSDS-GFCCVEGCSA-N -1 1 382.432 0.663 20 0 GCADMM Cn1cncc1CC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571211482 953077957 /nfs/dbraw/zinc/07/79/57/953077957.db2.gz BPJDDSPOBHGPDR-NWDGAFQWSA-N -1 1 382.432 0.330 20 0 GCADMM Cn1cncc1CC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571211482 953077960 /nfs/dbraw/zinc/07/79/60/953077960.db2.gz BPJDDSPOBHGPDR-NWDGAFQWSA-N -1 1 382.432 0.330 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H](C)C2)n(C)n1 ZINC001571211668 953079417 /nfs/dbraw/zinc/07/94/17/953079417.db2.gz FDWVSSJDTJGUCH-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H](C)C2)n(C)n1 ZINC001571211668 953079422 /nfs/dbraw/zinc/07/94/22/953079422.db2.gz FDWVSSJDTJGUCH-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211692 953079767 /nfs/dbraw/zinc/07/97/67/953079767.db2.gz FSMBUVIVUUDQMV-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nn(C)cc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211692 953079770 /nfs/dbraw/zinc/07/97/70/953079770.db2.gz FSMBUVIVUUDQMV-RYUDHWBXSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1C ZINC001571211839 953081803 /nfs/dbraw/zinc/08/18/03/953081803.db2.gz HBGJUUPCRBAGSW-ZYHUDNBSSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)n1C ZINC001571211943 953083050 /nfs/dbraw/zinc/08/30/50/953083050.db2.gz IWGKFZOEJXMWJY-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)n1C ZINC001571211943 953083055 /nfs/dbraw/zinc/08/30/55/953083055.db2.gz IWGKFZOEJXMWJY-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ccn([C@H](C)CC(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571211883 953083153 /nfs/dbraw/zinc/08/31/53/953083153.db2.gz IFKHMHJHOODBDE-CYBMUJFWSA-N -1 1 382.432 0.462 20 0 GCADMM Cc1ccn([C@H](C)CC(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571211883 953083159 /nfs/dbraw/zinc/08/31/59/953083159.db2.gz IFKHMHJHOODBDE-CYBMUJFWSA-N -1 1 382.432 0.462 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571212148 953084908 /nfs/dbraw/zinc/08/49/08/953084908.db2.gz JYYOIXWNMWUVRT-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571212148 953084912 /nfs/dbraw/zinc/08/49/12/953084912.db2.gz JYYOIXWNMWUVRT-CYBMUJFWSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1C(C)C ZINC001571212151 953085052 /nfs/dbraw/zinc/08/50/52/953085052.db2.gz KAIFQQGKQLEPID-LBPRGKRZSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1C(C)C ZINC001571212151 953085054 /nfs/dbraw/zinc/08/50/54/953085054.db2.gz KAIFQQGKQLEPID-LBPRGKRZSA-N -1 1 382.432 0.751 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212318 953086808 /nfs/dbraw/zinc/08/68/08/953086808.db2.gz LLTDKRXVSOAMOE-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212318 953086811 /nfs/dbraw/zinc/08/68/11/953086811.db2.gz LLTDKRXVSOAMOE-ZYHUDNBSSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n(C)n1 ZINC001571212356 953086860 /nfs/dbraw/zinc/08/68/60/953086860.db2.gz MIIOATISCOFTCY-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n(C)n1 ZINC001571212356 953086865 /nfs/dbraw/zinc/08/68/65/953086865.db2.gz MIIOATISCOFTCY-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1nn(C)cc1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212334 953087115 /nfs/dbraw/zinc/08/71/15/953087115.db2.gz LTMKVFWZCQVWIG-NWDGAFQWSA-N -1 1 382.432 0.131 20 0 GCADMM Cc1nn(C)cc1CCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571212349 953087158 /nfs/dbraw/zinc/08/71/58/953087158.db2.gz MDHFXDUAQNPYQW-CYBMUJFWSA-N -1 1 382.432 0.344 20 0 GCADMM Cc1nn(C)cc1CCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571212349 953087163 /nfs/dbraw/zinc/08/71/63/953087163.db2.gz MDHFXDUAQNPYQW-CYBMUJFWSA-N -1 1 382.432 0.344 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571212405 953088294 /nfs/dbraw/zinc/08/82/94/953088294.db2.gz NWZATGNZVPVBII-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1cc(C)n(CCC(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571212405 953088297 /nfs/dbraw/zinc/08/82/97/953088297.db2.gz NWZATGNZVPVBII-ZDUSSCGKSA-N -1 1 382.432 0.573 20 0 GCADMM Cc1ccnn1CC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571212740 953090237 /nfs/dbraw/zinc/09/02/37/953090237.db2.gz OTZPIIQTEFDUKV-CHWSQXEVSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1ccnn1CC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571212740 953090238 /nfs/dbraw/zinc/09/02/38/953090238.db2.gz OTZPIIQTEFDUKV-CHWSQXEVSA-N -1 1 382.432 0.559 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571212824 953090260 /nfs/dbraw/zinc/09/02/60/953090260.db2.gz PKZHZBWKJQTJPX-JQWIXIFHSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571212824 953090262 /nfs/dbraw/zinc/09/02/62/953090262.db2.gz PKZHZBWKJQTJPX-JQWIXIFHSA-N -1 1 382.432 0.519 20 0 GCADMM Cc1cnn(CCC(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571212808 953090621 /nfs/dbraw/zinc/09/06/21/953090621.db2.gz PIQYKBSQLHUBKX-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cnn(CCC(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571212808 953090617 /nfs/dbraw/zinc/09/06/17/953090617.db2.gz PIQYKBSQLHUBKX-ZDUSSCGKSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571212791 953090636 /nfs/dbraw/zinc/09/06/36/953090636.db2.gz PCSIPCPOOOSUTJ-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571212791 953090640 /nfs/dbraw/zinc/09/06/40/953090640.db2.gz PCSIPCPOOOSUTJ-GFCCVEGCSA-N -1 1 382.432 0.488 20 0 GCADMM Cc1cnn(CCC(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571212806 953090866 /nfs/dbraw/zinc/09/08/66/953090866.db2.gz PIQYKBSQLHUBKX-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cnn(CCC(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571212806 953090872 /nfs/dbraw/zinc/09/08/72/953090872.db2.gz PIQYKBSQLHUBKX-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571213099 953092433 /nfs/dbraw/zinc/09/24/33/953092433.db2.gz QSYLHWDOHHRYNC-NEPJUHHUSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571213099 953092437 /nfs/dbraw/zinc/09/24/37/953092437.db2.gz QSYLHWDOHHRYNC-NEPJUHHUSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571213454 953095113 /nfs/dbraw/zinc/09/51/13/953095113.db2.gz UCZBRLGJIJIHQV-LBPRGKRZSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1cnn(C)c1C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571213454 953095118 /nfs/dbraw/zinc/09/51/18/953095118.db2.gz UCZBRLGJIJIHQV-LBPRGKRZSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1ccnn1CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213462 953095688 /nfs/dbraw/zinc/09/56/88/953095688.db2.gz UIPJHNRIDDKQQM-QWHCGFSZSA-N -1 1 382.432 0.701 20 0 GCADMM Cc1ccnn1CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213462 953095693 /nfs/dbraw/zinc/09/56/93/953095693.db2.gz UIPJHNRIDDKQQM-QWHCGFSZSA-N -1 1 382.432 0.701 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571213436 953095822 /nfs/dbraw/zinc/09/58/22/953095822.db2.gz SWBZRIIIPZKHKN-ZYHUDNBSSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1ncn(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571213436 953095829 /nfs/dbraw/zinc/09/58/29/953095829.db2.gz SWBZRIIIPZKHKN-ZYHUDNBSSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571213864 953098183 /nfs/dbraw/zinc/09/81/83/953098183.db2.gz XXKSZJTVGOWGHW-GXFFZTMASA-N -1 1 382.432 0.343 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571213864 953098187 /nfs/dbraw/zinc/09/81/87/953098187.db2.gz XXKSZJTVGOWGHW-GXFFZTMASA-N -1 1 382.432 0.343 20 0 GCADMM Cn1cncc1CCC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571213854 953098265 /nfs/dbraw/zinc/09/82/65/953098265.db2.gz XWAWTACQVGRLNN-LBPRGKRZSA-N -1 1 382.432 0.283 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571213875 953098309 /nfs/dbraw/zinc/09/83/09/953098309.db2.gz YBVGEJLWJBHNIF-LLVKDONJSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571213875 953098312 /nfs/dbraw/zinc/09/83/12/953098312.db2.gz YBVGEJLWJBHNIF-LLVKDONJSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1ccn([C@@H](C)CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571213873 953098615 /nfs/dbraw/zinc/09/86/15/953098615.db2.gz YAFOUBNBSRJXJC-STQMWFEESA-N -1 1 382.432 0.248 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571214108 953099912 /nfs/dbraw/zinc/09/99/12/953099912.db2.gz YGEAYJFTESAKEU-TXEJJXNPSA-N -1 1 382.432 0.309 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571214108 953099917 /nfs/dbraw/zinc/09/99/17/953099917.db2.gz YGEAYJFTESAKEU-TXEJJXNPSA-N -1 1 382.432 0.309 20 0 GCADMM Cc1ncc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)n1C ZINC001571214163 953100617 /nfs/dbraw/zinc/10/06/17/953100617.db2.gz YSNDVDXFCYLACH-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1ncc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)n1C ZINC001571214163 953100620 /nfs/dbraw/zinc/10/06/20/953100620.db2.gz YSNDVDXFCYLACH-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571214236 953100716 /nfs/dbraw/zinc/10/07/16/953100716.db2.gz ZQCZBDQZDILSLM-LBPRGKRZSA-N -1 1 382.432 0.358 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571214236 953100718 /nfs/dbraw/zinc/10/07/18/953100718.db2.gz ZQCZBDQZDILSLM-LBPRGKRZSA-N -1 1 382.432 0.358 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001571217337 953107304 /nfs/dbraw/zinc/10/73/04/953107304.db2.gz IHLKKZOZTXRUBQ-QWRGUYRKSA-N -1 1 383.391 0.575 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H](O)c1ccncc1 ZINC001571217635 953110209 /nfs/dbraw/zinc/11/02/09/953110209.db2.gz GOLQEUDJOWTKHQ-UONOGXRCSA-N -1 1 383.368 0.052 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H](O)c1ccncc1 ZINC001571217635 953110210 /nfs/dbraw/zinc/11/02/10/953110210.db2.gz GOLQEUDJOWTKHQ-UONOGXRCSA-N -1 1 383.368 0.052 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001571217675 953110264 /nfs/dbraw/zinc/11/02/64/953110264.db2.gz HTKPEJCNYUZXMD-RISCZKNCSA-N -1 1 383.368 0.636 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571217862 953111017 /nfs/dbraw/zinc/11/10/17/953111017.db2.gz QZCMCIPQFHFFLI-GWCFXTLKSA-N -1 1 383.391 0.978 20 0 GCADMM CC1(C)CN(C(=O)c2cncc(F)c2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571217946 953112044 /nfs/dbraw/zinc/11/20/44/953112044.db2.gz SSDGLEBNJBYLTJ-GFCCVEGCSA-N -1 1 383.391 0.575 20 0 GCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571218542 953116279 /nfs/dbraw/zinc/11/62/79/953116279.db2.gz AXFCZAIIUIDGPD-CDMKHQONSA-N -1 1 383.405 0.396 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1noc2c1COCC2 ZINC001571218660 953118381 /nfs/dbraw/zinc/11/83/81/953118381.db2.gz XVUFHNLQTXVXDU-KYZUINATSA-N -1 1 383.372 0.090 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1noc2c1COCC2 ZINC001571218660 953118382 /nfs/dbraw/zinc/11/83/82/953118382.db2.gz XVUFHNLQTXVXDU-KYZUINATSA-N -1 1 383.372 0.090 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2ncccc2F)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571218735 953118965 /nfs/dbraw/zinc/11/89/65/953118965.db2.gz ZZMCBUOXZVIEBN-GHMZBOCLSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1CC[C@@H](NC(=O)c2ncccc2F)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571218735 953118970 /nfs/dbraw/zinc/11/89/70/953118970.db2.gz ZZMCBUOXZVIEBN-GHMZBOCLSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2ncccc2F)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571218737 953119130 /nfs/dbraw/zinc/11/91/30/953119130.db2.gz ZZMCBUOXZVIEBN-QWRGUYRKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CC[C@H](NC(=O)c2ncccc2F)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571218737 953119133 /nfs/dbraw/zinc/11/91/33/953119133.db2.gz ZZMCBUOXZVIEBN-QWRGUYRKSA-N -1 1 383.391 0.978 20 0 GCADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ncccc1F ZINC001571219197 953123411 /nfs/dbraw/zinc/12/34/11/953123411.db2.gz LVSKYENKESJGAK-CMPLNLGQSA-N -1 1 383.391 0.623 20 0 GCADMM C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(C)(C)c1ccccc1 ZINC001571219416 953126235 /nfs/dbraw/zinc/12/62/35/953126235.db2.gz OOMFAPSBWNTPPP-LLVKDONJSA-N -1 1 383.412 0.612 20 0 GCADMM O=C(NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccncc1F ZINC001571219781 953127551 /nfs/dbraw/zinc/12/75/51/953127551.db2.gz SMOJNIRPAJKFSZ-UHFFFAOYSA-N -1 1 383.391 0.766 20 0 GCADMM O=C(NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cn1 ZINC001571219919 953127629 /nfs/dbraw/zinc/12/76/29/953127629.db2.gz SXOIEGCGIGYYRI-GFCCVEGCSA-N -1 1 383.391 0.980 20 0 GCADMM CCc1ccc(C(C)(C)NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571220109 953128843 /nfs/dbraw/zinc/12/88/43/953128843.db2.gz XBYIVRQYZVLBFX-UHFFFAOYSA-N -1 1 383.412 0.743 20 0 GCADMM CCc1noc(C)c1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571222234 953132768 /nfs/dbraw/zinc/13/27/68/953132768.db2.gz AZTGFXOQWDBKMH-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1noc(C)c1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571222234 953132770 /nfs/dbraw/zinc/13/27/70/953132770.db2.gz AZTGFXOQWDBKMH-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCCc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571222371 953134046 /nfs/dbraw/zinc/13/40/46/953134046.db2.gz GXJPPJSKDUOTIK-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCCc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571222371 953134050 /nfs/dbraw/zinc/13/40/50/953134050.db2.gz GXJPPJSKDUOTIK-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3nc(C)oc3C)C2)n1 ZINC001571222402 953134190 /nfs/dbraw/zinc/13/41/90/953134190.db2.gz HVVPJBRCZJBOQR-LLVKDONJSA-N -1 1 383.416 0.833 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3nc(C)oc3C)C2)n1 ZINC001571222402 953134192 /nfs/dbraw/zinc/13/41/92/953134192.db2.gz HVVPJBRCZJBOQR-LLVKDONJSA-N -1 1 383.416 0.833 20 0 GCADMM CCc1ocnc1C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001571222676 953137467 /nfs/dbraw/zinc/13/74/67/953137467.db2.gz IOMIVLVZJIZEHO-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCc1ocnc1C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001571222676 953137472 /nfs/dbraw/zinc/13/74/72/953137472.db2.gz IOMIVLVZJIZEHO-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)c3nocc3C)C2)n1 ZINC001571222810 953138621 /nfs/dbraw/zinc/13/86/21/953138621.db2.gz LLXRDJVBGYVVRK-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)c3nocc3C)C2)n1 ZINC001571222810 953138624 /nfs/dbraw/zinc/13/86/24/953138624.db2.gz LLXRDJVBGYVVRK-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CC(C)c1oncc1C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571222806 953138803 /nfs/dbraw/zinc/13/88/03/953138803.db2.gz LKQGRZRVINNJSS-UHFFFAOYSA-N -1 1 383.416 0.907 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)c2ccn(C)c2)CCO1 ZINC001571222917 953140495 /nfs/dbraw/zinc/14/04/95/953140495.db2.gz NPICNUKCOPWVCX-FZMZJTMJSA-N -1 1 383.416 0.337 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)c2ccn(C)c2)CCO1 ZINC001571222917 953140497 /nfs/dbraw/zinc/14/04/97/953140497.db2.gz NPICNUKCOPWVCX-FZMZJTMJSA-N -1 1 383.416 0.337 20 0 GCADMM CCc1ocnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571223237 953142429 /nfs/dbraw/zinc/14/24/29/953142429.db2.gz QXTHCQUMLDDKBA-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCN(C(=O)c3ccon3)C2)n1 ZINC001571223390 953144239 /nfs/dbraw/zinc/14/42/39/953144239.db2.gz QPGBYVIZVVKELR-LLVKDONJSA-N -1 1 383.416 0.806 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCN(C(=O)c3ccon3)C2)n1 ZINC001571223390 953144242 /nfs/dbraw/zinc/14/42/42/953144242.db2.gz QPGBYVIZVVKELR-LLVKDONJSA-N -1 1 383.416 0.806 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)no1 ZINC001571223675 953145820 /nfs/dbraw/zinc/14/58/20/953145820.db2.gz SKKAGZWSRIGHDQ-KRWDZBQOSA-N -1 1 383.416 0.593 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571223844 953146936 /nfs/dbraw/zinc/14/69/36/953146936.db2.gz YIEIKEVLIAMTOU-CMPLNLGQSA-N -1 1 383.416 0.592 20 0 GCADMM CC[C@H]1CN(C(=O)c2coc(C)n2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571224005 953148275 /nfs/dbraw/zinc/14/82/75/953148275.db2.gz WXRUGSAHSUXHCT-NWDGAFQWSA-N -1 1 383.416 0.728 20 0 GCADMM CC[C@H]1CN(C(=O)c2coc(C)n2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571224007 953148585 /nfs/dbraw/zinc/14/85/85/953148585.db2.gz WXRUGSAHSUXHCT-RYUDHWBXSA-N -1 1 383.416 0.728 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H](C)C2)co1 ZINC001571224093 953148749 /nfs/dbraw/zinc/14/87/49/953148749.db2.gz XYIVBIGQIWHTQF-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H](C)C2)co1 ZINC001571224093 953148751 /nfs/dbraw/zinc/14/87/51/953148751.db2.gz XYIVBIGQIWHTQF-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)co1 ZINC001571224127 953149399 /nfs/dbraw/zinc/14/93/99/953149399.db2.gz YUCJTGHPLIFXOR-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)co1 ZINC001571224127 953149401 /nfs/dbraw/zinc/14/94/01/953149401.db2.gz YUCJTGHPLIFXOR-WDEREUQCSA-N -1 1 383.416 0.994 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)no1 ZINC001571224883 953151343 /nfs/dbraw/zinc/15/13/43/953151343.db2.gz FWAZYTGRBAAJTB-GFCCVEGCSA-N -1 1 383.416 0.671 20 0 GCADMM Cc1cc(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)no1 ZINC001571224883 953151344 /nfs/dbraw/zinc/15/13/44/953151344.db2.gz FWAZYTGRBAAJTB-GFCCVEGCSA-N -1 1 383.416 0.671 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)co1 ZINC001571224944 953152050 /nfs/dbraw/zinc/15/20/50/953152050.db2.gz HBFAJUSZEJDQDB-PWSUYJOCSA-N -1 1 383.416 0.585 20 0 GCADMM Cc1cc(CC(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)no1 ZINC001571224961 953152309 /nfs/dbraw/zinc/15/23/09/953152309.db2.gz HHYBUOLHQHRFSL-UHFFFAOYSA-N -1 1 383.416 0.457 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)no1 ZINC001571225903 953154572 /nfs/dbraw/zinc/15/45/72/953154572.db2.gz OCZYQMNCYOKBKG-ZWNOBZJWSA-N -1 1 383.416 0.728 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)no1 ZINC001571225900 953154716 /nfs/dbraw/zinc/15/47/16/953154716.db2.gz OCZYQMNCYOKBKG-GWCFXTLKSA-N -1 1 383.416 0.728 20 0 GCADMM Cc1ncc(CC(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)o1 ZINC001571226401 953155200 /nfs/dbraw/zinc/15/52/00/953155200.db2.gz PVLVZJCPLPWCAZ-ZDUSSCGKSA-N -1 1 383.416 0.527 20 0 GCADMM Cc1ncc(CC(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)o1 ZINC001571226401 953155204 /nfs/dbraw/zinc/15/52/04/953155204.db2.gz PVLVZJCPLPWCAZ-ZDUSSCGKSA-N -1 1 383.416 0.527 20 0 GCADMM Cc1ncc(CC(=O)N(C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571226451 953155976 /nfs/dbraw/zinc/15/59/76/953155976.db2.gz RAIOXUZUJVZYBP-UHFFFAOYSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1ncc(CC(=O)N(C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571226451 953155978 /nfs/dbraw/zinc/15/59/78/953155978.db2.gz RAIOXUZUJVZYBP-UHFFFAOYSA-N -1 1 383.416 0.623 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)Cc3ccon3)CC2)n1 ZINC001571226638 953156962 /nfs/dbraw/zinc/15/69/62/953156962.db2.gz UJEFQFMBNMQYQV-UHFFFAOYSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)Cc3ccon3)CC2)n1 ZINC001571226638 953156966 /nfs/dbraw/zinc/15/69/66/953156966.db2.gz UJEFQFMBNMQYQV-UHFFFAOYSA-N -1 1 383.416 0.846 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571226656 953157140 /nfs/dbraw/zinc/15/71/40/953157140.db2.gz UYVBYQNQYMVNAN-GFCCVEGCSA-N -1 1 383.416 0.257 20 0 GCADMM Cc1ccn(C)c1C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571226656 953157141 /nfs/dbraw/zinc/15/71/41/953157141.db2.gz UYVBYQNQYMVNAN-GFCCVEGCSA-N -1 1 383.416 0.257 20 0 GCADMM Cc1noc(C)c1CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571226963 953157585 /nfs/dbraw/zinc/15/75/85/953157585.db2.gz XXXLXBYCIVGYLM-UHFFFAOYSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1noc(C)c1CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571226963 953157588 /nfs/dbraw/zinc/15/75/88/953157588.db2.gz XXXLXBYCIVGYLM-UHFFFAOYSA-N -1 1 383.416 0.589 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)c(C)[nH]1 ZINC001571226958 953157708 /nfs/dbraw/zinc/15/77/08/953157708.db2.gz XUOGFQCDVQYFKW-LBPRGKRZSA-N -1 1 383.416 0.237 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)c(C)[nH]1 ZINC001571226958 953157711 /nfs/dbraw/zinc/15/77/11/953157711.db2.gz XUOGFQCDVQYFKW-LBPRGKRZSA-N -1 1 383.416 0.237 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)no1 ZINC001571227131 953158194 /nfs/dbraw/zinc/15/81/94/953158194.db2.gz ZKQFAQFFSSMJCR-JQWIXIFHSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)no1 ZINC001571227131 953158196 /nfs/dbraw/zinc/15/81/96/953158196.db2.gz ZKQFAQFFSSMJCR-JQWIXIFHSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571227110 953158335 /nfs/dbraw/zinc/15/83/35/953158335.db2.gz YYDTWKRPPDUQBP-GFCCVEGCSA-N -1 1 383.416 0.481 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571227110 953158337 /nfs/dbraw/zinc/15/83/37/953158337.db2.gz YYDTWKRPPDUQBP-GFCCVEGCSA-N -1 1 383.416 0.481 20 0 GCADMM Cc1conc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571227152 953158361 /nfs/dbraw/zinc/15/83/61/953158361.db2.gz ZUERFYJWJDUEME-LLVKDONJSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1conc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571227153 953158559 /nfs/dbraw/zinc/15/85/59/953158559.db2.gz ZUERFYJWJDUEME-NSHDSACASA-N -1 1 383.416 0.988 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)c1cnn(C)n1 ZINC001571227766 953158744 /nfs/dbraw/zinc/15/87/44/953158744.db2.gz BOSKHNZREPMGEU-ZWNOBZJWSA-N -1 1 383.420 0.281 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)c1cnn(C)n1 ZINC001571227766 953158746 /nfs/dbraw/zinc/15/87/46/953158746.db2.gz BOSKHNZREPMGEU-ZWNOBZJWSA-N -1 1 383.420 0.281 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227711 953159036 /nfs/dbraw/zinc/15/90/36/953159036.db2.gz AKWGWLAVCCBFNK-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227711 953159038 /nfs/dbraw/zinc/15/90/38/953159038.db2.gz AKWGWLAVCCBFNK-GHMZBOCLSA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227798 953159629 /nfs/dbraw/zinc/15/96/29/953159629.db2.gz CHYSUMRGWZWDTJ-MNOVXSKESA-N -1 1 383.420 0.057 20 0 GCADMM Cn1cccc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001571227845 953160149 /nfs/dbraw/zinc/16/01/49/953160149.db2.gz DBSWQBFPVPFHAW-GFCCVEGCSA-N -1 1 383.416 0.021 20 0 GCADMM Cn1cccc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001571227845 953160151 /nfs/dbraw/zinc/16/01/51/953160151.db2.gz DBSWQBFPVPFHAW-GFCCVEGCSA-N -1 1 383.416 0.021 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571227777 953160205 /nfs/dbraw/zinc/16/02/05/953160205.db2.gz BVIVOMZMDKZKAN-JQWIXIFHSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571227777 953160209 /nfs/dbraw/zinc/16/02/09/953160209.db2.gz BVIVOMZMDKZKAN-JQWIXIFHSA-N -1 1 383.416 0.988 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227869 953160989 /nfs/dbraw/zinc/16/09/89/953160989.db2.gz DROIQWZHICECFQ-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM CC[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227869 953160991 /nfs/dbraw/zinc/16/09/91/953160991.db2.gz DROIQWZHICECFQ-MNOVXSKESA-N -1 1 383.420 0.138 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001571228094 953161430 /nfs/dbraw/zinc/16/14/30/953161430.db2.gz IEHSAJKKPHJZIM-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001571228094 953161432 /nfs/dbraw/zinc/16/14/32/953161432.db2.gz IEHSAJKKPHJZIM-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM CCn1nncc1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571228085 953161572 /nfs/dbraw/zinc/16/15/72/953161572.db2.gz HTCRRVCCIPMOHA-NSHDSACASA-N -1 1 383.420 0.293 20 0 GCADMM CCn1nncc1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571228085 953161575 /nfs/dbraw/zinc/16/15/75/953161575.db2.gz HTCRRVCCIPMOHA-NSHDSACASA-N -1 1 383.420 0.293 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)nn1 ZINC001571228183 953162171 /nfs/dbraw/zinc/16/21/71/953162171.db2.gz KHUTVRYYOXPRPX-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)nn1 ZINC001571228183 953162173 /nfs/dbraw/zinc/16/21/73/953162173.db2.gz KHUTVRYYOXPRPX-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM CCn1nncc1C(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571228433 953164422 /nfs/dbraw/zinc/16/44/22/953164422.db2.gz PCQBKNKDSCCPDF-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM CCn1nncc1C(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571228433 953164424 /nfs/dbraw/zinc/16/44/24/953164424.db2.gz PCQBKNKDSCCPDF-MNOVXSKESA-N -1 1 383.420 0.055 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571228576 953165469 /nfs/dbraw/zinc/16/54/69/953165469.db2.gz SJRBCKBQFLEBDN-STQMWFEESA-N -1 1 383.416 0.974 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571228576 953165471 /nfs/dbraw/zinc/16/54/71/953165471.db2.gz SJRBCKBQFLEBDN-STQMWFEESA-N -1 1 383.416 0.974 20 0 GCADMM Cn1ncc(C(=O)N2CCCCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571229389 953169067 /nfs/dbraw/zinc/16/90/67/953169067.db2.gz DJEBUENVTZCNDW-LLVKDONJSA-N -1 1 383.420 0.282 20 0 GCADMM Cn1ncc(C(=O)N2CCCCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571229389 953169070 /nfs/dbraw/zinc/16/90/70/953169070.db2.gz DJEBUENVTZCNDW-LLVKDONJSA-N -1 1 383.420 0.282 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571229310 953169271 /nfs/dbraw/zinc/16/92/71/953169271.db2.gz CAXNLDXPOXEEIZ-LLVKDONJSA-N -1 1 383.420 0.118 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571229310 953169273 /nfs/dbraw/zinc/16/92/73/953169273.db2.gz CAXNLDXPOXEEIZ-LLVKDONJSA-N -1 1 383.420 0.118 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@H]2NC(=O)c2cnnn2C)n1 ZINC001571230173 953174237 /nfs/dbraw/zinc/17/42/37/953174237.db2.gz SYWUVJFWMBJSNE-WDEREUQCSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@H]2NC(=O)c2cnnn2C)n1 ZINC001571230173 953174241 /nfs/dbraw/zinc/17/42/41/953174241.db2.gz SYWUVJFWMBJSNE-WDEREUQCSA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@H](NC(=O)c3cn(C)nn3)C2)n1 ZINC001571230189 953174510 /nfs/dbraw/zinc/17/45/10/953174510.db2.gz TYEVBNXMLYTLLZ-QWRGUYRKSA-N -1 1 383.420 0.247 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@H](NC(=O)c3cn(C)nn3)C2)n1 ZINC001571230189 953174512 /nfs/dbraw/zinc/17/45/12/953174512.db2.gz TYEVBNXMLYTLLZ-QWRGUYRKSA-N -1 1 383.420 0.247 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@@H]2NC(=O)c2cnnn2C)n1 ZINC001571230171 953174571 /nfs/dbraw/zinc/17/45/71/953174571.db2.gz SYWUVJFWMBJSNE-MNOVXSKESA-N -1 1 383.420 0.104 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@@H]2NC(=O)c2cnnn2C)n1 ZINC001571230171 953174572 /nfs/dbraw/zinc/17/45/72/953174572.db2.gz SYWUVJFWMBJSNE-MNOVXSKESA-N -1 1 383.420 0.104 20 0 GCADMM Cc1ncc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)s1 ZINC001571230481 953177317 /nfs/dbraw/zinc/17/73/17/953177317.db2.gz FCCHTCDDIXYKKT-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM Cc1ncc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)s1 ZINC001571230481 953177321 /nfs/dbraw/zinc/17/73/21/953177321.db2.gz FCCHTCDDIXYKKT-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM Cc1nn[nH]c1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571230633 953178971 /nfs/dbraw/zinc/17/89/71/953178971.db2.gz ZADSWTDIYFHQAT-XYPYZODXSA-N -1 1 383.420 0.484 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)c4ccns4)C[C@@H]3C2)n1 ZINC001571230906 953181084 /nfs/dbraw/zinc/18/10/84/953181084.db2.gz NDMGGIUYLOJAAA-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)c4ccns4)C[C@@H]3C2)n1 ZINC001571230906 953181087 /nfs/dbraw/zinc/18/10/87/953181087.db2.gz NDMGGIUYLOJAAA-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM O=C(c1cscn1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571230857 953181286 /nfs/dbraw/zinc/18/12/86/953181286.db2.gz LYJGHZKNZQJMJV-QWHCGFSZSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1cscn1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571230857 953181289 /nfs/dbraw/zinc/18/12/89/953181289.db2.gz LYJGHZKNZQJMJV-QWHCGFSZSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1ccsn1)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571230876 953181408 /nfs/dbraw/zinc/18/14/08/953181408.db2.gz MHQWGJIGKDIXMP-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(c1ccsn1)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571230876 953181409 /nfs/dbraw/zinc/18/14/09/953181409.db2.gz MHQWGJIGKDIXMP-MNOVXSKESA-N -1 1 383.441 0.712 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1nccs1 ZINC001571231007 953182000 /nfs/dbraw/zinc/18/20/00/953182000.db2.gz PVCMUADRAIHFCC-JTQLQIEISA-N -1 1 383.441 0.902 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)c4ccsn4)C[C@@H]3C2)n1 ZINC001571231067 953182478 /nfs/dbraw/zinc/18/24/78/953182478.db2.gz RKRZGBVUOCGDBH-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)c4ccsn4)C[C@@H]3C2)n1 ZINC001571231067 953182481 /nfs/dbraw/zinc/18/24/81/953182481.db2.gz RKRZGBVUOCGDBH-PHIMTYICSA-N -1 1 383.441 0.630 20 0 GCADMM O=C(Cc1cscn1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571231215 953184099 /nfs/dbraw/zinc/18/40/99/953184099.db2.gz VLZIHUVXECXDBI-PHIMTYICSA-N -1 1 383.441 0.251 20 0 GCADMM O=C(Cc1cscn1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571231215 953184101 /nfs/dbraw/zinc/18/41/01/953184101.db2.gz VLZIHUVXECXDBI-PHIMTYICSA-N -1 1 383.441 0.251 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)c1ccns1 ZINC001571231207 953184226 /nfs/dbraw/zinc/18/42/26/953184226.db2.gz VISCYNZATCOSSZ-AXFHLTTASA-N -1 1 383.441 0.901 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)c1ccns1 ZINC001571231207 953184229 /nfs/dbraw/zinc/18/42/29/953184229.db2.gz VISCYNZATCOSSZ-AXFHLTTASA-N -1 1 383.441 0.901 20 0 GCADMM O=C(c1ccns1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571231219 953184232 /nfs/dbraw/zinc/18/42/32/953184232.db2.gz VOZJFAPKBTUYDC-NWDGAFQWSA-N -1 1 383.441 0.997 20 0 GCADMM O=C(c1ccns1)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571231219 953184234 /nfs/dbraw/zinc/18/42/34/953184234.db2.gz VOZJFAPKBTUYDC-NWDGAFQWSA-N -1 1 383.441 0.997 20 0 GCADMM C[C@]12CN(C(=O)c3cscn3)C[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571231493 953184868 /nfs/dbraw/zinc/18/48/68/953184868.db2.gz YHHQQQMFNBYYFN-HWPZZCPQSA-N -1 1 383.441 0.712 20 0 GCADMM C[C@]12CN(C(=O)c3cscn3)C[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571231493 953184869 /nfs/dbraw/zinc/18/48/69/953184869.db2.gz YHHQQQMFNBYYFN-HWPZZCPQSA-N -1 1 383.441 0.712 20 0 GCADMM COC(=O)[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)c1ccc(O)cc1 ZINC001571234601 953203587 /nfs/dbraw/zinc/20/35/87/953203587.db2.gz CXCKCIWOUHQTCF-CYBMUJFWSA-N -1 1 384.352 0.625 20 0 GCADMM COc1ccc(F)cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571234745 953205497 /nfs/dbraw/zinc/20/54/97/953205497.db2.gz HTWOVKOXUXKOQY-LLVKDONJSA-N -1 1 384.375 0.813 20 0 GCADMM COc1ccc(F)cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571234745 953205500 /nfs/dbraw/zinc/20/55/00/953205500.db2.gz HTWOVKOXUXKOQY-LLVKDONJSA-N -1 1 384.375 0.813 20 0 GCADMM COc1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1F ZINC001571234894 953206845 /nfs/dbraw/zinc/20/68/45/953206845.db2.gz LXLDTSAOOYRHLO-SNVBAGLBSA-N -1 1 384.375 0.553 20 0 GCADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O)C1CCC1 ZINC001571235135 953208994 /nfs/dbraw/zinc/20/89/94/953208994.db2.gz UQIFRNYQXDPUKZ-DTWKUNHWSA-N -1 1 383.865 0.833 20 0 GCADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O)C1CCC1 ZINC001571235135 953208998 /nfs/dbraw/zinc/20/89/98/953208998.db2.gz UQIFRNYQXDPUKZ-DTWKUNHWSA-N -1 1 383.865 0.833 20 0 GCADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccccc2-n2cnc(-c3nn[n-]n3)n2)O1 ZINC001571235180 953209615 /nfs/dbraw/zinc/20/96/15/953209615.db2.gz WCCSOPJVBFSLEE-NEPJUHHUSA-N -1 1 384.356 0.107 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001571235596 953213396 /nfs/dbraw/zinc/21/33/96/953213396.db2.gz KDJUFQAASRYWBM-NEPJUHHUSA-N -1 1 384.400 0.353 20 0 GCADMM O=C(N[C@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2F)C1)c1ncccc1[O-] ZINC001571235600 953213483 /nfs/dbraw/zinc/21/34/83/953213483.db2.gz KNHNVBJZRGHOSR-NSHDSACASA-N -1 1 384.375 0.900 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571235827 953215174 /nfs/dbraw/zinc/21/51/74/953215174.db2.gz PVCHHOYIIHMQNQ-NWDGAFQWSA-N -1 1 384.379 0.402 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571235827 953215175 /nfs/dbraw/zinc/21/51/75/953215175.db2.gz PVCHHOYIIHMQNQ-NWDGAFQWSA-N -1 1 384.379 0.402 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571235821 953215254 /nfs/dbraw/zinc/21/52/54/953215254.db2.gz PVCHHOYIIHMQNQ-NEPJUHHUSA-N -1 1 384.379 0.402 20 0 GCADMM O=C(c1n[nH]cc1F)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571235821 953215258 /nfs/dbraw/zinc/21/52/58/953215258.db2.gz PVCHHOYIIHMQNQ-NEPJUHHUSA-N -1 1 384.379 0.402 20 0 GCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001571236174 953216436 /nfs/dbraw/zinc/21/64/36/953216436.db2.gz TZIAZKNXZSQKDC-LLVKDONJSA-N -1 1 384.375 0.759 20 0 GCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001571236174 953216439 /nfs/dbraw/zinc/21/64/39/953216439.db2.gz TZIAZKNXZSQKDC-LLVKDONJSA-N -1 1 384.375 0.759 20 0 GCADMM Cc1cocc1C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001571236651 953217854 /nfs/dbraw/zinc/21/78/54/953217854.db2.gz ALQJSRGVMQDCMG-LBPRGKRZSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1cocc1C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001571236651 953217857 /nfs/dbraw/zinc/21/78/57/953217857.db2.gz ALQJSRGVMQDCMG-LBPRGKRZSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1ccoc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571237135 953219537 /nfs/dbraw/zinc/21/95/37/953219537.db2.gz FOONJKHYJNMLRV-NWDGAFQWSA-N -1 1 384.400 0.322 20 0 GCADMM CCOc1cc(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)[nH]n1 ZINC001571237015 953219784 /nfs/dbraw/zinc/21/97/84/953219784.db2.gz FHWJVBDBBJSARE-UHFFFAOYSA-N -1 1 384.404 0.177 20 0 GCADMM CCOc1cc(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)[nH]n1 ZINC001571237015 953219786 /nfs/dbraw/zinc/21/97/86/953219786.db2.gz FHWJVBDBBJSARE-UHFFFAOYSA-N -1 1 384.404 0.177 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)c3nonc3C)C2)n1 ZINC001571237155 953220341 /nfs/dbraw/zinc/22/03/41/953220341.db2.gz FXJJOLRPBYRDKI-JTQLQIEISA-N -1 1 384.404 0.261 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)c3nonc3C)C2)n1 ZINC001571237155 953220343 /nfs/dbraw/zinc/22/03/43/953220343.db2.gz FXJJOLRPBYRDKI-JTQLQIEISA-N -1 1 384.404 0.261 20 0 GCADMM CC[C@H]1CN(C(=O)c2nonc2C)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571237153 953220614 /nfs/dbraw/zinc/22/06/14/953220614.db2.gz FWQJZDDDJXHAJK-QWRGUYRKSA-N -1 1 384.404 0.701 20 0 GCADMM CC[C@H]1CN(C(=O)c2nonc2C)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571237153 953220615 /nfs/dbraw/zinc/22/06/15/953220615.db2.gz FWQJZDDDJXHAJK-QWRGUYRKSA-N -1 1 384.404 0.701 20 0 GCADMM O=C(CCc1ccco1)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571237473 953221161 /nfs/dbraw/zinc/22/11/61/953221161.db2.gz IJGOREBSDIHWBB-ZDUSSCGKSA-N -1 1 384.400 0.522 20 0 GCADMM O=C(CCc1ccco1)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571237473 953221163 /nfs/dbraw/zinc/22/11/63/953221163.db2.gz IJGOREBSDIHWBB-ZDUSSCGKSA-N -1 1 384.400 0.522 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237911 953223010 /nfs/dbraw/zinc/22/30/10/953223010.db2.gz NUCOAERLNZMFGE-DGCLKSJQSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237911 953223011 /nfs/dbraw/zinc/22/30/11/953223011.db2.gz NUCOAERLNZMFGE-DGCLKSJQSA-N -1 1 384.400 0.900 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCCO2)co1 ZINC001571237702 953223080 /nfs/dbraw/zinc/22/30/80/953223080.db2.gz MBWPFGOCYVQVTB-ZDUSSCGKSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1cc(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCCO2)co1 ZINC001571237702 953223082 /nfs/dbraw/zinc/22/30/82/953223082.db2.gz MBWPFGOCYVQVTB-ZDUSSCGKSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCCO2)co1 ZINC001571237701 953223166 /nfs/dbraw/zinc/22/31/66/953223166.db2.gz MBWPFGOCYVQVTB-CYBMUJFWSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1cc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCCO2)co1 ZINC001571237701 953223171 /nfs/dbraw/zinc/22/31/71/953223171.db2.gz MBWPFGOCYVQVTB-CYBMUJFWSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1cc(C(=O)N2CCC(O)(CNc3cnc(-c4nnn[n-]4)cn3)CC2)co1 ZINC001571238127 953225736 /nfs/dbraw/zinc/22/57/36/953225736.db2.gz UZVPTXNEUYRADR-UHFFFAOYSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1cc(C(=O)N2CCC(O)(CNc3cnc(-c4nn[n-]n4)cn3)CC2)co1 ZINC001571238127 953225739 /nfs/dbraw/zinc/22/57/39/953225739.db2.gz UZVPTXNEUYRADR-UHFFFAOYSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)o1 ZINC001571238209 953226669 /nfs/dbraw/zinc/22/66/69/953226669.db2.gz WQZMTPMHLJGZSX-GFCCVEGCSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)o1 ZINC001571238209 953226670 /nfs/dbraw/zinc/22/66/70/953226670.db2.gz WQZMTPMHLJGZSX-GFCCVEGCSA-N -1 1 384.400 0.502 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]c1=O ZINC001571238377 953228044 /nfs/dbraw/zinc/22/80/44/953228044.db2.gz AVYJBUBIHDEYDJ-VHSXEESVSA-N -1 1 384.404 0.106 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2[C@H](C)CCCN2C(=O)c2cnon2)n1 ZINC001571238347 953228152 /nfs/dbraw/zinc/22/81/52/953228152.db2.gz AACKERKTPKTTPS-RNCFNFMXSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2[C@H](C)CCCN2C(=O)c2cnon2)n1 ZINC001571238347 953228155 /nfs/dbraw/zinc/22/81/55/953228155.db2.gz AACKERKTPKTTPS-RNCFNFMXSA-N -1 1 384.404 0.701 20 0 GCADMM Cn1c(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c[nH]c1=O ZINC001571238399 953229042 /nfs/dbraw/zinc/22/90/42/953229042.db2.gz BJBPDRCRMMBJIB-SNVBAGLBSA-N -1 1 384.404 0.060 20 0 GCADMM Cn1c(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c[nH]c1=O ZINC001571238399 953229046 /nfs/dbraw/zinc/22/90/46/953229046.db2.gz BJBPDRCRMMBJIB-SNVBAGLBSA-N -1 1 384.404 0.060 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571238430 953229078 /nfs/dbraw/zinc/22/90/78/953229078.db2.gz CFCGSSKYUCUBCN-SNVBAGLBSA-N -1 1 384.404 0.358 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571238430 953229080 /nfs/dbraw/zinc/22/90/80/953229080.db2.gz CFCGSSKYUCUBCN-SNVBAGLBSA-N -1 1 384.404 0.358 20 0 GCADMM COc1c(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)cnn1C ZINC001571238465 953229265 /nfs/dbraw/zinc/22/92/65/953229265.db2.gz DKKRBNPQVXZFPP-JTQLQIEISA-N -1 1 384.404 0.116 20 0 GCADMM COc1c(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)cnn1C ZINC001571238465 953229269 /nfs/dbraw/zinc/22/92/69/953229269.db2.gz DKKRBNPQVXZFPP-JTQLQIEISA-N -1 1 384.404 0.116 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571238611 953231093 /nfs/dbraw/zinc/23/10/93/953231093.db2.gz IGPZOGSGLVUPSF-GXSJLCMTSA-N -1 1 384.404 0.097 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571238611 953231096 /nfs/dbraw/zinc/23/10/96/953231096.db2.gz IGPZOGSGLVUPSF-GXSJLCMTSA-N -1 1 384.404 0.097 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571238742 953232118 /nfs/dbraw/zinc/23/21/18/953232118.db2.gz MCVCJSONNBLPNT-JTQLQIEISA-N -1 1 384.404 0.101 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571238742 953232126 /nfs/dbraw/zinc/23/21/26/953232126.db2.gz MCVCJSONNBLPNT-JTQLQIEISA-N -1 1 384.404 0.101 20 0 GCADMM COc1c(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571238724 953232444 /nfs/dbraw/zinc/23/24/44/953232444.db2.gz LGIUDRUZACURJH-UHFFFAOYSA-N -1 1 384.404 0.019 20 0 GCADMM COc1c(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571238724 953232447 /nfs/dbraw/zinc/23/24/47/953232447.db2.gz LGIUDRUZACURJH-UHFFFAOYSA-N -1 1 384.404 0.019 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571239286 953238190 /nfs/dbraw/zinc/23/81/90/953238190.db2.gz SKBNZAUASPJHES-GFCCVEGCSA-N -1 1 384.404 0.240 20 0 GCADMM Cc1nonc1CC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571239286 953238194 /nfs/dbraw/zinc/23/81/94/953238194.db2.gz SKBNZAUASPJHES-GFCCVEGCSA-N -1 1 384.404 0.240 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571239468 953239221 /nfs/dbraw/zinc/23/92/21/953239221.db2.gz UVCRTEJFRYUHIZ-JTQLQIEISA-N -1 1 384.404 0.135 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571239468 953239223 /nfs/dbraw/zinc/23/92/23/953239223.db2.gz UVCRTEJFRYUHIZ-JTQLQIEISA-N -1 1 384.404 0.135 20 0 GCADMM Cc1nnc(CC(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571239825 953242612 /nfs/dbraw/zinc/24/26/12/953242612.db2.gz YZFLNYWLGYQYFT-MNOVXSKESA-N -1 1 384.404 0.288 20 0 GCADMM Cc1nnc(CC(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571239825 953242614 /nfs/dbraw/zinc/24/26/14/953242614.db2.gz YZFLNYWLGYQYFT-MNOVXSKESA-N -1 1 384.404 0.288 20 0 GCADMM O=C(c1cnsn1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571241731 953248792 /nfs/dbraw/zinc/24/87/92/953248792.db2.gz JYVRANPQXQOHQB-VXGBXAGGSA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnsn1)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571241731 953248795 /nfs/dbraw/zinc/24/87/95/953248795.db2.gz JYVRANPQXQOHQB-VXGBXAGGSA-N -1 1 384.429 0.392 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)c4cnns4)C[C@@H]3C2)n1 ZINC001571242034 953252610 /nfs/dbraw/zinc/25/26/10/953252610.db2.gz TUYSDBVCAVFRGL-AOOOYVTPSA-N -1 1 384.429 0.025 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)c4cnns4)C[C@@H]3C2)n1 ZINC001571242034 953252613 /nfs/dbraw/zinc/25/26/13/953252613.db2.gz TUYSDBVCAVFRGL-AOOOYVTPSA-N -1 1 384.429 0.025 20 0 GCADMM CC1(NC(=O)[C@@H]2C[C@]23CCOC3)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571242204 953253684 /nfs/dbraw/zinc/25/36/84/953253684.db2.gz CESMMZIPZZIXRE-SGTLLEGYSA-N -1 1 384.444 0.558 20 0 GCADMM CC1(NC(=O)[C@@H]2C[C@]23CCOC3)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571242204 953253685 /nfs/dbraw/zinc/25/36/85/953253685.db2.gz CESMMZIPZZIXRE-SGTLLEGYSA-N -1 1 384.444 0.558 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC[C@@H]2C)n1 ZINC001571242427 953255985 /nfs/dbraw/zinc/25/59/85/953255985.db2.gz GABBQTMNDXOKON-GGAZOKNXSA-N -1 1 384.444 0.331 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC[C@@H]2C)n1 ZINC001571242427 953255986 /nfs/dbraw/zinc/25/59/86/953255986.db2.gz GABBQTMNDXOKON-GGAZOKNXSA-N -1 1 384.444 0.331 20 0 GCADMM CO[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CC1 ZINC001571242380 953256302 /nfs/dbraw/zinc/25/63/02/953256302.db2.gz DYNVWVKWPPNOFW-DVOMOZLQSA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CC1 ZINC001571242380 953256304 /nfs/dbraw/zinc/25/63/04/953256304.db2.gz DYNVWVKWPPNOFW-DVOMOZLQSA-N -1 1 384.444 0.366 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001571242463 953256983 /nfs/dbraw/zinc/25/69/83/953256983.db2.gz GYILZCKUQGOAMH-WRSAYESZSA-N -1 1 384.444 0.653 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001571242463 953256987 /nfs/dbraw/zinc/25/69/87/953256987.db2.gz GYILZCKUQGOAMH-WRSAYESZSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1C[C@H]1C(=O)N1CCOC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571242526 953257053 /nfs/dbraw/zinc/25/70/53/953257053.db2.gz IGGCKJVNRZENLJ-CHWSQXEVSA-N -1 1 384.444 0.511 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001571242575 953257892 /nfs/dbraw/zinc/25/78/92/953257892.db2.gz JGPWNUQXDUTYGQ-LXIYXOSZSA-N -1 1 384.444 0.477 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001571242575 953257894 /nfs/dbraw/zinc/25/78/94/953257894.db2.gz JGPWNUQXDUTYGQ-LXIYXOSZSA-N -1 1 384.444 0.477 20 0 GCADMM CO[C@@H]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571242851 953260130 /nfs/dbraw/zinc/26/01/30/953260130.db2.gz PMCZZQMTQRZBND-QVHKTLOISA-N -1 1 384.444 0.366 20 0 GCADMM CO[C@@H]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571242851 953260132 /nfs/dbraw/zinc/26/01/32/953260132.db2.gz PMCZZQMTQRZBND-QVHKTLOISA-N -1 1 384.444 0.366 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(NC(=O)[C@]34C[C@H]3COC4)CC2)n1 ZINC001571242819 953260158 /nfs/dbraw/zinc/26/01/58/953260158.db2.gz OUXMLWHREXKOEF-SGTLLEGYSA-N -1 1 384.444 0.477 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(NC(=O)[C@]34C[C@H]3COC4)CC2)n1 ZINC001571242819 953260160 /nfs/dbraw/zinc/26/01/60/953260160.db2.gz OUXMLWHREXKOEF-SGTLLEGYSA-N -1 1 384.444 0.477 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C3CC4(CC4)C3)[C@H](O)C2)n1 ZINC001571242780 953260234 /nfs/dbraw/zinc/26/02/34/953260234.db2.gz NVSIHUFHNQVKLZ-GXTWGEPZSA-N -1 1 384.444 0.211 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C3CC4(CC4)C3)[C@H](O)C2)n1 ZINC001571242780 953260235 /nfs/dbraw/zinc/26/02/35/953260235.db2.gz NVSIHUFHNQVKLZ-GXTWGEPZSA-N -1 1 384.444 0.211 20 0 GCADMM C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001571242816 953260386 /nfs/dbraw/zinc/26/03/86/953260386.db2.gz OUPVUVIWMHNLBB-OLZOCXBDSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001571242816 953260389 /nfs/dbraw/zinc/26/03/89/953260389.db2.gz OUPVUVIWMHNLBB-OLZOCXBDSA-N -1 1 384.444 0.511 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C3=CCCC3)[C@@H](O)C2)n1 ZINC001571242890 953260754 /nfs/dbraw/zinc/26/07/54/953260754.db2.gz QMAORXOJUWLULI-JSGCOSHPSA-N -1 1 384.444 0.385 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C3=CCCC3)[C@@H](O)C2)n1 ZINC001571242890 953260756 /nfs/dbraw/zinc/26/07/56/953260756.db2.gz QMAORXOJUWLULI-JSGCOSHPSA-N -1 1 384.444 0.385 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCO[C@@H]2C)n1 ZINC001571242898 953261135 /nfs/dbraw/zinc/26/11/35/953261135.db2.gz QOOHYVFBHOKJHJ-XMQPUEPBSA-N -1 1 384.444 0.195 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCO[C@@H]2C)n1 ZINC001571242898 953261139 /nfs/dbraw/zinc/26/11/39/953261139.db2.gz QOOHYVFBHOKJHJ-XMQPUEPBSA-N -1 1 384.444 0.195 20 0 GCADMM CN(CC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571242875 953261345 /nfs/dbraw/zinc/26/13/45/953261345.db2.gz QENNNDUWNWUACX-VIKVFOODSA-N -1 1 384.444 0.224 20 0 GCADMM CN(CC1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571242875 953261348 /nfs/dbraw/zinc/26/13/48/953261348.db2.gz QENNNDUWNWUACX-VIKVFOODSA-N -1 1 384.444 0.224 20 0 GCADMM CN(C(=O)[C@@H]1C[C@@]12CCOC2)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571242962 953262058 /nfs/dbraw/zinc/26/20/58/953262058.db2.gz SALQBLHCCNRYCU-SCLBCKFNSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)C2CC3(CC3)C2)CCO1 ZINC001571243003 953262155 /nfs/dbraw/zinc/26/21/55/953262155.db2.gz SUEYUTWGNJTFHQ-RISCZKNCSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)C2CC3(CC3)C2)CCO1 ZINC001571243003 953262159 /nfs/dbraw/zinc/26/21/59/953262159.db2.gz SUEYUTWGNJTFHQ-RISCZKNCSA-N -1 1 384.444 0.875 20 0 GCADMM CC1(C(=O)N2CC[C@]3(C2)CN(c2cncc(-c4nnn[n-]4)n2)CCO3)CCC1 ZINC001571243035 953262958 /nfs/dbraw/zinc/26/29/58/953262958.db2.gz ULGZGENRFPMHIG-GOSISDBHSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CC[C@]3(C2)CN(c2cncc(-c4nn[n-]n4)n2)CCO3)CCC1 ZINC001571243035 953262959 /nfs/dbraw/zinc/26/29/59/953262959.db2.gz ULGZGENRFPMHIG-GOSISDBHSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)O1 ZINC001571243173 953263318 /nfs/dbraw/zinc/26/33/18/953263318.db2.gz XZNLMLFTBDIQJH-KPZWWZAWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)O1 ZINC001571243173 953263322 /nfs/dbraw/zinc/26/33/22/953263322.db2.gz XZNLMLFTBDIQJH-KPZWWZAWSA-N -1 1 384.444 0.653 20 0 GCADMM CO[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001571243141 953263612 /nfs/dbraw/zinc/26/36/12/953263612.db2.gz XAWRYKROHMIUIN-ZENOOKHLSA-N -1 1 384.444 0.651 20 0 GCADMM CO[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001571243141 953263614 /nfs/dbraw/zinc/26/36/14/953263614.db2.gz XAWRYKROHMIUIN-ZENOOKHLSA-N -1 1 384.444 0.651 20 0 GCADMM COC1CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571243190 953264025 /nfs/dbraw/zinc/26/40/25/953264025.db2.gz YFJAIUQNCXJNLU-DKNRTOFZSA-N -1 1 384.444 0.651 20 0 GCADMM COC1CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571243190 953264028 /nfs/dbraw/zinc/26/40/28/953264028.db2.gz YFJAIUQNCXJNLU-DKNRTOFZSA-N -1 1 384.444 0.651 20 0 GCADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571247523 953283433 /nfs/dbraw/zinc/28/34/33/953283433.db2.gz ACHOQWQNWUDCQB-MJBXVCDLSA-N -1 1 384.444 0.732 20 0 GCADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571247523 953283435 /nfs/dbraw/zinc/28/34/35/953283435.db2.gz ACHOQWQNWUDCQB-MJBXVCDLSA-N -1 1 384.444 0.732 20 0 GCADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571247525 953283834 /nfs/dbraw/zinc/28/38/34/953283834.db2.gz AGIOFJFJQPYWQK-ITGUQSILSA-N -1 1 384.444 0.468 20 0 GCADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571247525 953283836 /nfs/dbraw/zinc/28/38/36/953283836.db2.gz AGIOFJFJQPYWQK-ITGUQSILSA-N -1 1 384.444 0.468 20 0 GCADMM O=C([C@@H]1CC12CCOCC2)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571247632 953284087 /nfs/dbraw/zinc/28/40/87/953284087.db2.gz AUHCFIPYLNKSAM-STQMWFEESA-N -1 1 384.444 0.876 20 0 GCADMM O=C([C@@H]1CC12CCOCC2)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571247632 953284093 /nfs/dbraw/zinc/28/40/93/953284093.db2.gz AUHCFIPYLNKSAM-STQMWFEESA-N -1 1 384.444 0.876 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)[C@H]1CCCC12CC2 ZINC001571248141 953289819 /nfs/dbraw/zinc/28/98/19/953289819.db2.gz FCVFMFLFCXKXQT-QWHCGFSZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)[C@H]1CCCC12CC2 ZINC001571248141 953289821 /nfs/dbraw/zinc/28/98/21/953289821.db2.gz FCVFMFLFCXKXQT-QWHCGFSZSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248124 953289990 /nfs/dbraw/zinc/28/99/90/953289990.db2.gz DZMPIPBYLNJDCH-WRSAYESZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248124 953289993 /nfs/dbraw/zinc/28/99/93/953289993.db2.gz DZMPIPBYLNJDCH-WRSAYESZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571248558 953295142 /nfs/dbraw/zinc/29/51/42/953295142.db2.gz GORWILCXUJCPPX-FOCJUVANSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571248558 953295144 /nfs/dbraw/zinc/29/51/44/953295144.db2.gz GORWILCXUJCPPX-FOCJUVANSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1=CCOCC1 ZINC001571248787 953297065 /nfs/dbraw/zinc/29/70/65/953297065.db2.gz IIJGCBSJLPBUPA-UONOGXRCSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(C1CCOCC1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571248814 953298057 /nfs/dbraw/zinc/29/80/57/953298057.db2.gz JCZKOQBVKYCPTI-GOSISDBHSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571248932 953298654 /nfs/dbraw/zinc/29/86/54/953298654.db2.gz MEHUZGRQXRPXNI-IGQOVBAYSA-N -1 1 384.444 0.414 20 0 GCADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571248932 953298657 /nfs/dbraw/zinc/29/86/57/953298657.db2.gz MEHUZGRQXRPXNI-IGQOVBAYSA-N -1 1 384.444 0.414 20 0 GCADMM O=C([C@H]1CCOC1)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571248943 953298771 /nfs/dbraw/zinc/29/87/71/953298771.db2.gz MJUOAAROODLYDM-ZDUSSCGKSA-N -1 1 384.444 0.512 20 0 GCADMM O=C([C@H]1CCOC1)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571248943 953298774 /nfs/dbraw/zinc/29/87/74/953298774.db2.gz MJUOAAROODLYDM-ZDUSSCGKSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571248905 953298840 /nfs/dbraw/zinc/29/88/40/953298840.db2.gz LNIURLMUSYDNOF-WPKBUWHJSA-N -1 1 384.444 0.843 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571248905 953298841 /nfs/dbraw/zinc/29/88/41/953298841.db2.gz LNIURLMUSYDNOF-WPKBUWHJSA-N -1 1 384.444 0.843 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249409 953304608 /nfs/dbraw/zinc/30/46/08/953304608.db2.gz PLVADJMRVPITNP-KBXCAEBGSA-N -1 1 384.444 0.655 20 0 GCADMM O=C([C@@H]1CCCCO1)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249409 953304610 /nfs/dbraw/zinc/30/46/10/953304610.db2.gz PLVADJMRVPITNP-KBXCAEBGSA-N -1 1 384.444 0.655 20 0 GCADMM O=C(N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1CCCOC1 ZINC001571250360 953310408 /nfs/dbraw/zinc/31/04/08/953310408.db2.gz QZPYXXXBIGCNHG-JCGVRSQUSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@@H]1CCOC1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571250303 953310505 /nfs/dbraw/zinc/31/05/05/953310505.db2.gz QMGOKHUEHWZBOB-MJBXVCDLSA-N -1 1 384.444 0.653 20 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CCS(=O)(=O)N(C)CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736659793 598957433 /nfs/dbraw/zinc/95/74/33/598957433.db2.gz WFLRTNAMAPXEQE-UHFFFAOYSA-N -1 1 376.446 0.893 20 0 GCADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cccc1-c1nn[nH]n1 ZINC000822128578 607255735 /nfs/dbraw/zinc/25/57/35/607255735.db2.gz DLHMGUXOSPUSDW-UHFFFAOYSA-N -1 1 384.377 0.860 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000738260094 598982888 /nfs/dbraw/zinc/98/28/88/598982888.db2.gz ZIJRSSFRIVJRRV-OLZOCXBDSA-N -1 1 392.441 0.070 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000738260094 598982890 /nfs/dbraw/zinc/98/28/90/598982890.db2.gz ZIJRSSFRIVJRRV-OLZOCXBDSA-N -1 1 392.441 0.070 20 0 GCADMM O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738184998 598987333 /nfs/dbraw/zinc/98/73/33/598987333.db2.gz PTCIIAPKEPNCOB-UHFFFAOYSA-N -1 1 385.409 0.955 20 0 GCADMM O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738184998 598987335 /nfs/dbraw/zinc/98/73/35/598987335.db2.gz PTCIIAPKEPNCOB-UHFFFAOYSA-N -1 1 385.409 0.955 20 0 GCADMM COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737067274 598987653 /nfs/dbraw/zinc/98/76/53/598987653.db2.gz SWYDSTANKVSSBO-UHFFFAOYSA-N -1 1 393.407 0.869 20 0 GCADMM COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737067274 598987654 /nfs/dbraw/zinc/98/76/54/598987654.db2.gz SWYDSTANKVSSBO-UHFFFAOYSA-N -1 1 393.407 0.869 20 0 GCADMM CN1CC(=O)N(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)C1=O ZINC000736845154 598992966 /nfs/dbraw/zinc/99/29/66/598992966.db2.gz JPWQLMPKECKBCW-UHFFFAOYSA-N -1 1 378.352 0.912 20 0 GCADMM CN1CC(=O)N(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)C1=O ZINC000736845154 598992968 /nfs/dbraw/zinc/99/29/68/598992968.db2.gz JPWQLMPKECKBCW-UHFFFAOYSA-N -1 1 378.352 0.912 20 0 GCADMM O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737975383 598998833 /nfs/dbraw/zinc/99/88/33/598998833.db2.gz ZTNSMKIUMCZMAS-UHFFFAOYSA-N -1 1 395.398 0.928 20 0 GCADMM O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737975383 598998835 /nfs/dbraw/zinc/99/88/35/598998835.db2.gz ZTNSMKIUMCZMAS-UHFFFAOYSA-N -1 1 395.398 0.928 20 0 GCADMM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737747526 599003086 /nfs/dbraw/zinc/00/30/86/599003086.db2.gz NWPSUCDFFOLLGL-UHFFFAOYSA-N -1 1 398.358 0.258 20 0 GCADMM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737747526 599003088 /nfs/dbraw/zinc/00/30/88/599003088.db2.gz NWPSUCDFFOLLGL-UHFFFAOYSA-N -1 1 398.358 0.258 20 0 GCADMM CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736790512 599009656 /nfs/dbraw/zinc/00/96/56/599009656.db2.gz ICIQIFMCSCJVSP-VIFPVBQESA-N -1 1 389.434 0.061 20 0 GCADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736199057 599019832 /nfs/dbraw/zinc/01/98/32/599019832.db2.gz MYYKSABFPUBOHJ-JTQLQIEISA-N -1 1 387.425 0.742 20 0 GCADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736199057 599019833 /nfs/dbraw/zinc/01/98/33/599019833.db2.gz MYYKSABFPUBOHJ-JTQLQIEISA-N -1 1 387.425 0.742 20 0 GCADMM NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737761485 599022838 /nfs/dbraw/zinc/02/28/38/599022838.db2.gz YTBMCJSAJZLKLN-UHFFFAOYSA-N -1 1 392.423 0.319 20 0 GCADMM NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737761485 599022839 /nfs/dbraw/zinc/02/28/39/599022839.db2.gz YTBMCJSAJZLKLN-UHFFFAOYSA-N -1 1 392.423 0.319 20 0 GCADMM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736886301 599027015 /nfs/dbraw/zinc/02/70/15/599027015.db2.gz HJQQGMRQEPNPER-UHFFFAOYSA-N -1 1 385.409 0.373 20 0 GCADMM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736886301 599027016 /nfs/dbraw/zinc/02/70/16/599027016.db2.gz HJQQGMRQEPNPER-UHFFFAOYSA-N -1 1 385.409 0.373 20 0 GCADMM C[C@]1(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)NC(=O)NC1=O ZINC000736221930 599027525 /nfs/dbraw/zinc/02/75/25/599027525.db2.gz CPFUPRUXLPJXTC-GOSISDBHSA-N -1 1 392.379 0.246 20 0 GCADMM C[C@]1(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)NC(=O)NC1=O ZINC000736221930 599027526 /nfs/dbraw/zinc/02/75/26/599027526.db2.gz CPFUPRUXLPJXTC-GOSISDBHSA-N -1 1 392.379 0.246 20 0 GCADMM CCc1nc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC000736704775 599030883 /nfs/dbraw/zinc/03/08/83/599030883.db2.gz SVHRXYGTGRRZNE-GFCCVEGCSA-N -1 1 383.416 0.602 20 0 GCADMM CCc1nc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC000736704775 599030885 /nfs/dbraw/zinc/03/08/85/599030885.db2.gz SVHRXYGTGRRZNE-GFCCVEGCSA-N -1 1 383.416 0.602 20 0 GCADMM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737761027 599031328 /nfs/dbraw/zinc/03/13/28/599031328.db2.gz OIZKVXZPZZHUPE-GFCCVEGCSA-N -1 1 378.396 0.369 20 0 GCADMM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737761027 599031329 /nfs/dbraw/zinc/03/13/29/599031329.db2.gz OIZKVXZPZZHUPE-GFCCVEGCSA-N -1 1 378.396 0.369 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(c2ccccn2)CC1 ZINC000738352996 599032210 /nfs/dbraw/zinc/03/22/10/599032210.db2.gz BDBNXQVIDMBWNH-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(c2ccccn2)CC1 ZINC000738352996 599032212 /nfs/dbraw/zinc/03/22/12/599032212.db2.gz BDBNXQVIDMBWNH-UHFFFAOYSA-N -1 1 389.416 0.912 20 0 GCADMM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[C@@H]1c1ccccc1 ZINC000820767912 599050251 /nfs/dbraw/zinc/05/02/51/599050251.db2.gz KDUZERPTZUWJBK-OCCSQVGLSA-N -1 1 381.440 0.894 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](CSc3ccccc3)C2)n(C)c1=O ZINC000822600380 599089043 /nfs/dbraw/zinc/08/90/43/599089043.db2.gz MUEXTFDNFUCDKA-GFCCVEGCSA-N -1 1 399.480 0.883 20 0 GCADMM C[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1F ZINC000820275076 599097458 /nfs/dbraw/zinc/09/74/58/599097458.db2.gz NBKNVWHMACHWIW-QMMMGPOBSA-N -1 1 377.355 0.758 20 0 GCADMM CCO[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCC2 ZINC000821360381 599101014 /nfs/dbraw/zinc/10/10/14/599101014.db2.gz RADAQIMGUKUOBD-WDEREUQCSA-N -1 1 375.433 0.414 20 0 GCADMM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736879640 599102418 /nfs/dbraw/zinc/10/24/18/599102418.db2.gz XLQHLEBXFZCMOW-INIZCTEOSA-N -1 1 390.407 0.830 20 0 GCADMM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736879640 599102421 /nfs/dbraw/zinc/10/24/21/599102421.db2.gz XLQHLEBXFZCMOW-INIZCTEOSA-N -1 1 390.407 0.830 20 0 GCADMM O=C(NN1CC(=O)[N-]C1=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738307308 599107820 /nfs/dbraw/zinc/10/78/20/599107820.db2.gz QFNIOELOCRLBMS-UHFFFAOYSA-N -1 1 393.363 0.642 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2C[C@H](O)c2ccccc2)n(C)c1=O ZINC000822601187 599108713 /nfs/dbraw/zinc/10/87/13/599108713.db2.gz UWYOLYKKIZTBOK-KBPBESRZSA-N -1 1 397.439 0.357 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cc(=O)[nH]c3ccccc23)n(C)c1=O ZINC000737595091 599120313 /nfs/dbraw/zinc/12/03/13/599120313.db2.gz FTIKZSAPJUCPJD-UHFFFAOYSA-N -1 1 380.368 0.130 20 0 GCADMM CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735473198 599131067 /nfs/dbraw/zinc/13/10/67/599131067.db2.gz HASLVEMXLWEYPH-UHFFFAOYSA-N -1 1 394.391 0.980 20 0 GCADMM CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735473198 599131069 /nfs/dbraw/zinc/13/10/69/599131069.db2.gz HASLVEMXLWEYPH-UHFFFAOYSA-N -1 1 394.391 0.980 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCCN1CCc2ccccc21 ZINC000737908993 599137214 /nfs/dbraw/zinc/13/72/14/599137214.db2.gz OPDDVQBLNLZZIY-UHFFFAOYSA-N -1 1 393.407 0.597 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCCN1CCc2ccccc21 ZINC000737908993 599137216 /nfs/dbraw/zinc/13/72/16/599137216.db2.gz OPDDVQBLNLZZIY-UHFFFAOYSA-N -1 1 393.407 0.597 20 0 GCADMM O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738219354 599155056 /nfs/dbraw/zinc/15/50/56/599155056.db2.gz DFKDRVLLUYLQLF-UHFFFAOYSA-N -1 1 393.363 0.924 20 0 GCADMM O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738219354 599155059 /nfs/dbraw/zinc/15/50/59/599155059.db2.gz DFKDRVLLUYLQLF-UHFFFAOYSA-N -1 1 393.363 0.924 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]2c2c(F)cccc2F)n(C)c1=O ZINC000737598081 599171733 /nfs/dbraw/zinc/17/17/33/599171733.db2.gz YFGLHVHPGWNFQR-OIBJUYFYSA-N -1 1 375.339 0.510 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H]1CCN(C)C1=O ZINC000737486918 599186844 /nfs/dbraw/zinc/18/68/44/599186844.db2.gz GMUXCOBQNSSNIN-CYBMUJFWSA-N -1 1 384.400 0.233 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H]1CCN(C)C1=O ZINC000737486918 599186847 /nfs/dbraw/zinc/18/68/47/599186847.db2.gz GMUXCOBQNSSNIN-CYBMUJFWSA-N -1 1 384.400 0.233 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1CC ZINC000736623695 599209886 /nfs/dbraw/zinc/20/98/86/599209886.db2.gz LPODSWPHURDHRI-ZDUSSCGKSA-N -1 1 395.489 0.383 20 0 GCADMM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1CC ZINC000736623695 599209888 /nfs/dbraw/zinc/20/98/88/599209888.db2.gz LPODSWPHURDHRI-ZDUSSCGKSA-N -1 1 395.489 0.383 20 0 GCADMM Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737333148 599211186 /nfs/dbraw/zinc/21/11/86/599211186.db2.gz RRDULTDTRODMKW-ZDUSSCGKSA-N -1 1 376.398 0.925 20 0 GCADMM Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737333148 599211187 /nfs/dbraw/zinc/21/11/87/599211187.db2.gz RRDULTDTRODMKW-ZDUSSCGKSA-N -1 1 376.398 0.925 20 0 GCADMM NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000819130511 597073864 /nfs/dbraw/zinc/07/38/64/597073864.db2.gz AFDWSTDAEFJADS-GFCCVEGCSA-N -1 1 381.454 0.410 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc2)[nH]1 ZINC000818506971 597189992 /nfs/dbraw/zinc/18/99/92/597189992.db2.gz UZDVFPXPNYOFMS-MRXNPFEDSA-N -1 1 375.381 0.720 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1O ZINC000822458886 607297524 /nfs/dbraw/zinc/29/75/24/607297524.db2.gz IFSNVDFRJGOCSK-HUUCEWRRSA-N -1 1 384.444 0.879 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1O ZINC000822458886 607297525 /nfs/dbraw/zinc/29/75/25/607297525.db2.gz IFSNVDFRJGOCSK-HUUCEWRRSA-N -1 1 384.444 0.879 20 0 GCADMM CC(=O)Nc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1Cl ZINC000817715901 597478136 /nfs/dbraw/zinc/47/81/36/597478136.db2.gz MFZFAOLGHHDYJN-UHFFFAOYSA-N -1 1 377.850 0.935 20 0 GCADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2CC[C@H](C(=O)[O-])C2)cc(C(=O)OC)c1 ZINC000818517165 597528135 /nfs/dbraw/zinc/52/81/35/597528135.db2.gz ZHEMHHVIHVVWTB-MNOVXSKESA-N -1 1 378.381 0.993 20 0 GCADMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000818520352 597536057 /nfs/dbraw/zinc/53/60/57/597536057.db2.gz NJNZZSUAWOKSHZ-PWSUYJOCSA-N -1 1 378.381 0.993 20 0 GCADMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000818520351 597536074 /nfs/dbraw/zinc/53/60/74/597536074.db2.gz NJNZZSUAWOKSHZ-JQWIXIFHSA-N -1 1 378.381 0.993 20 0 GCADMM CC(=O)NCCN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@@H](C)C(=O)[O-] ZINC000819746009 597700861 /nfs/dbraw/zinc/70/08/61/597700861.db2.gz QARNJGDQOFUREX-JTQLQIEISA-N -1 1 392.437 0.123 20 0 GCADMM COC[C@H](C)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736967398 599274093 /nfs/dbraw/zinc/27/40/93/599274093.db2.gz BHLATPMCYSKWAJ-JTQLQIEISA-N -1 1 397.461 0.219 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1-c1nn[n-]n1 ZINC000737186485 599275727 /nfs/dbraw/zinc/27/57/27/599275727.db2.gz IBUUOYJNIBOLPN-LLVKDONJSA-N -1 1 389.441 0.572 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2nc(C(C)(C)C)cs2)n(C)c1=O ZINC000737595133 598245365 /nfs/dbraw/zinc/24/53/65/598245365.db2.gz HEAMGFNOPKSHIA-UHFFFAOYSA-N -1 1 376.446 0.630 20 0 GCADMM COc1c(C)cc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1C ZINC000737023018 598248318 /nfs/dbraw/zinc/24/83/18/598248318.db2.gz GRQJNXQFXRWRGV-UHFFFAOYSA-N -1 1 385.428 0.526 20 0 GCADMM COc1cccc2c1OCC[C@H]2Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737142966 598248322 /nfs/dbraw/zinc/24/83/22/598248322.db2.gz NWNJJPYPLSBBPA-SNVBAGLBSA-N -1 1 385.384 0.208 20 0 GCADMM CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736791454 598260660 /nfs/dbraw/zinc/26/06/60/598260660.db2.gz NLTKQAYHSXPBKF-NSHDSACASA-N -1 1 388.409 0.722 20 0 GCADMM CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736791454 598260662 /nfs/dbraw/zinc/26/06/62/598260662.db2.gz NLTKQAYHSXPBKF-NSHDSACASA-N -1 1 388.409 0.722 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(-n2cncn2)cc1 ZINC000736133026 598260826 /nfs/dbraw/zinc/26/08/26/598260826.db2.gz YWAAIDLXOYJXSW-LLVKDONJSA-N -1 1 397.424 0.882 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(-n2cncn2)cc1 ZINC000736133026 598260827 /nfs/dbraw/zinc/26/08/27/598260827.db2.gz YWAAIDLXOYJXSW-LLVKDONJSA-N -1 1 397.424 0.882 20 0 GCADMM O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344224 598263264 /nfs/dbraw/zinc/26/32/64/598263264.db2.gz CIRYKJNKHUULJR-UHFFFAOYSA-N -1 1 397.424 0.380 20 0 GCADMM O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344224 598263265 /nfs/dbraw/zinc/26/32/65/598263265.db2.gz CIRYKJNKHUULJR-UHFFFAOYSA-N -1 1 397.424 0.380 20 0 GCADMM CCNC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736577685 598265761 /nfs/dbraw/zinc/26/57/61/598265761.db2.gz KSHQZBOJZXFRHH-UHFFFAOYSA-N -1 1 387.425 0.490 20 0 GCADMM CCNC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736577685 598265762 /nfs/dbraw/zinc/26/57/62/598265762.db2.gz KSHQZBOJZXFRHH-UHFFFAOYSA-N -1 1 387.425 0.490 20 0 GCADMM CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736576480 598265922 /nfs/dbraw/zinc/26/59/22/598265922.db2.gz UXURZYBJJVNAFO-UHFFFAOYSA-N -1 1 387.425 0.490 20 0 GCADMM CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736576480 598265924 /nfs/dbraw/zinc/26/59/24/598265924.db2.gz UXURZYBJJVNAFO-UHFFFAOYSA-N -1 1 387.425 0.490 20 0 GCADMM CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736595600 598268839 /nfs/dbraw/zinc/26/88/39/598268839.db2.gz LDJNGQYLXBVTDE-UHFFFAOYSA-N -1 1 380.430 0.616 20 0 GCADMM CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736595600 598268841 /nfs/dbraw/zinc/26/88/41/598268841.db2.gz LDJNGQYLXBVTDE-UHFFFAOYSA-N -1 1 380.430 0.616 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2cscn2)CC1 ZINC000738356115 598269469 /nfs/dbraw/zinc/26/94/69/598269469.db2.gz XAWRIILKMUOAKX-UHFFFAOYSA-N -1 1 392.470 0.225 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2cscn2)CC1 ZINC000738356115 598269470 /nfs/dbraw/zinc/26/94/70/598269470.db2.gz XAWRIILKMUOAKX-UHFFFAOYSA-N -1 1 392.470 0.225 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCN2CCO[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000737186545 598286735 /nfs/dbraw/zinc/28/67/35/598286735.db2.gz JIGFOYNQMFMHSP-SECBINFHSA-N -1 1 379.446 0.140 20 0 GCADMM Cc1oc(NC(=O)COC(=O)C2(C(=O)NC3CC3)CC2)c(-c2nn[n-]n2)c1C ZINC000737553932 598288181 /nfs/dbraw/zinc/28/81/81/598288181.db2.gz YBHATZWAMCGHDY-UHFFFAOYSA-N -1 1 388.384 0.617 20 0 GCADMM CCc1nc(CCNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)no1 ZINC000736699612 598297033 /nfs/dbraw/zinc/29/70/33/598297033.db2.gz MRGAJUSCJMVMSJ-UHFFFAOYSA-N -1 1 386.416 0.821 20 0 GCADMM CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735685575 598300553 /nfs/dbraw/zinc/30/05/53/598300553.db2.gz XUNXBJFZFDXCFK-LBPRGKRZSA-N -1 1 393.473 0.435 20 0 GCADMM CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735685575 598300556 /nfs/dbraw/zinc/30/05/56/598300556.db2.gz XUNXBJFZFDXCFK-LBPRGKRZSA-N -1 1 393.473 0.435 20 0 GCADMM COCCNC(=O)[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737007138 598307384 /nfs/dbraw/zinc/30/73/84/598307384.db2.gz QTEQVLSVEQTWKD-LLVKDONJSA-N -1 1 392.416 0.211 20 0 GCADMM COc1cc(OC)cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737052580 598342948 /nfs/dbraw/zinc/34/29/48/598342948.db2.gz SYWVPZTYEGNXPM-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM COc1cc(OC)cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737052580 598342950 /nfs/dbraw/zinc/34/29/50/598342950.db2.gz SYWVPZTYEGNXPM-UHFFFAOYSA-N -1 1 396.411 0.636 20 0 GCADMM O=C(CCNc1nccnc1-c1nnn[n-]1)N1CCN(c2ccccn2)CC1 ZINC000737848862 598349530 /nfs/dbraw/zinc/34/95/30/598349530.db2.gz USQBKSPEZPCOGH-UHFFFAOYSA-N -1 1 380.416 0.203 20 0 GCADMM O=C(CCNc1nccnc1-c1nn[n-]n1)N1CCN(c2ccccn2)CC1 ZINC000737848862 598349532 /nfs/dbraw/zinc/34/95/32/598349532.db2.gz USQBKSPEZPCOGH-UHFFFAOYSA-N -1 1 380.416 0.203 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCCC[C@@H]1C ZINC000736130360 598355805 /nfs/dbraw/zinc/35/58/05/598355805.db2.gz LXNRSXUAJYWAQC-WDEREUQCSA-N -1 1 379.446 0.330 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCCC[C@@H]1C ZINC000736130360 598355806 /nfs/dbraw/zinc/35/58/06/598355806.db2.gz LXNRSXUAJYWAQC-WDEREUQCSA-N -1 1 379.446 0.330 20 0 GCADMM CCNC(=O)c1cccc(NC(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC000821294025 607349024 /nfs/dbraw/zinc/34/90/24/607349024.db2.gz PQFPZWUQGLTNMR-UHFFFAOYSA-N -1 1 381.396 0.725 20 0 GCADMM CC(C)(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735587550 598369436 /nfs/dbraw/zinc/36/94/36/598369436.db2.gz VGUCZMWRNKGCHC-LLVKDONJSA-N -1 1 393.473 0.577 20 0 GCADMM CC(C)(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735587550 598369438 /nfs/dbraw/zinc/36/94/38/598369438.db2.gz VGUCZMWRNKGCHC-LLVKDONJSA-N -1 1 393.473 0.577 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCNc1ncccn1 ZINC000737199636 598375643 /nfs/dbraw/zinc/37/56/43/598375643.db2.gz ITAOLHCZJHKDIM-UHFFFAOYSA-N -1 1 384.400 0.962 20 0 GCADMM CCn1cnnc1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736722494 598375919 /nfs/dbraw/zinc/37/59/19/598375919.db2.gz PIFZAONVGJOXDJ-UHFFFAOYSA-N -1 1 389.445 0.441 20 0 GCADMM CCn1cnnc1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736722494 598375921 /nfs/dbraw/zinc/37/59/21/598375921.db2.gz PIFZAONVGJOXDJ-UHFFFAOYSA-N -1 1 389.445 0.441 20 0 GCADMM CC(C)COc1ccc(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000735845277 598388030 /nfs/dbraw/zinc/38/80/30/598388030.db2.gz VCQFDCLJPYRRCK-UHFFFAOYSA-N -1 1 399.455 0.954 20 0 GCADMM CS(=O)(=O)c1ccccc1-n1cc(Nc2nccnc2-c2nnn[n-]2)cn1 ZINC000737174669 598389667 /nfs/dbraw/zinc/38/96/67/598389667.db2.gz XLCHLSCSOVNCII-UHFFFAOYSA-N -1 1 383.397 0.990 20 0 GCADMM CS(=O)(=O)c1ccccc1-n1cc(Nc2nccnc2-c2nn[n-]n2)cn1 ZINC000737174669 598389669 /nfs/dbraw/zinc/38/96/69/598389669.db2.gz XLCHLSCSOVNCII-UHFFFAOYSA-N -1 1 383.397 0.990 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCCN2CCCCC2=O)cc1-c1nn[n-]n1 ZINC000737187078 598408520 /nfs/dbraw/zinc/40/85/20/598408520.db2.gz OPOVDXCRYGPWDR-UHFFFAOYSA-N -1 1 391.457 0.822 20 0 GCADMM O=C(COC(=O)C1=COCCO1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737908778 598409143 /nfs/dbraw/zinc/40/91/43/598409143.db2.gz POOHCYBBUJTBSG-UHFFFAOYSA-N -1 1 397.351 0.422 20 0 GCADMM O=C(COC(=O)C1=COCCO1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737908778 598409144 /nfs/dbraw/zinc/40/91/44/598409144.db2.gz POOHCYBBUJTBSG-UHFFFAOYSA-N -1 1 397.351 0.422 20 0 GCADMM Cc1csc(CCCCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000737452852 598421768 /nfs/dbraw/zinc/42/17/68/598421768.db2.gz OJTJYMWBNYBAQR-UHFFFAOYSA-N -1 1 376.446 0.464 20 0 GCADMM COC(=O)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736909114 598425014 /nfs/dbraw/zinc/42/50/14/598425014.db2.gz HTSQQHRBOSNLOH-QMMMGPOBSA-N -1 1 378.414 0.714 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCNS(C)(=O)=O ZINC000737549678 598431814 /nfs/dbraw/zinc/43/18/14/598431814.db2.gz WVUFSOQBVOMEGT-UHFFFAOYSA-N -1 1 380.386 0.265 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCNS(C)(=O)=O ZINC000737549678 598431816 /nfs/dbraw/zinc/43/18/16/598431816.db2.gz WVUFSOQBVOMEGT-UHFFFAOYSA-N -1 1 380.386 0.265 20 0 GCADMM CC(C)Cc1nc(-c2nn[n-]n2)c(NNC(=S)NCC(=O)NC(C)C)o1 ZINC000735851019 598439149 /nfs/dbraw/zinc/43/91/49/598439149.db2.gz JTDYJVWCVLBGFF-UHFFFAOYSA-N -1 1 381.466 0.369 20 0 GCADMM Cc1cccc(N2C(=O)N[C@@H](CCC(=O)n3ncc(-c4nn[n-]n4)c3N)C2=O)c1 ZINC000737396787 598474197 /nfs/dbraw/zinc/47/41/97/598474197.db2.gz RASKIAXQLMNHCC-LBPRGKRZSA-N -1 1 395.383 0.499 20 0 GCADMM Cc1cccc(N2C(=O)N[C@H](CCC(=O)n3ncc(-c4nn[n-]n4)c3N)C2=O)c1 ZINC000737396786 598474403 /nfs/dbraw/zinc/47/44/03/598474403.db2.gz RASKIAXQLMNHCC-GFCCVEGCSA-N -1 1 395.383 0.499 20 0 GCADMM CN(C)c1nnc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)s1 ZINC000736779047 598533442 /nfs/dbraw/zinc/53/34/42/598533442.db2.gz KCNPSPCTPSKMBI-UHFFFAOYSA-N -1 1 376.431 0.825 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC000736261419 598537729 /nfs/dbraw/zinc/53/77/29/598537729.db2.gz NYXOXTPIQKFLGP-KGLIPLIRSA-N -1 1 385.476 0.474 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC000736261419 598537730 /nfs/dbraw/zinc/53/77/30/598537730.db2.gz NYXOXTPIQKFLGP-KGLIPLIRSA-N -1 1 385.476 0.474 20 0 GCADMM CCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736504481 598564995 /nfs/dbraw/zinc/56/49/95/598564995.db2.gz DYVRDBXZUYYBBQ-LBPRGKRZSA-N -1 1 383.412 0.717 20 0 GCADMM COC(=O)c1ncn(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)n1 ZINC000736957842 598565812 /nfs/dbraw/zinc/56/58/12/598565812.db2.gz VDBGSECNAJOFEP-UHFFFAOYSA-N -1 1 394.355 0.069 20 0 GCADMM COC(=O)c1ncn(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)n1 ZINC000736957842 598565814 /nfs/dbraw/zinc/56/58/14/598565814.db2.gz VDBGSECNAJOFEP-UHFFFAOYSA-N -1 1 394.355 0.069 20 0 GCADMM NC(=O)CNC(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737754400 598575607 /nfs/dbraw/zinc/57/56/07/598575607.db2.gz TXOPNGZEWLLGHY-UHFFFAOYSA-N -1 1 386.803 0.742 20 0 GCADMM NC(=O)CNC(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737754400 598575608 /nfs/dbraw/zinc/57/56/08/598575608.db2.gz TXOPNGZEWLLGHY-UHFFFAOYSA-N -1 1 386.803 0.742 20 0 GCADMM CCOc1ccccc1[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)NC(C)=O ZINC000736654270 598618887 /nfs/dbraw/zinc/61/88/87/598618887.db2.gz IOFBDXVUBPWMSZ-CYBMUJFWSA-N -1 1 384.400 0.952 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCCN2CCOC2=O)cc1-c1nn[n-]n1 ZINC000737185745 598619196 /nfs/dbraw/zinc/61/91/96/598619196.db2.gz CBIYTTFPSNECTA-UHFFFAOYSA-N -1 1 379.402 0.261 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1=CC=NCC1=O ZINC000737486831 598623464 /nfs/dbraw/zinc/62/34/64/598623464.db2.gz FRQWEORWWVYHGJ-UHFFFAOYSA-N -1 1 379.384 0.620 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1=CC=NCC1=O ZINC000737486831 598623466 /nfs/dbraw/zinc/62/34/66/598623466.db2.gz FRQWEORWWVYHGJ-UHFFFAOYSA-N -1 1 379.384 0.620 20 0 GCADMM O=C([C@@H]1CCC(=O)N1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738303113 598625086 /nfs/dbraw/zinc/62/50/86/598625086.db2.gz DAAZSMWSXAWOAU-JTQLQIEISA-N -1 1 398.383 0.042 20 0 GCADMM O=S(=O)([N-]c1ccc(N2CCOCC2)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738343408 598638432 /nfs/dbraw/zinc/63/84/32/598638432.db2.gz YPAQCKKIHHRDQY-UHFFFAOYSA-N -1 1 387.425 0.899 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCc2cccc(C)c2)c1 ZINC000736939573 598641086 /nfs/dbraw/zinc/64/10/86/598641086.db2.gz IFBBSBBTOTVUTE-UHFFFAOYSA-N -1 1 382.380 0.440 20 0 GCADMM CCc1nn(CCCn2cnc3c2ncnc3N)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705389 598641559 /nfs/dbraw/zinc/64/15/59/598641559.db2.gz HJWNWRDNLSUZAA-UHFFFAOYSA-N -1 1 395.431 0.360 20 0 GCADMM CCc1nn(CC(=O)NC(=O)NC2CCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706895 598642642 /nfs/dbraw/zinc/64/26/42/598642642.db2.gz ZTFNNMLAPKECQH-UHFFFAOYSA-N -1 1 388.432 0.317 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1cccc(N2CCCC2=O)c1 ZINC000737986214 598676810 /nfs/dbraw/zinc/67/68/10/598676810.db2.gz DXMXOWIQDPGJBV-UHFFFAOYSA-N -1 1 379.380 0.794 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(Cc3ccccc3F)CC2)n(C)c1=O ZINC000737592485 598681658 /nfs/dbraw/zinc/68/16/58/598681658.db2.gz PEZKVAHQGYJWDB-UHFFFAOYSA-N -1 1 399.430 0.862 20 0 GCADMM CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736745800 598686971 /nfs/dbraw/zinc/68/69/71/598686971.db2.gz JGWFCVHQMURFGQ-UHFFFAOYSA-N -1 1 382.421 0.495 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000737546232 598690063 /nfs/dbraw/zinc/69/00/63/598690063.db2.gz BFZSFLYRZSHMKO-SNVBAGLBSA-N -1 1 396.371 0.286 20 0 GCADMM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000738321032 598692039 /nfs/dbraw/zinc/69/20/39/598692039.db2.gz VHXSLXIORJFFSA-JTQLQIEISA-N -1 1 395.420 0.184 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCCS(=O)(=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737548324 598708158 /nfs/dbraw/zinc/70/81/58/598708158.db2.gz OEOMADBHLQTYIT-JTQLQIEISA-N -1 1 382.446 0.524 20 0 GCADMM CC[C@@H](C)[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)C(=O)OC ZINC000736328861 598719508 /nfs/dbraw/zinc/71/95/08/598719508.db2.gz IJAYYGKKKGAOHN-BDJLRTHQSA-N -1 1 398.423 0.886 20 0 GCADMM O=S(=O)(N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000738332219 598756581 /nfs/dbraw/zinc/75/65/81/598756581.db2.gz YYIFJBIWGGMNPJ-UHFFFAOYSA-N -1 1 392.367 0.630 20 0 GCADMM O=S(=O)(N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000738332219 598756583 /nfs/dbraw/zinc/75/65/83/598756583.db2.gz YYIFJBIWGGMNPJ-UHFFFAOYSA-N -1 1 392.367 0.630 20 0 GCADMM O=C1CCCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738302927 598777672 /nfs/dbraw/zinc/77/76/72/598777672.db2.gz OXGKCXDHPFJZPW-LBPRGKRZSA-N -1 1 391.457 0.427 20 0 GCADMM O=C1CCCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738302927 598777674 /nfs/dbraw/zinc/77/76/74/598777674.db2.gz OXGKCXDHPFJZPW-LBPRGKRZSA-N -1 1 391.457 0.427 20 0 GCADMM COC[C@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736967948 598779325 /nfs/dbraw/zinc/77/93/25/598779325.db2.gz OBFPCGOIUHKVGZ-NSHDSACASA-N -1 1 385.384 0.817 20 0 GCADMM COC[C@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736967948 598779327 /nfs/dbraw/zinc/77/93/27/598779327.db2.gz OBFPCGOIUHKVGZ-NSHDSACASA-N -1 1 385.384 0.817 20 0 GCADMM COc1c(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c(C)nn1C ZINC000737023730 598779801 /nfs/dbraw/zinc/77/98/01/598779801.db2.gz MWGMJHULLSRAOI-UHFFFAOYSA-N -1 1 389.372 0.923 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCC[S@](=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000737186079 598779930 /nfs/dbraw/zinc/77/99/30/598779930.db2.gz FZBQVNTVRISZDX-VWLOTQADSA-N -1 1 384.487 0.966 20 0 GCADMM Cn1ncc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Br)c1=O ZINC000737621536 598794405 /nfs/dbraw/zinc/79/44/05/598794405.db2.gz ITVSLVDHSKXGFV-UHFFFAOYSA-N -1 1 395.225 0.073 20 0 GCADMM Cn1ncc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Br)c1=O ZINC000737621536 598794407 /nfs/dbraw/zinc/79/44/07/598794407.db2.gz ITVSLVDHSKXGFV-UHFFFAOYSA-N -1 1 395.225 0.073 20 0 GCADMM COc1ccccc1OCCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737151553 598796211 /nfs/dbraw/zinc/79/62/11/598796211.db2.gz GTDXLWHZQAVNIE-UHFFFAOYSA-N -1 1 387.400 0.154 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000737201434 598807793 /nfs/dbraw/zinc/80/77/93/598807793.db2.gz SAUIMZBPMKNPML-OAHLLOKOSA-N -1 1 387.444 0.500 20 0 GCADMM NC(=O)C1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CC1 ZINC000737739847 598808794 /nfs/dbraw/zinc/80/87/94/598808794.db2.gz RFQPAPRXRLVBDG-UHFFFAOYSA-N -1 1 398.383 0.029 20 0 GCADMM C[C@@H](c1cc(F)ccc1F)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736198377 598814753 /nfs/dbraw/zinc/81/47/53/598814753.db2.gz SNEJUDQTXSMANL-QMMMGPOBSA-N -1 1 377.355 0.740 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CCCO[C@@H]2C(C)(C)C)n(C)c1=O ZINC000737597161 599305291 /nfs/dbraw/zinc/30/52/91/599305291.db2.gz QRGSQVMTJKNTHA-PWSUYJOCSA-N -1 1 377.449 0.517 20 0 GCADMM CCS(=O)(=O)CCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736655733 599310285 /nfs/dbraw/zinc/31/02/85/599310285.db2.gz FNVAYHWGGIAWQT-UHFFFAOYSA-N -1 1 381.462 0.289 20 0 GCADMM O=C1CC2(CCC2)N1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823519873 599328130 /nfs/dbraw/zinc/32/81/30/599328130.db2.gz JNBTXFFMMIUXIK-UHFFFAOYSA-N -1 1 384.444 0.967 20 0 GCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000736939458 599339739 /nfs/dbraw/zinc/33/97/39/599339739.db2.gz HODNOZBHCXYVES-CYBMUJFWSA-N -1 1 396.363 0.840 20 0 GCADMM Cc1nc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)no1 ZINC000737477252 599343517 /nfs/dbraw/zinc/34/35/17/599343517.db2.gz LUWJAEHXJZBPKN-UHFFFAOYSA-N -1 1 382.388 0.467 20 0 GCADMM Cc1nc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)no1 ZINC000737477252 599343519 /nfs/dbraw/zinc/34/35/19/599343519.db2.gz LUWJAEHXJZBPKN-UHFFFAOYSA-N -1 1 382.388 0.467 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)Nc2nc(C(N)=O)cs2)cc1-c1nn[n-]n1 ZINC000821979796 599353120 /nfs/dbraw/zinc/35/31/20/599353120.db2.gz XUJJEOHNBAWJAO-UHFFFAOYSA-N -1 1 378.399 0.497 20 0 GCADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000736226249 599398754 /nfs/dbraw/zinc/39/87/54/599398754.db2.gz WBVCALIQDMVEDI-GASCZTMLSA-N -1 1 384.488 0.888 20 0 GCADMM c1cc(-c2nnn[n-]2)nc(N2CCN(Cc3nnc4n3CCCCC4)CC2)c1 ZINC000738412633 599402451 /nfs/dbraw/zinc/40/24/51/599402451.db2.gz JNQYDVXUJFFGLP-UHFFFAOYSA-N -1 1 380.460 0.902 20 0 GCADMM c1cc(-c2nn[n-]n2)nc(N2CCN(Cc3nnc4n3CCCCC4)CC2)c1 ZINC000738412633 599402454 /nfs/dbraw/zinc/40/24/54/599402454.db2.gz JNQYDVXUJFFGLP-UHFFFAOYSA-N -1 1 380.460 0.902 20 0 GCADMM COCCNS(=O)(=O)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737007151 599412068 /nfs/dbraw/zinc/41/20/68/599412068.db2.gz QUQYPOQBEUOZLD-UHFFFAOYSA-N -1 1 389.441 0.799 20 0 GCADMM COCCNS(=O)(=O)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737007151 599412070 /nfs/dbraw/zinc/41/20/70/599412070.db2.gz QUQYPOQBEUOZLD-UHFFFAOYSA-N -1 1 389.441 0.799 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)c2ccco2)cc1-c1nn[n-]n1 ZINC000821979685 599450516 /nfs/dbraw/zinc/45/05/16/599450516.db2.gz UVWCOKOPXWUTCT-HNNXBMFYSA-N -1 1 376.398 0.920 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](Cc3ccc(F)cc3)C2)n(C)c1=O ZINC000737591524 599473074 /nfs/dbraw/zinc/47/30/74/599473074.db2.gz LFTRRUACBPMXJW-LBPRGKRZSA-N -1 1 385.403 0.472 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@](C)(O)C1CC1 ZINC000822459537 599489286 /nfs/dbraw/zinc/48/92/86/599489286.db2.gz RCVFQCVEIHCHQI-SFHVURJKSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@](C)(O)C1CC1 ZINC000822459537 599489289 /nfs/dbraw/zinc/48/92/89/599489289.db2.gz RCVFQCVEIHCHQI-SFHVURJKSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1ccccc1[C@H]1C[C@@H](C)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000737424108 599529275 /nfs/dbraw/zinc/52/92/75/599529275.db2.gz RSSKIOWLCNFAEU-OLZOCXBDSA-N -1 1 381.440 0.955 20 0 GCADMM C[C@@H]1COCCN1c1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000736292155 599535139 /nfs/dbraw/zinc/53/51/39/599535139.db2.gz HAHGCPISZJIJGV-LLVKDONJSA-N -1 1 398.427 0.233 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCS(=O)(=O)[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737550715 599586445 /nfs/dbraw/zinc/58/64/45/599586445.db2.gz BWCGQIQLJRCMGI-SCZZXKLOSA-N -1 1 382.446 0.522 20 0 GCADMM O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1sccc1-c1nn[n-]n1 ZINC000823405165 599659883 /nfs/dbraw/zinc/65/98/83/599659883.db2.gz JXMZPOLSNBWBAQ-UHFFFAOYSA-N -1 1 376.398 0.950 20 0 GCADMM CC(C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819983920 599682617 /nfs/dbraw/zinc/68/26/17/599682617.db2.gz KFNFEEGENKTASE-UHFFFAOYSA-N -1 1 397.461 0.843 20 0 GCADMM CC(C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819983920 599682618 /nfs/dbraw/zinc/68/26/18/599682618.db2.gz KFNFEEGENKTASE-UHFFFAOYSA-N -1 1 397.461 0.843 20 0 GCADMM COC(=O)c1cc(NC(=O)CN2C[C@H](C(N)=O)CC[C@H]2C)cc(C(=O)[O-])c1 ZINC000737664272 599712134 /nfs/dbraw/zinc/71/21/34/599712134.db2.gz ASDRBDRLVFNQBE-GHMZBOCLSA-N -1 1 377.397 0.696 20 0 GCADMM Cn1cc(C(=O)NCC2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)cn1 ZINC000738404481 599714120 /nfs/dbraw/zinc/71/41/20/599714120.db2.gz XSLBMAOTSKXKQV-UHFFFAOYSA-N -1 1 391.472 0.185 20 0 GCADMM CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(=O)[O-])o3)cn2)CC1 ZINC000737123349 599770901 /nfs/dbraw/zinc/77/09/01/599770901.db2.gz TVGISSHVZOSSRL-UHFFFAOYSA-N -1 1 394.453 0.993 20 0 GCADMM CN1CCN(c2cc(CNS(=O)(=O)c3ccc(C(=O)[O-])o3)ccn2)CC1 ZINC000737528322 599770913 /nfs/dbraw/zinc/77/09/13/599770913.db2.gz DRBWTMWLZRJYOV-UHFFFAOYSA-N -1 1 380.426 0.603 20 0 GCADMM O=C([O-])CNC(=O)c1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000739812364 599837534 /nfs/dbraw/zinc/83/75/34/599837534.db2.gz HUZQRRSCEZWWDO-CVEARBPZSA-N -1 1 390.440 0.564 20 0 GCADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000736369074 599918227 /nfs/dbraw/zinc/91/82/27/599918227.db2.gz PRGMGVZNEMQCGU-HNNXBMFYSA-N -1 1 378.477 0.787 20 0 GCADMM CC[C@@](C)(COc1ncccc1Cl)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820854469 607408160 /nfs/dbraw/zinc/40/81/60/607408160.db2.gz VJFZGBOYCUZSRD-HNNXBMFYSA-N -1 1 391.823 0.871 20 0 GCADMM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@H]1CCCN(Cc2noc(C)n2)C1)C(=O)[O-] ZINC000736873894 599962166 /nfs/dbraw/zinc/96/21/66/599962166.db2.gz CCFGYHNXGBZLEG-RVSPLBMKSA-N -1 1 381.477 0.890 20 0 GCADMM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@@H]1CCCN(Cc2noc(C)n2)C1)C(=O)[O-] ZINC000736873883 599962530 /nfs/dbraw/zinc/96/25/30/599962530.db2.gz CCFGYHNXGBZLEG-DXCKQFNASA-N -1 1 381.477 0.890 20 0 GCADMM 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/nfs/dbraw/zinc/53/20/06/607532006.db2.gz YRVPEJCHEPBLOQ-NWDGAFQWSA-N -1 1 389.489 0.078 20 0 GCADMM CC(C)[C@H](O)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000824206613 607554477 /nfs/dbraw/zinc/55/44/77/607554477.db2.gz GBYFJFSHERSCGO-CQSZACIVSA-N -1 1 399.411 0.941 20 0 GCADMM CC(C)[C@H](O)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824206613 607554478 /nfs/dbraw/zinc/55/44/78/607554478.db2.gz GBYFJFSHERSCGO-CQSZACIVSA-N -1 1 399.411 0.941 20 0 GCADMM COc1cccc(-c2cc(C(=O)N(CCN3CCOCC3)CC(=O)[O-])n[nH]2)c1 ZINC000832510429 602251562 /nfs/dbraw/zinc/25/15/62/602251562.db2.gz MBYOWMIGAUPHBP-UHFFFAOYSA-N -1 1 388.424 0.944 20 0 GCADMM CS(=O)(=O)c1ccc(-n2nnnc2CNC2(CC(=O)[O-])CCOCC2)cc1 ZINC000832716425 602256277 /nfs/dbraw/zinc/25/62/77/602256277.db2.gz LWMRUPVUNOKGED-UHFFFAOYSA-N -1 1 395.441 0.179 20 0 GCADMM CNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000826083068 607556428 /nfs/dbraw/zinc/55/64/28/607556428.db2.gz HVDKEHYPQJCBKG-ONGXEEELSA-N -1 1 397.461 0.027 20 0 GCADMM CN(CC(=O)N(C)c1ccccc1C(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000830478820 602349740 /nfs/dbraw/zinc/34/97/40/602349740.db2.gz XARSZYHTUFOBHP-UHFFFAOYSA-N -1 1 383.470 0.703 20 0 GCADMM CCOC(=O)N1CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825517817 607578552 /nfs/dbraw/zinc/57/85/52/607578552.db2.gz NSLXHGYETCSQLP-UHFFFAOYSA-N -1 1 398.420 0.905 20 0 GCADMM CCOC(=O)N1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825517817 607578554 /nfs/dbraw/zinc/57/85/54/607578554.db2.gz NSLXHGYETCSQLP-UHFFFAOYSA-N -1 1 398.420 0.905 20 0 GCADMM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825838608 607580429 /nfs/dbraw/zinc/58/04/29/607580429.db2.gz BABVMFYPHZLPCW-NSHDSACASA-N -1 1 384.849 0.761 20 0 GCADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)N1CCOCC1 ZINC000824428449 607584417 /nfs/dbraw/zinc/58/44/17/607584417.db2.gz RYVJBMSZWVJYID-SNVBAGLBSA-N -1 1 386.865 0.519 20 0 GCADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)N1CCOCC1 ZINC000824428449 607584419 /nfs/dbraw/zinc/58/44/19/607584419.db2.gz RYVJBMSZWVJYID-SNVBAGLBSA-N -1 1 386.865 0.519 20 0 GCADMM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826060918 607585451 /nfs/dbraw/zinc/58/54/51/607585451.db2.gz WQPVKLMZFVWKKI-NSHDSACASA-N -1 1 384.849 0.809 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)N1CCCCC1 ZINC000826412793 607589210 /nfs/dbraw/zinc/58/92/10/607589210.db2.gz DEBWYPWUBLWFMT-UHFFFAOYSA-N -1 1 384.849 0.811 20 0 GCADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)N1CCCCC1 ZINC000826412793 607589212 /nfs/dbraw/zinc/58/92/12/607589212.db2.gz DEBWYPWUBLWFMT-UHFFFAOYSA-N -1 1 384.849 0.811 20 0 GCADMM O=C(CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)NC1CC1 ZINC000826405978 607589668 /nfs/dbraw/zinc/58/96/68/607589668.db2.gz BROYZNILIXYGBT-UHFFFAOYSA-N -1 1 384.849 0.857 20 0 GCADMM O=C(CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)NC1CC1 ZINC000826405978 607589669 /nfs/dbraw/zinc/58/96/69/607589669.db2.gz BROYZNILIXYGBT-UHFFFAOYSA-N -1 1 384.849 0.857 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccnc1 ZINC000826437411 607589825 /nfs/dbraw/zinc/58/98/25/607589825.db2.gz KJTPAXLPOFMIOJ-UHFFFAOYSA-N -1 1 391.388 0.109 20 0 GCADMM O=C(NCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccnc1 ZINC000826437411 607589827 /nfs/dbraw/zinc/58/98/27/607589827.db2.gz KJTPAXLPOFMIOJ-UHFFFAOYSA-N -1 1 391.388 0.109 20 0 GCADMM Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826292942 607594435 /nfs/dbraw/zinc/59/44/35/607594435.db2.gz UAYWHTRUEXTNON-UHFFFAOYSA-N -1 1 388.409 0.592 20 0 GCADMM Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826292942 607594436 /nfs/dbraw/zinc/59/44/36/607594436.db2.gz UAYWHTRUEXTNON-UHFFFAOYSA-N -1 1 388.409 0.592 20 0 GCADMM O=C(CNS(=O)(=O)c1cccs1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826413103 607601332 /nfs/dbraw/zinc/60/13/32/607601332.db2.gz RCNNROMQFAKXTC-UHFFFAOYSA-N -1 1 380.411 0.345 20 0 GCADMM O=C(CNS(=O)(=O)c1cccs1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826413103 607601333 /nfs/dbraw/zinc/60/13/33/607601333.db2.gz RCNNROMQFAKXTC-UHFFFAOYSA-N -1 1 380.411 0.345 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCC[C@H]1C1OCCO1 ZINC000826495766 607604263 /nfs/dbraw/zinc/60/42/63/607604263.db2.gz AQHGKZPWBHMWDB-NSHDSACASA-N -1 1 383.405 0.922 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCC[C@H]1C1OCCO1 ZINC000826495766 607604264 /nfs/dbraw/zinc/60/42/64/607604264.db2.gz AQHGKZPWBHMWDB-NSHDSACASA-N -1 1 383.405 0.922 20 0 GCADMM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826328891 607605416 /nfs/dbraw/zinc/60/54/16/607605416.db2.gz IRQUZIFKIJLMOT-VIFPVBQESA-N -1 1 394.848 0.713 20 0 GCADMM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826328891 607605418 /nfs/dbraw/zinc/60/54/18/607605418.db2.gz IRQUZIFKIJLMOT-VIFPVBQESA-N -1 1 394.848 0.713 20 0 GCADMM CC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823975369 607609387 /nfs/dbraw/zinc/60/93/87/607609387.db2.gz XQITURGBJOOFOD-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000826479435 607609780 /nfs/dbraw/zinc/60/97/80/607609780.db2.gz YKJHDCVECONSAT-CQSZACIVSA-N -1 1 392.375 0.824 20 0 GCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000826479435 607609782 /nfs/dbraw/zinc/60/97/82/607609782.db2.gz YKJHDCVECONSAT-CQSZACIVSA-N -1 1 392.375 0.824 20 0 GCADMM CCS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(N)c1 ZINC000825668865 607613427 /nfs/dbraw/zinc/61/34/27/607613427.db2.gz LJMFNNWHNPQOFZ-UHFFFAOYSA-N -1 1 388.409 0.995 20 0 GCADMM CCS(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(N)c1 ZINC000825668865 607613428 /nfs/dbraw/zinc/61/34/28/607613428.db2.gz LJMFNNWHNPQOFZ-UHFFFAOYSA-N -1 1 388.409 0.995 20 0 GCADMM CN(CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC(F)(F)F ZINC000825941159 607613717 /nfs/dbraw/zinc/61/37/17/607613717.db2.gz BJLQFBKUKNUIRA-UHFFFAOYSA-N -1 1 382.343 0.778 20 0 GCADMM CN(CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC(F)(F)F ZINC000825941159 607613718 /nfs/dbraw/zinc/61/37/18/607613718.db2.gz BJLQFBKUKNUIRA-UHFFFAOYSA-N -1 1 382.343 0.778 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000826341095 607615917 /nfs/dbraw/zinc/61/59/17/607615917.db2.gz WMWAJDRFQSCECI-CYBMUJFWSA-N -1 1 382.428 0.288 20 0 GCADMM CCN1CCO[C@@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000825466262 607616634 /nfs/dbraw/zinc/61/66/34/607616634.db2.gz YISWISLCVGVFFB-JTQLQIEISA-N -1 1 386.865 0.519 20 0 GCADMM CCN1CCO[C@@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000825466262 607616635 /nfs/dbraw/zinc/61/66/35/607616635.db2.gz YISWISLCVGVFFB-JTQLQIEISA-N -1 1 386.865 0.519 20 0 GCADMM CN1CCN(c2ncccc2CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737530882 603255081 /nfs/dbraw/zinc/25/50/81/603255081.db2.gz YJNWQRMGELECGO-OAHLLOKOSA-N -1 1 376.461 0.775 20 0 GCADMM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824859189 607619902 /nfs/dbraw/zinc/61/99/02/607619902.db2.gz NUUXQEHHMVJMCR-IUCAKERBSA-N -1 1 389.434 0.202 20 0 GCADMM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826300420 607629638 /nfs/dbraw/zinc/62/96/38/607629638.db2.gz UPWMVRSJBONFBX-LBPRGKRZSA-N -1 1 390.425 0.288 20 0 GCADMM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826300420 607629639 /nfs/dbraw/zinc/62/96/39/607629639.db2.gz UPWMVRSJBONFBX-LBPRGKRZSA-N -1 1 390.425 0.288 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NCC2(CO)COC2)c1-c1nn[n-]n1 ZINC000826231564 607632523 /nfs/dbraw/zinc/63/25/23/607632523.db2.gz PVJRJWUVDWJOLC-UHFFFAOYSA-N -1 1 376.442 0.600 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000826494601 607634179 /nfs/dbraw/zinc/63/41/79/607634179.db2.gz JEAKYWIYRMDHTE-VHSXEESVSA-N -1 1 378.336 0.338 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000826494601 607634181 /nfs/dbraw/zinc/63/41/81/607634181.db2.gz JEAKYWIYRMDHTE-VHSXEESVSA-N -1 1 378.336 0.338 20 0 GCADMM O=S(=O)(NC[C@]1(O)CCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489871 607634386 /nfs/dbraw/zinc/63/43/86/607634386.db2.gz CAJKDQREJKWXGP-QGZVFWFLSA-N -1 1 386.437 0.764 20 0 GCADMM O=S(=O)(NC[C@]1(O)CCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489871 607634388 /nfs/dbraw/zinc/63/43/88/607634388.db2.gz CAJKDQREJKWXGP-QGZVFWFLSA-N -1 1 386.437 0.764 20 0 GCADMM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825011994 607639839 /nfs/dbraw/zinc/63/98/39/607639839.db2.gz BZLQKAWJOMETJY-MRVPVSSYSA-N -1 1 391.862 0.328 20 0 GCADMM O=S(=O)(NCCCOC[C@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490614 607641405 /nfs/dbraw/zinc/64/14/05/607641405.db2.gz BIPHKKFUPOMKDH-LLVKDONJSA-N -1 1 385.421 0.727 20 0 GCADMM O=S(=O)(NCCCOC[C@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490614 607641406 /nfs/dbraw/zinc/64/14/06/607641406.db2.gz BIPHKKFUPOMKDH-LLVKDONJSA-N -1 1 385.421 0.727 20 0 GCADMM C[C@@H](Oc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1)C(N)=O ZINC000824738742 607646534 /nfs/dbraw/zinc/64/65/34/607646534.db2.gz QYFFNVBXXZKGHO-SNVBAGLBSA-N -1 1 389.393 0.887 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](n2cncn2)C1 ZINC000826495513 607657080 /nfs/dbraw/zinc/65/70/80/607657080.db2.gz RVYZOGJRNGNFSM-NSHDSACASA-N -1 1 378.393 0.623 20 0 GCADMM CC(C)(C)N1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1=O ZINC000824092853 607658975 /nfs/dbraw/zinc/65/89/75/607658975.db2.gz ATEAEQIUSLYRQB-SECBINFHSA-N -1 1 382.421 0.684 20 0 GCADMM CC(C)(C)N1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1=O ZINC000824092853 607658977 /nfs/dbraw/zinc/65/89/77/607658977.db2.gz ATEAEQIUSLYRQB-SECBINFHSA-N -1 1 382.421 0.684 20 0 GCADMM NC(=O)NC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826391883 607661046 /nfs/dbraw/zinc/66/10/46/607661046.db2.gz FQKNELGWDUXKAK-UHFFFAOYSA-N -1 1 385.837 0.342 20 0 GCADMM NC(=O)NC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826391883 607661048 /nfs/dbraw/zinc/66/10/48/607661048.db2.gz FQKNELGWDUXKAK-UHFFFAOYSA-N -1 1 385.837 0.342 20 0 GCADMM CC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000824158052 607661751 /nfs/dbraw/zinc/66/17/51/607661751.db2.gz QBRKRYQAKIOGFV-UHFFFAOYSA-N -1 1 393.878 0.622 20 0 GCADMM CC(C)(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000824158052 607661753 /nfs/dbraw/zinc/66/17/53/607661753.db2.gz QBRKRYQAKIOGFV-UHFFFAOYSA-N -1 1 393.878 0.622 20 0 GCADMM C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)N(C)C ZINC000826231806 607664528 /nfs/dbraw/zinc/66/45/28/607664528.db2.gz AABXOSNCJGPFTA-SSDOTTSWSA-N -1 1 392.363 0.641 20 0 GCADMM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826053813 607665325 /nfs/dbraw/zinc/66/53/25/607665325.db2.gz ZYDIQAMNSDVYSB-ZCFIWIBFSA-N -1 1 378.336 0.298 20 0 GCADMM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826328729 607666077 /nfs/dbraw/zinc/66/60/77/607666077.db2.gz AQDCZKLPUWWCKA-NSHDSACASA-N -1 1 378.393 0.719 20 0 GCADMM COc1cccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000826216061 607668017 /nfs/dbraw/zinc/66/80/17/607668017.db2.gz IVAXIFDTBSTMFT-UHFFFAOYSA-N -1 1 378.389 0.930 20 0 GCADMM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826389997 607671563 /nfs/dbraw/zinc/67/15/63/607671563.db2.gz NKNUCRQVCMGKKC-PWSUYJOCSA-N -1 1 382.421 0.718 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]2CCCC[C@@H]2N1 ZINC000826481120 607671592 /nfs/dbraw/zinc/67/15/92/607671592.db2.gz IHOAJDADJGWPDG-RYUDHWBXSA-N -1 1 380.405 0.438 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000826494594 607675953 /nfs/dbraw/zinc/67/59/53/607675953.db2.gz JBXHHSFYTIKIPA-OAHLLOKOSA-N -1 1 388.409 0.730 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000826494594 607675955 /nfs/dbraw/zinc/67/59/55/607675955.db2.gz JBXHHSFYTIKIPA-OAHLLOKOSA-N -1 1 388.409 0.730 20 0 GCADMM O=S(=O)(NCC1(CO)COC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490397 607678692 /nfs/dbraw/zinc/67/86/92/607678692.db2.gz UIYFBRUQKUYIOG-UHFFFAOYSA-N -1 1 393.347 0.173 20 0 GCADMM O=S(=O)(NCCOc1ncccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491746 607679418 /nfs/dbraw/zinc/67/94/18/607679418.db2.gz YSUKURVOKQGUMY-UHFFFAOYSA-N -1 1 382.352 0.897 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)Cc2ccccc2C(F)(F)F)c1=O ZINC000826356367 607687801 /nfs/dbraw/zinc/68/78/01/607687801.db2.gz NLMDGHDQRVCLAJ-SNVBAGLBSA-N -1 1 396.329 0.350 20 0 GCADMM CC(C)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1nc(-c2nc[nH]n2)no1 ZINC000833472583 604460091 /nfs/dbraw/zinc/46/00/91/604460091.db2.gz ZXKLBCPNFLZHIM-SECBINFHSA-N -1 1 382.358 0.822 20 0 GCADMM COC(=O)C1CCN(CCCNS(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC000833710582 604507495 /nfs/dbraw/zinc/50/74/95/604507495.db2.gz WWGJZKACWNPCHD-UHFFFAOYSA-N -1 1 388.442 0.840 20 0 GCADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)cn1 ZINC000833781443 604692336 /nfs/dbraw/zinc/69/23/36/604692336.db2.gz FEGTUWRAGVAQAS-UHFFFAOYSA-N -1 1 383.470 0.903 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC[C@@H]1N1CCN(C)CC1 ZINC000833631830 604701534 /nfs/dbraw/zinc/70/15/34/604701534.db2.gz SJQNERIOGPPDQV-CJNGLKHVSA-N 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YRYKBSRHFBQBRI-VIFPVBQESA-N -1 1 399.454 0.121 20 0 GCADMM CCN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000821155389 606139035 /nfs/dbraw/zinc/13/90/35/606139035.db2.gz YRYKBSRHFBQBRI-VIFPVBQESA-N -1 1 399.454 0.121 20 0 GCADMM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000822864692 606145593 /nfs/dbraw/zinc/14/55/93/606145593.db2.gz IJOSILYPPINION-VIFPVBQESA-N -1 1 384.849 0.796 20 0 GCADMM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000822864656 606145756 /nfs/dbraw/zinc/14/57/56/606145756.db2.gz HKMDJXAYWZFAGW-SECBINFHSA-N -1 1 384.849 0.796 20 0 GCADMM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000822864656 606145758 /nfs/dbraw/zinc/14/57/58/606145758.db2.gz HKMDJXAYWZFAGW-SECBINFHSA-N -1 1 384.849 0.796 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNC(=O)CC2CCCCC2)n1 ZINC000822613747 606155757 /nfs/dbraw/zinc/15/57/57/606155757.db2.gz GMVRKIFIEHBMGV-UHFFFAOYSA-N -1 1 375.437 0.808 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNC(=O)CC2CCCCC2)n1 ZINC000822613747 606155759 /nfs/dbraw/zinc/15/57/59/606155759.db2.gz GMVRKIFIEHBMGV-UHFFFAOYSA-N -1 1 375.437 0.808 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNC(=O)c2ccccc2Cl)n1 ZINC000822613181 606157838 /nfs/dbraw/zinc/15/78/38/606157838.db2.gz BSQQEYDFGHCUNI-UHFFFAOYSA-N -1 1 389.807 0.805 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNC(=O)c2ccccc2Cl)n1 ZINC000822613181 606157840 /nfs/dbraw/zinc/15/78/40/606157840.db2.gz BSQQEYDFGHCUNI-UHFFFAOYSA-N -1 1 389.807 0.805 20 0 GCADMM O=C(NCc1ccon1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823265873 606158725 /nfs/dbraw/zinc/15/87/25/606158725.db2.gz IJVMCYOHKBFEFX-UHFFFAOYSA-N -1 1 385.388 0.752 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCn3c(nnc3-c3ccccc3)C2)n1 ZINC000822609883 606159305 /nfs/dbraw/zinc/15/93/05/606159305.db2.gz XZWYRIBTSCRMFT-UHFFFAOYSA-N -1 1 391.399 0.906 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCn3c(nnc3-c3ccccc3)C2)n1 ZINC000822609883 606159308 /nfs/dbraw/zinc/15/93/08/606159308.db2.gz XZWYRIBTSCRMFT-UHFFFAOYSA-N -1 1 391.399 0.906 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)n1 ZINC000822613097 606159684 /nfs/dbraw/zinc/15/96/84/606159684.db2.gz AJEWRGPSKQVRLE-SNVBAGLBSA-N -1 1 396.415 0.100 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)n1 ZINC000822613097 606159686 /nfs/dbraw/zinc/15/96/86/606159686.db2.gz AJEWRGPSKQVRLE-SNVBAGLBSA-N -1 1 396.415 0.100 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)COc2ccc(F)cc2)n1 ZINC000822614890 606159825 /nfs/dbraw/zinc/15/98/25/606159825.db2.gz WFUBRJKWMLUUOB-SNVBAGLBSA-N -1 1 376.352 0.301 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)COc2ccc(F)cc2)n1 ZINC000822614890 606159826 /nfs/dbraw/zinc/15/98/26/606159826.db2.gz WFUBRJKWMLUUOB-SNVBAGLBSA-N -1 1 376.352 0.301 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)n1 ZINC000822604380 606162788 /nfs/dbraw/zinc/16/27/88/606162788.db2.gz DSGUDQYTZHSEQU-UHFFFAOYSA-N -1 1 381.400 0.896 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)n1 ZINC000822604380 606162789 /nfs/dbraw/zinc/16/27/89/606162789.db2.gz DSGUDQYTZHSEQU-UHFFFAOYSA-N -1 1 381.400 0.896 20 0 GCADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)n1 ZINC000821712791 606163262 /nfs/dbraw/zinc/16/32/62/606163262.db2.gz MDIJTYXKBRVPDW-UHFFFAOYSA-N -1 1 396.820 0.933 20 0 GCADMM CN(Cc1nc2c(s1)CCCC2)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821616873 606164173 /nfs/dbraw/zinc/16/41/73/606164173.db2.gz LTMIQWIPFPZZCJ-UHFFFAOYSA-N -1 1 388.457 0.236 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC000822614298 606164396 /nfs/dbraw/zinc/16/43/96/606164396.db2.gz LRJCVFVVPQASQL-JTQLQIEISA-N -1 1 387.379 0.205 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n1 ZINC000822614298 606164398 /nfs/dbraw/zinc/16/43/98/606164398.db2.gz LRJCVFVVPQASQL-JTQLQIEISA-N -1 1 387.379 0.205 20 0 GCADMM C[C@@H](c1cccnc1)N1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820570910 606165180 /nfs/dbraw/zinc/16/51/80/606165180.db2.gz TYURWCBQGUDIKX-LBPRGKRZSA-N -1 1 382.432 0.906 20 0 GCADMM CC(C)COC(=O)N1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820097727 606166127 /nfs/dbraw/zinc/16/61/27/606166127.db2.gz SOYBOKZJRBRENV-UHFFFAOYSA-N -1 1 391.436 0.932 20 0 GCADMM CC(C)COC(=O)N1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820097727 606166129 /nfs/dbraw/zinc/16/61/29/606166129.db2.gz SOYBOKZJRBRENV-UHFFFAOYSA-N -1 1 391.436 0.932 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000822614292 606167663 /nfs/dbraw/zinc/16/76/63/606167663.db2.gz LMSPLFMVWRJKEY-LLVKDONJSA-N -1 1 385.363 0.666 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000822614292 606167664 /nfs/dbraw/zinc/16/76/64/606167664.db2.gz LMSPLFMVWRJKEY-LLVKDONJSA-N -1 1 385.363 0.666 20 0 GCADMM C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C(=O)N1c1ccccc1 ZINC000820657084 606168297 /nfs/dbraw/zinc/16/82/97/606168297.db2.gz JEQWGNLCWDXYBU-GWCFXTLKSA-N -1 1 381.400 0.916 20 0 GCADMM C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C(=O)N1c1ccccc1 ZINC000820657084 606168298 /nfs/dbraw/zinc/16/82/98/606168298.db2.gz JEQWGNLCWDXYBU-GWCFXTLKSA-N -1 1 381.400 0.916 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2Cn2cncn2)n1 ZINC000822620454 606172336 /nfs/dbraw/zinc/17/23/36/606172336.db2.gz RDAOYBNKLMODQR-UHFFFAOYSA-N -1 1 379.388 0.562 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2Cn2cncn2)n1 ZINC000822620454 606172338 /nfs/dbraw/zinc/17/23/38/606172338.db2.gz RDAOYBNKLMODQR-UHFFFAOYSA-N -1 1 379.388 0.562 20 0 GCADMM Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000822491776 606172870 /nfs/dbraw/zinc/17/28/70/606172870.db2.gz FTYYANFVWKNOHM-UHFFFAOYSA-N -1 1 399.463 0.300 20 0 GCADMM Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000822491776 606172872 /nfs/dbraw/zinc/17/28/72/606172872.db2.gz FTYYANFVWKNOHM-UHFFFAOYSA-N -1 1 399.463 0.300 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCN1CCOCC1 ZINC000822004352 606183438 /nfs/dbraw/zinc/18/34/38/606183438.db2.gz FXTUYQXNQDECGS-UHFFFAOYSA-N -1 1 389.460 0.355 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](O)COCC1CC1 ZINC000822004262 606194006 /nfs/dbraw/zinc/19/40/06/606194006.db2.gz DHCJCWOFTAHQQW-ZDUSSCGKSA-N -1 1 390.444 0.420 20 0 GCADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000823387786 606211175 /nfs/dbraw/zinc/21/11/75/606211175.db2.gz XVVZTXDYLHQNGU-UHFFFAOYSA-N -1 1 391.365 0.837 20 0 GCADMM COc1ccccc1C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)C ZINC000821889959 606241940 /nfs/dbraw/zinc/24/19/40/606241940.db2.gz HZKCFEKHBRHNQW-ZDUSSCGKSA-N -1 1 399.455 0.952 20 0 GCADMM CNC(=O)Cc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cs1 ZINC000821634022 606329950 /nfs/dbraw/zinc/32/99/50/606329950.db2.gz OHDCEOANVGHTQB-UHFFFAOYSA-N -1 1 381.421 0.975 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823600343 606335287 /nfs/dbraw/zinc/33/52/87/606335287.db2.gz GJSSSDPCRLAIIL-GFCCVEGCSA-N -1 1 380.430 0.220 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823600343 606335288 /nfs/dbraw/zinc/33/52/88/606335288.db2.gz GJSSSDPCRLAIIL-GFCCVEGCSA-N -1 1 380.430 0.220 20 0 GCADMM CCN1C(=O)[C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCN2C1=O ZINC000821240080 606430606 /nfs/dbraw/zinc/43/06/06/606430606.db2.gz DUFIBTHPSLCOCD-GFCCVEGCSA-N -1 1 379.384 0.283 20 0 GCADMM CCN1C(=O)[C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCN2C1=O ZINC000821240080 606430608 /nfs/dbraw/zinc/43/06/08/606430608.db2.gz DUFIBTHPSLCOCD-GFCCVEGCSA-N -1 1 379.384 0.283 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](CC)CN1C(C)=O ZINC000820995625 606433304 /nfs/dbraw/zinc/43/33/04/606433304.db2.gz VDQLHMVMXRTYKD-CHWSQXEVSA-N -1 1 393.473 0.672 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](CC)CN1C(C)=O ZINC000820995625 606433305 /nfs/dbraw/zinc/43/33/05/606433305.db2.gz VDQLHMVMXRTYKD-CHWSQXEVSA-N -1 1 393.473 0.672 20 0 GCADMM CN(C)C(=O)c1cnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)c1 ZINC000821579664 606441832 /nfs/dbraw/zinc/44/18/32/606441832.db2.gz JYUMHPUSYLPDSV-UHFFFAOYSA-N -1 1 390.839 0.967 20 0 GCADMM Cc1noc(-c2ccc(N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)nc2)n1 ZINC000822519423 606444100 /nfs/dbraw/zinc/44/41/00/606444100.db2.gz GNQSHQLRROVSOY-UHFFFAOYSA-N -1 1 381.404 0.994 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@@H]2Cc2ccccc2)n(C)c1=O ZINC000822601203 606476432 /nfs/dbraw/zinc/47/64/32/606476432.db2.gz VMQMGKHYCMCTGO-CQSZACIVSA-N -1 1 381.440 0.866 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2SCCc3ccccc32)n(C)c1=O ZINC000822601431 606478035 /nfs/dbraw/zinc/47/80/35/606478035.db2.gz ZOYMZMWQMCUUMU-LBPRGKRZSA-N -1 1 385.453 0.707 20 0 GCADMM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821196548 606498543 /nfs/dbraw/zinc/49/85/43/606498543.db2.gz AEFVOTHRRWPMSU-UHFFFAOYSA-N -1 1 399.502 0.273 20 0 GCADMM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821196548 606498545 /nfs/dbraw/zinc/49/85/45/606498545.db2.gz AEFVOTHRRWPMSU-UHFFFAOYSA-N -1 1 399.502 0.273 20 0 GCADMM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819854905 606520872 /nfs/dbraw/zinc/52/08/72/606520872.db2.gz CWZOMYKHPYUVMS-SNVBAGLBSA-N -1 1 375.458 0.353 20 0 GCADMM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819854905 606520874 /nfs/dbraw/zinc/52/08/74/606520874.db2.gz CWZOMYKHPYUVMS-SNVBAGLBSA-N -1 1 375.458 0.353 20 0 GCADMM CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821636330 606521785 /nfs/dbraw/zinc/52/17/85/606521785.db2.gz NXHLRZGIIYHINB-UHFFFAOYSA-N -1 1 392.466 0.907 20 0 GCADMM CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821636330 606521788 /nfs/dbraw/zinc/52/17/88/606521788.db2.gz NXHLRZGIIYHINB-UHFFFAOYSA-N -1 1 392.466 0.907 20 0 GCADMM NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000822885704 606526999 /nfs/dbraw/zinc/52/69/99/606526999.db2.gz TWRRVZVYKWOOKG-UHFFFAOYSA-N -1 1 397.464 0.985 20 0 GCADMM NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000822885704 606527001 /nfs/dbraw/zinc/52/70/01/606527001.db2.gz TWRRVZVYKWOOKG-UHFFFAOYSA-N -1 1 397.464 0.985 20 0 GCADMM CCOc1ccc(N2C[C@H](C(=O)Nc3n[nH]cc3-c3nnn[n-]3)CC2=O)cc1 ZINC000821421909 606532111 /nfs/dbraw/zinc/53/21/11/606532111.db2.gz IGQNGQIQWRGXKO-SNVBAGLBSA-N -1 1 382.384 0.980 20 0 GCADMM CCOc1ccc(N2C[C@H](C(=O)Nc3n[nH]cc3-c3nn[n-]n3)CC2=O)cc1 ZINC000821421909 606532112 /nfs/dbraw/zinc/53/21/12/606532112.db2.gz IGQNGQIQWRGXKO-SNVBAGLBSA-N -1 1 382.384 0.980 20 0 GCADMM NS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822895416 606546028 /nfs/dbraw/zinc/54/60/28/606546028.db2.gz REWAHBXSKOXKSF-UHFFFAOYSA-N -1 1 378.439 0.647 20 0 GCADMM NS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822895416 606546029 /nfs/dbraw/zinc/54/60/29/606546029.db2.gz REWAHBXSKOXKSF-UHFFFAOYSA-N -1 1 378.439 0.647 20 0 GCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000822917146 606547886 /nfs/dbraw/zinc/54/78/86/606547886.db2.gz OKFXHZHIMFMWRX-NSHDSACASA-N -1 1 376.442 0.782 20 0 GCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000822917146 606547888 /nfs/dbraw/zinc/54/78/88/606547888.db2.gz OKFXHZHIMFMWRX-NSHDSACASA-N -1 1 376.442 0.782 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000822004451 606548720 /nfs/dbraw/zinc/54/87/20/606548720.db2.gz HOOAKWRCROWZNS-NSHDSACASA-N -1 1 385.428 0.396 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000822004450 606548880 /nfs/dbraw/zinc/54/88/80/606548880.db2.gz HOOAKWRCROWZNS-LLVKDONJSA-N -1 1 385.428 0.396 20 0 GCADMM CC(=O)N1CCN([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@H]2C)CC1 ZINC000819796760 606550524 /nfs/dbraw/zinc/55/05/24/606550524.db2.gz OJSQVBJWDFUTNB-DGCLKSJQSA-N -1 1 389.485 0.553 20 0 GCADMM CC[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@@H](CC)CN1C(C)=O ZINC000820989729 606579278 /nfs/dbraw/zinc/57/92/78/606579278.db2.gz ZQCKHUDJYMPQKZ-RYUDHWBXSA-N -1 1 375.437 0.853 20 0 GCADMM CC[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@@H](CC)CN1C(C)=O ZINC000820989729 606579279 /nfs/dbraw/zinc/57/92/79/606579279.db2.gz ZQCKHUDJYMPQKZ-RYUDHWBXSA-N -1 1 375.437 0.853 20 0 GCADMM CC[C@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(=O)OC ZINC000820913714 606582356 /nfs/dbraw/zinc/58/23/56/606582356.db2.gz JUPIJCXDBGFWBR-ZDUSSCGKSA-N -1 1 386.416 0.527 20 0 GCADMM CC[C@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(=O)OC ZINC000820913714 606582357 /nfs/dbraw/zinc/58/23/57/606582357.db2.gz JUPIJCXDBGFWBR-ZDUSSCGKSA-N -1 1 386.416 0.527 20 0 GCADMM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC000820770197 606584478 /nfs/dbraw/zinc/58/44/78/606584478.db2.gz ZLCUSHMXMXRLQK-AAEUAGOBSA-N -1 1 393.473 0.440 20 0 GCADMM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC000820770197 606584481 /nfs/dbraw/zinc/58/44/81/606584481.db2.gz ZLCUSHMXMXRLQK-AAEUAGOBSA-N -1 1 393.473 0.440 20 0 GCADMM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC000820770200 606584664 /nfs/dbraw/zinc/58/46/64/606584664.db2.gz ZLCUSHMXMXRLQK-YPMHNXCESA-N -1 1 393.473 0.440 20 0 GCADMM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC000820770200 606584666 /nfs/dbraw/zinc/58/46/66/606584666.db2.gz ZLCUSHMXMXRLQK-YPMHNXCESA-N -1 1 393.473 0.440 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1-c1nn[n-]n1 ZINC000821977312 606585307 /nfs/dbraw/zinc/58/53/07/606585307.db2.gz FOZJJHVWRWAWIY-MRVPVSSYSA-N -1 1 391.457 0.818 20 0 GCADMM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822880564 606591428 /nfs/dbraw/zinc/59/14/28/606591428.db2.gz SDSQCNWYVSBDGK-JTQLQIEISA-N -1 1 385.409 0.935 20 0 GCADMM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822880564 606591430 /nfs/dbraw/zinc/59/14/30/606591430.db2.gz SDSQCNWYVSBDGK-JTQLQIEISA-N -1 1 385.409 0.935 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820451557 606592232 /nfs/dbraw/zinc/59/22/32/606592232.db2.gz VVXTUMWWZDERFY-ISTVAULSSA-N -1 1 383.412 0.629 20 0 GCADMM CNC(=O)N1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000821634149 606614270 /nfs/dbraw/zinc/61/42/70/606614270.db2.gz TZGSYKDHYIABCU-SNVBAGLBSA-N -1 1 376.421 0.361 20 0 GCADMM Cc1nc2ncnn2c(C)c1CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822467513 606652166 /nfs/dbraw/zinc/65/21/66/606652166.db2.gz ONPXPLJSSXHSTQ-UHFFFAOYSA-N -1 1 379.384 0.992 20 0 GCADMM Cc1nc2ncnn2c(C)c1CCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822467513 606652167 /nfs/dbraw/zinc/65/21/67/606652167.db2.gz ONPXPLJSSXHSTQ-UHFFFAOYSA-N -1 1 379.384 0.992 20 0 GCADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964370 606652941 /nfs/dbraw/zinc/65/29/41/606652941.db2.gz HIOZGACWWCYNJC-CHWSQXEVSA-N -1 1 384.396 0.870 20 0 GCADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964370 606652942 /nfs/dbraw/zinc/65/29/42/606652942.db2.gz HIOZGACWWCYNJC-CHWSQXEVSA-N -1 1 384.396 0.870 20 0 GCADMM COC(=O)[C@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C[C@@H]1C ZINC000821655062 606691438 /nfs/dbraw/zinc/69/14/38/606691438.db2.gz DMEVBDWOKUKQTP-ZANVPECISA-N -1 1 388.428 0.784 20 0 GCADMM COC(=O)[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C[C@@H]1C ZINC000821655061 606691494 /nfs/dbraw/zinc/69/14/94/606691494.db2.gz DMEVBDWOKUKQTP-TVQRCGJNSA-N -1 1 388.428 0.784 20 0 GCADMM CC(C)(C)N(CC(N)=O)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000819914497 606720489 /nfs/dbraw/zinc/72/04/89/606720489.db2.gz UHKNMPUJOFNNAJ-UHFFFAOYSA-N -1 1 397.443 0.577 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1noc(-c2ccccc2)n1 ZINC000820450871 606725375 /nfs/dbraw/zinc/72/53/75/606725375.db2.gz QADQMMRMBNRSKX-VIFPVBQESA-N -1 1 395.383 0.487 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000820385424 606727021 /nfs/dbraw/zinc/72/70/21/606727021.db2.gz RUBKQJGEHDFXCC-QWRGUYRKSA-N -1 1 376.421 0.775 20 0 GCADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000820385424 606727022 /nfs/dbraw/zinc/72/70/22/606727022.db2.gz RUBKQJGEHDFXCC-QWRGUYRKSA-N -1 1 376.421 0.775 20 0 GCADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cn(-c2ccccc2)nn1 ZINC000820451397 606728664 /nfs/dbraw/zinc/72/86/64/606728664.db2.gz VBKVHBWSDSQKOP-JTQLQIEISA-N -1 1 394.399 0.018 20 0 GCADMM O=C(c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823493721 606738221 /nfs/dbraw/zinc/73/82/21/606738221.db2.gz TTWLYHPMNKKXPK-CYBMUJFWSA-N -1 1 399.436 0.455 20 0 GCADMM O=C(c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823493721 606738222 /nfs/dbraw/zinc/73/82/22/606738222.db2.gz TTWLYHPMNKKXPK-CYBMUJFWSA-N -1 1 399.436 0.455 20 0 GCADMM CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821920737 606738413 /nfs/dbraw/zinc/73/84/13/606738413.db2.gz XTGYVTWUGYLDBR-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC000821645238 606746347 /nfs/dbraw/zinc/74/63/47/606746347.db2.gz UYDTYNFAGUBWTP-CYBMUJFWSA-N -1 1 380.430 0.662 20 0 GCADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC000821645238 606746349 /nfs/dbraw/zinc/74/63/49/606746349.db2.gz UYDTYNFAGUBWTP-CYBMUJFWSA-N -1 1 380.430 0.662 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000822005838 606752082 /nfs/dbraw/zinc/75/20/82/606752082.db2.gz UHPVPFAEPZAXGK-UONOGXRCSA-N -1 1 387.444 0.058 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccnc1 ZINC000820788671 606762917 /nfs/dbraw/zinc/76/29/17/606762917.db2.gz LZIPAFQDTXFIHB-GFCCVEGCSA-N -1 1 380.416 0.472 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccnc1 ZINC000820788671 606762919 /nfs/dbraw/zinc/76/29/19/606762919.db2.gz LZIPAFQDTXFIHB-GFCCVEGCSA-N -1 1 380.416 0.472 20 0 GCADMM Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822705142 606764196 /nfs/dbraw/zinc/76/41/96/606764196.db2.gz XBNJFYFVGFKIIB-JTQLQIEISA-N -1 1 392.420 0.703 20 0 GCADMM CCOCCCNC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821378630 606764552 /nfs/dbraw/zinc/76/45/52/606764552.db2.gz QOBSELDBVXAELG-GFCCVEGCSA-N -1 1 391.505 0.468 20 0 GCADMM CCOCCCNC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821378630 606764553 /nfs/dbraw/zinc/76/45/53/606764553.db2.gz QOBSELDBVXAELG-GFCCVEGCSA-N -1 1 391.505 0.468 20 0 GCADMM CCn1cc(NC(=S)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000821566729 606765337 /nfs/dbraw/zinc/76/53/37/606765337.db2.gz RGCBCEYGLLZSPI-LLVKDONJSA-N -1 1 399.488 0.781 20 0 GCADMM CCn1cc(NC(=S)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000821566729 606765338 /nfs/dbraw/zinc/76/53/38/606765338.db2.gz RGCBCEYGLLZSPI-LLVKDONJSA-N -1 1 399.488 0.781 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C3=CCCC3)CC2)o1 ZINC000822424247 606768149 /nfs/dbraw/zinc/76/81/49/606768149.db2.gz UWHZVXZYPLUXOP-UHFFFAOYSA-N -1 1 387.400 0.465 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(OCC(F)(F)F)nc2)c1=O ZINC000821565575 606768914 /nfs/dbraw/zinc/76/89/14/606768914.db2.gz ZNSIWZRRVVFOBJ-UHFFFAOYSA-N -1 1 397.317 0.594 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1CC2(CCCC2)CC1=O ZINC000820803892 606769248 /nfs/dbraw/zinc/76/92/48/606769248.db2.gz JJYIEXOICDSPHV-CQSZACIVSA-N -1 1 397.487 0.917 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1CC2(CCCC2)CC1=O ZINC000820803892 606769249 /nfs/dbraw/zinc/76/92/49/606769249.db2.gz JJYIEXOICDSPHV-CQSZACIVSA-N -1 1 397.487 0.917 20 0 GCADMM CC(C)Cc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000820108493 606779310 /nfs/dbraw/zinc/77/93/10/606779310.db2.gz KQNMIUNZLSNTHZ-GFCCVEGCSA-N -1 1 384.448 0.949 20 0 GCADMM CC(C)Cc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000820108493 606779313 /nfs/dbraw/zinc/77/93/13/606779313.db2.gz KQNMIUNZLSNTHZ-GFCCVEGCSA-N -1 1 384.448 0.949 20 0 GCADMM CC(C)N(C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000820788869 606779504 /nfs/dbraw/zinc/77/95/04/606779504.db2.gz QAAJNXOMXSWWPL-AWEZNQCLSA-N -1 1 387.492 0.813 20 0 GCADMM CC(C)N(C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000820788869 606779507 /nfs/dbraw/zinc/77/95/07/606779507.db2.gz QAAJNXOMXSWWPL-AWEZNQCLSA-N -1 1 387.492 0.813 20 0 GCADMM CCCN(CCC)C(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821099789 606781507 /nfs/dbraw/zinc/78/15/07/606781507.db2.gz NXNLXTNILFFUJH-CQSZACIVSA-N -1 1 387.492 0.816 20 0 GCADMM CCCN(CCC)C(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821099789 606781509 /nfs/dbraw/zinc/78/15/09/606781509.db2.gz NXNLXTNILFFUJH-CQSZACIVSA-N -1 1 387.492 0.816 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC1CCCCC1 ZINC000820788917 606782429 /nfs/dbraw/zinc/78/24/29/606782429.db2.gz RIKGVKHFNOJWOC-CYBMUJFWSA-N -1 1 385.476 0.616 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC1CCCCC1 ZINC000820788917 606782430 /nfs/dbraw/zinc/78/24/30/606782430.db2.gz RIKGVKHFNOJWOC-CYBMUJFWSA-N -1 1 385.476 0.616 20 0 GCADMM Cc1nnc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1C1CC1 ZINC000822509877 606786136 /nfs/dbraw/zinc/78/61/36/606786136.db2.gz GBFUIKNPEUTTAD-LLVKDONJSA-N -1 1 381.448 0.602 20 0 GCADMM Cc1nnc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1C1CC1 ZINC000822509877 606786138 /nfs/dbraw/zinc/78/61/38/606786138.db2.gz GBFUIKNPEUTTAD-LLVKDONJSA-N -1 1 381.448 0.602 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)[C@@H]1CCCO1 ZINC000820352550 606786710 /nfs/dbraw/zinc/78/67/10/606786710.db2.gz VTAGGTACGRTCRW-AGIUHOORSA-N -1 1 387.448 0.444 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)[C@@H]1CCCO1 ZINC000820352550 606786711 /nfs/dbraw/zinc/78/67/11/606786711.db2.gz VTAGGTACGRTCRW-AGIUHOORSA-N -1 1 387.448 0.444 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000820352551 606786834 /nfs/dbraw/zinc/78/68/34/606786834.db2.gz VTAGGTACGRTCRW-AVGNSLFASA-N -1 1 387.448 0.444 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000820352551 606786836 /nfs/dbraw/zinc/78/68/36/606786836.db2.gz VTAGGTACGRTCRW-AVGNSLFASA-N -1 1 387.448 0.444 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1CCCOC1 ZINC000820788910 606788313 /nfs/dbraw/zinc/78/83/13/606788313.db2.gz RBYQYPNEGBYTJO-STQMWFEESA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1CCCOC1 ZINC000820788910 606788315 /nfs/dbraw/zinc/78/83/15/606788315.db2.gz RBYQYPNEGBYTJO-STQMWFEESA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H](Cn1cccn1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820308192 606788405 /nfs/dbraw/zinc/78/84/05/606788405.db2.gz UCOBXLZYIZPADT-OLZOCXBDSA-N -1 1 397.447 0.162 20 0 GCADMM C[C@H](Cn1cccn1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820308192 606788407 /nfs/dbraw/zinc/78/84/07/606788407.db2.gz UCOBXLZYIZPADT-OLZOCXBDSA-N -1 1 397.447 0.162 20 0 GCADMM Cc1cccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822304356 606789706 /nfs/dbraw/zinc/78/97/06/606789706.db2.gz UNYSFTQMTSCRPN-ZDUSSCGKSA-N -1 1 394.443 0.780 20 0 GCADMM Cc1cccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822304356 606789707 /nfs/dbraw/zinc/78/97/07/606789707.db2.gz UNYSFTQMTSCRPN-ZDUSSCGKSA-N -1 1 394.443 0.780 20 0 GCADMM Cc1occc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822554364 606790212 /nfs/dbraw/zinc/79/02/12/606790212.db2.gz YSUORYVWQRJRHZ-NSHDSACASA-N -1 1 383.416 0.978 20 0 GCADMM Cc1occc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822554364 606790214 /nfs/dbraw/zinc/79/02/14/606790214.db2.gz YSUORYVWQRJRHZ-NSHDSACASA-N -1 1 383.416 0.978 20 0 GCADMM COCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821686030 606790973 /nfs/dbraw/zinc/79/09/73/606790973.db2.gz YKKFWZZMACYIDF-NEPJUHHUSA-N -1 1 375.437 0.302 20 0 GCADMM COCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821686030 606790975 /nfs/dbraw/zinc/79/09/75/606790975.db2.gz YKKFWZZMACYIDF-NEPJUHHUSA-N -1 1 375.437 0.302 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@]1(C)CCOC1 ZINC000820788279 606792049 /nfs/dbraw/zinc/79/20/49/606792049.db2.gz CBEJPUUNMPPDAU-PXAZEXFGSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@]1(C)CCOC1 ZINC000820788279 606792051 /nfs/dbraw/zinc/79/20/51/606792051.db2.gz CBEJPUUNMPPDAU-PXAZEXFGSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCOCC1CC1 ZINC000820788876 606792455 /nfs/dbraw/zinc/79/24/55/606792455.db2.gz QDUDUGRRNAXCEG-LBPRGKRZSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCOCC1CC1 ZINC000820788876 606792457 /nfs/dbraw/zinc/79/24/57/606792457.db2.gz QDUDUGRRNAXCEG-LBPRGKRZSA-N -1 1 387.448 0.303 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(C(=O)OC)sc2C)c1=O ZINC000821565051 606793063 /nfs/dbraw/zinc/79/30/63/606793063.db2.gz BGRMZFMYCZPTFX-UHFFFAOYSA-N -1 1 376.398 0.415 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)[C@H]1CCOC1 ZINC000820348655 606793345 /nfs/dbraw/zinc/79/33/45/606793345.db2.gz FNBHHMZDCOLBSO-AGIUHOORSA-N -1 1 387.448 0.302 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)[C@H]1CCOC1 ZINC000820348655 606793347 /nfs/dbraw/zinc/79/33/47/606793347.db2.gz FNBHHMZDCOLBSO-AGIUHOORSA-N -1 1 387.448 0.302 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCOC1CCC1 ZINC000820788635 606793933 /nfs/dbraw/zinc/79/39/33/606793933.db2.gz LDPLILCUGUKZMI-GFCCVEGCSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCOC1CCC1 ZINC000820788635 606793935 /nfs/dbraw/zinc/79/39/35/606793935.db2.gz LDPLILCUGUKZMI-GFCCVEGCSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@]1(C)CCCO1 ZINC000820788766 606795650 /nfs/dbraw/zinc/79/56/50/606795650.db2.gz NQYBGMJICKIVRP-SJCJKPOMSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@]1(C)CCCO1 ZINC000820788766 606795652 /nfs/dbraw/zinc/79/56/52/606795652.db2.gz NQYBGMJICKIVRP-SJCJKPOMSA-N -1 1 387.448 0.446 20 0 GCADMM Cc1noc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822520189 606796759 /nfs/dbraw/zinc/79/67/59/606796759.db2.gz SIERCYVJFNGJED-UWVGGRQHSA-N -1 1 399.419 0.329 20 0 GCADMM Cc1noc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822520189 606796760 /nfs/dbraw/zinc/79/67/60/606796760.db2.gz SIERCYVJFNGJED-UWVGGRQHSA-N -1 1 399.419 0.329 20 0 GCADMM CCc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n2ncnc2n1 ZINC000821471287 606807297 /nfs/dbraw/zinc/80/72/97/606807297.db2.gz YNMLUUADPKRIGP-NSHDSACASA-N -1 1 392.431 0.372 20 0 GCADMM CCc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n2ncnc2n1 ZINC000821471287 606807298 /nfs/dbraw/zinc/80/72/98/606807298.db2.gz YNMLUUADPKRIGP-NSHDSACASA-N -1 1 392.431 0.372 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1cc(-n2ccnc2)ncn1 ZINC000820804239 606807315 /nfs/dbraw/zinc/80/73/15/606807315.db2.gz OWCLSPYDOGFTCV-LBPRGKRZSA-N -1 1 390.415 0.348 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1cc(-n2ccnc2)ncn1 ZINC000820804239 606807316 /nfs/dbraw/zinc/80/73/16/606807316.db2.gz OWCLSPYDOGFTCV-LBPRGKRZSA-N -1 1 390.415 0.348 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCO[C@H]1CCOC1 ZINC000822004148 606811289 /nfs/dbraw/zinc/81/12/89/606811289.db2.gz BDAZOQGDASPFSO-ZDUSSCGKSA-N -1 1 390.444 0.829 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CC1(Cl)Cl ZINC000820778980 606820140 /nfs/dbraw/zinc/82/01/40/606820140.db2.gz ZSNLJJAXVFRFJK-BDAKNGLRSA-N -1 1 383.243 0.888 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CC1(Cl)Cl ZINC000820778980 606820142 /nfs/dbraw/zinc/82/01/42/606820142.db2.gz ZSNLJJAXVFRFJK-BDAKNGLRSA-N -1 1 383.243 0.888 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cn2ccccc2n1 ZINC000820789234 606820239 /nfs/dbraw/zinc/82/02/39/606820239.db2.gz YLZMJBOTHKALEC-LBPRGKRZSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cn2ccccc2n1 ZINC000820789234 606820241 /nfs/dbraw/zinc/82/02/41/606820241.db2.gz YLZMJBOTHKALEC-LBPRGKRZSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC000820788451 606820304 /nfs/dbraw/zinc/82/03/04/606820304.db2.gz HHUWOWBMFHTVKT-GFCCVEGCSA-N -1 1 392.423 0.943 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC000820788451 606820306 /nfs/dbraw/zinc/82/03/06/606820306.db2.gz HHUWOWBMFHTVKT-GFCCVEGCSA-N -1 1 392.423 0.943 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1nccs1 ZINC000820777178 606822029 /nfs/dbraw/zinc/82/20/29/606822029.db2.gz QCGPOOFDUUPUIE-NSHDSACASA-N -1 1 385.457 0.783 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1nccs1 ZINC000820777178 606822031 /nfs/dbraw/zinc/82/20/31/606822031.db2.gz QCGPOOFDUUPUIE-NSHDSACASA-N -1 1 385.457 0.783 20 0 GCADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000822233277 606822579 /nfs/dbraw/zinc/82/25/79/606822579.db2.gz LPSAULJPTVZTDY-ZDUSSCGKSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000822233277 606822581 /nfs/dbraw/zinc/82/25/81/606822581.db2.gz LPSAULJPTVZTDY-ZDUSSCGKSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)n1C ZINC000822169167 606822739 /nfs/dbraw/zinc/82/27/39/606822739.db2.gz YTYVBMTYKZDFCY-LBPRGKRZSA-N -1 1 381.444 0.963 20 0 GCADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)n1C ZINC000822169167 606822741 /nfs/dbraw/zinc/82/27/41/606822741.db2.gz YTYVBMTYKZDFCY-LBPRGKRZSA-N -1 1 381.444 0.963 20 0 GCADMM COc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821786842 606824496 /nfs/dbraw/zinc/82/44/96/606824496.db2.gz KLSNXMQTGCFUOS-ZDUSSCGKSA-N -1 1 394.439 0.945 20 0 GCADMM COc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821786842 606824498 /nfs/dbraw/zinc/82/44/98/606824498.db2.gz KLSNXMQTGCFUOS-ZDUSSCGKSA-N -1 1 394.439 0.945 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000820789163 606825623 /nfs/dbraw/zinc/82/56/23/606825623.db2.gz WULJMPPVYLOJHD-LLVKDONJSA-N -1 1 394.395 0.736 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000820789163 606825625 /nfs/dbraw/zinc/82/56/25/606825625.db2.gz WULJMPPVYLOJHD-LLVKDONJSA-N -1 1 394.395 0.736 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc2cncn21 ZINC000820788325 606829983 /nfs/dbraw/zinc/82/99/83/606829983.db2.gz DLJNUVBONWHVCI-JTQLQIEISA-N -1 1 396.440 0.717 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc2cncn21 ZINC000820788325 606829984 /nfs/dbraw/zinc/82/99/84/606829984.db2.gz DLJNUVBONWHVCI-JTQLQIEISA-N -1 1 396.440 0.717 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1cccnc1 ZINC000820774289 606831195 /nfs/dbraw/zinc/83/11/95/606831195.db2.gz AFMVVYVESLXHSJ-GFCCVEGCSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1cccnc1 ZINC000820774289 606831196 /nfs/dbraw/zinc/83/11/96/606831196.db2.gz AFMVVYVESLXHSJ-GFCCVEGCSA-N -1 1 381.400 0.168 20 0 GCADMM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821285296 606831296 /nfs/dbraw/zinc/83/12/96/606831296.db2.gz IYPGPKGMGZKBLQ-UHFFFAOYSA-N -1 1 383.409 0.042 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000820775946 606831472 /nfs/dbraw/zinc/83/14/72/606831472.db2.gz KKUPOESCPHTXBA-OLZOCXBDSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000820775946 606831474 /nfs/dbraw/zinc/83/14/74/606831474.db2.gz KKUPOESCPHTXBA-OLZOCXBDSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CSCCS1 ZINC000820776919 606831672 /nfs/dbraw/zinc/83/16/72/606831672.db2.gz NSLQGGQFUZPQLX-WDEREUQCSA-N -1 1 392.514 0.542 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CSCCS1 ZINC000820776919 606831674 /nfs/dbraw/zinc/83/16/74/606831674.db2.gz NSLQGGQFUZPQLX-WDEREUQCSA-N -1 1 392.514 0.542 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cnccn1 ZINC000820775505 606831745 /nfs/dbraw/zinc/83/17/45/606831745.db2.gz INNQUGFGCOOLAW-JDGPPOGSSA-N -1 1 378.400 0.197 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cnccn1 ZINC000820775505 606831746 /nfs/dbraw/zinc/83/17/46/606831746.db2.gz INNQUGFGCOOLAW-JDGPPOGSSA-N -1 1 378.400 0.197 20 0 GCADMM Cc1cccnc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822369290 606834152 /nfs/dbraw/zinc/83/41/52/606834152.db2.gz FPAPJALZOOBAOA-ZDUSSCGKSA-N -1 1 394.443 0.780 20 0 GCADMM Cc1cccnc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822369290 606834154 /nfs/dbraw/zinc/83/41/54/606834154.db2.gz FPAPJALZOOBAOA-ZDUSSCGKSA-N -1 1 394.443 0.780 20 0 GCADMM COc1ccccc1N1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1=O ZINC000821896821 606836132 /nfs/dbraw/zinc/83/61/32/606836132.db2.gz BYYNDPKTJHRRLX-LLVKDONJSA-N -1 1 397.399 0.536 20 0 GCADMM COc1ccccc1N1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1=O ZINC000821896821 606836133 /nfs/dbraw/zinc/83/61/33/606836133.db2.gz BYYNDPKTJHRRLX-LLVKDONJSA-N -1 1 397.399 0.536 20 0 GCADMM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819891642 606840287 /nfs/dbraw/zinc/84/02/87/606840287.db2.gz FOVIPXPCOSIGEQ-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819810994 606841245 /nfs/dbraw/zinc/84/12/45/606841245.db2.gz SKDXDRVGOJQXBK-UHFFFAOYSA-N -1 1 382.421 0.543 20 0 GCADMM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821335074 606842016 /nfs/dbraw/zinc/84/20/16/606842016.db2.gz XGTSHWVFYVJNNK-LLVKDONJSA-N -1 1 398.420 0.905 20 0 GCADMM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000820295172 606843558 /nfs/dbraw/zinc/84/35/58/606843558.db2.gz ZVJTVCXFNWWERV-MRVPVSSYSA-N -1 1 377.423 0.059 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1Cn1cncn1 ZINC000823606773 606844472 /nfs/dbraw/zinc/84/44/72/606844472.db2.gz MCJHUYNCLBLYIW-NSHDSACASA-N -1 1 378.393 0.451 20 0 GCADMM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822865119 606844642 /nfs/dbraw/zinc/84/46/42/606844642.db2.gz VUSMGJUAOIHNJE-SNVBAGLBSA-N -1 1 382.421 0.672 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(CC(F)F)CC1 ZINC000823606866 606844759 /nfs/dbraw/zinc/84/47/59/606844759.db2.gz OHYBJXIJVDTNLD-UHFFFAOYSA-N -1 1 376.364 0.577 20 0 GCADMM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000821675206 606845339 /nfs/dbraw/zinc/84/53/39/606845339.db2.gz GKFRTIPFVBEOQW-QMMMGPOBSA-N -1 1 397.392 0.917 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000823601178 606845777 /nfs/dbraw/zinc/84/57/77/606845777.db2.gz VBYBXLLZNDBBEZ-GFCCVEGCSA-N -1 1 382.421 0.101 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)C1CCCCC1 ZINC000820804412 606847939 /nfs/dbraw/zinc/84/79/39/606847939.db2.gz RWAWOPKVABPKBC-GFCCVEGCSA-N -1 1 392.489 0.830 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)C1CCCCC1 ZINC000820804412 606847940 /nfs/dbraw/zinc/84/79/40/606847940.db2.gz RWAWOPKVABPKBC-GFCCVEGCSA-N -1 1 392.489 0.830 20 0 GCADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820736009 606848168 /nfs/dbraw/zinc/84/81/68/606848168.db2.gz WKQGWMVXELMCHT-MFKMUULPSA-N -1 1 391.457 0.187 20 0 GCADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820736009 606848170 /nfs/dbraw/zinc/84/81/70/606848170.db2.gz WKQGWMVXELMCHT-MFKMUULPSA-N -1 1 391.457 0.187 20 0 GCADMM C[C@@H]1CCCN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820704894 606853069 /nfs/dbraw/zinc/85/30/69/606853069.db2.gz QKZSAMONECLQKE-ZIAGYGMSSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@@H]1CCCN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820704894 606853070 /nfs/dbraw/zinc/85/30/70/606853070.db2.gz QKZSAMONECLQKE-ZIAGYGMSSA-N -1 1 385.476 0.426 20 0 GCADMM COc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821838083 606855461 /nfs/dbraw/zinc/85/54/61/606855461.db2.gz KDNOMEWUEMHWNB-NSHDSACASA-N -1 1 396.411 0.722 20 0 GCADMM COc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821838083 606855462 /nfs/dbraw/zinc/85/54/62/606855462.db2.gz KDNOMEWUEMHWNB-NSHDSACASA-N -1 1 396.411 0.722 20 0 GCADMM CCOc1cccnc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821438020 606855702 /nfs/dbraw/zinc/85/57/02/606855702.db2.gz SBSMUTKPWHNATJ-LBPRGKRZSA-N -1 1 395.427 0.801 20 0 GCADMM CCOc1cccnc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821438020 606855704 /nfs/dbraw/zinc/85/57/04/606855704.db2.gz SBSMUTKPWHNATJ-LBPRGKRZSA-N -1 1 395.427 0.801 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1-c1nn[n-]n1 ZINC000821970225 606855864 /nfs/dbraw/zinc/85/58/64/606855864.db2.gz LVFNBQSVDJYHOT-RYUDHWBXSA-N -1 1 392.441 0.709 20 0 GCADMM O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1cccc(-c2nn[nH]n2)c1 ZINC000823613443 606872691 /nfs/dbraw/zinc/87/26/91/606872691.db2.gz IUEJZIJPPFQWCA-UHFFFAOYSA-N -1 1 391.434 0.997 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCOC3(C2)CCCCCC3)n(C)c1=O ZINC000822600716 606878252 /nfs/dbraw/zinc/87/82/52/606878252.db2.gz QQXXYAGHMVKPRQ-UHFFFAOYSA-N -1 1 375.433 0.194 20 0 GCADMM CO[C@@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1Cl ZINC000821677344 606880166 /nfs/dbraw/zinc/88/01/66/606880166.db2.gz UYBKEBRQATULHG-NSHDSACASA-N -1 1 391.819 0.717 20 0 GCADMM CCO[C@@H]1C[C@@H](N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCC2 ZINC000821359510 606880273 /nfs/dbraw/zinc/88/02/73/606880273.db2.gz NQJYJMGYSBEROS-GHMZBOCLSA-N -1 1 375.433 0.048 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nnc1C ZINC000822208563 606908767 /nfs/dbraw/zinc/90/87/67/606908767.db2.gz XUFLSNCNKDGDQH-LLVKDONJSA-N -1 1 395.431 0.806 20 0 GCADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nnc1C ZINC000822208563 606908769 /nfs/dbraw/zinc/90/87/69/606908769.db2.gz XUFLSNCNKDGDQH-LLVKDONJSA-N -1 1 395.431 0.806 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@H]2CCCC[C@@H]2N1 ZINC000823536198 606943841 /nfs/dbraw/zinc/94/38/41/606943841.db2.gz VHGKODWSKPMBPI-STQMWFEESA-N -1 1 380.405 0.438 20 0 GCADMM COc1cc(OC)cc(OCCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821727050 606955648 /nfs/dbraw/zinc/95/56/48/606955648.db2.gz ABRJUIAVBMWPRO-UHFFFAOYSA-N -1 1 388.388 0.818 20 0 GCADMM COc1cc(OC)cc(OCCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821727050 606955650 /nfs/dbraw/zinc/95/56/50/606955650.db2.gz ABRJUIAVBMWPRO-UHFFFAOYSA-N -1 1 388.388 0.818 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000822609265 606956075 /nfs/dbraw/zinc/95/60/75/606956075.db2.gz LUJNWUJRTDYTGF-SECBINFHSA-N -1 1 377.409 0.731 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000822609265 606956077 /nfs/dbraw/zinc/95/60/77/606956077.db2.gz LUJNWUJRTDYTGF-SECBINFHSA-N -1 1 377.409 0.731 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1csc(=O)[nH]1 ZINC000822005583 606969819 /nfs/dbraw/zinc/96/98/19/606969819.db2.gz SOGGZTPYZJREKR-UHFFFAOYSA-N -1 1 375.414 0.995 20 0 GCADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1C1CCCCC1 ZINC000823510826 607007013 /nfs/dbraw/zinc/00/70/13/607007013.db2.gz APZOROCXPAWJQD-AWEZNQCLSA-N -1 1 391.457 0.474 20 0 GCADMM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1C1CCCCC1 ZINC000823510826 607007015 /nfs/dbraw/zinc/00/70/15/607007015.db2.gz APZOROCXPAWJQD-AWEZNQCLSA-N -1 1 391.457 0.474 20 0 GCADMM C[C@@]1([C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820612745 607029224 /nfs/dbraw/zinc/02/92/24/607029224.db2.gz IDROVNRSBALBJU-UANNBLPKSA-N -1 1 382.837 0.791 20 0 GCADMM C[C@@]1([C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820612745 607029226 /nfs/dbraw/zinc/02/92/26/607029226.db2.gz IDROVNRSBALBJU-UANNBLPKSA-N -1 1 382.837 0.791 20 0 GCADMM Cc1ccc(C)c(N2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000822231903 607038478 /nfs/dbraw/zinc/03/84/78/607038478.db2.gz LYUATRYKHFHONE-UHFFFAOYSA-N -1 1 396.455 0.208 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3c(F)cc(F)cc3C2)n(C)c1=O ZINC000822599822 607040084 /nfs/dbraw/zinc/04/00/84/607040084.db2.gz HPZQKCTXCHAEJR-UHFFFAOYSA-N -1 1 375.339 0.105 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccco2)C[C@@H]2CCCO2)n(C)c1=O ZINC000822601340 607041942 /nfs/dbraw/zinc/04/19/42/607041942.db2.gz XVHOJDFCDMDHOG-LBPRGKRZSA-N -1 1 387.400 0.043 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@H](C)[S@](C)=O ZINC000822006098 607099141 /nfs/dbraw/zinc/09/91/41/607099141.db2.gz XVPSXWQNOUPQBC-MGGBDBEPSA-N -1 1 380.474 0.790 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccccc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822969744 607109011 /nfs/dbraw/zinc/10/90/11/607109011.db2.gz ZOFPPPQSXKWXIN-UHFFFAOYSA-N -1 1 379.427 0.630 20 0 GCADMM O=C(CCNS(=O)(=O)c1ccccc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822969744 607109012 /nfs/dbraw/zinc/10/90/12/607109012.db2.gz ZOFPPPQSXKWXIN-UHFFFAOYSA-N -1 1 379.427 0.630 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)CN1C(=O)c2ccccc2C1=O ZINC000823026721 607113892 /nfs/dbraw/zinc/11/38/92/607113892.db2.gz CPJJKVXLAXUXAC-UHFFFAOYSA-N -1 1 397.372 0.950 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)CN1C(=O)c2ccccc2C1=O ZINC000823026721 607113893 /nfs/dbraw/zinc/11/38/93/607113893.db2.gz CPJJKVXLAXUXAC-UHFFFAOYSA-N -1 1 397.372 0.950 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC3(CC2)OCc2ccccc23)n(C)c1=O ZINC000822600598 607121210 /nfs/dbraw/zinc/12/12/10/607121210.db2.gz OBLOOMDOMYMCFR-UHFFFAOYSA-N -1 1 395.423 0.290 20 0 GCADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2Cl)cn1 ZINC000821663864 607122252 /nfs/dbraw/zinc/12/22/52/607122252.db2.gz RKUVUVMRSZWIFO-UHFFFAOYSA-N -1 1 397.804 0.690 20 0 GCADMM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000820001230 607150139 /nfs/dbraw/zinc/15/01/39/607150139.db2.gz GBLYTNMUSKLAGG-UHFFFAOYSA-N -1 1 392.401 0.184 20 0 GCADMM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000820001230 607150141 /nfs/dbraw/zinc/15/01/41/607150141.db2.gz GBLYTNMUSKLAGG-UHFFFAOYSA-N -1 1 392.401 0.184 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000823123351 607158822 /nfs/dbraw/zinc/15/88/22/607158822.db2.gz XLSWPGCIMNQEPG-UHFFFAOYSA-N -1 1 398.774 0.296 20 0 GCADMM CSC[C@H](CCO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821955754 607187117 /nfs/dbraw/zinc/18/71/17/607187117.db2.gz ATJYVJWBWPWTHT-NSHDSACASA-N -1 1 380.474 0.747 20 0 GCADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820564052 607205679 /nfs/dbraw/zinc/20/56/79/607205679.db2.gz XWLVXDVJFFGOEK-NSHDSACASA-N -1 1 379.388 0.259 20 0 GCADMM COc1cccc([C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2nccn2C)c1 ZINC000821864306 607205773 /nfs/dbraw/zinc/20/57/73/607205773.db2.gz WMTNSXDJNWRJAE-AWEZNQCLSA-N -1 1 394.399 0.106 20 0 GCADMM CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820112289 607206379 /nfs/dbraw/zinc/20/63/79/607206379.db2.gz QDGKHMXMQXIRGJ-UHFFFAOYSA-N -1 1 387.379 0.473 20 0 GCADMM CS(=O)(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC000821938187 607206833 /nfs/dbraw/zinc/20/68/33/607206833.db2.gz XQEHSZQTYNPWKW-UHFFFAOYSA-N -1 1 397.808 0.122 20 0 GCADMM Cc1c([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cnn1-c1ccc(F)cc1 ZINC000822020370 607207389 /nfs/dbraw/zinc/20/73/89/607207389.db2.gz ARWHOSQLZNBQJH-SNVBAGLBSA-N -1 1 396.390 0.969 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000823135993 607207870 /nfs/dbraw/zinc/20/78/70/607207870.db2.gz FAWSODBFBYKHIV-UHFFFAOYSA-N -1 1 390.367 0.744 20 0 GCADMM C[C@H]1CN(Cc2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000820758628 607207918 /nfs/dbraw/zinc/20/79/18/607207918.db2.gz AOOMQEUZSZWRQA-STQMWFEESA-N -1 1 397.443 0.706 20 0 GCADMM CCCCNC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821071318 607208033 /nfs/dbraw/zinc/20/80/33/607208033.db2.gz AWYXNWPLEQKWEK-UHFFFAOYSA-N -1 1 383.416 0.305 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000823125989 607208412 /nfs/dbraw/zinc/20/84/12/607208412.db2.gz DQLRUOCSTTVFSE-UHFFFAOYSA-N -1 1 376.384 0.229 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000823136369 607209150 /nfs/dbraw/zinc/20/91/50/607209150.db2.gz XWTIRBWFEQNYMS-UHFFFAOYSA-N -1 1 387.367 0.807 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000823131563 607209736 /nfs/dbraw/zinc/20/97/36/607209736.db2.gz JYBQHDFAVGEIIT-UHFFFAOYSA-N -1 1 377.368 0.307 20 0 GCADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821066337 607210211 /nfs/dbraw/zinc/21/02/11/607210211.db2.gz SVLLFHAOBSGLTQ-NWDGAFQWSA-N -1 1 375.437 0.002 20 0 GCADMM COCCOC(=O)Nc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821692087 607210607 /nfs/dbraw/zinc/21/06/07/607210607.db2.gz NWFZNIANGZDWIX-UHFFFAOYSA-N -1 1 387.360 0.292 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000823136246 607211807 /nfs/dbraw/zinc/21/18/07/607211807.db2.gz QKACQEBUPUIWRR-GFCCVEGCSA-N -1 1 380.372 0.825 20 0 GCADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821638955 607211980 /nfs/dbraw/zinc/21/19/80/607211980.db2.gz LXMQAMVRZUWEDW-LBPRGKRZSA-N -1 1 384.400 0.296 20 0 GCADMM CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000821081825 607212097 /nfs/dbraw/zinc/21/20/97/607212097.db2.gz AZTGYCKKBLOMCK-GFCCVEGCSA-N -1 1 383.416 0.724 20 0 GCADMM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822361946 607212800 /nfs/dbraw/zinc/21/28/00/607212800.db2.gz LJCIQOGJNIBEGZ-GFCCVEGCSA-N -1 1 399.440 0.307 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000823136313 607213047 /nfs/dbraw/zinc/21/30/47/607213047.db2.gz VCPPMFYSOJJFKZ-UHFFFAOYSA-N -1 1 390.367 0.744 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000823135955 607213071 /nfs/dbraw/zinc/21/30/71/607213071.db2.gz CCTBJLKOZLGYBX-UHFFFAOYSA-N -1 1 390.367 0.166 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(NC(=O)Oc2ccccc2)CC1 ZINC000823150226 607213942 /nfs/dbraw/zinc/21/39/42/607213942.db2.gz MMMKPGMHCAVKRF-UHFFFAOYSA-N -1 1 397.399 0.238 20 0 GCADMM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821571859 607215417 /nfs/dbraw/zinc/21/54/17/607215417.db2.gz INRLKTCXUHBLQI-UHFFFAOYSA-N -1 1 391.436 0.316 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1nc(-c2ccccn2)cs1 ZINC000823131431 607215713 /nfs/dbraw/zinc/21/57/13/607215713.db2.gz HFUBHHYZLPJXML-UHFFFAOYSA-N -1 1 382.413 0.336 20 0 GCADMM O=C(CC1CCCC1)NC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000822940818 607216274 /nfs/dbraw/zinc/21/62/74/607216274.db2.gz FUSYMBASDQLQRO-UHFFFAOYSA-N -1 1 387.448 0.146 20 0 GCADMM COC(=O)CCCOc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821661423 607216889 /nfs/dbraw/zinc/21/68/89/607216889.db2.gz ISKZCFJMXYCETM-UHFFFAOYSA-N -1 1 386.372 0.429 20 0 GCADMM CCN(CCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000821207480 607217064 /nfs/dbraw/zinc/21/70/64/607217064.db2.gz NTCOJTAIHDSQMM-UHFFFAOYSA-N -1 1 379.425 0.222 20 0 GCADMM CC(C)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)NC(=O)OC(C)(C)C ZINC000820021055 607217258 /nfs/dbraw/zinc/21/72/58/607217258.db2.gz OWONVNHBMFLQCU-JTQLQIEISA-N -1 1 379.425 0.124 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2ccc(Br)cc21 ZINC000823127140 607217288 /nfs/dbraw/zinc/21/72/88/607217288.db2.gz USGFLEPRGFXTKS-UHFFFAOYSA-N -1 1 375.190 0.810 20 0 GCADMM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)nnc1-2 ZINC000822704519 607217749 /nfs/dbraw/zinc/21/77/49/607217749.db2.gz MGARIXIQAABSIZ-UHFFFAOYSA-N -1 1 390.371 0.374 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(c2cccc(F)c2F)CC1 ZINC000823127023 607217883 /nfs/dbraw/zinc/21/78/83/607217883.db2.gz QWMPPESROCWYOE-UHFFFAOYSA-N -1 1 375.343 0.085 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000823131996 607217924 /nfs/dbraw/zinc/21/79/24/607217924.db2.gz UUMCGXUBXXYQBE-UHFFFAOYSA-N -1 1 386.763 0.478 20 0 GCADMM COC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000821682825 607218275 /nfs/dbraw/zinc/21/82/75/607218275.db2.gz OKFFMCHCIISOEP-LLVKDONJSA-N -1 1 396.333 0.981 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823127153 607218376 /nfs/dbraw/zinc/21/83/76/607218376.db2.gz UXTFHZRQJOAZMP-SNVBAGLBSA-N -1 1 383.199 0.615 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000823136206 607218475 /nfs/dbraw/zinc/21/84/75/607218475.db2.gz OLZRVBFPWRRWKT-UONOGXRCSA-N -1 1 384.400 0.779 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000823122986 607218537 /nfs/dbraw/zinc/21/85/37/607218537.db2.gz JXHSRMGILASUGI-HNNXBMFYSA-N -1 1 386.391 0.570 20 0 GCADMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000820098015 607220453 /nfs/dbraw/zinc/22/04/53/607220453.db2.gz VSUJUQQGZKEYHF-JTQLQIEISA-N -1 1 390.408 0.233 20 0 GCADMM COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000821640893 607221007 /nfs/dbraw/zinc/22/10/07/607221007.db2.gz RFIRMRYKSULIAI-NSHDSACASA-N -1 1 376.764 0.142 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1noc(Cc2ccccc2)n1 ZINC000820335138 607221920 /nfs/dbraw/zinc/22/19/20/607221920.db2.gz UEBXGTKRNIBSRZ-JTQLQIEISA-N -1 1 380.372 0.309 20 0 GCADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(O[C@@H]2CCOC2)c1 ZINC000822237142 607223306 /nfs/dbraw/zinc/22/33/06/607223306.db2.gz HIQOQTFOCVFNOM-CYBMUJFWSA-N -1 1 384.400 0.251 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572868 607231148 /nfs/dbraw/zinc/23/11/48/607231148.db2.gz OCMJKBNAWVMAMI-QMTHXVAHSA-N -1 1 382.471 0.595 20 0 GCADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572868 607231149 /nfs/dbraw/zinc/23/11/49/607231149.db2.gz OCMJKBNAWVMAMI-QMTHXVAHSA-N -1 1 382.471 0.595 20 0 GCADMM CCN(CCS(C)(=O)=O)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825424228 607799524 /nfs/dbraw/zinc/79/95/24/607799524.db2.gz BUJXNPYXFBSWLN-UHFFFAOYSA-N -1 1 396.473 0.410 20 0 GCADMM Cc1oc(NC(=O)CN(CCS(C)(=O)=O)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826342167 607802517 /nfs/dbraw/zinc/80/25/17/607802517.db2.gz ZSFPIZCNNDPKBI-UHFFFAOYSA-N -1 1 382.446 0.524 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](C[C@H]2CCOC2)c2ccccc2)n(C)c1=O ZINC000826355725 607811256 /nfs/dbraw/zinc/81/12/56/607811256.db2.gz KXERYPNEOCALKD-TZMCWYRMSA-N -1 1 397.439 0.844 20 0 GCADMM CCN(CCS(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825425026 607811856 /nfs/dbraw/zinc/81/18/56/607811856.db2.gz XYHKZCOCDRSCFC-UHFFFAOYSA-N -1 1 377.423 0.061 20 0 GCADMM CCN(CCS(C)(=O)=O)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825425026 607811857 /nfs/dbraw/zinc/81/18/57/607811857.db2.gz XYHKZCOCDRSCFC-UHFFFAOYSA-N -1 1 377.423 0.061 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000826494405 607818951 /nfs/dbraw/zinc/81/89/51/607818951.db2.gz APWOJBRMOIPREI-CYBMUJFWSA-N -1 1 387.425 0.637 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000826494405 607818952 /nfs/dbraw/zinc/81/89/52/607818952.db2.gz APWOJBRMOIPREI-CYBMUJFWSA-N -1 1 387.425 0.637 20 0 GCADMM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000823973081 607852765 /nfs/dbraw/zinc/85/27/65/607852765.db2.gz HUAZONXGEFPOKA-NSHDSACASA-N -1 1 382.421 0.495 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC000826146256 607852928 /nfs/dbraw/zinc/85/29/28/607852928.db2.gz SMDBGAKGKFYHML-VCTAVGKDSA-N -1 1 397.432 0.963 20 0 GCADMM CC(C)(CNC(=O)COc1cccc(F)c1-c1nn[n-]n1)N1CCOCC1 ZINC000824158045 607863180 /nfs/dbraw/zinc/86/31/80/607863180.db2.gz PYICBNWSTHUZRH-UHFFFAOYSA-N -1 1 378.408 0.612 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc(-n2cnnn2)cc1 ZINC000826493239 607867340 /nfs/dbraw/zinc/86/73/40/607867340.db2.gz ADEMELHZNARKQV-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc(-n2cnnn2)cc1 ZINC000826493239 607867341 /nfs/dbraw/zinc/86/73/41/607867341.db2.gz ADEMELHZNARKQV-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cccc(-n2cnnn2)c1 ZINC000826493570 607867468 /nfs/dbraw/zinc/86/74/68/607867468.db2.gz RCTMSJOTICXNBG-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cccc(-n2cnnn2)c1 ZINC000826493570 607867469 /nfs/dbraw/zinc/86/74/69/607867469.db2.gz RCTMSJOTICXNBG-UHFFFAOYSA-N -1 1 388.344 0.749 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@]3(CCOC3)C2=O)c1-c1nn[n-]n1 ZINC000826331847 607894400 /nfs/dbraw/zinc/89/44/00/607894400.db2.gz AHWOZUWBLQUNIB-SFHVURJKSA-N -1 1 394.395 0.572 20 0 GCADMM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826363768 607907008 /nfs/dbraw/zinc/90/70/08/607907008.db2.gz BBLAOJGWFPSXNM-SNVBAGLBSA-N -1 1 377.405 0.918 20 0 GCADMM C[C@]1(c2cccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2)NC(=O)NC1=O ZINC000824843402 607915261 /nfs/dbraw/zinc/91/52/61/607915261.db2.gz DPQZPBMOFWWIMJ-GOSISDBHSA-N -1 1 393.363 0.673 20 0 GCADMM C[C@]1(c2cccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC000824843402 607915262 /nfs/dbraw/zinc/91/52/62/607915262.db2.gz DPQZPBMOFWWIMJ-GOSISDBHSA-N -1 1 393.363 0.673 20 0 GCADMM CNC(=O)[C@H](CC(C)C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826067444 607919048 /nfs/dbraw/zinc/91/90/48/607919048.db2.gz FWCFYKIWRJQENP-ZDUSSCGKSA-N -1 1 389.460 0.794 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)Nc2c(C)cccc2Cl)c1=O ZINC000825797012 607931771 /nfs/dbraw/zinc/93/17/71/607931771.db2.gz TWAMLQIYLKBMOU-UHFFFAOYSA-N -1 1 389.803 0.811 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825658232 607937322 /nfs/dbraw/zinc/93/73/22/607937322.db2.gz BVGVRILZARRQJH-MRVPVSSYSA-N -1 1 393.878 0.622 20 0 GCADMM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825658232 607937323 /nfs/dbraw/zinc/93/73/23/607937323.db2.gz BVGVRILZARRQJH-MRVPVSSYSA-N -1 1 393.878 0.622 20 0 GCADMM Cc1cc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)ncn1 ZINC000826267067 607944025 /nfs/dbraw/zinc/94/40/25/607944025.db2.gz NZSZVULCKLLVDI-UHFFFAOYSA-N -1 1 392.427 0.874 20 0 GCADMM Cc1cc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)ncn1 ZINC000826267067 607944026 /nfs/dbraw/zinc/94/40/26/607944026.db2.gz NZSZVULCKLLVDI-UHFFFAOYSA-N -1 1 392.427 0.874 20 0 GCADMM COc1ccc(C[C@H](C)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000826191241 607968163 /nfs/dbraw/zinc/96/81/63/607968163.db2.gz APIPSCBNUVNOCT-NSHDSACASA-N -1 1 385.428 0.563 20 0 GCADMM NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000826390072 607976777 /nfs/dbraw/zinc/97/67/77/607976777.db2.gz PFAFTIWMFKPFQI-GFCCVEGCSA-N -1 1 385.409 0.430 20 0 GCADMM NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000826390072 607976778 /nfs/dbraw/zinc/97/67/78/607976778.db2.gz PFAFTIWMFKPFQI-GFCCVEGCSA-N -1 1 385.409 0.430 20 0 GCADMM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)N1CCc2ccccc21 ZINC000826411337 607989256 /nfs/dbraw/zinc/98/92/56/607989256.db2.gz VGAZYPCQYLZWCN-UHFFFAOYSA-N -1 1 391.439 0.368 20 0 GCADMM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)N1CCc2ccccc21 ZINC000826411337 607989257 /nfs/dbraw/zinc/98/92/57/607989257.db2.gz VGAZYPCQYLZWCN-UHFFFAOYSA-N -1 1 391.439 0.368 20 0 GCADMM O=C(COCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])NCc1cccnc1 ZINC000826416591 607998137 /nfs/dbraw/zinc/99/81/37/607998137.db2.gz GRYWJOBORKHIBH-UHFFFAOYSA-N -1 1 383.368 0.239 20 0 GCADMM COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826211812 607998636 /nfs/dbraw/zinc/99/86/36/607998636.db2.gz VQQROBZZLLRPSS-UHFFFAOYSA-N -1 1 390.381 0.481 20 0 GCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825865593 608009910 /nfs/dbraw/zinc/00/99/10/608009910.db2.gz HFXVMPYSSLUNPM-UHFFFAOYSA-N -1 1 388.837 0.157 20 0 GCADMM O=c1cc(CSc2nnc(CO)n2C2CC2)[nH]c2c(-c3nn[n-]n3)cnn21 ZINC000826510885 608014472 /nfs/dbraw/zinc/01/44/72/608014472.db2.gz PTWWWVPENIWGCC-UHFFFAOYSA-N -1 1 386.401 0.326 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccc[nH]1 ZINC000824490480 608024114 /nfs/dbraw/zinc/02/41/14/608024114.db2.gz QBZFBEGUONXCPQ-NEPJUHHUSA-N -1 1 382.432 0.966 20 0 GCADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccc[nH]1 ZINC000824490480 608024115 /nfs/dbraw/zinc/02/41/15/608024115.db2.gz QBZFBEGUONXCPQ-NEPJUHHUSA-N -1 1 382.432 0.966 20 0 GCADMM Cc1cncc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000826319155 608024385 /nfs/dbraw/zinc/02/43/85/608024385.db2.gz QDXZQQWYACEXOY-CYBMUJFWSA-N -1 1 394.443 0.780 20 0 GCADMM Cc1cncc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000826319155 608024386 /nfs/dbraw/zinc/02/43/86/608024386.db2.gz QDXZQQWYACEXOY-CYBMUJFWSA-N -1 1 394.443 0.780 20 0 GCADMM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826104412 608057303 /nfs/dbraw/zinc/05/73/03/608057303.db2.gz WCVHRDPUYRIERM-MRVPVSSYSA-N -1 1 379.320 0.481 20 0 GCADMM O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826398813 608074942 /nfs/dbraw/zinc/07/49/42/608074942.db2.gz GUYNMYLKTJBDTH-HIFRSBDPSA-N -1 1 394.443 0.755 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826232808 608076389 /nfs/dbraw/zinc/07/63/89/608076389.db2.gz JGEPZEJRACKJFS-GFCCVEGCSA-N -1 1 386.412 0.823 20 0 GCADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)Cc1ncc[nH]1 ZINC000825892499 608086717 /nfs/dbraw/zinc/08/67/17/608086717.db2.gz MVZXSKUOJOXOAB-UHFFFAOYSA-N -1 1 378.400 0.846 20 0 GCADMM Cc1sc(NC(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c(C)c1C ZINC000826349501 608095954 /nfs/dbraw/zinc/09/59/54/608095954.db2.gz JTILDECPTQVMSE-UHFFFAOYSA-N -1 1 375.414 0.353 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(OCC(F)(F)F)nc2)c1=O ZINC000826357234 608096143 /nfs/dbraw/zinc/09/61/43/608096143.db2.gz XBYMHONCVFPVDN-UHFFFAOYSA-N -1 1 383.290 0.112 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@H](C2CC2)CC1=O ZINC000824999539 608097050 /nfs/dbraw/zinc/09/70/50/608097050.db2.gz HJYZOGIDGACNBG-GXTWGEPZSA-N -1 1 383.460 0.383 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@H](C2CC2)CC1=O ZINC000824999539 608097051 /nfs/dbraw/zinc/09/70/51/608097051.db2.gz HJYZOGIDGACNBG-GXTWGEPZSA-N -1 1 383.460 0.383 20 0 GCADMM O=S(=O)(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487972 608097361 /nfs/dbraw/zinc/09/73/61/608097361.db2.gz FUCBZFCZTQKQEN-ADEWGFFLSA-N -1 1 384.512 0.920 20 0 GCADMM O=S(=O)(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487972 608097362 /nfs/dbraw/zinc/09/73/62/608097362.db2.gz FUCBZFCZTQKQEN-ADEWGFFLSA-N -1 1 384.512 0.920 20 0 GCADMM O=S(=O)(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487974 608097490 /nfs/dbraw/zinc/09/74/90/608097490.db2.gz FUCBZFCZTQKQEN-USWWRNFRSA-N -1 1 384.512 0.920 20 0 GCADMM O=S(=O)(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487974 608097491 /nfs/dbraw/zinc/09/74/91/608097491.db2.gz FUCBZFCZTQKQEN-USWWRNFRSA-N -1 1 384.512 0.920 20 0 GCADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-n2cnnn2)c1 ZINC000826256218 608101219 /nfs/dbraw/zinc/10/12/19/608101219.db2.gz ZCSBVHHRDBSIFU-UHFFFAOYSA-N -1 1 383.397 0.952 20 0 GCADMM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CN1 ZINC000826478830 608111924 /nfs/dbraw/zinc/11/19/24/608111924.db2.gz KHFMIYJCOFCRML-YGRLFVJLSA-N -1 1 394.432 0.685 20 0 GCADMM C[C@H]1OCC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825020481 608114598 /nfs/dbraw/zinc/11/45/98/608114598.db2.gz KDRWROQAUXISOO-PWSUYJOCSA-N -1 1 388.432 0.741 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccnc2OCC(F)F)n1 ZINC000826357106 608119165 /nfs/dbraw/zinc/11/91/65/608119165.db2.gz RFTRNCJXNSAVTC-UHFFFAOYSA-N -1 1 379.331 0.961 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccnc2OCC(F)F)n1 ZINC000826357106 608119166 /nfs/dbraw/zinc/11/91/66/608119166.db2.gz RFTRNCJXNSAVTC-UHFFFAOYSA-N -1 1 379.331 0.961 20 0 GCADMM O=S(=O)(N[C@H]1COc2cc(F)cc(F)c21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489134 608127177 /nfs/dbraw/zinc/12/71/77/608127177.db2.gz IOAPHZLCNUSTAL-NSHDSACASA-N -1 1 380.336 0.952 20 0 GCADMM O=S(=O)(N[C@H]1COc2cc(F)cc(F)c21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489134 608127178 /nfs/dbraw/zinc/12/71/78/608127178.db2.gz IOAPHZLCNUSTAL-NSHDSACASA-N -1 1 380.336 0.952 20 0 GCADMM O=C(COCCNC(=O)c1ccccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826416508 608143188 /nfs/dbraw/zinc/14/31/88/608143188.db2.gz CFXQXEUWBBNKTC-UHFFFAOYSA-N -1 1 382.380 0.752 20 0 GCADMM O=C(COCCNC(=O)c1ccccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826416508 608143189 /nfs/dbraw/zinc/14/31/89/608143189.db2.gz CFXQXEUWBBNKTC-UHFFFAOYSA-N -1 1 382.380 0.752 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@]2(CCOC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489412 608159574 /nfs/dbraw/zinc/15/95/74/608159574.db2.gz OUDPJPSCHLFJIV-ZUZCIYMTSA-N -1 1 383.405 0.622 20 0 GCADMM O=S(=O)(N[C@H]1CCO[C@]2(CCOC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489412 608159575 /nfs/dbraw/zinc/15/95/75/608159575.db2.gz OUDPJPSCHLFJIV-ZUZCIYMTSA-N -1 1 383.405 0.622 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 ZINC000826356781 608160788 /nfs/dbraw/zinc/16/07/88/608160788.db2.gz FSWFVHJOJXOXIH-MRVPVSSYSA-N -1 1 388.338 0.870 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 ZINC000826356781 608160789 /nfs/dbraw/zinc/16/07/89/608160789.db2.gz FSWFVHJOJXOXIH-MRVPVSSYSA-N -1 1 388.338 0.870 20 0 GCADMM C[C@@H]1OCC[C@@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825019967 608176892 /nfs/dbraw/zinc/17/68/92/608176892.db2.gz HQYAJTHEFODREP-AAEUAGOBSA-N -1 1 397.395 0.959 20 0 GCADMM C[C@@H]1OCC[C@@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825019967 608176894 /nfs/dbraw/zinc/17/68/94/608176894.db2.gz HQYAJTHEFODREP-AAEUAGOBSA-N -1 1 397.395 0.959 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC000825001060 608180290 /nfs/dbraw/zinc/18/02/90/608180290.db2.gz WRDINGBWGXINKJ-SNVBAGLBSA-N -1 1 391.399 0.279 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC000825001060 608180291 /nfs/dbraw/zinc/18/02/91/608180291.db2.gz WRDINGBWGXINKJ-SNVBAGLBSA-N -1 1 391.399 0.279 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H](OC(C)=O)C2)cc1-c1nn[n-]n1 ZINC000826229675 608199879 /nfs/dbraw/zinc/19/98/79/608199879.db2.gz MWGLENQKZMKOFK-SECBINFHSA-N -1 1 378.414 0.857 20 0 GCADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2nc[nH]n2)no1 ZINC000824235300 608202185 /nfs/dbraw/zinc/20/21/85/608202185.db2.gz FFWSYKSKIWIGNB-LLVKDONJSA-N -1 1 395.387 0.947 20 0 GCADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2nc[nH]n2)no1 ZINC000824235300 608202186 /nfs/dbraw/zinc/20/21/86/608202186.db2.gz FFWSYKSKIWIGNB-LLVKDONJSA-N -1 1 395.387 0.947 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnn(C)c1-n1cccc1 ZINC000825934358 608211639 /nfs/dbraw/zinc/21/16/39/608211639.db2.gz NZVIQKRNEKGNQP-UHFFFAOYSA-N -1 1 395.431 0.401 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnn(C)c1-n1cccc1 ZINC000825934358 608211641 /nfs/dbraw/zinc/21/16/41/608211641.db2.gz NZVIQKRNEKGNQP-UHFFFAOYSA-N -1 1 395.431 0.401 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000825923602 608211682 /nfs/dbraw/zinc/21/16/82/608211682.db2.gz OBNULYBJNAWGNM-ZDUSSCGKSA-N -1 1 386.391 0.706 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000825923602 608211683 /nfs/dbraw/zinc/21/16/83/608211683.db2.gz OBNULYBJNAWGNM-ZDUSSCGKSA-N -1 1 386.391 0.706 20 0 GCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826295267 608230738 /nfs/dbraw/zinc/23/07/38/608230738.db2.gz ZNZZUGUEZUUJCU-OAHLLOKOSA-N -1 1 395.423 0.522 20 0 GCADMM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826060817 608239913 /nfs/dbraw/zinc/23/99/13/608239913.db2.gz UBRJGMVAOHMFJY-WCBMZHEXSA-N -1 1 384.849 0.713 20 0 GCADMM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826060817 608239915 /nfs/dbraw/zinc/23/99/15/608239915.db2.gz UBRJGMVAOHMFJY-WCBMZHEXSA-N -1 1 384.849 0.713 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CC1CCC1 ZINC000824999163 608245338 /nfs/dbraw/zinc/24/53/38/608245338.db2.gz DEBXXIFNSUKLJR-LLVKDONJSA-N -1 1 378.462 0.297 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CC1CCC1 ZINC000824999163 608245340 /nfs/dbraw/zinc/24/53/40/608245340.db2.gz DEBXXIFNSUKLJR-LLVKDONJSA-N -1 1 378.462 0.297 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CC1CCC1 ZINC000824999164 608245572 /nfs/dbraw/zinc/24/55/72/608245572.db2.gz DEBXXIFNSUKLJR-NSHDSACASA-N -1 1 378.462 0.297 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CC1CCC1 ZINC000824999164 608245574 /nfs/dbraw/zinc/24/55/74/608245574.db2.gz DEBXXIFNSUKLJR-NSHDSACASA-N -1 1 378.462 0.297 20 0 GCADMM COC[C@@H](O)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826151914 608245774 /nfs/dbraw/zinc/24/57/74/608245774.db2.gz MIGIQITWTZHDAF-JTQLQIEISA-N -1 1 378.458 0.988 20 0 GCADMM COc1ccc(COCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826206784 608247834 /nfs/dbraw/zinc/24/78/34/608247834.db2.gz LCISCYDGMFJYTP-UHFFFAOYSA-N -1 1 390.425 0.765 20 0 GCADMM COc1ccc(COCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826206784 608247835 /nfs/dbraw/zinc/24/78/35/608247835.db2.gz LCISCYDGMFJYTP-UHFFFAOYSA-N -1 1 390.425 0.765 20 0 GCADMM C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824058773 608250194 /nfs/dbraw/zinc/25/01/94/608250194.db2.gz BRITTZYTRUBVMU-ZCFIWIBFSA-N -1 1 378.336 0.380 20 0 GCADMM COc1cc(Br)cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826176969 608250423 /nfs/dbraw/zinc/25/04/23/608250423.db2.gz MBBXYKYYICAZJI-UHFFFAOYSA-N -1 1 379.178 0.868 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NCCc2nnnn2C)c1-c1nn[n-]n1 ZINC000826231760 608258684 /nfs/dbraw/zinc/25/86/84/608258684.db2.gz YLWCEHMRJCXWIH-UHFFFAOYSA-N -1 1 386.445 0.357 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc(C3CC3)cc2)c1-c1nnn[n-]1 ZINC000826394846 608259727 /nfs/dbraw/zinc/25/97/27/608259727.db2.gz BFXMFSDZYKGDDY-UHFFFAOYSA-N -1 1 395.427 0.737 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc(C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826394846 608259728 /nfs/dbraw/zinc/25/97/28/608259728.db2.gz BFXMFSDZYKGDDY-UHFFFAOYSA-N -1 1 395.427 0.737 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(NCc3ccc(-c4nnn[n-]4)o3)cn2)C[C@@H](C)O1 ZINC000824967478 608308109 /nfs/dbraw/zinc/30/81/09/608308109.db2.gz KNEMUQAWZKGLSV-VXGBXAGGSA-N -1 1 386.416 0.904 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(NCc3ccc(-c4nn[n-]n4)o3)cn2)C[C@@H](C)O1 ZINC000824967478 608308111 /nfs/dbraw/zinc/30/81/11/608308111.db2.gz KNEMUQAWZKGLSV-VXGBXAGGSA-N -1 1 386.416 0.904 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)n1 ZINC000826357661 608309579 /nfs/dbraw/zinc/30/95/79/608309579.db2.gz MZRZQCRCPARELD-UHFFFAOYSA-N -1 1 381.331 0.538 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)n1 ZINC000826357661 608309581 /nfs/dbraw/zinc/30/95/81/608309581.db2.gz MZRZQCRCPARELD-UHFFFAOYSA-N -1 1 381.331 0.538 20 0 GCADMM Cc1nn(-c2ccccc2)c(CN2CCN3C(=O)OC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826332605 608317463 /nfs/dbraw/zinc/31/74/63/608317463.db2.gz ZFOSSLDJTZECOB-CQSZACIVSA-N -1 1 380.412 0.997 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCCn2cccn2)n1 ZINC000824148421 608340105 /nfs/dbraw/zinc/34/01/05/608340105.db2.gz UIJYAJGLSYNAND-UHFFFAOYSA-N -1 1 386.420 0.160 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCCn2cccn2)n1 ZINC000824148421 608340108 /nfs/dbraw/zinc/34/01/08/608340108.db2.gz UIJYAJGLSYNAND-UHFFFAOYSA-N -1 1 386.420 0.160 20 0 GCADMM C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824464763 608340277 /nfs/dbraw/zinc/34/02/77/608340277.db2.gz JUDRODOLDMGMOL-SNVBAGLBSA-N -1 1 386.420 0.158 20 0 GCADMM C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824464763 608340279 /nfs/dbraw/zinc/34/02/79/608340279.db2.gz JUDRODOLDMGMOL-SNVBAGLBSA-N -1 1 386.420 0.158 20 0 GCADMM CN(CCc1ccccn1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825946388 608341000 /nfs/dbraw/zinc/34/10/00/608341000.db2.gz WBPOSHPPBDGKEX-UHFFFAOYSA-N -1 1 397.443 0.853 20 0 GCADMM CN(CCc1ccccn1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825946388 608341002 /nfs/dbraw/zinc/34/10/02/608341002.db2.gz WBPOSHPPBDGKEX-UHFFFAOYSA-N -1 1 397.443 0.853 20 0 GCADMM O=S(=O)(N[C@H]1CCCCC12OCCO2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488296 608341280 /nfs/dbraw/zinc/34/12/80/608341280.db2.gz MJWAWCBZLXDENS-ZDUSSCGKSA-N -1 1 383.405 0.970 20 0 GCADMM C[C@](O)(C[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(F)(F)F ZINC000824670612 608341792 /nfs/dbraw/zinc/34/17/92/608341792.db2.gz SIDJFGPDCDQXSF-NSHDSACASA-N -1 1 383.327 0.739 20 0 GCADMM CCC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1CCOC ZINC000825260131 608342398 /nfs/dbraw/zinc/34/23/98/608342398.db2.gz NFPOTESREGTOJZ-ZDUSSCGKSA-N -1 1 395.489 0.383 20 0 GCADMM CCC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1CCOC ZINC000825260131 608342400 /nfs/dbraw/zinc/34/24/00/608342400.db2.gz NFPOTESREGTOJZ-ZDUSSCGKSA-N -1 1 395.489 0.383 20 0 GCADMM CC(C)(C)c1cc(NC(=O)CN2CCS(=O)(=O)CC2)c(-c2nnn[n-]2)s1 ZINC000824130489 608349107 /nfs/dbraw/zinc/34/91/07/608349107.db2.gz KZLMLKCAYAJDDT-UHFFFAOYSA-N -1 1 398.514 0.895 20 0 GCADMM CC(C)(C)c1cc(NC(=O)CN2CCS(=O)(=O)CC2)c(-c2nn[n-]n2)s1 ZINC000824130489 608349109 /nfs/dbraw/zinc/34/91/09/608349109.db2.gz KZLMLKCAYAJDDT-UHFFFAOYSA-N -1 1 398.514 0.895 20 0 GCADMM CN(C[C@H]1CCCOC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825907846 608353435 /nfs/dbraw/zinc/35/34/35/608353435.db2.gz CBCYRNCPQNMUSK-LLVKDONJSA-N -1 1 390.448 0.642 20 0 GCADMM CN(C[C@H]1CCCOC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825907846 608353437 /nfs/dbraw/zinc/35/34/37/608353437.db2.gz CBCYRNCPQNMUSK-LLVKDONJSA-N -1 1 390.448 0.642 20 0 GCADMM CCCCCN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825276103 608353757 /nfs/dbraw/zinc/35/37/57/608353757.db2.gz PQUURVDYVRBIOC-UHFFFAOYSA-N -1 1 392.464 0.768 20 0 GCADMM CCCCCN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825276103 608353759 /nfs/dbraw/zinc/35/37/59/608353759.db2.gz PQUURVDYVRBIOC-UHFFFAOYSA-N -1 1 392.464 0.768 20 0 GCADMM CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825061455 608353806 /nfs/dbraw/zinc/35/38/06/608353806.db2.gz XOOZKEFSMFIEOW-ONGXEEELSA-N -1 1 378.437 0.280 20 0 GCADMM CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825061455 608353808 /nfs/dbraw/zinc/35/38/08/608353808.db2.gz XOOZKEFSMFIEOW-ONGXEEELSA-N -1 1 378.437 0.280 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@H](CCO)C2)n1 ZINC000824142483 608353974 /nfs/dbraw/zinc/35/39/74/608353974.db2.gz UYIIVECHDBEODU-LLVKDONJSA-N -1 1 390.448 0.378 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@H](CCO)C2)n1 ZINC000824142483 608353976 /nfs/dbraw/zinc/35/39/76/608353976.db2.gz UYIIVECHDBEODU-LLVKDONJSA-N -1 1 390.448 0.378 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H](O)C2)n1 ZINC000824147421 608354023 /nfs/dbraw/zinc/35/40/23/608354023.db2.gz CEPHBTCIVLUKCF-WDEREUQCSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H](O)C2)n1 ZINC000824147421 608354025 /nfs/dbraw/zinc/35/40/25/608354025.db2.gz CEPHBTCIVLUKCF-WDEREUQCSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)n1 ZINC000824148337 608354053 /nfs/dbraw/zinc/35/40/53/608354053.db2.gz QVRRGFRSZHFZHO-QWRGUYRKSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)n1 ZINC000824148337 608354054 /nfs/dbraw/zinc/35/40/54/608354054.db2.gz QVRRGFRSZHFZHO-QWRGUYRKSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCC[C@H]2O)n1 ZINC000824147278 608354276 /nfs/dbraw/zinc/35/42/76/608354276.db2.gz BIOGWXBZNLMZKF-MWLCHTKSSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCC[C@H]2O)n1 ZINC000824147278 608354278 /nfs/dbraw/zinc/35/42/78/608354278.db2.gz BIOGWXBZNLMZKF-MWLCHTKSSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@]2(C)CCCO2)n1 ZINC000824824220 608355987 /nfs/dbraw/zinc/35/59/87/608355987.db2.gz RWPKQJUYOSQTSW-MRXNPFEDSA-N -1 1 376.421 0.442 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@]2(C)CCCO2)n1 ZINC000824824220 608355989 /nfs/dbraw/zinc/35/59/89/608355989.db2.gz RWPKQJUYOSQTSW-MRXNPFEDSA-N -1 1 376.421 0.442 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CCOCC1 ZINC000824469866 608357664 /nfs/dbraw/zinc/35/76/64/608357664.db2.gz DITUBHYQBNRFAV-SNVBAGLBSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CCOCC1 ZINC000824469866 608357666 /nfs/dbraw/zinc/35/76/66/608357666.db2.gz DITUBHYQBNRFAV-SNVBAGLBSA-N -1 1 390.448 0.688 20 0 GCADMM C[C@H]1CC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824885069 608357967 /nfs/dbraw/zinc/35/79/67/608357967.db2.gz RBAUTSYDLDGYTQ-UWVGGRQHSA-N -1 1 390.448 0.829 20 0 GCADMM C[C@H]1CC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824885069 608357968 /nfs/dbraw/zinc/35/79/68/608357968.db2.gz RBAUTSYDLDGYTQ-UWVGGRQHSA-N -1 1 390.448 0.829 20 0 GCADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)nn1 ZINC000825394469 608389728 /nfs/dbraw/zinc/38/97/28/608389728.db2.gz DRZBWGRQBWRNAU-UHFFFAOYSA-N -1 1 382.384 0.893 20 0 GCADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)nn1 ZINC000825394469 608389730 /nfs/dbraw/zinc/38/97/30/608389730.db2.gz DRZBWGRQBWRNAU-UHFFFAOYSA-N -1 1 382.384 0.893 20 0 GCADMM c1ccc(OCCN2CCOCC2)c(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826522947 608407966 /nfs/dbraw/zinc/40/79/66/608407966.db2.gz UPORXXKAOFYKFD-UHFFFAOYSA-N -1 1 382.428 0.980 20 0 GCADMM CC(=O)N1CCN(c2ccccc2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000823982269 608409061 /nfs/dbraw/zinc/40/90/61/608409061.db2.gz YJYLXJYNSNDPIU-UHFFFAOYSA-N -1 1 379.428 0.937 20 0 GCADMM CC(=O)N1CCN(c2ccccc2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000823982269 608409064 /nfs/dbraw/zinc/40/90/64/608409064.db2.gz YJYLXJYNSNDPIU-UHFFFAOYSA-N -1 1 379.428 0.937 20 0 GCADMM CS(=O)(=O)c1ccccc1-n1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000826224106 608415561 /nfs/dbraw/zinc/41/55/61/608415561.db2.gz OPFIYGJYVRHWLX-UHFFFAOYSA-N -1 1 383.397 0.990 20 0 GCADMM CS(=O)(=O)c1ccccc1-n1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000826224106 608415563 /nfs/dbraw/zinc/41/55/63/608415563.db2.gz OPFIYGJYVRHWLX-UHFFFAOYSA-N -1 1 383.397 0.990 20 0 GCADMM CN(CC(=O)Nc1ccc(Br)cn1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825892019 608434738 /nfs/dbraw/zinc/43/47/38/608434738.db2.gz BXVSLRSDHBGICD-UHFFFAOYSA-N -1 1 390.205 0.889 20 0 GCADMM CN(CC(=O)Nc1ccc(Br)cn1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825892019 608434739 /nfs/dbraw/zinc/43/47/39/608434739.db2.gz BXVSLRSDHBGICD-UHFFFAOYSA-N -1 1 390.205 0.889 20 0 GCADMM Cc1cc(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)c(C)s1 ZINC000826272524 608435802 /nfs/dbraw/zinc/43/58/02/608435802.db2.gz OGRINORCSBHWAO-UHFFFAOYSA-N -1 1 380.459 0.725 20 0 GCADMM Cc1cc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)c(C)s1 ZINC000826272524 608435804 /nfs/dbraw/zinc/43/58/04/608435804.db2.gz OGRINORCSBHWAO-UHFFFAOYSA-N -1 1 380.459 0.725 20 0 GCADMM NC(=O)CCC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826390446 608448296 /nfs/dbraw/zinc/44/82/96/608448296.db2.gz AHDRVVHJOMWIBD-UHFFFAOYSA-N -1 1 382.421 0.672 20 0 GCADMM CCc1ccnc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000825728761 608469072 /nfs/dbraw/zinc/46/90/72/608469072.db2.gz YRWVKZZFIFIDOR-GFCCVEGCSA-N -1 1 379.428 0.965 20 0 GCADMM CCc1ccnc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000825728761 608469074 /nfs/dbraw/zinc/46/90/74/608469074.db2.gz YRWVKZZFIFIDOR-GFCCVEGCSA-N -1 1 379.428 0.965 20 0 GCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000826280892 608542658 /nfs/dbraw/zinc/54/26/58/608542658.db2.gz UWUGEMNPUPSYBO-INIZCTEOSA-N -1 1 378.440 0.919 20 0 GCADMM Cc1cc(N2CCN(c3nc(-c4nnn[n-]4)ccc3C)CC2)n2ncnc2n1 ZINC000826269139 608544493 /nfs/dbraw/zinc/54/44/93/608544493.db2.gz BHMFVWNROAUWSZ-UHFFFAOYSA-N -1 1 377.416 0.643 20 0 GCADMM Cc1cc(N2CCN(c3nc(-c4nn[n-]n4)ccc3C)CC2)n2ncnc2n1 ZINC000826269139 608544495 /nfs/dbraw/zinc/54/44/95/608544495.db2.gz BHMFVWNROAUWSZ-UHFFFAOYSA-N -1 1 377.416 0.643 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000825933288 608555048 /nfs/dbraw/zinc/55/50/48/608555048.db2.gz AQGMDRSUBDLIMJ-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000825933288 608555049 /nfs/dbraw/zinc/55/50/49/608555049.db2.gz AQGMDRSUBDLIMJ-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CC(C)CS(=O)(=O)CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824272419 608556272 /nfs/dbraw/zinc/55/62/72/608556272.db2.gz XLHNTMZWIWWWRY-UHFFFAOYSA-N -1 1 398.493 0.024 20 0 GCADMM CC(C)CS(=O)(=O)CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824272419 608556274 /nfs/dbraw/zinc/55/62/74/608556274.db2.gz XLHNTMZWIWWWRY-UHFFFAOYSA-N -1 1 398.493 0.024 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(NC2CC2)nc1 ZINC000825934251 608556685 /nfs/dbraw/zinc/55/66/85/608556685.db2.gz LHHPKXCVWAZPSP-UHFFFAOYSA-N -1 1 382.432 0.846 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(NC2CC2)nc1 ZINC000825934251 608556686 /nfs/dbraw/zinc/55/66/86/608556686.db2.gz LHHPKXCVWAZPSP-UHFFFAOYSA-N -1 1 382.432 0.846 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CN1Cc2ccccc2C1=O ZINC000825930064 608556940 /nfs/dbraw/zinc/55/69/40/608556940.db2.gz PAKKZAHPSWVXRG-UHFFFAOYSA-N -1 1 395.427 0.219 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CN1Cc2ccccc2C1=O ZINC000825930064 608556942 /nfs/dbraw/zinc/55/69/42/608556942.db2.gz PAKKZAHPSWVXRG-UHFFFAOYSA-N -1 1 395.427 0.219 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@H]1CSCCS1 ZINC000825923616 608557042 /nfs/dbraw/zinc/55/70/42/608557042.db2.gz OUVKSEZUODJIFC-VIFPVBQESA-N -1 1 382.519 0.802 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@H]1CSCCS1 ZINC000825923616 608557043 /nfs/dbraw/zinc/55/70/43/608557043.db2.gz OUVKSEZUODJIFC-VIFPVBQESA-N -1 1 382.519 0.802 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1c[nH]nc1-c1ccncc1 ZINC000825929131 608558193 /nfs/dbraw/zinc/55/81/93/608558193.db2.gz BCNAABHRIDUEJV-UHFFFAOYSA-N -1 1 393.415 0.662 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c[nH]nc1-c1ccncc1 ZINC000825929131 608558194 /nfs/dbraw/zinc/55/81/94/608558194.db2.gz BCNAABHRIDUEJV-UHFFFAOYSA-N -1 1 393.415 0.662 20 0 GCADMM CCc1nn(C)c(Cl)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825760011 608560381 /nfs/dbraw/zinc/56/03/81/608560381.db2.gz RWOLGOXEILJWDE-UHFFFAOYSA-N -1 1 392.855 0.826 20 0 GCADMM CCc1nn(C)c(Cl)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825760011 608560383 /nfs/dbraw/zinc/56/03/83/608560383.db2.gz RWOLGOXEILJWDE-UHFFFAOYSA-N -1 1 392.855 0.826 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnn(C)c1C(F)(F)F ZINC000825935214 608560634 /nfs/dbraw/zinc/56/06/34/608560634.db2.gz XBDKNJZAJPFOKW-UHFFFAOYSA-N -1 1 398.353 0.629 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnn(C)c1C(F)(F)F ZINC000825935214 608560635 /nfs/dbraw/zinc/56/06/35/608560635.db2.gz XBDKNJZAJPFOKW-UHFFFAOYSA-N -1 1 398.353 0.629 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)C(C)(C)F)CC2)o1 ZINC000826322937 608568615 /nfs/dbraw/zinc/56/86/15/608568615.db2.gz HYUPSFAIJDNRRO-UHFFFAOYSA-N -1 1 381.368 0.103 20 0 GCADMM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826104230 608892969 /nfs/dbraw/zinc/89/29/69/608892969.db2.gz SELSMVYTGIYMKE-AWEZNQCLSA-N -1 1 394.395 0.445 20 0 GCADMM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826104230 608892971 /nfs/dbraw/zinc/89/29/71/608892971.db2.gz SELSMVYTGIYMKE-AWEZNQCLSA-N -1 1 394.395 0.445 20 0 GCADMM CCCc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n(C)n1 ZINC000825348437 609162884 /nfs/dbraw/zinc/16/28/84/609162884.db2.gz KQSHAVUFUHPKBC-UHFFFAOYSA-N -1 1 387.452 0.955 20 0 GCADMM CCCc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n(C)n1 ZINC000825348437 609162885 /nfs/dbraw/zinc/16/28/85/609162885.db2.gz KQSHAVUFUHPKBC-UHFFFAOYSA-N -1 1 387.452 0.955 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000826357284 609234824 /nfs/dbraw/zinc/23/48/24/609234824.db2.gz YWGVAIRFBZIPJG-UHFFFAOYSA-N -1 1 392.420 0.565 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000826357284 609234825 /nfs/dbraw/zinc/23/48/25/609234825.db2.gz YWGVAIRFBZIPJG-UHFFFAOYSA-N -1 1 392.420 0.565 20 0 GCADMM CC[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)N1CCCC1=O ZINC000825040045 609235831 /nfs/dbraw/zinc/23/58/31/609235831.db2.gz YKHFGYCWXMITHJ-CHWSQXEVSA-N -1 1 399.459 0.095 20 0 GCADMM CC[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)N1CCCC1=O ZINC000825040045 609235832 /nfs/dbraw/zinc/23/58/32/609235832.db2.gz YKHFGYCWXMITHJ-CHWSQXEVSA-N -1 1 399.459 0.095 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826221752 609235875 /nfs/dbraw/zinc/23/58/75/609235875.db2.gz SUXCKPDXEGDZIK-GFCCVEGCSA-N -1 1 395.427 0.720 20 0 GCADMM COc1nc(C)ccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826221752 609235877 /nfs/dbraw/zinc/23/58/77/609235877.db2.gz SUXCKPDXEGDZIK-GFCCVEGCSA-N -1 1 395.427 0.720 20 0 GCADMM Cc1oc(NC(=O)COC(=O)c2nccn3ccnc23)c(-c2nn[n-]n2)c1C ZINC000826342785 609239204 /nfs/dbraw/zinc/23/92/04/609239204.db2.gz ZUWRDGDKBZMJEW-UHFFFAOYSA-N -1 1 382.340 0.915 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NCCNC(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826231245 609262475 /nfs/dbraw/zinc/26/24/75/609262475.db2.gz DBAPJOHTMNZJKT-UHFFFAOYSA-N -1 1 390.473 0.862 20 0 GCADMM COCc1noc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000826166229 609272834 /nfs/dbraw/zinc/27/28/34/609272834.db2.gz ZSKAZJCXPNJQEA-UHFFFAOYSA-N -1 1 387.404 0.584 20 0 GCADMM C[C@@H]1CN(C(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824967195 609279078 /nfs/dbraw/zinc/27/90/78/609279078.db2.gz HUFXFXFZHNEUOA-LLVKDONJSA-N -1 1 386.391 0.851 20 0 GCADMM CN1CC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1=O ZINC000826022421 609286922 /nfs/dbraw/zinc/28/69/22/609286922.db2.gz MTWGKCNLWBWCCX-SNVBAGLBSA-N -1 1 384.375 0.998 20 0 GCADMM Cn1cc(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826358427 609291259 /nfs/dbraw/zinc/29/12/59/609291259.db2.gz TUMNMKNITUZFCL-UHFFFAOYSA-N -1 1 381.331 0.746 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2nnnn2c1 ZINC000826458494 609293564 /nfs/dbraw/zinc/29/35/64/609293564.db2.gz RUWDBDDJIUJFTI-UHFFFAOYSA-N -1 1 391.330 0.882 20 0 GCADMM CCOC(=O)CN(C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CC1 ZINC000825511700 609298488 /nfs/dbraw/zinc/29/84/88/609298488.db2.gz BGGVJJJFBZMDJG-UHFFFAOYSA-N -1 1 378.414 0.857 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCOc1ccccc1 ZINC000825929522 609299269 /nfs/dbraw/zinc/29/92/69/609299269.db2.gz HIYNRYWZGYFQKH-UHFFFAOYSA-N -1 1 385.432 0.825 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCOc1ccccc1 ZINC000825929522 609299270 /nfs/dbraw/zinc/29/92/70/609299270.db2.gz HIYNRYWZGYFQKH-UHFFFAOYSA-N -1 1 385.432 0.825 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@](C)(C(N)=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826229342 609301379 /nfs/dbraw/zinc/30/13/79/609301379.db2.gz APRGLQRCOFAWGA-KRWDZBQOSA-N -1 1 399.436 0.820 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1nccs1 ZINC000825929835 609302761 /nfs/dbraw/zinc/30/27/61/609302761.db2.gz LKCLSDXOGGFOJC-UHFFFAOYSA-N -1 1 376.450 0.445 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1nccs1 ZINC000825929835 609302763 /nfs/dbraw/zinc/30/27/63/609302763.db2.gz LKCLSDXOGGFOJC-UHFFFAOYSA-N -1 1 376.450 0.445 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000825929180 609304070 /nfs/dbraw/zinc/30/40/70/609304070.db2.gz CDXKQOXNPSKZET-BIMULSAOSA-N -1 1 389.464 0.560 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000825929180 609304071 /nfs/dbraw/zinc/30/40/71/609304071.db2.gz CDXKQOXNPSKZET-BIMULSAOSA-N -1 1 389.464 0.560 20 0 GCADMM CO[C@@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1(C)C ZINC000826144969 609305246 /nfs/dbraw/zinc/30/52/46/609305246.db2.gz WUZMIHKJIHAZRP-GHMZBOCLSA-N -1 1 377.453 0.560 20 0 GCADMM CO[C@@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1(C)C ZINC000826144969 609305248 /nfs/dbraw/zinc/30/52/48/609305248.db2.gz WUZMIHKJIHAZRP-GHMZBOCLSA-N -1 1 377.453 0.560 20 0 GCADMM CCOC(=O)C[C@@H](C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825499391 609309137 /nfs/dbraw/zinc/30/91/37/609309137.db2.gz MEENPRMIFOHJHL-SNVBAGLBSA-N -1 1 393.452 0.335 20 0 GCADMM CCOC(=O)C[C@@H](C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825499391 609309139 /nfs/dbraw/zinc/30/91/39/609309139.db2.gz MEENPRMIFOHJHL-SNVBAGLBSA-N -1 1 393.452 0.335 20 0 GCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824402956 609309489 /nfs/dbraw/zinc/30/94/89/609309489.db2.gz ZGQZBYZJFDIQGB-QWRGUYRKSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824402956 609309491 /nfs/dbraw/zinc/30/94/91/609309491.db2.gz ZGQZBYZJFDIQGB-QWRGUYRKSA-N -1 1 377.453 0.561 20 0 GCADMM CO[C@H]1CCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826145509 609310007 /nfs/dbraw/zinc/31/00/07/609310007.db2.gz HSQUBOXVLJUTJH-JQWIXIFHSA-N -1 1 377.453 0.561 20 0 GCADMM CO[C@H]1CCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826145509 609310009 /nfs/dbraw/zinc/31/00/09/609310009.db2.gz HSQUBOXVLJUTJH-JQWIXIFHSA-N -1 1 377.453 0.561 20 0 GCADMM COCCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCC1 ZINC000826155419 609310202 /nfs/dbraw/zinc/31/02/02/609310202.db2.gz PMQRCTRVKYBVNC-UHFFFAOYSA-N -1 1 391.480 0.953 20 0 GCADMM COCCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCC1 ZINC000826155419 609310205 /nfs/dbraw/zinc/31/02/05/609310205.db2.gz PMQRCTRVKYBVNC-UHFFFAOYSA-N -1 1 391.480 0.953 20 0 GCADMM Cc1cc(C[C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[nH]n1 ZINC000826266421 609310553 /nfs/dbraw/zinc/31/05/53/609310553.db2.gz OEZFKOXEXUMUOJ-VIFPVBQESA-N -1 1 387.452 0.409 20 0 GCADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H](O)C1CCOCC1 ZINC000826458660 609314404 /nfs/dbraw/zinc/31/44/04/609314404.db2.gz ZWPWSVHWKHCZOO-OAHLLOKOSA-N -1 1 387.375 0.918 20 0 GCADMM CCC(CC)[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000825106827 609322000 /nfs/dbraw/zinc/32/20/00/609322000.db2.gz JGHXIRFVUFIAHG-VXGBXAGGSA-N -1 1 377.449 0.660 20 0 GCADMM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826128479 609328678 /nfs/dbraw/zinc/32/86/78/609328678.db2.gz DOMUESPLSYQBPO-CMPLNLGQSA-N -1 1 399.404 0.347 20 0 GCADMM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826129388 609329147 /nfs/dbraw/zinc/32/91/47/609329147.db2.gz QETZADBLUTUCGB-ONGXEEELSA-N -1 1 399.404 0.347 20 0 GCADMM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826129388 609329149 /nfs/dbraw/zinc/32/91/49/609329149.db2.gz QETZADBLUTUCGB-ONGXEEELSA-N -1 1 399.404 0.347 20 0 GCADMM CCc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C ZINC000825700633 609347849 /nfs/dbraw/zinc/34/78/49/609347849.db2.gz NCRRPTDDIOKMMI-UHFFFAOYSA-N -1 1 397.443 0.730 20 0 GCADMM CCc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C ZINC000825700633 609347850 /nfs/dbraw/zinc/34/78/50/609347850.db2.gz NCRRPTDDIOKMMI-UHFFFAOYSA-N -1 1 397.443 0.730 20 0 GCADMM CCOCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825599638 609354021 /nfs/dbraw/zinc/35/40/21/609354021.db2.gz OOVNFCVSDBUNCN-UHFFFAOYSA-N -1 1 388.363 0.283 20 0 GCADMM O=C(NCCNC(=O)C1CC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826437196 609358905 /nfs/dbraw/zinc/35/89/05/609358905.db2.gz ABJLHIHCWGLODT-UHFFFAOYSA-N -1 1 399.390 0.839 20 0 GCADMM CC(=O)NCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823995043 609360000 /nfs/dbraw/zinc/36/00/00/609360000.db2.gz YBAOWTVPDKWYIN-UHFFFAOYSA-N -1 1 387.379 0.839 20 0 GCADMM C[C@@H]1C(=O)NCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824859910 609360786 /nfs/dbraw/zinc/36/07/86/609360786.db2.gz RUTYXLKOEAXTQG-SECBINFHSA-N -1 1 385.363 0.544 20 0 GCADMM CN1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1=O ZINC000826038346 609363967 /nfs/dbraw/zinc/36/39/67/609363967.db2.gz KQIVPZQVRHRYPV-UHFFFAOYSA-N -1 1 385.363 0.497 20 0 GCADMM COC[C@H](CCO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826149725 609364571 /nfs/dbraw/zinc/36/45/71/609364571.db2.gz NNGUCWYWPWBAQX-JTQLQIEISA-N -1 1 390.379 0.710 20 0 GCADMM C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824945743 609365814 /nfs/dbraw/zinc/36/58/14/609365814.db2.gz FJKMDCWHSZGILE-JTQLQIEISA-N -1 1 384.375 0.998 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CC[C@@H](C)[C@H](F)C3)CC2)o1 ZINC000826322757 609374763 /nfs/dbraw/zinc/37/47/63/609374763.db2.gz ALSFHCBGCBHVKL-DGCLKSJQSA-N -1 1 392.439 0.492 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N(C)C2(C(N)=O)CCCC2)cc1-c1nn[n-]n1 ZINC000826229623 609391197 /nfs/dbraw/zinc/39/11/97/609391197.db2.gz LBPHDNBJWDSKRW-UHFFFAOYSA-N -1 1 377.430 0.559 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000826340653 609393591 /nfs/dbraw/zinc/39/35/91/609393591.db2.gz GQBIPMUNKZKOEC-LBPRGKRZSA-N -1 1 382.384 0.756 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000826340653 609393594 /nfs/dbraw/zinc/39/35/94/609393594.db2.gz GQBIPMUNKZKOEC-LBPRGKRZSA-N -1 1 382.384 0.756 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)CC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826229607 609406439 /nfs/dbraw/zinc/40/64/39/609406439.db2.gz KRIWEXFPLUTYLT-RXMQYKEDSA-N -1 1 378.336 0.732 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1CC2(CCCC2)OC1=O ZINC000824999815 609424972 /nfs/dbraw/zinc/42/49/72/609424972.db2.gz KIKPIEVWJFREGT-CYBMUJFWSA-N -1 1 399.459 0.890 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1CC2(CCCC2)OC1=O ZINC000824999815 609424973 /nfs/dbraw/zinc/42/49/73/609424973.db2.gz KIKPIEVWJFREGT-CYBMUJFWSA-N -1 1 399.459 0.890 20 0 GCADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826280662 609450970 /nfs/dbraw/zinc/45/09/70/609450970.db2.gz LEHFPTHJNWCHRS-UHFFFAOYSA-N -1 1 383.397 0.952 20 0 GCADMM Cn1cnn(CC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1=O ZINC000826365506 609465829 /nfs/dbraw/zinc/46/58/29/609465829.db2.gz QLJGLRFVXLXJSW-UHFFFAOYSA-N -1 1 396.436 0.807 20 0 GCADMM CSc1nc(C2CC2)cc(C(=O)NN2CC(=O)N(C)C2=O)c1-c1nn[n-]n1 ZINC000826231487 609468457 /nfs/dbraw/zinc/46/84/57/609468457.db2.gz NJNVSBZYUFMMJO-UHFFFAOYSA-N -1 1 388.413 0.400 20 0 GCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)NCC(=O)OC(C)(C)C ZINC000826294848 609490738 /nfs/dbraw/zinc/49/07/38/609490738.db2.gz GLVOALWTWROAPA-UHFFFAOYSA-N -1 1 399.411 0.343 20 0 GCADMM CC(C)c1nc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)no1 ZINC000824359569 609494486 /nfs/dbraw/zinc/49/44/86/609494486.db2.gz WZSXXGTYTGUPPI-JTQLQIEISA-N -1 1 388.392 0.712 20 0 GCADMM CC(C)c1nc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)no1 ZINC000824359569 609494490 /nfs/dbraw/zinc/49/44/90/609494490.db2.gz WZSXXGTYTGUPPI-JTQLQIEISA-N -1 1 388.392 0.712 20 0 GCADMM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000826337285 609497752 /nfs/dbraw/zinc/49/77/52/609497752.db2.gz JDNKCROUUDYOFO-SNVBAGLBSA-N -1 1 378.393 0.199 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cncc(O)c1 ZINC000824999206 609501125 /nfs/dbraw/zinc/50/11/25/609501125.db2.gz DWAHGLGPDDLBAZ-DLGQBQFBSA-N -1 1 393.411 0.508 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cncc(O)c1 ZINC000824999206 609501128 /nfs/dbraw/zinc/50/11/28/609501128.db2.gz DWAHGLGPDDLBAZ-DLGQBQFBSA-N -1 1 393.411 0.508 20 0 GCADMM Cc1onc(CC(=O)N2CCO[C@@H](c3noc(C(C)C)n3)C2)c1-c1nnn[n-]1 ZINC000826344300 609503479 /nfs/dbraw/zinc/50/34/79/609503479.db2.gz CXMVSCNDBSPSMW-LLVKDONJSA-N -1 1 388.388 0.812 20 0 GCADMM Cc1onc(CC(=O)N2CCO[C@@H](c3noc(C(C)C)n3)C2)c1-c1nn[n-]n1 ZINC000826344300 609503481 /nfs/dbraw/zinc/50/34/81/609503481.db2.gz CXMVSCNDBSPSMW-LLVKDONJSA-N -1 1 388.388 0.812 20 0 GCADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000826178775 609528306 /nfs/dbraw/zinc/52/83/06/609528306.db2.gz MADWNNMTILYOCG-UHFFFAOYSA-N -1 1 396.820 0.933 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2cc(F)c(F)c(F)c2)n(C)c1=O ZINC000826355843 609571718 /nfs/dbraw/zinc/57/17/18/609571718.db2.gz PKKWFIVOGBQGRD-UHFFFAOYSA-N -1 1 381.318 0.336 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2/C=C/c2ccccc2)n(C)c1=O ZINC000826355900 609579870 /nfs/dbraw/zinc/57/98/70/609579870.db2.gz ROUPLKZYCRDDQN-PLSXKVAHSA-N -1 1 379.424 0.946 20 0 GCADMM COc1ccc2c(c1)CC[C@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC000826212354 609590796 /nfs/dbraw/zinc/59/07/96/609590796.db2.gz NTYXTQSFGDLSJS-LBPRGKRZSA-N -1 1 383.412 0.242 20 0 GCADMM Cc1nc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1[C@H](C)O ZINC000826326168 609609412 /nfs/dbraw/zinc/60/94/12/609609412.db2.gz DLSDPXSJPKUIEV-JTQLQIEISA-N -1 1 375.414 0.497 20 0 GCADMM Cc1nc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1[C@H](C)O ZINC000826326168 609609413 /nfs/dbraw/zinc/60/94/13/609609413.db2.gz DLSDPXSJPKUIEV-JTQLQIEISA-N -1 1 375.414 0.497 20 0 GCADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C(=O)OC)C1 ZINC000826133216 609624447 /nfs/dbraw/zinc/62/44/47/609624447.db2.gz KIMUAOLTZFYZGM-RKDXNWHRSA-N -1 1 379.398 0.495 20 0 GCADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C(=O)OC)C1 ZINC000826133216 609624449 /nfs/dbraw/zinc/62/44/49/609624449.db2.gz KIMUAOLTZFYZGM-RKDXNWHRSA-N -1 1 379.398 0.495 20 0 GCADMM CCN1C[C@@H](S(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)CC1=O ZINC000866839936 638428646 /nfs/dbraw/zinc/42/86/46/638428646.db2.gz QWQGVLVIMIXGAY-JSGCOSHPSA-N -1 1 380.388 0.977 20 0 GCADMM CCNS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000068470679 638490820 /nfs/dbraw/zinc/49/08/20/638490820.db2.gz HOQFAMMNQWAFCP-UHFFFAOYSA-N -1 1 381.476 0.026 20 0 GCADMM CC(C)(C)NC(=O)CNC(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000051695177 638539855 /nfs/dbraw/zinc/53/98/55/638539855.db2.gz IXRBFOLYMKJVQX-UHFFFAOYSA-N -1 1 391.471 0.307 20 0 GCADMM CCC[C@H](NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000262328470 638559237 /nfs/dbraw/zinc/55/92/37/638559237.db2.gz XNSAQTHCRVOOTP-MJBXVCDLSA-N -1 1 376.475 0.024 20 0 GCADMM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)nc3F)C2=O)n(C)n1 ZINC000866886080 638614249 /nfs/dbraw/zinc/61/42/49/638614249.db2.gz QXWSFCJAGRDZTD-SECBINFHSA-N -1 1 387.824 1.000 20 0 GCADMM CS(=O)(=O)NCCNC(=S)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000727071874 638732563 /nfs/dbraw/zinc/73/25/63/638732563.db2.gz IBUKALAZKXDGOM-UHFFFAOYSA-N -1 1 385.511 0.711 20 0 GCADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)cc1C(N)=O ZINC000728184556 639073149 /nfs/dbraw/zinc/07/31/49/639073149.db2.gz IMAWYIJHRJFAQX-UHFFFAOYSA-N -1 1 383.451 0.851 20 0 GCADMM C[C@@H]1COCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349488559 639123256 /nfs/dbraw/zinc/12/32/56/639123256.db2.gz FIYFZHROEQGPAN-ZDUSSCGKSA-N -1 1 377.488 0.512 20 0 GCADMM Cc1nc(S(=O)(=O)[N-]CCN2CCC(O)CC2)c(Br)n1C ZINC000321136844 639143655 /nfs/dbraw/zinc/14/36/55/639143655.db2.gz KASJBDGVSLJZBP-UHFFFAOYSA-N -1 1 381.296 0.226 20 0 GCADMM CO[C@@]1(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)CCS(=O)(=O)C1 ZINC000898440226 639238750 /nfs/dbraw/zinc/23/87/50/639238750.db2.gz YHVRUUJNGSRJRU-BREBYQMCSA-N -1 1 386.392 0.248 20 0 GCADMM O=C(NCCN1CCNC1=O)c1ccc(I)cc1[O-] ZINC000899471559 639260555 /nfs/dbraw/zinc/26/05/55/639260555.db2.gz UVUNNJQNNJZSEI-UHFFFAOYSA-N -1 1 375.166 0.752 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NCC(C)C)o1 ZINC000042264245 639269550 /nfs/dbraw/zinc/26/95/50/639269550.db2.gz QKCMSJSDJHHUCP-VIFPVBQESA-N -1 1 375.403 0.215 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCc3sccc3C2)o1 ZINC000042264243 639269962 /nfs/dbraw/zinc/26/99/62/639269962.db2.gz IGZAXTWLUORLAT-UHFFFAOYSA-N -1 1 384.435 0.991 20 0 GCADMM Cc1c(Br)cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(=O)n1C ZINC000907480281 639388606 /nfs/dbraw/zinc/38/86/06/639388606.db2.gz RNEYAOPSHVSVJF-SNVBAGLBSA-N -1 1 399.274 0.900 20 0 GCADMM O=C(c1ccc(I)cc1[O-])N1[C@H](CO)CC[C@H]1CO ZINC000912223076 639532520 /nfs/dbraw/zinc/53/25/20/639532520.db2.gz FSFMPIQHPGCKBP-UWVGGRQHSA-N -1 1 377.178 0.955 20 0 GCADMM O=C(c1cc(I)ccc1[O-])N1[C@H](CO)CC[C@H]1CO ZINC000912233171 639533215 /nfs/dbraw/zinc/53/32/15/639533215.db2.gz FPEZCSWNUYRSGC-UWVGGRQHSA-N -1 1 377.178 0.955 20 0 GCADMM O=C(c1csc(I)n1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913498961 639580566 /nfs/dbraw/zinc/58/05/66/639580566.db2.gz SIBUDWKEMHYCLG-LURJTMIESA-N -1 1 392.182 0.475 20 0 GCADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)CCNS(C)(=O)=O ZINC000045297824 639589782 /nfs/dbraw/zinc/58/97/82/639589782.db2.gz WMLFOXLAKHCVBQ-UHFFFAOYSA-N -1 1 382.467 0.819 20 0 GCADMM CSc1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@H](C)C2)n1 ZINC000349594181 639618961 /nfs/dbraw/zinc/61/89/61/639618961.db2.gz RVXCJUVIKYDWAH-UWVGGRQHSA-N -1 1 397.548 0.766 20 0 GCADMM Cn1c2c(nc(Br)n2CC(=O)c2ccc([O-])cc2)c(=O)n(C)c1=O ZINC000029972149 639648627 /nfs/dbraw/zinc/64/86/27/639648627.db2.gz KGVUWHKKTPDHQJ-UHFFFAOYSA-N -1 1 393.197 0.785 20 0 GCADMM CN1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2ccc(F)cc2Br)C1=O ZINC000915322523 639780860 /nfs/dbraw/zinc/78/08/60/639780860.db2.gz QSOWLFVJNNJKGU-SNVBAGLBSA-N -1 1 379.207 0.765 20 0 GCADMM O=C(NCc1nn[n-]n1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 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1 391.406 0.301 20 0 GCADMM Cn1ncc(S(=O)(=O)[N-][C@@H](CO)CCF)c1I ZINC000867462297 640066926 /nfs/dbraw/zinc/06/69/26/640066926.db2.gz NQIINRYGVRGLGE-ZCFIWIBFSA-N -1 1 377.179 0.024 20 0 GCADMM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000745098665 640276992 /nfs/dbraw/zinc/27/69/92/640276992.db2.gz DBJOHXDREMSLNL-UHFFFAOYSA-N -1 1 382.419 0.946 20 0 GCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCSC(F)(F)F)o1 ZINC000746130418 640288460 /nfs/dbraw/zinc/28/84/60/640288460.db2.gz RKVDZBVAFKMUBU-UHFFFAOYSA-N -1 1 375.350 0.026 20 0 GCADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@]2(C)CCS(=O)(=O)C2)c1F ZINC000746401567 640292621 /nfs/dbraw/zinc/29/26/21/640292621.db2.gz ZGGUBAWUZHGSHY-CYBMUJFWSA-N -1 1 383.394 0.607 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(N)=O)CCC2)c(Br)o1 ZINC000747902090 640319026 /nfs/dbraw/zinc/31/90/26/640319026.db2.gz IHRFKAORWXRDPW-UHFFFAOYSA-N -1 1 381.204 0.515 20 0 GCADMM Cc1nc(S(=O)(=O)[N-]CCNc2ncccn2)c(Br)n1C ZINC000804971031 640344515 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377.357 0.271 20 0 GCADMM COC(=O)[C@H](F)/C(Nc1ccc2n[nH]cc2c1)=C1\C(=O)[N-]C(=S)NC1=O ZINC000814342105 1205690195 /nfs/dbraw/zinc/69/01/95/1205690195.db2.gz UZDJGPHOIZDTAS-SNVBAGLBSA-N -1 1 377.357 0.271 20 0 GCADMM NS(=O)(=O)N1CCC[C@H](C(=O)OCc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000815261409 1205700013 /nfs/dbraw/zinc/70/00/13/1205700013.db2.gz BKECFZKVFGTMPQ-JTQLQIEISA-N -1 1 382.394 0.457 20 0 GCADMM CC[C@@]1(C)NC(=O)N(CC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)C1=O ZINC001135085227 1205705972 /nfs/dbraw/zinc/70/59/72/1205705972.db2.gz OXPLDNBJUMVVRF-HFBDOXOYSA-N -1 1 392.378 0.622 20 0 GCADMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cnnn1 ZINC001171840676 1205710015 /nfs/dbraw/zinc/71/00/15/1205710015.db2.gz GITVJNNNVSXIQB-QWRGUYRKSA-N -1 1 392.382 0.526 20 0 GCADMM Cc1sccc1Nc1[n-]c(=O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001174459416 1205730660 /nfs/dbraw/zinc/73/06/60/1205730660.db2.gz RZSMSXRVPFVABV-IDTAVKCVSA-N -1 1 379.398 0.257 20 0 GCADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001175213021 1205735996 /nfs/dbraw/zinc/73/59/96/1205735996.db2.gz AWIDFOFUWRMCKT-AWEZNQCLSA-N -1 1 397.435 0.819 20 0 GCADMM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C1=CCN(Cc2ccccc2)CC1 ZINC001175504787 1205738243 /nfs/dbraw/zinc/73/82/43/1205738243.db2.gz JCSBZQYWLQQOHO-UHFFFAOYSA-N -1 1 392.441 0.455 20 0 GCADMM COc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1OC ZINC001175553487 1205739231 /nfs/dbraw/zinc/73/92/31/1205739231.db2.gz WVRNVVXIWOBSCH-LLVKDONJSA-N -1 1 395.441 0.397 20 0 GCADMM O=c1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(NC=CCc2ccccc2)[n-]1 ZINC001176217103 1205744903 /nfs/dbraw/zinc/74/49/03/1205744903.db2.gz ZTFWTVUZRQJLGH-IXLCKQFLSA-N -1 1 399.407 0.312 20 0 GCADMM C[C@H](Cn1cnc2c1ncnc2Nc1cnn(CCO)c1)OC[P@](=O)([O-])O ZINC001176472821 1205748395 /nfs/dbraw/zinc/74/83/95/1205748395.db2.gz YZTMVQVMKZYWMF-SNVBAGLBSA-N -1 1 397.332 0.299 20 0 GCADMM CON(C)S(=O)(=O)c1cccc(C(=O)N(Cc2nn[n-]n2)CC(C)C)c1 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O=C(CCc1cscn1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571263000 945447839 /nfs/dbraw/zinc/44/78/39/945447839.db2.gz FFDXHELDJSMXFY-LLVKDONJSA-N -1 1 385.457 0.571 20 0 GCADMM Cc1nc(CC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001571263118 945449258 /nfs/dbraw/zinc/44/92/58/945449258.db2.gz HWQMJPQINLWMNV-TVQRCGJNSA-N -1 1 385.457 0.923 20 0 GCADMM Cc1nc(CC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001571263118 945449265 /nfs/dbraw/zinc/44/92/65/945449265.db2.gz HWQMJPQINLWMNV-TVQRCGJNSA-N -1 1 385.457 0.923 20 0 GCADMM O=C(Cc1cncs1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571263333 945455429 /nfs/dbraw/zinc/45/54/29/945455429.db2.gz NDZINYJNJCOUQC-LLVKDONJSA-N -1 1 385.457 0.831 20 0 GCADMM O=C(Cc1cncs1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571263333 945455434 /nfs/dbraw/zinc/45/54/34/945455434.db2.gz NDZINYJNJCOUQC-LLVKDONJSA-N -1 1 385.457 0.831 20 0 GCADMM Cc1ncsc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571263502 945459772 /nfs/dbraw/zinc/45/97/72/945459772.db2.gz RQJCPPXOWLRBOI-GHMZBOCLSA-N -1 1 385.457 0.997 20 0 GCADMM Cc1nc(C)c(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)s1 ZINC001571263537 945461879 /nfs/dbraw/zinc/46/18/79/945461879.db2.gz SOPNUYDVCAPMQF-GZMMTYOYSA-N -1 1 385.457 0.867 20 0 GCADMM Cc1nc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cs1 ZINC001571263915 945469904 /nfs/dbraw/zinc/46/99/04/945469904.db2.gz ZSEABMKOGGZLEC-NSHDSACASA-N -1 1 385.457 0.749 20 0 GCADMM Cc1nc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cs1 ZINC001571263915 945469909 /nfs/dbraw/zinc/46/99/09/945469909.db2.gz ZSEABMKOGGZLEC-NSHDSACASA-N -1 1 385.457 0.749 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@@H]1COCCO1 ZINC001571264943 945495816 /nfs/dbraw/zinc/49/58/16/945495816.db2.gz BEWKFJISGCETSC-FXQIFTODSA-N -1 1 385.837 0.451 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001571264985 945497117 /nfs/dbraw/zinc/49/71/17/945497117.db2.gz BTBOSFUJLXFQFR-MWLCHTKSSA-N -1 1 385.819 0.842 20 0 GCADMM O=C(c1ccncc1Cl)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571265346 945507386 /nfs/dbraw/zinc/50/73/86/945507386.db2.gz HUAHENFNFAVRJA-SNVBAGLBSA-N -1 1 385.819 0.844 20 0 GCADMM CCCC(=O)N1CCN([C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571266487 945545578 /nfs/dbraw/zinc/54/55/78/945545578.db2.gz RSTAARCHPSWRNH-CQSZACIVSA-N -1 1 385.476 0.488 20 0 GCADMM O=C(Cc1ccc(F)cc1F)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266975 945559197 /nfs/dbraw/zinc/55/91/97/945559197.db2.gz DYSQQBPZJAHPMF-LBPRGKRZSA-N -1 1 386.366 0.873 20 0 GCADMM O=C(Cc1ccc(F)cc1F)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266975 945559203 /nfs/dbraw/zinc/55/92/03/945559203.db2.gz DYSQQBPZJAHPMF-LBPRGKRZSA-N -1 1 386.366 0.873 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001571267874 945582040 /nfs/dbraw/zinc/58/20/40/945582040.db2.gz HIAGEMPCGKSWMH-RYUDHWBXSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001571267874 945582049 /nfs/dbraw/zinc/58/20/49/945582049.db2.gz HIAGEMPCGKSWMH-RYUDHWBXSA-N -1 1 386.416 0.584 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC001571267927 945584190 /nfs/dbraw/zinc/58/41/90/945584190.db2.gz JIMOODRHICGLQP-VHSXEESVSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC001571267927 945584196 /nfs/dbraw/zinc/58/41/96/945584196.db2.gz JIMOODRHICGLQP-VHSXEESVSA-N -1 1 386.395 0.872 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571268421 945595241 /nfs/dbraw/zinc/59/52/41/945595241.db2.gz ROIFLJIIHXNKNM-GHMZBOCLSA-N -1 1 386.416 0.259 20 0 GCADMM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571268421 945595250 /nfs/dbraw/zinc/59/52/50/945595250.db2.gz ROIFLJIIHXNKNM-GHMZBOCLSA-N -1 1 386.416 0.259 20 0 GCADMM CCOC(=O)CC[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC1CC1 ZINC001571268710 945602285 /nfs/dbraw/zinc/60/22/85/945602285.db2.gz XEQGTHVVWQJWAS-UHFFFAOYSA-N -1 1 386.416 0.780 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)C3=COCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571268656 945602461 /nfs/dbraw/zinc/60/24/61/945602461.db2.gz WBCJHQQCRMCINO-NSHDSACASA-N -1 1 386.416 0.510 20 0 GCADMM CCc1nc(N[C@H]2CCCN(C(=O)C3=COCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571268656 945602465 /nfs/dbraw/zinc/60/24/65/945602465.db2.gz WBCJHQQCRMCINO-NSHDSACASA-N -1 1 386.416 0.510 20 0 GCADMM Cc1ccsc1C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269930 945627297 /nfs/dbraw/zinc/62/72/97/945627297.db2.gz ICBJPPZHYBVROF-LLVKDONJSA-N -1 1 386.441 0.980 20 0 GCADMM Cc1ccsc1C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269930 945627306 /nfs/dbraw/zinc/62/73/06/945627306.db2.gz ICBJPPZHYBVROF-LLVKDONJSA-N -1 1 386.441 0.980 20 0 GCADMM Cc1n[nH]c(=O)c(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c1C ZINC001571269881 945627693 /nfs/dbraw/zinc/62/76/93/945627693.db2.gz GHWSLFVGHIXJTE-UHFFFAOYSA-N -1 1 386.441 0.655 20 0 GCADMM COc1csc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269934 945628065 /nfs/dbraw/zinc/62/80/65/945628065.db2.gz IIVZFOWBJIEDAL-JTQLQIEISA-N -1 1 386.441 0.983 20 0 GCADMM C[C@H](c1ccccc1)[C@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)C(N)=O ZINC001571270097 945631160 /nfs/dbraw/zinc/63/11/60/945631160.db2.gz NADNDWUNQOBRRE-RNCFNFMXSA-N -1 1 386.441 0.780 20 0 GCADMM C[C@H](c1ccccc1)[C@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)C(N)=O ZINC001571270097 945631168 /nfs/dbraw/zinc/63/11/68/945631168.db2.gz NADNDWUNQOBRRE-RNCFNFMXSA-N -1 1 386.441 0.780 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)c3csnn3)C2)n1 ZINC001571270056 945631545 /nfs/dbraw/zinc/63/15/45/945631545.db2.gz LQFHOONZUJUTQG-JTQLQIEISA-N -1 1 386.445 0.415 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)c3csnn3)C2)n1 ZINC001571270056 945631547 /nfs/dbraw/zinc/63/15/47/945631547.db2.gz LQFHOONZUJUTQG-JTQLQIEISA-N -1 1 386.445 0.415 20 0 GCADMM COCc1csc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571270233 945633124 /nfs/dbraw/zinc/63/31/24/945633124.db2.gz NYWBYHLMPRORDW-NSHDSACASA-N -1 1 386.441 0.613 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)c3cn(C)ccc3=O)C2)c1-c1nn[n-]n1 ZINC001571270316 945635524 /nfs/dbraw/zinc/63/55/24/945635524.db2.gz QDGQJNQQJMAWKE-JTQLQIEISA-N -1 1 386.441 0.339 20 0 GCADMM Cc1nnsc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571270568 945638287 /nfs/dbraw/zinc/63/82/87/945638287.db2.gz VITOLDUNAMTBDB-JTQLQIEISA-N -1 1 386.445 0.779 20 0 GCADMM Cc1nnsc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571270568 945638291 /nfs/dbraw/zinc/63/82/91/945638291.db2.gz VITOLDUNAMTBDB-JTQLQIEISA-N -1 1 386.445 0.779 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571270621 945639528 /nfs/dbraw/zinc/63/95/28/945639528.db2.gz WXYHJQKJKCRJRT-CABZTGNLSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571270621 945639534 /nfs/dbraw/zinc/63/95/34/945639534.db2.gz WXYHJQKJKCRJRT-CABZTGNLSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)C1CCC(O)CC1 ZINC001571272425 945661278 /nfs/dbraw/zinc/66/12/78/945661278.db2.gz DMRXVFUESKFVCN-NELGMTEASA-N -1 1 386.460 0.396 20 0 GCADMM CCc1nc(N[C@@]2(CO)CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571272402 945661995 /nfs/dbraw/zinc/66/19/95/945661995.db2.gz CXTYVRKNQCPYPR-PZROIBLQSA-N -1 1 386.460 0.641 20 0 GCADMM CCc1nc(N[C@@]2(CO)CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571272402 945662002 /nfs/dbraw/zinc/66/20/02/945662002.db2.gz CXTYVRKNQCPYPR-PZROIBLQSA-N -1 1 386.460 0.641 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C[C@H]2CCCOC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571272578 945665512 /nfs/dbraw/zinc/66/55/12/945665512.db2.gz FLDVBXYINUZJIN-KGLIPLIRSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)C[C@H]2CCCOC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571272578 945665515 /nfs/dbraw/zinc/66/55/15/945665515.db2.gz FLDVBXYINUZJIN-KGLIPLIRSA-N -1 1 386.460 0.758 20 0 GCADMM CNS(=O)(=O)C1CCN(C(=O)Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571272644 945667245 /nfs/dbraw/zinc/66/72/45/945667245.db2.gz GWDJAKAJEYQYBN-UHFFFAOYSA-N -1 1 386.463 0.177 20 0 GCADMM CNS(=O)(=O)C1CCN(C(=O)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571272644 945667249 /nfs/dbraw/zinc/66/72/49/945667249.db2.gz GWDJAKAJEYQYBN-UHFFFAOYSA-N -1 1 386.463 0.177 20 0 GCADMM C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571272705 945669243 /nfs/dbraw/zinc/66/92/43/945669243.db2.gz HYCYOVAUOFKTSZ-MGPQQGTHSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571272705 945669247 /nfs/dbraw/zinc/66/92/47/945669247.db2.gz HYCYOVAUOFKTSZ-MGPQQGTHSA-N -1 1 386.460 0.980 20 0 GCADMM CCOC(=O)C1=C(COC(=O)c2ccc(-c3nnn[n-]3)s2)NC(=O)N[C@@H]1C ZINC000821320545 945671023 /nfs/dbraw/zinc/67/10/23/945671023.db2.gz OPQMUHLNHBQVAO-SSDOTTSWSA-N -1 1 392.397 0.604 20 0 GCADMM CCOC(=O)C1=C(COC(=O)c2ccc(-c3nn[n-]n3)s2)NC(=O)N[C@@H]1C ZINC000821320545 945671028 /nfs/dbraw/zinc/67/10/28/945671028.db2.gz OPQMUHLNHBQVAO-SSDOTTSWSA-N -1 1 392.397 0.604 20 0 GCADMM CO[C@H](C)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571272803 945671111 /nfs/dbraw/zinc/67/11/11/945671111.db2.gz IPRHJPUTAIGIQD-OCCSQVGLSA-N -1 1 386.460 0.757 20 0 GCADMM CO[C@H](C)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272803 945671115 /nfs/dbraw/zinc/67/11/15/945671115.db2.gz IPRHJPUTAIGIQD-OCCSQVGLSA-N -1 1 386.460 0.757 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCCOC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571272800 945671366 /nfs/dbraw/zinc/67/13/66/945671366.db2.gz INNCFTULWFMQDM-VEVIJQCQSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CNC(=O)C3CCC(O)CC3)C2)n1 ZINC001571272798 945671739 /nfs/dbraw/zinc/67/17/39/945671739.db2.gz IMXXUEXWYJGCRN-IYXRBSQSSA-N -1 1 386.460 0.459 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CNC(=O)C3CCC(O)CC3)C2)n1 ZINC001571272798 945671744 /nfs/dbraw/zinc/67/17/44/945671744.db2.gz IMXXUEXWYJGCRN-IYXRBSQSSA-N -1 1 386.460 0.459 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001571272877 945672954 /nfs/dbraw/zinc/67/29/54/945672954.db2.gz JYMKROYHMXEJHT-MBNYWOFBSA-N -1 1 386.460 0.803 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001571272877 945672956 /nfs/dbraw/zinc/67/29/56/945672956.db2.gz JYMKROYHMXEJHT-MBNYWOFBSA-N -1 1 386.460 0.803 20 0 GCADMM O=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571272880 945673559 /nfs/dbraw/zinc/67/35/59/945673559.db2.gz JZCOYPVTQPNCDZ-KGLIPLIRSA-N -1 1 386.460 0.831 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001571272878 945674188 /nfs/dbraw/zinc/67/41/88/945674188.db2.gz JYMKROYHMXEJHT-YRGRVCCFSA-N -1 1 386.460 0.803 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001571272878 945674195 /nfs/dbraw/zinc/67/41/95/945674195.db2.gz JYMKROYHMXEJHT-YRGRVCCFSA-N -1 1 386.460 0.803 20 0 GCADMM COC1CCC(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272961 945675333 /nfs/dbraw/zinc/67/53/33/945675333.db2.gz LTJFVXGLSPDJHT-MOKVOYLWSA-N -1 1 386.460 0.947 20 0 GCADMM O=C(CC1CCC1)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571272995 945675561 /nfs/dbraw/zinc/67/55/61/945675561.db2.gz MLQYRRPTWYSGIL-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM O=C(CC1CCC1)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571272995 945675569 /nfs/dbraw/zinc/67/55/69/945675569.db2.gz MLQYRRPTWYSGIL-UHFFFAOYSA-N -1 1 386.460 0.637 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)[C@]3(C)CCOC3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571273121 945679042 /nfs/dbraw/zinc/67/90/42/945679042.db2.gz PRATUUGEZOSTQA-AEDCBLDQSA-N -1 1 386.460 0.905 20 0 GCADMM CCc1nc(N[C@@H]2CN(C(=O)[C@]3(C)CCOC3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571273121 945679048 /nfs/dbraw/zinc/67/90/48/945679048.db2.gz PRATUUGEZOSTQA-AEDCBLDQSA-N -1 1 386.460 0.905 20 0 GCADMM CN(CC1CCN(C(=O)[C@H]2CCCCO2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571273099 945679620 /nfs/dbraw/zinc/67/96/20/945679620.db2.gz PARBZAYPSOELOJ-CQSZACIVSA-N -1 1 386.460 0.901 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCCOCC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273107 945680242 /nfs/dbraw/zinc/68/02/42/945680242.db2.gz PLNBICUASHLRIW-KGLIPLIRSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCCOCC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273107 945680248 /nfs/dbraw/zinc/68/02/48/945680248.db2.gz PLNBICUASHLRIW-KGLIPLIRSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273112 945680486 /nfs/dbraw/zinc/68/04/86/945680486.db2.gz PMHPCBMCRJSKTB-KGLIPLIRSA-N -1 1 386.460 0.758 20 0 GCADMM CN(C[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273112 945680490 /nfs/dbraw/zinc/68/04/90/945680490.db2.gz PMHPCBMCRJSKTB-KGLIPLIRSA-N -1 1 386.460 0.758 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]2C)n1 ZINC001571273407 945688037 /nfs/dbraw/zinc/68/80/37/945688037.db2.gz XAWIVOJVTUBUGA-WCQYABFASA-N -1 1 386.460 0.919 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]2C)n1 ZINC001571273407 945688042 /nfs/dbraw/zinc/68/80/42/945688042.db2.gz XAWIVOJVTUBUGA-WCQYABFASA-N -1 1 386.460 0.919 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001571273447 945688868 /nfs/dbraw/zinc/68/88/68/945688868.db2.gz XORZWKXOQXBFIE-MBNYWOFBSA-N -1 1 386.460 0.803 20 0 GCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001571273447 945688879 /nfs/dbraw/zinc/68/88/79/945688879.db2.gz XORZWKXOQXBFIE-MBNYWOFBSA-N -1 1 386.460 0.803 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571274127 945693055 /nfs/dbraw/zinc/69/30/55/945693055.db2.gz BXQYCWPYWFJNHB-IUCAKERBSA-N -1 1 386.807 0.445 20 0 GCADMM Cc1[nH]nc(Cl)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571274127 945693062 /nfs/dbraw/zinc/69/30/62/945693062.db2.gz BXQYCWPYWFJNHB-IUCAKERBSA-N -1 1 386.807 0.445 20 0 GCADMM C[C@]1(NC(=O)c2ncc(F)cc2F)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571274295 945694514 /nfs/dbraw/zinc/69/45/14/945694514.db2.gz FERYAFZYHYBFJG-INIZCTEOSA-N -1 1 387.354 0.729 20 0 GCADMM C[C@]1(NC(=O)c2ncc(F)cc2F)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571274295 945694518 /nfs/dbraw/zinc/69/45/18/945694518.db2.gz FERYAFZYHYBFJG-INIZCTEOSA-N -1 1 387.354 0.729 20 0 GCADMM C[C@@H](Cc1ccccc1F)C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571274264 945695385 /nfs/dbraw/zinc/69/53/85/945695385.db2.gz CZVYQIFJAZHYKH-JTQLQIEISA-N -1 1 387.375 0.263 20 0 GCADMM Cn1c(Cl)ncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571274416 945697677 /nfs/dbraw/zinc/69/76/77/945697677.db2.gz GVSXUPYZOMETTQ-IUCAKERBSA-N -1 1 386.807 0.147 20 0 GCADMM Cn1c(Cl)ncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571274416 945697683 /nfs/dbraw/zinc/69/76/83/945697683.db2.gz GVSXUPYZOMETTQ-IUCAKERBSA-N -1 1 386.807 0.147 20 0 GCADMM CCOC(=O)[C@H](COC)NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001571274686 945698887 /nfs/dbraw/zinc/69/88/87/945698887.db2.gz JZYCGQSXCCFJAJ-NSHDSACASA-N -1 1 387.393 0.171 20 0 GCADMM C[C@H]1C[C@@H](C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571275688 945710822 /nfs/dbraw/zinc/71/08/22/945710822.db2.gz AQVVZIANWYKOFT-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1C[C@@H](C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571275688 945710826 /nfs/dbraw/zinc/71/08/26/945710826.db2.gz AQVVZIANWYKOFT-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)COC1CCCCC1 ZINC001571275722 945713455 /nfs/dbraw/zinc/71/34/55/945713455.db2.gz BJBQWKYOQPZEJZ-CHWSQXEVSA-N -1 1 386.460 0.829 20 0 GCADMM CC1(C)CO[C@@H](CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571275745 945713611 /nfs/dbraw/zinc/71/36/11/945713611.db2.gz BRYAXZLUXVKEDC-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)CO[C@@H](CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571275745 945713614 /nfs/dbraw/zinc/71/36/14/945713614.db2.gz BRYAXZLUXVKEDC-STQMWFEESA-N -1 1 386.460 0.947 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571275734 945714258 /nfs/dbraw/zinc/71/42/58/945714258.db2.gz BNXMZWNMWYRIMB-BHPKHCPMSA-N -1 1 386.460 0.660 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571275734 945714268 /nfs/dbraw/zinc/71/42/68/945714268.db2.gz BNXMZWNMWYRIMB-BHPKHCPMSA-N -1 1 386.460 0.660 20 0 GCADMM CC[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001571276086 945722924 /nfs/dbraw/zinc/72/29/24/945722924.db2.gz HAQZSIUDIBKHEA-XUXIUFHCSA-N -1 1 386.460 0.591 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1NC(=O)C[C@@H]1CCOC1 ZINC001571276059 945723612 /nfs/dbraw/zinc/72/36/12/945723612.db2.gz GOBYRBKFJDWJJF-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1NC(=O)C[C@@H]1CCOC1 ZINC001571276059 945723614 /nfs/dbraw/zinc/72/36/14/945723614.db2.gz GOBYRBKFJDWJJF-STQMWFEESA-N -1 1 386.460 0.804 20 0 GCADMM CCN(C(=O)C1CCC(O)CC1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571276110 945725164 /nfs/dbraw/zinc/72/51/64/945725164.db2.gz HGZGESDWTTZXIG-ROKHWSDSSA-N -1 1 386.460 0.635 20 0 GCADMM CCN(C(=O)C1CCC(O)CC1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571276110 945725172 /nfs/dbraw/zinc/72/51/72/945725172.db2.gz HGZGESDWTTZXIG-ROKHWSDSSA-N -1 1 386.460 0.635 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)CC2(C)C)CCOC1 ZINC001571276569 945732156 /nfs/dbraw/zinc/73/21/56/945732156.db2.gz IRYLDSKULMEENJ-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)CC2(C)C)CCOC1 ZINC001571276569 945732162 /nfs/dbraw/zinc/73/21/62/945732162.db2.gz IRYLDSKULMEENJ-XIKOKIGWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)[C@@H](O)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001571276543 945732573 /nfs/dbraw/zinc/73/25/73/945732573.db2.gz ICGZVAUVFCUUQP-OLMNPRSZSA-N -1 1 386.460 0.348 20 0 GCADMM CC(C)[C@@H](O)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571276543 945732581 /nfs/dbraw/zinc/73/25/81/945732581.db2.gz ICGZVAUVFCUUQP-OLMNPRSZSA-N -1 1 386.460 0.348 20 0 GCADMM CC1(C)CO[C@H](CC(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571276639 945734277 /nfs/dbraw/zinc/73/42/77/945734277.db2.gz KAIKIOYTCUZEMW-CHWSQXEVSA-N -1 1 386.460 0.687 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnc2ccccc2n1 ZINC000821600604 945738360 /nfs/dbraw/zinc/73/83/60/945738360.db2.gz VAVNMBQBUOGKQG-UHFFFAOYSA-N -1 1 378.400 0.820 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnc2ccccc2n1 ZINC000821600604 945738375 /nfs/dbraw/zinc/73/83/75/945738375.db2.gz VAVNMBQBUOGKQG-UHFFFAOYSA-N -1 1 378.400 0.820 20 0 GCADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC001571277620 945745234 /nfs/dbraw/zinc/74/52/34/945745234.db2.gz MMKLYPWEQTYHBO-UGSOOPFHSA-N -1 1 386.460 0.688 20 0 GCADMM CC1(C)CC(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)C1 ZINC001571278451 945753085 /nfs/dbraw/zinc/75/30/85/945753085.db2.gz NGMBBFQBCATEIE-CHWSQXEVSA-N -1 1 386.460 0.539 20 0 GCADMM CC1(C)CC(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)C1 ZINC001571278454 945754067 /nfs/dbraw/zinc/75/40/67/945754067.db2.gz NGMBBFQBCATEIE-QWHCGFSZSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571278623 945755156 /nfs/dbraw/zinc/75/51/56/945755156.db2.gz POLIRFPCWOZUHA-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CN(C(=O)CC2(O)CCC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571278623 945755164 /nfs/dbraw/zinc/75/51/64/945755164.db2.gz POLIRFPCWOZUHA-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM CC[C@H]1C[C@H](CC(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001571278612 945755324 /nfs/dbraw/zinc/75/53/24/945755324.db2.gz PLPHPQDVRYEZLQ-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@H]1C[C@H](CC(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001571278612 945755333 /nfs/dbraw/zinc/75/53/33/945755333.db2.gz PLPHPQDVRYEZLQ-KGLIPLIRSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571278529 945755429 /nfs/dbraw/zinc/75/54/29/945755429.db2.gz PASUNOCWPMSDHW-FRRDWIJNSA-N -1 1 386.460 0.543 20 0 GCADMM C[C@H]1CN(C(=O)CC2(O)CCC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571278624 945756150 /nfs/dbraw/zinc/75/61/50/945756150.db2.gz POLIRFPCWOZUHA-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CN(C(=O)CC2(O)CCC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571278624 945756161 /nfs/dbraw/zinc/75/61/61/945756161.db2.gz POLIRFPCWOZUHA-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)[C@@H]1CCCOC1 ZINC001571278534 945756479 /nfs/dbraw/zinc/75/64/79/945756479.db2.gz PBLOUMLSHTVYJZ-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)[C@@H]1CCCOC1 ZINC001571278534 945756488 /nfs/dbraw/zinc/75/64/88/945756488.db2.gz PBLOUMLSHTVYJZ-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1csc(=O)[nH]1 ZINC001571278776 945759901 /nfs/dbraw/zinc/75/99/01/945759901.db2.gz BZMMVLCAIHCNEY-BDAKNGLRSA-N -1 1 387.429 0.829 20 0 GCADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1csc(=O)[nH]1 ZINC001571278776 945759911 /nfs/dbraw/zinc/75/99/11/945759911.db2.gz BZMMVLCAIHCNEY-BDAKNGLRSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001571278929 945764229 /nfs/dbraw/zinc/76/42/29/945764229.db2.gz RMBYLOCAUSDENY-DZGCQCFKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001571278929 945764240 /nfs/dbraw/zinc/76/42/40/945764240.db2.gz RMBYLOCAUSDENY-DZGCQCFKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001571278931 945765375 /nfs/dbraw/zinc/76/53/75/945765375.db2.gz 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COCc1nc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cs1 ZINC001571279258 945774067 /nfs/dbraw/zinc/77/40/67/945774067.db2.gz MIDARDIRGKQFII-UHFFFAOYSA-N -1 1 387.429 0.222 20 0 GCADMM C[C@H](CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571279337 945775119 /nfs/dbraw/zinc/77/51/19/945775119.db2.gz VDOJCTCMOMFIOF-TZMCWYRMSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H](CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571279335 945775670 /nfs/dbraw/zinc/77/56/70/945775670.db2.gz VDOJCTCMOMFIOF-JSGCOSHPSA-N -1 1 386.460 0.544 20 0 GCADMM CC[C@@H](C)C(=O)N1CCOC2(CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571279352 945775980 /nfs/dbraw/zinc/77/59/80/945775980.db2.gz VNCLTDVMMUAZIJ-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CC[C@@H](C)C(=O)N1CCOC2(CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571279352 945775991 /nfs/dbraw/zinc/77/59/91/945775991.db2.gz VNCLTDVMMUAZIJ-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM O=C(c1csc(=O)[nH]1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571279415 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ZINC001573463801 945960795 /nfs/dbraw/zinc/96/07/95/945960795.db2.gz BRHDMNVCPUJWOZ-HAQNSBGRSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573463801 945960801 /nfs/dbraw/zinc/96/08/01/945960801.db2.gz BRHDMNVCPUJWOZ-HAQNSBGRSA-N -1 1 387.448 0.411 20 0 GCADMM COC(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC001571286800 945961146 /nfs/dbraw/zinc/96/11/46/945961146.db2.gz RTNASFRIQSAIED-UHFFFAOYSA-N -1 1 388.409 0.835 20 0 GCADMM COC(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC001571286800 945961157 /nfs/dbraw/zinc/96/11/57/945961157.db2.gz RTNASFRIQSAIED-UHFFFAOYSA-N -1 1 388.409 0.835 20 0 GCADMM C[C@@H]1CN(C(=O)CC2OCCCO2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571286995 945964870 /nfs/dbraw/zinc/96/48/70/945964870.db2.gz XPOLBTNAXLWPHI-NEPJUHHUSA-N -1 1 388.432 0.459 20 0 GCADMM C[C@@H]1CN(C(=O)CC2OCCCO2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571286995 945964877 /nfs/dbraw/zinc/96/48/77/945964877.db2.gz XPOLBTNAXLWPHI-NEPJUHHUSA-N -1 1 388.432 0.459 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573464523 945966434 /nfs/dbraw/zinc/96/64/34/945966434.db2.gz LPZQEJFNTYJDDY-VIFPVBQESA-N -1 1 375.437 0.187 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573464523 945966446 /nfs/dbraw/zinc/96/64/46/945966446.db2.gz LPZQEJFNTYJDDY-VIFPVBQESA-N -1 1 375.437 0.187 20 0 GCADMM O=C(C1Cc2ccccc2C1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571287219 945971085 /nfs/dbraw/zinc/97/10/85/945971085.db2.gz AZKIJDYJBVKFOC-HOTGVXAUSA-N -1 1 388.435 0.861 20 0 GCADMM O=C(C1Cc2ccccc2C1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571287219 945971092 /nfs/dbraw/zinc/97/10/92/945971092.db2.gz AZKIJDYJBVKFOC-HOTGVXAUSA-N -1 1 388.435 0.861 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573465197 945971475 /nfs/dbraw/zinc/97/14/75/945971475.db2.gz UMHVGXVIPPRGQK-TXEJJXNPSA-N -1 1 387.448 0.187 20 0 GCADMM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573465197 945971484 /nfs/dbraw/zinc/97/14/84/945971484.db2.gz UMHVGXVIPPRGQK-TXEJJXNPSA-N -1 1 387.448 0.187 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573467306 945976213 /nfs/dbraw/zinc/97/62/13/945976213.db2.gz BHDWZZALKPUFKI-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573467306 945976223 /nfs/dbraw/zinc/97/62/23/945976223.db2.gz BHDWZZALKPUFKI-JTQLQIEISA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573467815 945986875 /nfs/dbraw/zinc/98/68/75/945986875.db2.gz IQOXTGZXBHWSEM-GFCCVEGCSA-N -1 1 389.464 0.163 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573467815 945986879 /nfs/dbraw/zinc/98/68/79/945986879.db2.gz IQOXTGZXBHWSEM-GFCCVEGCSA-N -1 1 389.464 0.163 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573468045 945988473 /nfs/dbraw/zinc/98/84/73/945988473.db2.gz KKXNEIUQSABMJE-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573468045 945988481 /nfs/dbraw/zinc/98/84/81/945988481.db2.gz KKXNEIUQSABMJE-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573468049 945989328 /nfs/dbraw/zinc/98/93/28/945989328.db2.gz KKXNEIUQSABMJE-NKWVEPMBSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573468049 945989321 /nfs/dbraw/zinc/98/93/21/945989321.db2.gz KKXNEIUQSABMJE-NKWVEPMBSA-N -1 1 386.869 0.760 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1COCCO1 ZINC001571288974 945996532 /nfs/dbraw/zinc/99/65/32/945996532.db2.gz VQENMTMWWGOGIE-YRGRVCCFSA-N -1 1 388.432 0.159 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1COCCO1 ZINC001571288974 945996536 /nfs/dbraw/zinc/99/65/36/945996536.db2.gz VQENMTMWWGOGIE-YRGRVCCFSA-N -1 1 388.432 0.159 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573468632 945997359 /nfs/dbraw/zinc/99/73/59/945997359.db2.gz PZZOKUHYJLLATP-SKDRFNHKSA-N -1 1 392.489 0.805 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573469730 946008931 /nfs/dbraw/zinc/00/89/31/946008931.db2.gz XDLCCMOYEARNQX-BQBZGAKWSA-N -1 1 386.869 0.760 20 0 GCADMM Cc1nsc(N2CC[C@H](CNC(=O)c3cnn(C)c3N)C2)c1-c1nn[n-]n1 ZINC001571289508 946009247 /nfs/dbraw/zinc/00/92/47/946009247.db2.gz GGEKFOYUOFCEBA-SECBINFHSA-N -1 1 388.461 0.204 20 0 GCADMM Cc1nnc(CC(=O)N2CCC[C@@H]2CNc2snc(C)c2-c2nn[n-]n2)[nH]1 ZINC001571289495 946010689 /nfs/dbraw/zinc/01/06/89/946010689.db2.gz FYEUWJXOQCDRQX-SNVBAGLBSA-N -1 1 388.461 0.704 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573470487 946028255 /nfs/dbraw/zinc/02/82/55/946028255.db2.gz FSOCGINBHVOXNX-MWLCHTKSSA-N -1 1 378.462 0.559 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573470486 946028326 /nfs/dbraw/zinc/02/83/26/946028326.db2.gz FSOCGINBHVOXNX-KOLCDFICSA-N -1 1 378.462 0.559 20 0 GCADMM Cc1nsc(N2CCC(N(C)C(=O)c3ncn(C)n3)CC2)c1-c1nn[n-]n1 ZINC001571290068 946029999 /nfs/dbraw/zinc/02/99/99/946029999.db2.gz UNXSDUPTKPDAIK-UHFFFAOYSA-N -1 1 388.461 0.501 20 0 GCADMM Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)c1[O-] ZINC001571290209 946032080 /nfs/dbraw/zinc/03/20/80/946032080.db2.gz XPDMFMNSKCGQBY-JTQLQIEISA-N -1 1 388.457 0.917 20 0 GCADMM Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)c1[O-] ZINC001571290209 946032091 /nfs/dbraw/zinc/03/20/91/946032091.db2.gz XPDMFMNSKCGQBY-JTQLQIEISA-N -1 1 388.457 0.917 20 0 GCADMM CCC(CC)(CC)C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290270 946035598 /nfs/dbraw/zinc/03/55/98/946035598.db2.gz YYNFZDKLHIXMOF-CYBMUJFWSA-N -1 1 388.476 0.934 20 0 GCADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccn(C)c1 ZINC001571290238 946035825 /nfs/dbraw/zinc/03/58/25/946035825.db2.gz YKNLSXUWVHVKLP-VXGBXAGGSA-N -1 1 388.457 0.604 20 0 GCADMM Cc1nsc(N2CCCO[C@H](CNC(=O)c3cc[nH]c3)C2)c1-c1nn[n-]n1 ZINC001571290278 946035957 /nfs/dbraw/zinc/03/59/57/946035957.db2.gz ZGPZDMGUINKTSQ-GFCCVEGCSA-N -1 1 388.457 0.985 20 0 GCADMM Cc1c(Cl)c(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571290359 946038176 /nfs/dbraw/zinc/03/81/76/946038176.db2.gz BTMFCEDLTQMCHR-VIFPVBQESA-N -1 1 388.823 0.361 20 0 GCADMM Cc1c(Cl)c(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571290359 946038187 /nfs/dbraw/zinc/03/81/87/946038187.db2.gz BTMFCEDLTQMCHR-VIFPVBQESA-N -1 1 388.823 0.361 20 0 GCADMM O=C(Cn1cc(Cl)cn1)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571290467 946045407 /nfs/dbraw/zinc/04/54/07/946045407.db2.gz GAVURQFNNOSETA-UHFFFAOYSA-N -1 1 388.823 0.292 20 0 GCADMM O=C(Cn1cc(Cl)cn1)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571290467 946045419 /nfs/dbraw/zinc/04/54/19/946045419.db2.gz GAVURQFNNOSETA-UHFFFAOYSA-N -1 1 388.823 0.292 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573471372 946049491 /nfs/dbraw/zinc/04/94/91/946049491.db2.gz OHYQLLPJCPQGAD-QFYYESIMSA-N -1 1 392.489 0.807 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)n(C)n2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571290661 946049414 /nfs/dbraw/zinc/04/94/14/946049414.db2.gz LAVSSUFLFWIHFX-BDAKNGLRSA-N -1 1 388.823 0.441 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)n(C)n2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571290661 946049427 /nfs/dbraw/zinc/04/94/27/946049427.db2.gz LAVSSUFLFWIHFX-BDAKNGLRSA-N -1 1 388.823 0.441 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573471667 946051355 /nfs/dbraw/zinc/05/13/55/946051355.db2.gz QEGIPIDBVMLBQX-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573471667 946051367 /nfs/dbraw/zinc/05/13/67/946051367.db2.gz QEGIPIDBVMLBQX-QWRGUYRKSA-N -1 1 387.448 0.220 20 0 GCADMM Cn1cc(Cl)c(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571290687 946052093 /nfs/dbraw/zinc/05/20/93/946052093.db2.gz LYAZTDUWSYZHLX-KYZUINATSA-N -1 1 388.823 0.664 20 0 GCADMM Cn1cc(Cl)c(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571290687 946052107 /nfs/dbraw/zinc/05/21/07/946052107.db2.gz LYAZTDUWSYZHLX-KYZUINATSA-N -1 1 388.823 0.664 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290712 946054738 /nfs/dbraw/zinc/05/47/38/946054738.db2.gz NANDMHNRLYGIEP-LLVKDONJSA-N -1 1 388.823 0.610 20 0 GCADMM O=C(Cn1cc(Cl)cn1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290712 946054751 /nfs/dbraw/zinc/05/47/51/946054751.db2.gz NANDMHNRLYGIEP-LLVKDONJSA-N -1 1 388.823 0.610 20 0 GCADMM Cn1nc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1Cl ZINC001571290823 946056100 /nfs/dbraw/zinc/05/61/00/946056100.db2.gz QCHSRPNGPZYVJD-HNNXBMFYSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1nc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1Cl ZINC001571290823 946056112 /nfs/dbraw/zinc/05/61/12/946056112.db2.gz QCHSRPNGPZYVJD-HNNXBMFYSA-N -1 1 388.823 0.442 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cc(Cl)n(C)n1 ZINC001571290779 946056302 /nfs/dbraw/zinc/05/63/02/946056302.db2.gz OQRSEXUTKXZCCF-LDYMZIIASA-N -1 1 388.823 0.298 20 0 GCADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cc(Cl)n(C)n1 ZINC001571290779 946056309 /nfs/dbraw/zinc/05/63/09/946056309.db2.gz OQRSEXUTKXZCCF-LDYMZIIASA-N -1 1 388.823 0.298 20 0 GCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2c(Cl)cnn2C)C1 ZINC001571290831 946057675 /nfs/dbraw/zinc/05/76/75/946057675.db2.gz QJPBJGRQSHKQNC-SECBINFHSA-N -1 1 388.823 0.395 20 0 GCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2c(Cl)cnn2C)C1 ZINC001571290831 946057687 /nfs/dbraw/zinc/05/76/87/946057687.db2.gz QJPBJGRQSHKQNC-SECBINFHSA-N -1 1 388.823 0.395 20 0 GCADMM Cc1nn(C)c(Cl)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571290894 946061131 /nfs/dbraw/zinc/06/11/31/946061131.db2.gz SUTCKQQIPSVCIW-SECBINFHSA-N -1 1 388.823 0.679 20 0 GCADMM Cc1nn(C)c(Cl)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571290894 946061143 /nfs/dbraw/zinc/06/11/43/946061143.db2.gz SUTCKQQIPSVCIW-SECBINFHSA-N -1 1 388.823 0.679 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571290865 946061213 /nfs/dbraw/zinc/06/12/13/946061213.db2.gz RGWDKYQAYGIXCF-KWQFWETISA-N -1 1 388.823 0.616 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)nc2Cl)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571290865 946061226 /nfs/dbraw/zinc/06/12/26/946061226.db2.gz RGWDKYQAYGIXCF-KWQFWETISA-N -1 1 388.823 0.616 20 0 GCADMM Cn1ncc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1Cl ZINC001571290998 946061709 /nfs/dbraw/zinc/06/17/09/946061709.db2.gz XJKGIJQXTFRMGV-HNNXBMFYSA-N -1 1 388.823 0.442 20 0 GCADMM Cn1ncc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1Cl ZINC001571290998 946061721 /nfs/dbraw/zinc/06/17/21/946061721.db2.gz XJKGIJQXTFRMGV-HNNXBMFYSA-N -1 1 388.823 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573472349 946065773 /nfs/dbraw/zinc/06/57/73/946065773.db2.gz VPSCAWACTZWBOG-ZWNOBZJWSA-N -1 1 387.448 0.139 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573472349 946065786 /nfs/dbraw/zinc/06/57/86/946065786.db2.gz VPSCAWACTZWBOG-ZWNOBZJWSA-N -1 1 387.448 0.139 20 0 GCADMM CCc1[nH]nc(Cl)c1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571291016 946065783 /nfs/dbraw/zinc/06/57/83/946065783.db2.gz YEIZJFIVMHFZTC-QMMMGPOBSA-N -1 1 388.823 0.344 20 0 GCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCN[C@@H](c2ccc(F)cc2)C1 ZINC001571291072 946066948 /nfs/dbraw/zinc/06/69/48/946066948.db2.gz AKOJIXVBBTZRBI-CYBMUJFWSA-N -1 1 389.416 0.736 20 0 GCADMM O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571291166 946067590 /nfs/dbraw/zinc/06/75/90/946067590.db2.gz FGQMQPFUBYJZEQ-BXKDBHETSA-N -1 1 389.363 0.603 20 0 GCADMM O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571291166 946067605 /nfs/dbraw/zinc/06/76/05/946067605.db2.gz FGQMQPFUBYJZEQ-BXKDBHETSA-N -1 1 389.363 0.603 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573472981 946072697 /nfs/dbraw/zinc/07/26/97/946072697.db2.gz YQGCKAUBMMCYER-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573472981 946072710 /nfs/dbraw/zinc/07/27/10/946072710.db2.gz YQGCKAUBMMCYER-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573473332 946080043 /nfs/dbraw/zinc/08/00/43/946080043.db2.gz BNYWWXNNNJMEAO-MDZLAQPJSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573473332 946080058 /nfs/dbraw/zinc/08/00/58/946080058.db2.gz BNYWWXNNNJMEAO-MDZLAQPJSA-N -1 1 387.448 0.220 20 0 GCADMM O=C(NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F)c1ccc[nH]1 ZINC001571291653 946080322 /nfs/dbraw/zinc/08/03/22/946080322.db2.gz NYQTUZOBDFHENJ-JTQLQIEISA-N -1 1 389.370 0.876 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573473941 946086670 /nfs/dbraw/zinc/08/66/70/946086670.db2.gz GTVRUZZIUXJPOB-WZRBSPASSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573473941 946086678 /nfs/dbraw/zinc/08/66/78/946086678.db2.gz GTVRUZZIUXJPOB-WZRBSPASSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC2(CCCCC2)O1 ZINC001571292364 946092589 /nfs/dbraw/zinc/09/25/89/946092589.db2.gz YOCYZJYJBRSITI-LLVKDONJSA-N -1 1 389.416 0.079 20 0 GCADMM Cc1nc[nH]c1CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000822458989 946094165 /nfs/dbraw/zinc/09/41/65/946094165.db2.gz LZNUKYWSXARJHN-UHFFFAOYSA-N -1 1 380.416 0.807 20 0 GCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)N1CCC(OC2CCCC2)CC1 ZINC001571292472 946094844 /nfs/dbraw/zinc/09/48/44/946094844.db2.gz ZYUNGMLLIXCBLP-UHFFFAOYSA-N -1 1 389.416 0.079 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573475196 946096998 /nfs/dbraw/zinc/09/69/98/946096998.db2.gz QENFWZNEBDODAH-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573475196 946097011 /nfs/dbraw/zinc/09/70/11/946097011.db2.gz QENFWZNEBDODAH-WCQYABFASA-N -1 1 387.448 0.364 20 0 GCADMM Cc1nnc(CC(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)[C@@H]2C)o1 ZINC001571293222 946099241 /nfs/dbraw/zinc/09/92/41/946099241.db2.gz BOGXZSKTBCUASS-WCBMZHEXSA-N -1 1 389.445 0.967 20 0 GCADMM Cc1cc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2O)co1 ZINC001571293203 946099410 /nfs/dbraw/zinc/09/94/10/946099410.db2.gz BBXUXPRFASJROL-RYUDHWBXSA-N -1 1 389.441 0.903 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573475364 946100517 /nfs/dbraw/zinc/10/05/17/946100517.db2.gz RWFCRJUJDJYDDC-NTZNESFSSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573475364 946100522 /nfs/dbraw/zinc/10/05/22/946100522.db2.gz RWFCRJUJDJYDDC-NTZNESFSSA-N -1 1 387.448 0.078 20 0 GCADMM Cc1nc(C(C)C)sc1C(=O)CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571293419 946106476 /nfs/dbraw/zinc/10/64/76/946106476.db2.gz HXHAFHDQBGCGKO-SECBINFHSA-N -1 1 389.445 0.907 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573476025 946112096 /nfs/dbraw/zinc/11/20/96/946112096.db2.gz CHVDSRYONPIGQB-POYBYMJQSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001573476405 946117996 /nfs/dbraw/zinc/11/79/96/946117996.db2.gz GMPQVVJGIAAATP-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001573476405 946118004 /nfs/dbraw/zinc/11/80/04/946118004.db2.gz GMPQVVJGIAAATP-PWSUYJOCSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573476571 946120382 /nfs/dbraw/zinc/12/03/82/946120382.db2.gz HZTWIGUKTGHGJW-POYBYMJQSA-N -1 1 384.853 0.196 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573476571 946120388 /nfs/dbraw/zinc/12/03/88/946120388.db2.gz HZTWIGUKTGHGJW-POYBYMJQSA-N -1 1 384.853 0.196 20 0 GCADMM Cc1nsc(N2CC[C@H](N(C)C(=O)c3[nH]c(=O)[nH]c3C)C2)c1-c1nn[n-]n1 ZINC001571294027 946123348 /nfs/dbraw/zinc/12/33/48/946123348.db2.gz YPCRVFKOSXEAFV-VIFPVBQESA-N -1 1 389.445 0.720 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573476861 946126635 /nfs/dbraw/zinc/12/66/35/946126635.db2.gz KACZXBXMCQGNNB-RNFRBKRXSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573476861 946126641 /nfs/dbraw/zinc/12/66/41/946126641.db2.gz KACZXBXMCQGNNB-RNFRBKRXSA-N -1 1 386.869 0.442 20 0 GCADMM O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C(F)F)c1 ZINC001571294271 946130570 /nfs/dbraw/zinc/13/05/70/946130570.db2.gz CVSAVQQXKRAJCP-UHFFFAOYSA-N -1 1 390.358 0.869 20 0 GCADMM O=C(NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C(F)F)c1 ZINC001571294271 946130576 /nfs/dbraw/zinc/13/05/76/946130576.db2.gz CVSAVQQXKRAJCP-UHFFFAOYSA-N -1 1 390.358 0.869 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573477356 946134214 /nfs/dbraw/zinc/13/42/14/946134214.db2.gz PCTSVQVBZDHRET-ONGXEEELSA-N -1 1 378.462 0.241 20 0 GCADMM O=C(Cn1ccc(C(F)F)n1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571294424 946134323 /nfs/dbraw/zinc/13/43/23/946134323.db2.gz FNKZJYOYPMBOJU-UHFFFAOYSA-N -1 1 390.358 0.140 20 0 GCADMM O=C(Cn1ccc(C(F)F)n1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571294424 946134327 /nfs/dbraw/zinc/13/43/27/946134327.db2.gz FNKZJYOYPMBOJU-UHFFFAOYSA-N -1 1 390.358 0.140 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O)c1cc(Cl)c[nH]1 ZINC001571294419 946134767 /nfs/dbraw/zinc/13/47/67/946134767.db2.gz FKDGPXNRZHCZMZ-KOLCDFICSA-N -1 1 389.807 0.008 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)n1 ZINC000822604881 946135241 /nfs/dbraw/zinc/13/52/41/946135241.db2.gz ODRXEXWMGFJVKY-UHFFFAOYSA-N -1 1 395.427 0.651 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)n1 ZINC000822604881 946135251 /nfs/dbraw/zinc/13/52/51/946135251.db2.gz ODRXEXWMGFJVKY-UHFFFAOYSA-N -1 1 395.427 0.651 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000822610023 946138018 /nfs/dbraw/zinc/13/80/18/946138018.db2.gz ZIVBHKZLOTXNJK-UHFFFAOYSA-N -1 1 387.448 0.857 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000822610023 946138024 /nfs/dbraw/zinc/13/80/24/946138024.db2.gz ZIVBHKZLOTXNJK-UHFFFAOYSA-N -1 1 387.448 0.857 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)n1 ZINC000822609124 946138620 /nfs/dbraw/zinc/13/86/20/946138620.db2.gz KGAQNRALWHTSER-UHFFFAOYSA-N -1 1 394.461 0.565 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)n1 ZINC000822609124 946138629 /nfs/dbraw/zinc/13/86/29/946138629.db2.gz KGAQNRALWHTSER-UHFFFAOYSA-N -1 1 394.461 0.565 20 0 GCADMM O=C(c1ccn(CC(F)F)n1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571294802 946144748 /nfs/dbraw/zinc/14/47/48/946144748.db2.gz MGPNVULETDISDQ-VIFPVBQESA-N -1 1 390.358 0.445 20 0 GCADMM O=C(c1ccn(CC(F)F)n1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571294802 946144754 /nfs/dbraw/zinc/14/47/54/946144754.db2.gz MGPNVULETDISDQ-VIFPVBQESA-N -1 1 390.358 0.445 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001573478252 946145625 /nfs/dbraw/zinc/14/56/25/946145625.db2.gz WEHHVWMBFLBEBX-MWLCHTKSSA-N -1 1 392.489 0.487 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CC1 ZINC001571294886 946147409 /nfs/dbraw/zinc/14/74/09/946147409.db2.gz PFKNNBGTVTVBDQ-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CC1 ZINC001571294886 946147414 /nfs/dbraw/zinc/14/74/14/946147414.db2.gz PFKNNBGTVTVBDQ-PHIMTYICSA-N -1 1 390.398 0.987 20 0 GCADMM COC(=O)[C@@H](F)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC001571294911 946148266 /nfs/dbraw/zinc/14/82/66/946148266.db2.gz PTRZWMRPFQIPAK-LBPRGKRZSA-N -1 1 390.379 0.086 20 0 GCADMM COC(=O)[C@@H](F)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC001571294911 946148272 /nfs/dbraw/zinc/14/82/72/946148272.db2.gz PTRZWMRPFQIPAK-LBPRGKRZSA-N -1 1 390.379 0.086 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001571294983 946151002 /nfs/dbraw/zinc/15/10/02/946151002.db2.gz RPFQXTNEUDUPLT-MRVPVSSYSA-N -1 1 390.358 0.668 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001571294983 946151006 /nfs/dbraw/zinc/15/10/06/946151006.db2.gz RPFQXTNEUDUPLT-MRVPVSSYSA-N -1 1 390.358 0.668 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573478817 946152600 /nfs/dbraw/zinc/15/26/00/946152600.db2.gz YWAWKAJKYMRNBP-RNFRBKRXSA-N -1 1 386.869 0.442 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573478817 946152604 /nfs/dbraw/zinc/15/26/04/946152604.db2.gz YWAWKAJKYMRNBP-RNFRBKRXSA-N -1 1 386.869 0.442 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1ccc(Cl)[nH]1 ZINC001571295183 946157512 /nfs/dbraw/zinc/15/75/12/946157512.db2.gz VJOLDFKZHQMVQJ-KWQFWETISA-N -1 1 389.807 0.008 20 0 GCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccc(Cl)[nH]1 ZINC001571295183 946157516 /nfs/dbraw/zinc/15/75/16/946157516.db2.gz VJOLDFKZHQMVQJ-KWQFWETISA-N -1 1 389.807 0.008 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573479502 946161548 /nfs/dbraw/zinc/16/15/48/946161548.db2.gz DQMJIVFAVJCDDU-LLVKDONJSA-N -1 1 387.448 0.331 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573479502 946161555 /nfs/dbraw/zinc/16/15/55/946161555.db2.gz DQMJIVFAVJCDDU-LLVKDONJSA-N -1 1 387.448 0.331 20 0 GCADMM C[C@@H]([N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1)c1nc(C(F)(F)F)no1 ZINC001571295355 946161693 /nfs/dbraw/zinc/16/16/93/946161693.db2.gz YRWMHXRNTPKIRW-RXMQYKEDSA-N -1 1 390.307 0.703 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C(F)F ZINC001571295370 946162023 /nfs/dbraw/zinc/16/20/23/946162023.db2.gz YZTVNJPTFOBHAT-MRVPVSSYSA-N -1 1 390.358 0.654 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C(F)F ZINC001571295370 946162028 /nfs/dbraw/zinc/16/20/28/946162028.db2.gz YZTVNJPTFOBHAT-MRVPVSSYSA-N -1 1 390.358 0.654 20 0 GCADMM Cc1nsc(N(C)[C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1-c1nn[n-]n1 ZINC001571295399 946162552 /nfs/dbraw/zinc/16/25/52/946162552.db2.gz RWCVJGFDPCFAAJ-CIQGVGRVSA-N -1 1 389.485 0.951 20 0 GCADMM Cc1nsc(N2C[C@@H](NC(=O)C3CC4(CCC4)C3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571295468 946163777 /nfs/dbraw/zinc/16/37/77/946163777.db2.gz UKSGYTSEONCMFI-NEPJUHHUSA-N -1 1 389.485 0.878 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573479796 946167628 /nfs/dbraw/zinc/16/76/28/946167628.db2.gz HJSALQBNHRCXPM-RNFRBKRXSA-N -1 1 386.869 0.808 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(N(C)C(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571295807 946174146 /nfs/dbraw/zinc/17/41/46/946174146.db2.gz GIFWZJHCZHOQSH-QGZVFWFLSA-N -1 1 390.423 0.521 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(N(C)C(=O)[C@@]3(F)CCOC3)CC2)n1 ZINC001571295807 946174153 /nfs/dbraw/zinc/17/41/53/946174153.db2.gz GIFWZJHCZHOQSH-QGZVFWFLSA-N -1 1 390.423 0.521 20 0 GCADMM CC[C@@H](F)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001571295826 946176687 /nfs/dbraw/zinc/17/66/87/946176687.db2.gz GZBRTWKTRAZTMX-GFCCVEGCSA-N -1 1 390.423 0.603 20 0 GCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC001571295820 946177421 /nfs/dbraw/zinc/17/74/21/946177421.db2.gz GSZRXLYEYDKOTI-LLVKDONJSA-N -1 1 390.400 0.458 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573481054 946179331 /nfs/dbraw/zinc/17/93/31/946179331.db2.gz NQOJHVITWFISBO-AAEUAGOBSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573481054 946179339 /nfs/dbraw/zinc/17/93/39/946179339.db2.gz NQOJHVITWFISBO-AAEUAGOBSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573481069 946179743 /nfs/dbraw/zinc/17/97/43/946179743.db2.gz NTUAHALBFYOSMD-GWCFXTLKSA-N -1 1 375.437 0.042 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)NC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573481069 946179758 /nfs/dbraw/zinc/17/97/58/946179758.db2.gz NTUAHALBFYOSMD-GWCFXTLKSA-N -1 1 375.437 0.042 20 0 GCADMM Cc1conc1C(=O)N1CCO[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571295944 946180047 /nfs/dbraw/zinc/18/00/47/946180047.db2.gz KCHYEAIAIWYZMF-JTQLQIEISA-N -1 1 390.429 0.881 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571296018 946181997 /nfs/dbraw/zinc/18/19/97/946181997.db2.gz MBLSJCHGOSQBSP-VXGBXAGGSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571296018 946182002 /nfs/dbraw/zinc/18/20/02/946182002.db2.gz MBLSJCHGOSQBSP-VXGBXAGGSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H](NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCC[C@H](C)C1 ZINC001571296117 946183911 /nfs/dbraw/zinc/18/39/11/946183911.db2.gz OJCTUJDCLXBGJW-SDDRHHMPSA-N -1 1 390.448 0.643 20 0 GCADMM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1ccc(F)s1 ZINC001571296423 946193980 /nfs/dbraw/zinc/19/39/80/946193980.db2.gz XLWHIXWGHDSRSO-SECBINFHSA-N -1 1 390.404 0.493 20 0 GCADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)c1ccc(F)s1 ZINC001571296423 946193990 /nfs/dbraw/zinc/19/39/90/946193990.db2.gz XLWHIXWGHDSRSO-SECBINFHSA-N -1 1 390.404 0.493 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001571296506 946196028 /nfs/dbraw/zinc/19/60/28/946196028.db2.gz ZPPAQZFHBKBZPC-KRWDZBQOSA-N -1 1 390.423 0.386 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)[C@]3(F)CCOC3)CC2)n1 ZINC001571296506 946196036 /nfs/dbraw/zinc/19/60/36/946196036.db2.gz ZPPAQZFHBKBZPC-KRWDZBQOSA-N -1 1 390.423 0.386 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3C)C2)c1-c1nn[n-]n1 ZINC001571297943 946200549 /nfs/dbraw/zinc/20/05/49/946200549.db2.gz FGCWYZYKTDBRBO-GHMZBOCLSA-N -1 1 390.473 0.337 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3CCCC(=O)N3C)C2)c1-c1nn[n-]n1 ZINC001571297944 946202447 /nfs/dbraw/zinc/20/24/47/946202447.db2.gz FGCWYZYKTDBRBO-MNOVXSKESA-N -1 1 390.473 0.337 20 0 GCADMM Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3C)[C@H]2C)c1-c1nn[n-]n1 ZINC001571298001 946203718 /nfs/dbraw/zinc/20/37/18/946203718.db2.gz GTLMGYRYWCTNLA-OUAUKWLOSA-N -1 1 390.473 0.336 20 0 GCADMM Cc1nsc(N2CC[C@@H](NC(=O)C[C@H]3CCCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571298251 946210992 /nfs/dbraw/zinc/21/09/92/946210992.db2.gz LGRDPSNYNGQWSL-GHMZBOCLSA-N -1 1 390.473 0.385 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573485399 946227006 /nfs/dbraw/zinc/22/70/06/946227006.db2.gz SASVTBBKKSZPTC-DGCLKSJQSA-N -1 1 387.448 0.047 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573485399 946227021 /nfs/dbraw/zinc/22/70/21/946227021.db2.gz SASVTBBKKSZPTC-DGCLKSJQSA-N -1 1 387.448 0.047 20 0 GCADMM Cc1nsc(N[C@H]2CCCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571298735 946227453 /nfs/dbraw/zinc/22/74/53/946227453.db2.gz QEGBNDKTXRWGQI-QFYYESIMSA-N -1 1 390.473 0.703 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001571298883 946232812 /nfs/dbraw/zinc/23/28/12/946232812.db2.gz LKTAXLQYSVRVMC-GUYCJALGSA-N -1 1 390.448 0.093 20 0 GCADMM CO[C@H](C(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001571298883 946232825 /nfs/dbraw/zinc/23/28/25/946232825.db2.gz LKTAXLQYSVRVMC-GUYCJALGSA-N -1 1 390.448 0.093 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573485963 946234541 /nfs/dbraw/zinc/23/45/41/946234541.db2.gz ZDYSZYAVIXEWID-LLVKDONJSA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573485963 946234550 /nfs/dbraw/zinc/23/45/50/946234550.db2.gz ZDYSZYAVIXEWID-LLVKDONJSA-N -1 1 387.448 0.188 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573485896 946234761 /nfs/dbraw/zinc/23/47/61/946234761.db2.gz AXXNGTPVFOTTKO-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573485896 946234771 /nfs/dbraw/zinc/23/47/71/946234771.db2.gz AXXNGTPVFOTTKO-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573485987 946236299 /nfs/dbraw/zinc/23/62/99/946236299.db2.gz BMMRZSAICGFMGG-RAIGVLPGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573485987 946236311 /nfs/dbraw/zinc/23/63/11/946236311.db2.gz BMMRZSAICGFMGG-RAIGVLPGSA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573486042 946237353 /nfs/dbraw/zinc/23/73/53/946237353.db2.gz BZVAYXWABCMNJJ-RAIGVLPGSA-N -1 1 387.448 0.329 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573486042 946237364 /nfs/dbraw/zinc/23/73/64/946237364.db2.gz BZVAYXWABCMNJJ-RAIGVLPGSA-N -1 1 387.448 0.329 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573486352 946237643 /nfs/dbraw/zinc/23/76/43/946237643.db2.gz DDNGJHQWUXWQTM-CQSZACIVSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573486352 946237650 /nfs/dbraw/zinc/23/76/50/946237650.db2.gz DDNGJHQWUXWQTM-CQSZACIVSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573486256 946238427 /nfs/dbraw/zinc/23/84/27/946238427.db2.gz CMBOHJGIZMXUHM-ZDUSSCGKSA-N -1 1 389.464 0.150 20 0 GCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573486256 946238439 /nfs/dbraw/zinc/23/84/39/946238439.db2.gz CMBOHJGIZMXUHM-ZDUSSCGKSA-N -1 1 389.464 0.150 20 0 GCADMM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822986386 946245447 /nfs/dbraw/zinc/24/54/47/946245447.db2.gz FRYIAIVXDRCONH-UHFFFAOYSA-N -1 1 384.381 0.768 20 0 GCADMM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822986386 946245456 /nfs/dbraw/zinc/24/54/56/946245456.db2.gz FRYIAIVXDRCONH-UHFFFAOYSA-N -1 1 384.381 0.768 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573487439 946250411 /nfs/dbraw/zinc/25/04/11/946250411.db2.gz OBPYJEKSXQJBGS-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573487439 946250417 /nfs/dbraw/zinc/25/04/17/946250417.db2.gz OBPYJEKSXQJBGS-DGCLKSJQSA-N -1 1 389.464 0.514 20 0 GCADMM Cc1nsc(NCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001571299446 946251340 /nfs/dbraw/zinc/25/13/40/946251340.db2.gz WJYXZQHKABVKTG-NSHDSACASA-N -1 1 390.473 0.561 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573487444 946252760 /nfs/dbraw/zinc/25/27/60/946252760.db2.gz OEPDEJSRWDFLNJ-CYBMUJFWSA-N -1 1 389.464 0.468 20 0 GCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573487444 946252767 /nfs/dbraw/zinc/25/27/67/946252767.db2.gz OEPDEJSRWDFLNJ-CYBMUJFWSA-N -1 1 389.464 0.468 20 0 GCADMM Cc1nsc(N[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)c1-c1nn[n-]n1 ZINC001571299558 946254779 /nfs/dbraw/zinc/25/47/79/946254779.db2.gz XDQUHVRWMYBGAU-MNOVXSKESA-N -1 1 390.473 0.561 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1Cc2ccccc2C1 ZINC001571299652 946256546 /nfs/dbraw/zinc/25/65/46/946256546.db2.gz YSUGRWNHJAQQNY-YGUOUDRMSA-N -1 1 390.451 0.800 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573487822 946259986 /nfs/dbraw/zinc/25/99/86/946259986.db2.gz UFGOGDXCWIKFHU-LPBLVHEISA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573487822 946259994 /nfs/dbraw/zinc/25/99/94/946259994.db2.gz UFGOGDXCWIKFHU-LPBLVHEISA-N -1 1 384.853 0.560 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573488120 946264244 /nfs/dbraw/zinc/26/42/44/946264244.db2.gz YMRHRGYAIMQZLY-DRZSPHRISA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573488120 946264256 /nfs/dbraw/zinc/26/42/56/946264256.db2.gz YMRHRGYAIMQZLY-DRZSPHRISA-N -1 1 387.448 0.268 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573488794 946278710 /nfs/dbraw/zinc/27/87/10/946278710.db2.gz MHSYQDSOWDUEDT-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573488794 946278717 /nfs/dbraw/zinc/27/87/17/946278717.db2.gz MHSYQDSOWDUEDT-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573488986 946281761 /nfs/dbraw/zinc/28/17/61/946281761.db2.gz SLRCWUXSFAGESR-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573488986 946281768 /nfs/dbraw/zinc/28/17/68/946281768.db2.gz SLRCWUXSFAGESR-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573488966 946282038 /nfs/dbraw/zinc/28/20/38/946282038.db2.gz RKFRNCLIYNBDIG-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573488966 946282047 /nfs/dbraw/zinc/28/20/47/946282047.db2.gz RKFRNCLIYNBDIG-LLVKDONJSA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573488967 946282613 /nfs/dbraw/zinc/28/26/13/946282613.db2.gz RKFRNCLIYNBDIG-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573488967 946282618 /nfs/dbraw/zinc/28/26/18/946282618.db2.gz RKFRNCLIYNBDIG-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM C[C@H]1CN(C(=O)c2ocnc2C(F)F)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571301759 946283950 /nfs/dbraw/zinc/28/39/50/946283950.db2.gz CFAJKRZCVWZLMI-JGVFFNPUSA-N -1 1 391.342 0.577 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573489061 946284264 /nfs/dbraw/zinc/28/42/64/946284264.db2.gz WGBZXGYRSKQUAZ-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573489061 946284273 /nfs/dbraw/zinc/28/42/73/946284273.db2.gz WGBZXGYRSKQUAZ-NSHDSACASA-N -1 1 387.448 0.412 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573489089 946284601 /nfs/dbraw/zinc/28/46/01/946284601.db2.gz XCSBZFZPNNEVAW-QWRGUYRKSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001573489089 946284608 /nfs/dbraw/zinc/28/46/08/946284608.db2.gz XCSBZFZPNNEVAW-QWRGUYRKSA-N -1 1 387.448 0.411 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573489080 946286130 /nfs/dbraw/zinc/28/61/30/946286130.db2.gz WYNIVAGVNQTKOL-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573489080 946286141 /nfs/dbraw/zinc/28/61/41/946286141.db2.gz WYNIVAGVNQTKOL-LLVKDONJSA-N -1 1 387.448 0.364 20 0 GCADMM CN(C(=O)c1ocnc1C(F)F)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571302079 946292145 /nfs/dbraw/zinc/29/21/45/946292145.db2.gz NKSUDFIDAMPYSD-MRVPVSSYSA-N -1 1 391.342 0.933 20 0 GCADMM CN(C(=O)c1ocnc1C(F)F)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571302079 946292159 /nfs/dbraw/zinc/29/21/59/946292159.db2.gz NKSUDFIDAMPYSD-MRVPVSSYSA-N -1 1 391.342 0.933 20 0 GCADMM O=C(NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571302610 946306800 /nfs/dbraw/zinc/30/68/00/946306800.db2.gz CSLSWWHOXXNSDU-HRDQMINSSA-N -1 1 391.439 0.773 20 0 GCADMM O=C(NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571302610 946306807 /nfs/dbraw/zinc/30/68/07/946306807.db2.gz CSLSWWHOXXNSDU-HRDQMINSSA-N -1 1 391.439 0.773 20 0 GCADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571302665 946310931 /nfs/dbraw/zinc/31/09/31/946310931.db2.gz DXNUFOMYYOPTIL-QLFBSQMISA-N -1 1 391.439 0.680 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001571302870 946318999 /nfs/dbraw/zinc/31/89/99/946318999.db2.gz IBLPIPNGDVIWSR-FMKPAKJESA-N -1 1 391.439 0.829 20 0 GCADMM Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001571302870 946319011 /nfs/dbraw/zinc/31/90/11/946319011.db2.gz IBLPIPNGDVIWSR-FMKPAKJESA-N -1 1 391.439 0.829 20 0 GCADMM O=C(c1cccnc1C1CC1)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303007 946322040 /nfs/dbraw/zinc/32/20/40/946322040.db2.gz JDVBPGHGUOUEEK-LBPRGKRZSA-N -1 1 391.439 0.925 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H]3Cc4cccnc4C3)C2)n1 ZINC001571303154 946325449 /nfs/dbraw/zinc/32/54/49/946325449.db2.gz ITVXYYIPTREKBH-KGLIPLIRSA-N -1 1 391.439 0.470 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H]3Cc4cccnc4C3)C2)n1 ZINC001571303154 946325461 /nfs/dbraw/zinc/32/54/61/946325461.db2.gz ITVXYYIPTREKBH-KGLIPLIRSA-N -1 1 391.439 0.470 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2CCc3cccnc32)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571303124 946326751 /nfs/dbraw/zinc/32/67/51/946326751.db2.gz HYAABPCAGQZHKB-BFUOFWGJSA-N -1 1 391.439 0.867 20 0 GCADMM C[C@@]1(NC(=O)[C@@H]2CCc3cccnc32)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571303124 946326763 /nfs/dbraw/zinc/32/67/63/946326763.db2.gz HYAABPCAGQZHKB-BFUOFWGJSA-N -1 1 391.439 0.867 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1Cc2cccnc2C1 ZINC001571303256 946329513 /nfs/dbraw/zinc/32/95/13/946329513.db2.gz MRYHJYIJOYUSBJ-UBHSHLNASA-N -1 1 391.439 0.773 20 0 GCADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1Cc2cccnc2C1 ZINC001571303256 946329526 /nfs/dbraw/zinc/32/95/26/946329526.db2.gz MRYHJYIJOYUSBJ-UBHSHLNASA-N -1 1 391.439 0.773 20 0 GCADMM O=C(CN1CCc2ccccc21)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571303309 946331097 /nfs/dbraw/zinc/33/10/97/946331097.db2.gz OQOCOONTUPLKFG-CQSZACIVSA-N -1 1 391.439 0.732 20 0 GCADMM O=C(CN1CCc2ccccc21)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571303309 946331110 /nfs/dbraw/zinc/33/11/10/946331110.db2.gz OQOCOONTUPLKFG-CQSZACIVSA-N -1 1 391.439 0.732 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)ccn1 ZINC001571303310 946331995 /nfs/dbraw/zinc/33/19/95/946331995.db2.gz OQVORTOPCDFSIX-KBPBESRZSA-N -1 1 391.439 0.935 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1Cc2cccnc2C1 ZINC001571303431 946335702 /nfs/dbraw/zinc/33/57/02/946335702.db2.gz QUSONIVDYAWEBG-KGLIPLIRSA-N -1 1 391.439 0.552 20 0 GCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1Cc2cccnc2C1 ZINC001571303431 946335714 /nfs/dbraw/zinc/33/57/14/946335714.db2.gz QUSONIVDYAWEBG-KGLIPLIRSA-N -1 1 391.439 0.552 20 0 GCADMM O=C(Cc1cccnc1)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571303458 946337695 /nfs/dbraw/zinc/33/76/95/946337695.db2.gz RCIQTUHWRTVIPV-KUHUBIRLSA-N -1 1 391.439 0.912 20 0 GCADMM CC(=O)N[C@H]1CCN(C(=O)C2CCN(c3oc(C)nc3-c3nn[n-]n3)CC2)C1 ZINC001573496963 946337778 /nfs/dbraw/zinc/33/77/78/946337778.db2.gz IJUYAOJQRICODF-ZDUSSCGKSA-N -1 1 388.432 0.117 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573501452 946380637 /nfs/dbraw/zinc/38/06/37/946380637.db2.gz OVTQDVIIAUNRNO-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM CC(=O)NCC(=O)N1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573501452 946380645 /nfs/dbraw/zinc/38/06/45/946380645.db2.gz OVTQDVIIAUNRNO-POYBYMJQSA-N -1 1 384.853 0.514 20 0 GCADMM O=C(c1nc(Cl)cs1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571305992 946385865 /nfs/dbraw/zinc/38/58/65/946385865.db2.gz NLPSGPCBUSVQOL-QMMMGPOBSA-N -1 1 391.848 0.905 20 0 GCADMM CC(=O)NCC(=O)N1CCC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573503733 946398885 /nfs/dbraw/zinc/39/88/85/946398885.db2.gz BKYKYTPVDCSPOF-UHFFFAOYSA-N -1 1 384.853 0.516 20 0 GCADMM CC(=O)NCC(=O)N1CCC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573503733 946398897 /nfs/dbraw/zinc/39/88/97/946398897.db2.gz BKYKYTPVDCSPOF-UHFFFAOYSA-N -1 1 384.853 0.516 20 0 GCADMM Cc1nsc(N2CCC[C@@H](CNC(=O)C3=COCCO3)C2)c1-c1nn[n-]n1 ZINC001571306426 946400719 /nfs/dbraw/zinc/40/07/19/946400719.db2.gz KRLCCWCOMWWXCP-NSHDSACASA-N -1 1 391.457 0.852 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573504603 946411021 /nfs/dbraw/zinc/41/10/21/946411021.db2.gz HTDNINBWJXZSSW-NSHDSACASA-N -1 1 378.462 0.195 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573504819 946414944 /nfs/dbraw/zinc/41/49/44/946414944.db2.gz KTTRIXBQGVSRLD-NSHDSACASA-N -1 1 378.462 0.052 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573506050 946428850 /nfs/dbraw/zinc/42/88/50/946428850.db2.gz ORSQWEXCIKCZLO-GFCCVEGCSA-N -1 1 392.489 0.808 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573506691 946435121 /nfs/dbraw/zinc/43/51/21/946435121.db2.gz ROGAYORUORPKOB-DGCLKSJQSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573506691 946435125 /nfs/dbraw/zinc/43/51/25/946435125.db2.gz ROGAYORUORPKOB-DGCLKSJQSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573506690 946435262 /nfs/dbraw/zinc/43/52/62/946435262.db2.gz ROGAYORUORPKOB-AAEUAGOBSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573506690 946435270 /nfs/dbraw/zinc/43/52/70/946435270.db2.gz ROGAYORUORPKOB-AAEUAGOBSA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@H]2[C@H](CCN2c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573506761 946437824 /nfs/dbraw/zinc/43/78/24/946437824.db2.gz TVUSXQXNOREDJD-NEPJUHHUSA-N -1 1 390.473 0.195 20 0 GCADMM CC(=O)NCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573507112 946443334 /nfs/dbraw/zinc/44/33/34/946443334.db2.gz UZRWCMKXGDROGS-LDYMZIIASA-N -1 1 378.462 0.417 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2ccccc2O1 ZINC001571309444 946444671 /nfs/dbraw/zinc/44/46/71/946444671.db2.gz ABBGMGPUPYRPQN-CJNGLKHVSA-N -1 1 392.423 0.745 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2ccccc2O1 ZINC001571309444 946444680 /nfs/dbraw/zinc/44/46/80/946444680.db2.gz ABBGMGPUPYRPQN-CJNGLKHVSA-N -1 1 392.423 0.745 20 0 GCADMM O=C([C@@H]1COc2ccccc2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309569 946448771 /nfs/dbraw/zinc/44/87/71/946448771.db2.gz DKSYUNRYCZWEKF-UONOGXRCSA-N -1 1 392.423 0.921 20 0 GCADMM O=C([C@@H]1COc2ccccc2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309569 946448780 /nfs/dbraw/zinc/44/87/80/946448780.db2.gz DKSYUNRYCZWEKF-UONOGXRCSA-N -1 1 392.423 0.921 20 0 GCADMM O=C([C@@H]1COc2ccccc2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309567 946449637 /nfs/dbraw/zinc/44/96/37/946449637.db2.gz DKSYUNRYCZWEKF-KBPBESRZSA-N -1 1 392.423 0.921 20 0 GCADMM O=C([C@@H]1COc2ccccc2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309567 946449643 /nfs/dbraw/zinc/44/96/43/946449643.db2.gz DKSYUNRYCZWEKF-KBPBESRZSA-N -1 1 392.423 0.921 20 0 GCADMM Cn1c(=O)[nH]c(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(-c2nn[n-]n2)c1=O ZINC001571309676 946450529 /nfs/dbraw/zinc/45/05/29/946450529.db2.gz HKYSOFJXSHHDGB-SECBINFHSA-N -1 1 392.420 0.477 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cccc3c2OCC3)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571309710 946451848 /nfs/dbraw/zinc/45/18/48/946451848.db2.gz IJCHFIYQZLOWGU-RISCZKNCSA-N -1 1 392.423 0.989 20 0 GCADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@@H]1Cc2ccccc2O1 ZINC001571309876 946454560 /nfs/dbraw/zinc/45/45/60/946454560.db2.gz NUQINITZUCZENI-HIFRSBDPSA-N -1 1 392.423 0.745 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573508358 946455730 /nfs/dbraw/zinc/45/57/30/946455730.db2.gz ZSBNURDLXPXRNC-CYBMUJFWSA-N -1 1 387.448 0.142 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573508358 946455736 /nfs/dbraw/zinc/45/57/36/946455736.db2.gz ZSBNURDLXPXRNC-CYBMUJFWSA-N -1 1 387.448 0.142 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573508356 946455782 /nfs/dbraw/zinc/45/57/82/946455782.db2.gz ZOWOEXQERVBUPV-RISCZKNCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573508356 946455789 /nfs/dbraw/zinc/45/57/89/946455789.db2.gz ZOWOEXQERVBUPV-RISCZKNCSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](Oc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571309888 946456429 /nfs/dbraw/zinc/45/64/29/946456429.db2.gz OGHTZJZYVKFTAR-RDBSUJKOSA-N -1 1 392.423 0.914 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571309885 946457377 /nfs/dbraw/zinc/45/73/77/946457377.db2.gz NZMJGXHEJMDFPA-GFCCVEGCSA-N -1 1 392.423 0.943 20 0 GCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571309885 946457382 /nfs/dbraw/zinc/45/73/82/946457382.db2.gz NZMJGXHEJMDFPA-GFCCVEGCSA-N -1 1 392.423 0.943 20 0 GCADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc2c(c1)CCO2 ZINC001571309941 946457548 /nfs/dbraw/zinc/45/75/48/946457548.db2.gz PXWWOPCIZZVENR-LBPRGKRZSA-N -1 1 392.423 0.848 20 0 GCADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc2c(c1)CCO2 ZINC001571309941 946457550 /nfs/dbraw/zinc/45/75/50/946457550.db2.gz PXWWOPCIZZVENR-LBPRGKRZSA-N -1 1 392.423 0.848 20 0 GCADMM Cn1c(=O)[nH]c(NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(-c2nn[n-]n2)c1=O ZINC001571310117 946462104 /nfs/dbraw/zinc/46/21/04/946462104.db2.gz VRYKVTYRNCVLMY-KYZUINATSA-N -1 1 392.420 0.381 20 0 GCADMM O=C(Cc1ccc2c(c1)COC2)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571310094 946462140 /nfs/dbraw/zinc/46/21/40/946462140.db2.gz UZJPDMXYZLHKPN-UHFFFAOYSA-N -1 1 392.423 0.578 20 0 GCADMM CC(=O)NCC(=O)N1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573510013 946469720 /nfs/dbraw/zinc/46/97/20/946469720.db2.gz VYFRKOIZUHDHLF-UHFFFAOYSA-N -1 1 384.853 0.151 20 0 GCADMM CC(=O)NCC(=O)N1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573510013 946469724 /nfs/dbraw/zinc/46/97/24/946469724.db2.gz VYFRKOIZUHDHLF-UHFFFAOYSA-N -1 1 384.853 0.151 20 0 GCADMM Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2COC(=O)N2)c1-c1nn[n-]n1 ZINC001571310558 946474882 /nfs/dbraw/zinc/47/48/82/946474882.db2.gz IZLSQZHMDSRSHR-UWVGGRQHSA-N -1 1 392.445 0.533 20 0 GCADMM O=C(c1n[nH]c2c1CCC2)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571310602 946474941 /nfs/dbraw/zinc/47/49/41/946474941.db2.gz KKIVVYXGUZSLNX-IINYFYTJSA-N -1 1 392.427 0.219 20 0 GCADMM O=C(c1n[nH]c2c1CCC2)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571310602 946474945 /nfs/dbraw/zinc/47/49/45/946474945.db2.gz KKIVVYXGUZSLNX-IINYFYTJSA-N -1 1 392.427 0.219 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573510488 946480231 /nfs/dbraw/zinc/48/02/31/946480231.db2.gz INYSMNHQUGMGMT-UGSOOPFHSA-N -1 1 399.459 0.142 20 0 GCADMM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573510488 946480236 /nfs/dbraw/zinc/48/02/36/946480236.db2.gz INYSMNHQUGMGMT-UGSOOPFHSA-N -1 1 399.459 0.142 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@H](F)CC)C[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571311037 946480603 /nfs/dbraw/zinc/48/06/03/946480603.db2.gz QIBASDZVSPEDHJ-YRGRVCCFSA-N -1 1 392.439 0.989 20 0 GCADMM CCO[C@@H]1CN(C(=O)[C@H](F)CC)C[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571311037 946480606 /nfs/dbraw/zinc/48/06/06/946480606.db2.gz QIBASDZVSPEDHJ-YRGRVCCFSA-N -1 1 392.439 0.989 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573510782 946481995 /nfs/dbraw/zinc/48/19/95/946481995.db2.gz KVLQAKJWBNPDTR-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@H](C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573510782 946482000 /nfs/dbraw/zinc/48/20/00/946482000.db2.gz KVLQAKJWBNPDTR-RQJHMYQMSA-N -1 1 386.869 0.808 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573511398 946484842 /nfs/dbraw/zinc/48/48/42/946484842.db2.gz PEHWPSAVJOXXAL-JOYOIKCWSA-N -1 1 392.489 0.489 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC[C@@H]1C ZINC001573511565 946486968 /nfs/dbraw/zinc/48/69/68/946486968.db2.gz BOJQUTIQQOGWGE-GTNSWQLSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC[C@@H]1C ZINC001573511565 946486973 /nfs/dbraw/zinc/48/69/73/946486973.db2.gz BOJQUTIQQOGWGE-GTNSWQLSSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC[C@H]1C ZINC001573511567 946487137 /nfs/dbraw/zinc/48/71/37/946487137.db2.gz BOJQUTIQQOGWGE-PIGZYNQJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC[C@H]1C ZINC001573511567 946487141 /nfs/dbraw/zinc/48/71/41/946487141.db2.gz BOJQUTIQQOGWGE-PIGZYNQJSA-N -1 1 387.448 0.270 20 0 GCADMM Cc1nsc(NCC[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nn[n-]n1 ZINC001571311503 946488722 /nfs/dbraw/zinc/48/87/22/946488722.db2.gz ZJBHTLGQYHQJTL-UWVGGRQHSA-N -1 1 392.445 0.391 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)c1cccc(C2CC2)c1 ZINC001571312381 946489181 /nfs/dbraw/zinc/48/91/81/946489181.db2.gz BFANTGWMEGXUTA-HZPDHXFCSA-N -1 1 392.423 0.514 20 0 GCADMM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)c1cccc(C2CC2)c1 ZINC001571312381 946489188 /nfs/dbraw/zinc/48/91/88/946489188.db2.gz BFANTGWMEGXUTA-HZPDHXFCSA-N -1 1 392.423 0.514 20 0 GCADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)c1ccncn1 ZINC001571312356 946489329 /nfs/dbraw/zinc/48/93/29/946489329.db2.gz ACLUJRVAJIWUES-CLLJXQQHSA-N -1 1 392.427 0.624 20 0 GCADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)c1ccncn1 ZINC001571312356 946489332 /nfs/dbraw/zinc/48/93/32/946489332.db2.gz ACLUJRVAJIWUES-CLLJXQQHSA-N -1 1 392.427 0.624 20 0 GCADMM O=C(c1cc2n(n1)CCCC2)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571312493 946493339 /nfs/dbraw/zinc/49/33/39/946493339.db2.gz FWHSIORPHZPPRH-STQMWFEESA-N -1 1 392.427 0.293 20 0 GCADMM O=C(c1cc2n(n1)CCCC2)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571312493 946493349 /nfs/dbraw/zinc/49/33/49/946493349.db2.gz FWHSIORPHZPPRH-STQMWFEESA-N -1 1 392.427 0.293 20 0 GCADMM Cc1ncncc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571312563 946495294 /nfs/dbraw/zinc/49/52/94/946495294.db2.gz HMGXVBYAOWYSFZ-BETUJISGSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1ncncc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571312563 946495300 /nfs/dbraw/zinc/49/53/00/946495300.db2.gz HMGXVBYAOWYSFZ-BETUJISGSA-N -1 1 392.427 0.639 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1cnc2n1CCC2 ZINC001571312608 946495977 /nfs/dbraw/zinc/49/59/77/946495977.db2.gz ITHFPZHKHIIIOG-WZRBSPASSA-N -1 1 392.427 0.339 20 0 GCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1cnc2n1CCC2 ZINC001571312608 946495982 /nfs/dbraw/zinc/49/59/82/946495982.db2.gz ITHFPZHKHIIIOG-WZRBSPASSA-N -1 1 392.427 0.339 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccc(C2CC2)cc1 ZINC001571312572 946496030 /nfs/dbraw/zinc/49/60/30/946496030.db2.gz HTOAYZXYAMHJFL-HZPDHXFCSA-N -1 1 392.423 0.514 20 0 GCADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccc(C2CC2)cc1 ZINC001571312572 946496038 /nfs/dbraw/zinc/49/60/38/946496038.db2.gz HTOAYZXYAMHJFL-HZPDHXFCSA-N -1 1 392.423 0.514 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001571312631 946498084 /nfs/dbraw/zinc/49/80/84/946498084.db2.gz JFBKXGAWKGTHRE-SWLSCSKDSA-N -1 1 392.427 0.578 20 0 GCADMM O=C(c1cnccn1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001571312631 946498093 /nfs/dbraw/zinc/49/80/93/946498093.db2.gz JFBKXGAWKGTHRE-SWLSCSKDSA-N -1 1 392.427 0.578 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001573512665 946502946 /nfs/dbraw/zinc/50/29/46/946502946.db2.gz ZIIUTAVRRBJOAG-AWEZNQCLSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001573512665 946502955 /nfs/dbraw/zinc/50/29/55/946502955.db2.gz ZIIUTAVRRBJOAG-AWEZNQCLSA-N -1 1 387.448 0.270 20 0 GCADMM CCc1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571312920 946505563 /nfs/dbraw/zinc/50/55/63/946505563.db2.gz MANRZEKEWXWYTQ-SWHYSGLUSA-N -1 1 392.427 0.549 20 0 GCADMM CCc1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571312920 946505571 /nfs/dbraw/zinc/50/55/71/946505571.db2.gz MANRZEKEWXWYTQ-SWHYSGLUSA-N -1 1 392.427 0.549 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573513363 946510669 /nfs/dbraw/zinc/51/06/69/946510669.db2.gz MVCJLGSHUXHCNK-WDEREUQCSA-N -1 1 378.462 0.465 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571313136 946512260 /nfs/dbraw/zinc/51/22/60/946512260.db2.gz OQXBPDFMOSJASA-GJZGRUSLSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571313136 946512267 /nfs/dbraw/zinc/51/22/67/946512267.db2.gz OQXBPDFMOSJASA-GJZGRUSLSA-N -1 1 392.427 0.639 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573513699 946512945 /nfs/dbraw/zinc/51/29/45/946512945.db2.gz PJMMRFOKFBHQNP-ZDUSSCGKSA-N -1 1 384.853 0.198 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573513699 946512956 /nfs/dbraw/zinc/51/29/56/946512956.db2.gz PJMMRFOKFBHQNP-ZDUSSCGKSA-N -1 1 384.853 0.198 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)cc1C1CC1 ZINC001571313105 946513152 /nfs/dbraw/zinc/51/31/52/946513152.db2.gz NVUHGXBPUDHNPI-YABSGUDNSA-N -1 1 392.427 0.132 20 0 GCADMM Cn1nc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)cc1C1CC1 ZINC001571313105 946513160 /nfs/dbraw/zinc/51/31/60/946513160.db2.gz NVUHGXBPUDHNPI-YABSGUDNSA-N -1 1 392.427 0.132 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571313150 946513359 /nfs/dbraw/zinc/51/33/59/946513359.db2.gz OXRITHOKJYGKRZ-KBPBESRZSA-N -1 1 392.427 0.639 20 0 GCADMM Cc1nnccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571313150 946513361 /nfs/dbraw/zinc/51/33/61/946513361.db2.gz OXRITHOKJYGKRZ-KBPBESRZSA-N -1 1 392.427 0.639 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCCC[C@H]1C ZINC001573514149 946519782 /nfs/dbraw/zinc/51/97/82/946519782.db2.gz SVJZMLVDWBXVML-PIGZYNQJSA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCCC[C@H]1C ZINC001573514149 946519786 /nfs/dbraw/zinc/51/97/86/946519786.db2.gz SVJZMLVDWBXVML-PIGZYNQJSA-N -1 1 387.448 0.270 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)c4ccnnc4)[C@@H]3C2)n1 ZINC001571313349 946521364 /nfs/dbraw/zinc/52/13/64/946521364.db2.gz QAXPRDMCRPSJPE-XYYAHUGASA-N -1 1 392.427 0.121 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)c4ccnnc4)[C@@H]3C2)n1 ZINC001571313349 946521370 /nfs/dbraw/zinc/52/13/70/946521370.db2.gz QAXPRDMCRPSJPE-XYYAHUGASA-N -1 1 392.427 0.121 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC[C@@H]1C ZINC001573514138 946521415 /nfs/dbraw/zinc/52/14/15/946521415.db2.gz SQVLWRGTKKVZIS-APPDUMDISA-N -1 1 387.448 0.270 20 0 GCADMM CC(=O)NCC(=O)N[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC[C@@H]1C ZINC001573514138 946521424 /nfs/dbraw/zinc/52/14/24/946521424.db2.gz SQVLWRGTKKVZIS-APPDUMDISA-N -1 1 387.448 0.270 20 0 GCADMM Cc1ccnc(C(=O)N[C@]23CCC[C@@H]2N(c2nccnc2-c2nnn[n-]2)CC3)n1 ZINC001571313567 946526389 /nfs/dbraw/zinc/52/63/89/946526389.db2.gz RWCASGVSUXDVSQ-SGTLLEGYSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1ccnc(C(=O)N[C@]23CCC[C@@H]2N(c2nccnc2-c2nn[n-]n2)CC3)n1 ZINC001571313567 946526392 /nfs/dbraw/zinc/52/63/92/946526392.db2.gz RWCASGVSUXDVSQ-SGTLLEGYSA-N -1 1 392.427 0.687 20 0 GCADMM Cc1ncncc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313695 946530390 /nfs/dbraw/zinc/53/03/90/946530390.db2.gz VNAKHJQUEFVSKM-GXTWGEPZSA-N -1 1 392.427 0.496 20 0 GCADMM O=C(c1occ2c1CCC2)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571313855 946535679 /nfs/dbraw/zinc/53/56/79/946535679.db2.gz WQSPBCMOKHGKAQ-BETUJISGSA-N -1 1 392.423 0.947 20 0 GCADMM O=C(c1occ2c1CCC2)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571313855 946535687 /nfs/dbraw/zinc/53/56/87/946535687.db2.gz WQSPBCMOKHGKAQ-BETUJISGSA-N -1 1 392.423 0.947 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573517536 946576391 /nfs/dbraw/zinc/57/63/91/946576391.db2.gz MQSBBWPYOHNBTF-ZDUSSCGKSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573517536 946576402 /nfs/dbraw/zinc/57/64/02/946576402.db2.gz MQSBBWPYOHNBTF-ZDUSSCGKSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573517535 946576843 /nfs/dbraw/zinc/57/68/43/946576843.db2.gz MQSBBWPYOHNBTF-CYBMUJFWSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573517535 946576847 /nfs/dbraw/zinc/57/68/47/946576847.db2.gz MQSBBWPYOHNBTF-CYBMUJFWSA-N -1 1 381.400 0.062 20 0 GCADMM CC(=O)NCC(=O)NC[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573518038 946584560 /nfs/dbraw/zinc/58/45/60/946584560.db2.gz WNFPIFFKDDPPMW-QMMMGPOBSA-N -1 1 384.853 0.055 20 0 GCADMM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824109885 946592515 /nfs/dbraw/zinc/59/25/15/946592515.db2.gz YIUABPYGTLHRIT-JTQLQIEISA-N -1 1 391.388 0.280 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573521211 946605773 /nfs/dbraw/zinc/60/57/73/946605773.db2.gz UHOTYPBABGARPD-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573521211 946605776 /nfs/dbraw/zinc/60/57/76/946605776.db2.gz UHOTYPBABGARPD-ZKCHVHJHSA-N -1 1 384.853 0.419 20 0 GCADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)CN3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571317656 946616632 /nfs/dbraw/zinc/61/66/32/946616632.db2.gz PXTIIVDKSBAKOJ-GFCCVEGCSA-N -1 1 392.489 0.001 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O)c1ccccn1 ZINC001571317730 946618433 /nfs/dbraw/zinc/61/84/33/946618433.db2.gz SUROSRQVJBPYSV-RKDXNWHRSA-N -1 1 392.832 0.351 20 0 GCADMM O=C(N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O)c1ccccn1 ZINC001571317730 946618440 /nfs/dbraw/zinc/61/84/40/946618440.db2.gz SUROSRQVJBPYSV-RKDXNWHRSA-N -1 1 392.832 0.351 20 0 GCADMM CS[C@H](C)C(=O)N1CCC(O)(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571317752 946618798 /nfs/dbraw/zinc/61/87/98/946618798.db2.gz UGNNOGXQROKBEL-LLVKDONJSA-N -1 1 392.489 0.482 20 0 GCADMM CS[C@H](C)C(=O)N1CCC(O)(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571317752 946618804 /nfs/dbraw/zinc/61/88/04/946618804.db2.gz UGNNOGXQROKBEL-LLVKDONJSA-N -1 1 392.489 0.482 20 0 GCADMM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1Nc1snc(C)c1-c1nn[n-]n1 ZINC001573522018 946620521 /nfs/dbraw/zinc/62/05/21/946620521.db2.gz VLXQYCJOQOMSTH-GHMZBOCLSA-N -1 1 378.462 0.607 20 0 GCADMM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)[C@H]1CCCCO1 ZINC001571317789 946621263 /nfs/dbraw/zinc/62/12/63/946621263.db2.gz VXOLUBSUJIXUHM-GXTWGEPZSA-N -1 1 392.485 0.814 20 0 GCADMM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCOC1 ZINC001571317948 946624583 /nfs/dbraw/zinc/62/45/83/946624583.db2.gz ZTUSNWMUKZZNEI-STQMWFEESA-N -1 1 392.485 0.672 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1csc(Cl)c1 ZINC001571317923 946624633 /nfs/dbraw/zinc/62/46/33/946624633.db2.gz YTCVANJPGALFPB-ZJUUUORDSA-N -1 1 392.832 0.351 20 0 GCADMM O=C(N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1csc(Cl)c1 ZINC001571317923 946624638 /nfs/dbraw/zinc/62/46/38/946624638.db2.gz YTCVANJPGALFPB-ZJUUUORDSA-N -1 1 392.832 0.351 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573522461 946627555 /nfs/dbraw/zinc/62/75/55/946627555.db2.gz GIJWUMIWFJNZQX-ZDUSSCGKSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573522461 946627562 /nfs/dbraw/zinc/62/75/62/946627562.db2.gz GIJWUMIWFJNZQX-ZDUSSCGKSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573522435 946628052 /nfs/dbraw/zinc/62/80/52/946628052.db2.gz FSAQUKVPIPXBFO-WDEREUQCSA-N -1 1 389.464 0.433 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573522435 946628060 /nfs/dbraw/zinc/62/80/60/946628060.db2.gz FSAQUKVPIPXBFO-WDEREUQCSA-N -1 1 389.464 0.433 20 0 GCADMM CC(C)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)Nc1nccs1 ZINC000824235089 946628394 /nfs/dbraw/zinc/62/83/94/946628394.db2.gz BSDUDHWJGVSGQQ-VIFPVBQESA-N -1 1 390.433 0.084 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573522940 946631584 /nfs/dbraw/zinc/63/15/84/946631584.db2.gz NFNXXBUCBBUNIK-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573522940 946631589 /nfs/dbraw/zinc/63/15/89/946631589.db2.gz NFNXXBUCBBUNIK-GFCCVEGCSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573522912 946631675 /nfs/dbraw/zinc/63/16/75/946631675.db2.gz MXVSLKOTWPCAJR-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573522912 946631683 /nfs/dbraw/zinc/63/16/83/946631683.db2.gz MXVSLKOTWPCAJR-UWVGGRQHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573522951 946632379 /nfs/dbraw/zinc/63/23/79/946632379.db2.gz NHJQJXZWTLFGFS-UHFFFAOYSA-N -1 1 391.501 0.733 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573523111 946634413 /nfs/dbraw/zinc/63/44/13/946634413.db2.gz OENIVSDQGBQXSN-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573523111 946634422 /nfs/dbraw/zinc/63/44/22/946634422.db2.gz OENIVSDQGBQXSN-SNVBAGLBSA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573523165 946635088 /nfs/dbraw/zinc/63/50/88/946635088.db2.gz PCDOXAFMDBZOLA-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573523165 946635093 /nfs/dbraw/zinc/63/50/93/946635093.db2.gz PCDOXAFMDBZOLA-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573523904 946638227 /nfs/dbraw/zinc/63/82/27/946638227.db2.gz XWVAJWRVEXYHBP-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573523904 946638233 /nfs/dbraw/zinc/63/82/33/946638233.db2.gz XWVAJWRVEXYHBP-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001573523823 946638826 /nfs/dbraw/zinc/63/88/26/946638826.db2.gz XFPNDGDKDABIFO-GWCFXTLKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001573523823 946638832 /nfs/dbraw/zinc/63/88/32/946638832.db2.gz XFPNDGDKDABIFO-GWCFXTLKSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573527732 946645522 /nfs/dbraw/zinc/64/55/22/946645522.db2.gz GDMMXYSJPHTXFC-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573527732 946645528 /nfs/dbraw/zinc/64/55/28/946645528.db2.gz GDMMXYSJPHTXFC-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573527934 946651195 /nfs/dbraw/zinc/65/11/95/946651195.db2.gz LZGQPFYQDADHQB-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573527934 946651201 /nfs/dbraw/zinc/65/12/01/946651201.db2.gz LZGQPFYQDADHQB-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573527972 946653097 /nfs/dbraw/zinc/65/30/97/946653097.db2.gz NRTSLALRMJXCSB-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573527972 946653102 /nfs/dbraw/zinc/65/31/02/946653102.db2.gz NRTSLALRMJXCSB-UHFFFAOYSA-N -1 1 387.448 0.126 20 0 GCADMM CC(=O)NCc1ccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573533699 946720682 /nfs/dbraw/zinc/72/06/82/946720682.db2.gz XDFFHGIELRCOGR-UHFFFAOYSA-N -1 1 381.400 0.135 20 0 GCADMM CC(=O)NCc1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573533699 946720690 /nfs/dbraw/zinc/72/06/90/946720690.db2.gz XDFFHGIELRCOGR-UHFFFAOYSA-N -1 1 381.400 0.135 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)C(C)C ZINC001573535427 946721688 /nfs/dbraw/zinc/72/16/88/946721688.db2.gz GDNMDRZRBGNLJM-QWHCGFSZSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)C(C)C ZINC001573535427 946721698 /nfs/dbraw/zinc/72/16/98/946721698.db2.gz GDNMDRZRBGNLJM-QWHCGFSZSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001573535800 946724697 /nfs/dbraw/zinc/72/46/97/946724697.db2.gz JOBHZKIDQRFIML-LALPHHSUSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001573535800 946724706 /nfs/dbraw/zinc/72/47/06/946724706.db2.gz JOBHZKIDQRFIML-LALPHHSUSA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573536116 946730196 /nfs/dbraw/zinc/73/01/96/946730196.db2.gz PJWPOYRQHAEMMB-PRHODGIISA-N -1 1 380.478 0.709 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001573536175 946733034 /nfs/dbraw/zinc/73/30/34/946733034.db2.gz RBHQWGDZZSVFSB-QMTHXVAHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001573536175 946733044 /nfs/dbraw/zinc/73/30/44/946733044.db2.gz RBHQWGDZZSVFSB-QMTHXVAHSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C)C(C)C ZINC001573536402 946734518 /nfs/dbraw/zinc/73/45/18/946734518.db2.gz WGTIRHFEWPEWGT-IUODEOHRSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C)C(C)C ZINC001573536402 946734519 /nfs/dbraw/zinc/73/45/19/946734519.db2.gz WGTIRHFEWPEWGT-IUODEOHRSA-N -1 1 389.464 0.370 20 0 GCADMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1)C(C)C ZINC001573536646 946737672 /nfs/dbraw/zinc/73/76/72/946737672.db2.gz ZWXTXGOBNQMIOM-NTZNESFSSA-N -1 1 392.489 0.851 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536627 946738788 /nfs/dbraw/zinc/73/87/88/946738788.db2.gz ZPWNLCQNTLYXKF-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536627 946738795 /nfs/dbraw/zinc/73/87/95/946738795.db2.gz ZPWNLCQNTLYXKF-IINYFYTJSA-N -1 1 375.437 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001573536729 946739961 /nfs/dbraw/zinc/73/99/61/946739961.db2.gz AZNDJBJMARAXMT-CHWSQXEVSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001573536729 946739969 /nfs/dbraw/zinc/73/99/69/946739969.db2.gz AZNDJBJMARAXMT-CHWSQXEVSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001573537407 946748194 /nfs/dbraw/zinc/74/81/94/946748194.db2.gz NJZDRPFZRHPBHB-KOHJWAIASA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001573537407 946748201 /nfs/dbraw/zinc/74/82/01/946748201.db2.gz NJZDRPFZRHPBHB-KOHJWAIASA-N -1 1 387.448 0.124 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573537506 946749786 /nfs/dbraw/zinc/74/97/86/946749786.db2.gz FEPKCZVSUZPFCR-LBPRGKRZSA-N -1 1 387.448 0.268 20 0 GCADMM 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CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573537824 946758521 /nfs/dbraw/zinc/75/85/21/946758521.db2.gz KZYQYBNSLAPAMD-AAEUAGOBSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573537824 946758534 /nfs/dbraw/zinc/75/85/34/946758534.db2.gz KZYQYBNSLAPAMD-AAEUAGOBSA-N -1 1 389.464 0.148 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573540421 946776837 /nfs/dbraw/zinc/77/68/37/946776837.db2.gz DJOBUOGEFPNCOH-BXUZGUMPSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(C)C ZINC001573540421 946776843 /nfs/dbraw/zinc/77/68/43/946776843.db2.gz DJOBUOGEFPNCOH-BXUZGUMPSA-N -1 1 387.448 0.220 20 0 GCADMM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573540588 946777889 /nfs/dbraw/zinc/77/78/89/946777889.db2.gz GUPKSOOVMIUJHA-IINYFYTJSA-N -1 1 389.464 0.148 20 0 GCADMM 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GCADMM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573548530 946853755 /nfs/dbraw/zinc/85/37/55/946853755.db2.gz MXHUQYPRIQNNEO-VIFPVBQESA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573548971 946862164 /nfs/dbraw/zinc/86/21/64/946862164.db2.gz ZGDLTTQXYWGMKN-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573548971 946862177 /nfs/dbraw/zinc/86/21/77/946862177.db2.gz ZGDLTTQXYWGMKN-SECBINFHSA-N -1 1 382.388 0.241 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573548968 946863253 /nfs/dbraw/zinc/86/32/53/946863253.db2.gz YZKIVNKCJVLWKA-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573548968 946863265 /nfs/dbraw/zinc/86/32/65/946863265.db2.gz YZKIVNKCJVLWKA-UHFFFAOYSA-N -1 1 382.388 0.194 20 0 GCADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)nn1 ZINC001573558217 946936213 /nfs/dbraw/zinc/93/62/13/946936213.db2.gz GAGUWBRTHPYSLQ-UHFFFAOYSA-N -1 1 392.376 0.046 20 0 GCADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)nn1 ZINC001573558837 946942577 /nfs/dbraw/zinc/94/25/77/946942577.db2.gz QBLAEBUFZYZECX-UHFFFAOYSA-N -1 1 392.376 0.046 20 0 GCADMM CC(=O)c1cn(C2CN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)nn1 ZINC001573558837 946942586 /nfs/dbraw/zinc/94/25/86/946942586.db2.gz QBLAEBUFZYZECX-UHFFFAOYSA-N -1 1 392.376 0.046 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCCOCC1 ZINC000825000803 947035807 /nfs/dbraw/zinc/03/58/07/947035807.db2.gz VINZIYRHJBWTHU-STQMWFEESA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCCOCC1 ZINC000825000803 947035824 /nfs/dbraw/zinc/03/58/24/947035824.db2.gz VINZIYRHJBWTHU-STQMWFEESA-N -1 1 387.448 0.446 20 0 GCADMM C[C@H]1NC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])=NN(c2ccccc2)C1=O ZINC000825012646 947046919 /nfs/dbraw/zinc/04/69/19/947046919.db2.gz LBGGGAKSOGLYPH-SNVBAGLBSA-N -1 1 392.379 0.849 20 0 GCADMM CCC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCOCC1 ZINC000825158907 947104152 /nfs/dbraw/zinc/10/41/52/947104152.db2.gz DNJMJSRBHRRMIA-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CCC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCOCC1 ZINC000825158907 947104170 /nfs/dbraw/zinc/10/41/70/947104170.db2.gz DNJMJSRBHRRMIA-ZDUSSCGKSA-N -1 1 386.460 0.901 20 0 GCADMM CCC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCOCC1 ZINC000825158906 947105118 /nfs/dbraw/zinc/10/51/18/947105118.db2.gz DNJMJSRBHRRMIA-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CCC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCOCC1 ZINC000825158906 947105123 /nfs/dbraw/zinc/10/51/23/947105123.db2.gz DNJMJSRBHRRMIA-CYBMUJFWSA-N -1 1 386.460 0.901 20 0 GCADMM CCCN1C(=O)CCc2cc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc21 ZINC000825322916 947154864 /nfs/dbraw/zinc/15/48/64/947154864.db2.gz LOLJNHHNTCPJBE-UHFFFAOYSA-N -1 1 381.400 0.786 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1cccc(O)c1 ZINC000825493288 947203916 /nfs/dbraw/zinc/20/39/16/947203916.db2.gz JZEOQFFPHIUMCL-HNNXBMFYSA-N -1 1 386.368 0.832 20 0 GCADMM CCOC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000825493288 947203923 /nfs/dbraw/zinc/20/39/23/947203923.db2.gz JZEOQFFPHIUMCL-HNNXBMFYSA-N -1 1 386.368 0.832 20 0 GCADMM CCOC(=O)N[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)CC(C)C ZINC000825522998 947213932 /nfs/dbraw/zinc/21/39/32/947213932.db2.gz MFTNJLGUGKTCQG-LLVKDONJSA-N -1 1 379.421 0.983 20 0 GCADMM CCOC(=O)N[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)CC(C)C ZINC000825522998 947213945 /nfs/dbraw/zinc/21/39/45/947213945.db2.gz MFTNJLGUGKTCQG-LLVKDONJSA-N -1 1 379.421 0.983 20 0 GCADMM CCOC(=O)c1sc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)nc1C ZINC000825576489 947236240 /nfs/dbraw/zinc/23/62/40/947236240.db2.gz IKFJQXLXEFOEHD-UHFFFAOYSA-N -1 1 391.413 0.964 20 0 GCADMM CCOC(=O)c1sc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)nc1C ZINC000825576489 947236247 /nfs/dbraw/zinc/23/62/47/947236247.db2.gz IKFJQXLXEFOEHD-UHFFFAOYSA-N -1 1 391.413 0.964 20 0 GCADMM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573591500 947313764 /nfs/dbraw/zinc/31/37/64/947313764.db2.gz BXZINDIDAHLNFX-MFKMUULPSA-N -1 1 389.485 0.486 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573591708 947318250 /nfs/dbraw/zinc/31/82/50/947318250.db2.gz DMSUHLOKKGKZOH-DTWKUNHWSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573591708 947318262 /nfs/dbraw/zinc/31/82/62/947318262.db2.gz DMSUHLOKKGKZOH-DTWKUNHWSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001573592301 947332476 /nfs/dbraw/zinc/33/24/76/947332476.db2.gz IYPDRSYVIRLHBM-OLZOCXBDSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573592518 947339021 /nfs/dbraw/zinc/33/90/21/947339021.db2.gz DDSSEVLDDLYFTP-QFWMXSHPSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573592518 947339034 /nfs/dbraw/zinc/33/90/34/947339034.db2.gz DDSSEVLDDLYFTP-QFWMXSHPSA-N -1 1 382.432 0.595 20 0 GCADMM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573592709 947345864 /nfs/dbraw/zinc/34/58/64/947345864.db2.gz MAIUDZRPRBPQHE-VIFPVBQESA-N -1 1 384.487 0.004 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573593223 947365713 /nfs/dbraw/zinc/36/57/13/947365713.db2.gz RTIZKBZBQREFFT-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573593223 947365727 /nfs/dbraw/zinc/36/57/27/947365727.db2.gz RTIZKBZBQREFFT-LBPRGKRZSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001573593307 947369064 /nfs/dbraw/zinc/36/90/64/947369064.db2.gz JSMAYZKMWOSTJA-RISCZKNCSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001573593307 947369074 /nfs/dbraw/zinc/36/90/74/947369074.db2.gz JSMAYZKMWOSTJA-RISCZKNCSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573593518 947374635 /nfs/dbraw/zinc/37/46/35/947374635.db2.gz UINLEIPBASBGFN-VXGBXAGGSA-N -1 1 376.465 0.594 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccnc1-n1cccn1 ZINC000825933807 947374705 /nfs/dbraw/zinc/37/47/05/947374705.db2.gz GJXLVEQIKQYPSU-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccnc1-n1cccn1 ZINC000825933807 947374719 /nfs/dbraw/zinc/37/47/19/947374719.db2.gz GJXLVEQIKQYPSU-UHFFFAOYSA-N -1 1 393.415 0.458 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000825930697 947375909 /nfs/dbraw/zinc/37/59/09/947375909.db2.gz WPTLYMJYTYVDQC-UHFFFAOYSA-N -1 1 396.415 0.319 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000825930697 947375920 /nfs/dbraw/zinc/37/59/20/947375920.db2.gz WPTLYMJYTYVDQC-UHFFFAOYSA-N -1 1 396.415 0.319 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573593698 947376620 /nfs/dbraw/zinc/37/66/20/947376620.db2.gz UXIGYHBSROLJNB-UWVGGRQHSA-N -1 1 384.391 0.204 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573593965 947382148 /nfs/dbraw/zinc/38/21/48/947382148.db2.gz WFNHUIMSZQWBFY-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573593965 947382161 /nfs/dbraw/zinc/38/21/61/947382161.db2.gz WFNHUIMSZQWBFY-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573593985 947384030 /nfs/dbraw/zinc/38/40/30/947384030.db2.gz WMDLMIOKBTXYSC-NEPJUHHUSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573593985 947384040 /nfs/dbraw/zinc/38/40/40/947384040.db2.gz WMDLMIOKBTXYSC-NEPJUHHUSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573593989 947384181 /nfs/dbraw/zinc/38/41/81/947384181.db2.gz WMDLMIOKBTXYSC-RYUDHWBXSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573593989 947384189 /nfs/dbraw/zinc/38/41/89/947384189.db2.gz WMDLMIOKBTXYSC-RYUDHWBXSA-N -1 1 376.465 0.594 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573594383 947392581 /nfs/dbraw/zinc/39/25/81/947392581.db2.gz YMIJITJYIKALFF-SWLSCSKDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573594383 947392590 /nfs/dbraw/zinc/39/25/90/947392590.db2.gz YMIJITJYIKALFF-SWLSCSKDSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573594446 947393956 /nfs/dbraw/zinc/39/39/56/947393956.db2.gz AZWAVGHVIQYIEW-MNOVXSKESA-N -1 1 388.457 0.175 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573594657 947402473 /nfs/dbraw/zinc/40/24/73/947402473.db2.gz BWPKBPUKRUGUHH-WCQYABFASA-N -1 1 383.416 0.087 20 0 GCADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573594657 947402480 /nfs/dbraw/zinc/40/24/80/947402480.db2.gz BWPKBPUKRUGUHH-WCQYABFASA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001573594759 947405620 /nfs/dbraw/zinc/40/56/20/947405620.db2.gz RVNJZSXKQWTPMZ-SMDDNHRTSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573594759 947405625 /nfs/dbraw/zinc/40/56/25/947405625.db2.gz RVNJZSXKQWTPMZ-SMDDNHRTSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573596521 947429062 /nfs/dbraw/zinc/42/90/62/947429062.db2.gz KVSFGAWIZLALSA-MNOVXSKESA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573596521 947429069 /nfs/dbraw/zinc/42/90/69/947429069.db2.gz KVSFGAWIZLALSA-MNOVXSKESA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573597433 947436347 /nfs/dbraw/zinc/43/63/47/947436347.db2.gz OHDJPIUSOLPCNF-ZYHUDNBSSA-N -1 1 388.457 0.175 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573598314 947441641 /nfs/dbraw/zinc/44/16/41/947441641.db2.gz QAKZFZCNSVUFCV-QWRGUYRKSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573598314 947441648 /nfs/dbraw/zinc/44/16/48/947441648.db2.gz QAKZFZCNSVUFCV-QWRGUYRKSA-N -1 1 388.457 0.753 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573599416 947455401 /nfs/dbraw/zinc/45/54/01/947455401.db2.gz XUXLOPJZLQAVER-YPMHNXCESA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573599416 947455407 /nfs/dbraw/zinc/45/54/07/947455407.db2.gz XUXLOPJZLQAVER-YPMHNXCESA-N -1 1 383.416 0.087 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573599615 947458047 /nfs/dbraw/zinc/45/80/47/947458047.db2.gz YSZWPCGNOBJYPJ-IUCAKERBSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573599615 947458057 /nfs/dbraw/zinc/45/80/57/947458057.db2.gz YSZWPCGNOBJYPJ-IUCAKERBSA-N -1 1 388.354 0.111 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1)n1cncn1 ZINC001573603392 947484000 /nfs/dbraw/zinc/48/40/00/947484000.db2.gz GAHCDSQWWCNKGZ-ZETCQYMHSA-N -1 1 382.841 0.700 20 0 GCADMM C[C@@H](C(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1)n1cncn1 ZINC001573603392 947484003 /nfs/dbraw/zinc/48/40/03/947484003.db2.gz GAHCDSQWWCNKGZ-ZETCQYMHSA-N -1 1 382.841 0.700 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573603449 947486898 /nfs/dbraw/zinc/48/68/98/947486898.db2.gz HBXLUZJHLNTFRW-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573603449 947486901 /nfs/dbraw/zinc/48/69/01/947486901.db2.gz HBXLUZJHLNTFRW-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(C)CCOCCNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573604264 947507585 /nfs/dbraw/zinc/50/75/85/947507585.db2.gz NDFUNDLUCBZLMC-GFCCVEGCSA-N -1 1 386.416 0.940 20 0 GCADMM C[C@@H](C(=O)N(C)CCOCCNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573604264 947507589 /nfs/dbraw/zinc/50/75/89/947507589.db2.gz NDFUNDLUCBZLMC-GFCCVEGCSA-N -1 1 386.416 0.940 20 0 GCADMM C[C@H](C(=O)N(C)CCN1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573605109 947523044 /nfs/dbraw/zinc/52/30/44/947523044.db2.gz YLRMQTBERRTSHU-ZDUSSCGKSA-N -1 1 385.476 0.283 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573607658 947551309 /nfs/dbraw/zinc/55/13/09/947551309.db2.gz QPKYSHZGXMAQOZ-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573607658 947551317 /nfs/dbraw/zinc/55/13/17/947551317.db2.gz QPKYSHZGXMAQOZ-LLVKDONJSA-N -1 1 388.457 0.755 20 0 GCADMM C[C@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573607988 947554599 /nfs/dbraw/zinc/55/45/99/947554599.db2.gz TYOYMMVGDLKOIK-NSHDSACASA-N -1 1 388.457 0.177 20 0 GCADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001573613547 947564629 /nfs/dbraw/zinc/56/46/29/947564629.db2.gz CFIHEPCNJNYDJU-IGQOVBAYSA-N -1 1 384.444 0.651 20 0 GCADMM C[C@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573614321 947583985 /nfs/dbraw/zinc/58/39/85/947583985.db2.gz LWYZLHQTZSUROS-BDAKNGLRSA-N -1 1 384.366 0.926 20 0 GCADMM C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573614442 947584997 /nfs/dbraw/zinc/58/49/97/947584997.db2.gz FFTHSMUKVBDQDD-OCCSQVGLSA-N -1 1 386.460 0.544 20 0 GCADMM C=CS(=O)(=O)CCC(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001573350585 947599714 /nfs/dbraw/zinc/59/97/14/947599714.db2.gz GROJZSXQVCHSMT-UHFFFAOYSA-N -1 1 388.413 0.393 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001573351091 947608883 /nfs/dbraw/zinc/60/88/83/947608883.db2.gz KBJVPJDJPJUJFB-CQSZACIVSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001573351091 947608895 /nfs/dbraw/zinc/60/88/95/947608895.db2.gz KBJVPJDJPJUJFB-CQSZACIVSA-N -1 1 380.412 0.845 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573615945 947615688 /nfs/dbraw/zinc/61/56/88/947615688.db2.gz LEYAVFKNVMEGRM-STQMWFEESA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573615945 947615698 /nfs/dbraw/zinc/61/56/98/947615698.db2.gz LEYAVFKNVMEGRM-STQMWFEESA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cccn1 ZINC001573616427 947621064 /nfs/dbraw/zinc/62/10/64/947621064.db2.gz WGBLMNUKSISEDP-DGCLKSJQSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cccn1 ZINC001573616427 947621071 /nfs/dbraw/zinc/62/10/71/947621071.db2.gz WGBLMNUKSISEDP-DGCLKSJQSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)n1cccn1 ZINC001573616451 947622522 /nfs/dbraw/zinc/62/25/22/947622522.db2.gz WKNXFTZJVDCASR-AAEUAGOBSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)n1cccn1 ZINC001573616451 947622528 /nfs/dbraw/zinc/62/25/28/947622528.db2.gz WKNXFTZJVDCASR-AAEUAGOBSA-N -1 1 382.432 0.763 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573352167 947628462 /nfs/dbraw/zinc/62/84/62/947628462.db2.gz XALVPPFCSKNOMZ-CQSZACIVSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573352167 947628466 /nfs/dbraw/zinc/62/84/66/947628466.db2.gz XALVPPFCSKNOMZ-CQSZACIVSA-N -1 1 380.412 0.845 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001573354633 947635121 /nfs/dbraw/zinc/63/51/21/947635121.db2.gz GIBVZYPSUCFXDO-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001573354633 947635127 /nfs/dbraw/zinc/63/51/27/947635127.db2.gz GIBVZYPSUCFXDO-OAHLLOKOSA-N -1 1 392.423 0.935 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573617339 947635165 /nfs/dbraw/zinc/63/51/65/947635165.db2.gz LFHYQCZUHMWNNC-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573617339 947635173 /nfs/dbraw/zinc/63/51/73/947635173.db2.gz LFHYQCZUHMWNNC-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573617480 947636679 /nfs/dbraw/zinc/63/66/79/947636679.db2.gz LTQSYKKGIIYXAW-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573617480 947636687 /nfs/dbraw/zinc/63/66/87/947636687.db2.gz LTQSYKKGIIYXAW-GFCCVEGCSA-N -1 1 382.432 0.542 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573355462 947642474 /nfs/dbraw/zinc/64/24/74/947642474.db2.gz PLTFVHZBGPTGTR-LJQANCHMSA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355462 947642485 /nfs/dbraw/zinc/64/24/85/947642485.db2.gz PLTFVHZBGPTGTR-LJQANCHMSA-N -1 1 392.423 0.671 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1 ZINC001573355825 947643290 /nfs/dbraw/zinc/64/32/90/947643290.db2.gz QIMMYTRXGDRHSI-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1 ZINC001573355825 947643297 /nfs/dbraw/zinc/64/32/97/947643297.db2.gz QIMMYTRXGDRHSI-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573617981 947646548 /nfs/dbraw/zinc/64/65/48/947646548.db2.gz OBNZIYNNMNIWMO-WCQYABFASA-N -1 1 382.432 0.231 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)cc1 ZINC001573356281 947648074 /nfs/dbraw/zinc/64/80/74/947648074.db2.gz WEYCUXRTKVQRHY-GOEBONIOSA-N -1 1 392.423 0.669 20 0 GCADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)cc1 ZINC001573356281 947648078 /nfs/dbraw/zinc/64/80/78/947648078.db2.gz WEYCUXRTKVQRHY-GOEBONIOSA-N -1 1 392.423 0.669 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573618837 947655980 /nfs/dbraw/zinc/65/59/80/947655980.db2.gz SROOYTUMOYSQLL-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573618837 947655986 /nfs/dbraw/zinc/65/59/86/947655986.db2.gz SROOYTUMOYSQLL-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573618906 947656815 /nfs/dbraw/zinc/65/68/15/947656815.db2.gz SVRSVNHNUUINAM-STQMWFEESA-N -1 1 382.432 0.399 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573618906 947656830 /nfs/dbraw/zinc/65/68/30/947656830.db2.gz SVRSVNHNUUINAM-STQMWFEESA-N -1 1 382.432 0.399 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573619436 947665053 /nfs/dbraw/zinc/66/50/53/947665053.db2.gz WFZRQVYHGNOODV-OLZOCXBDSA-N -1 1 382.432 0.187 20 0 GCADMM C[C@@H](C(=O)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573619626 947667929 /nfs/dbraw/zinc/66/79/29/947667929.db2.gz WKVVTQYKAFXCNZ-GFCCVEGCSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573619877 947671696 /nfs/dbraw/zinc/67/16/96/947671696.db2.gz XEOWPUDCDWLHPN-SJCJKPOMSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573619877 947671702 /nfs/dbraw/zinc/67/17/02/947671702.db2.gz XEOWPUDCDWLHPN-SJCJKPOMSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2)C1CC1 ZINC001573623433 947687691 /nfs/dbraw/zinc/68/76/91/947687691.db2.gz FSPFCIZZKFTWEO-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)cc1 ZINC001573359704 947689027 /nfs/dbraw/zinc/68/90/27/947689027.db2.gz YWMUYMRFVGCCNR-HUUCEWRRSA-N -1 1 378.396 0.279 20 0 GCADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)cc1 ZINC001573359704 947689028 /nfs/dbraw/zinc/68/90/28/947689028.db2.gz YWMUYMRFVGCCNR-HUUCEWRRSA-N -1 1 378.396 0.279 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573359690 947689775 /nfs/dbraw/zinc/68/97/75/947689775.db2.gz YFASRWBQIUBMRW-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C=Cc1ccc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573359690 947689782 /nfs/dbraw/zinc/68/97/82/947689782.db2.gz YFASRWBQIUBMRW-HNNXBMFYSA-N -1 1 392.423 0.935 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2)C1CC1 ZINC001573626612 947713137 /nfs/dbraw/zinc/71/31/37/947713137.db2.gz WJSMWKQNFBQSFE-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2)C1CC1 ZINC001573626612 947713148 /nfs/dbraw/zinc/71/31/48/947713148.db2.gz WJSMWKQNFBQSFE-XIKOKIGWSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573627908 947736216 /nfs/dbraw/zinc/73/62/16/947736216.db2.gz HEKWXQGGEBIFFS-YPMHNXCESA-N -1 1 382.432 0.019 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573628111 947745397 /nfs/dbraw/zinc/74/53/97/947745397.db2.gz ISPARCWXWYVXIB-JSGCOSHPSA-N -1 1 379.428 0.680 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573628623 947759708 /nfs/dbraw/zinc/75/97/08/947759708.db2.gz JBCXSZUHISGZJQ-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573628623 947759719 /nfs/dbraw/zinc/75/97/19/947759719.db2.gz JBCXSZUHISGZJQ-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573368767 947769492 /nfs/dbraw/zinc/76/94/92/947769492.db2.gz OXLOUDUKQGSPFB-GXTWGEPZSA-N -1 1 386.460 0.734 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573629097 947771916 /nfs/dbraw/zinc/77/19/16/947771916.db2.gz MDIIWSLFAPGPGP-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573629097 947771920 /nfs/dbraw/zinc/77/19/20/947771920.db2.gz MDIIWSLFAPGPGP-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573629662 947781833 /nfs/dbraw/zinc/78/18/33/947781833.db2.gz OWNNCOQGJGUOOQ-OCCSQVGLSA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573629662 947781842 /nfs/dbraw/zinc/78/18/42/947781842.db2.gz OWNNCOQGJGUOOQ-OCCSQVGLSA-N -1 1 386.460 0.493 20 0 GCADMM CC(=O)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573373320 947790569 /nfs/dbraw/zinc/79/05/69/947790569.db2.gz HWFWYXNMHAUNNG-KGLIPLIRSA-N -1 1 384.444 0.986 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573630614 947794105 /nfs/dbraw/zinc/79/41/05/947794105.db2.gz ZUOFRCZFKVWDOA-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573630614 947794113 /nfs/dbraw/zinc/79/41/13/947794113.db2.gz ZUOFRCZFKVWDOA-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnn(C)c1 ZINC001573631101 947796999 /nfs/dbraw/zinc/79/69/99/947796999.db2.gz SWDWRMWKEOKACI-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnn(C)c1 ZINC001573631101 947797008 /nfs/dbraw/zinc/79/70/08/947797008.db2.gz SWDWRMWKEOKACI-AAEUAGOBSA-N -1 1 382.432 0.597 20 0 GCADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573631210 947800037 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/nfs/dbraw/zinc/92/55/29/947925529.db2.gz UXJYGTJXPPAANK-GFCCVEGCSA-N -1 1 377.474 0.439 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573389524 947926284 /nfs/dbraw/zinc/92/62/84/947926284.db2.gz RZXZJVKDIFVLKW-UHFFFAOYSA-N -1 1 375.437 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573389524 947926286 /nfs/dbraw/zinc/92/62/86/947926286.db2.gz RZXZJVKDIFVLKW-UHFFFAOYSA-N -1 1 375.437 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573389576 947926462 /nfs/dbraw/zinc/92/64/62/947926462.db2.gz TWYHHRSRSZTOFG-SSDOTTSWSA-N -1 1 386.869 0.714 20 0 GCADMM CC(=O)N(C)CC(=O)N(C)[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573389576 947926467 /nfs/dbraw/zinc/92/64/67/947926467.db2.gz TWYHHRSRSZTOFG-SSDOTTSWSA-N -1 1 386.869 0.714 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccn1 ZINC001573652130 947930358 /nfs/dbraw/zinc/93/03/58/947930358.db2.gz BFFALVLIGZTEPV-GTNSWQLSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccn1 ZINC001573652130 947930364 /nfs/dbraw/zinc/93/03/64/947930364.db2.gz BFFALVLIGZTEPV-GTNSWQLSSA-N -1 1 382.432 0.811 20 0 GCADMM Cc1cnc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000826318127 947931675 /nfs/dbraw/zinc/93/16/75/947931675.db2.gz WRTLCNQPRSRRKE-CMPLNLGQSA-N -1 1 398.431 0.934 20 0 GCADMM Cc1cnc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000826318127 947931683 /nfs/dbraw/zinc/93/16/83/947931683.db2.gz WRTLCNQPRSRRKE-CMPLNLGQSA-N -1 1 398.431 0.934 20 0 GCADMM Cc1cnc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000826318130 947932405 /nfs/dbraw/zinc/93/24/05/947932405.db2.gz WRTLCNQPRSRRKE-ZYHUDNBSSA-N -1 1 398.431 0.934 20 0 GCADMM Cc1cnc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000826318130 947932412 /nfs/dbraw/zinc/93/24/12/947932412.db2.gz WRTLCNQPRSRRKE-ZYHUDNBSSA-N -1 1 398.431 0.934 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573391948 947937524 /nfs/dbraw/zinc/93/75/24/947937524.db2.gz MNHXTDHFBMITKL-MRVPVSSYSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573391948 947937531 /nfs/dbraw/zinc/93/75/31/947937531.db2.gz MNHXTDHFBMITKL-MRVPVSSYSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573392058 947939706 /nfs/dbraw/zinc/93/97/06/947939706.db2.gz QHUHEFRPFKCAAQ-MRVPVSSYSA-N -1 1 384.853 0.468 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573391978 947940095 /nfs/dbraw/zinc/94/00/95/947940095.db2.gz NNUJJFHNKPVKBU-WCQYABFASA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573391978 947940097 /nfs/dbraw/zinc/94/00/97/947940097.db2.gz NNUJJFHNKPVKBU-WCQYABFASA-N -1 1 387.448 0.317 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573392851 947952529 /nfs/dbraw/zinc/95/25/29/947952529.db2.gz GQOAUNHFPDOWSD-UHFFFAOYSA-N -1 1 392.489 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573393371 947956286 /nfs/dbraw/zinc/95/62/86/947956286.db2.gz KSHGDZBPYSFEFA-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573393371 947956293 /nfs/dbraw/zinc/95/62/93/947956293.db2.gz KSHGDZBPYSFEFA-YPMHNXCESA-N -1 1 387.448 0.032 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC1CCN(C=O)CC1 ZINC000826328242 947957062 /nfs/dbraw/zinc/95/70/62/947957062.db2.gz KILBMCAWPRKMFJ-UHFFFAOYSA-N -1 1 398.427 0.623 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC1CCN(C=O)CC1 ZINC000826328242 947957072 /nfs/dbraw/zinc/95/70/72/947957072.db2.gz KILBMCAWPRKMFJ-UHFFFAOYSA-N -1 1 398.427 0.623 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001573393406 947957241 /nfs/dbraw/zinc/95/72/41/947957241.db2.gz LQRSLUNSSBEGMU-WCQYABFASA-N -1 1 387.448 0.235 20 0 GCADMM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001573393406 947957249 /nfs/dbraw/zinc/95/72/49/947957249.db2.gz LQRSLUNSSBEGMU-WCQYABFASA-N -1 1 387.448 0.235 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573393724 947960836 /nfs/dbraw/zinc/96/08/36/947960836.db2.gz PJCLCHRPPCURTF-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573393724 947960844 /nfs/dbraw/zinc/96/08/44/947960844.db2.gz PJCLCHRPPCURTF-WCQYABFASA-N -1 1 387.448 0.174 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573653920 947961503 /nfs/dbraw/zinc/96/15/03/947961503.db2.gz OAHPPBWMYWPQOI-HWPZZCPQSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573653920 947961512 /nfs/dbraw/zinc/96/15/12/947961512.db2.gz OAHPPBWMYWPQOI-HWPZZCPQSA-N -1 1 383.420 0.206 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573395274 947968253 /nfs/dbraw/zinc/96/82/53/947968253.db2.gz YIXGKDXNGGESTL-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573395274 947968260 /nfs/dbraw/zinc/96/82/60/947968260.db2.gz YIXGKDXNGGESTL-LLVKDONJSA-N -1 1 387.448 0.174 20 0 GCADMM C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573654654 947968322 /nfs/dbraw/zinc/96/83/22/947968322.db2.gz SESGCTKQBQYEIO-RMLUDKJBSA-N -1 1 384.366 0.974 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001573654700 947970412 /nfs/dbraw/zinc/97/04/12/947970412.db2.gz SWDCLCIBXDRFEF-DIFFPNOSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573654700 947970417 /nfs/dbraw/zinc/97/04/17/947970417.db2.gz SWDCLCIBXDRFEF-DIFFPNOSSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccn1 ZINC001573654702 947970916 /nfs/dbraw/zinc/97/09/16/947970916.db2.gz SWDCLCIBXDRFEF-PIGZYNQJSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573654702 947970923 /nfs/dbraw/zinc/97/09/23/947970923.db2.gz SWDCLCIBXDRFEF-PIGZYNQJSA-N -1 1 382.432 0.811 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(C)C ZINC001573397554 947973123 /nfs/dbraw/zinc/97/31/23/947973123.db2.gz BWYBKTBEEDBLMD-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(C)C ZINC001573397554 947973126 /nfs/dbraw/zinc/97/31/26/947973126.db2.gz BWYBKTBEEDBLMD-LBPRGKRZSA-N -1 1 375.437 0.078 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573397795 947973611 /nfs/dbraw/zinc/97/36/11/947973611.db2.gz DGPDCMMENGTWQU-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573397795 947973616 /nfs/dbraw/zinc/97/36/16/947973616.db2.gz DGPDCMMENGTWQU-RQJHMYQMSA-N -1 1 386.869 0.760 20 0 GCADMM CC(=O)N(C)CC(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573397784 947973632 /nfs/dbraw/zinc/97/36/32/947973632.db2.gz DEGMVQISEWWURR-TXEJJXNPSA-N -1 1 390.473 0.005 20 0 GCADMM Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000826339709 947977528 /nfs/dbraw/zinc/97/75/28/947977528.db2.gz PQLHYNXSSSGFNP-GFCCVEGCSA-N -1 1 395.376 0.459 20 0 GCADMM C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001573655402 947977620 /nfs/dbraw/zinc/97/76/20/947977620.db2.gz XEPLMPMFCOTYCW-DIFFPNOSSA-N -1 1 382.432 0.233 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573398380 947979640 /nfs/dbraw/zinc/97/96/40/947979640.db2.gz KMLZVVVVUOTBGG-ZDUSSCGKSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573398380 947979645 /nfs/dbraw/zinc/97/96/45/947979645.db2.gz KMLZVVVVUOTBGG-ZDUSSCGKSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573656346 947987577 /nfs/dbraw/zinc/98/75/77/947987577.db2.gz DWAOBJJWGAEIDH-PIGZYNQJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573656346 947987582 /nfs/dbraw/zinc/98/75/82/947987582.db2.gz DWAOBJJWGAEIDH-PIGZYNQJSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573656345 947987612 /nfs/dbraw/zinc/98/76/12/947987612.db2.gz DWAOBJJWGAEIDH-GTNSWQLSSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573656345 947987618 /nfs/dbraw/zinc/98/76/18/947987618.db2.gz DWAOBJJWGAEIDH-GTNSWQLSSA-N -1 1 382.432 0.279 20 0 GCADMM Cc1onc(CC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826343602 947993385 /nfs/dbraw/zinc/99/33/85/947993385.db2.gz HNUAFAVBZQPFFR-SNVBAGLBSA-N -1 1 377.405 0.831 20 0 GCADMM Cc1onc(CC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826343602 947993388 /nfs/dbraw/zinc/99/33/88/947993388.db2.gz HNUAFAVBZQPFFR-SNVBAGLBSA-N -1 1 377.405 0.831 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573656826 947994745 /nfs/dbraw/zinc/99/47/45/947994745.db2.gz IKVALIRKIPNLGV-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573656826 947994750 /nfs/dbraw/zinc/99/47/50/947994750.db2.gz IKVALIRKIPNLGV-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573401457 947998027 /nfs/dbraw/zinc/99/80/27/947998027.db2.gz CIECROAFQSXUSW-STQMWFEESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573401457 947998034 /nfs/dbraw/zinc/99/80/34/947998034.db2.gz CIECROAFQSXUSW-STQMWFEESA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573401905 948000303 /nfs/dbraw/zinc/00/03/03/948000303.db2.gz FIGHFGIKXXKQPE-OLZOCXBDSA-N -1 1 387.448 0.222 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573401905 948000314 /nfs/dbraw/zinc/00/03/14/948000314.db2.gz FIGHFGIKXXKQPE-OLZOCXBDSA-N -1 1 387.448 0.222 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573657685 948003659 /nfs/dbraw/zinc/00/36/59/948003659.db2.gz ONQBLKQCOHQXDZ-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573657685 948003666 /nfs/dbraw/zinc/00/36/66/948003666.db2.gz ONQBLKQCOHQXDZ-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1-c1nnn[n-]1 ZINC000826344463 948007186 /nfs/dbraw/zinc/00/71/86/948007186.db2.gz ITVIGOITLZCNJW-LBPRGKRZSA-N -1 1 375.433 0.716 20 0 GCADMM Cc1onc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1-c1nn[n-]n1 ZINC000826344463 948007193 /nfs/dbraw/zinc/00/71/93/948007193.db2.gz ITVIGOITLZCNJW-LBPRGKRZSA-N -1 1 375.433 0.716 20 0 GCADMM Cc1onc(CC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826344434 948007766 /nfs/dbraw/zinc/00/77/66/948007766.db2.gz HSFLLFPPPSYFCK-AWEZNQCLSA-N -1 1 381.396 0.795 20 0 GCADMM Cc1onc(CC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826344434 948007777 /nfs/dbraw/zinc/00/77/77/948007777.db2.gz HSFLLFPPPSYFCK-AWEZNQCLSA-N -1 1 381.396 0.795 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)N(C)C)CC2(C)C)c1-c1nnn[n-]1 ZINC000826344596 948009773 /nfs/dbraw/zinc/00/97/73/948009773.db2.gz MDLKGSNVYAGPRM-UHFFFAOYSA-N -1 1 376.421 0.310 20 0 GCADMM Cc1onc(CC(=O)N2CCN(C(=O)N(C)C)CC2(C)C)c1-c1nn[n-]n1 ZINC000826344596 948009781 /nfs/dbraw/zinc/00/97/81/948009781.db2.gz MDLKGSNVYAGPRM-UHFFFAOYSA-N -1 1 376.421 0.310 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573658683 948011643 /nfs/dbraw/zinc/01/16/43/948011643.db2.gz SXDRDJCERHWUSZ-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573658683 948011651 /nfs/dbraw/zinc/01/16/51/948011651.db2.gz SXDRDJCERHWUSZ-LBPRGKRZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573660036 948017448 /nfs/dbraw/zinc/01/74/48/948017448.db2.gz XAWLWPGNPDWWHT-VIFPVBQESA-N -1 1 377.409 0.145 20 0 GCADMM C[C@H](C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573660035 948018169 /nfs/dbraw/zinc/01/81/69/948018169.db2.gz XAWLWPGNPDWWHT-SECBINFHSA-N -1 1 377.409 0.145 20 0 GCADMM Cc1onc(CC(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826345304 948020273 /nfs/dbraw/zinc/02/02/73/948020273.db2.gz ILQAGJIHMPKUNQ-INIZCTEOSA-N -1 1 389.803 0.876 20 0 GCADMM Cc1onc(CC(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826345304 948020281 /nfs/dbraw/zinc/02/02/81/948020281.db2.gz ILQAGJIHMPKUNQ-INIZCTEOSA-N -1 1 389.803 0.876 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573404321 948021315 /nfs/dbraw/zinc/02/13/15/948021315.db2.gz RXBLXJZHCKMBTM-LLVKDONJSA-N -1 1 378.462 0.417 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N2CCCC2)c1-c1nnn[n-]1 ZINC000826345489 948025847 /nfs/dbraw/zinc/02/58/47/948025847.db2.gz LZWZJBNVQJBOLH-NSHDSACASA-N -1 1 377.430 0.230 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)N2CCCC2)c1-c1nn[n-]n1 ZINC000826345489 948025859 /nfs/dbraw/zinc/02/58/59/948025859.db2.gz LZWZJBNVQJBOLH-NSHDSACASA-N -1 1 377.430 0.230 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)NCC(C)C)c1-c1nnn[n-]1 ZINC000826345743 948029484 /nfs/dbraw/zinc/02/94/84/948029484.db2.gz SOKPDDZNKUITPU-LLVKDONJSA-N -1 1 379.446 0.379 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)NCC(C)C)c1-c1nn[n-]n1 ZINC000826345743 948029493 /nfs/dbraw/zinc/02/94/93/948029493.db2.gz SOKPDDZNKUITPU-LLVKDONJSA-N -1 1 379.446 0.379 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cncn1 ZINC001573662986 948030390 /nfs/dbraw/zinc/03/03/90/948030390.db2.gz HWMHOPFDXNBJOA-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cncn1 ZINC001573662986 948030396 /nfs/dbraw/zinc/03/03/96/948030396.db2.gz HWMHOPFDXNBJOA-NSHDSACASA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cncn1 ZINC001573663161 948031945 /nfs/dbraw/zinc/03/19/45/948031945.db2.gz JXLQNSUSVVAOSG-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cncn1 ZINC001573663161 948031951 /nfs/dbraw/zinc/03/19/51/948031951.db2.gz JXLQNSUSVVAOSG-LLVKDONJSA-N -1 1 383.420 0.350 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N[C@H](C)C(C)C)c1-c1nnn[n-]1 ZINC000826345986 948032489 /nfs/dbraw/zinc/03/24/89/948032489.db2.gz ZPJNJGWKQOEAEN-BXKDBHETSA-N -1 1 393.473 0.768 20 0 GCADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)N[C@H](C)C(C)C)c1-c1nn[n-]n1 ZINC000826345986 948032496 /nfs/dbraw/zinc/03/24/96/948032496.db2.gz ZPJNJGWKQOEAEN-BXKDBHETSA-N -1 1 393.473 0.768 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573405506 948045128 /nfs/dbraw/zinc/04/51/28/948045128.db2.gz SFKTZHFFPKMORP-CYBMUJFWSA-N -1 1 387.448 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573405506 948045139 /nfs/dbraw/zinc/04/51/39/948045139.db2.gz SFKTZHFFPKMORP-CYBMUJFWSA-N -1 1 387.448 0.000 20 0 GCADMM Cc1onc(CC(=O)NC2CCN(C(=O)CC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826346761 948046058 /nfs/dbraw/zinc/04/60/58/948046058.db2.gz VERNCCLAYJOHOL-UHFFFAOYSA-N -1 1 375.433 0.859 20 0 GCADMM Cc1onc(CC(=O)NC2CCN(C(=O)CC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826346761 948046069 /nfs/dbraw/zinc/04/60/69/948046069.db2.gz VERNCCLAYJOHOL-UHFFFAOYSA-N -1 1 375.433 0.859 20 0 GCADMM C[C@H](C(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573664081 948046627 /nfs/dbraw/zinc/04/66/27/948046627.db2.gz RVKVKAYVKDJBBO-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H](C(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573664081 948046634 /nfs/dbraw/zinc/04/66/34/948046634.db2.gz RVKVKAYVKDJBBO-LBPRGKRZSA-N -1 1 386.460 0.540 20 0 GCADMM Cc1onc(CC(=O)NCC2(NS(C)(=O)=O)CCCCC2)c1-c1nnn[n-]1 ZINC000826347218 948050065 /nfs/dbraw/zinc/05/00/65/948050065.db2.gz IZUTWLHDTDNIFP-UHFFFAOYSA-N -1 1 397.461 0.074 20 0 GCADMM Cc1onc(CC(=O)NCC2(NS(C)(=O)=O)CCCCC2)c1-c1nn[n-]n1 ZINC000826347218 948050069 /nfs/dbraw/zinc/05/00/69/948050069.db2.gz IZUTWLHDTDNIFP-UHFFFAOYSA-N -1 1 397.461 0.074 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826347193 948051826 /nfs/dbraw/zinc/05/18/26/948051826.db2.gz IAXDFSZXVIHLPO-INIZCTEOSA-N -1 1 397.439 0.895 20 0 GCADMM Cc1onc(CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826347193 948051837 /nfs/dbraw/zinc/05/18/37/948051837.db2.gz IAXDFSZXVIHLPO-INIZCTEOSA-N -1 1 397.439 0.895 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573406734 948055860 /nfs/dbraw/zinc/05/58/60/948055860.db2.gz PHHLAJIZUWHBBT-JOCQHMNTSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573406734 948055871 /nfs/dbraw/zinc/05/58/71/948055871.db2.gz PHHLAJIZUWHBBT-JOCQHMNTSA-N -1 1 387.448 0.283 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573406598 948056617 /nfs/dbraw/zinc/05/66/17/948056617.db2.gz NGERYRDUZDDCTB-RDTXWAMCSA-N -1 1 399.459 0.000 20 0 GCADMM CC(=O)N(C)CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573406598 948056622 /nfs/dbraw/zinc/05/66/22/948056622.db2.gz NGERYRDUZDDCTB-RDTXWAMCSA-N -1 1 399.459 0.000 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccn1 ZINC001573664690 948060307 /nfs/dbraw/zinc/06/03/07/948060307.db2.gz GEHXXKZTOGDKGZ-HIFPTAJRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccn1 ZINC001573664690 948060315 /nfs/dbraw/zinc/06/03/15/948060315.db2.gz GEHXXKZTOGDKGZ-HIFPTAJRSA-N -1 1 382.432 0.954 20 0 GCADMM Cc1onc(CC(=O)NCc2ccccc2N2CCOCC2)c1-c1nnn[n-]1 ZINC000826348002 948062143 /nfs/dbraw/zinc/06/21/43/948062143.db2.gz PHPYLEKZQYQTNN-UHFFFAOYSA-N -1 1 383.412 0.859 20 0 GCADMM Cc1onc(CC(=O)NCc2ccccc2N2CCOCC2)c1-c1nn[n-]n1 ZINC000826348002 948062152 /nfs/dbraw/zinc/06/21/52/948062152.db2.gz PHPYLEKZQYQTNN-UHFFFAOYSA-N -1 1 383.412 0.859 20 0 GCADMM Cc1onc(CC(=O)NCc2nc(Cc3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826348015 948065097 /nfs/dbraw/zinc/06/50/97/948065097.db2.gz PWZXSOPDDJANKU-UHFFFAOYSA-N -1 1 380.368 0.996 20 0 GCADMM Cc1onc(CC(=O)NCc2nc(Cc3ccccc3)no2)c1-c1nn[n-]n1 ZINC000826348015 948065110 /nfs/dbraw/zinc/06/51/10/948065110.db2.gz PWZXSOPDDJANKU-UHFFFAOYSA-N -1 1 380.368 0.996 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826348462 948075292 /nfs/dbraw/zinc/07/52/92/948075292.db2.gz NHYDLNBEENKTKX-UHFFFAOYSA-N -1 1 395.376 0.855 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826348462 948075300 /nfs/dbraw/zinc/07/53/00/948075300.db2.gz NHYDLNBEENKTKX-UHFFFAOYSA-N -1 1 395.376 0.855 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826348581 948078795 /nfs/dbraw/zinc/07/87/95/948078795.db2.gz UGTRQFMSEFEKCO-UHFFFAOYSA-N -1 1 377.386 0.716 20 0 GCADMM Cc1onc(CC(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826348581 948078802 /nfs/dbraw/zinc/07/88/02/948078802.db2.gz UGTRQFMSEFEKCO-UHFFFAOYSA-N -1 1 377.386 0.716 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cncn1 ZINC001573665862 948078936 /nfs/dbraw/zinc/07/89/36/948078936.db2.gz NRMMQYDLVRIIMA-UNXYVOJBSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cncn1 ZINC001573665862 948078942 /nfs/dbraw/zinc/07/89/42/948078942.db2.gz NRMMQYDLVRIIMA-UNXYVOJBSA-N -1 1 383.420 0.349 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573665998 948079916 /nfs/dbraw/zinc/07/99/16/948079916.db2.gz OLVYLUZQKZKYRN-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573665998 948079926 /nfs/dbraw/zinc/07/99/26/948079926.db2.gz OLVYLUZQKZKYRN-AAEUAGOBSA-N -1 1 382.432 0.279 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573666041 948079999 /nfs/dbraw/zinc/07/99/99/948079999.db2.gz PDUDLVUFVLBUJD-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573666041 948080013 /nfs/dbraw/zinc/08/00/13/948080013.db2.gz PDUDLVUFVLBUJD-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM CC(=O)N(Cc1ccccc1)[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001573413548 948082538 /nfs/dbraw/zinc/08/25/38/948082538.db2.gz AZBSFHFNXRGELN-HZPDHXFCSA-N -1 1 380.412 0.255 20 0 GCADMM CC(=O)N(Cc1ccccc1)[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573413548 948082549 /nfs/dbraw/zinc/08/25/49/948082549.db2.gz AZBSFHFNXRGELN-HZPDHXFCSA-N -1 1 380.412 0.255 20 0 GCADMM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)[C@@H]2C)C1 ZINC001573413791 948086938 /nfs/dbraw/zinc/08/69/38/948086938.db2.gz GDZVFNZMLAXVBT-JOYOIKCWSA-N -1 1 390.473 0.511 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(NS(C)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826349134 948088953 /nfs/dbraw/zinc/08/89/53/948088953.db2.gz VIURFVIURIXZBB-UHFFFAOYSA-N -1 1 377.386 0.716 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(NS(C)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826349134 948088962 /nfs/dbraw/zinc/08/89/62/948088962.db2.gz VIURFVIURIXZBB-UHFFFAOYSA-N -1 1 377.386 0.716 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1-c1nnn[n-]1 ZINC000826349201 948090367 /nfs/dbraw/zinc/09/03/67/948090367.db2.gz ZEQNTIMKCNUWFK-UHFFFAOYSA-N -1 1 397.395 0.817 20 0 GCADMM Cc1onc(CC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1-c1nn[n-]n1 ZINC000826349201 948090379 /nfs/dbraw/zinc/09/03/79/948090379.db2.gz ZEQNTIMKCNUWFK-UHFFFAOYSA-N -1 1 397.395 0.817 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccn1 ZINC001573667072 948094393 /nfs/dbraw/zinc/09/43/93/948094393.db2.gz XOUFJPGHTNAWMC-HIFPTAJRSA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccn1 ZINC001573667072 948094406 /nfs/dbraw/zinc/09/44/06/948094406.db2.gz XOUFJPGHTNAWMC-HIFPTAJRSA-N -1 1 382.432 0.954 20 0 GCADMM CC(=O)N1CC(C(=O)N(C)C[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573415555 948110150 /nfs/dbraw/zinc/11/01/50/948110150.db2.gz XMDKBAFXEFNDHS-MRVPVSSYSA-N -1 1 378.462 0.369 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)C)C1 ZINC001573421609 948140010 /nfs/dbraw/zinc/14/00/10/948140010.db2.gz HFLXODFQIWHUEP-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)C)C1 ZINC001573421609 948140015 /nfs/dbraw/zinc/14/00/15/948140015.db2.gz HFLXODFQIWHUEP-CYBMUJFWSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@H](C(=O)NCC(=O)c1ccc(Cl)cc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573677776 948141189 /nfs/dbraw/zinc/14/11/89/948141189.db2.gz DXMQMMWYROHLKT-SSDOTTSWSA-N -1 1 378.755 0.811 20 0 GCADMM CC(=O)N1CC(C(=O)NCC[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573423039 948144098 /nfs/dbraw/zinc/14/40/98/948144098.db2.gz MBDHMXVZPLPTBM-MRVPVSSYSA-N -1 1 378.462 0.417 20 0 GCADMM CC(=O)N1CC(C(=O)NCC2(Nc3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001573424231 948147792 /nfs/dbraw/zinc/14/77/92/948147792.db2.gz UKRHOUIOJUVRBY-UHFFFAOYSA-N -1 1 376.446 0.171 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573424267 948149588 /nfs/dbraw/zinc/14/95/88/948149588.db2.gz WNOFBTJNTLXKMM-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)N[C@@H](C)CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573424267 948149592 /nfs/dbraw/zinc/14/95/92/948149592.db2.gz WNOFBTJNTLXKMM-LURJTMIESA-N -1 1 384.853 0.372 20 0 GCADMM CC(=O)N1CC(C(=O)NCC2(Nc3snc(C)c3-c3nn[n-]n3)CCC2)C1 ZINC001573424279 948149608 /nfs/dbraw/zinc/14/96/08/948149608.db2.gz XHWCZGLHNDKHBO-UHFFFAOYSA-N -1 1 390.473 0.561 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cccn1 ZINC001573678681 948152233 /nfs/dbraw/zinc/15/22/33/948152233.db2.gz HUGDVJWDLDFQSR-AAEUAGOBSA-N -1 1 382.432 0.445 20 0 GCADMM 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GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cccnc1 ZINC001573695854 948311208 /nfs/dbraw/zinc/31/12/08/948311208.db2.gz JDAHVRAVMLCXRA-CYUUQNCZSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cccnc1 ZINC001573695854 948311215 /nfs/dbraw/zinc/31/12/15/948311215.db2.gz JDAHVRAVMLCXRA-CYUUQNCZSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(F)F ZINC001573695891 948311679 /nfs/dbraw/zinc/31/16/79/948311679.db2.gz JFJFMXRNCKAAMO-XWLWVQCSSA-N -1 1 378.387 0.746 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573444782 948318424 /nfs/dbraw/zinc/31/84/24/948318424.db2.gz VVTZXUPCHMIEQC-WCQYABFASA-N -1 1 387.448 0.140 20 0 GCADMM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573444782 948318431 /nfs/dbraw/zinc/31/84/31/948318431.db2.gz VVTZXUPCHMIEQC-WCQYABFASA-N -1 1 387.448 0.140 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cccnc1 ZINC001573696186 948318822 /nfs/dbraw/zinc/31/88/22/948318822.db2.gz LVFUVFKLOBUVKG-NGFQHRJXSA-N -1 1 391.439 0.654 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccco1 ZINC001573696763 948334616 /nfs/dbraw/zinc/33/46/16/948334616.db2.gz WVDMXPFCJRHZDK-ZDEQEGDKSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccco1 ZINC001573696763 948334622 /nfs/dbraw/zinc/33/46/22/948334622.db2.gz WVDMXPFCJRHZDK-ZDEQEGDKSA-N -1 1 380.412 0.852 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573702016 948342411 /nfs/dbraw/zinc/34/24/11/948342411.db2.gz CNDZPCUQFWTMTM-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573702542 948346840 /nfs/dbraw/zinc/34/68/40/948346840.db2.gz FCRJVIVQKSLCGV-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573702542 948346845 /nfs/dbraw/zinc/34/68/45/948346845.db2.gz FCRJVIVQKSLCGV-TZMCWYRMSA-N -1 1 379.428 0.940 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573703675 948357723 /nfs/dbraw/zinc/35/77/23/948357723.db2.gz LYGFJADSFOBVQW-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573703675 948357727 /nfs/dbraw/zinc/35/77/27/948357727.db2.gz LYGFJADSFOBVQW-CHWSQXEVSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573704176 948366778 /nfs/dbraw/zinc/36/67/78/948366778.db2.gz QBENVBHDINHHHD-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573704176 948366782 /nfs/dbraw/zinc/36/67/82/948366782.db2.gz QBENVBHDINHHHD-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573704500 948373411 /nfs/dbraw/zinc/37/34/11/948373411.db2.gz BHQJQBVFPULXDY-UWVGGRQHSA-N -1 1 384.487 0.052 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573704502 948376172 /nfs/dbraw/zinc/37/61/72/948376172.db2.gz BHQJQBVFPULXDY-ZJUUUORDSA-N -1 1 384.487 0.052 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573704739 948380920 /nfs/dbraw/zinc/38/09/20/948380920.db2.gz DGURIPXZRSWHPT-RYUDHWBXSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnn(C)c1 ZINC001573704739 948380926 /nfs/dbraw/zinc/38/09/26/948380926.db2.gz DGURIPXZRSWHPT-RYUDHWBXSA-N -1 1 382.432 0.136 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)C1CCC1 ZINC001573705062 948391461 /nfs/dbraw/zinc/39/14/61/948391461.db2.gz COKGEFAYKUXXEP-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)[N-]Cc1nc(C(F)(F)F)no1 ZINC000826486394 948401590 /nfs/dbraw/zinc/40/15/90/948401590.db2.gz AXSAHJYMCASGGY-UHFFFAOYSA-N -1 1 389.319 0.888 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573706191 948413228 /nfs/dbraw/zinc/41/32/28/948413228.db2.gz KFSSCSLLPZCIES-OLZOCXBDSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573706191 948413232 /nfs/dbraw/zinc/41/32/32/948413232.db2.gz KFSSCSLLPZCIES-OLZOCXBDSA-N -1 1 379.428 0.798 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573706168 948414375 /nfs/dbraw/zinc/41/43/75/948414375.db2.gz ZGVMGJSIRZOQCL-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573706168 948414382 /nfs/dbraw/zinc/41/43/82/948414382.db2.gz ZGVMGJSIRZOQCL-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001573706252 948415354 /nfs/dbraw/zinc/41/53/54/948415354.db2.gz ZRXHQDAUQSYIJM-QWHCGFSZSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)c1ccco1 ZINC001573706430 948418304 /nfs/dbraw/zinc/41/83/04/948418304.db2.gz JBHDBQFEOIHADR-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)c1ccco1 ZINC001573706430 948418308 /nfs/dbraw/zinc/41/83/08/948418308.db2.gz JBHDBQFEOIHADR-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C1CCCC1 ZINC001573706395 948418845 /nfs/dbraw/zinc/41/88/45/948418845.db2.gz IYHHAGLSSCAQTF-GXTWGEPZSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)c1ccco1 ZINC001573706426 948418866 /nfs/dbraw/zinc/41/88/66/948418866.db2.gz JBHDBQFEOIHADR-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)c1ccco1 ZINC001573706426 948418872 /nfs/dbraw/zinc/41/88/72/948418872.db2.gz JBHDBQFEOIHADR-NEPJUHHUSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CCCC1 ZINC001573706626 948422676 /nfs/dbraw/zinc/42/26/76/948422676.db2.gz JTAJSHFWOLLLGN-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CCCC1 ZINC001573706626 948422680 /nfs/dbraw/zinc/42/26/80/948422680.db2.gz JTAJSHFWOLLLGN-OCCSQVGLSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)n1cccc1 ZINC001573707483 948433668 /nfs/dbraw/zinc/43/36/68/948433668.db2.gz NVCISGZLGFXZQP-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)n1cccc1 ZINC001573707483 948433675 /nfs/dbraw/zinc/43/36/75/948433675.db2.gz NVCISGZLGFXZQP-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)n1cccc1 ZINC001573707487 948433774 /nfs/dbraw/zinc/43/37/74/948433774.db2.gz NVCISGZLGFXZQP-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)n1cccc1 ZINC001573707487 948433775 /nfs/dbraw/zinc/43/37/75/948433775.db2.gz NVCISGZLGFXZQP-OLZOCXBDSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1)c1ccco1 ZINC001573707837 948439637 /nfs/dbraw/zinc/43/96/37/948439637.db2.gz QCFNJKOKMRUHPY-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1)c1ccco1 ZINC001573707837 948439647 /nfs/dbraw/zinc/43/96/47/948439647.db2.gz QCFNJKOKMRUHPY-RYUDHWBXSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)n1cccc1 ZINC001573708101 948442657 /nfs/dbraw/zinc/44/26/57/948442657.db2.gz RPNIOPHGCQSZJY-CHWSQXEVSA-N -1 1 383.416 0.041 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573708110 948442847 /nfs/dbraw/zinc/44/28/47/948442847.db2.gz RPVWTEFCOJVEFC-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573708110 948442851 /nfs/dbraw/zinc/44/28/51/948442851.db2.gz RPVWTEFCOJVEFC-BDAKNGLRSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573708114 948443390 /nfs/dbraw/zinc/44/33/90/948443390.db2.gz RPVWTEFCOJVEFC-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573708114 948443394 /nfs/dbraw/zinc/44/33/94/948443394.db2.gz RPVWTEFCOJVEFC-IUCAKERBSA-N -1 1 386.338 0.177 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573708489 948451837 /nfs/dbraw/zinc/45/18/37/948451837.db2.gz VHBHPWKEQDTMOY-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573708489 948451843 /nfs/dbraw/zinc/45/18/43/948451843.db2.gz VHBHPWKEQDTMOY-VXGBXAGGSA-N -1 1 384.400 0.375 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573708520 948452230 /nfs/dbraw/zinc/45/22/30/948452230.db2.gz WBPIMSPYHBGYBG-NSHDSACASA-N -1 1 383.420 0.208 20 0 GCADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573708520 948452238 /nfs/dbraw/zinc/45/22/38/948452238.db2.gz WBPIMSPYHBGYBG-NSHDSACASA-N -1 1 383.420 0.208 20 0 GCADMM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)n1cccn1 ZINC001573708725 948457289 /nfs/dbraw/zinc/45/72/89/948457289.db2.gz XOFYXAHXZXMUDI-GFCCVEGCSA-N -1 1 382.432 0.235 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573708888 948461306 /nfs/dbraw/zinc/46/13/06/948461306.db2.gz YHGJWELVAJKTOI-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573708888 948461312 /nfs/dbraw/zinc/46/13/12/948461312.db2.gz YHGJWELVAJKTOI-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573713945 948467025 /nfs/dbraw/zinc/46/70/25/948467025.db2.gz CJNQXIOMDCYPOM-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573713945 948467028 /nfs/dbraw/zinc/46/70/28/948467028.db2.gz CJNQXIOMDCYPOM-STQMWFEESA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573714096 948469618 /nfs/dbraw/zinc/46/96/18/948469618.db2.gz DLXDMGFVINDLJN-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573714096 948469623 /nfs/dbraw/zinc/46/96/23/948469623.db2.gz DLXDMGFVINDLJN-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccc(F)cc1F ZINC001573716493 948499599 /nfs/dbraw/zinc/49/95/99/948499599.db2.gz GWCZMOPFZPHDDR-MRVPVSSYSA-N -1 1 391.338 0.327 20 0 GCADMM C[C@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)n1cncn1 ZINC001573717081 948504791 /nfs/dbraw/zinc/50/47/91/948504791.db2.gz BLYXBGPNSGGTKR-SSDOTTSWSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)n1cncn1 ZINC001573717083 948504990 /nfs/dbraw/zinc/50/49/90/948504990.db2.gz BLYXBGPNSGGTKR-ZETCQYMHSA-N -1 1 382.841 0.382 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(C)C ZINC001573718118 948514285 /nfs/dbraw/zinc/51/42/85/948514285.db2.gz HUKHKHFFKPQABB-ZDUSSCGKSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(C)C ZINC001573718118 948514293 /nfs/dbraw/zinc/51/42/93/948514293.db2.gz HUKHKHFFKPQABB-ZDUSSCGKSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@H](C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573721040 948537951 /nfs/dbraw/zinc/53/79/51/948537951.db2.gz VPGNYMHWWZXZPP-ZDUSSCGKSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(C)C ZINC001573721549 948538941 /nfs/dbraw/zinc/53/89/41/948538941.db2.gz YBNGUIAPKFWYCE-ZDUSSCGKSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@@H](C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(C)C ZINC001573721549 948538947 /nfs/dbraw/zinc/53/89/47/948538947.db2.gz YBNGUIAPKFWYCE-ZDUSSCGKSA-N -1 1 387.492 0.577 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccc1 ZINC001573725541 948543503 /nfs/dbraw/zinc/54/35/03/948543503.db2.gz ANBWLNWEJLJNMA-HZSPNIEDSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccc1 ZINC001573725541 948543507 /nfs/dbraw/zinc/54/35/07/948543507.db2.gz ANBWLNWEJLJNMA-HZSPNIEDSA-N -1 1 381.444 0.908 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573727658 948556193 /nfs/dbraw/zinc/55/61/93/948556193.db2.gz BDTMQXTTZWTQBA-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573727658 948556197 /nfs/dbraw/zinc/55/61/97/948556197.db2.gz BDTMQXTTZWTQBA-GVXVVHGQSA-N -1 1 382.432 0.501 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cncn1 ZINC001573729853 948571611 /nfs/dbraw/zinc/57/16/11/948571611.db2.gz VKKSOTZWBKTPJT-SDDRHHMPSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cncn1 ZINC001573729853 948571615 /nfs/dbraw/zinc/57/16/15/948571615.db2.gz VKKSOTZWBKTPJT-SDDRHHMPSA-N -1 1 383.420 0.206 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1)n1cncn1 ZINC001573732583 948604158 /nfs/dbraw/zinc/60/41/58/948604158.db2.gz RYNBALVPHKJANG-NKWVEPMBSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1)n1cncn1 ZINC001573732583 948604160 /nfs/dbraw/zinc/60/41/60/948604160.db2.gz RYNBALVPHKJANG-NKWVEPMBSA-N -1 1 382.841 0.746 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573736053 948611642 /nfs/dbraw/zinc/61/16/42/948611642.db2.gz DJAFNNXTJMNKRC-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573736053 948611651 /nfs/dbraw/zinc/61/16/51/948611651.db2.gz DJAFNNXTJMNKRC-JHJVBQTASA-N -1 1 382.432 0.954 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573736227 948613009 /nfs/dbraw/zinc/61/30/09/948613009.db2.gz JLDWULBECFDAEU-BFHYXJOUSA-N -1 1 381.444 0.981 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573739890 948625712 /nfs/dbraw/zinc/62/57/12/948625712.db2.gz IHFWLFSRTPMFCA-BYNQJWBRSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573739890 948625713 /nfs/dbraw/zinc/62/57/13/948625713.db2.gz IHFWLFSRTPMFCA-BYNQJWBRSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccc(F)c1 ZINC001573740166 948629074 /nfs/dbraw/zinc/62/90/74/948629074.db2.gz GLDSBUNHEORHPS-VCTAVGKDSA-N -1 1 398.402 0.265 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccc(F)c1 ZINC001573740166 948629077 /nfs/dbraw/zinc/62/90/77/948629077.db2.gz GLDSBUNHEORHPS-VCTAVGKDSA-N -1 1 398.402 0.265 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1ccsc1 ZINC001573740369 948632069 /nfs/dbraw/zinc/63/20/69/948632069.db2.gz JLZDFPUEGVOQLQ-WQAKAFBOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)c1ccsc1 ZINC001573740369 948632079 /nfs/dbraw/zinc/63/20/79/948632079.db2.gz JLZDFPUEGVOQLQ-WQAKAFBOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1ccsc1 ZINC001573740499 948635786 /nfs/dbraw/zinc/63/57/86/948635786.db2.gz JZNZHROBKWNYGP-BIMULSAOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)c1ccsc1 ZINC001573740499 948635792 /nfs/dbraw/zinc/63/57/92/948635792.db2.gz JZNZHROBKWNYGP-BIMULSAOSA-N -1 1 386.441 0.188 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC001573740601 948637854 /nfs/dbraw/zinc/63/78/54/948637854.db2.gz QQRYOLQBEVIFKT-NTZNESFSSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC001573740601 948637858 /nfs/dbraw/zinc/63/78/58/948637858.db2.gz QQRYOLQBEVIFKT-NTZNESFSSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)n1cccn1 ZINC001573740715 948641231 /nfs/dbraw/zinc/64/12/31/948641231.db2.gz SBSCEEQNHNKWRG-LOWDOPEQSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)n1cccn1 ZINC001573740715 948641234 /nfs/dbraw/zinc/64/12/34/948641234.db2.gz SBSCEEQNHNKWRG-LOWDOPEQSA-N -1 1 380.416 0.340 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1cccnc1 ZINC001573740841 948643882 /nfs/dbraw/zinc/64/38/82/948643882.db2.gz UDRJWCGGFOAGKO-TYNCELHUSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1cccnc1 ZINC001573740841 948643886 /nfs/dbraw/zinc/64/38/86/948643886.db2.gz UDRJWCGGFOAGKO-TYNCELHUSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccnc1 ZINC001573741194 948652204 /nfs/dbraw/zinc/65/22/04/948652204.db2.gz YUMIIYYDDFCEBQ-YRGRVCCFSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccnc1 ZINC001573741194 948652208 /nfs/dbraw/zinc/65/22/08/948652208.db2.gz YUMIIYYDDFCEBQ-YRGRVCCFSA-N -1 1 379.428 0.796 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1cnn(C)c1 ZINC001573745118 948669315 /nfs/dbraw/zinc/66/93/15/948669315.db2.gz AZEHMMCTNVTXMF-WZRBSPASSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1cnn(C)c1 ZINC001573745118 948669320 /nfs/dbraw/zinc/66/93/20/948669320.db2.gz AZEHMMCTNVTXMF-WZRBSPASSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573745699 948673366 /nfs/dbraw/zinc/67/33/66/948673366.db2.gz GVEAOANDSNJGHK-BBBLOLIVSA-N -1 1 377.409 0.191 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573745700 948674569 /nfs/dbraw/zinc/67/45/69/948674569.db2.gz GVEAOANDSNJGHK-LPEHRKFASA-N -1 1 377.409 0.191 20 0 GCADMM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573745917 948676190 /nfs/dbraw/zinc/67/61/90/948676190.db2.gz GVEAOANDSNJGHK-GUBZILKMSA-N -1 1 377.409 0.191 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1cnn(C)c1 ZINC001573746473 948681983 /nfs/dbraw/zinc/68/19/83/948681983.db2.gz MEIKJSFRABJZTC-WZRBSPASSA-N -1 1 382.432 0.277 20 0 GCADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1cnn(C)c1 ZINC001573746473 948681987 /nfs/dbraw/zinc/68/19/87/948681987.db2.gz MEIKJSFRABJZTC-WZRBSPASSA-N -1 1 382.432 0.277 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574075286 948743494 /nfs/dbraw/zinc/74/34/94/948743494.db2.gz WTTMCAUAUVLIJB-DOMZBBRYSA-N -1 1 392.439 0.441 20 0 GCADMM CC(C)[C@H](F)C(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574075286 948743502 /nfs/dbraw/zinc/74/35/02/948743502.db2.gz WTTMCAUAUVLIJB-DOMZBBRYSA-N -1 1 392.439 0.441 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c(F)cncc1F ZINC001574678320 948745744 /nfs/dbraw/zinc/74/57/44/948745744.db2.gz CUSLIZQINVUQBD-MRVPVSSYSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c(F)cncc1F ZINC001574678320 948745748 /nfs/dbraw/zinc/74/57/48/948745748.db2.gz CUSLIZQINVUQBD-MRVPVSSYSA-N -1 1 375.343 0.950 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574678408 948748923 /nfs/dbraw/zinc/74/89/23/948748923.db2.gz FNKBHJLTGXKDRI-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574678408 948748931 /nfs/dbraw/zinc/74/89/31/948748931.db2.gz FNKBHJLTGXKDRI-JTQLQIEISA-N -1 1 385.436 0.624 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574678360 948749423 /nfs/dbraw/zinc/74/94/23/948749423.db2.gz DQTWRICNXRUNKO-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574678360 948749432 /nfs/dbraw/zinc/74/94/32/948749432.db2.gz DQTWRICNXRUNKO-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574678436 948749905 /nfs/dbraw/zinc/74/99/05/948749905.db2.gz FSFUDHXROSXBHB-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574678436 948749919 /nfs/dbraw/zinc/74/99/19/948749919.db2.gz FSFUDHXROSXBHB-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574914626 948750851 /nfs/dbraw/zinc/75/08/51/948750851.db2.gz LNJQZYUJSSMDOH-JTQLQIEISA-N -1 1 388.382 0.906 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001574416660 948755174 /nfs/dbraw/zinc/75/51/74/948755174.db2.gz BTMQSTGFZZFJMR-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001574416660 948755188 /nfs/dbraw/zinc/75/51/88/948755188.db2.gz BTMQSTGFZZFJMR-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574678672 948755515 /nfs/dbraw/zinc/75/55/15/948755515.db2.gz HYWRIZWDWTXSQJ-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574678672 948755524 /nfs/dbraw/zinc/75/55/24/948755524.db2.gz HYWRIZWDWTXSQJ-LLVKDONJSA-N -1 1 382.432 0.738 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574679012 948761819 /nfs/dbraw/zinc/76/18/19/948761819.db2.gz LUFMZGKWVAFCHO-QWRGUYRKSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574679012 948761827 /nfs/dbraw/zinc/76/18/27/948761827.db2.gz LUFMZGKWVAFCHO-QWRGUYRKSA-N -1 1 382.432 0.492 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C(F)F)n(C)n1 ZINC001574679031 948761898 /nfs/dbraw/zinc/76/18/98/948761898.db2.gz MGEMSNXOVCWNQW-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C(F)F)n(C)n1 ZINC001574679031 948761909 /nfs/dbraw/zinc/76/19/09/948761909.db2.gz MGEMSNXOVCWNQW-QMMMGPOBSA-N -1 1 392.374 0.948 20 0 GCADMM CC(F)(F)C1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575223269 948762039 /nfs/dbraw/zinc/76/20/39/948762039.db2.gz MMJMXZPLHBKKEV-SNVBAGLBSA-N -1 1 378.387 0.821 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574416811 948762529 /nfs/dbraw/zinc/76/25/29/948762529.db2.gz IZHSGZDUZKWXPP-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574416811 948762536 /nfs/dbraw/zinc/76/25/36/948762536.db2.gz IZHSGZDUZKWXPP-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COCc1ccncc1 ZINC001574679055 948765659 /nfs/dbraw/zinc/76/56/59/948765659.db2.gz MLAPJJDTQMSCLC-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COCc1ccncc1 ZINC001574679055 948765668 /nfs/dbraw/zinc/76/56/68/948765668.db2.gz MLAPJJDTQMSCLC-GFCCVEGCSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574679048 948768147 /nfs/dbraw/zinc/76/81/47/948768147.db2.gz MIVRNXAHGXCGID-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574679048 948768161 /nfs/dbraw/zinc/76/81/61/948768161.db2.gz MIVRNXAHGXCGID-JTQLQIEISA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cn1ccc(C(F)F)n1 ZINC001574679297 948772528 /nfs/dbraw/zinc/77/25/28/948772528.db2.gz SEUQADIOJVHGDR-VIFPVBQESA-N -1 1 392.374 0.798 20 0 GCADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cn1ccc(C(F)F)n1 ZINC001574679297 948772540 /nfs/dbraw/zinc/77/25/40/948772540.db2.gz SEUQADIOJVHGDR-VIFPVBQESA-N -1 1 392.374 0.798 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001574418180 948774206 /nfs/dbraw/zinc/77/42/06/948774206.db2.gz UZZDNEOGNMNYJZ-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001574418180 948774218 /nfs/dbraw/zinc/77/42/18/948774218.db2.gz UZZDNEOGNMNYJZ-AWEZNQCLSA-N -1 1 382.428 0.983 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574418165 948774290 /nfs/dbraw/zinc/77/42/90/948774290.db2.gz UJQYPHFAUZUWFH-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574418165 948774308 /nfs/dbraw/zinc/77/43/08/948774308.db2.gz UJQYPHFAUZUWFH-NSHDSACASA-N -1 1 383.416 0.378 20 0 GCADMM CC(F)(F)C1(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575223920 948774409 /nfs/dbraw/zinc/77/44/09/948774409.db2.gz PIKOYNZWZJGVAD-UHFFFAOYSA-N -1 1 378.387 0.917 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574679423 948781465 /nfs/dbraw/zinc/78/14/65/948781465.db2.gz VAUBAJHVXDLGFV-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574679423 948781478 /nfs/dbraw/zinc/78/14/78/948781478.db2.gz VAUBAJHVXDLGFV-SNVBAGLBSA-N -1 1 380.416 0.945 20 0 GCADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224344 948784940 /nfs/dbraw/zinc/78/49/40/948784940.db2.gz UUARGDAKLPNOIW-JTQLQIEISA-N -1 1 378.387 0.774 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1occ2c1CCOC2 ZINC001574679565 948788017 /nfs/dbraw/zinc/78/80/17/948788017.db2.gz YDBGMZJMRQRORJ-SNVBAGLBSA-N -1 1 384.400 0.943 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1occ2c1CCOC2 ZINC001574679565 948788023 /nfs/dbraw/zinc/78/80/23/948788023.db2.gz YDBGMZJMRQRORJ-SNVBAGLBSA-N -1 1 384.400 0.943 20 0 GCADMM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575224582 948788419 /nfs/dbraw/zinc/78/84/19/948788419.db2.gz PDWISOXXGSBAPA-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575224582 948788428 /nfs/dbraw/zinc/78/84/28/948788428.db2.gz PDWISOXXGSBAPA-OAHLLOKOSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575224579 948788556 /nfs/dbraw/zinc/78/85/56/948788556.db2.gz PDWISOXXGSBAPA-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575224579 948788561 /nfs/dbraw/zinc/78/85/61/948788561.db2.gz PDWISOXXGSBAPA-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001575224558 948789633 /nfs/dbraw/zinc/78/96/33/948789633.db2.gz PAWXBNHFXPRZFP-BMIGLBTASA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001575224558 948789648 /nfs/dbraw/zinc/78/96/48/948789648.db2.gz PAWXBNHFXPRZFP-BMIGLBTASA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001575224739 948790565 /nfs/dbraw/zinc/79/05/65/948790565.db2.gz QOWJRAHFWSNQHS-BMIGLBTASA-N -1 1 378.387 0.987 20 0 GCADMM CC(F)(F)CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001575224739 948790576 /nfs/dbraw/zinc/79/05/76/948790576.db2.gz QOWJRAHFWSNQHS-BMIGLBTASA-N -1 1 378.387 0.987 20 0 GCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc2n1CCCC2 ZINC001574679648 948793313 /nfs/dbraw/zinc/79/33/13/948793313.db2.gz ZRIXAVMNHZLKRS-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc2n1CCCC2 ZINC001574679648 948793331 /nfs/dbraw/zinc/79/33/31/948793331.db2.gz ZRIXAVMNHZLKRS-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756043 948794768 /nfs/dbraw/zinc/79/47/68/948794768.db2.gz LMSATYYTEKKPBI-SSDOTTSWSA-N -1 1 380.365 0.201 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574680082 948795403 /nfs/dbraw/zinc/79/54/03/948795403.db2.gz DCAYEVRJXMTJKO-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574680082 948795412 /nfs/dbraw/zinc/79/54/12/948795412.db2.gz DCAYEVRJXMTJKO-JTQLQIEISA-N -1 1 384.404 0.256 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575225365 948801018 /nfs/dbraw/zinc/80/10/18/948801018.db2.gz YWOXNJVYKKUTSQ-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM CC(F)(F)CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575225365 948801034 /nfs/dbraw/zinc/80/10/34/948801034.db2.gz YWOXNJVYKKUTSQ-JTQLQIEISA-N -1 1 382.375 0.731 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncc2n1CCCC2 ZINC001574680108 948800949 /nfs/dbraw/zinc/80/09/49/948800949.db2.gz DNIUBKLYKMQOTI-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncc2n1CCCC2 ZINC001574680108 948800969 /nfs/dbraw/zinc/80/09/69/948800969.db2.gz DNIUBKLYKMQOTI-LLVKDONJSA-N -1 1 382.432 0.810 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574680325 948804249 /nfs/dbraw/zinc/80/42/49/948804249.db2.gz GBTQZPOFJDVEMY-IAQYHMDHSA-N -1 1 380.412 0.967 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574680325 948804266 /nfs/dbraw/zinc/80/42/66/948804266.db2.gz GBTQZPOFJDVEMY-IAQYHMDHSA-N -1 1 380.412 0.967 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574420826 948805003 /nfs/dbraw/zinc/80/50/03/948805003.db2.gz AYNLLYOEUJWDCO-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM CC(C)c1ccoc1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574420826 948805019 /nfs/dbraw/zinc/80/50/19/948805019.db2.gz AYNLLYOEUJWDCO-LLVKDONJSA-N -1 1 386.416 0.918 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574680492 948805472 /nfs/dbraw/zinc/80/54/72/948805472.db2.gz HLYDHELVXSAMMD-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574680492 948805487 /nfs/dbraw/zinc/80/54/87/948805487.db2.gz HLYDHELVXSAMMD-SNVBAGLBSA-N -1 1 382.432 0.499 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001574420854 948807413 /nfs/dbraw/zinc/80/74/13/948807413.db2.gz BYXVNKRTUHVODF-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574420854 948807433 /nfs/dbraw/zinc/80/74/33/948807433.db2.gz BYXVNKRTUHVODF-OLZOCXBDSA-N -1 1 384.400 0.353 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(CN(C)C)on1 ZINC001574681325 948813980 /nfs/dbraw/zinc/81/39/80/948813980.db2.gz LJXCOYUKZKVZEF-SNVBAGLBSA-N -1 1 386.420 0.327 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1ccccc1=O ZINC001574682176 948825423 /nfs/dbraw/zinc/82/54/23/948825423.db2.gz PIYYSFILNYKDMC-LBPRGKRZSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1ccccc1=O ZINC001574682176 948825440 /nfs/dbraw/zinc/82/54/40/948825440.db2.gz PIYYSFILNYKDMC-LBPRGKRZSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn2c1OCCC2 ZINC001574682203 948825754 /nfs/dbraw/zinc/82/57/54/948825754.db2.gz PTVJZQGYURTVLW-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn2c1OCCC2 ZINC001574682203 948825773 /nfs/dbraw/zinc/82/57/73/948825773.db2.gz PTVJZQGYURTVLW-SNVBAGLBSA-N -1 1 384.404 0.256 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CC1 ZINC001575227372 948828645 /nfs/dbraw/zinc/82/86/45/948828645.db2.gz VIUWAOCEAFRJQN-MYJAWHEDSA-N -1 1 376.371 0.643 20 0 GCADMM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CC1 ZINC001575227372 948828665 /nfs/dbraw/zinc/82/86/65/948828665.db2.gz VIUWAOCEAFRJQN-MYJAWHEDSA-N -1 1 376.371 0.643 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574682137 948828921 /nfs/dbraw/zinc/82/89/21/948828921.db2.gz OVYPZTFJOIBFNJ-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574682137 948828929 /nfs/dbraw/zinc/82/89/29/948828929.db2.gz OVYPZTFJOIBFNJ-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001575229179 948838212 /nfs/dbraw/zinc/83/82/12/948838212.db2.gz DHXFYBJHFWUGBG-SNVBAGLBSA-N -1 1 382.375 0.414 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574683202 948842845 /nfs/dbraw/zinc/84/28/45/948842845.db2.gz VQYNPJQYMJLQOH-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574683202 948842861 /nfs/dbraw/zinc/84/28/61/948842861.db2.gz VQYNPJQYMJLQOH-NSHDSACASA-N -1 1 382.432 0.810 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn2ccncc12 ZINC001574683235 948845247 /nfs/dbraw/zinc/84/52/47/948845247.db2.gz WICMWINFSSMTHQ-JTQLQIEISA-N -1 1 379.388 0.320 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn2ccncc12 ZINC001574683235 948845259 /nfs/dbraw/zinc/84/52/59/948845259.db2.gz WICMWINFSSMTHQ-JTQLQIEISA-N -1 1 379.388 0.320 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn2ccncc12 ZINC001574683236 948845301 /nfs/dbraw/zinc/84/53/01/948845301.db2.gz WICMWINFSSMTHQ-SNVBAGLBSA-N -1 1 379.388 0.320 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn2ccncc12 ZINC001574683236 948845325 /nfs/dbraw/zinc/84/53/25/948845325.db2.gz WICMWINFSSMTHQ-SNVBAGLBSA-N -1 1 379.388 0.320 20 0 GCADMM CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574424126 948846058 /nfs/dbraw/zinc/84/60/58/948846058.db2.gz FTKFWAJJEWNMHM-SNVBAGLBSA-N -1 1 388.457 0.466 20 0 GCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574683268 948847179 /nfs/dbraw/zinc/84/71/79/948847179.db2.gz WXMIUPYXFMPOTD-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc(C(N)=O)c1 ZINC001574683268 948847194 /nfs/dbraw/zinc/84/71/94/948847194.db2.gz WXMIUPYXFMPOTD-SNVBAGLBSA-N -1 1 381.400 0.376 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cn1cc(Cl)cn1 ZINC001574683216 948847596 /nfs/dbraw/zinc/84/75/96/948847596.db2.gz VXVUWHCBSNPZGV-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cn1cc(Cl)cn1 ZINC001574683216 948847608 /nfs/dbraw/zinc/84/76/08/948847608.db2.gz VXVUWHCBSNPZGV-VIFPVBQESA-N -1 1 376.812 0.514 20 0 GCADMM C[C@H](CNC(=O)CCCc1cccnc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574918568 948850519 /nfs/dbraw/zinc/85/05/19/948850519.db2.gz NPSBGMMJHULIOM-ZDUSSCGKSA-N -1 1 381.444 0.661 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COCc1cccnc1 ZINC001574683401 948851747 /nfs/dbraw/zinc/85/17/47/948851747.db2.gz ZPANRHCMYZKEGF-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COCc1cccnc1 ZINC001574683401 948851765 /nfs/dbraw/zinc/85/17/65/948851765.db2.gz ZPANRHCMYZKEGF-LBPRGKRZSA-N -1 1 383.416 0.575 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574684380 948862459 /nfs/dbraw/zinc/86/24/59/948862459.db2.gz DZHWLTQWTMJMHS-RQJHMYQMSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574684401 948866151 /nfs/dbraw/zinc/86/61/51/948866151.db2.gz FRQJWYSNINQIIE-RITPCOANSA-N -1 1 386.825 0.392 20 0 GCADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001573763156 948867487 /nfs/dbraw/zinc/86/74/87/948867487.db2.gz CBYDTMWAXBFHHG-CYBMUJFWSA-N -1 1 386.460 0.544 20 0 GCADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ncn(C)n1 ZINC001574684541 948872431 /nfs/dbraw/zinc/87/24/31/948872431.db2.gz IAVQEYTWLQXPQU-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM CC(C)c1nc([C@H](CO)NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cs1 ZINC001574425487 948874214 /nfs/dbraw/zinc/87/42/14/948874214.db2.gz GBEMPWZJETZHSY-IUCAKERBSA-N -1 1 377.434 0.449 20 0 GCADMM CC(C)c1nc([C@@H](CO)NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cs1 ZINC001574425488 948874579 /nfs/dbraw/zinc/87/45/79/948874579.db2.gz GBEMPWZJETZHSY-RKDXNWHRSA-N -1 1 377.434 0.449 20 0 GCADMM CC(C)c1nc(CCNS(=O)(=O)c2ccsc2-c2nn[n-]n2)n(C)n1 ZINC001574426883 948893841 /nfs/dbraw/zinc/89/38/41/948893841.db2.gz VKILBTVRFHNUJN-UHFFFAOYSA-N -1 1 382.475 0.701 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575234229 948895597 /nfs/dbraw/zinc/89/55/97/948895597.db2.gz QBRVOTWBJOXQMR-YFKPBYRVSA-N -1 1 381.796 0.911 20 0 GCADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574684914 948896204 /nfs/dbraw/zinc/89/62/04/948896204.db2.gz PDVWPFYEADJDSU-QYNIQEEDSA-N -1 1 384.853 0.405 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575234706 948901736 /nfs/dbraw/zinc/90/17/36/948901736.db2.gz RDHFUHDIPNPZHD-RXMQYKEDSA-N -1 1 381.796 0.911 20 0 GCADMM CC(F)(F)CC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575234706 948901743 /nfs/dbraw/zinc/90/17/43/948901743.db2.gz RDHFUHDIPNPZHD-RXMQYKEDSA-N -1 1 381.796 0.911 20 0 GCADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCOCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574087857 948903729 /nfs/dbraw/zinc/90/37/29/948903729.db2.gz BJSRSELDEXTJIT-FZKQIMNGSA-N -1 1 388.476 0.908 20 0 GCADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCOCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574087857 948903735 /nfs/dbraw/zinc/90/37/35/948903735.db2.gz BJSRSELDEXTJIT-FZKQIMNGSA-N -1 1 388.476 0.908 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427600 948908470 /nfs/dbraw/zinc/90/84/70/948908470.db2.gz INEKORKWQRNNLI-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427600 948908486 /nfs/dbraw/zinc/90/84/86/948908486.db2.gz INEKORKWQRNNLI-SECBINFHSA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574920876 948908742 /nfs/dbraw/zinc/90/87/42/948908742.db2.gz QAULLQOQDDNVSV-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574920876 948908754 /nfs/dbraw/zinc/90/87/54/948908754.db2.gz QAULLQOQDDNVSV-JTQLQIEISA-N -1 1 386.420 0.713 20 0 GCADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccnc1 ZINC001573765405 948909265 /nfs/dbraw/zinc/90/92/65/948909265.db2.gz CRUIAEHUXHPIPS-UHFFFAOYSA-N -1 1 379.428 0.678 20 0 GCADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC001573765405 948909282 /nfs/dbraw/zinc/90/92/82/948909282.db2.gz CRUIAEHUXHPIPS-UHFFFAOYSA-N -1 1 379.428 0.678 20 0 GCADMM CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001573765490 948914216 /nfs/dbraw/zinc/91/42/16/948914216.db2.gz KKIUAZKSTOXMFM-UHFFFAOYSA-N -1 1 379.428 0.678 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001574427945 948916879 /nfs/dbraw/zinc/91/68/79/948916879.db2.gz VBQRAYMKBBYOOY-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001574427945 948916897 /nfs/dbraw/zinc/91/68/97/948916897.db2.gz VBQRAYMKBBYOOY-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001575235467 948919461 /nfs/dbraw/zinc/91/94/61/948919461.db2.gz VNPVDNLUUQBWCG-AWEZNQCLSA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001575235467 948919467 /nfs/dbraw/zinc/91/94/67/948919467.db2.gz VNPVDNLUUQBWCG-AWEZNQCLSA-N -1 1 382.375 0.414 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)s1 ZINC001574428036 948922676 /nfs/dbraw/zinc/92/26/76/948922676.db2.gz XZCFULRQYUWTQB-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)c1ncc(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)s1 ZINC001574428036 948922684 /nfs/dbraw/zinc/92/26/84/948922684.db2.gz XZCFULRQYUWTQB-VIFPVBQESA-N -1 1 389.445 0.439 20 0 GCADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573766028 948930366 /nfs/dbraw/zinc/93/03/66/948930366.db2.gz USKHQRJOAPZAQU-KBPBESRZSA-N -1 1 391.439 0.819 20 0 GCADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573766028 948930373 /nfs/dbraw/zinc/93/03/73/948930373.db2.gz USKHQRJOAPZAQU-KBPBESRZSA-N -1 1 391.439 0.819 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575236972 948940674 /nfs/dbraw/zinc/94/06/74/948940674.db2.gz CAXYQUDEYKNVME-RTCCRHLQSA-N -1 1 378.387 0.891 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575236972 948940680 /nfs/dbraw/zinc/94/06/80/948940680.db2.gz CAXYQUDEYKNVME-RTCCRHLQSA-N -1 1 378.387 0.891 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001575236844 948941550 /nfs/dbraw/zinc/94/15/50/948941550.db2.gz AGQYJBFZICQPLA-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001575236844 948941567 /nfs/dbraw/zinc/94/15/67/948941567.db2.gz AGQYJBFZICQPLA-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575236853 948942473 /nfs/dbraw/zinc/94/24/73/948942473.db2.gz AJSJKWRWKWLMQV-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575236853 948942487 /nfs/dbraw/zinc/94/24/87/948942487.db2.gz AJSJKWRWKWLMQV-JTQLQIEISA-N -1 1 382.375 0.414 20 0 GCADMM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574923338 948944517 /nfs/dbraw/zinc/94/45/17/948944517.db2.gz KAMPWAVRBXMDPF-LBPRGKRZSA-N -1 1 383.416 0.073 20 0 GCADMM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574923338 948944530 /nfs/dbraw/zinc/94/45/30/948944530.db2.gz KAMPWAVRBXMDPF-LBPRGKRZSA-N -1 1 383.416 0.073 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575237351 948945246 /nfs/dbraw/zinc/94/52/46/948945246.db2.gz FIZDKAQKVMWBPC-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575237351 948945267 /nfs/dbraw/zinc/94/52/67/948945267.db2.gz FIZDKAQKVMWBPC-HNNXBMFYSA-N -1 1 382.375 0.150 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574433338 948952279 /nfs/dbraw/zinc/95/22/79/948952279.db2.gz VIBUDSZMQHCRTF-LLVKDONJSA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574433338 948952296 /nfs/dbraw/zinc/95/22/96/948952296.db2.gz VIBUDSZMQHCRTF-LLVKDONJSA-N -1 1 382.432 0.825 20 0 GCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089491 948955327 /nfs/dbraw/zinc/95/53/27/948955327.db2.gz HUEISKDCXLZJEM-UONOGXRCSA-N -1 1 385.476 0.187 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433387 948957273 /nfs/dbraw/zinc/95/72/73/948957273.db2.gz XPVQILREVYYHNS-NSHDSACASA-N -1 1 382.432 0.613 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574433639 948959679 /nfs/dbraw/zinc/95/96/79/948959679.db2.gz ZQWIZYTTYYSSDA-UHFFFAOYSA-N -1 1 380.416 0.945 20 0 GCADMM CC(C)c1ncncc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574433639 948959689 /nfs/dbraw/zinc/95/96/89/948959689.db2.gz ZQWIZYTTYYSSDA-UHFFFAOYSA-N -1 1 380.416 0.945 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574923864 948960349 /nfs/dbraw/zinc/96/03/49/948960349.db2.gz SRKBATZNPPNHFA-SNVBAGLBSA-N -1 1 390.839 0.538 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574923864 948960356 /nfs/dbraw/zinc/96/03/56/948960356.db2.gz SRKBATZNPPNHFA-SNVBAGLBSA-N -1 1 390.839 0.538 20 0 GCADMM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001575239593 948964661 /nfs/dbraw/zinc/96/46/61/948964661.db2.gz UYGSALHLVKMOGB-VHSXEESVSA-N -1 1 382.375 0.148 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433838 948966812 /nfs/dbraw/zinc/96/68/12/948966812.db2.gz SBEYJKWOYXQCLX-NSHDSACASA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574433864 948967727 /nfs/dbraw/zinc/96/77/27/948967727.db2.gz UGEQSDRGZZRFHO-UHFFFAOYSA-N -1 1 384.448 0.722 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574924328 948970646 /nfs/dbraw/zinc/97/06/46/948970646.db2.gz ZRVDXRAJUBOWHV-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM C[C@H](CNC(=O)CCn1cc(Cl)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574924328 948970660 /nfs/dbraw/zinc/97/06/60/948970660.db2.gz ZRVDXRAJUBOWHV-SECBINFHSA-N -1 1 376.812 0.514 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001574689116 948977399 /nfs/dbraw/zinc/97/73/99/948977399.db2.gz CTYOKZXYMPZVEK-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001574689116 948977408 /nfs/dbraw/zinc/97/74/08/948977408.db2.gz CTYOKZXYMPZVEK-VXGBXAGGSA-N -1 1 382.432 0.423 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573773410 948982080 /nfs/dbraw/zinc/98/20/80/948982080.db2.gz BFPPJDIJBRNKCC-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573773410 948982091 /nfs/dbraw/zinc/98/20/91/948982091.db2.gz BFPPJDIJBRNKCC-ZDUSSCGKSA-N -1 1 382.428 0.524 20 0 GCADMM C[C@@H](CNC(=O)CN1CCCC1=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926085 948983270 /nfs/dbraw/zinc/98/32/70/948983270.db2.gz IAAKGRIEVIJMEZ-ZETCQYMHSA-N -1 1 384.853 0.516 20 0 GCADMM C[C@H](F)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001575243138 948990217 /nfs/dbraw/zinc/99/02/17/948990217.db2.gz NKVXZDUENHBGEC-AAEUAGOBSA-N -1 1 377.424 0.906 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574689759 948994086 /nfs/dbraw/zinc/99/40/86/948994086.db2.gz LKTZJOFDGYDUCZ-AAEUAGOBSA-N -1 1 379.428 0.773 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574689759 948994094 /nfs/dbraw/zinc/99/40/94/948994094.db2.gz LKTZJOFDGYDUCZ-AAEUAGOBSA-N -1 1 379.428 0.773 20 0 GCADMM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001573774052 948995879 /nfs/dbraw/zinc/99/58/79/948995879.db2.gz JIODCJOAOFAEDR-UHFFFAOYSA-N -1 1 386.460 0.592 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCO1 ZINC001574090890 948997840 /nfs/dbraw/zinc/99/78/40/948997840.db2.gz JUSAWHTWZYIESM-NWDGAFQWSA-N -1 1 390.448 0.816 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCO1 ZINC001574090890 948997851 /nfs/dbraw/zinc/99/78/51/948997851.db2.gz JUSAWHTWZYIESM-NWDGAFQWSA-N -1 1 390.448 0.816 20 0 GCADMM CC(C)c1noc(CCC(=O)NCCN(C)c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574439208 949001510 /nfs/dbraw/zinc/00/15/10/949001510.db2.gz CNBMKXGQACEQEV-UHFFFAOYSA-N -1 1 386.420 0.348 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574439456 949008600 /nfs/dbraw/zinc/00/86/00/949008600.db2.gz FGGVWZVTDRTAMD-UHFFFAOYSA-N -1 1 388.461 0.840 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574439456 949008612 /nfs/dbraw/zinc/00/86/12/949008612.db2.gz FGGVWZVTDRTAMD-UHFFFAOYSA-N -1 1 388.461 0.840 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)C1CCC1 ZINC001573774536 949011508 /nfs/dbraw/zinc/01/15/08/949011508.db2.gz UTXDRFPRFXCEJA-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O)C1CCC1 ZINC001573774536 949011522 /nfs/dbraw/zinc/01/15/22/949011522.db2.gz UTXDRFPRFXCEJA-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574926602 949014132 /nfs/dbraw/zinc/01/41/32/949014132.db2.gz AOOJXCMESGYCOO-LBPRGKRZSA-N -1 1 379.428 0.058 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001575502170 949015199 /nfs/dbraw/zinc/01/51/99/949015199.db2.gz IFRJROUGZYHJEY-AGIUHOORSA-N -1 1 395.427 0.603 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001575502170 949015217 /nfs/dbraw/zinc/01/52/17/949015217.db2.gz IFRJROUGZYHJEY-AGIUHOORSA-N -1 1 395.427 0.603 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001573774581 949017063 /nfs/dbraw/zinc/01/70/63/949017063.db2.gz OGGZQIYSPDANJN-VXGBXAGGSA-N -1 1 390.448 0.141 20 0 GCADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001573774581 949017085 /nfs/dbraw/zinc/01/70/85/949017085.db2.gz OGGZQIYSPDANJN-VXGBXAGGSA-N -1 1 390.448 0.141 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574926668 949017023 /nfs/dbraw/zinc/01/70/23/949017023.db2.gz CHAHEPBGPMYAQE-NSHDSACASA-N -1 1 381.400 0.003 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574926668 949017038 /nfs/dbraw/zinc/01/70/38/949017038.db2.gz CHAHEPBGPMYAQE-NSHDSACASA-N -1 1 381.400 0.003 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)C1CCC1 ZINC001573774860 949020287 /nfs/dbraw/zinc/02/02/87/949020287.db2.gz XKPYMUDQHGAEED-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O)C1CCC1 ZINC001573774860 949020307 /nfs/dbraw/zinc/02/03/07/949020307.db2.gz XKPYMUDQHGAEED-OCCSQVGLSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574440111 949022603 /nfs/dbraw/zinc/02/26/03/949022603.db2.gz NSHLBMVHHYUQFS-SECBINFHSA-N -1 1 388.461 0.626 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575245392 949025333 /nfs/dbraw/zinc/02/53/33/949025333.db2.gz AYBXDLDWQSAPRQ-GHMZBOCLSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575245392 949025354 /nfs/dbraw/zinc/02/53/54/949025354.db2.gz AYBXDLDWQSAPRQ-GHMZBOCLSA-N -1 1 389.464 0.148 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926942 949030371 /nfs/dbraw/zinc/03/03/71/949030371.db2.gz ZXKFXQRHDCIKCZ-CYBMUJFWSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926942 949030390 /nfs/dbraw/zinc/03/03/90/949030390.db2.gz ZXKFXQRHDCIKCZ-CYBMUJFWSA-N -1 1 381.444 0.957 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575502829 949031333 /nfs/dbraw/zinc/03/13/33/949031333.db2.gz KTWRBKGZHCVPOX-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575502829 949031350 /nfs/dbraw/zinc/03/13/50/949031350.db2.gz KTWRBKGZHCVPOX-RYUDHWBXSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926982 949032293 /nfs/dbraw/zinc/03/22/93/949032293.db2.gz DWOGJXQJAWGMHY-LLVKDONJSA-N -1 1 389.464 0.373 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926982 949032272 /nfs/dbraw/zinc/03/22/72/949032272.db2.gz DWOGJXQJAWGMHY-LLVKDONJSA-N -1 1 389.464 0.373 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574926972 949032561 /nfs/dbraw/zinc/03/25/61/949032561.db2.gz DRZSOWVBPSLFEE-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574926972 949032545 /nfs/dbraw/zinc/03/25/45/949032545.db2.gz DRZSOWVBPSLFEE-SECBINFHSA-N -1 1 387.429 0.065 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246437 949035574 /nfs/dbraw/zinc/03/55/74/949035574.db2.gz GJUJYPPOIDKTCE-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575246437 949035552 /nfs/dbraw/zinc/03/55/52/949035552.db2.gz GJUJYPPOIDKTCE-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575503387 949047182 /nfs/dbraw/zinc/04/71/82/949047182.db2.gz PJMHMNCZZLPBQT-VXGBXAGGSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575503387 949047199 /nfs/dbraw/zinc/04/71/99/949047199.db2.gz PJMHMNCZZLPBQT-VXGBXAGGSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1ccccc1=O ZINC001574693201 949052655 /nfs/dbraw/zinc/05/26/55/949052655.db2.gz CDVYNFJTTWZABD-LBPRGKRZSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1ccccc1=O ZINC001574693201 949052663 /nfs/dbraw/zinc/05/26/63/949052663.db2.gz CDVYNFJTTWZABD-LBPRGKRZSA-N -1 1 383.416 0.215 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575503902 949053239 /nfs/dbraw/zinc/05/32/39/949053239.db2.gz QJSAUYXKNLAEKR-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575503902 949053261 /nfs/dbraw/zinc/05/32/61/949053261.db2.gz QJSAUYXKNLAEKR-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574441154 949053243 /nfs/dbraw/zinc/05/32/43/949053243.db2.gz GCHNVTCVYHVGFK-RTUWITSCSA-N -1 1 381.400 0.633 20 0 GCADMM CC(C)c1nocc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574441154 949053257 /nfs/dbraw/zinc/05/32/57/949053257.db2.gz GCHNVTCVYHVGFK-RTUWITSCSA-N -1 1 381.400 0.633 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575248139 949059289 /nfs/dbraw/zinc/05/92/89/949059289.db2.gz ODZNVDGKIWIPHC-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575248139 949059269 /nfs/dbraw/zinc/05/92/69/949059269.db2.gz ODZNVDGKIWIPHC-WDEREUQCSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574092454 949059401 /nfs/dbraw/zinc/05/94/01/949059401.db2.gz RJHIBQIDZMLMEZ-OLZOCXBDSA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574092317 949060325 /nfs/dbraw/zinc/06/03/25/949060325.db2.gz NUBPZQJPHOCWFG-KBPBESRZSA-N -1 1 388.476 0.790 20 0 GCADMM CC(C)c1occc1C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001574441625 949065993 /nfs/dbraw/zinc/06/59/93/949065993.db2.gz PQHPUNBIXQFMFH-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM CC(C)c1occc1C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001574441625 949066018 /nfs/dbraw/zinc/06/60/18/949066018.db2.gz PQHPUNBIXQFMFH-UHFFFAOYSA-N -1 1 386.416 0.920 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575504427 949067506 /nfs/dbraw/zinc/06/75/06/949067506.db2.gz UFZOIZDCFQXUGI-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575504427 949067525 /nfs/dbraw/zinc/06/75/25/949067525.db2.gz UFZOIZDCFQXUGI-RYUDHWBXSA-N -1 1 381.400 0.214 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ncn(C)n1 ZINC001574694119 949069019 /nfs/dbraw/zinc/06/90/19/949069019.db2.gz LJKIEUWQVQWIQX-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ncn(C)n1 ZINC001574694119 949069039 /nfs/dbraw/zinc/06/90/39/949069039.db2.gz LJKIEUWQVQWIQX-ZCFIWIBFSA-N -1 1 382.841 0.726 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575248403 949069805 /nfs/dbraw/zinc/06/98/05/949069805.db2.gz RKEFURBEELICKS-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575248403 949069815 /nfs/dbraw/zinc/06/98/15/949069815.db2.gz RKEFURBEELICKS-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574694258 949070834 /nfs/dbraw/zinc/07/08/34/949070834.db2.gz MGSPCGPFDOVDMT-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574694258 949070854 /nfs/dbraw/zinc/07/08/54/949070854.db2.gz MGSPCGPFDOVDMT-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575504451 949071935 /nfs/dbraw/zinc/07/19/35/949071935.db2.gz UUTIYCNVUUXQHJ-VXGBXAGGSA-N -1 1 383.416 0.460 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575504451 949071952 /nfs/dbraw/zinc/07/19/52/949071952.db2.gz UUTIYCNVUUXQHJ-VXGBXAGGSA-N -1 1 383.416 0.460 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573779878 949072691 /nfs/dbraw/zinc/07/26/91/949072691.db2.gz OPGCQCBZPRLKNE-OAHLLOKOSA-N -1 1 382.375 0.005 20 0 GCADMM CC(C)(C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573779878 949072711 /nfs/dbraw/zinc/07/27/11/949072711.db2.gz OPGCQCBZPRLKNE-OAHLLOKOSA-N -1 1 382.375 0.005 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574929144 949083393 /nfs/dbraw/zinc/08/33/93/949083393.db2.gz ZHFYBMNPRVNYSN-NSHDSACASA-N -1 1 389.464 0.373 20 0 GCADMM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574929144 949083414 /nfs/dbraw/zinc/08/34/14/949083414.db2.gz ZHFYBMNPRVNYSN-NSHDSACASA-N -1 1 389.464 0.373 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575504769 949088145 /nfs/dbraw/zinc/08/81/45/949088145.db2.gz XOQQIRMHDUAJRG-GFCCVEGCSA-N -1 1 381.400 0.168 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575504769 949088170 /nfs/dbraw/zinc/08/81/70/949088170.db2.gz XOQQIRMHDUAJRG-GFCCVEGCSA-N -1 1 381.400 0.168 20 0 GCADMM CC(C)c1nocc1C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574442187 949089913 /nfs/dbraw/zinc/08/99/13/949089913.db2.gz LFWRITDZJNMNHK-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM CC(C)c1nocc1C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574442187 949089934 /nfs/dbraw/zinc/08/99/34/949089934.db2.gz LFWRITDZJNMNHK-UHFFFAOYSA-N -1 1 387.404 0.315 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C(=O)Nc1ccccc1 ZINC001575249175 949090881 /nfs/dbraw/zinc/09/08/81/949090881.db2.gz XCGDXJQUXWNCMU-MNOVXSKESA-N -1 1 381.400 0.601 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C(=O)Nc1ccccc1 ZINC001575249175 949090876 /nfs/dbraw/zinc/09/08/76/949090876.db2.gz XCGDXJQUXWNCMU-MNOVXSKESA-N -1 1 381.400 0.601 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573780357 949092327 /nfs/dbraw/zinc/09/23/27/949092327.db2.gz WVTPDELPNJGKCT-NSHDSACASA-N -1 1 382.432 0.300 20 0 GCADMM C[C@@H](CNC(=O)COCCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574929543 949096326 /nfs/dbraw/zinc/09/63/26/949096326.db2.gz GFJCOXKRJZPXHJ-ZDUSSCGKSA-N -1 1 382.428 0.833 20 0 GCADMM C[C@@H](CNC(=O)COCCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574929543 949096311 /nfs/dbraw/zinc/09/63/11/949096311.db2.gz GFJCOXKRJZPXHJ-ZDUSSCGKSA-N -1 1 382.428 0.833 20 0 GCADMM CC(C)(C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573780980 949098048 /nfs/dbraw/zinc/09/80/48/949098048.db2.gz ABUNCAQRVUOIIC-UHFFFAOYSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnnn1C ZINC001574694800 949098043 /nfs/dbraw/zinc/09/80/43/949098043.db2.gz WODAXTJRDSODBC-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnnn1C ZINC001574694800 949098062 /nfs/dbraw/zinc/09/80/62/949098062.db2.gz WODAXTJRDSODBC-LURJTMIESA-N -1 1 382.841 0.726 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573781338 949104403 /nfs/dbraw/zinc/10/44/03/949104403.db2.gz FKXZMKIPBBTQPX-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573781338 949104417 /nfs/dbraw/zinc/10/44/17/949104417.db2.gz FKXZMKIPBBTQPX-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)C(N)=O)[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575250072 949105664 /nfs/dbraw/zinc/10/56/64/949105664.db2.gz CYUSUAYUAHUGHR-RQJHMYQMSA-N -1 1 384.853 0.183 20 0 GCADMM C[C@@H](NC(=O)C(N)=O)[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575250072 949105676 /nfs/dbraw/zinc/10/56/76/949105676.db2.gz CYUSUAYUAHUGHR-RQJHMYQMSA-N -1 1 384.853 0.183 20 0 GCADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573781526 949107286 /nfs/dbraw/zinc/10/72/86/949107286.db2.gz JAUXKDQGYAFAFS-PHIMTYICSA-N -1 1 382.432 0.086 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574695390 949108299 /nfs/dbraw/zinc/10/82/99/949108299.db2.gz GVVQYSNSRHWKNU-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574695390 949108310 /nfs/dbraw/zinc/10/83/10/949108310.db2.gz GVVQYSNSRHWKNU-MRVPVSSYSA-N -1 1 376.812 0.664 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cc(Cl)cn1 ZINC001574695581 949111357 /nfs/dbraw/zinc/11/13/57/949111357.db2.gz IDWYOIKNKIUFMR-SNVBAGLBSA-N -1 1 390.839 0.904 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cc(Cl)cn1 ZINC001574695581 949111368 /nfs/dbraw/zinc/11/13/68/949111368.db2.gz IDWYOIKNKIUFMR-SNVBAGLBSA-N -1 1 390.839 0.904 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574695401 949112678 /nfs/dbraw/zinc/11/26/78/949112678.db2.gz HABKGRRMLGTZIF-SNVBAGLBSA-N -1 1 383.420 0.594 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574695401 949112686 /nfs/dbraw/zinc/11/26/86/949112686.db2.gz HABKGRRMLGTZIF-SNVBAGLBSA-N -1 1 383.420 0.594 20 0 GCADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446167 949118331 /nfs/dbraw/zinc/11/83/31/949118331.db2.gz IZCDPUNUHLIJNL-GHMZBOCLSA-N -1 1 383.416 0.763 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573782351 949118724 /nfs/dbraw/zinc/11/87/24/949118724.db2.gz SOPWDPFIICIREB-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573782351 949118739 /nfs/dbraw/zinc/11/87/39/949118739.db2.gz SOPWDPFIICIREB-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574931454 949118664 /nfs/dbraw/zinc/11/86/64/949118664.db2.gz PHWVQVJDFDXCJP-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@@H](CNC(=O)COCc1cccnc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574931454 949118676 /nfs/dbraw/zinc/11/86/76/949118676.db2.gz PHWVQVJDFDXCJP-LBPRGKRZSA-N -1 1 383.416 0.433 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C(F)F)c1 ZINC001574695896 949119160 /nfs/dbraw/zinc/11/91/60/949119160.db2.gz KPSQFRAFNWVXDO-MRVPVSSYSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C(F)F)c1 ZINC001574695896 949119172 /nfs/dbraw/zinc/11/91/72/949119172.db2.gz KPSQFRAFNWVXDO-MRVPVSSYSA-N -1 1 378.347 0.869 20 0 GCADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1nccnc1-c1nnn[n-]1 ZINC001574931531 949119784 /nfs/dbraw/zinc/11/97/84/949119784.db2.gz QKAPPARLBGHNHW-NWDGAFQWSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1nccnc1-c1nn[n-]n1 ZINC001574931531 949119801 /nfs/dbraw/zinc/11/98/01/949119801.db2.gz QKAPPARLBGHNHW-NWDGAFQWSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1nccnc1-c1nnn[n-]1 ZINC001574931533 949120322 /nfs/dbraw/zinc/12/03/22/949120322.db2.gz QKAPPARLBGHNHW-RYUDHWBXSA-N -1 1 376.421 0.017 20 0 GCADMM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1nccnc1-c1nn[n-]n1 ZINC001574931533 949120336 /nfs/dbraw/zinc/12/03/36/949120336.db2.gz QKAPPARLBGHNHW-RYUDHWBXSA-N -1 1 376.421 0.017 20 0 GCADMM CC(C)c1ocnc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446189 949123536 /nfs/dbraw/zinc/12/35/36/949123536.db2.gz JMKXYOZREYLXLO-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574696390 949127175 /nfs/dbraw/zinc/12/71/75/949127175.db2.gz PJJHXFJQCIPNOJ-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574696390 949127179 /nfs/dbraw/zinc/12/71/79/949127179.db2.gz PJJHXFJQCIPNOJ-JTQLQIEISA-N -1 1 382.432 0.499 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C2CC2)nn1C ZINC001574696463 949133362 /nfs/dbraw/zinc/13/33/62/949133362.db2.gz RBBUPNIWNFQDCF-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C2CC2)nn1C ZINC001574696463 949133372 /nfs/dbraw/zinc/13/33/72/949133372.db2.gz RBBUPNIWNFQDCF-SNVBAGLBSA-N -1 1 382.432 0.888 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCOCC1 ZINC001573782859 949137574 /nfs/dbraw/zinc/13/75/74/949137574.db2.gz LZFOPGKTTLMDEX-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCOCC1 ZINC001573782859 949137586 /nfs/dbraw/zinc/13/75/86/949137586.db2.gz LZFOPGKTTLMDEX-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574094637 949140335 /nfs/dbraw/zinc/14/03/35/949140335.db2.gz ZFSQYLSHBIHLED-STQMWFEESA-N -1 1 386.460 0.396 20 0 GCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574094637 949140352 /nfs/dbraw/zinc/14/03/52/949140352.db2.gz ZFSQYLSHBIHLED-STQMWFEESA-N -1 1 386.460 0.396 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2ccccn21 ZINC001574696830 949141062 /nfs/dbraw/zinc/14/10/62/949141062.db2.gz VNINWECVIRYEOV-LLVKDONJSA-N -1 1 378.400 0.925 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2ccccn21 ZINC001574696830 949141073 /nfs/dbraw/zinc/14/10/73/949141073.db2.gz VNINWECVIRYEOV-LLVKDONJSA-N -1 1 378.400 0.925 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001574696800 949142165 /nfs/dbraw/zinc/14/21/65/949142165.db2.gz UQUARHVKQJTMJC-HTQZYQBOSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001574696800 949142173 /nfs/dbraw/zinc/14/21/73/949142173.db2.gz UQUARHVKQJTMJC-HTQZYQBOSA-N -1 1 387.853 0.699 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cn1ccc(C(F)F)n1 ZINC001574696807 949142603 /nfs/dbraw/zinc/14/26/03/949142603.db2.gz USQRBXACRZHUBI-VIFPVBQESA-N -1 1 392.374 0.798 20 0 GCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cn1ccc(C(F)F)n1 ZINC001574696807 949142613 /nfs/dbraw/zinc/14/26/13/949142613.db2.gz USQRBXACRZHUBI-VIFPVBQESA-N -1 1 392.374 0.798 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cn1ccc(C(F)F)n1 ZINC001574696806 949143690 /nfs/dbraw/zinc/14/36/90/949143690.db2.gz USQRBXACRZHUBI-SECBINFHSA-N -1 1 392.374 0.798 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cn1ccc(C(F)F)n1 ZINC001574696806 949143702 /nfs/dbraw/zinc/14/37/02/949143702.db2.gz USQRBXACRZHUBI-SECBINFHSA-N -1 1 392.374 0.798 20 0 GCADMM C[C@@H](CNC(=O)COc1ccccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574933988 949145772 /nfs/dbraw/zinc/14/57/72/949145772.db2.gz AHGMZKJWKRSLOD-LLVKDONJSA-N -1 1 386.391 0.461 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(F)(F)F ZINC001573786829 949150224 /nfs/dbraw/zinc/15/02/24/949150224.db2.gz DUNAXRNKZIIZQV-VROVMSAKSA-N -1 1 382.350 0.796 20 0 GCADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(F)(F)F ZINC001573786829 949150237 /nfs/dbraw/zinc/15/02/37/949150237.db2.gz DUNAXRNKZIIZQV-VROVMSAKSA-N -1 1 382.350 0.796 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574934095 949150572 /nfs/dbraw/zinc/15/05/72/949150572.db2.gz BSCYRZSSKIKQCX-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CNC(=O)COc1ccccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574934095 949150581 /nfs/dbraw/zinc/15/05/81/949150581.db2.gz BSCYRZSSKIKQCX-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574697184 949151157 /nfs/dbraw/zinc/15/11/57/949151157.db2.gz ZRRZDINHGGEHRG-OWTLIXCDSA-N -1 1 388.432 0.015 20 0 GCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574697184 949151165 /nfs/dbraw/zinc/15/11/65/949151165.db2.gz ZRRZDINHGGEHRG-OWTLIXCDSA-N -1 1 388.432 0.015 20 0 GCADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574095451 949154170 /nfs/dbraw/zinc/15/41/70/949154170.db2.gz YNNPZAFBJWMKMJ-XDQVBPFNSA-N -1 1 386.460 0.589 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O)C1CCCC1 ZINC001573786921 949156300 /nfs/dbraw/zinc/15/63/00/949156300.db2.gz GGNKCERZLPVHGJ-ZIAGYGMSSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O)C1CCCC1 ZINC001573786921 949156318 /nfs/dbraw/zinc/15/63/18/949156318.db2.gz GGNKCERZLPVHGJ-ZIAGYGMSSA-N -1 1 386.460 0.539 20 0 GCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574934406 949158742 /nfs/dbraw/zinc/15/87/42/949158742.db2.gz HKVJTUJYXKQPSD-LLVKDONJSA-N -1 1 386.391 0.461 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574934462 949162940 /nfs/dbraw/zinc/16/29/40/949162940.db2.gz INSDXGKSKHXVIA-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM C[C@H](CNC(=O)COc1ccc(F)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574934462 949162949 /nfs/dbraw/zinc/16/29/49/949162949.db2.gz INSDXGKSKHXVIA-LLVKDONJSA-N -1 1 386.391 0.816 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O)C1CCCC1 ZINC001573787077 949163752 /nfs/dbraw/zinc/16/37/52/949163752.db2.gz MKCWRBHZXFRERA-ZIAGYGMSSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O)C1CCCC1 ZINC001573787077 949163767 /nfs/dbraw/zinc/16/37/67/949163767.db2.gz MKCWRBHZXFRERA-ZIAGYGMSSA-N -1 1 386.460 0.539 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574448194 949178547 /nfs/dbraw/zinc/17/85/47/949178547.db2.gz FKRLREPQKSXTBR-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574448194 949178560 /nfs/dbraw/zinc/17/85/60/949178560.db2.gz FKRLREPQKSXTBR-SNVBAGLBSA-N -1 1 387.404 0.313 20 0 GCADMM CC(C)c1oncc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574448309 949181288 /nfs/dbraw/zinc/18/12/88/949181288.db2.gz HTONMWNYJLAKNL-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698248 949184420 /nfs/dbraw/zinc/18/44/20/949184420.db2.gz HQQNRBYSPLTBNC-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698248 949184433 /nfs/dbraw/zinc/18/44/33/949184433.db2.gz HQQNRBYSPLTBNC-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698513 949194440 /nfs/dbraw/zinc/19/44/40/949194440.db2.gz MGGACKHOSUFWOX-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698513 949194452 /nfs/dbraw/zinc/19/44/52/949194452.db2.gz MGGACKHOSUFWOX-NEPJUHHUSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698468 949194483 /nfs/dbraw/zinc/19/44/83/949194483.db2.gz LIXUUCBRDGAUNH-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnn(C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698468 949194496 /nfs/dbraw/zinc/19/44/96/949194496.db2.gz LIXUUCBRDGAUNH-NWDGAFQWSA-N -1 1 384.448 0.528 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2cnccc12)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574935324 949197220 /nfs/dbraw/zinc/19/72/20/949197220.db2.gz AHDKPOJNWJHNPP-LLVKDONJSA-N -1 1 392.427 0.717 20 0 GCADMM C[C@H](CNC(=O)Cc1c[nH]c2cnccc12)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574935324 949197231 /nfs/dbraw/zinc/19/72/31/949197231.db2.gz AHDKPOJNWJHNPP-LLVKDONJSA-N -1 1 392.427 0.717 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698726 949202206 /nfs/dbraw/zinc/20/22/06/949202206.db2.gz OAYRHZXSUGHKRO-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698726 949202224 /nfs/dbraw/zinc/20/22/24/949202224.db2.gz OAYRHZXSUGHKRO-MNOVXSKESA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698727 949203183 /nfs/dbraw/zinc/20/31/83/949203183.db2.gz OAYRHZXSUGHKRO-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698727 949203195 /nfs/dbraw/zinc/20/31/95/949203195.db2.gz OAYRHZXSUGHKRO-QWRGUYRKSA-N -1 1 389.464 0.466 20 0 GCADMM CC(C)(C(N)=O)C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001573788681 949204492 /nfs/dbraw/zinc/20/44/92/949204492.db2.gz SOZCGHHRFAQMMG-UHFFFAOYSA-N -1 1 385.432 0.008 20 0 GCADMM CC(C)(C(N)=O)C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001573788681 949204511 /nfs/dbraw/zinc/20/45/11/949204511.db2.gz SOZCGHHRFAQMMG-UHFFFAOYSA-N -1 1 385.432 0.008 20 0 GCADMM CC1(Nc2cnc(-c3nn[nH]n3)cn2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001575853234 949209229 /nfs/dbraw/zinc/20/92/29/949209229.db2.gz NRMHCVMYUFJDBY-UHFFFAOYSA-N -1 1 381.400 0.864 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698888 949213896 /nfs/dbraw/zinc/21/38/96/949213896.db2.gz PVJYQFHGDIAEFR-VXGBXAGGSA-N -1 1 383.416 0.200 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001575853607 949217716 /nfs/dbraw/zinc/21/77/16/949217716.db2.gz VMNHGFFGUFRDOG-LBPRGKRZSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001575853607 949217734 /nfs/dbraw/zinc/21/77/34/949217734.db2.gz VMNHGFFGUFRDOG-LBPRGKRZSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2nccnc2N)CC1 ZINC001575853608 949218284 /nfs/dbraw/zinc/21/82/84/949218284.db2.gz VNCUGWKTYKBWOJ-UHFFFAOYSA-N -1 1 381.404 0.136 20 0 GCADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2nccnc2N)CC1 ZINC001575853608 949218309 /nfs/dbraw/zinc/21/83/09/949218309.db2.gz VNCUGWKTYKBWOJ-UHFFFAOYSA-N -1 1 381.404 0.136 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573788845 949220420 /nfs/dbraw/zinc/22/04/20/949220420.db2.gz ZZFLMVIYZPCXJA-LLVKDONJSA-N -1 1 387.448 0.255 20 0 GCADMM CC(C)(C(N)=O)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573788845 949220442 /nfs/dbraw/zinc/22/04/42/949220442.db2.gz ZZFLMVIYZPCXJA-LLVKDONJSA-N -1 1 387.448 0.255 20 0 GCADMM C[C@H]1CCC[C@]1(C)C(=O)N(C)CCOCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576151534 949226188 /nfs/dbraw/zinc/22/61/88/949226188.db2.gz GGYQKACMGLEMAD-UGSOOPFHSA-N -1 1 388.476 0.792 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001575854036 949226509 /nfs/dbraw/zinc/22/65/09/949226509.db2.gz YUZZDBVILIHRSG-LBPRGKRZSA-N -1 1 388.432 0.255 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001575854036 949226528 /nfs/dbraw/zinc/22/65/28/949226528.db2.gz YUZZDBVILIHRSG-LBPRGKRZSA-N -1 1 388.432 0.255 20 0 GCADMM C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574937689 949229134 /nfs/dbraw/zinc/22/91/34/949229134.db2.gz PRWSYNNEUPMQES-GFCCVEGCSA-N -1 1 391.439 0.967 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001575854046 949231146 /nfs/dbraw/zinc/23/11/46/949231146.db2.gz REVMIQNWOZBDNB-UHFFFAOYSA-N -1 1 378.387 0.917 20 0 GCADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001575854417 949232904 /nfs/dbraw/zinc/23/29/04/949232904.db2.gz VXILWJUVGHKOMD-UHFFFAOYSA-N -1 1 381.400 0.286 20 0 GCADMM CC(C)c1scnc1C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574451544 949236910 /nfs/dbraw/zinc/23/69/10/949236910.db2.gz RWPLEBQAZGVFDQ-UHFFFAOYSA-N -1 1 376.402 0.139 20 0 GCADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001575855973 949241862 /nfs/dbraw/zinc/24/18/62/949241862.db2.gz CFULVLMPMVEDQO-INIZCTEOSA-N -1 1 376.396 0.578 20 0 GCADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001575855973 949241876 /nfs/dbraw/zinc/24/18/76/949241876.db2.gz CFULVLMPMVEDQO-INIZCTEOSA-N -1 1 376.396 0.578 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574699736 949245017 /nfs/dbraw/zinc/24/50/17/949245017.db2.gz WEJMUBNNLKHIGR-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699736 949245038 /nfs/dbraw/zinc/24/50/38/949245038.db2.gz WEJMUBNNLKHIGR-NWDGAFQWSA-N -1 1 383.416 0.778 20 0 GCADMM CC(C)(C)C(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573792489 949248189 /nfs/dbraw/zinc/24/81/89/949248189.db2.gz PQHVMGCXEBAKAX-CYBMUJFWSA-N -1 1 385.476 0.426 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574940165 949251938 /nfs/dbraw/zinc/25/19/38/949251938.db2.gz AIRQQTXECJSBAT-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574940165 949251957 /nfs/dbraw/zinc/25/19/57/949251957.db2.gz AIRQQTXECJSBAT-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574451993 949254313 /nfs/dbraw/zinc/25/43/13/949254313.db2.gz DJIURUWMJOCSHO-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574451993 949254332 /nfs/dbraw/zinc/25/43/32/949254332.db2.gz DJIURUWMJOCSHO-CYBMUJFWSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452004 949254646 /nfs/dbraw/zinc/25/46/46/949254646.db2.gz DSGPMMVUGIGNRV-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452004 949254664 /nfs/dbraw/zinc/25/46/64/949254664.db2.gz DSGPMMVUGIGNRV-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452229 949260829 /nfs/dbraw/zinc/26/08/29/949260829.db2.gz GZSLPZAYWJUGJR-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452229 949260848 /nfs/dbraw/zinc/26/08/48/949260848.db2.gz GZSLPZAYWJUGJR-ZDUSSCGKSA-N -1 1 382.432 0.785 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574940431 949261614 /nfs/dbraw/zinc/26/16/14/949261614.db2.gz FTVDXKFKHALJPB-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574940431 949261637 /nfs/dbraw/zinc/26/16/37/949261637.db2.gz FTVDXKFKHALJPB-NSHDSACASA-N -1 1 380.412 0.846 20 0 GCADMM CC(C)(C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573792759 949265657 /nfs/dbraw/zinc/26/56/57/949265657.db2.gz DHQPJVHJFCMJLI-YOGCLGLASA-N -1 1 384.444 0.888 20 0 GCADMM CC(C)(C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573792759 949265680 /nfs/dbraw/zinc/26/56/80/949265680.db2.gz DHQPJVHJFCMJLI-YOGCLGLASA-N -1 1 384.444 0.888 20 0 GCADMM CC(C)n1cc(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452994 949277365 /nfs/dbraw/zinc/27/73/65/949277365.db2.gz UVZMWAIUMNFPQC-UHFFFAOYSA-N -1 1 382.432 0.477 20 0 GCADMM CC1=C(C)C[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)CC1 ZINC001575860068 949289215 /nfs/dbraw/zinc/28/92/15/949289215.db2.gz CCRQCSZLFVYWOW-NWANDNLSSA-N -1 1 384.444 0.459 20 0 GCADMM CC1=C(C)C[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)CC1 ZINC001575860068 949289233 /nfs/dbraw/zinc/28/92/33/949289233.db2.gz CCRQCSZLFVYWOW-NWANDNLSSA-N -1 1 384.444 0.459 20 0 GCADMM C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941206 949293447 /nfs/dbraw/zinc/29/34/47/949293447.db2.gz PJLJHOKJAWXRSW-LLVKDONJSA-N -1 1 380.412 0.268 20 0 GCADMM CC(C)(C)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001573793742 949307674 /nfs/dbraw/zinc/30/76/74/949307674.db2.gz XVFIVVLLBFNFCA-TUAOUCFPSA-N -1 1 384.444 0.745 20 0 GCADMM CC(C)(C)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001573793742 949307690 /nfs/dbraw/zinc/30/76/90/949307690.db2.gz XVFIVVLLBFNFCA-TUAOUCFPSA-N -1 1 384.444 0.745 20 0 GCADMM CC(C)CC(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[n-]n3)n1)CCO2 ZINC001574109261 949317261 /nfs/dbraw/zinc/31/72/61/949317261.db2.gz WBCPTURVMBSPNF-UHFFFAOYSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575259140 949317925 /nfs/dbraw/zinc/31/79/25/949317925.db2.gz MLUQUCHJPUAJFF-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575259140 949317945 /nfs/dbraw/zinc/31/79/45/949317945.db2.gz MLUQUCHJPUAJFF-QWRGUYRKSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575259153 949318272 /nfs/dbraw/zinc/31/82/72/949318272.db2.gz MRKDAOUEVXCCKM-VXGBXAGGSA-N -1 1 386.416 0.266 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575259141 949319988 /nfs/dbraw/zinc/31/99/88/949319988.db2.gz MLUQUCHJPUAJFF-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575259141 949320012 /nfs/dbraw/zinc/32/00/12/949320012.db2.gz MLUQUCHJPUAJFF-WDEREUQCSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnon1 ZINC001576154191 949324642 /nfs/dbraw/zinc/32/46/42/949324642.db2.gz CJCAXRVBTYKFDO-HWPZZCPQSA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnon1 ZINC001576154191 949324664 /nfs/dbraw/zinc/32/46/64/949324664.db2.gz CJCAXRVBTYKFDO-HWPZZCPQSA-N -1 1 384.404 0.831 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458628 949341614 /nfs/dbraw/zinc/34/16/14/949341614.db2.gz UWDRFYVVDNUEKO-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458628 949341633 /nfs/dbraw/zinc/34/16/33/949341633.db2.gz UWDRFYVVDNUEKO-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574458674 949344629 /nfs/dbraw/zinc/34/46/29/949344629.db2.gz WZYBCZFDAUUSBO-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574458674 949344649 /nfs/dbraw/zinc/34/46/49/949344649.db2.gz WZYBCZFDAUUSBO-LBPRGKRZSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H]1CCC[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001576154586 949349144 /nfs/dbraw/zinc/34/91/44/949349144.db2.gz QDXYLZUVDCMDSW-MNOVXSKESA-N -1 1 376.421 0.397 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574459450 949359110 /nfs/dbraw/zinc/35/91/10/949359110.db2.gz HBBHIUBVAQAZIX-CYBMUJFWSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574459450 949359131 /nfs/dbraw/zinc/35/91/31/949359131.db2.gz HBBHIUBVAQAZIX-CYBMUJFWSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574942463 949359671 /nfs/dbraw/zinc/35/96/71/949359671.db2.gz PAAIXAPSGBRBLM-GFCCVEGCSA-N -1 1 384.448 0.841 20 0 GCADMM CC(C)n1ccc(CC(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574942463 949359694 /nfs/dbraw/zinc/35/96/94/949359694.db2.gz PAAIXAPSGBRBLM-GFCCVEGCSA-N -1 1 384.448 0.841 20 0 GCADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260801 949363350 /nfs/dbraw/zinc/36/33/50/949363350.db2.gz XQRPXMGORHOFHR-OCCSQVGLSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575260929 949366703 /nfs/dbraw/zinc/36/67/03/949366703.db2.gz YORSIIYGKJEJJU-JSGCOSHPSA-N -1 1 384.444 0.725 20 0 GCADMM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575260929 949366726 /nfs/dbraw/zinc/36/67/26/949366726.db2.gz YORSIIYGKJEJJU-JSGCOSHPSA-N -1 1 384.444 0.725 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001574459825 949367653 /nfs/dbraw/zinc/36/76/53/949367653.db2.gz LNPCLCLCEZPPAZ-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)n1ccc(CC(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001574459825 949367676 /nfs/dbraw/zinc/36/76/76/949367676.db2.gz LNPCLCLCEZPPAZ-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574460672 949375659 /nfs/dbraw/zinc/37/56/59/949375659.db2.gz WQYOZNFYVCTQEB-LBPRGKRZSA-N -1 1 385.432 0.584 20 0 GCADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574460672 949375681 /nfs/dbraw/zinc/37/56/81/949375681.db2.gz WQYOZNFYVCTQEB-LBPRGKRZSA-N -1 1 385.432 0.584 20 0 GCADMM C[C@@H]1CCC[C@@H](OCC(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154965 949375489 /nfs/dbraw/zinc/37/54/89/949375489.db2.gz SLTWWOQMRUGJOS-ZIAGYGMSSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574460668 949378435 /nfs/dbraw/zinc/37/84/35/949378435.db2.gz WNYYIPXFQQOACR-CYBMUJFWSA-N -1 1 382.432 0.372 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001574460685 949378834 /nfs/dbraw/zinc/37/88/34/949378834.db2.gz XJVRBNGKNIDULW-YABSGUDNSA-N -1 1 380.416 0.299 20 0 GCADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575527993 949385559 /nfs/dbraw/zinc/38/55/59/949385559.db2.gz KTIFLTXTXDQVRM-KPZWWZAWSA-N -1 1 386.460 0.544 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574463945 949394043 /nfs/dbraw/zinc/39/40/43/949394043.db2.gz CILAAFUOEMQUEG-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574463945 949394062 /nfs/dbraw/zinc/39/40/62/949394062.db2.gz CILAAFUOEMQUEG-GFCCVEGCSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574463922 949395193 /nfs/dbraw/zinc/39/51/93/949395193.db2.gz BGKKVCYDTKOSAM-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574463922 949395211 /nfs/dbraw/zinc/39/52/11/949395211.db2.gz BGKKVCYDTKOSAM-KRWDZBQOSA-N -1 1 382.432 0.833 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575263840 949410649 /nfs/dbraw/zinc/41/06/49/949410649.db2.gz KCZGMZPPXNNWTP-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnon1 ZINC001576155646 949413780 /nfs/dbraw/zinc/41/37/80/949413780.db2.gz JNVSZCJQRYUAGR-QLJPJBMISA-N -1 1 384.404 0.831 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnon1 ZINC001576155646 949413787 /nfs/dbraw/zinc/41/37/87/949413787.db2.gz JNVSZCJQRYUAGR-QLJPJBMISA-N -1 1 384.404 0.831 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574464662 949419323 /nfs/dbraw/zinc/41/93/23/949419323.db2.gz QIECRSFSMBBXGA-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574464662 949419338 /nfs/dbraw/zinc/41/93/38/949419338.db2.gz QIECRSFSMBBXGA-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574464642 949421212 /nfs/dbraw/zinc/42/12/12/949421212.db2.gz PMNUCXGGJCEXCE-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574464642 949421224 /nfs/dbraw/zinc/42/12/24/949421224.db2.gz PMNUCXGGJCEXCE-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575264190 949421186 /nfs/dbraw/zinc/42/11/86/949421186.db2.gz MQGKEMLNCZYHCV-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575264190 949421197 /nfs/dbraw/zinc/42/11/97/949421197.db2.gz MQGKEMLNCZYHCV-NSHDSACASA-N -1 1 389.464 0.150 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001573802583 949424150 /nfs/dbraw/zinc/42/41/50/949424150.db2.gz JMZOJKXXLCWOQH-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001573802583 949424167 /nfs/dbraw/zinc/42/41/67/949424167.db2.gz JMZOJKXXLCWOQH-UHFFFAOYSA-N -1 1 387.448 0.270 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575264520 949425980 /nfs/dbraw/zinc/42/59/80/949425980.db2.gz OANCBPVYVHXTOH-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575264520 949425991 /nfs/dbraw/zinc/42/59/91/949425991.db2.gz OANCBPVYVHXTOH-TZMCWYRMSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574946604 949435177 /nfs/dbraw/zinc/43/51/77/949435177.db2.gz WOYXUNJZAPNNEX-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574946604 949435208 /nfs/dbraw/zinc/43/52/08/949435208.db2.gz WOYXUNJZAPNNEX-LLVKDONJSA-N -1 1 382.432 0.349 20 0 GCADMM Cc1[nH][nH]c(=O)c1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001575867456 949438084 /nfs/dbraw/zinc/43/80/84/949438084.db2.gz YQCXZMFMYUBXRZ-LBPRGKRZSA-N -1 1 386.416 0.145 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575265108 949441845 /nfs/dbraw/zinc/44/18/45/949441845.db2.gz SJOXRJUQDFMXPD-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575265108 949441859 /nfs/dbraw/zinc/44/18/59/949441859.db2.gz SJOXRJUQDFMXPD-JTQLQIEISA-N -1 1 375.437 0.126 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574947470 949448448 /nfs/dbraw/zinc/44/84/48/949448448.db2.gz BCCMGGKDAMGNNZ-SECBINFHSA-N -1 1 376.812 0.148 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574947470 949448466 /nfs/dbraw/zinc/44/84/66/949448466.db2.gz BCCMGGKDAMGNNZ-SECBINFHSA-N -1 1 376.812 0.148 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574947815 949452732 /nfs/dbraw/zinc/45/27/32/949452732.db2.gz DMXPURHZVKMNIT-SECBINFHSA-N -1 1 376.812 0.148 20 0 GCADMM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574947815 949452740 /nfs/dbraw/zinc/45/27/40/949452740.db2.gz DMXPURHZVKMNIT-SECBINFHSA-N -1 1 376.812 0.148 20 0 GCADMM CC(C)n1nccc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574468090 949459380 /nfs/dbraw/zinc/45/93/80/949459380.db2.gz ISRLDJDRKVNUFB-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001574468838 949466371 /nfs/dbraw/zinc/46/63/71/949466371.db2.gz UANXVQSQOZGHCS-YABSGUDNSA-N -1 1 380.416 0.299 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573804331 949467797 /nfs/dbraw/zinc/46/77/97/949467797.db2.gz UPMFHUYAVYKYAW-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573804331 949467812 /nfs/dbraw/zinc/46/78/12/949467812.db2.gz UPMFHUYAVYKYAW-GFCCVEGCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)n1ncc(C(=O)N[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)c1Cl ZINC001574468576 949468192 /nfs/dbraw/zinc/46/81/92/949468192.db2.gz QDUMHPLQPPPEKD-VIFPVBQESA-N -1 1 390.839 0.740 20 0 GCADMM CC1(C(=O)N2CC[C@]3(C2)CN(c2ccnc(-c4nn[n-]n4)n2)CCO3)CCC1 ZINC001575536542 949471422 /nfs/dbraw/zinc/47/14/22/949471422.db2.gz JGSNRESVUJKFRY-GOSISDBHSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574948706 949473333 /nfs/dbraw/zinc/47/33/33/949473333.db2.gz LZYTVVCCYUYAEA-SECBINFHSA-N -1 1 392.374 0.432 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574948706 949473352 /nfs/dbraw/zinc/47/33/52/949473352.db2.gz LZYTVVCCYUYAEA-SECBINFHSA-N -1 1 392.374 0.432 20 0 GCADMM CC(C)(C)C(=O)NCc1nc(CNc2cnc(-c3nn[n-]n3)cn2)cc(=O)[nH]1 ZINC001573805939 949480880 /nfs/dbraw/zinc/48/08/80/949480880.db2.gz DVCLVVPEFNKGTO-UHFFFAOYSA-N -1 1 384.404 0.427 20 0 GCADMM CC(C)n1nccc1C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574469721 949481449 /nfs/dbraw/zinc/48/14/49/949481449.db2.gz GGRXDWVDPOZJJK-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574469721 949481458 /nfs/dbraw/zinc/48/14/58/949481458.db2.gz GGRXDWVDPOZJJK-UHFFFAOYSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574469402 949481855 /nfs/dbraw/zinc/48/18/55/949481855.db2.gz CUGXOPSKBZVACM-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574469402 949481868 /nfs/dbraw/zinc/48/18/68/949481868.db2.gz CUGXOPSKBZVACM-LBPRGKRZSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNC(=O)Cn1ncc2ccccc21)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574949200 949486872 /nfs/dbraw/zinc/48/68/72/949486872.db2.gz RQHSQMNDWVVYHY-GFCCVEGCSA-N -1 1 392.427 0.648 20 0 GCADMM C[C@H](CNC(=O)Cn1ncc2ccccc21)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574949200 949486879 /nfs/dbraw/zinc/48/68/79/949486879.db2.gz RQHSQMNDWVVYHY-GFCCVEGCSA-N -1 1 392.427 0.648 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574949379 949489368 /nfs/dbraw/zinc/48/93/68/949489368.db2.gz VGUORMHCQMQWNJ-VIFPVBQESA-N -1 1 392.374 0.432 20 0 GCADMM C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574949379 949489381 /nfs/dbraw/zinc/48/93/81/949489381.db2.gz VGUORMHCQMQWNJ-VIFPVBQESA-N -1 1 392.374 0.432 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574949378 949489411 /nfs/dbraw/zinc/48/94/11/949489411.db2.gz VGUORMHCQMQWNJ-SECBINFHSA-N -1 1 392.374 0.432 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574949378 949489425 /nfs/dbraw/zinc/48/94/25/949489425.db2.gz VGUORMHCQMQWNJ-SECBINFHSA-N -1 1 392.374 0.432 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574470070 949489590 /nfs/dbraw/zinc/48/95/90/949489590.db2.gz LSBVINCSAJDMQY-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574470070 949489604 /nfs/dbraw/zinc/48/96/04/949489604.db2.gz LSBVINCSAJDMQY-GFCCVEGCSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNC(=O)Cn1cncn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949425 949494905 /nfs/dbraw/zinc/49/49/05/949494905.db2.gz WAEQKAMRHHKQMZ-ZETCQYMHSA-N -1 1 382.841 0.433 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574118934 949495059 /nfs/dbraw/zinc/49/50/59/949495059.db2.gz GTCAUQAAJIBVLF-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574118934 949495074 /nfs/dbraw/zinc/49/50/74/949495074.db2.gz GTCAUQAAJIBVLF-LBPRGKRZSA-N -1 1 387.448 0.222 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574119190 949497813 /nfs/dbraw/zinc/49/78/13/949497813.db2.gz IYAFYPVFRVSYQW-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574119190 949497832 /nfs/dbraw/zinc/49/78/32/949497832.db2.gz IYAFYPVFRVSYQW-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574708597 949498950 /nfs/dbraw/zinc/49/89/50/949498950.db2.gz XAXOSLGVFONJDS-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574708597 949498965 /nfs/dbraw/zinc/49/89/65/949498965.db2.gz XAXOSLGVFONJDS-NXEZZACHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574949466 949501478 /nfs/dbraw/zinc/50/14/78/949501478.db2.gz XECUJQXFURNMHT-VIFPVBQESA-N -1 1 392.374 0.077 20 0 GCADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159034 949509533 /nfs/dbraw/zinc/50/95/33/949509533.db2.gz VYRCGYLPUKFXMH-PIGZYNQJSA-N -1 1 382.432 0.593 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574470750 949513459 /nfs/dbraw/zinc/51/34/59/949513459.db2.gz GCCWVSIELBBWKG-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574470750 949513474 /nfs/dbraw/zinc/51/34/74/949513474.db2.gz GCCWVSIELBBWKG-RYUDHWBXSA-N -1 1 384.448 0.843 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574470810 949514903 /nfs/dbraw/zinc/51/49/03/949514903.db2.gz USVCYXZZQDGYHI-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1nccc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574470810 949514909 /nfs/dbraw/zinc/51/49/09/949514909.db2.gz USVCYXZZQDGYHI-GFCCVEGCSA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574122010 949523517 /nfs/dbraw/zinc/52/35/17/949523517.db2.gz SWDVHGNTRBBVMO-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574122010 949523530 /nfs/dbraw/zinc/52/35/30/949523530.db2.gz SWDVHGNTRBBVMO-LLVKDONJSA-N -1 1 375.437 0.126 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574122471 949527954 /nfs/dbraw/zinc/52/79/54/949527954.db2.gz XJLOKAJDOKMJBE-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM CC(C)CC(=O)NCCC(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574122471 949527957 /nfs/dbraw/zinc/52/79/57/949527957.db2.gz XJLOKAJDOKMJBE-LBPRGKRZSA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575269136 949539536 /nfs/dbraw/zinc/53/95/36/949539536.db2.gz RIATWURRLZXJJG-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575269136 949539547 /nfs/dbraw/zinc/53/95/47/949539547.db2.gz RIATWURRLZXJJG-OLZOCXBDSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574711566 949544598 /nfs/dbraw/zinc/54/45/98/949544598.db2.gz JGGQKNZRIWRRGE-GFCCVEGCSA-N -1 1 378.440 0.752 20 0 GCADMM C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574950974 949549336 /nfs/dbraw/zinc/54/93/36/949549336.db2.gz VENULAWUMKLSGO-CHWSQXEVSA-N -1 1 382.428 0.601 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001574472363 949551952 /nfs/dbraw/zinc/55/19/52/949551952.db2.gz TWALKJQKNJPPBD-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001574472363 949551972 /nfs/dbraw/zinc/55/19/72/949551972.db2.gz TWALKJQKNJPPBD-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711711 949552318 /nfs/dbraw/zinc/55/23/18/949552318.db2.gz KRNHHQPGUAITDS-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711711 949552334 /nfs/dbraw/zinc/55/23/34/949552334.db2.gz KRNHHQPGUAITDS-NEPJUHHUSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574472357 949553940 /nfs/dbraw/zinc/55/39/40/949553940.db2.gz SZMRLVRJEQRNBZ-HSBZDZAISA-N -1 1 381.444 0.933 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CCOC1 ZINC001575539755 949558092 /nfs/dbraw/zinc/55/80/92/949558092.db2.gz SPQHTZJMDDKKNZ-QZTJIDSGSA-N -1 1 384.444 0.512 20 0 GCADMM C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CCOC1 ZINC001575539755 949558109 /nfs/dbraw/zinc/55/81/09/949558109.db2.gz SPQHTZJMDDKKNZ-QZTJIDSGSA-N -1 1 384.444 0.512 20 0 GCADMM CC1(C(=O)N2CCC[C@](CO)(Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575539739 949559472 /nfs/dbraw/zinc/55/94/72/949559472.db2.gz SIXWDWBBLWCPMT-SFHVURJKSA-N -1 1 386.460 0.424 20 0 GCADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575539733 949559797 /nfs/dbraw/zinc/55/97/97/949559797.db2.gz SHSLUIBRRQHLMP-FZKQIMNGSA-N -1 1 386.460 0.546 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711872 949560173 /nfs/dbraw/zinc/56/01/73/949560173.db2.gz NJIGLEUOPHFSME-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711872 949560187 /nfs/dbraw/zinc/56/01/87/949560187.db2.gz NJIGLEUOPHFSME-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164568 949560993 /nfs/dbraw/zinc/56/09/93/949560993.db2.gz HKWHCALRVKYIMS-ZIAGYGMSSA-N -1 1 388.476 0.934 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711871 949562283 /nfs/dbraw/zinc/56/22/83/949562283.db2.gz NJIGLEUOPHFSME-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711871 949562303 /nfs/dbraw/zinc/56/23/03/949562303.db2.gz NJIGLEUOPHFSME-RYUDHWBXSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164940 949564602 /nfs/dbraw/zinc/56/46/02/949564602.db2.gz INYUKIJRJGFHCK-JSGCOSHPSA-N -1 1 384.444 0.464 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711913 949566175 /nfs/dbraw/zinc/56/61/75/949566175.db2.gz NXFMGTRPVXABPV-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711913 949566194 /nfs/dbraw/zinc/56/61/94/949566194.db2.gz NXFMGTRPVXABPV-WCQYABFASA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574475445 949567540 /nfs/dbraw/zinc/56/75/40/949567540.db2.gz AHJVANOEZHZCFK-NEPJUHHUSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574475445 949567552 /nfs/dbraw/zinc/56/75/52/949567552.db2.gz AHJVANOEZHZCFK-NEPJUHHUSA-N -1 1 386.416 0.675 20 0 GCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576165367 949569660 /nfs/dbraw/zinc/56/96/60/949569660.db2.gz JXEROZMTZKCQOT-SYQHCUMBSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576165373 949570264 /nfs/dbraw/zinc/57/02/64/949570264.db2.gz JXEROZMTZKCQOT-XUXIUFHCSA-N -1 1 386.460 0.733 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574124682 949576813 /nfs/dbraw/zinc/57/68/13/949576813.db2.gz JIZMYZQXTLFHQJ-VXGBXAGGSA-N -1 1 387.448 0.065 20 0 GCADMM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574124682 949576834 /nfs/dbraw/zinc/57/68/34/949576834.db2.gz JIZMYZQXTLFHQJ-VXGBXAGGSA-N -1 1 387.448 0.065 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575270245 949580452 /nfs/dbraw/zinc/58/04/52/949580452.db2.gz BWBJQHCNSXNGOF-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575270245 949580463 /nfs/dbraw/zinc/58/04/63/949580463.db2.gz BWBJQHCNSXNGOF-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574475969 949581308 /nfs/dbraw/zinc/58/13/08/949581308.db2.gz DPXQRRBOKMCQBG-STQMWFEESA-N -1 1 390.492 0.772 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574476009 949582698 /nfs/dbraw/zinc/58/26/98/949582698.db2.gz FAVABENPGKZYDA-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574476009 949582713 /nfs/dbraw/zinc/58/27/13/949582713.db2.gz FAVABENPGKZYDA-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574125245 949584837 /nfs/dbraw/zinc/58/48/37/949584837.db2.gz PBZAFBIOYMZJLE-MNOVXSKESA-N -1 1 375.437 0.063 20 0 GCADMM CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574125245 949584860 /nfs/dbraw/zinc/58/48/60/949584860.db2.gz PBZAFBIOYMZJLE-MNOVXSKESA-N -1 1 375.437 0.063 20 0 GCADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166676 949589834 /nfs/dbraw/zinc/58/98/34/949589834.db2.gz NISBLUXKQZNCBJ-OCCSQVGLSA-N -1 1 384.444 0.812 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574476262 949591287 /nfs/dbraw/zinc/59/12/87/949591287.db2.gz FSTILTWYRQOSLK-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574476262 949591299 /nfs/dbraw/zinc/59/12/99/949591299.db2.gz FSTILTWYRQOSLK-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712942 949592904 /nfs/dbraw/zinc/59/29/04/949592904.db2.gz VJGWHOACFCFUQL-YPMHNXCESA-N -1 1 379.428 0.147 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574713257 949598508 /nfs/dbraw/zinc/59/85/08/949598508.db2.gz WQZYMJPGUMATMV-FZMZJTMJSA-N -1 1 380.412 0.341 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1nccnc1-c1nnn[n-]1 ZINC001574713231 949599417 /nfs/dbraw/zinc/59/94/17/949599417.db2.gz WOFXBIATAHXNIX-SMDDNHRTSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1nccnc1-c1nn[n-]n1 ZINC001574713231 949599427 /nfs/dbraw/zinc/59/94/27/949599427.db2.gz WOFXBIATAHXNIX-SMDDNHRTSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713264 949600668 /nfs/dbraw/zinc/60/06/68/949600668.db2.gz WRLRKMFBJWCXRT-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713264 949600685 /nfs/dbraw/zinc/60/06/85/949600685.db2.gz WRLRKMFBJWCXRT-AAEUAGOBSA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575546150 949607664 /nfs/dbraw/zinc/60/76/64/949607664.db2.gz PAPGSKRKQXZLCN-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575546150 949607674 /nfs/dbraw/zinc/60/76/74/949607674.db2.gz PAPGSKRKQXZLCN-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576167560 949607941 /nfs/dbraw/zinc/60/79/41/949607941.db2.gz QNBGGKCICRWSDK-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576167560 949607962 /nfs/dbraw/zinc/60/79/62/949607962.db2.gz QNBGGKCICRWSDK-UONOGXRCSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001574127404 949613937 /nfs/dbraw/zinc/61/39/37/949613937.db2.gz HCQKHAYFSJOGKZ-TZMCWYRMSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001574127404 949613946 /nfs/dbraw/zinc/61/39/46/949613946.db2.gz HCQKHAYFSJOGKZ-TZMCWYRMSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574127669 949614564 /nfs/dbraw/zinc/61/45/64/949614564.db2.gz IBRDXHHBICZOMZ-UHFFFAOYSA-N -1 1 376.465 0.962 20 0 GCADMM CC(C)CC(C)(C)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574127669 949614574 /nfs/dbraw/zinc/61/45/74/949614574.db2.gz IBRDXHHBICZOMZ-UHFFFAOYSA-N -1 1 376.465 0.962 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874733 949619434 /nfs/dbraw/zinc/61/94/34/949619434.db2.gz UKVGMXCPDFRSGX-RYUDHWBXSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874733 949619443 /nfs/dbraw/zinc/61/94/43/949619443.db2.gz UKVGMXCPDFRSGX-RYUDHWBXSA-N -1 1 390.423 0.649 20 0 GCADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574476753 949621032 /nfs/dbraw/zinc/62/10/32/949621032.db2.gz JMAFOTPFCZMHJV-CHWSQXEVSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576167980 949623719 /nfs/dbraw/zinc/62/37/19/949623719.db2.gz AXNXGRRUQPPSJG-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576167980 949623732 /nfs/dbraw/zinc/62/37/32/949623732.db2.gz AXNXGRRUQPPSJG-SMDDNHRTSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574476847 949625000 /nfs/dbraw/zinc/62/50/00/949625000.db2.gz IAYYTZDLTNXGDB-LBPRGKRZSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574476847 949625020 /nfs/dbraw/zinc/62/50/20/949625020.db2.gz IAYYTZDLTNXGDB-LBPRGKRZSA-N -1 1 386.416 0.676 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001574129193 949634804 /nfs/dbraw/zinc/63/48/04/949634804.db2.gz RZOXICZDCKJVIV-GXTWGEPZSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001574129193 949634818 /nfs/dbraw/zinc/63/48/18/949634818.db2.gz RZOXICZDCKJVIV-GXTWGEPZSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574477063 949634954 /nfs/dbraw/zinc/63/49/54/949634954.db2.gz OLTHOOIGYLVRLW-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574477063 949634965 /nfs/dbraw/zinc/63/49/65/949634965.db2.gz OLTHOOIGYLVRLW-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001574129194 949635109 /nfs/dbraw/zinc/63/51/09/949635109.db2.gz RZOXICZDCKJVIV-JSGCOSHPSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001574129194 949635116 /nfs/dbraw/zinc/63/51/16/949635116.db2.gz RZOXICZDCKJVIV-JSGCOSHPSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574477119 949637428 /nfs/dbraw/zinc/63/74/28/949637428.db2.gz ORFOVYMPAYKSDI-RKDXNWHRSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574477119 949637441 /nfs/dbraw/zinc/63/74/41/949637441.db2.gz ORFOVYMPAYKSDI-RKDXNWHRSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1cnn(C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574714870 949637753 /nfs/dbraw/zinc/63/77/53/949637753.db2.gz HCDHVSNDMMOPIT-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1cnn(C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574714870 949637760 /nfs/dbraw/zinc/63/77/60/949637760.db2.gz HCDHVSNDMMOPIT-VXGBXAGGSA-N -1 1 384.448 0.843 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574477203 949641626 /nfs/dbraw/zinc/64/16/26/949641626.db2.gz LTIPRVOGUZENMM-GFCCVEGCSA-N -1 1 386.416 0.676 20 0 GCADMM C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574477203 949641636 /nfs/dbraw/zinc/64/16/36/949641636.db2.gz LTIPRVOGUZENMM-GFCCVEGCSA-N -1 1 386.416 0.676 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573814699 949642759 /nfs/dbraw/zinc/64/27/59/949642759.db2.gz FAKRHIUNSXPQCS-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573814699 949642774 /nfs/dbraw/zinc/64/27/74/949642774.db2.gz FAKRHIUNSXPQCS-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958042 949645386 /nfs/dbraw/zinc/64/53/86/949645386.db2.gz DHYWMSFVZGBXHU-QJPTWQEYSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575876301 949645802 /nfs/dbraw/zinc/64/58/02/949645802.db2.gz JSURBOJDSALMIA-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575876301 949645815 /nfs/dbraw/zinc/64/58/15/949645815.db2.gz JSURBOJDSALMIA-STQMWFEESA-N -1 1 382.432 0.417 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876617 949646358 /nfs/dbraw/zinc/64/63/58/949646358.db2.gz JXOOHRKSWVYXNT-WCQYABFASA-N -1 1 383.416 0.751 20 0 GCADMM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876617 949646371 /nfs/dbraw/zinc/64/63/71/949646371.db2.gz JXOOHRKSWVYXNT-WCQYABFASA-N -1 1 383.416 0.751 20 0 GCADMM CC1(C(=O)N2CCOC3(CCN(c4cnc(-c5nnn[n-]5)cn4)CC3)C2)CC1 ZINC001575547882 949648620 /nfs/dbraw/zinc/64/86/20/949648620.db2.gz IZRUOKPBVCVBDC-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CCOC3(CCN(c4cnc(-c5nn[n-]n5)cn4)CC3)C2)CC1 ZINC001575547882 949648632 /nfs/dbraw/zinc/64/86/32/949648632.db2.gz IZRUOKPBVCVBDC-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574477252 949648659 /nfs/dbraw/zinc/64/86/59/949648659.db2.gz PKHCCKXMHYKFRH-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574477252 949648675 /nfs/dbraw/zinc/64/86/75/949648675.db2.gz PKHCCKXMHYKFRH-CYBMUJFWSA-N -1 1 384.448 0.789 20 0 GCADMM C[C@@H](CN(C)C(=O)CCCC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574715395 949650412 /nfs/dbraw/zinc/65/04/12/949650412.db2.gz BTOZFPRNFWDNSY-ZETCQYMHSA-N -1 1 386.869 0.891 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575547988 949653144 /nfs/dbraw/zinc/65/31/44/949653144.db2.gz LKTIAQKKEUWLMS-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM C[C@@]1(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575547988 949653157 /nfs/dbraw/zinc/65/31/57/949653157.db2.gz LKTIAQKKEUWLMS-SJKOYZFVSA-N -1 1 388.432 0.113 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCn1ccnc1 ZINC001573815254 949653486 /nfs/dbraw/zinc/65/34/86/949653486.db2.gz HMOOGZRUFDPAGN-GFCCVEGCSA-N -1 1 384.448 0.308 20 0 GCADMM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877173 949656411 /nfs/dbraw/zinc/65/64/11/949656411.db2.gz KZCDYESQTMFOMB-UWVGGRQHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877173 949656425 /nfs/dbraw/zinc/65/64/25/949656425.db2.gz KZCDYESQTMFOMB-UWVGGRQHSA-N -1 1 382.375 0.412 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574958246 949662473 /nfs/dbraw/zinc/66/24/73/949662473.db2.gz HOTDBRONDIHICJ-QJPTWQEYSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574958246 949662485 /nfs/dbraw/zinc/66/24/85/949662485.db2.gz HOTDBRONDIHICJ-QJPTWQEYSA-N -1 1 382.432 0.135 20 0 GCADMM C[C@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574477619 949666069 /nfs/dbraw/zinc/66/60/69/949666069.db2.gz SOWJBOGIQWDLIX-SECBINFHSA-N -1 1 378.462 0.018 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1cn[nH]c1 ZINC001573815934 949666443 /nfs/dbraw/zinc/66/64/43/949666443.db2.gz MDWUMNFUABNZGT-CYBMUJFWSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1cn[nH]c1 ZINC001573815934 949666459 /nfs/dbraw/zinc/66/64/59/949666459.db2.gz MDWUMNFUABNZGT-CYBMUJFWSA-N -1 1 384.448 0.955 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169125 949667542 /nfs/dbraw/zinc/66/75/42/949667542.db2.gz FNHYEPQDHXHORX-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169125 949667550 /nfs/dbraw/zinc/66/75/50/949667550.db2.gz FNHYEPQDHXHORX-BXUZGUMPSA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169280 949672039 /nfs/dbraw/zinc/67/20/39/949672039.db2.gz GEJCIHXKHSFBIB-PDWCTOEPSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169280 949672053 /nfs/dbraw/zinc/67/20/53/949672053.db2.gz GEJCIHXKHSFBIB-PDWCTOEPSA-N -1 1 384.444 0.588 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169265 949672511 /nfs/dbraw/zinc/67/25/11/949672511.db2.gz GBVPKYMSNFDNID-JQWIXIFHSA-N -1 1 383.420 0.057 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CO[C@@H]1CCOC1 ZINC001573816319 949674023 /nfs/dbraw/zinc/67/40/23/949674023.db2.gz QEZLJUFQCNJJMO-YPMHNXCESA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CO[C@@H]1CCOC1 ZINC001573816319 949674038 /nfs/dbraw/zinc/67/40/38/949674038.db2.gz QEZLJUFQCNJJMO-YPMHNXCESA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1COCCO1 ZINC001573816376 949680226 /nfs/dbraw/zinc/68/02/26/949680226.db2.gz RQEGJFBJKUTXBV-NEPJUHHUSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1COCCO1 ZINC001573816376 949680236 /nfs/dbraw/zinc/68/02/36/949680236.db2.gz RQEGJFBJKUTXBV-NEPJUHHUSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573816731 949683286 /nfs/dbraw/zinc/68/32/86/949683286.db2.gz UYFMFEQZKQBLQU-XIKOKIGWSA-N -1 1 388.476 0.573 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169558 949684307 /nfs/dbraw/zinc/68/43/07/949684307.db2.gz HEYMNKSWDUGYOK-QWHCGFSZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169558 949684329 /nfs/dbraw/zinc/68/43/29/949684329.db2.gz HEYMNKSWDUGYOK-QWHCGFSZSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574477911 949684443 /nfs/dbraw/zinc/68/44/43/949684443.db2.gz WHQVYHQAQBNBKN-DTWKUNHWSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574477911 949684460 /nfs/dbraw/zinc/68/44/60/949684460.db2.gz WHQVYHQAQBNBKN-DTWKUNHWSA-N -1 1 388.354 0.476 20 0 GCADMM C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574958677 949686142 /nfs/dbraw/zinc/68/61/42/949686142.db2.gz VENULAWUMKLSGO-STQMWFEESA-N -1 1 382.428 0.601 20 0 GCADMM CC(C)CC(C)(C)C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574132281 949690838 /nfs/dbraw/zinc/69/08/38/949690838.db2.gz UTEQTPUDSACXPR-GOSISDBHSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)CCCOC1 ZINC001575554271 949692151 /nfs/dbraw/zinc/69/21/51/949692151.db2.gz QHBRBCBYOABMBE-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)CCCOC1 ZINC001575554271 949692168 /nfs/dbraw/zinc/69/21/68/949692168.db2.gz QHBRBCBYOABMBE-FHSNZYRGSA-N -1 1 384.444 0.368 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCCC(N)=O ZINC001573817214 949698579 /nfs/dbraw/zinc/69/85/79/949698579.db2.gz YTXHYWJSTPPJNA-LLVKDONJSA-N -1 1 375.437 0.255 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCCC(N)=O ZINC001573817214 949698592 /nfs/dbraw/zinc/69/85/92/949698592.db2.gz YTXHYWJSTPPJNA-LLVKDONJSA-N -1 1 375.437 0.255 20 0 GCADMM C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880585 949703334 /nfs/dbraw/zinc/70/33/34/949703334.db2.gz UPFBCHZWORQXDF-VHSXEESVSA-N -1 1 382.375 0.412 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573817705 949705202 /nfs/dbraw/zinc/70/52/02/949705202.db2.gz AJKUCVDWKYWIIE-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573817705 949705223 /nfs/dbraw/zinc/70/52/23/949705223.db2.gz AJKUCVDWKYWIIE-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574478510 949713781 /nfs/dbraw/zinc/71/37/81/949713781.db2.gz ZVONKCZZKOQGLM-STQMWFEESA-N -1 1 385.432 0.341 20 0 GCADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574478510 949713804 /nfs/dbraw/zinc/71/38/04/949713804.db2.gz ZVONKCZZKOQGLM-STQMWFEESA-N -1 1 385.432 0.341 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573818041 949714453 /nfs/dbraw/zinc/71/44/53/949714453.db2.gz FIBKNOOMKAUSMZ-PWSUYJOCSA-N -1 1 388.432 0.553 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574959444 949714568 /nfs/dbraw/zinc/71/45/68/949714568.db2.gz SIAWQZVUDIAKSU-KWCYVHTRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574959444 949714584 /nfs/dbraw/zinc/71/45/84/949714584.db2.gz SIAWQZVUDIAKSU-KWCYVHTRSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573818041 949714465 /nfs/dbraw/zinc/71/44/65/949714465.db2.gz FIBKNOOMKAUSMZ-PWSUYJOCSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573818234 949725204 /nfs/dbraw/zinc/72/52/04/949725204.db2.gz IRWVFBPGBGGDTA-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573818234 949725233 /nfs/dbraw/zinc/72/52/33/949725233.db2.gz IRWVFBPGBGGDTA-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573818288 949726492 /nfs/dbraw/zinc/72/64/92/949726492.db2.gz JYCQFQORRPVCNM-NSHDSACASA-N -1 1 383.416 0.436 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573818287 949726747 /nfs/dbraw/zinc/72/67/47/949726747.db2.gz JYCQFQORRPVCNM-LLVKDONJSA-N -1 1 383.416 0.436 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001573818239 949728115 /nfs/dbraw/zinc/72/81/15/949728115.db2.gz ITTCKHGKQLGKCJ-SECBINFHSA-N -1 1 389.445 0.497 20 0 GCADMM C[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cccc(F)c1F ZINC001575276845 949729147 /nfs/dbraw/zinc/72/91/47/949729147.db2.gz MBRWCTLSMUUFBV-QMMMGPOBSA-N -1 1 391.338 0.675 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573818459 949729661 /nfs/dbraw/zinc/72/96/61/949729661.db2.gz LUULPLJDBDHXJM-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573818459 949729681 /nfs/dbraw/zinc/72/96/81/949729681.db2.gz LUULPLJDBDHXJM-CMPLNLGQSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cccn1 ZINC001573818457 949732257 /nfs/dbraw/zinc/73/22/57/949732257.db2.gz LUKITONBTIYKGO-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cccn1 ZINC001573818457 949732275 /nfs/dbraw/zinc/73/22/75/949732275.db2.gz LUKITONBTIYKGO-CYBMUJFWSA-N -1 1 384.448 0.886 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573818516 949736833 /nfs/dbraw/zinc/73/68/33/949736833.db2.gz MZAKPUSDLUMKPW-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573818516 949736849 /nfs/dbraw/zinc/73/68/49/949736849.db2.gz MZAKPUSDLUMKPW-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnn1 ZINC001573818668 949742724 /nfs/dbraw/zinc/74/27/24/949742724.db2.gz NUQUXEPTXDASHG-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnn1 ZINC001573818668 949742737 /nfs/dbraw/zinc/74/27/37/949742737.db2.gz NUQUXEPTXDASHG-LBPRGKRZSA-N -1 1 385.436 0.281 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)CCOC1 ZINC001575558545 949743484 /nfs/dbraw/zinc/74/34/84/949743484.db2.gz QQWUPSKAFUNGPD-PJSAGSTRSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@]1(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)CCOC1 ZINC001575558545 949743507 /nfs/dbraw/zinc/74/35/07/949743507.db2.gz QQWUPSKAFUNGPD-PJSAGSTRSA-N -1 1 384.444 0.368 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575277284 949744793 /nfs/dbraw/zinc/74/47/93/949744793.db2.gz PSZLAWTVHNJUTO-MNOVXSKESA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575277284 949744804 /nfs/dbraw/zinc/74/48/04/949744804.db2.gz PSZLAWTVHNJUTO-MNOVXSKESA-N -1 1 383.416 0.695 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001573818744 949745728 /nfs/dbraw/zinc/74/57/28/949745728.db2.gz PJBJFGIQIRCCDU-NWDGAFQWSA-N -1 1 376.421 0.015 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001573818744 949745746 /nfs/dbraw/zinc/74/57/46/949745746.db2.gz PJBJFGIQIRCCDU-NWDGAFQWSA-N -1 1 376.421 0.015 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574717838 949746194 /nfs/dbraw/zinc/74/61/94/949746194.db2.gz QRTXGBRILICTQS-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574717838 949746212 /nfs/dbraw/zinc/74/62/12/949746212.db2.gz QRTXGBRILICTQS-LLVKDONJSA-N -1 1 375.437 0.174 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COCC(F)F ZINC001573818951 949746796 /nfs/dbraw/zinc/74/67/96/949746796.db2.gz PMCRLBMTKHEMBK-JTQLQIEISA-N -1 1 384.391 0.881 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COCC(F)F ZINC001573818951 949746811 /nfs/dbraw/zinc/74/68/11/949746811.db2.gz PMCRLBMTKHEMBK-JTQLQIEISA-N -1 1 384.391 0.881 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881994 949747801 /nfs/dbraw/zinc/74/78/01/949747801.db2.gz FBJYJJRWUYTKIF-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881994 949747821 /nfs/dbraw/zinc/74/78/21/949747821.db2.gz FBJYJJRWUYTKIF-WCQYABFASA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881995 949748880 /nfs/dbraw/zinc/74/88/80/949748880.db2.gz FBJYJJRWUYTKIF-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881995 949748899 /nfs/dbraw/zinc/74/88/99/949748899.db2.gz FBJYJJRWUYTKIF-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573819287 949750617 /nfs/dbraw/zinc/75/06/17/949750617.db2.gz SKKUIZXNOFDCFJ-CMPLNLGQSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573819287 949750635 /nfs/dbraw/zinc/75/06/35/949750635.db2.gz SKKUIZXNOFDCFJ-CMPLNLGQSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573819747 949753116 /nfs/dbraw/zinc/75/31/16/949753116.db2.gz UNIGUJCJQFRKFR-LLVKDONJSA-N -1 1 383.416 0.436 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171151 949753385 /nfs/dbraw/zinc/75/33/85/949753385.db2.gz PFGHCDRLPZRKMQ-OLZOCXBDSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171151 949753395 /nfs/dbraw/zinc/75/33/95/949753395.db2.gz PFGHCDRLPZRKMQ-OLZOCXBDSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H](CC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574480510 949755097 /nfs/dbraw/zinc/75/50/97/949755097.db2.gz JHYQIEVTCHTPIF-SGTLLEGYSA-N -1 1 386.460 0.280 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001573819738 949755149 /nfs/dbraw/zinc/75/51/49/949755149.db2.gz UMLSDRBAZZYZTM-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001573819738 949755161 /nfs/dbraw/zinc/75/51/61/949755161.db2.gz UMLSDRBAZZYZTM-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573819834 949758484 /nfs/dbraw/zinc/75/84/84/949758484.db2.gz WCRNYNNFWGCTDP-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573819834 949758506 /nfs/dbraw/zinc/75/85/06/949758506.db2.gz WCRNYNNFWGCTDP-JQWIXIFHSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@]1(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[n-]n4)n2)C3)CCOC1 ZINC001575559750 949768523 /nfs/dbraw/zinc/76/85/23/949768523.db2.gz FUBQULWAJMRELF-BCFKKSPQSA-N -1 1 384.444 0.345 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H](C)c1ccccc1 ZINC001575278796 949769285 /nfs/dbraw/zinc/76/92/85/949769285.db2.gz VNOYUTMYTVXGLZ-VXGBXAGGSA-N -1 1 383.412 0.828 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1cn[nH]c1 ZINC001573821420 949771743 /nfs/dbraw/zinc/77/17/43/949771743.db2.gz BRSFMHHPEFVFCX-GFCCVEGCSA-N -1 1 384.448 0.955 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1cn[nH]c1 ZINC001573821420 949771767 /nfs/dbraw/zinc/77/17/67/949771767.db2.gz BRSFMHHPEFVFCX-GFCCVEGCSA-N -1 1 384.448 0.955 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574481424 949778324 /nfs/dbraw/zinc/77/83/24/949778324.db2.gz PMZMXPSVNQHKFI-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574481424 949778339 /nfs/dbraw/zinc/77/83/39/949778339.db2.gz PMZMXPSVNQHKFI-QWHCGFSZSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576171810 949779725 /nfs/dbraw/zinc/77/97/25/949779725.db2.gz SRBRVRKJJBUJII-PWSUYJOCSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576171810 949779734 /nfs/dbraw/zinc/77/97/34/949779734.db2.gz SRBRVRKJJBUJII-PWSUYJOCSA-N -1 1 383.420 0.518 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575279276 949780044 /nfs/dbraw/zinc/78/00/44/949780044.db2.gz YBLXTPWKHJFHKU-GHMZBOCLSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575279276 949780055 /nfs/dbraw/zinc/78/00/55/949780055.db2.gz YBLXTPWKHJFHKU-GHMZBOCLSA-N -1 1 383.416 0.695 20 0 GCADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171796 949780292 /nfs/dbraw/zinc/78/02/92/949780292.db2.gz SLINXXXZEACZLB-GXTWGEPZSA-N -1 1 382.428 0.953 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574481422 949780652 /nfs/dbraw/zinc/78/06/52/949780652.db2.gz PMZMXPSVNQHKFI-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574481422 949780659 /nfs/dbraw/zinc/78/06/59/949780659.db2.gz PMZMXPSVNQHKFI-CHWSQXEVSA-N -1 1 382.432 0.765 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574138075 949782111 /nfs/dbraw/zinc/78/21/11/949782111.db2.gz ZVQMEINUVKABKU-CHWSQXEVSA-N -1 1 376.465 0.960 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574138075 949782128 /nfs/dbraw/zinc/78/21/28/949782128.db2.gz ZVQMEINUVKABKU-CHWSQXEVSA-N -1 1 376.465 0.960 20 0 GCADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574481491 949784090 /nfs/dbraw/zinc/78/40/90/949784090.db2.gz QMDCQJDEMQYGER-OLZOCXBDSA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575279760 949787618 /nfs/dbraw/zinc/78/76/18/949787618.db2.gz ZOJSTKHUWYLIGS-VHSXEESVSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575279760 949787636 /nfs/dbraw/zinc/78/76/36/949787636.db2.gz ZOJSTKHUWYLIGS-VHSXEESVSA-N -1 1 390.839 0.902 20 0 GCADMM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574964648 949788275 /nfs/dbraw/zinc/78/82/75/949788275.db2.gz ZEPGSGRGSCGEIZ-RNFRBKRXSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@@]1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575560496 949788380 /nfs/dbraw/zinc/78/83/80/949788380.db2.gz QOVNLCZGHVMBHQ-MRXNPFEDSA-N -1 1 392.485 0.408 20 0 GCADMM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574964878 949789501 /nfs/dbraw/zinc/78/95/01/949789501.db2.gz BDVRDEQXUBJCDG-IYQDAUBNSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574964878 949789517 /nfs/dbraw/zinc/78/95/17/949789517.db2.gz BDVRDEQXUBJCDG-IYQDAUBNSA-N -1 1 384.853 0.562 20 0 GCADMM C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720471 949791216 /nfs/dbraw/zinc/79/12/16/949791216.db2.gz ADBGCTPJMZKALS-NSHDSACASA-N -1 1 383.416 0.071 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718589 949792674 /nfs/dbraw/zinc/79/26/74/949792674.db2.gz ZSTOGKDQZYCZQV-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718589 949792691 /nfs/dbraw/zinc/79/26/91/949792691.db2.gz ZSTOGKDQZYCZQV-APPDUMDISA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574481691 949794940 /nfs/dbraw/zinc/79/49/40/949794940.db2.gz TZPQVJARNOACNC-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574481691 949794957 /nfs/dbraw/zinc/79/49/57/949794957.db2.gz TZPQVJARNOACNC-STQMWFEESA-N -1 1 382.432 0.542 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573822568 949796572 /nfs/dbraw/zinc/79/65/72/949796572.db2.gz JUDCNFLOQMBCLP-WDEREUQCSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573822568 949796582 /nfs/dbraw/zinc/79/65/82/949796582.db2.gz JUDCNFLOQMBCLP-WDEREUQCSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882883 949797061 /nfs/dbraw/zinc/79/70/61/949797061.db2.gz ORYXXQCOHCFBIY-CMPLNLGQSA-N -1 1 385.457 0.829 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574965336 949798616 /nfs/dbraw/zinc/79/86/16/949798616.db2.gz FUSYGLLWYLDJMD-QYNIQEEDSA-N -1 1 384.853 0.262 20 0 GCADMM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574965336 949798629 /nfs/dbraw/zinc/79/86/29/949798629.db2.gz FUSYGLLWYLDJMD-QYNIQEEDSA-N -1 1 384.853 0.262 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574965483 949801277 /nfs/dbraw/zinc/80/12/77/949801277.db2.gz GKVCUHLSOKEAIX-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1c(Cl)cnn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574965483 949801308 /nfs/dbraw/zinc/80/13/08/949801308.db2.gz GKVCUHLSOKEAIX-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574965665 949806019 /nfs/dbraw/zinc/80/60/19/949806019.db2.gz ITZHRUJSXOKLIE-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574965665 949806043 /nfs/dbraw/zinc/80/60/43/949806043.db2.gz ITZHRUJSXOKLIE-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc[n+]([O-])cc1 ZINC001573822945 949807094 /nfs/dbraw/zinc/80/70/94/949807094.db2.gz NZBSJMTVVOPBCK-CYBMUJFWSA-N -1 1 383.416 0.547 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc[n+]([O-])cc1 ZINC001573822945 949807115 /nfs/dbraw/zinc/80/71/15/949807115.db2.gz NZBSJMTVVOPBCK-CYBMUJFWSA-N -1 1 383.416 0.547 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574965733 949811549 /nfs/dbraw/zinc/81/15/49/949811549.db2.gz KKNATBLSXNKADN-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574965733 949811569 /nfs/dbraw/zinc/81/15/69/949811569.db2.gz KKNATBLSXNKADN-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc[nH]c1=O ZINC001573823177 949812242 /nfs/dbraw/zinc/81/22/42/949812242.db2.gz QPZSSIGRTSWPRR-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc[nH]c1=O ZINC001573823177 949812261 /nfs/dbraw/zinc/81/22/61/949812261.db2.gz QPZSSIGRTSWPRR-LLVKDONJSA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnc[nH]c1=O ZINC001573823178 949813288 /nfs/dbraw/zinc/81/32/88/949813288.db2.gz QPZSSIGRTSWPRR-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnc[nH]c1=O ZINC001573823178 949813313 /nfs/dbraw/zinc/81/33/13/949813313.db2.gz QPZSSIGRTSWPRR-NSHDSACASA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575281573 949813692 /nfs/dbraw/zinc/81/36/92/949813692.db2.gz HFFKIMQOCUNUIA-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575281573 949813715 /nfs/dbraw/zinc/81/37/15/949813715.db2.gz HFFKIMQOCUNUIA-NEPJUHHUSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H]1CCCC[C@@H]1CNC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576172701 949814700 /nfs/dbraw/zinc/81/47/00/949814700.db2.gz VLYQNXXUWLJUKD-WDEREUQCSA-N -1 1 388.432 0.522 20 0 GCADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575561896 949815795 /nfs/dbraw/zinc/81/57/95/949815795.db2.gz DKJJBAJNRNLNFE-OLZOCXBDSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@@H]1CCCC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001576172699 949817475 /nfs/dbraw/zinc/81/74/75/949817475.db2.gz VLYQNXXUWLJUKD-MNOVXSKESA-N -1 1 388.432 0.522 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574139568 949819998 /nfs/dbraw/zinc/81/99/98/949819998.db2.gz KQXWDAPJRUWADI-FZKQIMNGSA-N -1 1 388.476 0.786 20 0 GCADMM CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574139568 949820017 /nfs/dbraw/zinc/82/00/17/949820017.db2.gz KQXWDAPJRUWADI-FZKQIMNGSA-N -1 1 388.476 0.786 20 0 GCADMM C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574721825 949824433 /nfs/dbraw/zinc/82/44/33/949824433.db2.gz OJSOZSAAWFRCQG-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574721825 949824454 /nfs/dbraw/zinc/82/44/54/949824454.db2.gz OJSOZSAAWFRCQG-LLVKDONJSA-N -1 1 383.416 0.649 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccncc1 ZINC001574483515 949827587 /nfs/dbraw/zinc/82/75/87/949827587.db2.gz BEOQTUCHZCCJED-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccncc1 ZINC001574483515 949827606 /nfs/dbraw/zinc/82/76/06/949827606.db2.gz BEOQTUCHZCCJED-CYBMUJFWSA-N -1 1 379.428 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574966073 949831625 /nfs/dbraw/zinc/83/16/25/949831625.db2.gz TVCUYFODFHKCIZ-SNVBAGLBSA-N -1 1 384.448 0.577 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574966278 949838548 /nfs/dbraw/zinc/83/85/48/949838548.db2.gz WDWSUZVPPQWSKN-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1c(Cl)cnn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574966278 949838567 /nfs/dbraw/zinc/83/85/67/949838567.db2.gz WDWSUZVPPQWSKN-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884235 949841363 /nfs/dbraw/zinc/84/13/63/949841363.db2.gz HRIQQFGQWDRJJZ-KOLCDFICSA-N -1 1 382.384 0.328 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574966303 949842614 /nfs/dbraw/zinc/84/26/14/949842614.db2.gz WUNWWEOAIRJGPZ-JTQLQIEISA-N -1 1 382.432 0.310 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574966432 949850932 /nfs/dbraw/zinc/85/09/32/949850932.db2.gz YSNOZSAMMBRUFH-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574966432 949850957 /nfs/dbraw/zinc/85/09/57/949850957.db2.gz YSNOZSAMMBRUFH-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3ccc(-c4nnn[n-]4)nn3)(C1)C2 ZINC001573824391 949851279 /nfs/dbraw/zinc/85/12/79/949851279.db2.gz DVTNSTDZWDVUFT-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3ccc(-c4nn[n-]n4)nn3)(C1)C2 ZINC001573824391 949851303 /nfs/dbraw/zinc/85/13/03/949851303.db2.gz DVTNSTDZWDVUFT-NVWNAPEYSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574967012 949860410 /nfs/dbraw/zinc/86/04/10/949860410.db2.gz DKVQWWYHBSKEHB-SNVBAGLBSA-N -1 1 382.432 0.357 20 0 GCADMM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574967012 949860433 /nfs/dbraw/zinc/86/04/33/949860433.db2.gz DKVQWWYHBSKEHB-SNVBAGLBSA-N -1 1 382.432 0.357 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574967078 949864439 /nfs/dbraw/zinc/86/44/39/949864439.db2.gz FBWUZPOCCCWKNT-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574967078 949864461 /nfs/dbraw/zinc/86/44/61/949864461.db2.gz FBWUZPOCCCWKNT-QMMMGPOBSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574967076 949867702 /nfs/dbraw/zinc/86/77/02/949867702.db2.gz FBWUZPOCCCWKNT-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@@H](CNC(=O)c1c(F)cncc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574967076 949867719 /nfs/dbraw/zinc/86/77/19/949867719.db2.gz FBWUZPOCCCWKNT-MRVPVSSYSA-N -1 1 375.343 0.808 20 0 GCADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1ccnc1 ZINC001574484211 949869967 /nfs/dbraw/zinc/86/99/67/949869967.db2.gz FNKCAFITPRRWIV-CYBMUJFWSA-N -1 1 382.432 0.543 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574724586 949871179 /nfs/dbraw/zinc/87/11/79/949871179.db2.gz HWHXBLHPKUBOQH-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574724586 949871200 /nfs/dbraw/zinc/87/12/00/949871200.db2.gz HWHXBLHPKUBOQH-LBPRGKRZSA-N -1 1 383.416 0.168 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178000 949871274 /nfs/dbraw/zinc/87/12/74/949871274.db2.gz AITMVEFHYBWSNW-WCQYABFASA-N -1 1 380.416 0.221 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575565298 949875008 /nfs/dbraw/zinc/87/50/08/949875008.db2.gz VNQBWNURIHELGD-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575565298 949875036 /nfs/dbraw/zinc/87/50/36/949875036.db2.gz VNQBWNURIHELGD-UGSOOPFHSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575886322 949879675 /nfs/dbraw/zinc/87/96/75/949879675.db2.gz XVJRDQWDJXNPHA-YPMHNXCESA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283678 949881845 /nfs/dbraw/zinc/88/18/45/949881845.db2.gz GQTRQHHKNYNTHR-VXGBXAGGSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283678 949881872 /nfs/dbraw/zinc/88/18/72/949881872.db2.gz GQTRQHHKNYNTHR-VXGBXAGGSA-N -1 1 383.416 0.214 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178198 949882088 /nfs/dbraw/zinc/88/20/88/949882088.db2.gz GEWDHEWROWNBHQ-ONGXEEELSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178198 949882110 /nfs/dbraw/zinc/88/21/10/949882110.db2.gz GEWDHEWROWNBHQ-ONGXEEELSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576178466 949888580 /nfs/dbraw/zinc/88/85/80/949888580.db2.gz BPPBJNHIRXNYOO-WCQYABFASA-N -1 1 382.432 0.165 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576178500 949890897 /nfs/dbraw/zinc/89/08/97/949890897.db2.gz BVFXFGOIQOQKAK-CMPLNLGQSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576178500 949890922 /nfs/dbraw/zinc/89/09/22/949890922.db2.gz BVFXFGOIQOQKAK-CMPLNLGQSA-N -1 1 384.404 0.783 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178520 949891331 /nfs/dbraw/zinc/89/13/31/949891331.db2.gz BWOFRHYHXBVJLV-SKDRFNHKSA-N -1 1 386.445 0.861 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178520 949891354 /nfs/dbraw/zinc/89/13/54/949891354.db2.gz BWOFRHYHXBVJLV-SKDRFNHKSA-N -1 1 386.445 0.861 20 0 GCADMM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573826034 949902411 /nfs/dbraw/zinc/90/24/11/949902411.db2.gz FISCNLRJJWDRSX-NWDGAFQWSA-N -1 1 375.433 0.850 20 0 GCADMM C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575284243 949903386 /nfs/dbraw/zinc/90/33/86/949903386.db2.gz SUKNHIQSVGYDHN-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575284243 949903403 /nfs/dbraw/zinc/90/34/03/949903403.db2.gz SUKNHIQSVGYDHN-RYUDHWBXSA-N -1 1 383.416 0.574 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001574484827 949904662 /nfs/dbraw/zinc/90/46/62/949904662.db2.gz PEXIJVXJADBJAT-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574484827 949904686 /nfs/dbraw/zinc/90/46/86/949904686.db2.gz PEXIJVXJADBJAT-CHWSQXEVSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574968703 949907049 /nfs/dbraw/zinc/90/70/49/949907049.db2.gz RRFUSZIAXMGIRA-MRVPVSSYSA-N -1 1 375.343 0.585 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575284602 949910351 /nfs/dbraw/zinc/91/03/51/949910351.db2.gz KAHOQDMRACOUDU-NEPJUHHUSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575284602 949910369 /nfs/dbraw/zinc/91/03/69/949910369.db2.gz KAHOQDMRACOUDU-NEPJUHHUSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575284833 949922609 /nfs/dbraw/zinc/92/26/09/949922609.db2.gz WWLBPJXUPAYWPE-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575284833 949922626 /nfs/dbraw/zinc/92/26/26/949922626.db2.gz WWLBPJXUPAYWPE-JSGCOSHPSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180044 949936101 /nfs/dbraw/zinc/93/61/01/949936101.db2.gz GTDMFPQHUPQRFQ-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180044 949936123 /nfs/dbraw/zinc/93/61/23/949936123.db2.gz GTDMFPQHUPQRFQ-PWSUYJOCSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575889799 949936334 /nfs/dbraw/zinc/93/63/34/949936334.db2.gz TYPGLKIQQSHSGF-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575889799 949936355 /nfs/dbraw/zinc/93/63/55/949936355.db2.gz TYPGLKIQQSHSGF-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574146267 949939535 /nfs/dbraw/zinc/93/95/35/949939535.db2.gz XCMDICPYTIIKPH-MCIONIFRSA-N -1 1 388.476 0.979 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001576180086 949939963 /nfs/dbraw/zinc/93/99/63/949939963.db2.gz HHYSKCDZUTUQLD-CABZTGNLSA-N -1 1 386.420 0.049 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001574488439 949945566 /nfs/dbraw/zinc/94/55/66/949945566.db2.gz GFIRDWURIORLAT-IHRRRGAJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574488439 949945593 /nfs/dbraw/zinc/94/55/93/949945593.db2.gz GFIRDWURIORLAT-IHRRRGAJSA-N -1 1 379.428 0.899 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575890395 949953349 /nfs/dbraw/zinc/95/33/49/949953349.db2.gz XGKPTCVKSKMDDV-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575890395 949953369 /nfs/dbraw/zinc/95/33/69/949953369.db2.gz XGKPTCVKSKMDDV-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)CCCCC1 ZINC001575571243 949953494 /nfs/dbraw/zinc/95/34/94/949953494.db2.gz ZDUVWTLHCFUWOE-TZMCWYRMSA-N -1 1 386.460 0.683 20 0 GCADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)CCCCC1 ZINC001575571243 949953520 /nfs/dbraw/zinc/95/35/20/949953520.db2.gz ZDUVWTLHCFUWOE-TZMCWYRMSA-N -1 1 386.460 0.683 20 0 GCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575285640 949953685 /nfs/dbraw/zinc/95/36/85/949953685.db2.gz PLVIFPXQDQQUQT-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575285640 949953698 /nfs/dbraw/zinc/95/36/98/949953698.db2.gz PLVIFPXQDQQUQT-ZJUUUORDSA-N -1 1 375.437 0.124 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574488933 949956488 /nfs/dbraw/zinc/95/64/88/949956488.db2.gz HGLQXCHCCAACHH-YRGRVCCFSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574488933 949956512 /nfs/dbraw/zinc/95/65/12/949956512.db2.gz HGLQXCHCCAACHH-YRGRVCCFSA-N -1 1 382.432 0.763 20 0 GCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575285776 949957568 /nfs/dbraw/zinc/95/75/68/949957568.db2.gz QONDPFKGFCQLLU-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575285776 949957580 /nfs/dbraw/zinc/95/75/80/949957580.db2.gz QONDPFKGFCQLLU-MNOVXSKESA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575285778 949958715 /nfs/dbraw/zinc/95/87/15/949958715.db2.gz QONDPFKGFCQLLU-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575285778 949958732 /nfs/dbraw/zinc/95/87/32/949958732.db2.gz QONDPFKGFCQLLU-QWRGUYRKSA-N -1 1 389.464 0.514 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180528 949960637 /nfs/dbraw/zinc/96/06/37/949960637.db2.gz DYDJTRPGOYXWIV-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180528 949960656 /nfs/dbraw/zinc/96/06/56/949960656.db2.gz DYDJTRPGOYXWIV-TZMCWYRMSA-N -1 1 386.460 0.980 20 0 GCADMM C[C@]1(C(=O)NC[C@H](CO)Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCOC1 ZINC001575571953 949962273 /nfs/dbraw/zinc/96/22/73/949962273.db2.gz BQFOSWJXBGFOGK-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@]1(C(=O)NC[C@H](CO)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCOC1 ZINC001575571953 949962292 /nfs/dbraw/zinc/96/22/92/949962292.db2.gz BQFOSWJXBGFOGK-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM CC(C)(C)CC(=O)N1CCC(N(CCO)c2nccnc2-c2nnn[n-]2)CC1 ZINC001573829967 949963694 /nfs/dbraw/zinc/96/36/94/949963694.db2.gz FYRBLEYSZOBKOL-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC(N(CCO)c2nccnc2-c2nn[n-]n2)CC1 ZINC001573829967 949963717 /nfs/dbraw/zinc/96/37/17/949963717.db2.gz FYRBLEYSZOBKOL-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180594 949964374 /nfs/dbraw/zinc/96/43/74/949964374.db2.gz PCVQOWWEYWLRDK-RYUDHWBXSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180594 949964390 /nfs/dbraw/zinc/96/43/90/949964390.db2.gz PCVQOWWEYWLRDK-RYUDHWBXSA-N -1 1 380.416 0.800 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001573829973 949964500 /nfs/dbraw/zinc/96/45/00/949964500.db2.gz GFFBLKKMHVICGW-ZDUSSCGKSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001573829973 949964514 /nfs/dbraw/zinc/96/45/14/949964514.db2.gz GFFBLKKMHVICGW-ZDUSSCGKSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727434 949965174 /nfs/dbraw/zinc/96/51/74/949965174.db2.gz SRYPSRQIXVKFMH-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727434 949965197 /nfs/dbraw/zinc/96/51/97/949965197.db2.gz SRYPSRQIXVKFMH-GFCCVEGCSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576180672 949969363 /nfs/dbraw/zinc/96/93/63/949969363.db2.gz QDJZZRAZSCRISW-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576180672 949969375 /nfs/dbraw/zinc/96/93/75/949969375.db2.gz QDJZZRAZSCRISW-QWRGUYRKSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576180671 949970395 /nfs/dbraw/zinc/97/03/95/949970395.db2.gz QDJZZRAZSCRISW-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576180671 949970412 /nfs/dbraw/zinc/97/04/12/949970412.db2.gz QDJZZRAZSCRISW-MNOVXSKESA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574727588 949970940 /nfs/dbraw/zinc/97/09/40/949970940.db2.gz VTRLERYYKQCKLI-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574727588 949970964 /nfs/dbraw/zinc/97/09/64/949970964.db2.gz VTRLERYYKQCKLI-VXGBXAGGSA-N -1 1 376.421 0.111 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573830013 949971852 /nfs/dbraw/zinc/97/18/52/949971852.db2.gz HHVHASGTUDUQRT-ZDUSSCGKSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@]1(C(=O)NC[C@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC001575572358 949972622 /nfs/dbraw/zinc/97/26/22/949972622.db2.gz GMNAOTJFJGDMIM-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@]1(C(=O)NC[C@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC001575572358 949972644 /nfs/dbraw/zinc/97/26/44/949972644.db2.gz GMNAOTJFJGDMIM-UHLUBPPHSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180884 949974991 /nfs/dbraw/zinc/97/49/91/949974991.db2.gz KBJBJCLMXVQPJA-JQWIXIFHSA-N -1 1 384.404 0.205 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890933 949976076 /nfs/dbraw/zinc/97/60/76/949976076.db2.gz BMZGHLFBGKUJCE-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890933 949976092 /nfs/dbraw/zinc/97/60/92/949976092.db2.gz BMZGHLFBGKUJCE-PWSUYJOCSA-N -1 1 381.400 0.545 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573830716 949978937 /nfs/dbraw/zinc/97/89/37/949978937.db2.gz PGXJQDRGFRVZOQ-ZDUSSCGKSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573830716 949978953 /nfs/dbraw/zinc/97/89/53/949978953.db2.gz PGXJQDRGFRVZOQ-ZDUSSCGKSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1ccnc1 ZINC001574490399 949990528 /nfs/dbraw/zinc/99/05/28/949990528.db2.gz RBOQIWYQRNMVGE-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1ccnc1 ZINC001574490399 949990548 /nfs/dbraw/zinc/99/05/48/949990548.db2.gz RBOQIWYQRNMVGE-WCQYABFASA-N -1 1 382.432 0.811 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575573302 949992146 /nfs/dbraw/zinc/99/21/46/949992146.db2.gz LNLPXZNRSNZVTI-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)[C@@]1(C)CCCOC1 ZINC001575573302 949992164 /nfs/dbraw/zinc/99/21/64/949992164.db2.gz LNLPXZNRSNZVTI-SGTLLEGYSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)CC(=O)N1CCC(N(CCO)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573831386 949995238 /nfs/dbraw/zinc/99/52/38/949995238.db2.gz WVUCMLMWDGOPNQ-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)(C)CC(=O)N1CCC(N(CCO)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573831386 949995271 /nfs/dbraw/zinc/99/52/71/949995271.db2.gz WVUCMLMWDGOPNQ-UHFFFAOYSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)nc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891275 949996691 /nfs/dbraw/zinc/99/66/91/949996691.db2.gz HFFQSCFFOJKQAX-ZYHUDNBSSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181292 949997526 /nfs/dbraw/zinc/99/75/26/949997526.db2.gz LMHHUONWOKWKOX-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181292 949997546 /nfs/dbraw/zinc/99/75/46/949997546.db2.gz LMHHUONWOKWKOX-SMDDNHRTSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891352 949999058 /nfs/dbraw/zinc/99/90/58/949999058.db2.gz IRQKRKMEUJCDEY-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891352 949999076 /nfs/dbraw/zinc/99/90/76/949999076.db2.gz IRQKRKMEUJCDEY-JQWIXIFHSA-N -1 1 383.391 0.978 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001575289659 950002527 /nfs/dbraw/zinc/00/25/27/950002527.db2.gz BAEONCMOBBFRBZ-VXGBXAGGSA-N -1 1 384.448 0.982 20 0 GCADMM CC(C)n1ccc(CC(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001575289659 950002550 /nfs/dbraw/zinc/00/25/50/950002550.db2.gz BAEONCMOBBFRBZ-VXGBXAGGSA-N -1 1 384.448 0.982 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574490574 950006912 /nfs/dbraw/zinc/00/69/12/950006912.db2.gz VJUPLKOPZXKBGH-YPMHNXCESA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574490696 950013540 /nfs/dbraw/zinc/01/35/40/950013540.db2.gz XKHLKSJMILIZEJ-YPMHNXCESA-N -1 1 382.432 0.233 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181835 950021679 /nfs/dbraw/zinc/02/16/79/950021679.db2.gz MUVLGPRVQBFQFH-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181835 950021703 /nfs/dbraw/zinc/02/17/03/950021703.db2.gz MUVLGPRVQBFQFH-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@]1(C(=O)NC[C@@H](CO)Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001575574524 950024490 /nfs/dbraw/zinc/02/44/90/950024490.db2.gz VVADLQQJOZXZFU-CPFSXVBKSA-N -1 1 387.853 0.292 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182098 950035560 /nfs/dbraw/zinc/03/55/60/950035560.db2.gz XYYNULNADPIGSY-SKDRFNHKSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182098 950035583 /nfs/dbraw/zinc/03/55/83/950035583.db2.gz XYYNULNADPIGSY-SKDRFNHKSA-N -1 1 386.395 0.872 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182191 950038065 /nfs/dbraw/zinc/03/80/65/950038065.db2.gz NNZORLRCUKLTJI-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182191 950038086 /nfs/dbraw/zinc/03/80/86/950038086.db2.gz NNZORLRCUKLTJI-BXUZGUMPSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182163 950038977 /nfs/dbraw/zinc/03/89/77/950038977.db2.gz YESDJDGRSCVLQL-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182163 950039000 /nfs/dbraw/zinc/03/90/00/950039000.db2.gz YESDJDGRSCVLQL-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)CCC(=O)NC1 ZINC001575575122 950039365 /nfs/dbraw/zinc/03/93/65/950039365.db2.gz FEEUTXAEHUMTEQ-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)CCC(=O)NC1 ZINC001575575122 950039386 /nfs/dbraw/zinc/03/93/86/950039386.db2.gz FEEUTXAEHUMTEQ-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@H](CN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC001574731345 950048244 /nfs/dbraw/zinc/04/82/44/950048244.db2.gz CSAZQPBANBSNAF-SECBINFHSA-N -1 1 379.425 0.977 20 0 GCADMM C[C@H](CN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001574731345 950048270 /nfs/dbraw/zinc/04/82/70/950048270.db2.gz CSAZQPBANBSNAF-SECBINFHSA-N -1 1 379.425 0.977 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182503 950053190 /nfs/dbraw/zinc/05/31/90/950053190.db2.gz MNABNYKWPPVKFY-RYUDHWBXSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182503 950053215 /nfs/dbraw/zinc/05/32/15/950053215.db2.gz MNABNYKWPPVKFY-RYUDHWBXSA-N -1 1 387.448 0.209 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575892114 950055204 /nfs/dbraw/zinc/05/52/04/950055204.db2.gz RPNIGLAIDSYVSJ-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575892114 950055223 /nfs/dbraw/zinc/05/52/23/950055223.db2.gz RPNIGLAIDSYVSJ-JQWIXIFHSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892510 950072031 /nfs/dbraw/zinc/07/20/31/950072031.db2.gz XDUJWLCUGFACSK-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892510 950072056 /nfs/dbraw/zinc/07/20/56/950072056.db2.gz XDUJWLCUGFACSK-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732798 950075729 /nfs/dbraw/zinc/07/57/29/950075729.db2.gz KUHDQCRNFPTAHG-RQJHMYQMSA-N -1 1 384.853 0.514 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183420 950088353 /nfs/dbraw/zinc/08/83/53/950088353.db2.gz RPSSRVLQEVUQAY-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183420 950088371 /nfs/dbraw/zinc/08/83/71/950088371.db2.gz RPSSRVLQEVUQAY-FZMZJTMJSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183433 950090556 /nfs/dbraw/zinc/09/05/56/950090556.db2.gz RUNYOLTVEIWOEX-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183433 950090576 /nfs/dbraw/zinc/09/05/76/950090576.db2.gz RUNYOLTVEIWOEX-RISCZKNCSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574492580 950095189 /nfs/dbraw/zinc/09/51/89/950095189.db2.gz BMUJLXCRESGKIV-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574492580 950095212 /nfs/dbraw/zinc/09/52/12/950095212.db2.gz BMUJLXCRESGKIV-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492681 950097256 /nfs/dbraw/zinc/09/72/56/950097256.db2.gz OMNYSJDCLQQPLL-HIFPTAJRSA-N -1 1 382.432 0.233 20 0 GCADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574492666 950098972 /nfs/dbraw/zinc/09/89/72/950098972.db2.gz OGXZCOPIXFJUIQ-YVEFUNNKSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@]1(C(=O)NCC2=CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575582074 950100899 /nfs/dbraw/zinc/10/08/99/950100899.db2.gz DGWXEIZDZDDPCW-GOSISDBHSA-N -1 1 384.444 0.726 20 0 GCADMM C[C@@]1(C(=O)NCC2=CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575582074 950100911 /nfs/dbraw/zinc/10/09/11/950100911.db2.gz DGWXEIZDZDDPCW-GOSISDBHSA-N -1 1 384.444 0.726 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183694 950101588 /nfs/dbraw/zinc/10/15/88/950101588.db2.gz SOYWYUFRCDTIOD-TZMCWYRMSA-N -1 1 379.428 0.826 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733260 950105994 /nfs/dbraw/zinc/10/59/94/950105994.db2.gz XAHNTRZVSFKJKO-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733260 950106003 /nfs/dbraw/zinc/10/60/03/950106003.db2.gz XAHNTRZVSFKJKO-JTQLQIEISA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733288 950106262 /nfs/dbraw/zinc/10/62/62/950106262.db2.gz XQAOOHVYCCJUEW-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733288 950106273 /nfs/dbraw/zinc/10/62/73/950106273.db2.gz XQAOOHVYCCJUEW-SECBINFHSA-N -1 1 376.812 0.466 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184004 950110323 /nfs/dbraw/zinc/11/03/23/950110323.db2.gz VBKHWKVTFOUREC-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184004 950110332 /nfs/dbraw/zinc/11/03/32/950110332.db2.gz VBKHWKVTFOUREC-FZMZJTMJSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184006 950111432 /nfs/dbraw/zinc/11/14/32/950111432.db2.gz VBKHWKVTFOUREC-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184006 950111444 /nfs/dbraw/zinc/11/14/44/950111444.db2.gz VBKHWKVTFOUREC-SMDDNHRTSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574493026 950111943 /nfs/dbraw/zinc/11/19/43/950111943.db2.gz QSGXTKHSTSOMNL-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001574493049 950112075 /nfs/dbraw/zinc/11/20/75/950112075.db2.gz QZTBYAQMBDOCCS-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001574493049 950112087 /nfs/dbraw/zinc/11/20/87/950112087.db2.gz QZTBYAQMBDOCCS-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574493041 950112739 /nfs/dbraw/zinc/11/27/39/950112739.db2.gz QVSFOEFSBGTFBL-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574493041 950112756 /nfs/dbraw/zinc/11/27/56/950112756.db2.gz QVSFOEFSBGTFBL-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184066 950113313 /nfs/dbraw/zinc/11/33/13/950113313.db2.gz SNEQVEOXQMFSDH-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184066 950113333 /nfs/dbraw/zinc/11/33/33/950113333.db2.gz SNEQVEOXQMFSDH-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184064 950115401 /nfs/dbraw/zinc/11/54/01/950115401.db2.gz SNEQVEOXQMFSDH-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184064 950115416 /nfs/dbraw/zinc/11/54/16/950115416.db2.gz SNEQVEOXQMFSDH-OLZOCXBDSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733925 950123075 /nfs/dbraw/zinc/12/30/75/950123075.db2.gz HCBUJODHKNGOTC-RITPCOANSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184332 950123932 /nfs/dbraw/zinc/12/39/32/950123932.db2.gz UXRGCYQIEQXABC-AAEUAGOBSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184332 950123941 /nfs/dbraw/zinc/12/39/41/950123941.db2.gz UXRGCYQIEQXABC-AAEUAGOBSA-N -1 1 383.416 0.784 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184282 950124734 /nfs/dbraw/zinc/12/47/34/950124734.db2.gz VTJIRNLTCQTBHJ-ZWNOBZJWSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184282 950124745 /nfs/dbraw/zinc/12/47/45/950124745.db2.gz VTJIRNLTCQTBHJ-ZWNOBZJWSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184362 950130029 /nfs/dbraw/zinc/13/00/29/950130029.db2.gz VEEDTIBRERLQCZ-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184362 950130039 /nfs/dbraw/zinc/13/00/39/950130039.db2.gz VEEDTIBRERLQCZ-RYUDHWBXSA-N -1 1 382.432 0.519 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574493457 950130336 /nfs/dbraw/zinc/13/03/36/950130336.db2.gz HATIFRCFMNMSJU-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574493457 950130349 /nfs/dbraw/zinc/13/03/49/950130349.db2.gz HATIFRCFMNMSJU-TZMCWYRMSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184452 950133048 /nfs/dbraw/zinc/13/30/48/950133048.db2.gz VTFWMJODSFENOW-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184452 950133063 /nfs/dbraw/zinc/13/30/63/950133063.db2.gz VTFWMJODSFENOW-QWHCGFSZSA-N -1 1 386.460 0.858 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573839912 950135717 /nfs/dbraw/zinc/13/57/17/950135717.db2.gz ZAECQGPBRAJNTD-LLVKDONJSA-N -1 1 376.465 0.430 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)CCNC(=O)C1 ZINC001575583149 950142908 /nfs/dbraw/zinc/14/29/08/950142908.db2.gz PBLDBZOYMMDHAL-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@@]1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCC2)CCNC(=O)C1 ZINC001575583149 950142922 /nfs/dbraw/zinc/14/29/22/950142922.db2.gz PBLDBZOYMMDHAL-MRXNPFEDSA-N -1 1 385.432 0.024 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)CCOC1 ZINC001575583591 950144823 /nfs/dbraw/zinc/14/48/23/950144823.db2.gz MJWQCWFXWPXYSW-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)CCOC1 ZINC001575583591 950144833 /nfs/dbraw/zinc/14/48/33/950144833.db2.gz MJWQCWFXWPXYSW-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184985 950149435 /nfs/dbraw/zinc/14/94/35/950149435.db2.gz YAPCVFYRRABCNX-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184985 950149452 /nfs/dbraw/zinc/14/94/52/950149452.db2.gz YAPCVFYRRABCNX-QWRGUYRKSA-N -1 1 383.420 0.138 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001574494252 950154544 /nfs/dbraw/zinc/15/45/44/950154544.db2.gz YGWLKBCEHGEVFM-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001574494252 950154555 /nfs/dbraw/zinc/15/45/55/950154555.db2.gz YGWLKBCEHGEVFM-DOMZBBRYSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576190524 950162825 /nfs/dbraw/zinc/16/28/25/950162825.db2.gz ACIBNNKQUTWEKP-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576190524 950162837 /nfs/dbraw/zinc/16/28/37/950162837.db2.gz ACIBNNKQUTWEKP-VXGBXAGGSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574494434 950163727 /nfs/dbraw/zinc/16/37/27/950163727.db2.gz YQDJONIGZBKGJU-JSGCOSHPSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190430 950164348 /nfs/dbraw/zinc/16/43/48/950164348.db2.gz BIMWFCSXXDULKF-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190430 950164361 /nfs/dbraw/zinc/16/43/61/950164361.db2.gz BIMWFCSXXDULKF-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574494433 950164430 /nfs/dbraw/zinc/16/44/30/950164430.db2.gz YQDJONIGZBKGJU-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190525 950165250 /nfs/dbraw/zinc/16/52/50/950165250.db2.gz AFGJJLHGNDHEHZ-NEPJUHHUSA-N -1 1 382.432 0.022 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001573843305 950168853 /nfs/dbraw/zinc/16/88/53/950168853.db2.gz UAXDJOUFRQPBLA-OLZOCXBDSA-N -1 1 388.476 0.785 20 0 GCADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001573843305 950168861 /nfs/dbraw/zinc/16/88/61/950168861.db2.gz UAXDJOUFRQPBLA-OLZOCXBDSA-N -1 1 388.476 0.785 20 0 GCADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575584396 950171496 /nfs/dbraw/zinc/17/14/96/950171496.db2.gz QMFDEYGVGMCTPM-ACJLOTCBSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190849 950174562 /nfs/dbraw/zinc/17/45/62/950174562.db2.gz CDRFHWMDLCIYJM-QWRGUYRKSA-N -1 1 385.457 0.745 20 0 GCADMM C[C@@H](CNC(=O)c1cnc[nH]c1=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574982626 950174693 /nfs/dbraw/zinc/17/46/93/950174693.db2.gz FWDHDYHWHLQPRX-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@@H](CNC(=O)c1cnc[nH]c1=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574982626 950174710 /nfs/dbraw/zinc/17/47/10/950174710.db2.gz FWDHDYHWHLQPRX-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190846 950176229 /nfs/dbraw/zinc/17/62/29/950176229.db2.gz CDRFHWMDLCIYJM-GHMZBOCLSA-N -1 1 385.457 0.745 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576190848 950176418 /nfs/dbraw/zinc/17/64/18/950176418.db2.gz CDRFHWMDLCIYJM-MNOVXSKESA-N -1 1 385.457 0.745 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191070 950183412 /nfs/dbraw/zinc/18/34/12/950183412.db2.gz DLFOGJUJCLVWJP-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191070 950183433 /nfs/dbraw/zinc/18/34/33/950183433.db2.gz DLFOGJUJCLVWJP-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575585003 950186896 /nfs/dbraw/zinc/18/68/96/950186896.db2.gz VFGPBAGMPPOOGX-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575585003 950186908 /nfs/dbraw/zinc/18/69/08/950186908.db2.gz VFGPBAGMPPOOGX-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191360 950191915 /nfs/dbraw/zinc/19/19/15/950191915.db2.gz FOYLLRCOJSEWOB-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191360 950191930 /nfs/dbraw/zinc/19/19/30/950191930.db2.gz FOYLLRCOJSEWOB-AAEUAGOBSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)n1cncn1 ZINC001574155464 950192174 /nfs/dbraw/zinc/19/21/74/950192174.db2.gz LPDFLPWUJJBOEA-RYUDHWBXSA-N -1 1 385.436 0.452 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)n1cncn1 ZINC001574155464 950192193 /nfs/dbraw/zinc/19/21/93/950192193.db2.gz LPDFLPWUJJBOEA-RYUDHWBXSA-N -1 1 385.436 0.452 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575585421 950194125 /nfs/dbraw/zinc/19/41/25/950194125.db2.gz YRGYVWYVUHPADM-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575585421 950194137 /nfs/dbraw/zinc/19/41/37/950194137.db2.gz YRGYVWYVUHPADM-FZKQIMNGSA-N -1 1 386.460 0.949 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CO[C@H]1CCOC1 ZINC001574155509 950196573 /nfs/dbraw/zinc/19/65/73/950196573.db2.gz MLTAOSTVDTUQRQ-STQMWFEESA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CO[C@H]1CCOC1 ZINC001574155509 950196588 /nfs/dbraw/zinc/19/65/88/950196588.db2.gz MLTAOSTVDTUQRQ-STQMWFEESA-N -1 1 390.448 0.405 20 0 GCADMM C[C@]1(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575585573 950197075 /nfs/dbraw/zinc/19/70/75/950197075.db2.gz AVUMLEWLOBVBLB-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@]1(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575585573 950197088 /nfs/dbraw/zinc/19/70/88/950197088.db2.gz AVUMLEWLOBVBLB-SFHVURJKSA-N -1 1 386.460 0.806 20 0 GCADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191574 950199765 /nfs/dbraw/zinc/19/97/65/950199765.db2.gz IMRDUMMORSHWPP-MNOVXSKESA-N -1 1 385.407 0.756 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cccnc1 ZINC001574155600 950203403 /nfs/dbraw/zinc/20/34/03/950203403.db2.gz OPIRXOFRGKDAQQ-AWEZNQCLSA-N -1 1 381.444 0.659 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575900691 950207958 /nfs/dbraw/zinc/20/79/58/950207958.db2.gz HLYZKYKWEOFQDV-KOLCDFICSA-N -1 1 382.384 0.328 20 0 GCADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001574155682 950208318 /nfs/dbraw/zinc/20/83/18/950208318.db2.gz QBTVGPYTXCWTFS-KBPBESRZSA-N -1 1 388.476 0.838 20 0 GCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574155685 950208850 /nfs/dbraw/zinc/20/88/50/950208850.db2.gz QBTVGPYTXCWTFS-ZIAGYGMSSA-N -1 1 388.476 0.838 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574496105 950212086 /nfs/dbraw/zinc/21/20/86/950212086.db2.gz VPUVCEPLRKQFIL-JSGCOSHPSA-N -1 1 381.444 0.838 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574155980 950215713 /nfs/dbraw/zinc/21/57/13/950215713.db2.gz SVNJKNLHUHCGDU-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574155980 950215731 /nfs/dbraw/zinc/21/57/31/950215731.db2.gz SVNJKNLHUHCGDU-JTQLQIEISA-N -1 1 384.404 0.409 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574496555 950215932 /nfs/dbraw/zinc/21/59/32/950215932.db2.gz XKZYMEPLSGLSJT-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574496555 950215949 /nfs/dbraw/zinc/21/59/49/950215949.db2.gz XKZYMEPLSGLSJT-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1ccnc1 ZINC001574497337 950225586 /nfs/dbraw/zinc/22/55/86/950225586.db2.gz ZIJYPABBBGSDEC-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574497337 950225605 /nfs/dbraw/zinc/22/56/05/950225605.db2.gz ZIJYPABBBGSDEC-AAEUAGOBSA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1ccnc1 ZINC001574497341 950230223 /nfs/dbraw/zinc/23/02/23/950230223.db2.gz ZIJYPABBBGSDEC-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1ccnc1 ZINC001574497341 950230237 /nfs/dbraw/zinc/23/02/37/950230237.db2.gz ZIJYPABBBGSDEC-YPMHNXCESA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574497765 950241621 /nfs/dbraw/zinc/24/16/21/950241621.db2.gz CNYMEGVBTWNEHU-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574497765 950241642 /nfs/dbraw/zinc/24/16/42/950241642.db2.gz CNYMEGVBTWNEHU-GXTWGEPZSA-N -1 1 382.428 0.740 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CO[C@@H]1CCOC1 ZINC001574157545 950243192 /nfs/dbraw/zinc/24/31/92/950243192.db2.gz CRDXVWVOSZPMCV-CHWSQXEVSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CO[C@@H]1CCOC1 ZINC001574157545 950243208 /nfs/dbraw/zinc/24/32/08/950243208.db2.gz CRDXVWVOSZPMCV-CHWSQXEVSA-N -1 1 390.448 0.405 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574157792 950252905 /nfs/dbraw/zinc/25/29/05/950252905.db2.gz ITSVTBPPFDNHTJ-DGCLKSJQSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574157792 950252922 /nfs/dbraw/zinc/25/29/22/950252922.db2.gz ITSVTBPPFDNHTJ-DGCLKSJQSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)CC(N)=O ZINC001574157864 950258394 /nfs/dbraw/zinc/25/83/94/950258394.db2.gz KFIVDYMELKOTKM-WDEREUQCSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)CC(N)=O ZINC001574157864 950258408 /nfs/dbraw/zinc/25/84/08/950258408.db2.gz KFIVDYMELKOTKM-WDEREUQCSA-N -1 1 375.437 0.111 20 0 GCADMM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001573849766 950261479 /nfs/dbraw/zinc/26/14/79/950261479.db2.gz BBVHAKHKHQPRPU-SECBINFHSA-N -1 1 388.388 0.892 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192802 950266158 /nfs/dbraw/zinc/26/61/58/950266158.db2.gz PFBKONLZIOHFIG-AAEUAGOBSA-N -1 1 380.416 0.079 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574158066 950267583 /nfs/dbraw/zinc/26/75/83/950267583.db2.gz NTRPTCQZHBQZJU-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574158066 950267604 /nfs/dbraw/zinc/26/76/04/950267604.db2.gz NTRPTCQZHBQZJU-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)(C)Nc1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573850523 950276101 /nfs/dbraw/zinc/27/61/01/950276101.db2.gz KKFPRWYCTDBBCU-UHFFFAOYSA-N -1 1 384.400 0.978 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574158496 950281139 /nfs/dbraw/zinc/28/11/39/950281139.db2.gz BNSLXJGHGXCVMO-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574158496 950281161 /nfs/dbraw/zinc/28/11/61/950281161.db2.gz BNSLXJGHGXCVMO-VXGBXAGGSA-N -1 1 387.448 0.078 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001574498668 950283209 /nfs/dbraw/zinc/28/32/09/950283209.db2.gz PFLPEKBFBUKYHZ-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001574498668 950283227 /nfs/dbraw/zinc/28/32/27/950283227.db2.gz PFLPEKBFBUKYHZ-NSHDSACASA-N -1 1 382.432 0.645 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)n1ccnc1 ZINC001574498680 950285992 /nfs/dbraw/zinc/28/59/92/950285992.db2.gz PLCMQSSYTHJJQD-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)n1ccnc1 ZINC001574498680 950286009 /nfs/dbraw/zinc/28/60/09/950286009.db2.gz PLCMQSSYTHJJQD-LBPRGKRZSA-N -1 1 382.432 0.955 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193125 950286775 /nfs/dbraw/zinc/28/67/75/950286775.db2.gz SBLWFUIKOUIVTG-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM C[C@H]1CCN(C(=O)c2cnsn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193125 950286790 /nfs/dbraw/zinc/28/67/90/950286790.db2.gz SBLWFUIKOUIVTG-VHSXEESVSA-N -1 1 386.445 0.719 20 0 GCADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCN(C)C1=O ZINC001574158809 950291445 /nfs/dbraw/zinc/29/14/45/950291445.db2.gz 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CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cncn1C ZINC001574159429 950309418 /nfs/dbraw/zinc/30/94/18/950309418.db2.gz HUBUYLGEOMEGFU-GFCCVEGCSA-N -1 1 384.448 0.576 20 0 GCADMM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573852887 950312024 /nfs/dbraw/zinc/31/20/24/950312024.db2.gz KRKONQUZGRQICW-UHFFFAOYSA-N -1 1 389.416 0.250 20 0 GCADMM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573852887 950312044 /nfs/dbraw/zinc/31/20/44/950312044.db2.gz KRKONQUZGRQICW-UHFFFAOYSA-N -1 1 389.416 0.250 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001574500277 950313190 /nfs/dbraw/zinc/31/31/90/950313190.db2.gz ZGRBSMQWZSVLQG-JSGCOSHPSA-N -1 1 388.476 0.574 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCCO2)CCCC1 ZINC001575593394 950313330 /nfs/dbraw/zinc/31/33/30/950313330.db2.gz FVZHLBLKKUFAMV-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCCO2)CCCC1 ZINC001575593394 950313350 /nfs/dbraw/zinc/31/33/50/950313350.db2.gz FVZHLBLKKUFAMV-ZDUSSCGKSA-N -1 1 386.460 0.949 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193916 950316353 /nfs/dbraw/zinc/31/63/53/950316353.db2.gz WAPOFYZPOYRHAO-JSGCOSHPSA-N -1 1 381.444 0.627 20 0 GCADMM CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573853194 950317258 /nfs/dbraw/zinc/31/72/58/950317258.db2.gz NQJORLZEQRWVTC-UHFFFAOYSA-N -1 1 389.416 0.514 20 0 GCADMM CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573853194 950317294 /nfs/dbraw/zinc/31/72/94/950317294.db2.gz NQJORLZEQRWVTC-UHFFFAOYSA-N -1 1 389.416 0.514 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193749 950317921 /nfs/dbraw/zinc/31/79/21/950317921.db2.gz WTWLGOZFPFJCQS-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193749 950317946 /nfs/dbraw/zinc/31/79/46/950317946.db2.gz WTWLGOZFPFJCQS-STQMWFEESA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193915 950319898 /nfs/dbraw/zinc/31/98/98/950319898.db2.gz WAPOFYZPOYRHAO-GXTWGEPZSA-N -1 1 381.444 0.627 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574501050 950321479 /nfs/dbraw/zinc/32/14/79/950321479.db2.gz AOSDBHSNAPOQQF-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574501050 950321500 /nfs/dbraw/zinc/32/15/00/950321500.db2.gz AOSDBHSNAPOQQF-STQMWFEESA-N -1 1 382.432 0.590 20 0 GCADMM C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576193984 950321972 /nfs/dbraw/zinc/32/19/72/950321972.db2.gz WYONUFJISRVCMR-RYUDHWBXSA-N -1 1 380.416 0.079 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573853744 950331089 /nfs/dbraw/zinc/33/10/89/950331089.db2.gz UZHIBAJPLGCCAZ-JTQLQIEISA-N -1 1 392.420 0.944 20 0 GCADMM CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573853744 950331109 /nfs/dbraw/zinc/33/11/09/950331109.db2.gz UZHIBAJPLGCCAZ-JTQLQIEISA-N -1 1 392.420 0.944 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574501471 950332753 /nfs/dbraw/zinc/33/27/53/950332753.db2.gz DPRPTZVKQRKKPO-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574501471 950332775 /nfs/dbraw/zinc/33/27/75/950332775.db2.gz DPRPTZVKQRKKPO-QWHCGFSZSA-N -1 1 382.432 0.590 20 0 GCADMM CC1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575594933 950344717 /nfs/dbraw/zinc/34/47/17/950344717.db2.gz WBLQIFDUTWWXAT-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575594933 950344728 /nfs/dbraw/zinc/34/47/28/950344728.db2.gz WBLQIFDUTWWXAT-ZDUSSCGKSA-N -1 1 386.460 0.806 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C)c1N ZINC001574160878 950344880 /nfs/dbraw/zinc/34/48/80/950344880.db2.gz QGLMJTMOFKYNCU-SNVBAGLBSA-N -1 1 385.436 0.229 20 0 GCADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C)c1N ZINC001574160878 950344904 /nfs/dbraw/zinc/34/49/04/950344904.db2.gz QGLMJTMOFKYNCU-SNVBAGLBSA-N -1 1 385.436 0.229 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194528 950347637 /nfs/dbraw/zinc/34/76/37/950347637.db2.gz ZUVSPOHSZKINIQ-UWVGGRQHSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194528 950347658 /nfs/dbraw/zinc/34/76/58/950347658.db2.gz ZUVSPOHSZKINIQ-UWVGGRQHSA-N -1 1 386.395 0.729 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194524 950349448 /nfs/dbraw/zinc/34/94/48/950349448.db2.gz ZQHRJKZXZDRHGL-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194524 950349475 /nfs/dbraw/zinc/34/94/75/950349475.db2.gz ZQHRJKZXZDRHGL-RYUDHWBXSA-N -1 1 380.416 0.657 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574161242 950354153 /nfs/dbraw/zinc/35/41/53/950354153.db2.gz SDHUDXRUKAMAOH-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574161242 950354171 /nfs/dbraw/zinc/35/41/71/950354171.db2.gz SDHUDXRUKAMAOH-GTNSWQLSSA-N -1 1 387.448 0.268 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574502226 950362891 /nfs/dbraw/zinc/36/28/91/950362891.db2.gz KQLZGSDEZPUJNJ-OLZOCXBDSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001573855325 950367369 /nfs/dbraw/zinc/36/73/69/950367369.db2.gz QPEAFWIAPRCJDS-LOWDOPEQSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001573855325 950367388 /nfs/dbraw/zinc/36/73/88/950367388.db2.gz QPEAFWIAPRCJDS-LOWDOPEQSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574161802 950370855 /nfs/dbraw/zinc/37/08/55/950370855.db2.gz XIRSSNRAUGUCHR-RYUDHWBXSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574161802 950370876 /nfs/dbraw/zinc/37/08/76/950370876.db2.gz XIRSSNRAUGUCHR-RYUDHWBXSA-N -1 1 388.432 0.553 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001573855394 950374210 /nfs/dbraw/zinc/37/42/10/950374210.db2.gz SNVMKVZJKFJOQV-OIMNJJJWSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573855394 950374234 /nfs/dbraw/zinc/37/42/34/950374234.db2.gz SNVMKVZJKFJOQV-OIMNJJJWSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@]1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001575596514 950377438 /nfs/dbraw/zinc/37/74/38/950377438.db2.gz TUBAGBXBWLQNHF-PXAZEXFGSA-N -1 1 392.485 0.672 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574745395 950382443 /nfs/dbraw/zinc/38/24/43/950382443.db2.gz JBRNRJMWZCYCLW-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574745395 950382466 /nfs/dbraw/zinc/38/24/66/950382466.db2.gz JBRNRJMWZCYCLW-QMMMGPOBSA-N -1 1 390.358 0.957 20 0 GCADMM CC1(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575596823 950387371 /nfs/dbraw/zinc/38/73/71/950387371.db2.gz INOZGGBWLPYTHW-AOOOYVTPSA-N -1 1 378.387 0.821 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1ccnc1 ZINC001574502860 950395889 /nfs/dbraw/zinc/39/58/89/950395889.db2.gz RFXHSDVCVHVYRB-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1ccnc1 ZINC001574502860 950395908 /nfs/dbraw/zinc/39/59/08/950395908.db2.gz RFXHSDVCVHVYRB-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001573857122 950403553 /nfs/dbraw/zinc/40/35/53/950403553.db2.gz OPHGAGMAPPGMTC-HNNXBMFYSA-N -1 1 378.393 0.312 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1CCO ZINC001573857363 950404341 /nfs/dbraw/zinc/40/43/41/950404341.db2.gz PYCMOYYLSGJFOP-NSHDSACASA-N -1 1 376.421 0.465 20 0 GCADMM CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1CCO ZINC001573857363 950404358 /nfs/dbraw/zinc/40/43/58/950404358.db2.gz PYCMOYYLSGJFOP-NSHDSACASA-N -1 1 376.421 0.465 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(=O)NC1 ZINC001575597696 950418373 /nfs/dbraw/zinc/41/83/73/950418373.db2.gz VTXOKGROCGIRGE-VNBZBWLYSA-N -1 1 399.459 0.270 20 0 GCADMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(=O)NC1 ZINC001575597696 950418394 /nfs/dbraw/zinc/41/83/94/950418394.db2.gz VTXOKGROCGIRGE-VNBZBWLYSA-N -1 1 399.459 0.270 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574747908 950421928 /nfs/dbraw/zinc/42/19/28/950421928.db2.gz ZYSYXXNAGOMLGV-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574747908 950421940 /nfs/dbraw/zinc/42/19/40/950421940.db2.gz ZYSYXXNAGOMLGV-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CNC(=O)C1CC1 ZINC001574163353 950423600 /nfs/dbraw/zinc/42/36/00/950423600.db2.gz SFKXZARZNITRAD-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CNC(=O)C1CC1 ZINC001574163353 950423618 /nfs/dbraw/zinc/42/36/18/950423618.db2.gz SFKXZARZNITRAD-LBPRGKRZSA-N -1 1 387.448 0.126 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574504007 950423995 /nfs/dbraw/zinc/42/39/95/950423995.db2.gz ZGIBOLYRXDVMFO-OLZOCXBDSA-N -1 1 382.432 0.447 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001574504006 950424168 /nfs/dbraw/zinc/42/41/68/950424168.db2.gz ZGIBOLYRXDVMFO-CHWSQXEVSA-N -1 1 382.432 0.447 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001573861096 950441633 /nfs/dbraw/zinc/44/16/33/950441633.db2.gz SPJMGBFLNOGUAA-NSHDSACASA-N -1 1 378.389 0.825 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001573861096 950441643 /nfs/dbraw/zinc/44/16/43/950441643.db2.gz SPJMGBFLNOGUAA-NSHDSACASA-N -1 1 378.389 0.825 20 0 GCADMM C[C@H](CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cccc(F)c1 ZINC001574506705 950442193 /nfs/dbraw/zinc/44/21/93/950442193.db2.gz BWFMGTYCIOZOLT-SNVBAGLBSA-N -1 1 387.375 0.578 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573861316 950445050 /nfs/dbraw/zinc/44/50/50/950445050.db2.gz YANPWOOLAXKCLP-WPRPVWTQSA-N -1 1 378.393 0.458 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573861316 950445067 /nfs/dbraw/zinc/44/50/67/950445067.db2.gz YANPWOOLAXKCLP-WPRPVWTQSA-N -1 1 378.393 0.458 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575604980 950450645 /nfs/dbraw/zinc/45/06/45/950450645.db2.gz JFLKXWIQZLGCDK-QDTBLXIISA-N -1 1 384.444 0.699 20 0 GCADMM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575604980 950450651 /nfs/dbraw/zinc/45/06/51/950450651.db2.gz JFLKXWIQZLGCDK-QDTBLXIISA-N -1 1 384.444 0.699 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575911905 950454783 /nfs/dbraw/zinc/45/47/83/950454783.db2.gz FSLIAIBPLQADHK-GWCFXTLKSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575911905 950454794 /nfs/dbraw/zinc/45/47/94/950454794.db2.gz FSLIAIBPLQADHK-GWCFXTLKSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574751442 950456918 /nfs/dbraw/zinc/45/69/18/950456918.db2.gz NQRUSHFNSLCYIM-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574751442 950456929 /nfs/dbraw/zinc/45/69/29/950456929.db2.gz NQRUSHFNSLCYIM-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751797 950465225 /nfs/dbraw/zinc/46/52/25/950465225.db2.gz RFBBDVWGXHGQLU-NSHDSACASA-N -1 1 381.444 0.858 20 0 GCADMM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751795 950465995 /nfs/dbraw/zinc/46/59/95/950465995.db2.gz RFBBDVWGXHGQLU-LLVKDONJSA-N -1 1 381.444 0.858 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccn1 ZINC001574508028 950467265 /nfs/dbraw/zinc/46/72/65/950467265.db2.gz LQKFHLZSCNTXGN-MGPQQGTHSA-N -1 1 396.459 0.693 20 0 GCADMM C[C@H](CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccn1 ZINC001574508028 950467274 /nfs/dbraw/zinc/46/72/74/950467274.db2.gz LQKFHLZSCNTXGN-MGPQQGTHSA-N -1 1 396.459 0.693 20 0 GCADMM C[C@]1(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575605593 950472114 /nfs/dbraw/zinc/47/21/14/950472114.db2.gz NVFDCLYGTRNMGS-LXIYXOSZSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccn1 ZINC001574508169 950474267 /nfs/dbraw/zinc/47/42/67/950474267.db2.gz JYEONQCODXYFPM-GFCCVEGCSA-N -1 1 382.432 0.590 20 0 GCADMM CC(C)(C)OC1CCC(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001573863345 950475260 /nfs/dbraw/zinc/47/52/60/950475260.db2.gz DGZFYTHZBPYGDH-UHFFFAOYSA-N -1 1 377.453 0.884 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752350 950482632 /nfs/dbraw/zinc/48/26/32/950482632.db2.gz BGXRFCQDHVAGMY-NSHDSACASA-N -1 1 382.432 0.112 20 0 GCADMM C[C@H](CC(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574508673 950483682 /nfs/dbraw/zinc/48/36/82/950483682.db2.gz LYKGNVKXGUIFNW-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](CC(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574508673 950483705 /nfs/dbraw/zinc/48/37/05/950483705.db2.gz LYKGNVKXGUIFNW-CYBMUJFWSA-N -1 1 385.476 0.331 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001574508950 950490488 /nfs/dbraw/zinc/49/04/88/950490488.db2.gz REWQRVHFCDLLOL-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001574508950 950490504 /nfs/dbraw/zinc/49/05/04/950490504.db2.gz REWQRVHFCDLLOL-JHJVBQTASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cc(N(C)C)ccn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752553 950491491 /nfs/dbraw/zinc/49/14/91/950491491.db2.gz XVMAVSARXAARSU-NSHDSACASA-N -1 1 382.432 0.112 20 0 GCADMM CC(C)CCC(=O)N(C)CCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574167871 950493426 /nfs/dbraw/zinc/49/34/26/950493426.db2.gz KIQPQSNMNMFTEA-UHFFFAOYSA-N -1 1 387.492 0.673 20 0 GCADMM C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574994876 950498105 /nfs/dbraw/zinc/49/81/05/950498105.db2.gz AWOZDLCIKQTWSC-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574994876 950498113 /nfs/dbraw/zinc/49/81/13/950498113.db2.gz AWOZDLCIKQTWSC-SSDOTTSWSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752951 950503162 /nfs/dbraw/zinc/50/31/62/950503162.db2.gz GXNOHHIEIYYWCH-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752951 950503180 /nfs/dbraw/zinc/50/31/80/950503180.db2.gz GXNOHHIEIYYWCH-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574995349 950504908 /nfs/dbraw/zinc/50/49/08/950504908.db2.gz DZQKFCDVCAQVIL-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574995349 950504915 /nfs/dbraw/zinc/50/49/15/950504915.db2.gz DZQKFCDVCAQVIL-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574995347 950505162 /nfs/dbraw/zinc/50/51/62/950505162.db2.gz DZQKFCDVCAQVIL-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574995347 950505179 /nfs/dbraw/zinc/50/51/79/950505179.db2.gz DZQKFCDVCAQVIL-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1nccnc1-c1nnn[n-]1 ZINC001574995330 950507551 /nfs/dbraw/zinc/50/75/51/950507551.db2.gz DWHMBRWEZYXNTH-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1nccnc1-c1nn[n-]n1 ZINC001574995330 950507565 /nfs/dbraw/zinc/50/75/65/950507565.db2.gz DWHMBRWEZYXNTH-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753227 950511662 /nfs/dbraw/zinc/51/16/62/950511662.db2.gz JVTMCAWSVMPTRN-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753227 950511683 /nfs/dbraw/zinc/51/16/83/950511683.db2.gz JVTMCAWSVMPTRN-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573866910 950512992 /nfs/dbraw/zinc/51/29/92/950512992.db2.gz NPNDRKPQSFJOQJ-UHFFFAOYSA-N -1 1 390.448 0.237 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573866910 950513007 /nfs/dbraw/zinc/51/30/07/950513007.db2.gz NPNDRKPQSFJOQJ-UHFFFAOYSA-N -1 1 390.448 0.237 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001574509510 950515523 /nfs/dbraw/zinc/51/55/23/950515523.db2.gz WFBRPPROYOZWKW-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001574509510 950515545 /nfs/dbraw/zinc/51/55/45/950515545.db2.gz WFBRPPROYOZWKW-UPJWGTAASA-N -1 1 382.432 0.811 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573866935 950518455 /nfs/dbraw/zinc/51/84/55/950518455.db2.gz NZMVAOUZHPLXLC-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573866935 950518475 /nfs/dbraw/zinc/51/84/75/950518475.db2.gz NZMVAOUZHPLXLC-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)c1cc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574995985 950519056 /nfs/dbraw/zinc/51/90/56/950519056.db2.gz JDZVSQQQLLKTHF-NSHDSACASA-N -1 1 384.448 0.414 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574996003 950519113 /nfs/dbraw/zinc/51/91/13/950519113.db2.gz JLQFMTZAAOHTOI-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574996003 950519136 /nfs/dbraw/zinc/51/91/36/950519136.db2.gz JLQFMTZAAOHTOI-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573866933 950519771 /nfs/dbraw/zinc/51/97/71/950519771.db2.gz NZMVAOUZHPLXLC-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573866933 950519781 /nfs/dbraw/zinc/51/97/81/950519781.db2.gz NZMVAOUZHPLXLC-CHWSQXEVSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ncccn1 ZINC001575915764 950520104 /nfs/dbraw/zinc/52/01/04/950520104.db2.gz ODPXRKZIKWTPMA-RYUDHWBXSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ncccn1 ZINC001575915764 950520123 /nfs/dbraw/zinc/52/01/23/950520123.db2.gz ODPXRKZIKWTPMA-RYUDHWBXSA-N -1 1 380.416 0.481 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573867168 950522565 /nfs/dbraw/zinc/52/25/65/950522565.db2.gz RTRSWVFNCWBSAK-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573867168 950522578 /nfs/dbraw/zinc/52/25/78/950522578.db2.gz RTRSWVFNCWBSAK-GXTWGEPZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573867327 950529982 /nfs/dbraw/zinc/52/99/82/950529982.db2.gz WGKCILPINIDUTN-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)(C)OCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573867327 950529998 /nfs/dbraw/zinc/52/99/98/950529998.db2.gz WGKCILPINIDUTN-QWHCGFSZSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Br)c[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574996687 950531463 /nfs/dbraw/zinc/53/14/63/950531463.db2.gz OIZYVZUFWVHGHI-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Br)c[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574996687 950531479 /nfs/dbraw/zinc/53/14/79/950531479.db2.gz OIZYVZUFWVHGHI-ZETCQYMHSA-N -1 1 392.221 0.978 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574996708 950536566 /nfs/dbraw/zinc/53/65/66/950536566.db2.gz OUKBJSDUJINQGE-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574996708 950536574 /nfs/dbraw/zinc/53/65/74/950536574.db2.gz OUKBJSDUJINQGE-JTQLQIEISA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753680 950536987 /nfs/dbraw/zinc/53/69/87/950536987.db2.gz QDVLOGYFNIEZDU-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753680 950537001 /nfs/dbraw/zinc/53/70/01/950537001.db2.gz QDVLOGYFNIEZDU-JTQLQIEISA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1nccnc1-c1nnn[n-]1 ZINC001574997089 950538000 /nfs/dbraw/zinc/53/80/00/950538000.db2.gz REYSFYWGCPTUDN-SSDOTTSWSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)CNc1nccnc1-c1nn[n-]n1 ZINC001574997089 950538020 /nfs/dbraw/zinc/53/80/20/950538020.db2.gz REYSFYWGCPTUDN-SSDOTTSWSA-N -1 1 378.347 0.795 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)[C@H]1CCCO1 ZINC001574510081 950540446 /nfs/dbraw/zinc/54/04/46/950540446.db2.gz ZWRYLEIEHQUIIU-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)[C@H]1CCCO1 ZINC001574510081 950540467 /nfs/dbraw/zinc/54/04/67/950540467.db2.gz ZWRYLEIEHQUIIU-GXTWGEPZSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)[C@@H]1CCCO1 ZINC001574510083 950545550 /nfs/dbraw/zinc/54/55/50/950545550.db2.gz ZWRYLEIEHQUIIU-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)[C@@H]1CCCO1 ZINC001574510083 950545581 /nfs/dbraw/zinc/54/55/81/950545581.db2.gz ZWRYLEIEHQUIIU-OCCSQVGLSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001574170729 950547158 /nfs/dbraw/zinc/54/71/58/950547158.db2.gz LFVQPHQRUVFCQT-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001574170729 950547172 /nfs/dbraw/zinc/54/71/72/950547172.db2.gz LFVQPHQRUVFCQT-SFHVURJKSA-N -1 1 386.460 0.901 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574997693 950550608 /nfs/dbraw/zinc/55/06/08/950550608.db2.gz WJPPIYBSDFAJET-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574997693 950550621 /nfs/dbraw/zinc/55/06/21/950550621.db2.gz WJPPIYBSDFAJET-SNVBAGLBSA-N -1 1 384.448 0.932 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753883 950551203 /nfs/dbraw/zinc/55/12/03/950551203.db2.gz USVXEKZPFCBOMM-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753883 950551222 /nfs/dbraw/zinc/55/12/22/950551222.db2.gz USVXEKZPFCBOMM-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575614769 950553011 /nfs/dbraw/zinc/55/30/11/950553011.db2.gz PIMASVSRNLFYPM-OVSNFEJUSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575614769 950553027 /nfs/dbraw/zinc/55/30/27/950553027.db2.gz PIMASVSRNLFYPM-OVSNFEJUSA-N -1 1 384.444 0.699 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574999053 950567022 /nfs/dbraw/zinc/56/70/22/950567022.db2.gz FDSRWDBEASHIFC-VIFPVBQESA-N -1 1 381.400 0.865 20 0 GCADMM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574999053 950567046 /nfs/dbraw/zinc/56/70/46/950567046.db2.gz FDSRWDBEASHIFC-VIFPVBQESA-N -1 1 381.400 0.865 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1nccnc1-c1nnn[n-]1 ZINC001574999256 950573746 /nfs/dbraw/zinc/57/37/46/950573746.db2.gz HXVUTRAUHKELCJ-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1nccnc1-c1nn[n-]n1 ZINC001574999256 950573768 /nfs/dbraw/zinc/57/37/68/950573768.db2.gz HXVUTRAUHKELCJ-QMMMGPOBSA-N -1 1 387.429 0.295 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574511916 950574565 /nfs/dbraw/zinc/57/45/65/950574565.db2.gz WFAKQNPMQSCHJN-BHPKHCPMSA-N -1 1 394.443 0.730 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574511916 950574578 /nfs/dbraw/zinc/57/45/78/950574578.db2.gz WFAKQNPMQSCHJN-BHPKHCPMSA-N -1 1 394.443 0.730 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001573869911 950576123 /nfs/dbraw/zinc/57/61/23/950576123.db2.gz RJKSFQRTSWQLOO-XIKOKIGWSA-N -1 1 386.460 0.757 20 0 GCADMM CC(C)(C)OCC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001573869911 950576134 /nfs/dbraw/zinc/57/61/34/950576134.db2.gz RJKSFQRTSWQLOO-XIKOKIGWSA-N -1 1 386.460 0.757 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575918134 950585047 /nfs/dbraw/zinc/58/50/47/950585047.db2.gz AOCGOBPWKLWFRG-JGVFFNPUSA-N -1 1 391.848 0.904 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574999495 950586284 /nfs/dbraw/zinc/58/62/84/950586284.db2.gz KQUSKDLOXRCPCL-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574999495 950586301 /nfs/dbraw/zinc/58/63/01/950586301.db2.gz KQUSKDLOXRCPCL-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574999788 950590509 /nfs/dbraw/zinc/59/05/09/950590509.db2.gz NRIHULHIRFUOED-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574999788 950590520 /nfs/dbraw/zinc/59/05/20/950590520.db2.gz NRIHULHIRFUOED-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001573870209 950590430 /nfs/dbraw/zinc/59/04/30/950590430.db2.gz GUWYPEKPOCSGLX-QGZVFWFLSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001573870209 950590450 /nfs/dbraw/zinc/59/04/50/950590450.db2.gz GUWYPEKPOCSGLX-QGZVFWFLSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573870365 950592753 /nfs/dbraw/zinc/59/27/53/950592753.db2.gz VMRDTCTZQVIKDZ-RYUDHWBXSA-N -1 1 386.460 0.733 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575000146 950597868 /nfs/dbraw/zinc/59/78/68/950597868.db2.gz AVECVKULFOBKOG-VIFPVBQESA-N -1 1 381.400 0.476 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575000146 950597878 /nfs/dbraw/zinc/59/78/78/950597878.db2.gz AVECVKULFOBKOG-VIFPVBQESA-N -1 1 381.400 0.476 20 0 GCADMM CC1(C)C(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575617651 950603479 /nfs/dbraw/zinc/60/34/79/950603479.db2.gz DTBDZBQQZRGVHN-SFHVURJKSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575617651 950603491 /nfs/dbraw/zinc/60/34/91/950603491.db2.gz DTBDZBQQZRGVHN-SFHVURJKSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575617645 950605221 /nfs/dbraw/zinc/60/52/21/950605221.db2.gz DTBDZBQQZRGVHN-GOSISDBHSA-N -1 1 386.460 0.396 20 0 GCADMM CC1(C)C(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575617645 950605236 /nfs/dbraw/zinc/60/52/36/950605236.db2.gz DTBDZBQQZRGVHN-GOSISDBHSA-N -1 1 386.460 0.396 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575919007 950605077 /nfs/dbraw/zinc/60/50/77/950605077.db2.gz FLBZBYXCEWRNSX-PSASIEDQSA-N -1 1 390.358 0.963 20 0 GCADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575919007 950605092 /nfs/dbraw/zinc/60/50/92/950605092.db2.gz FLBZBYXCEWRNSX-PSASIEDQSA-N -1 1 390.358 0.963 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001573871015 950609714 /nfs/dbraw/zinc/60/97/14/950609714.db2.gz LQWPPWBWOKUJRM-GFCCVEGCSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001573871015 950609734 /nfs/dbraw/zinc/60/97/34/950609734.db2.gz LQWPPWBWOKUJRM-GFCCVEGCSA-N -1 1 390.448 0.183 20 0 GCADMM CC(C)(C)OCC(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573870950 950610284 /nfs/dbraw/zinc/61/02/84/950610284.db2.gz LACUFBUDRZOACW-SSDOTTSWSA-N -1 1 389.869 0.681 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)C1(C)C ZINC001575618527 950613412 /nfs/dbraw/zinc/61/34/12/950613412.db2.gz JXBQGBGPNZTOBO-CMPLNLGQSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)C1(C)C ZINC001575618527 950613431 /nfs/dbraw/zinc/61/34/31/950613431.db2.gz JXBQGBGPNZTOBO-CMPLNLGQSA-N -1 1 386.460 0.395 20 0 GCADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[C@H](C)NC(N)=O ZINC001574513702 950616398 /nfs/dbraw/zinc/61/63/98/950616398.db2.gz VYYONNQOOZPUEP-NTSWFWBYSA-N -1 1 387.857 0.340 20 0 GCADMM C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575001151 950621068 /nfs/dbraw/zinc/62/10/68/950621068.db2.gz UJFOEEHILPDCRD-LURJTMIESA-N -1 1 382.215 0.944 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncnc2[nH]ccc21 ZINC001575919805 950622509 /nfs/dbraw/zinc/62/25/09/950622509.db2.gz KCPBMJYXEXGOSM-KOLCDFICSA-N -1 1 391.399 0.595 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncnc2[nH]ccc21 ZINC001575919805 950622524 /nfs/dbraw/zinc/62/25/24/950622524.db2.gz KCPBMJYXEXGOSM-KOLCDFICSA-N -1 1 391.399 0.595 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575001186 950623138 /nfs/dbraw/zinc/62/31/38/950623138.db2.gz UZWIZLLNZSZAAF-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575001186 950623157 /nfs/dbraw/zinc/62/31/57/950623157.db2.gz UZWIZLLNZSZAAF-SNVBAGLBSA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncnc2[nH]ccc21 ZINC001575919807 950624172 /nfs/dbraw/zinc/62/41/72/950624172.db2.gz KCPBMJYXEXGOSM-ONGXEEELSA-N -1 1 391.399 0.595 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncnc2[nH]ccc21 ZINC001575919807 950624188 /nfs/dbraw/zinc/62/41/88/950624188.db2.gz KCPBMJYXEXGOSM-ONGXEEELSA-N -1 1 391.399 0.595 20 0 GCADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575920240 950629533 /nfs/dbraw/zinc/62/95/33/950629533.db2.gz LQIJSRAZLNREIO-ABAIWWIYSA-N -1 1 392.423 0.824 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575920261 950633881 /nfs/dbraw/zinc/63/38/81/950633881.db2.gz MAFCSJITNLWVQT-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575920261 950633890 /nfs/dbraw/zinc/63/38/90/950633890.db2.gz MAFCSJITNLWVQT-JQWIXIFHSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2nc[nH]c21 ZINC001575921382 950636862 /nfs/dbraw/zinc/63/68/62/950636862.db2.gz NRYJWFGEZSQBKT-CMPLNLGQSA-N -1 1 390.411 0.670 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](CO)Nc1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575622306 950641108 /nfs/dbraw/zinc/64/11/08/950641108.db2.gz CAEVYUHPFKDJPL-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](CO)Nc1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575622306 950641123 /nfs/dbraw/zinc/64/11/23/950641123.db2.gz CAEVYUHPFKDJPL-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575921688 950641301 /nfs/dbraw/zinc/64/13/01/950641301.db2.gz OEHXAGHBPLVPMD-ZYHUDNBSSA-N -1 1 392.427 0.461 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574175006 950647230 /nfs/dbraw/zinc/64/72/30/950647230.db2.gz WNHBZVRSDKLPFB-AWEZNQCLSA-N -1 1 388.476 0.883 20 0 GCADMM CC(C)CCC(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574175006 950647242 /nfs/dbraw/zinc/64/72/42/950647242.db2.gz WNHBZVRSDKLPFB-AWEZNQCLSA-N -1 1 388.476 0.883 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002041 950650544 /nfs/dbraw/zinc/65/05/44/950650544.db2.gz YRVNZDVRJFJOOI-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002041 950650552 /nfs/dbraw/zinc/65/05/52/950650552.db2.gz YRVNZDVRJFJOOI-MRVPVSSYSA-N -1 1 392.374 0.583 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1cccc1 ZINC001574518240 950651172 /nfs/dbraw/zinc/65/11/72/950651172.db2.gz MTVUQRJLWXHNPP-FJZAXULXSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1cccc1 ZINC001574518240 950651180 /nfs/dbraw/zinc/65/11/80/950651180.db2.gz MTVUQRJLWXHNPP-FJZAXULXSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1cccc1 ZINC001574518239 950651841 /nfs/dbraw/zinc/65/18/41/950651841.db2.gz MTVUQRJLWXHNPP-APNQJHFZSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)n1cccc1 ZINC001574518239 950651853 /nfs/dbraw/zinc/65/18/53/950651853.db2.gz MTVUQRJLWXHNPP-APNQJHFZSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575922968 950655079 /nfs/dbraw/zinc/65/50/79/950655079.db2.gz BEQMKPNGTRVIBD-ZWNOBZJWSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575922968 950655092 /nfs/dbraw/zinc/65/50/92/950655092.db2.gz BEQMKPNGTRVIBD-ZWNOBZJWSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575923262 950655184 /nfs/dbraw/zinc/65/51/84/950655184.db2.gz PZWMQCRDPVSVKZ-MWLCHTKSSA-N -1 1 380.416 0.394 20 0 GCADMM CCN1CCN(CC(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)CC1 ZINC001589744511 950655886 /nfs/dbraw/zinc/65/58/86/950655886.db2.gz UKEYLUIYKYFQHS-SJLPKXTDSA-N -1 1 388.468 0.167 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccncc1 ZINC001574518737 950659354 /nfs/dbraw/zinc/65/93/54/950659354.db2.gz QPIFVGJCKZSFDZ-CVGURMSBSA-N -1 1 391.439 0.796 20 0 GCADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575923314 950660721 /nfs/dbraw/zinc/66/07/21/950660721.db2.gz QVNNKXFDRVANSN-MWLCHTKSSA-N -1 1 381.400 0.659 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574760528 950668992 /nfs/dbraw/zinc/66/89/92/950668992.db2.gz JAUYJIKSEVUNGZ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574760528 950669001 /nfs/dbraw/zinc/66/90/01/950669001.db2.gz JAUYJIKSEVUNGZ-MRVPVSSYSA-N -1 1 392.374 0.900 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576214433 950669311 /nfs/dbraw/zinc/66/93/11/950669311.db2.gz AKNPGUMKFHXJEV-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576214433 950669322 /nfs/dbraw/zinc/66/93/22/950669322.db2.gz AKNPGUMKFHXJEV-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575003106 950671413 /nfs/dbraw/zinc/67/14/13/950671413.db2.gz XZXZZDYBJDPYHC-JTQLQIEISA-N -1 1 381.400 0.607 20 0 GCADMM C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575003106 950671427 /nfs/dbraw/zinc/67/14/27/950671427.db2.gz XZXZZDYBJDPYHC-JTQLQIEISA-N -1 1 381.400 0.607 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001575924350 950671731 /nfs/dbraw/zinc/67/17/31/950671731.db2.gz FFODHTJVMMGXSU-GXSJLCMTSA-N -1 1 391.399 0.643 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760599 950672639 /nfs/dbraw/zinc/67/26/39/950672639.db2.gz JVMMYEQAPCOWNF-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760599 950672655 /nfs/dbraw/zinc/67/26/55/950672655.db2.gz JVMMYEQAPCOWNF-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575924886 950675866 /nfs/dbraw/zinc/67/58/66/950675866.db2.gz FYJZKUUBFSVTLU-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575924886 950675881 /nfs/dbraw/zinc/67/58/81/950675881.db2.gz FYJZKUUBFSVTLU-ZYHUDNBSSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575924871 950676676 /nfs/dbraw/zinc/67/66/76/950676676.db2.gz FYJZKUUBFSVTLU-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575924871 950676694 /nfs/dbraw/zinc/67/66/94/950676694.db2.gz FYJZKUUBFSVTLU-CMPLNLGQSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760760 950680733 /nfs/dbraw/zinc/68/07/33/950680733.db2.gz ZNQLUWSHFBEWAR-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760760 950680750 /nfs/dbraw/zinc/68/07/50/950680750.db2.gz ZNQLUWSHFBEWAR-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573877466 950686090 /nfs/dbraw/zinc/68/60/90/950686090.db2.gz BLOITCFCIWFSFW-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573877466 950686103 /nfs/dbraw/zinc/68/61/03/950686103.db2.gz BLOITCFCIWFSFW-JHJVBQTASA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ncccc1F ZINC001575925572 950687246 /nfs/dbraw/zinc/68/72/46/950687246.db2.gz HNEBSAGKGVKITA-ZYHUDNBSSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ncccc1F ZINC001575925572 950687255 /nfs/dbraw/zinc/68/72/55/950687255.db2.gz HNEBSAGKGVKITA-ZYHUDNBSSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574519628 950689434 /nfs/dbraw/zinc/68/94/34/950689434.db2.gz XFQYBFMPDTZPCB-MRVWCRGKSA-N -1 1 379.428 0.727 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001575625643 950691590 /nfs/dbraw/zinc/69/15/90/950691590.db2.gz SYHAAMFBJNSVGA-NEPJUHHUSA-N -1 1 386.460 0.395 20 0 GCADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001575625643 950691612 /nfs/dbraw/zinc/69/16/12/950691612.db2.gz SYHAAMFBJNSVGA-NEPJUHHUSA-N -1 1 386.460 0.395 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001573877800 950695597 /nfs/dbraw/zinc/69/55/97/950695597.db2.gz GRIGCYGHORYWMK-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@@H]1CCCO1 ZINC001574519738 950696052 /nfs/dbraw/zinc/69/60/52/950696052.db2.gz HVNKZUIRQBMCHR-DKBOKBLXSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@@H]1CCCO1 ZINC001574519738 950696067 /nfs/dbraw/zinc/69/60/67/950696067.db2.gz HVNKZUIRQBMCHR-DKBOKBLXSA-N -1 1 384.444 0.413 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](CO)Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575625667 950696316 /nfs/dbraw/zinc/69/63/16/950696316.db2.gz UOQVKJGPSBKPPD-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM CC1(C)C2CCC1(C(=O)NC[C@H](CO)Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575625667 950696335 /nfs/dbraw/zinc/69/63/35/950696335.db2.gz UOQVKJGPSBKPPD-BJCXPLBRSA-N -1 1 386.460 0.762 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574179079 950697190 /nfs/dbraw/zinc/69/71/90/950697190.db2.gz AHXHMBZEYKKWJT-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574179079 950697203 /nfs/dbraw/zinc/69/72/03/950697203.db2.gz AHXHMBZEYKKWJT-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)n1cccc1 ZINC001574519772 950700018 /nfs/dbraw/zinc/70/00/18/950700018.db2.gz HZRWRTOBAMCLOI-RMRHIDDWSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)n1cccc1 ZINC001574519772 950700039 /nfs/dbraw/zinc/70/00/39/950700039.db2.gz HZRWRTOBAMCLOI-RMRHIDDWSA-N -1 1 379.428 0.660 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926143 950701933 /nfs/dbraw/zinc/70/19/33/950701933.db2.gz IXNWUIHXOLAFDH-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926143 950701947 /nfs/dbraw/zinc/70/19/47/950701947.db2.gz IXNWUIHXOLAFDH-WPRPVWTQSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001574519903 950702929 /nfs/dbraw/zinc/70/29/29/950702929.db2.gz JSHZXXRDVWKNBN-YMEQNVIZSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001574519903 950702937 /nfs/dbraw/zinc/70/29/37/950702937.db2.gz JSHZXXRDVWKNBN-YMEQNVIZSA-N -1 1 380.416 0.055 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574762210 950704480 /nfs/dbraw/zinc/70/44/80/950704480.db2.gz XHWUJAIODNLZIL-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574762210 950704494 /nfs/dbraw/zinc/70/44/94/950704494.db2.gz XHWUJAIODNLZIL-SNVBAGLBSA-N -1 1 380.416 0.897 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574179544 950704939 /nfs/dbraw/zinc/70/49/39/950704939.db2.gz DMAZDCHAELMGCK-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574179544 950704947 /nfs/dbraw/zinc/70/49/47/950704947.db2.gz DMAZDCHAELMGCK-UHFFFAOYSA-N -1 1 375.437 0.079 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215668 950705440 /nfs/dbraw/zinc/70/54/40/950705440.db2.gz FSEGCLBLPPAXSX-QWRGUYRKSA-N -1 1 382.432 0.088 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573878379 950705604 /nfs/dbraw/zinc/70/56/04/950705604.db2.gz OOVOUNSBLITHBT-JHJVBQTASA-N -1 1 386.460 0.400 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573878341 950706012 /nfs/dbraw/zinc/70/60/12/950706012.db2.gz MYQDEKYJDRSGFU-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573878341 950706023 /nfs/dbraw/zinc/70/60/23/950706023.db2.gz MYQDEKYJDRSGFU-YNEHKIRRSA-N -1 1 386.460 0.660 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576215754 950708600 /nfs/dbraw/zinc/70/86/00/950708600.db2.gz GFQSUUDIBVVEFW-ZJUUUORDSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926373 950709326 /nfs/dbraw/zinc/70/93/26/950709326.db2.gz JOHOEWURIXDNOA-GHMZBOCLSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926373 950709337 /nfs/dbraw/zinc/70/93/37/950709337.db2.gz JOHOEWURIXDNOA-GHMZBOCLSA-N -1 1 380.416 0.515 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575926320 950710802 /nfs/dbraw/zinc/71/08/02/950710802.db2.gz JHLXTECSRNMGAN-KOLCDFICSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575926320 950710817 /nfs/dbraw/zinc/71/08/17/950710817.db2.gz JHLXTECSRNMGAN-KOLCDFICSA-N -1 1 388.823 0.608 20 0 GCADMM C[C@@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575006216 950714625 /nfs/dbraw/zinc/71/46/25/950714625.db2.gz SSWVSUYNAQILIS-JTQLQIEISA-N -1 1 391.395 0.563 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576215907 950718897 /nfs/dbraw/zinc/71/88/97/950718897.db2.gz HDFIFAJPQVTMHI-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576215907 950718908 /nfs/dbraw/zinc/71/89/08/950718908.db2.gz HDFIFAJPQVTMHI-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CC(=O)OCc1ccccc1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001574520243 950721020 /nfs/dbraw/zinc/72/10/20/950721020.db2.gz OFSOBGMHPCVJBD-SNVBAGLBSA-N -1 1 385.384 0.600 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575006842 950725624 /nfs/dbraw/zinc/72/56/24/950725624.db2.gz WZOPNYXXXHHISE-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575006842 950725637 /nfs/dbraw/zinc/72/56/37/950725637.db2.gz WZOPNYXXXHHISE-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926919 950728452 /nfs/dbraw/zinc/72/84/52/950728452.db2.gz ZCQKATMNSIBKOK-GXSJLCMTSA-N -1 1 381.400 0.659 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001573879737 950731848 /nfs/dbraw/zinc/73/18/48/950731848.db2.gz KIRAXVCMRHOXDV-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001573879737 950731863 /nfs/dbraw/zinc/73/18/63/950731863.db2.gz KIRAXVCMRHOXDV-JTQLQIEISA-N -1 1 382.432 0.686 20 0 GCADMM CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575629392 950740818 /nfs/dbraw/zinc/74/08/18/950740818.db2.gz NZWMPILKLGIQIB-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575629392 950740830 /nfs/dbraw/zinc/74/08/30/950740830.db2.gz NZWMPILKLGIQIB-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncnc1 ZINC001575927475 950742502 /nfs/dbraw/zinc/74/25/02/950742502.db2.gz PQBFDDDGJMWLBJ-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncnc1 ZINC001575927475 950742520 /nfs/dbraw/zinc/74/25/20/950742520.db2.gz PQBFDDDGJMWLBJ-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574764181 950746766 /nfs/dbraw/zinc/74/67/66/950746766.db2.gz QRCNUMNYYQEREA-NSHDSACASA-N -1 1 382.432 0.184 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574181915 950752294 /nfs/dbraw/zinc/75/22/94/950752294.db2.gz QVMKNRDTKUADDV-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574181915 950752309 /nfs/dbraw/zinc/75/23/09/950752309.db2.gz QVMKNRDTKUADDV-UHFFFAOYSA-N -1 1 389.464 0.104 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764436 950752688 /nfs/dbraw/zinc/75/26/88/950752688.db2.gz SSKPMLOADAJTOD-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764436 950752698 /nfs/dbraw/zinc/75/26/98/950752698.db2.gz SSKPMLOADAJTOD-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764794 950759685 /nfs/dbraw/zinc/75/96/85/950759685.db2.gz YPKZVKRHLKYOJH-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764794 950759695 /nfs/dbraw/zinc/75/96/95/950759695.db2.gz YPKZVKRHLKYOJH-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1nccn1C ZINC001575927867 950760650 /nfs/dbraw/zinc/76/06/50/950760650.db2.gz VKGFCTVGTZBDTA-RYUDHWBXSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764795 950760876 /nfs/dbraw/zinc/76/08/76/950760876.db2.gz YPKZVKRHLKYOJH-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764795 950760892 /nfs/dbraw/zinc/76/08/92/950760892.db2.gz YPKZVKRHLKYOJH-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574764755 950762176 /nfs/dbraw/zinc/76/21/76/950762176.db2.gz XVPWRZUVGQNIPB-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1cnn2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574764755 950762192 /nfs/dbraw/zinc/76/21/92/950762192.db2.gz XVPWRZUVGQNIPB-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM CC(C)(C)c1csc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)n1 ZINC001573883999 950776863 /nfs/dbraw/zinc/77/68/63/950776863.db2.gz BNTXWYRPDDFVHZ-UHFFFAOYSA-N -1 1 376.402 0.522 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573884085 950781669 /nfs/dbraw/zinc/78/16/69/950781669.db2.gz HEBCTQOXUHIDRG-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)co1 ZINC001573884052 950781835 /nfs/dbraw/zinc/78/18/35/950781835.db2.gz FFQRXNPLGYHNNB-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)co1 ZINC001573884052 950781840 /nfs/dbraw/zinc/78/18/40/950781840.db2.gz FFQRXNPLGYHNNB-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576218282 950781796 /nfs/dbraw/zinc/78/17/96/950781796.db2.gz PWEHBNUVNQFESA-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576218282 950781810 /nfs/dbraw/zinc/78/18/10/950781810.db2.gz PWEHBNUVNQFESA-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576218331 950785310 /nfs/dbraw/zinc/78/53/10/950785310.db2.gz QUYMCBMRAOKFFL-WDEREUQCSA-N -1 1 382.432 0.088 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574765528 950791292 /nfs/dbraw/zinc/79/12/92/950791292.db2.gz DNKIKASLTLHTSE-SECBINFHSA-N -1 1 385.457 0.985 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574185024 950793270 /nfs/dbraw/zinc/79/32/70/950793270.db2.gz RMSYICHYPWMWLM-CYBMUJFWSA-N -1 1 376.465 0.739 20 0 GCADMM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574185024 950793279 /nfs/dbraw/zinc/79/32/79/950793279.db2.gz RMSYICHYPWMWLM-CYBMUJFWSA-N -1 1 376.465 0.739 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576218786 950795048 /nfs/dbraw/zinc/79/50/48/950795048.db2.gz RNXBRLKJDVLQLN-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576218786 950795057 /nfs/dbraw/zinc/79/50/57/950795057.db2.gz RNXBRLKJDVLQLN-WDEREUQCSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576218783 950795323 /nfs/dbraw/zinc/79/53/23/950795323.db2.gz RNXBRLKJDVLQLN-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576218783 950795341 /nfs/dbraw/zinc/79/53/41/950795341.db2.gz RNXBRLKJDVLQLN-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765705 950795403 /nfs/dbraw/zinc/79/54/03/950795403.db2.gz JRZQQFGSIZDFIF-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765705 950795420 /nfs/dbraw/zinc/79/54/20/950795420.db2.gz JRZQQFGSIZDFIF-SNVBAGLBSA-N -1 1 382.432 0.831 20 0 GCADMM CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573884572 950796183 /nfs/dbraw/zinc/79/61/83/950796183.db2.gz FQUMHCRSECDFQP-UHFFFAOYSA-N -1 1 382.432 0.474 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884437 950796489 /nfs/dbraw/zinc/79/64/89/950796489.db2.gz MUHHPBDZWTXPFY-JTQLQIEISA-N -1 1 382.432 0.426 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2COCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575632312 950796429 /nfs/dbraw/zinc/79/64/29/950796429.db2.gz HEQBDZZTHDESMI-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)CC(CC(=O)NC[C@H]2COCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575632312 950796438 /nfs/dbraw/zinc/79/64/38/950796438.db2.gz HEQBDZZTHDESMI-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219111 950803249 /nfs/dbraw/zinc/80/32/49/950803249.db2.gz SKHNDIATIIZLTO-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219111 950803260 /nfs/dbraw/zinc/80/32/60/950803260.db2.gz SKHNDIATIIZLTO-QWRGUYRKSA-N -1 1 382.432 0.666 20 0 GCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576219201 950805797 /nfs/dbraw/zinc/80/57/97/950805797.db2.gz SSWAIGOWOMJFNB-BONVTDFDSA-N -1 1 382.432 0.298 20 0 GCADMM CC(C)(C)c1nc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)co1 ZINC001573884740 950806047 /nfs/dbraw/zinc/80/60/47/950806047.db2.gz OICIXPREAJRPJF-UHFFFAOYSA-N -1 1 383.416 0.905 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574766144 950808461 /nfs/dbraw/zinc/80/84/61/950808461.db2.gz KNOVBQVERYXMOA-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574766144 950808483 /nfs/dbraw/zinc/80/84/83/950808483.db2.gz KNOVBQVERYXMOA-MRVPVSSYSA-N -1 1 375.343 0.903 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575931576 950813512 /nfs/dbraw/zinc/81/35/12/950813512.db2.gz IREBHXAOFMATNU-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001575931576 950813531 /nfs/dbraw/zinc/81/35/31/950813531.db2.gz IREBHXAOFMATNU-WCBMZHEXSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001576219840 950815835 /nfs/dbraw/zinc/81/58/35/950815835.db2.gz VIRZPCCMLZSWEL-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001576219840 950815857 /nfs/dbraw/zinc/81/58/57/950815857.db2.gz VIRZPCCMLZSWEL-MNOVXSKESA-N -1 1 382.432 0.666 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573885163 950817024 /nfs/dbraw/zinc/81/70/24/950817024.db2.gz UWSAYMHUBHWWOL-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573885163 950817038 /nfs/dbraw/zinc/81/70/38/950817038.db2.gz UWSAYMHUBHWWOL-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575931965 950817168 /nfs/dbraw/zinc/81/71/68/950817168.db2.gz KEGMOUCPEGNPNQ-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575931965 950817178 /nfs/dbraw/zinc/81/71/78/950817178.db2.gz KEGMOUCPEGNPNQ-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766610 950820078 /nfs/dbraw/zinc/82/00/78/950820078.db2.gz JTIAMXOUGIXZNW-SECBINFHSA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575932238 950822758 /nfs/dbraw/zinc/82/27/58/950822758.db2.gz KZNQDMZZSCFSII-RYUDHWBXSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575932238 950822782 /nfs/dbraw/zinc/82/27/82/950822782.db2.gz KZNQDMZZSCFSII-RYUDHWBXSA-N -1 1 387.448 0.317 20 0 GCADMM C[C@H]1CCc2nc(C(=O)N(C)CCNc3cnc(-c4nnn[n-]4)cn3)cn2C1 ZINC001576220204 950823849 /nfs/dbraw/zinc/82/38/49/950823849.db2.gz WDFSUIUCNHLYCJ-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM C[C@H]1CCc2nc(C(=O)N(C)CCNc3cnc(-c4nn[n-]n4)cn3)cn2C1 ZINC001576220204 950823870 /nfs/dbraw/zinc/82/38/70/950823870.db2.gz WDFSUIUCNHLYCJ-NSHDSACASA-N -1 1 382.432 0.620 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001573885407 950823983 /nfs/dbraw/zinc/82/39/83/950823983.db2.gz RCFBLYLJXJYBHE-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001573885407 950824006 /nfs/dbraw/zinc/82/40/06/950824006.db2.gz RCFBLYLJXJYBHE-SNVBAGLBSA-N -1 1 383.416 0.951 20 0 GCADMM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766807 950826511 /nfs/dbraw/zinc/82/65/11/950826511.db2.gz MKYDECRITPBAFA-SNVBAGLBSA-N -1 1 382.432 0.253 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575932687 950827184 /nfs/dbraw/zinc/82/71/84/950827184.db2.gz LRCYQQHMRJEXRQ-MFKMUULPSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575932687 950827198 /nfs/dbraw/zinc/82/71/98/950827198.db2.gz LRCYQQHMRJEXRQ-MFKMUULPSA-N -1 1 383.391 0.835 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575932751 950831720 /nfs/dbraw/zinc/83/17/20/950831720.db2.gz MMENSLMESQQTDR-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)n(C)n1 ZINC001575932751 950831735 /nfs/dbraw/zinc/83/17/35/950831735.db2.gz MMENSLMESQQTDR-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220280 950832693 /nfs/dbraw/zinc/83/26/93/950832693.db2.gz WXTGGLZYIGWYDS-UWVGGRQHSA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220280 950832713 /nfs/dbraw/zinc/83/27/13/950832713.db2.gz WXTGGLZYIGWYDS-UWVGGRQHSA-N -1 1 382.432 0.735 20 0 GCADMM CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576220598 950837743 /nfs/dbraw/zinc/83/77/43/950837743.db2.gz RRGQIBBEDMSFBW-CYBMUJFWSA-N -1 1 386.460 0.899 20 0 GCADMM CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576220598 950837765 /nfs/dbraw/zinc/83/77/65/950837765.db2.gz RRGQIBBEDMSFBW-CYBMUJFWSA-N -1 1 386.460 0.899 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccc(-c4nnn[n-]4)nn3)c2C1 ZINC001576220886 950840596 /nfs/dbraw/zinc/84/05/96/950840596.db2.gz XOWJBYKDIQFMIX-SNVBAGLBSA-N -1 1 382.432 0.689 20 0 GCADMM C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccc(-c4nn[n-]n4)nn3)c2C1 ZINC001576220886 950840619 /nfs/dbraw/zinc/84/06/19/950840619.db2.gz XOWJBYKDIQFMIX-SNVBAGLBSA-N -1 1 382.432 0.689 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001573887440 950842455 /nfs/dbraw/zinc/84/24/55/950842455.db2.gz ATQNKQJPKNHQKU-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001573887440 950842473 /nfs/dbraw/zinc/84/24/73/950842473.db2.gz ATQNKQJPKNHQKU-VIFPVBQESA-N -1 1 387.404 0.145 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575934196 950850315 /nfs/dbraw/zinc/85/03/15/950850315.db2.gz QQHRBWJMKDEDHO-KOLCDFICSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575934196 950850349 /nfs/dbraw/zinc/85/03/49/950850349.db2.gz QQHRBWJMKDEDHO-KOLCDFICSA-N -1 1 380.416 0.584 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573887986 950861298 /nfs/dbraw/zinc/86/12/98/950861298.db2.gz MHUQTSMLVNKPRS-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573887986 950861315 /nfs/dbraw/zinc/86/13/15/950861315.db2.gz MHUQTSMLVNKPRS-JTQLQIEISA-N -1 1 383.416 0.951 20 0 GCADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573887985 950862509 /nfs/dbraw/zinc/86/25/09/950862509.db2.gz MHISRBCJZLNNGB-SNVBAGLBSA-N -1 1 383.416 0.691 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCOC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639433 950870107 /nfs/dbraw/zinc/87/01/07/950870107.db2.gz BNDKRWBMVBMYFH-CHWSQXEVSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@@H]2CCOC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639433 950870115 /nfs/dbraw/zinc/87/01/15/950870115.db2.gz BNDKRWBMVBMYFH-CHWSQXEVSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575935427 950876454 /nfs/dbraw/zinc/87/64/54/950876454.db2.gz WIMBNZCKTWCKQL-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575935427 950876477 /nfs/dbraw/zinc/87/64/77/950876477.db2.gz WIMBNZCKTWCKQL-PWSUYJOCSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574768029 950880564 /nfs/dbraw/zinc/88/05/64/950880564.db2.gz WVMNKPMKMLXVDV-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574768029 950880581 /nfs/dbraw/zinc/88/05/81/950880581.db2.gz WVMNKPMKMLXVDV-NSHDSACASA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574768352 950891166 /nfs/dbraw/zinc/89/11/66/950891166.db2.gz URBYFBNJDYFPHN-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574768352 950891180 /nfs/dbraw/zinc/89/11/80/950891180.db2.gz URBYFBNJDYFPHN-JTQLQIEISA-N -1 1 384.400 0.895 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1cccnc1 ZINC001575935859 950896463 /nfs/dbraw/zinc/89/64/63/950896463.db2.gz ZXEFDDZEWGKDLH-WCQYABFASA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1cccnc1 ZINC001575935859 950896472 /nfs/dbraw/zinc/89/64/72/950896472.db2.gz ZXEFDDZEWGKDLH-WCQYABFASA-N -1 1 381.400 0.532 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCOC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640722 950901806 /nfs/dbraw/zinc/90/18/06/950901806.db2.gz KBTYRAJRPYNNKX-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CCOC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640722 950901824 /nfs/dbraw/zinc/90/18/24/950901824.db2.gz KBTYRAJRPYNNKX-OLZOCXBDSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(C)n1cnc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001573893810 950903721 /nfs/dbraw/zinc/90/37/21/950903721.db2.gz XQSFIXWOSIKCTP-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC(C)(C)n1cnc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001573893810 950903739 /nfs/dbraw/zinc/90/37/39/950903739.db2.gz XQSFIXWOSIKCTP-UHFFFAOYSA-N -1 1 383.420 0.378 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001573893782 950906115 /nfs/dbraw/zinc/90/61/15/950906115.db2.gz WAIFWCIPMFEHAX-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001573893782 950906132 /nfs/dbraw/zinc/90/61/32/950906132.db2.gz WAIFWCIPMFEHAX-MGCOHNPYSA-N -1 1 383.420 0.376 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227472 950909376 /nfs/dbraw/zinc/90/93/76/950909376.db2.gz CYLDSVDZZWWEPJ-NWDGAFQWSA-N -1 1 390.423 0.824 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227472 950909397 /nfs/dbraw/zinc/90/93/97/950909397.db2.gz CYLDSVDZZWWEPJ-NWDGAFQWSA-N -1 1 390.423 0.824 20 0 GCADMM CC1(C)C[C@H](NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCS1 ZINC001575641014 950909338 /nfs/dbraw/zinc/90/93/38/950909338.db2.gz NRBMXDKDDQBZJI-SECBINFHSA-N -1 1 394.461 0.102 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575936236 950911960 /nfs/dbraw/zinc/91/19/60/950911960.db2.gz DGAGUXYRAAQZSL-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575936236 950911970 /nfs/dbraw/zinc/91/19/70/950911970.db2.gz DGAGUXYRAAQZSL-WDEREUQCSA-N -1 1 387.448 0.220 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573893968 950914771 /nfs/dbraw/zinc/91/47/71/950914771.db2.gz GIYJIEZHWJUQKY-LBPRGKRZSA-N -1 1 382.432 0.935 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573893968 950914783 /nfs/dbraw/zinc/91/47/83/950914783.db2.gz GIYJIEZHWJUQKY-LBPRGKRZSA-N -1 1 382.432 0.935 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccnn1C ZINC001575936695 950923753 /nfs/dbraw/zinc/92/37/53/950923753.db2.gz HRIGFHJRDVPQHP-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccnn1C ZINC001575936695 950923765 /nfs/dbraw/zinc/92/37/65/950923765.db2.gz HRIGFHJRDVPQHP-YPMHNXCESA-N -1 1 382.432 0.424 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC001575936795 950928799 /nfs/dbraw/zinc/92/87/99/950928799.db2.gz IKUMEDCXABIIGR-RYUDHWBXSA-N -1 1 383.420 0.130 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC001575936795 950928824 /nfs/dbraw/zinc/92/88/24/950928824.db2.gz IKUMEDCXABIIGR-RYUDHWBXSA-N -1 1 383.420 0.130 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642038 950931493 /nfs/dbraw/zinc/93/14/93/950931493.db2.gz SXYNFOQGSQZODE-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642038 950931518 /nfs/dbraw/zinc/93/15/18/950931518.db2.gz SXYNFOQGSQZODE-TZMCWYRMSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001573894686 950934025 /nfs/dbraw/zinc/93/40/25/950934025.db2.gz YDXIJIXTRHBXBV-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001573894686 950934041 /nfs/dbraw/zinc/93/40/41/950934041.db2.gz YDXIJIXTRHBXBV-SNVBAGLBSA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)cn1 ZINC001573894542 950934234 /nfs/dbraw/zinc/93/42/34/950934234.db2.gz VUJCNBUSYCDXMQ-UHFFFAOYSA-N -1 1 386.420 0.630 20 0 GCADMM CC(C)(C)n1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)cn1 ZINC001573894542 950934256 /nfs/dbraw/zinc/93/42/56/950934256.db2.gz VUJCNBUSYCDXMQ-UHFFFAOYSA-N -1 1 386.420 0.630 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642558 950946857 /nfs/dbraw/zinc/94/68/57/950946857.db2.gz IKMUGAMHPHJAHA-STQMWFEESA-N -1 1 386.460 0.493 20 0 GCADMM CC1(C)C[C@H]1C(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642558 950946879 /nfs/dbraw/zinc/94/68/79/950946879.db2.gz IKMUGAMHPHJAHA-STQMWFEESA-N -1 1 386.460 0.493 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)O1 ZINC001576228766 950952561 /nfs/dbraw/zinc/95/25/61/950952561.db2.gz KWJSDDXSVAWCGE-XIKOKIGWSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)O1 ZINC001576228766 950952576 /nfs/dbraw/zinc/95/25/76/950952576.db2.gz KWJSDDXSVAWCGE-XIKOKIGWSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643104 950960057 /nfs/dbraw/zinc/96/00/57/950960057.db2.gz XXWIYLYICQUVCD-QWHCGFSZSA-N -1 1 386.460 0.947 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573897807 950963919 /nfs/dbraw/zinc/96/39/19/950963919.db2.gz SXMHHUANQLEABG-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573897807 950963939 /nfs/dbraw/zinc/96/39/39/950963939.db2.gz SXMHHUANQLEABG-QMMMGPOBSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575938144 950970825 /nfs/dbraw/zinc/97/08/25/950970825.db2.gz NFQHIBXBKTWGQV-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575938144 950970837 /nfs/dbraw/zinc/97/08/37/950970837.db2.gz NFQHIBXBKTWGQV-DTWKUNHWSA-N -1 1 388.823 0.759 20 0 GCADMM CC(C)(CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573898332 950975758 /nfs/dbraw/zinc/97/57/58/950975758.db2.gz ZMIYWRZIKDSHJT-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573898332 950975777 /nfs/dbraw/zinc/97/57/77/950975777.db2.gz ZMIYWRZIKDSHJT-SFHVURJKSA-N -1 1 386.460 0.540 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573899537 950979782 /nfs/dbraw/zinc/97/97/82/950979782.db2.gz CNZAGNPQLQHPRF-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573899537 950979796 /nfs/dbraw/zinc/97/97/96/950979796.db2.gz CNZAGNPQLQHPRF-MRVPVSSYSA-N -1 1 388.354 0.524 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccn1 ZINC001575938440 950980382 /nfs/dbraw/zinc/98/03/82/950980382.db2.gz NMANUXWNEZMRCR-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccn1 ZINC001575938440 950980408 /nfs/dbraw/zinc/98/04/08/950980408.db2.gz NMANUXWNEZMRCR-STQMWFEESA-N -1 1 382.432 0.735 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576230012 950984002 /nfs/dbraw/zinc/98/40/02/950984002.db2.gz KXXYJWPJTXKTQV-VXGBXAGGSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576230012 950984016 /nfs/dbraw/zinc/98/40/16/950984016.db2.gz KXXYJWPJTXKTQV-VXGBXAGGSA-N -1 1 390.423 0.682 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576230013 950984188 /nfs/dbraw/zinc/98/41/88/950984188.db2.gz KYKUYOOPZKDHCH-CMPLNLGQSA-N -1 1 376.396 0.434 20 0 GCADMM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576230013 950984206 /nfs/dbraw/zinc/98/42/06/950984206.db2.gz KYKUYOOPZKDHCH-CMPLNLGQSA-N -1 1 376.396 0.434 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573899950 950989063 /nfs/dbraw/zinc/98/90/63/950989063.db2.gz LRJMAJHUCBUVDM-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573899950 950989079 /nfs/dbraw/zinc/98/90/79/950989079.db2.gz LRJMAJHUCBUVDM-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1CC1 ZINC001573900034 950994498 /nfs/dbraw/zinc/99/44/98/950994498.db2.gz PZMOXTPAPZKNJW-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1CC1 ZINC001573900034 950994515 /nfs/dbraw/zinc/99/45/15/950994515.db2.gz PZMOXTPAPZKNJW-ZDUSSCGKSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573899975 950995122 /nfs/dbraw/zinc/99/51/22/950995122.db2.gz NEZFGWSCRUWMME-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM CC(C)(CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573899975 950995143 /nfs/dbraw/zinc/99/51/43/950995143.db2.gz NEZFGWSCRUWMME-CYBMUJFWSA-N -1 1 386.460 0.804 20 0 GCADMM C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001575939107 951005435 /nfs/dbraw/zinc/00/54/35/951005435.db2.gz PAEILLRMZMTILC-QWHCGFSZSA-N -1 1 388.476 0.790 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575018620 951022926 /nfs/dbraw/zinc/02/29/26/951022926.db2.gz MUQSPRSIQHLYRL-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575018620 951022938 /nfs/dbraw/zinc/02/29/38/951022938.db2.gz MUQSPRSIQHLYRL-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575019281 951035016 /nfs/dbraw/zinc/03/50/16/951035016.db2.gz SGSWXZRUEPQREO-SECBINFHSA-N -1 1 389.370 0.889 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575019407 951037814 /nfs/dbraw/zinc/03/78/14/951037814.db2.gz SVDNBFIRAONLRN-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575020183 951054278 /nfs/dbraw/zinc/05/42/78/951054278.db2.gz ZOHZZQKBWAUHRP-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575020183 951054296 /nfs/dbraw/zinc/05/42/96/951054296.db2.gz ZOHZZQKBWAUHRP-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@H](CNC(=O)c1ccc(F)c(F)c1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575023243 951077000 /nfs/dbraw/zinc/07/70/00/951077000.db2.gz LELBXNCLXYCAIO-QMMMGPOBSA-N -1 1 392.345 0.974 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575023872 951086610 /nfs/dbraw/zinc/08/66/10/951086610.db2.gz RGFBDCOOVLKRIN-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575023872 951086615 /nfs/dbraw/zinc/08/66/15/951086615.db2.gz RGFBDCOOVLKRIN-MRVPVSSYSA-N -1 1 387.429 0.072 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024339 951100155 /nfs/dbraw/zinc/10/01/55/951100155.db2.gz BENFSQZUBUBDHZ-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024339 951100165 /nfs/dbraw/zinc/10/01/65/951100165.db2.gz BENFSQZUBUBDHZ-LLVKDONJSA-N -1 1 382.432 0.372 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024415 951101392 /nfs/dbraw/zinc/10/13/92/951101392.db2.gz DEIUTLHJJVJVMW-LLVKDONJSA-N -1 1 380.412 0.846 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1nccnc1-c1nnn[n-]1 ZINC001575024511 951106084 /nfs/dbraw/zinc/10/60/84/951106084.db2.gz FZYSAANMUYJRAS-LLVKDONJSA-N -1 1 379.428 0.879 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1nccnc1-c1nn[n-]n1 ZINC001575024511 951106094 /nfs/dbraw/zinc/10/60/94/951106094.db2.gz FZYSAANMUYJRAS-LLVKDONJSA-N -1 1 379.428 0.879 20 0 GCADMM C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024743 951114745 /nfs/dbraw/zinc/11/47/45/951114745.db2.gz LTHWSGGFXSFXRW-LLVKDONJSA-N -1 1 380.412 0.382 20 0 GCADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001575024882 951117273 /nfs/dbraw/zinc/11/72/73/951117273.db2.gz OTRWBQIXHOQEOX-NSHDSACASA-N -1 1 383.416 0.491 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024972 951121493 /nfs/dbraw/zinc/12/14/93/951121493.db2.gz QWQDKEXYERHIGG-NSHDSACASA-N -1 1 380.412 0.942 20 0 GCADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024972 951121507 /nfs/dbraw/zinc/12/15/07/951121507.db2.gz QWQDKEXYERHIGG-NSHDSACASA-N -1 1 380.412 0.942 20 0 GCADMM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CO1 ZINC001595002085 951142854 /nfs/dbraw/zinc/14/28/54/951142854.db2.gz ROJFOGVZQZDZKY-IXDOHACOSA-N -1 1 383.489 0.169 20 0 GCADMM C[C@H](CNC(=O)c1ccc2nccn2c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575026405 951143682 /nfs/dbraw/zinc/14/36/82/951143682.db2.gz JAKBGPZYFUUYHM-NSHDSACASA-N -1 1 378.400 0.204 20 0 GCADMM CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001575026866 951147865 /nfs/dbraw/zinc/14/78/65/951147865.db2.gz AACFLBRYECIYNQ-LLVKDONJSA-N -1 1 383.416 0.491 20 0 GCADMM CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001575026867 951148443 /nfs/dbraw/zinc/14/84/43/951148443.db2.gz AACFLBRYECIYNQ-NSHDSACASA-N -1 1 383.416 0.491 20 0 GCADMM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027511 951157892 /nfs/dbraw/zinc/15/78/92/951157892.db2.gz RAPYFHDWEAUMLZ-SNVBAGLBSA-N -1 1 381.400 0.010 20 0 GCADMM C[C@@H](CNC(=O)c1cccc2scnc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027980 951164398 /nfs/dbraw/zinc/16/43/98/951164398.db2.gz KIAYNOBPQWWAKY-VIFPVBQESA-N -1 1 381.425 0.919 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575029356 951184120 /nfs/dbraw/zinc/18/41/20/951184120.db2.gz SXVAELOPOPZEJD-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575029356 951184128 /nfs/dbraw/zinc/18/41/28/951184128.db2.gz SXVAELOPOPZEJD-GFCCVEGCSA-N -1 1 381.444 0.977 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575031456 951193447 /nfs/dbraw/zinc/19/34/47/951193447.db2.gz AJLQWQAEUIIOAW-LLVKDONJSA-N -1 1 379.428 0.829 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001575031516 951195670 /nfs/dbraw/zinc/19/56/70/951195670.db2.gz BZXBYGJHBPRRCX-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001575031516 951195680 /nfs/dbraw/zinc/19/56/80/951195680.db2.gz BZXBYGJHBPRRCX-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1cccn2ccnc12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575031595 951198843 /nfs/dbraw/zinc/19/88/43/951198843.db2.gz FAYFHHHOIQIMLF-NSHDSACASA-N -1 1 378.400 0.559 20 0 GCADMM C[C@H](CNC(=O)c1cccn2nccc12)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575031663 951200209 /nfs/dbraw/zinc/20/02/09/951200209.db2.gz GHCJXQMKHNBFHV-NSHDSACASA-N -1 1 378.400 0.782 20 0 GCADMM C[C@H](CNC(=O)c1cccn2nccc12)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575031663 951200217 /nfs/dbraw/zinc/20/02/17/951200217.db2.gz GHCJXQMKHNBFHV-NSHDSACASA-N -1 1 378.400 0.782 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575031988 951213870 /nfs/dbraw/zinc/21/38/70/951213870.db2.gz NOQMODAWQYBGFC-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575031988 951213876 /nfs/dbraw/zinc/21/38/76/951213876.db2.gz NOQMODAWQYBGFC-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575034329 951245059 /nfs/dbraw/zinc/24/50/59/951245059.db2.gz AOFGULCYMCHHPQ-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575034329 951245065 /nfs/dbraw/zinc/24/50/65/951245065.db2.gz AOFGULCYMCHHPQ-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034428 951246935 /nfs/dbraw/zinc/24/69/35/951246935.db2.gz BIVAIGWGKLYDLF-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034428 951246949 /nfs/dbraw/zinc/24/69/49/951246949.db2.gz BIVAIGWGKLYDLF-NSHDSACASA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575034717 951255013 /nfs/dbraw/zinc/25/50/13/951255013.db2.gz CIBZILMMOZWCAT-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575034717 951255023 /nfs/dbraw/zinc/25/50/23/951255023.db2.gz CIBZILMMOZWCAT-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575035530 951276943 /nfs/dbraw/zinc/27/69/43/951276943.db2.gz KALUQBIYIYDAED-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575035530 951276954 /nfs/dbraw/zinc/27/69/54/951276954.db2.gz KALUQBIYIYDAED-LLVKDONJSA-N -1 1 382.432 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575035606 951280194 /nfs/dbraw/zinc/28/01/94/951280194.db2.gz ZAHVEGFJGVJBOK-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575035606 951280206 /nfs/dbraw/zinc/28/02/06/951280206.db2.gz ZAHVEGFJGVJBOK-SECBINFHSA-N -1 1 392.374 0.596 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575036008 951289840 /nfs/dbraw/zinc/28/98/40/951289840.db2.gz OMZRZXVKTMPPON-LLVKDONJSA-N -1 1 384.448 0.508 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575036343 951291380 /nfs/dbraw/zinc/29/13/80/951291380.db2.gz RMQMTMSJIHRIRQ-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575036343 951291389 /nfs/dbraw/zinc/29/13/89/951291389.db2.gz RMQMTMSJIHRIRQ-VIFPVBQESA-N -1 1 392.374 0.373 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])[nH]n1 ZINC001592094279 951296656 /nfs/dbraw/zinc/29/66/56/951296656.db2.gz KSZDNVNGAOKXGA-OIBJUYFYSA-N -1 1 378.307 0.545 20 0 GCADMM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575036667 951296946 /nfs/dbraw/zinc/29/69/46/951296946.db2.gz VMBNBOCFSIAECQ-NSHDSACASA-N -1 1 382.432 0.018 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575040590 951346624 /nfs/dbraw/zinc/34/66/24/951346624.db2.gz ZCFAXTIPCMGGRY-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575040590 951346636 /nfs/dbraw/zinc/34/66/36/951346636.db2.gz ZCFAXTIPCMGGRY-JTQLQIEISA-N -1 1 385.436 0.481 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575041768 951347846 /nfs/dbraw/zinc/34/78/46/951347846.db2.gz BSUYTJCVENETRL-JTQLQIEISA-N -1 1 383.420 0.451 20 0 GCADMM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575041768 951347861 /nfs/dbraw/zinc/34/78/61/951347861.db2.gz BSUYTJCVENETRL-JTQLQIEISA-N -1 1 383.420 0.451 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575041763 951349915 /nfs/dbraw/zinc/34/99/15/951349915.db2.gz BNKGGBJLYBNERA-QMMMGPOBSA-N -1 1 392.374 0.228 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)cn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575042177 951355529 /nfs/dbraw/zinc/35/55/29/951355529.db2.gz GUJPYLZHLBHZBC-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575042368 951360332 /nfs/dbraw/zinc/36/03/32/951360332.db2.gz IQNQNGXFEHDIAY-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575042368 951360347 /nfs/dbraw/zinc/36/03/47/951360347.db2.gz IQNQNGXFEHDIAY-QMMMGPOBSA-N -1 1 376.812 0.298 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575042405 951363275 /nfs/dbraw/zinc/36/32/75/951363275.db2.gz JFPYYUWWBLQSGX-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575042405 951363292 /nfs/dbraw/zinc/36/32/92/951363292.db2.gz JFPYYUWWBLQSGX-JTQLQIEISA-N -1 1 382.432 0.888 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2ccccc2n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575042644 951366836 /nfs/dbraw/zinc/36/68/36/951366836.db2.gz ATWSQPWZQAJNSF-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2ccccc2n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575042644 951366852 /nfs/dbraw/zinc/36/68/52/951366852.db2.gz ATWSQPWZQAJNSF-JTQLQIEISA-N -1 1 376.384 0.830 20 0 GCADMM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575042564 951367781 /nfs/dbraw/zinc/36/77/81/951367781.db2.gz AFZWKYCMEGHLMN-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575042564 951367790 /nfs/dbraw/zinc/36/77/90/951367790.db2.gz AFZWKYCMEGHLMN-YFKPBYRVSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575042681 951369499 /nfs/dbraw/zinc/36/94/99/951369499.db2.gz MISQTIKIPVSKNN-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575042681 951369511 /nfs/dbraw/zinc/36/95/11/951369511.db2.gz MISQTIKIPVSKNN-JTQLQIEISA-N -1 1 382.432 0.746 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575042921 951377068 /nfs/dbraw/zinc/37/70/68/951377068.db2.gz NDNLJYJSRXRGCM-JTQLQIEISA-N -1 1 382.432 0.168 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)cn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575043342 951391249 /nfs/dbraw/zinc/39/12/49/951391249.db2.gz QQSIUFXDENXPDC-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)cn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575043342 951391257 /nfs/dbraw/zinc/39/12/57/951391257.db2.gz QQSIUFXDENXPDC-SSDOTTSWSA-N -1 1 381.853 0.965 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575043534 951397812 /nfs/dbraw/zinc/39/78/12/951397812.db2.gz TUMZOLSJQUGIPG-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575043534 951397827 /nfs/dbraw/zinc/39/78/27/951397827.db2.gz TUMZOLSJQUGIPG-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575043667 951399551 /nfs/dbraw/zinc/39/95/51/951399551.db2.gz LMYDGNXQINFOGO-SECBINFHSA-N -1 1 385.457 0.718 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043815 951403097 /nfs/dbraw/zinc/40/30/97/951403097.db2.gz VTHIQGVBDNZJAY-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043815 951403102 /nfs/dbraw/zinc/40/31/02/951403102.db2.gz VTHIQGVBDNZJAY-SSDOTTSWSA-N -1 1 378.347 0.558 20 0 GCADMM C[C@H](CNC(=O)c1cnc2cc[nH]c2c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575044300 951412642 /nfs/dbraw/zinc/41/26/42/951412642.db2.gz RBPZHCBNZROFMA-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H](CNC(=O)c1cnc2cc[nH]c2c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575044300 951412647 /nfs/dbraw/zinc/41/26/47/951412647.db2.gz RBPZHCBNZROFMA-SNVBAGLBSA-N -1 1 378.400 0.788 20 0 GCADMM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575044808 951417858 /nfs/dbraw/zinc/41/78/58/951417858.db2.gz VLEDULDPMGBWTG-RXMQYKEDSA-N -1 1 381.809 0.703 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575044928 951420957 /nfs/dbraw/zinc/42/09/57/951420957.db2.gz XQPYJQOQNXONGS-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575044928 951420963 /nfs/dbraw/zinc/42/09/63/951420963.db2.gz XQPYJQOQNXONGS-GHMZBOCLSA-N -1 1 382.432 0.981 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1nccnc1-c1nnn[n-]1 ZINC001575044958 951422647 /nfs/dbraw/zinc/42/26/47/951422647.db2.gz YBQNYMMFNXSSKV-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1nccnc1-c1nn[n-]n1 ZINC001575044958 951422656 /nfs/dbraw/zinc/42/26/56/951422656.db2.gz YBQNYMMFNXSSKV-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575045406 951427822 /nfs/dbraw/zinc/42/78/22/951427822.db2.gz BUADVCGZHJNJST-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575045406 951427832 /nfs/dbraw/zinc/42/78/32/951427832.db2.gz BUADVCGZHJNJST-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cncnc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575046262 951438867 /nfs/dbraw/zinc/43/88/67/951438867.db2.gz MEZOLTDHONLUQH-JTQLQIEISA-N -1 1 380.416 0.224 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575046839 951448502 /nfs/dbraw/zinc/44/85/02/951448502.db2.gz UNUQRPNDXVWQDQ-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575046839 951448508 /nfs/dbraw/zinc/44/85/08/951448508.db2.gz UNUQRPNDXVWQDQ-LLVKDONJSA-N -1 1 382.432 0.668 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575051886 951454415 /nfs/dbraw/zinc/45/44/15/951454415.db2.gz AIHTXXRKNNPJDD-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575051886 951454423 /nfs/dbraw/zinc/45/44/23/951454423.db2.gz AIHTXXRKNNPJDD-MRVPVSSYSA-N -1 1 378.347 0.503 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575052480 951466808 /nfs/dbraw/zinc/46/68/08/951466808.db2.gz JZQRJVJFUWPOSH-NSHDSACASA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575052480 951466819 /nfs/dbraw/zinc/46/68/19/951466819.db2.gz JZQRJVJFUWPOSH-NSHDSACASA-N -1 1 382.432 0.741 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575052789 951471807 /nfs/dbraw/zinc/47/18/07/951471807.db2.gz OHRSEFZNSRDWOV-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575052789 951471825 /nfs/dbraw/zinc/47/18/25/951471825.db2.gz OHRSEFZNSRDWOV-SNVBAGLBSA-N -1 1 382.432 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575053626 951478484 /nfs/dbraw/zinc/47/84/84/951478484.db2.gz SKMLQVRQOLUPKS-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575053626 951478491 /nfs/dbraw/zinc/47/84/91/951478491.db2.gz SKMLQVRQOLUPKS-NSHDSACASA-N -1 1 382.432 0.833 20 0 GCADMM CC(C)n1ncc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1Cl ZINC001575053662 951481778 /nfs/dbraw/zinc/48/17/78/951481778.db2.gz TUZVDKOPYBUUMI-VIFPVBQESA-N -1 1 390.839 0.740 20 0 GCADMM C[C@H](CNC(=O)c1cnnn1C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575053778 951483182 /nfs/dbraw/zinc/48/31/82/951483182.db2.gz DVJPGMCKAJWMRQ-ZCFIWIBFSA-N -1 1 382.841 0.360 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575053757 951484630 /nfs/dbraw/zinc/48/46/30/951484630.db2.gz DOWDZVUPHRVRDJ-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575053757 951484641 /nfs/dbraw/zinc/48/46/41/951484641.db2.gz DOWDZVUPHRVRDJ-JTQLQIEISA-N -1 1 384.404 0.114 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575055399 951505158 /nfs/dbraw/zinc/50/51/58/951505158.db2.gz SIEVAKSVUPKIJR-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@@H](CNC(=O)c1cnnn1C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575055399 951505163 /nfs/dbraw/zinc/50/51/63/951505163.db2.gz SIEVAKSVUPKIJR-LURJTMIESA-N -1 1 382.841 0.583 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575055640 951511512 /nfs/dbraw/zinc/51/15/12/951511512.db2.gz YRWHTFMWECFQGW-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575055640 951511522 /nfs/dbraw/zinc/51/15/22/951511522.db2.gz YRWHTFMWECFQGW-LLVKDONJSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575056311 951518251 /nfs/dbraw/zinc/51/82/51/951518251.db2.gz HCRJHEHWZBWGTN-SNVBAGLBSA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575056311 951518260 /nfs/dbraw/zinc/51/82/60/951518260.db2.gz HCRJHEHWZBWGTN-SNVBAGLBSA-N -1 1 383.416 0.852 20 0 GCADMM C[C@H](CNC(=O)c1conc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575056422 951519732 /nfs/dbraw/zinc/51/97/32/951519732.db2.gz IZNNKFNMXQVWGV-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1conc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575056422 951519737 /nfs/dbraw/zinc/51/97/37/951519737.db2.gz IZNNKFNMXQVWGV-ZCFIWIBFSA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1conc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575056995 951524470 /nfs/dbraw/zinc/52/44/70/951524470.db2.gz NOYILEDJQYZJDZ-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1conc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575056995 951524476 /nfs/dbraw/zinc/52/44/76/951524476.db2.gz NOYILEDJQYZJDZ-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575057331 951527038 /nfs/dbraw/zinc/52/70/38/951527038.db2.gz OCHCGUIJTMNFNT-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575057331 951527048 /nfs/dbraw/zinc/52/70/48/951527048.db2.gz OCHCGUIJTMNFNT-LURJTMIESA-N -1 1 383.294 0.894 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575061929 951564218 /nfs/dbraw/zinc/56/42/18/951564218.db2.gz RFUCVNOTMJVJOO-SNVBAGLBSA-N -1 1 382.432 0.879 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575061929 951564223 /nfs/dbraw/zinc/56/42/23/951564223.db2.gz RFUCVNOTMJVJOO-SNVBAGLBSA-N -1 1 382.432 0.879 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575061904 951564630 /nfs/dbraw/zinc/56/46/30/951564630.db2.gz QOUHSIDPQBODDM-SNVBAGLBSA-N -1 1 382.432 0.513 20 0 GCADMM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575061904 951564637 /nfs/dbraw/zinc/56/46/37/951564637.db2.gz QOUHSIDPQBODDM-SNVBAGLBSA-N -1 1 382.432 0.513 20 0 GCADMM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575062812 951571043 /nfs/dbraw/zinc/57/10/43/951571043.db2.gz YVFPEHBSVACRBE-JTQLQIEISA-N -1 1 382.432 0.513 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575064661 951576828 /nfs/dbraw/zinc/57/68/28/951576828.db2.gz CCVYDSGPKGZQAE-GXSJLCMTSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575064661 951576839 /nfs/dbraw/zinc/57/68/39/951576839.db2.gz CCVYDSGPKGZQAE-GXSJLCMTSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575065265 951581811 /nfs/dbraw/zinc/58/18/11/951581811.db2.gz AZSAIGKDLVFQNC-JTQLQIEISA-N -1 1 385.436 0.258 20 0 GCADMM C[C@H](CNC(=O)c1nccnc1N)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065263 951581995 /nfs/dbraw/zinc/58/19/95/951581995.db2.gz AWRWZPHCJAWRNX-RXMQYKEDSA-N -1 1 380.825 0.579 20 0 GCADMM C[C@H](CNC(=O)c1nccnc1N)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065263 951581999 /nfs/dbraw/zinc/58/19/99/951581999.db2.gz AWRWZPHCJAWRNX-RXMQYKEDSA-N -1 1 380.825 0.579 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065356 951584097 /nfs/dbraw/zinc/58/40/97/951584097.db2.gz GLMKVMYFBCIGDS-SSDOTTSWSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065356 951584107 /nfs/dbraw/zinc/58/41/07/951584107.db2.gz GLMKVMYFBCIGDS-SSDOTTSWSA-N -1 1 379.331 0.837 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575066118 951592580 /nfs/dbraw/zinc/59/25/80/951592580.db2.gz FREQFVUSPCADAB-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575066118 951592588 /nfs/dbraw/zinc/59/25/88/951592588.db2.gz FREQFVUSPCADAB-SNVBAGLBSA-N -1 1 385.436 0.481 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575067284 951607198 /nfs/dbraw/zinc/60/71/98/951607198.db2.gz QFKBWMCBQPVXDH-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1nn(C)cc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575067284 951607204 /nfs/dbraw/zinc/60/72/04/951607204.db2.gz QFKBWMCBQPVXDH-MRVPVSSYSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575067309 951608843 /nfs/dbraw/zinc/60/88/43/951608843.db2.gz RCBRBNGWJKQZKX-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1noc2c1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575067309 951608853 /nfs/dbraw/zinc/60/88/53/951608853.db2.gz RCBRBNGWJKQZKX-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575067433 951610958 /nfs/dbraw/zinc/61/09/58/951610958.db2.gz SMQGUPKNCIDHMW-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@H](CNC(=O)c1nn(C)cc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575067433 951610970 /nfs/dbraw/zinc/61/09/70/951610970.db2.gz SMQGUPKNCIDHMW-QMMMGPOBSA-N -1 1 376.812 0.522 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1nccnc1-c1nnn[n-]1 ZINC001575067657 951618605 /nfs/dbraw/zinc/61/86/05/951618605.db2.gz WWAURPCAOOYLDK-VHSXEESVSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1nccnc1-c1nn[n-]n1 ZINC001575067657 951618611 /nfs/dbraw/zinc/61/86/11/951618611.db2.gz WWAURPCAOOYLDK-VHSXEESVSA-N -1 1 385.388 0.727 20 0 GCADMM C[C@H](CNC(=O)c1nncc2ccccc21)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067743 951621645 /nfs/dbraw/zinc/62/16/45/951621645.db2.gz XNBNBURGFMIZRC-NSHDSACASA-N -1 1 390.411 0.500 20 0 GCADMM C[C@H](CNC(=O)c1ncc2ccccn21)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068064 951629159 /nfs/dbraw/zinc/62/91/59/951629159.db2.gz WQRFWZVCBYNRFP-LLVKDONJSA-N -1 1 378.400 0.559 20 0 GCADMM C[C@H](CNC(=O)c1ncc2ccccn21)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068064 951629163 /nfs/dbraw/zinc/62/91/63/951629163.db2.gz WQRFWZVCBYNRFP-LLVKDONJSA-N -1 1 378.400 0.559 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575069080 951640852 /nfs/dbraw/zinc/64/08/52/951640852.db2.gz GAGPTMBCSLJHTR-MRVPVSSYSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@H](CNC(=O)c1snnc1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575069080 951640857 /nfs/dbraw/zinc/64/08/57/951640857.db2.gz GAGPTMBCSLJHTR-MRVPVSSYSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575069830 951645177 /nfs/dbraw/zinc/64/51/77/951645177.db2.gz LPVJEEALDFDLTN-QMMMGPOBSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@@H](CNC(=O)c1snnc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575069830 951645187 /nfs/dbraw/zinc/64/51/87/951645187.db2.gz LPVJEEALDFDLTN-QMMMGPOBSA-N -1 1 386.445 0.640 20 0 GCADMM C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575070594 951652294 /nfs/dbraw/zinc/65/22/94/951652294.db2.gz SBDGQDNNTUZALY-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575070594 951652297 /nfs/dbraw/zinc/65/22/97/951652297.db2.gz SBDGQDNNTUZALY-SNVBAGLBSA-N -1 1 383.416 0.778 20 0 GCADMM O=C([O-])CN1CCC[C@H](C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)C1=O ZINC001595082955 951704312 /nfs/dbraw/zinc/70/43/12/951704312.db2.gz IGTPWBBDTRSEEI-CVEARBPZSA-N -1 1 377.416 0.492 20 0 GCADMM O=C([O-])CN1CCC[C@@H](C(=O)N2CCC(CCN3CCOCC3)CC2)C1=O ZINC001595085446 951722382 /nfs/dbraw/zinc/72/23/82/951722382.db2.gz ADQBPBKEOYVIQA-INIZCTEOSA-N -1 1 381.473 0.271 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)C2CCC(N3CCOCC3)CC2)C1=O ZINC001595089793 951760484 /nfs/dbraw/zinc/76/04/84/951760484.db2.gz ICALMZSBSPUTDN-GPANFISMSA-N -1 1 381.473 0.459 20 0 GCADMM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCC[C@H](N3CCOCC3)CC2)C1=O ZINC001595091742 951782907 /nfs/dbraw/zinc/78/29/07/951782907.db2.gz UMNPOEWIBDOYRK-HOTGVXAUSA-N -1 1 396.488 0.348 20 0 GCADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575127894 952060927 /nfs/dbraw/zinc/06/09/27/952060927.db2.gz DDYRCYRTEQPKNI-MRXNPFEDSA-N -1 1 382.388 0.163 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575129628 952084773 /nfs/dbraw/zinc/08/47/73/952084773.db2.gz XRNZVHZTCPMRAY-PXAZEXFGSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575129628 952084782 /nfs/dbraw/zinc/08/47/82/952084782.db2.gz XRNZVHZTCPMRAY-PXAZEXFGSA-N -1 1 388.432 0.159 20 0 GCADMM O=C([O-])Cn1cc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)nn1 ZINC001595141722 952085003 /nfs/dbraw/zinc/08/50/03/952085003.db2.gz DKRXHZMSZGCVTI-IRXDYDNUSA-N -1 1 385.424 0.478 20 0 GCADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575129669 952087270 /nfs/dbraw/zinc/08/72/70/952087270.db2.gz YIASLHJJLJWDKO-QGHHPUGFSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575129669 952087275 /nfs/dbraw/zinc/08/72/75/952087275.db2.gz YIASLHJJLJWDKO-QGHHPUGFSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575131730 952088581 /nfs/dbraw/zinc/08/85/81/952088581.db2.gz ATUPONTVHYPQEX-QWRGUYRKSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575132521 952092801 /nfs/dbraw/zinc/09/28/01/952092801.db2.gz FXCIOHAXSICACC-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575132521 952092810 /nfs/dbraw/zinc/09/28/10/952092810.db2.gz FXCIOHAXSICACC-LLVKDONJSA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575132562 952096216 /nfs/dbraw/zinc/09/62/16/952096216.db2.gz GGFAXMMLSPQOKF-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575132562 952096224 /nfs/dbraw/zinc/09/62/24/952096224.db2.gz GGFAXMMLSPQOKF-YPMHNXCESA-N -1 1 379.428 0.726 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575132907 952100601 /nfs/dbraw/zinc/10/06/01/952100601.db2.gz IHMAZXGESOGNJG-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575132907 952100609 /nfs/dbraw/zinc/10/06/09/952100609.db2.gz IHMAZXGESOGNJG-JTQLQIEISA-N -1 1 382.432 0.452 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575133288 952102378 /nfs/dbraw/zinc/10/23/78/952102378.db2.gz DIPCORZVTULUEG-ACJLOTCBSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575134066 952107457 /nfs/dbraw/zinc/10/74/57/952107457.db2.gz LWALEPIDEWLXQG-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575134066 952107461 /nfs/dbraw/zinc/10/74/61/952107461.db2.gz LWALEPIDEWLXQG-DIFFPNOSSA-N -1 1 387.448 0.364 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575133761 952107952 /nfs/dbraw/zinc/10/79/52/952107952.db2.gz GOXOUHSQRLVNER-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575133761 952107956 /nfs/dbraw/zinc/10/79/56/952107956.db2.gz GOXOUHSQRLVNER-JTQLQIEISA-N -1 1 382.432 0.831 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575134384 952110587 /nfs/dbraw/zinc/11/05/87/952110587.db2.gz HNQWJPZHXZIPBE-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575134384 952110593 /nfs/dbraw/zinc/11/05/93/952110593.db2.gz HNQWJPZHXZIPBE-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575134991 952113430 /nfs/dbraw/zinc/11/34/30/952113430.db2.gz JJEIDTZKLYXRIC-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575134991 952113438 /nfs/dbraw/zinc/11/34/38/952113438.db2.gz JJEIDTZKLYXRIC-JTQLQIEISA-N -1 1 380.416 0.897 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575135299 952116775 /nfs/dbraw/zinc/11/67/75/952116775.db2.gz QHADBPGOFNPYBZ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575135299 952116788 /nfs/dbraw/zinc/11/67/88/952116788.db2.gz QHADBPGOFNPYBZ-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575135570 952118829 /nfs/dbraw/zinc/11/88/29/952118829.db2.gz LKHSQBFXIRHJLW-XIKOKIGWSA-N -1 1 386.460 0.592 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575135899 952122521 /nfs/dbraw/zinc/12/25/21/952122521.db2.gz SXXHYNFLXRCMQS-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575135899 952122529 /nfs/dbraw/zinc/12/25/29/952122529.db2.gz SXXHYNFLXRCMQS-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575136458 952125707 /nfs/dbraw/zinc/12/57/07/952125707.db2.gz VKZJXXFTKCKWTM-HNNXBMFYSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575136755 952126984 /nfs/dbraw/zinc/12/69/84/952126984.db2.gz WKXFZQCHVBZGKC-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575136755 952126990 /nfs/dbraw/zinc/12/69/90/952126990.db2.gz WKXFZQCHVBZGKC-SECBINFHSA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575136756 952127620 /nfs/dbraw/zinc/12/76/20/952127620.db2.gz WKXFZQCHVBZGKC-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575136756 952127626 /nfs/dbraw/zinc/12/76/26/952127626.db2.gz WKXFZQCHVBZGKC-VIFPVBQESA-N -1 1 392.374 0.750 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575136813 952127757 /nfs/dbraw/zinc/12/77/57/952127757.db2.gz XFXGUSKUCCHIJY-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575136813 952127767 /nfs/dbraw/zinc/12/77/67/952127767.db2.gz XFXGUSKUCCHIJY-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575136850 952129069 /nfs/dbraw/zinc/12/90/69/952129069.db2.gz QEBCBOPHROVANG-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575136850 952129072 /nfs/dbraw/zinc/12/90/72/952129072.db2.gz QEBCBOPHROVANG-JTQLQIEISA-N -1 1 385.436 0.576 20 0 GCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575136994 952132333 /nfs/dbraw/zinc/13/23/33/952132333.db2.gz YXRXYTNPQNFXIO-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575136994 952132337 /nfs/dbraw/zinc/13/23/37/952132337.db2.gz YXRXYTNPQNFXIO-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575139856 952142284 /nfs/dbraw/zinc/14/22/84/952142284.db2.gz CQAKWWHEIJCPEZ-OLZOCXBDSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575142729 952147822 /nfs/dbraw/zinc/14/78/22/952147822.db2.gz LESOBEQOOHVWBP-QWHCGFSZSA-N -1 1 388.476 0.933 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575143138 952150297 /nfs/dbraw/zinc/15/02/97/952150297.db2.gz NWEXQAUNLQJQPR-UGSOOPFHSA-N -1 1 386.460 0.735 20 0 GCADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575143650 952156699 /nfs/dbraw/zinc/15/66/99/952156699.db2.gz QKSVFAALTHAVPS-KRWDZBQOSA-N -1 1 381.400 0.190 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575143846 952157513 /nfs/dbraw/zinc/15/75/13/952157513.db2.gz CYQFNRWHQXDYKY-MRVPVSSYSA-N -1 1 392.374 0.322 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575144008 952161239 /nfs/dbraw/zinc/16/12/39/952161239.db2.gz FHDVTDCRCRACEU-VIFPVBQESA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575144176 952162515 /nfs/dbraw/zinc/16/25/15/952162515.db2.gz GWLYRURQIAVSHU-SNVBAGLBSA-N -1 1 384.400 0.317 20 0 GCADMM CC(C)(C)OC(=O)N1CCOC[C@H](N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001602893225 971808345 /nfs/dbraw/zinc/80/83/45/971808345.db2.gz PMGHYCYENLXPEL-KGLIPLIRSA-N -1 1 385.461 0.678 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575144428 952165927 /nfs/dbraw/zinc/16/59/27/952165927.db2.gz IJRGKTFQFJHNBS-NSHDSACASA-N -1 1 382.432 0.184 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575144731 952170175 /nfs/dbraw/zinc/17/01/75/952170175.db2.gz XRIDYMAPQXGHPL-FPMFFAJLSA-N -1 1 379.428 0.536 20 0 GCADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575144710 952170733 /nfs/dbraw/zinc/17/07/33/952170733.db2.gz XNBKIIAAMAEZEV-QGZVFWFLSA-N -1 1 382.432 0.062 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575144873 952173328 /nfs/dbraw/zinc/17/33/28/952173328.db2.gz MYXOFBWEXQIGKX-SECBINFHSA-N -1 1 385.457 0.985 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575144939 952176090 /nfs/dbraw/zinc/17/60/90/952176090.db2.gz NSZYTXBUBNQWBB-SNVBAGLBSA-N -1 1 380.416 0.319 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575145112 952178470 /nfs/dbraw/zinc/17/84/70/952178470.db2.gz QGWKGEXEYYTLCB-SNVBAGLBSA-N -1 1 384.448 0.672 20 0 GCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575145338 952182720 /nfs/dbraw/zinc/18/27/20/952182720.db2.gz VWDAGFKSECLTBO-ZETCQYMHSA-N -1 1 379.837 0.761 20 0 GCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575145541 952186248 /nfs/dbraw/zinc/18/62/48/952186248.db2.gz ZQDHCUDUXUVOOC-LLVKDONJSA-N -1 1 382.432 0.573 20 0 GCADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575146861 952197814 /nfs/dbraw/zinc/19/78/14/952197814.db2.gz PDFNFEDRAHNBMJ-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575146861 952197820 /nfs/dbraw/zinc/19/78/20/952197820.db2.gz PDFNFEDRAHNBMJ-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575153206 952206425 /nfs/dbraw/zinc/20/64/25/952206425.db2.gz FFGIYPRVCQHERH-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575153206 952206431 /nfs/dbraw/zinc/20/64/31/952206431.db2.gz FFGIYPRVCQHERH-NSHDSACASA-N -1 1 389.464 0.468 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575153352 952208906 /nfs/dbraw/zinc/20/89/06/952208906.db2.gz GRKHGRRMEWAWGW-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575153352 952208913 /nfs/dbraw/zinc/20/89/13/952208913.db2.gz GRKHGRRMEWAWGW-XHDPSFHLSA-N -1 1 380.412 0.919 20 0 GCADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575153703 952211624 /nfs/dbraw/zinc/21/16/24/952211624.db2.gz JTAGTICBOPREPC-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575153703 952211628 /nfs/dbraw/zinc/21/16/28/952211628.db2.gz JTAGTICBOPREPC-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575153863 952213532 /nfs/dbraw/zinc/21/35/32/952213532.db2.gz LQLZGXIRKHCPQS-HNNXBMFYSA-N -1 1 387.429 0.829 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575153947 952214372 /nfs/dbraw/zinc/21/43/72/952214372.db2.gz MLWQIQCBZMSHAH-WDEREUQCSA-N -1 1 382.432 0.444 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575153974 952214968 /nfs/dbraw/zinc/21/49/68/952214968.db2.gz MYEMTHVBEUUHGJ-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575153974 952214971 /nfs/dbraw/zinc/21/49/71/952214971.db2.gz MYEMTHVBEUUHGJ-VHSXEESVSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575154172 952216506 /nfs/dbraw/zinc/21/65/06/952216506.db2.gz PNJIDGYBONOFFE-MNOVXSKESA-N -1 1 382.432 0.444 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575154450 952222952 /nfs/dbraw/zinc/22/29/52/952222952.db2.gz DPBMHXJOTHFZFF-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575154450 952222956 /nfs/dbraw/zinc/22/29/56/952222956.db2.gz DPBMHXJOTHFZFF-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575154449 952223604 /nfs/dbraw/zinc/22/36/04/952223604.db2.gz DPBMHXJOTHFZFF-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575154449 952223607 /nfs/dbraw/zinc/22/36/07/952223607.db2.gz DPBMHXJOTHFZFF-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575154427 952224357 /nfs/dbraw/zinc/22/43/57/952224357.db2.gz CTDNJWLDVWIJGG-GOSISDBHSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575154427 952224362 /nfs/dbraw/zinc/22/43/62/952224362.db2.gz CTDNJWLDVWIJGG-GOSISDBHSA-N -1 1 379.428 0.991 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575154438 952224406 /nfs/dbraw/zinc/22/44/06/952224406.db2.gz DFYHHVJXIDDPCO-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575154438 952224409 /nfs/dbraw/zinc/22/44/09/952224409.db2.gz DFYHHVJXIDDPCO-PIGZYNQJSA-N -1 1 385.432 0.022 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575154606 952227266 /nfs/dbraw/zinc/22/72/66/952227266.db2.gz FOEDGKAWYOIKQP-BTDLBPIBSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575154606 952227272 /nfs/dbraw/zinc/22/72/72/952227272.db2.gz FOEDGKAWYOIKQP-BTDLBPIBSA-N -1 1 386.416 0.307 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575155276 952236052 /nfs/dbraw/zinc/23/60/52/952236052.db2.gz KKFWLTGWNPFZKM-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575155276 952236057 /nfs/dbraw/zinc/23/60/57/952236057.db2.gz KKFWLTGWNPFZKM-MRVPVSSYSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575155278 952236193 /nfs/dbraw/zinc/23/61/93/952236193.db2.gz KKFWLTGWNPFZKM-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575155278 952236200 /nfs/dbraw/zinc/23/62/00/952236200.db2.gz KKFWLTGWNPFZKM-QMMMGPOBSA-N -1 1 376.812 0.616 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575155555 952241771 /nfs/dbraw/zinc/24/17/71/952241771.db2.gz NGMRWMSVHUZYDP-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575155555 952241776 /nfs/dbraw/zinc/24/17/76/952241776.db2.gz NGMRWMSVHUZYDP-KRWDZBQOSA-N -1 1 381.400 0.768 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575156025 952246971 /nfs/dbraw/zinc/24/69/71/952246971.db2.gz BMHFNBKJJMMJOR-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575156025 952246975 /nfs/dbraw/zinc/24/69/75/952246975.db2.gz BMHFNBKJJMMJOR-NSHDSACASA-N -1 1 375.437 0.174 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575155983 952246988 /nfs/dbraw/zinc/24/69/88/952246988.db2.gz BFCKCOWSFDGDDM-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575155983 952246993 /nfs/dbraw/zinc/24/69/93/952246993.db2.gz BFCKCOWSFDGDDM-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001575156283 952250433 /nfs/dbraw/zinc/25/04/33/952250433.db2.gz SCMGNJNIHADVAJ-BNFDBDBQSA-N -1 1 396.455 0.777 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001575156283 952250439 /nfs/dbraw/zinc/25/04/39/952250439.db2.gz SCMGNJNIHADVAJ-BNFDBDBQSA-N -1 1 396.455 0.777 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575156421 952252204 /nfs/dbraw/zinc/25/22/04/952252204.db2.gz FMPGMQCGRHOYKV-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575156421 952252208 /nfs/dbraw/zinc/25/22/08/952252208.db2.gz FMPGMQCGRHOYKV-VXGBXAGGSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575156508 952253893 /nfs/dbraw/zinc/25/38/93/952253893.db2.gz SSDHKCZHRAXZFP-LPSAFJIBSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575156508 952253897 /nfs/dbraw/zinc/25/38/97/952253897.db2.gz SSDHKCZHRAXZFP-LPSAFJIBSA-N -1 1 386.460 0.905 20 0 GCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575156849 952257563 /nfs/dbraw/zinc/25/75/63/952257563.db2.gz WPEOEPCCVQSSLC-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575156849 952257569 /nfs/dbraw/zinc/25/75/69/952257569.db2.gz WPEOEPCCVQSSLC-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575156850 952258157 /nfs/dbraw/zinc/25/81/57/952258157.db2.gz WPEOEPCCVQSSLC-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575156850 952258161 /nfs/dbraw/zinc/25/81/61/952258161.db2.gz WPEOEPCCVQSSLC-SNVBAGLBSA-N -1 1 384.404 0.208 20 0 GCADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575157195 952260924 /nfs/dbraw/zinc/26/09/24/952260924.db2.gz XWCSFDANADTRSK-LSIMKLPESA-N -1 1 384.444 0.921 20 0 GCADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575157195 952260931 /nfs/dbraw/zinc/26/09/31/952260931.db2.gz XWCSFDANADTRSK-LSIMKLPESA-N -1 1 384.444 0.921 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575158408 952271134 /nfs/dbraw/zinc/27/11/34/952271134.db2.gz UVALAGSIKXAFMA-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575158408 952271141 /nfs/dbraw/zinc/27/11/41/952271141.db2.gz UVALAGSIKXAFMA-SNVBAGLBSA-N -1 1 381.400 0.328 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575158982 952274873 /nfs/dbraw/zinc/27/48/73/952274873.db2.gz XUXOQVBJCBUHQX-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575158982 952274878 /nfs/dbraw/zinc/27/48/78/952274878.db2.gz XUXOQVBJCBUHQX-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575159069 952276703 /nfs/dbraw/zinc/27/67/03/952276703.db2.gz YNNHOOHOVXKFGD-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575159069 952276708 /nfs/dbraw/zinc/27/67/08/952276708.db2.gz YNNHOOHOVXKFGD-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575159291 952276748 /nfs/dbraw/zinc/27/67/48/952276748.db2.gz ZROAILDJRZFDQR-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575159291 952276754 /nfs/dbraw/zinc/27/67/54/952276754.db2.gz ZROAILDJRZFDQR-UWVGGRQHSA-N -1 1 383.420 0.154 20 0 GCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575159067 952277272 /nfs/dbraw/zinc/27/72/72/952277272.db2.gz YNNHOOHOVXKFGD-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575159067 952277277 /nfs/dbraw/zinc/27/72/77/952277277.db2.gz YNNHOOHOVXKFGD-SECBINFHSA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnnn1C ZINC001575164367 952291956 /nfs/dbraw/zinc/29/19/56/952291956.db2.gz DRBOAMSTLGEGIE-LURJTMIESA-N -1 1 382.841 0.678 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575164705 952297055 /nfs/dbraw/zinc/29/70/55/952297055.db2.gz GRIWJQFCZGYTAU-XVMARJQXSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575164705 952297061 /nfs/dbraw/zinc/29/70/61/952297061.db2.gz GRIWJQFCZGYTAU-XVMARJQXSA-N -1 1 384.853 0.357 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575164858 952301388 /nfs/dbraw/zinc/30/13/88/952301388.db2.gz IFSGTEBKMMQUPA-WDSKDSINSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575164858 952301395 /nfs/dbraw/zinc/30/13/95/952301395.db2.gz IFSGTEBKMMQUPA-WDSKDSINSA-N -1 1 386.825 0.344 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575165957 952318611 /nfs/dbraw/zinc/31/86/11/952318611.db2.gz RITWMMGALUTUJE-YUMQZZPRSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575165957 952318616 /nfs/dbraw/zinc/31/86/16/952318616.db2.gz RITWMMGALUTUJE-YUMQZZPRSA-N -1 1 387.853 0.651 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575173849 952357476 /nfs/dbraw/zinc/35/74/76/952357476.db2.gz BHDXVLOAZLOETA-SJCJKPOMSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575173849 952357482 /nfs/dbraw/zinc/35/74/82/952357482.db2.gz BHDXVLOAZLOETA-SJCJKPOMSA-N -1 1 388.432 0.159 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575173799 952358047 /nfs/dbraw/zinc/35/80/47/952358047.db2.gz AILVJCDNCXEZJV-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575173799 952358054 /nfs/dbraw/zinc/35/80/54/952358054.db2.gz AILVJCDNCXEZJV-NWDGAFQWSA-N -1 1 382.432 0.375 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCOC1CCOCC1 ZINC001575174045 952364358 /nfs/dbraw/zinc/36/43/58/952364358.db2.gz FYHZDPGKHYRHRU-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCOC1CCOCC1 ZINC001575174045 952364364 /nfs/dbraw/zinc/36/43/64/952364364.db2.gz FYHZDPGKHYRHRU-LBPRGKRZSA-N -1 1 390.448 0.501 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575174286 952370111 /nfs/dbraw/zinc/37/01/11/952370111.db2.gz LFIIXTASTIEEKO-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575174286 952370117 /nfs/dbraw/zinc/37/01/17/952370117.db2.gz LFIIXTASTIEEKO-GFCCVEGCSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575174287 952370399 /nfs/dbraw/zinc/37/03/99/952370399.db2.gz LFIIXTASTIEEKO-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575174287 952370404 /nfs/dbraw/zinc/37/04/04/952370404.db2.gz LFIIXTASTIEEKO-LBPRGKRZSA-N -1 1 389.464 0.026 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COCc1ccncc1 ZINC001575174625 952376224 /nfs/dbraw/zinc/37/62/24/952376224.db2.gz AVYYKOFWSFJVIK-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COCc1ccncc1 ZINC001575174625 952376228 /nfs/dbraw/zinc/37/62/28/952376228.db2.gz AVYYKOFWSFJVIK-LBPRGKRZSA-N -1 1 383.416 0.527 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575174668 952376868 /nfs/dbraw/zinc/37/68/68/952376868.db2.gz BYGBYDYTNGCSSM-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575174668 952376873 /nfs/dbraw/zinc/37/68/73/952376873.db2.gz BYGBYDYTNGCSSM-IJLUTSLNSA-N -1 1 382.432 0.453 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575174678 952376947 /nfs/dbraw/zinc/37/69/47/952376947.db2.gz CJZXTMAVYZVAHZ-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575174678 952376952 /nfs/dbraw/zinc/37/69/52/952376952.db2.gz CJZXTMAVYZVAHZ-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)COCC(F)F)C1CC1 ZINC001575175141 952381290 /nfs/dbraw/zinc/38/12/90/952381290.db2.gz VEWFPFXBZPWCKZ-HNNXBMFYSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575175141 952381293 /nfs/dbraw/zinc/38/12/93/952381293.db2.gz VEWFPFXBZPWCKZ-HNNXBMFYSA-N -1 1 382.375 0.635 20 0 GCADMM C[C@@H](COCC1CCCCC1)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575176505 952394591 /nfs/dbraw/zinc/39/45/91/952394591.db2.gz HPVCCFISJVTWNF-NSHDSACASA-N -1 1 391.432 0.231 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575176973 952397342 /nfs/dbraw/zinc/39/73/42/952397342.db2.gz FYAZBQISUUKJKK-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575176973 952397351 /nfs/dbraw/zinc/39/73/51/952397351.db2.gz FYAZBQISUUKJKK-JTQLQIEISA-N -1 1 384.404 0.208 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575177255 952399531 /nfs/dbraw/zinc/39/95/31/952399531.db2.gz HQAQKKMXADHQLB-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575177255 952399537 /nfs/dbraw/zinc/39/95/37/952399537.db2.gz HQAQKKMXADHQLB-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575177599 952402173 /nfs/dbraw/zinc/40/21/73/952402173.db2.gz IJZBTYJRCLCMLG-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575177599 952402176 /nfs/dbraw/zinc/40/21/76/952402176.db2.gz IJZBTYJRCLCMLG-WDSKDSINSA-N -1 1 387.857 0.292 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1nnn(C)n1 ZINC001575178191 952404581 /nfs/dbraw/zinc/40/45/81/952404581.db2.gz LDHJAMNZNBOHRH-RXMQYKEDSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1nnn(C)n1 ZINC001575178191 952404586 /nfs/dbraw/zinc/40/45/86/952404586.db2.gz LDHJAMNZNBOHRH-RXMQYKEDSA-N -1 1 383.829 0.073 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575178816 952409112 /nfs/dbraw/zinc/40/91/12/952409112.db2.gz NOGXYUNACIZFNV-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575178816 952409113 /nfs/dbraw/zinc/40/91/13/952409113.db2.gz NOGXYUNACIZFNV-SNVBAGLBSA-N -1 1 383.420 0.085 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575178860 952409199 /nfs/dbraw/zinc/40/91/99/952409199.db2.gz OIKPWEIKKJAKLL-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575178860 952409201 /nfs/dbraw/zinc/40/92/01/952409201.db2.gz OIKPWEIKKJAKLL-SNVBAGLBSA-N -1 1 383.420 0.546 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCNC1=O ZINC001575179781 952414616 /nfs/dbraw/zinc/41/46/16/952414616.db2.gz QVPFSJZYNHAUOW-RQJHMYQMSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCNC1=O ZINC001575179781 952414619 /nfs/dbraw/zinc/41/46/19/952414619.db2.gz QVPFSJZYNHAUOW-RQJHMYQMSA-N -1 1 384.853 0.372 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575180228 952416683 /nfs/dbraw/zinc/41/66/83/952416683.db2.gz UEUYQHQZPBXQRF-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575180228 952416689 /nfs/dbraw/zinc/41/66/89/952416689.db2.gz UEUYQHQZPBXQRF-NSHDSACASA-N -1 1 382.432 0.690 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575180242 952416840 /nfs/dbraw/zinc/41/68/40/952416840.db2.gz UHVDKXITAOBHOF-SNVBAGLBSA-N -1 1 386.420 0.279 20 0 GCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575180224 952417100 /nfs/dbraw/zinc/41/71/00/952417100.db2.gz UENXVBHCNVLDBW-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575180224 952417102 /nfs/dbraw/zinc/41/71/02/952417102.db2.gz UENXVBHCNVLDBW-LLVKDONJSA-N -1 1 382.432 0.762 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575180240 952417179 /nfs/dbraw/zinc/41/71/79/952417179.db2.gz UHVDKXITAOBHOF-JTQLQIEISA-N -1 1 386.420 0.279 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575180932 952419113 /nfs/dbraw/zinc/41/91/13/952419113.db2.gz XZYVUZATCODRMW-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575180932 952419117 /nfs/dbraw/zinc/41/91/17/952419117.db2.gz XZYVUZATCODRMW-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575180897 952419602 /nfs/dbraw/zinc/41/96/02/952419602.db2.gz XGAQLBBIKZOXOJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575180897 952419604 /nfs/dbraw/zinc/41/96/04/952419604.db2.gz XGAQLBBIKZOXOJ-JTQLQIEISA-N -1 1 382.432 0.840 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575180956 952421496 /nfs/dbraw/zinc/42/14/96/952421496.db2.gz YQAHWLVDINYGPG-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575180956 952421503 /nfs/dbraw/zinc/42/15/03/952421503.db2.gz YQAHWLVDINYGPG-VIFPVBQESA-N -1 1 392.374 0.691 20 0 GCADMM C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001575185457 952432754 /nfs/dbraw/zinc/43/27/54/952432754.db2.gz QUCBNGDBJXQBBX-NSHDSACASA-N -1 1 383.416 0.069 20 0 GCADMM C[C@@H](Cc1ccccc1F)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575187252 952438785 /nfs/dbraw/zinc/43/87/85/952438785.db2.gz BHUVODOHVCBPOF-LBPRGKRZSA-N -1 1 384.419 0.967 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)n1 ZINC001571114180 952449955 /nfs/dbraw/zinc/44/99/55/952449955.db2.gz COPKJNWPFHMKJF-OAHLLOKOSA-N -1 1 375.393 0.343 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)n1 ZINC001571114180 952449961 /nfs/dbraw/zinc/44/99/61/952449961.db2.gz COPKJNWPFHMKJF-OAHLLOKOSA-N -1 1 375.393 0.343 20 0 GCADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001571114310 952451499 /nfs/dbraw/zinc/45/14/99/952451499.db2.gz GJFXONIBCIADNU-LDYMZIIASA-N -1 1 375.364 0.729 20 0 GCADMM Cc1nsc(N2CCC[C@H](NC(=O)c3cnon3)CC2)c1-c1nn[n-]n1 ZINC001571117304 952480423 /nfs/dbraw/zinc/48/04/23/952480423.db2.gz IUDUILLLVREZRF-VIFPVBQESA-N -1 1 375.418 0.804 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3C[C@@H](O)CC[C@H]3C)CC2)o1 ZINC001571117186 952480496 /nfs/dbraw/zinc/48/04/96/952480496.db2.gz ICYAVPQGERZPPP-MFKMUULPSA-N -1 1 375.433 0.751 20 0 GCADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)c2ccc(NS(C)(=O)=O)cc2)c1C ZINC001571117308 952480842 /nfs/dbraw/zinc/48/08/42/952480842.db2.gz IVIGEASIYRPCOA-UHFFFAOYSA-N -1 1 375.414 0.934 20 0 GCADMM Cc1[nH]nc(NC(=O)CCc2ccc(S(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC001571118052 952485986 /nfs/dbraw/zinc/48/59/86/952485986.db2.gz TVFJSUASGPQKQL-UHFFFAOYSA-N -1 1 375.414 0.873 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197621 952486352 /nfs/dbraw/zinc/48/63/52/952486352.db2.gz XSSJOVRLTUVMFQ-AVGNSLFASA-N -1 1 382.428 0.857 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575199730 952489760 /nfs/dbraw/zinc/48/97/60/952489760.db2.gz FBVXCKMELAZNAT-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575199730 952489763 /nfs/dbraw/zinc/48/97/63/952489763.db2.gz FBVXCKMELAZNAT-AAEUAGOBSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575199562 952489971 /nfs/dbraw/zinc/48/99/71/952489971.db2.gz DBXXHFGHZXVGLF-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575199562 952489973 /nfs/dbraw/zinc/48/99/73/952489973.db2.gz DBXXHFGHZXVGLF-DGCLKSJQSA-N -1 1 382.432 0.282 20 0 GCADMM O=C(c1cc(C(F)F)n[nH]1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571119848 952495022 /nfs/dbraw/zinc/49/50/22/952495022.db2.gz FTWUOMVFWUDVDI-SSDOTTSWSA-N -1 1 376.331 0.644 20 0 GCADMM O=C(c1cc(C(F)F)n[nH]1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571119848 952495026 /nfs/dbraw/zinc/49/50/26/952495026.db2.gz FTWUOMVFWUDVDI-SSDOTTSWSA-N -1 1 376.331 0.644 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571119839 952495105 /nfs/dbraw/zinc/49/51/05/952495105.db2.gz FNSBKILIRRZGEZ-MRVPVSSYSA-N -1 1 375.780 0.649 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571119839 952495111 /nfs/dbraw/zinc/49/51/11/952495111.db2.gz FNSBKILIRRZGEZ-MRVPVSSYSA-N -1 1 375.780 0.649 20 0 GCADMM C[C@H](Cc1cccs1)N(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575200613 952496439 /nfs/dbraw/zinc/49/64/39/952496439.db2.gz DFVVYHCRNABKPX-SNVBAGLBSA-N -1 1 389.441 0.670 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001575201137 952501080 /nfs/dbraw/zinc/50/10/80/952501080.db2.gz HGBAVBBBBRINAE-SCUASFONSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001575201137 952501082 /nfs/dbraw/zinc/50/10/82/952501082.db2.gz HGBAVBBBBRINAE-SCUASFONSA-N -1 1 380.412 0.679 20 0 GCADMM COC(=O)[C@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)CC1CCCC1 ZINC001571120343 952501550 /nfs/dbraw/zinc/50/15/50/952501550.db2.gz LGCRYCNMMRQZOL-PWSUYJOCSA-N -1 1 376.421 0.505 20 0 GCADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001571120391 952501921 /nfs/dbraw/zinc/50/19/21/952501921.db2.gz MCDIKGXLANGGJF-INIZCTEOSA-N -1 1 376.396 0.578 20 0 GCADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001571120391 952501928 /nfs/dbraw/zinc/50/19/28/952501928.db2.gz MCDIKGXLANGGJF-INIZCTEOSA-N -1 1 376.396 0.578 20 0 GCADMM Cc1cccc(CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001571120374 952502090 /nfs/dbraw/zinc/50/20/90/952502090.db2.gz LVVBKRPGUJTYSB-FOLVSLTJSA-N -1 1 376.424 0.759 20 0 GCADMM Cc1cccc(CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001571120374 952502097 /nfs/dbraw/zinc/50/20/97/952502097.db2.gz LVVBKRPGUJTYSB-FOLVSLTJSA-N -1 1 376.424 0.759 20 0 GCADMM O=C(c1cc(C(F)F)n[nH]1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120692 952507313 /nfs/dbraw/zinc/50/73/13/952507313.db2.gz NZQFUMBEPYLHNG-ZETCQYMHSA-N -1 1 376.331 0.644 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571120780 952508190 /nfs/dbraw/zinc/50/81/90/952508190.db2.gz RBMGGVPFPLSERT-BDJLRTHQSA-N -1 1 376.396 0.213 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571120780 952508196 /nfs/dbraw/zinc/50/81/96/952508196.db2.gz RBMGGVPFPLSERT-BDJLRTHQSA-N -1 1 376.396 0.213 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1-c1nnn[n-]1 ZINC001571121099 952515147 /nfs/dbraw/zinc/51/51/47/952515147.db2.gz WLCVOSGUVHJDCW-DOMZBBRYSA-N -1 1 376.417 0.532 20 0 GCADMM Cc1onc(CC(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1-c1nn[n-]n1 ZINC001571121099 952515154 /nfs/dbraw/zinc/51/51/54/952515154.db2.gz WLCVOSGUVHJDCW-DOMZBBRYSA-N -1 1 376.417 0.532 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H]1CCC1(F)F ZINC001571121205 952516700 /nfs/dbraw/zinc/51/67/00/952516700.db2.gz YELLACWTLYRZPY-CHWFTXMASA-N -1 1 376.371 0.500 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CCC1(F)F ZINC001571121205 952516705 /nfs/dbraw/zinc/51/67/05/952516705.db2.gz YELLACWTLYRZPY-CHWFTXMASA-N -1 1 376.371 0.500 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[C@@H]1CCC1(F)F ZINC001571121214 952517384 /nfs/dbraw/zinc/51/73/84/952517384.db2.gz YEXUPJHGLPWGFP-MMWGEVLESA-N -1 1 376.371 0.500 20 0 GCADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[C@@H]1CCC1(F)F ZINC001571121214 952517389 /nfs/dbraw/zinc/51/73/89/952517389.db2.gz YEXUPJHGLPWGFP-MMWGEVLESA-N -1 1 376.371 0.500 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cc(Cl)no1 ZINC001571121221 952517413 /nfs/dbraw/zinc/51/74/13/952517413.db2.gz YMHXZMCIKTTXRN-OCAPTIKFSA-N -1 1 375.780 0.919 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cc(Cl)no1 ZINC001571121221 952517419 /nfs/dbraw/zinc/51/74/19/952517419.db2.gz YMHXZMCIKTTXRN-OCAPTIKFSA-N -1 1 375.780 0.919 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571121335 952519541 /nfs/dbraw/zinc/51/95/41/952519541.db2.gz YOXVTHIAETUJLG-MEDUHNTESA-N -1 1 376.396 0.070 20 0 GCADMM CC[C@H](SC)C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571121677 952520271 /nfs/dbraw/zinc/52/02/71/952520271.db2.gz BKJRWFSSQGSZGC-QWRGUYRKSA-N -1 1 376.490 0.869 20 0 GCADMM CC[C@@H](SC)C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571121676 952521009 /nfs/dbraw/zinc/52/10/09/952521009.db2.gz BKJRWFSSQGSZGC-MNOVXSKESA-N -1 1 376.490 0.869 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575203521 952524045 /nfs/dbraw/zinc/52/40/45/952524045.db2.gz ZBRVJQCKPBTUHD-KBNOKHGBSA-N -1 1 380.412 0.679 20 0 GCADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575203521 952524048 /nfs/dbraw/zinc/52/40/48/952524048.db2.gz ZBRVJQCKPBTUHD-KBNOKHGBSA-N -1 1 380.412 0.679 20 0 GCADMM CS[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571123379 952529324 /nfs/dbraw/zinc/52/93/24/952529324.db2.gz QVJNRYKNMNHOIT-UTUOFQBUSA-N -1 1 376.490 0.869 20 0 GCADMM Cn1c(=O)[nH]c(N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1=O ZINC001571124190 952534972 /nfs/dbraw/zinc/53/49/72/952534972.db2.gz ANHHTJWPRABTDJ-BDAKNGLRSA-N -1 1 377.405 0.588 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575207861 952535647 /nfs/dbraw/zinc/53/56/47/952535647.db2.gz UOKJMDIKHAEXBA-LBPRGKRZSA-N -1 1 384.448 0.212 20 0 GCADMM C[C@@H](Cc1cnn(C)c1)C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575207861 952535652 /nfs/dbraw/zinc/53/56/52/952535652.db2.gz UOKJMDIKHAEXBA-LBPRGKRZSA-N -1 1 384.448 0.212 20 0 GCADMM C[C@H](Cc1cnn(C)c1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001575207867 952535953 /nfs/dbraw/zinc/53/59/53/952535953.db2.gz UPVWVIQXQFPJCU-SNVBAGLBSA-N -1 1 387.452 0.111 20 0 GCADMM C[C@H](Cc1cnn(C)c1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001575207867 952535957 /nfs/dbraw/zinc/53/59/57/952535957.db2.gz UPVWVIQXQFPJCU-SNVBAGLBSA-N -1 1 387.452 0.111 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2cccnc2)n1 ZINC001571124590 952541648 /nfs/dbraw/zinc/54/16/48/952541648.db2.gz NYYBYMMLWPPREX-VIKVFOODSA-N -1 1 377.412 0.154 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2cccnc2)n1 ZINC001571124590 952541653 /nfs/dbraw/zinc/54/16/53/952541653.db2.gz NYYBYMMLWPPREX-VIKVFOODSA-N -1 1 377.412 0.154 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCc2cccnc21 ZINC001571126988 952547580 /nfs/dbraw/zinc/54/75/80/952547580.db2.gz BNRGVEJNYGLMFS-AVGNSLFASA-N -1 1 377.412 0.841 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCc2cccnc21 ZINC001571126988 952547587 /nfs/dbraw/zinc/54/75/87/952547587.db2.gz BNRGVEJNYGLMFS-AVGNSLFASA-N -1 1 377.412 0.841 20 0 GCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)c1ccccn1 ZINC001571126967 952547991 /nfs/dbraw/zinc/54/79/91/952547991.db2.gz AVGBCJICCZAOKQ-XQQFMLRXSA-N -1 1 377.412 0.839 20 0 GCADMM Cc1cccnc1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571127458 952555051 /nfs/dbraw/zinc/55/50/51/952555051.db2.gz JPZUMXHKVGJYRN-QWHCGFSZSA-N -1 1 377.412 0.711 20 0 GCADMM Cc1cccnc1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571127458 952555055 /nfs/dbraw/zinc/55/50/55/952555055.db2.gz JPZUMXHKVGJYRN-QWHCGFSZSA-N -1 1 377.412 0.711 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571127459 952555265 /nfs/dbraw/zinc/55/52/65/952555265.db2.gz JQMYNXGVKIQSKS-CABCVRRESA-N -1 1 377.412 0.935 20 0 GCADMM O=C(c1ccccn1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571127459 952555267 /nfs/dbraw/zinc/55/52/67/952555267.db2.gz JQMYNXGVKIQSKS-CABCVRRESA-N -1 1 377.412 0.935 20 0 GCADMM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571127508 952556860 /nfs/dbraw/zinc/55/68/60/952556860.db2.gz LIGOWGRNXDZCGU-XKNYDFJKSA-N -1 1 377.430 0.500 20 0 GCADMM O=C(Cc1cccnc1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571127704 952559909 /nfs/dbraw/zinc/55/99/09/952559909.db2.gz MEATXTDQGLPGBZ-OKILXGFUSA-N -1 1 377.412 0.189 20 0 GCADMM O=C(Cc1cccnc1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571127704 952559916 /nfs/dbraw/zinc/55/99/16/952559916.db2.gz MEATXTDQGLPGBZ-OKILXGFUSA-N -1 1 377.412 0.189 20 0 GCADMM Cc1nsc(N2C[C@@H](NC(=O)CC3CCCC3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571127910 952562187 /nfs/dbraw/zinc/56/21/87/952562187.db2.gz MMUCQNXLKVEJIX-NEPJUHHUSA-N -1 1 377.474 0.878 20 0 GCADMM C[C@]12C[N@H+](C[C@H](O)c3cccc(-c4nn[nH]n4)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001571127902 952562507 /nfs/dbraw/zinc/56/25/07/952562507.db2.gz MGSOFNCVCNPULQ-BHYGNILZSA-N -1 1 377.470 0.657 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)cc1C ZINC001571128162 952564600 /nfs/dbraw/zinc/56/46/00/952564600.db2.gz PMVYVZRCVZMTLL-STQMWFEESA-N -1 1 377.412 0.772 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)cc1C ZINC001571128162 952564603 /nfs/dbraw/zinc/56/46/03/952564603.db2.gz PMVYVZRCVZMTLL-STQMWFEESA-N -1 1 377.412 0.772 20 0 GCADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001575214589 952565953 /nfs/dbraw/zinc/56/59/53/952565953.db2.gz MVXJYDFVROHQJE-BDAKNGLRSA-N -1 1 382.375 0.004 20 0 GCADMM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571128349 952566383 /nfs/dbraw/zinc/56/63/83/952566383.db2.gz RIQDQFULVMJZID-NWDGAFQWSA-N -1 1 377.474 0.953 20 0 GCADMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2cccc3c2OC(F)(F)O3)c(=O)n1C ZINC001571129467 952574118 /nfs/dbraw/zinc/57/41/18/952574118.db2.gz DHWMNTWSHDNVJG-UHFFFAOYSA-N -1 1 378.295 0.405 20 0 GCADMM O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC(F)(F)C1 ZINC001571129734 952575972 /nfs/dbraw/zinc/57/59/72/952575972.db2.gz IFUMWHOIYCUTGJ-QWRGUYRKSA-N -1 1 378.387 0.963 20 0 GCADMM O=C(C1CCC(F)(F)CC1)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130467 952579594 /nfs/dbraw/zinc/57/95/94/952579594.db2.gz RGSHCRPWWSKMCQ-LLVKDONJSA-N -1 1 378.387 0.917 20 0 GCADMM CN(CCNc1ncncc1-c1nn[n-]n1)S(=O)(=O)c1ccc(F)cc1 ZINC001571130526 952580358 /nfs/dbraw/zinc/58/03/58/952580358.db2.gz SJJXHTIKHAOHRW-UHFFFAOYSA-N -1 1 378.393 0.528 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571130729 952581455 /nfs/dbraw/zinc/58/14/55/952581455.db2.gz VRPGDTRVAZXBAV-WDEREUQCSA-N -1 1 378.387 0.987 20 0 GCADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571130729 952581456 /nfs/dbraw/zinc/58/14/56/952581456.db2.gz VRPGDTRVAZXBAV-WDEREUQCSA-N -1 1 378.387 0.987 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1COc2ccccc21 ZINC001571130769 952582499 /nfs/dbraw/zinc/58/24/99/952582499.db2.gz XCKDWFOWKGXALJ-DGCLKSJQSA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1COc2ccccc21 ZINC001571130769 952582503 /nfs/dbraw/zinc/58/25/03/952582503.db2.gz XCKDWFOWKGXALJ-DGCLKSJQSA-N -1 1 378.396 0.528 20 0 GCADMM O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)COC2 ZINC001571135725 952608217 /nfs/dbraw/zinc/60/82/17/952608217.db2.gz CCIIZZJYGAYBNN-OKILXGFUSA-N -1 1 378.396 0.482 20 0 GCADMM O=C(c1ccc2c(c1)CCO2)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135853 952608831 /nfs/dbraw/zinc/60/88/31/952608831.db2.gz GGXWYHXETSHECO-CYBMUJFWSA-N -1 1 378.396 0.918 20 0 GCADMM O=C(c1ccc2c(c1)CCO2)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135853 952608835 /nfs/dbraw/zinc/60/88/35/952608835.db2.gz GGXWYHXETSHECO-CYBMUJFWSA-N -1 1 378.396 0.918 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571135931 952610053 /nfs/dbraw/zinc/61/00/53/952610053.db2.gz IKRLQSKULSMLMC-WXHSDQCUSA-N -1 1 378.400 0.295 20 0 GCADMM CC(C)c1nc([C@@H](CO)Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cs1 ZINC001571135900 952610140 /nfs/dbraw/zinc/61/01/40/952610140.db2.gz HJIHOMJNEKUGFJ-SSDOTTSWSA-N -1 1 378.418 0.391 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571135959 952611430 /nfs/dbraw/zinc/61/14/30/952611430.db2.gz JFZKIPZHYUTFDQ-OSMZGAPFSA-N -1 1 378.400 0.295 20 0 GCADMM Cc1nccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571135959 952611432 /nfs/dbraw/zinc/61/14/32/952611432.db2.gz JFZKIPZHYUTFDQ-OSMZGAPFSA-N -1 1 378.400 0.295 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571136027 952611964 /nfs/dbraw/zinc/61/19/64/952611964.db2.gz KZSUHDZWKVQPKY-SMDDNHRTSA-N -1 1 378.400 0.188 20 0 GCADMM O=C(c1cncnc1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571136027 952611968 /nfs/dbraw/zinc/61/19/68/952611968.db2.gz KZSUHDZWKVQPKY-SMDDNHRTSA-N -1 1 378.400 0.188 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)cn1 ZINC001571136069 952612333 /nfs/dbraw/zinc/61/23/33/952612333.db2.gz LRLGIDUZCBUIHV-WZRBSPASSA-N -1 1 378.400 0.295 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)cn1 ZINC001571136069 952612335 /nfs/dbraw/zinc/61/23/35/952612335.db2.gz LRLGIDUZCBUIHV-WZRBSPASSA-N -1 1 378.400 0.295 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571136400 952613825 /nfs/dbraw/zinc/61/38/25/952613825.db2.gz PEVOIVKIFYDRLC-TXEJJXNPSA-N -1 1 378.400 0.249 20 0 GCADMM Cc1ccnc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571136400 952613828 /nfs/dbraw/zinc/61/38/28/952613828.db2.gz PEVOIVKIFYDRLC-TXEJJXNPSA-N -1 1 378.400 0.249 20 0 GCADMM O=C(N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1ncccn1 ZINC001571136568 952615303 /nfs/dbraw/zinc/61/53/03/952615303.db2.gz QUJKWZBPWRKMBM-WDEREUQCSA-N -1 1 378.400 0.600 20 0 GCADMM O=C(N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1ncccn1 ZINC001571136568 952615307 /nfs/dbraw/zinc/61/53/07/952615307.db2.gz QUJKWZBPWRKMBM-WDEREUQCSA-N -1 1 378.400 0.600 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1ncccn1 ZINC001571136584 952615374 /nfs/dbraw/zinc/61/53/74/952615374.db2.gz RPLOVMLUJGSDCC-SJKOYZFVSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1ncccn1 ZINC001571136584 952615380 /nfs/dbraw/zinc/61/53/80/952615380.db2.gz RPLOVMLUJGSDCC-SJKOYZFVSA-N -1 1 378.400 0.378 20 0 GCADMM O=C(c1cnccn1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571136782 952616311 /nfs/dbraw/zinc/61/63/11/952616311.db2.gz VRZKEARPQBRDPR-NEPJUHHUSA-N -1 1 378.400 0.045 20 0 GCADMM O=C(c1cnccn1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571136782 952616313 /nfs/dbraw/zinc/61/63/13/952616313.db2.gz VRZKEARPQBRDPR-NEPJUHHUSA-N -1 1 378.400 0.045 20 0 GCADMM Cn1c(=O)[nH]c(NC[C@@](C)(O)c2ccc(F)cc2F)c(-c2nn[n-]n2)c1=O ZINC001571139007 952618180 /nfs/dbraw/zinc/61/81/80/952618180.db2.gz ATDICFVYILFLCI-OAHLLOKOSA-N -1 1 379.327 0.264 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1cc(C2CC2)no1 ZINC001571139413 952620178 /nfs/dbraw/zinc/62/01/78/952620178.db2.gz HEYRSTAQQGYFKH-IWIIMEHWSA-N -1 1 379.384 0.387 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1cc(C2CC2)no1 ZINC001571139413 952620184 /nfs/dbraw/zinc/62/01/84/952620184.db2.gz HEYRSTAQQGYFKH-IWIIMEHWSA-N -1 1 379.384 0.387 20 0 GCADMM NC(=O)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571139948 952622159 /nfs/dbraw/zinc/62/21/59/952622159.db2.gz LIOHDLIAIIHBNO-TXEJJXNPSA-N -1 1 379.384 0.129 20 0 GCADMM NC(=O)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571139948 952622162 /nfs/dbraw/zinc/62/21/62/952622162.db2.gz LIOHDLIAIIHBNO-TXEJJXNPSA-N -1 1 379.384 0.129 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ncoc1C1CC1 ZINC001571140716 952627916 /nfs/dbraw/zinc/62/79/16/952627916.db2.gz SEBKCEXQIYKKST-URLYPYJESA-N -1 1 379.384 0.387 20 0 GCADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ncoc1C1CC1 ZINC001571140716 952627918 /nfs/dbraw/zinc/62/79/18/952627918.db2.gz SEBKCEXQIYKKST-URLYPYJESA-N -1 1 379.384 0.387 20 0 GCADMM CN(C)c1ncc(Br)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001571141989 952638103 /nfs/dbraw/zinc/63/81/03/952638103.db2.gz MRXJITDMDXKDNG-UHFFFAOYSA-N -1 1 379.182 0.461 20 0 GCADMM CN(C)c1ncc(Br)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001571141989 952638106 /nfs/dbraw/zinc/63/81/06/952638106.db2.gz MRXJITDMDXKDNG-UHFFFAOYSA-N -1 1 379.182 0.461 20 0 GCADMM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571142724 952645272 /nfs/dbraw/zinc/64/52/72/952645272.db2.gz WRLQDPPFWIWDSS-RNCFNFMXSA-N -1 1 378.458 0.600 20 0 GCADMM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)OC(C)(C)C ZINC001571147170 952658059 /nfs/dbraw/zinc/65/80/59/952658059.db2.gz HZDZWPWQTFHBGH-UTLUCORTSA-N -1 1 379.425 0.437 20 0 GCADMM C[C@H](C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571147402 952660522 /nfs/dbraw/zinc/66/05/22/952660522.db2.gz MALUFDISEZEXFQ-DCBWTQNWSA-N -1 1 379.428 0.584 20 0 GCADMM Cn1ccc(C(=O)N[C@@]23CCC[C@@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)c1 ZINC001571147492 952661326 /nfs/dbraw/zinc/66/13/26/952661326.db2.gz ZVTRCBUIDASNEI-SCLBCKFNSA-N -1 1 379.428 0.927 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571147457 952661931 /nfs/dbraw/zinc/66/19/31/952661931.db2.gz YXXUVPFTLYQISQ-KGLIPLIRSA-N -1 1 379.428 0.879 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571147457 952661932 /nfs/dbraw/zinc/66/19/32/952661932.db2.gz YXXUVPFTLYQISQ-KGLIPLIRSA-N -1 1 379.428 0.879 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc3c([nH]2)CCC3)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571148272 952666146 /nfs/dbraw/zinc/66/61/46/952666146.db2.gz XUWINXHDTQZFFD-PWSUYJOCSA-N -1 1 379.428 0.871 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2cc3c([nH]2)CCC3)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571148272 952666148 /nfs/dbraw/zinc/66/61/48/952666148.db2.gz XUWINXHDTQZFFD-PWSUYJOCSA-N -1 1 379.428 0.871 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001571148323 952666302 /nfs/dbraw/zinc/66/63/02/952666302.db2.gz YNJMVUQEYVOTFJ-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001571148323 952666305 /nfs/dbraw/zinc/66/63/05/952666305.db2.gz YNJMVUQEYVOTFJ-JSGCOSHPSA-N -1 1 379.428 0.893 20 0 GCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)CCc2ccccn2)C1 ZINC001571148244 952666339 /nfs/dbraw/zinc/66/63/39/952666339.db2.gz WSFKBJAHMXPODU-CQSZACIVSA-N -1 1 379.428 0.722 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3ncccc3C)C2)n1 ZINC001571148424 952667343 /nfs/dbraw/zinc/66/73/43/952667343.db2.gz ZDSJKEJHZPMFGA-LBPRGKRZSA-N -1 1 379.428 0.931 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3ncccc3C)C2)n1 ZINC001571148424 952667344 /nfs/dbraw/zinc/66/73/44/952667344.db2.gz ZDSJKEJHZPMFGA-LBPRGKRZSA-N -1 1 379.428 0.931 20 0 GCADMM O=C(CCCS(=O)(=O)N1CCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571151132 952672650 /nfs/dbraw/zinc/67/26/50/952672650.db2.gz MADOQDVEVXPVCG-UHFFFAOYSA-N -1 1 379.446 0.084 20 0 GCADMM O=C(CCCS(=O)(=O)N1CCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571151132 952672652 /nfs/dbraw/zinc/67/26/52/952672652.db2.gz MADOQDVEVXPVCG-UHFFFAOYSA-N -1 1 379.446 0.084 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571152884 952684053 /nfs/dbraw/zinc/68/40/53/952684053.db2.gz KENJNMVWGBQUMX-SSDOTTSWSA-N -1 1 379.837 0.637 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571152884 952684056 /nfs/dbraw/zinc/68/40/56/952684056.db2.gz KENJNMVWGBQUMX-SSDOTTSWSA-N -1 1 379.837 0.637 20 0 GCADMM COc1c(F)cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c(OC)c1F ZINC001571152991 952685044 /nfs/dbraw/zinc/68/50/44/952685044.db2.gz MXNADWMUOIJPGC-LURJTMIESA-N -1 1 380.315 0.953 20 0 GCADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1cc(C(F)F)[nH]n1 ZINC001571153349 952685870 /nfs/dbraw/zinc/68/58/70/952685870.db2.gz PDDZFSSSJFBRRV-UHFFFAOYSA-N -1 1 380.319 0.339 20 0 GCADMM O=C(N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1(C(F)F)CC1 ZINC001571153375 952686041 /nfs/dbraw/zinc/68/60/41/952686041.db2.gz QAWQGYTWPRCPMN-VIFPVBQESA-N -1 1 380.359 0.341 20 0 GCADMM O=C(N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1(C(F)F)CC1 ZINC001571153375 952686043 /nfs/dbraw/zinc/68/60/43/952686043.db2.gz QAWQGYTWPRCPMN-VIFPVBQESA-N -1 1 380.359 0.341 20 0 GCADMM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C1CC(F)(F)C1 ZINC001571153607 952687092 /nfs/dbraw/zinc/68/70/92/952687092.db2.gz RXBKUJSODAWZFI-JTQLQIEISA-N -1 1 380.359 0.023 20 0 GCADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C1CC(F)(F)C1 ZINC001571153607 952687094 /nfs/dbraw/zinc/68/70/94/952687094.db2.gz RXBKUJSODAWZFI-JTQLQIEISA-N -1 1 380.359 0.023 20 0 GCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2ccc(F)cc21 ZINC001571155176 952693437 /nfs/dbraw/zinc/69/34/37/952693437.db2.gz JUMCKWCNFGCAMP-TZMCWYRMSA-N -1 1 380.387 0.831 20 0 GCADMM C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571155232 952694937 /nfs/dbraw/zinc/69/49/37/952694937.db2.gz LHYAGIKDHAQHBJ-ZDUSSCGKSA-N -1 1 380.412 0.773 20 0 GCADMM C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571155232 952694941 /nfs/dbraw/zinc/69/49/41/952694941.db2.gz LHYAGIKDHAQHBJ-ZDUSSCGKSA-N -1 1 380.412 0.773 20 0 GCADMM COC(=O)c1ccnc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001571155334 952695548 /nfs/dbraw/zinc/69/55/48/952695548.db2.gz OHKRJLWMUCEYDU-UHFFFAOYSA-N -1 1 380.411 0.588 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2ccoc2)n1 ZINC001571155336 952696065 /nfs/dbraw/zinc/69/60/65/952696065.db2.gz OIRWBGHXBJWMPP-STQMWFEESA-N -1 1 380.412 0.844 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2ccoc2)n1 ZINC001571155336 952696069 /nfs/dbraw/zinc/69/60/69/952696069.db2.gz OIRWBGHXBJWMPP-STQMWFEESA-N -1 1 380.412 0.844 20 0 GCADMM COCc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571155397 952696836 /nfs/dbraw/zinc/69/68/36/952696836.db2.gz QOBWILIGWZWMNV-AWEZNQCLSA-N -1 1 380.412 0.812 20 0 GCADMM Cc1ccncc1CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571156705 952703976 /nfs/dbraw/zinc/70/39/76/952703976.db2.gz HKKCGPHYKRNEHM-AWEZNQCLSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1ccncc1CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571156705 952703979 /nfs/dbraw/zinc/70/39/79/952703979.db2.gz HKKCGPHYKRNEHM-AWEZNQCLSA-N -1 1 379.428 0.640 20 0 GCADMM Cc1ccc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158131 952710192 /nfs/dbraw/zinc/71/01/92/952710192.db2.gz RUCRJLWHLZDTBE-GOSISDBHSA-N -1 1 379.428 0.746 20 0 GCADMM COc1cccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)c1 ZINC001571159363 952718406 /nfs/dbraw/zinc/71/84/06/952718406.db2.gz VLUIMOBTHDXTIT-WCQYABFASA-N -1 1 380.412 0.802 20 0 GCADMM COc1cccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571159543 952720129 /nfs/dbraw/zinc/72/01/29/952720129.db2.gz XSVNRFKTZNCSPT-CYBMUJFWSA-N -1 1 380.412 0.603 20 0 GCADMM COc1cccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571159543 952720135 /nfs/dbraw/zinc/72/01/35/952720135.db2.gz XSVNRFKTZNCSPT-CYBMUJFWSA-N -1 1 380.412 0.603 20 0 GCADMM Cc1cc(C)nc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571160336 952725032 /nfs/dbraw/zinc/72/50/32/952725032.db2.gz YUNVQQNSRYDCRK-JOCQHMNTSA-N -1 1 379.428 0.711 20 0 GCADMM O=C(Cc1ccoc1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571160790 952728547 /nfs/dbraw/zinc/72/85/47/952728547.db2.gz LZUWURGWWOXTER-ZIAGYGMSSA-N -1 1 380.412 0.920 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C1C=CC=CC=C1 ZINC001571161005 952729162 /nfs/dbraw/zinc/72/91/62/952729162.db2.gz OMMNFLWNEYRYHD-CQSZACIVSA-N -1 1 380.412 0.277 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C1C=CC=CC=C1 ZINC001571161005 952729167 /nfs/dbraw/zinc/72/91/67/952729167.db2.gz OMMNFLWNEYRYHD-CQSZACIVSA-N -1 1 380.412 0.277 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571161409 952732271 /nfs/dbraw/zinc/73/22/71/952732271.db2.gz UXBMQOUWZXUNRZ-YNEHKIRRSA-N -1 1 380.412 0.996 20 0 GCADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571161409 952732276 /nfs/dbraw/zinc/73/22/76/952732276.db2.gz UXBMQOUWZXUNRZ-YNEHKIRRSA-N -1 1 380.412 0.996 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c(C)nn1 ZINC001571161797 952734259 /nfs/dbraw/zinc/73/42/59/952734259.db2.gz ASZKGOJFRGDDPF-HAQNSBGRSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1cc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c(C)nn1 ZINC001571161797 952734263 /nfs/dbraw/zinc/73/42/63/952734263.db2.gz ASZKGOJFRGDDPF-HAQNSBGRSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1ccnc(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571161853 952735498 /nfs/dbraw/zinc/73/54/98/952735498.db2.gz CHDHIGKGQMIZGK-UHFFFAOYSA-N -1 1 380.416 0.141 20 0 GCADMM CCN(C(=O)c1ccc(C)nn1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571161843 952735592 /nfs/dbraw/zinc/73/55/92/952735592.db2.gz BZTUTXNLVUXKSI-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1ccc(C)nn1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571161843 952735595 /nfs/dbraw/zinc/73/55/95/952735595.db2.gz BZTUTXNLVUXKSI-GFCCVEGCSA-N -1 1 380.416 0.496 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571161814 952735713 /nfs/dbraw/zinc/73/57/13/952735713.db2.gz BDTJGQAZQYTPCA-NSHDSACASA-N -1 1 380.416 0.726 20 0 GCADMM CCc1ncncc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571161814 952735714 /nfs/dbraw/zinc/73/57/14/952735714.db2.gz BDTJGQAZQYTPCA-NSHDSACASA-N -1 1 380.416 0.726 20 0 GCADMM CN(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571161923 952736169 /nfs/dbraw/zinc/73/61/69/952736169.db2.gz FDTGXLOERFBKBX-TXEJJXNPSA-N -1 1 380.416 0.491 20 0 GCADMM CN(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571161923 952736175 /nfs/dbraw/zinc/73/61/75/952736175.db2.gz FDTGXLOERFBKBX-TXEJJXNPSA-N -1 1 380.416 0.491 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571161912 952736382 /nfs/dbraw/zinc/73/63/82/952736382.db2.gz DXESBALNKZRRNV-NEPJUHHUSA-N -1 1 380.416 0.800 20 0 GCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001571161912 952736386 /nfs/dbraw/zinc/73/63/86/952736386.db2.gz DXESBALNKZRRNV-NEPJUHHUSA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccnnc2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571161949 952736639 /nfs/dbraw/zinc/73/66/39/952736639.db2.gz FXDHOVRSUXXRCU-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM CC[C@@H]1CN(C(=O)c2ccnnc2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571161949 952736645 /nfs/dbraw/zinc/73/66/45/952736645.db2.gz FXDHOVRSUXXRCU-YPMHNXCESA-N -1 1 380.416 0.800 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571161994 952737278 /nfs/dbraw/zinc/73/72/78/952737278.db2.gz HBVFHOYNIQRSAT-NEPJUHHUSA-N -1 1 380.416 0.572 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1n[nH]c2c1CCC2 ZINC001571161998 952737316 /nfs/dbraw/zinc/73/73/16/952737316.db2.gz HDUKQYTXOPHLJQ-UWVGGRQHSA-N -1 1 380.416 0.584 20 0 GCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1n[nH]c2c1CCC2 ZINC001571161998 952737321 /nfs/dbraw/zinc/73/73/21/952737321.db2.gz HDUKQYTXOPHLJQ-UWVGGRQHSA-N -1 1 380.416 0.584 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)cn1 ZINC001571161967 952737503 /nfs/dbraw/zinc/73/75/03/952737503.db2.gz GOESIQYFKBKOAT-CYBMUJFWSA-N -1 1 380.416 0.718 20 0 GCADMM Cc1cnc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)cn1 ZINC001571161967 952737507 /nfs/dbraw/zinc/73/75/07/952737507.db2.gz GOESIQYFKBKOAT-CYBMUJFWSA-N -1 1 380.416 0.718 20 0 GCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001571162061 952738199 /nfs/dbraw/zinc/73/81/99/952738199.db2.gz IYMYCTHBKDVGCP-WCQYABFASA-N -1 1 380.416 0.942 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)c1cncnc1 ZINC001571162061 952738202 /nfs/dbraw/zinc/73/82/02/952738202.db2.gz IYMYCTHBKDVGCP-WCQYABFASA-N -1 1 380.416 0.942 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001571162046 952738209 /nfs/dbraw/zinc/73/82/09/952738209.db2.gz ITGMLFNFQNWYQD-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001571162046 952738212 /nfs/dbraw/zinc/73/82/12/952738212.db2.gz ITGMLFNFQNWYQD-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM C[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571162109 952738239 /nfs/dbraw/zinc/73/82/39/952738239.db2.gz KHJXXMVJDKTLQB-ZANVPECISA-N -1 1 380.416 0.830 20 0 GCADMM C[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571162109 952738242 /nfs/dbraw/zinc/73/82/42/952738242.db2.gz KHJXXMVJDKTLQB-ZANVPECISA-N -1 1 380.416 0.830 20 0 GCADMM C[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571162108 952738274 /nfs/dbraw/zinc/73/82/74/952738274.db2.gz KHJXXMVJDKTLQB-TVQRCGJNSA-N -1 1 380.416 0.830 20 0 GCADMM C[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571162108 952738277 /nfs/dbraw/zinc/73/82/77/952738277.db2.gz KHJXXMVJDKTLQB-TVQRCGJNSA-N -1 1 380.416 0.830 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571162089 952738313 /nfs/dbraw/zinc/73/83/13/952738313.db2.gz JTBWYDKSYJWMMU-TXEJJXNPSA-N -1 1 380.416 0.192 20 0 GCADMM Cc1cn(C)nc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571162089 952738318 /nfs/dbraw/zinc/73/83/18/952738318.db2.gz JTBWYDKSYJWMMU-TXEJJXNPSA-N -1 1 380.416 0.192 20 0 GCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001571162059 952738400 /nfs/dbraw/zinc/73/84/00/952738400.db2.gz IYMYCTHBKDVGCP-AAEUAGOBSA-N -1 1 380.416 0.942 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)c1cncnc1 ZINC001571162059 952738406 /nfs/dbraw/zinc/73/84/06/952738406.db2.gz IYMYCTHBKDVGCP-AAEUAGOBSA-N -1 1 380.416 0.942 20 0 GCADMM CCc1ncncc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571162111 952739018 /nfs/dbraw/zinc/73/90/18/952739018.db2.gz KIFOKTJBWBSIKK-UHFFFAOYSA-N -1 1 380.416 0.408 20 0 GCADMM CCc1ncncc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571162111 952739021 /nfs/dbraw/zinc/73/90/21/952739021.db2.gz KIFOKTJBWBSIKK-UHFFFAOYSA-N -1 1 380.416 0.408 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cncnc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571162182 952739413 /nfs/dbraw/zinc/73/94/13/952739413.db2.gz MYEMTXNXAPTXNF-NSHDSACASA-N -1 1 380.416 0.644 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)c3cncnc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571162182 952739415 /nfs/dbraw/zinc/73/94/15/952739415.db2.gz MYEMTXNXAPTXNF-NSHDSACASA-N -1 1 380.416 0.644 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3ncccn3)[C@H]2C)n1 ZINC001571162190 952740038 /nfs/dbraw/zinc/74/00/38/952740038.db2.gz NKTOFZJXVMYWGV-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3ncccn3)[C@H]2C)n1 ZINC001571162190 952740043 /nfs/dbraw/zinc/74/00/43/952740043.db2.gz NKTOFZJXVMYWGV-NEPJUHHUSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cnn1 ZINC001571162149 952740246 /nfs/dbraw/zinc/74/02/46/952740246.db2.gz MBPZDWKIEDVCKB-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cnn1 ZINC001571162149 952740251 /nfs/dbraw/zinc/74/02/51/952740251.db2.gz MBPZDWKIEDVCKB-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM CCN(C(=O)c1ccnnc1)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571162252 952740722 /nfs/dbraw/zinc/74/07/22/952740722.db2.gz ORBVSAOUSUNRNZ-ZDUSSCGKSA-N -1 1 380.416 0.496 20 0 GCADMM CCN(C(=O)c1ccnnc1)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571162252 952740726 /nfs/dbraw/zinc/74/07/26/952740726.db2.gz ORBVSAOUSUNRNZ-ZDUSSCGKSA-N -1 1 380.416 0.496 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cnccn3)[C@@H](C)C2)n1 ZINC001571162290 952741738 /nfs/dbraw/zinc/74/17/38/952741738.db2.gz PRMCBZWMHIUEQE-NWDGAFQWSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cnccn3)[C@@H](C)C2)n1 ZINC001571162290 952741740 /nfs/dbraw/zinc/74/17/40/952741740.db2.gz PRMCBZWMHIUEQE-NWDGAFQWSA-N -1 1 380.416 0.860 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)cnn1 ZINC001571162349 952741768 /nfs/dbraw/zinc/74/17/68/952741768.db2.gz RDUVBIUJZCMVRH-CYBMUJFWSA-N -1 1 380.416 0.780 20 0 GCADMM Cc1cc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)cnn1 ZINC001571162349 952741770 /nfs/dbraw/zinc/74/17/70/952741770.db2.gz RDUVBIUJZCMVRH-CYBMUJFWSA-N -1 1 380.416 0.780 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571162282 952742229 /nfs/dbraw/zinc/74/22/29/952742229.db2.gz PMKIIXYLZGHZDI-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571162282 952742234 /nfs/dbraw/zinc/74/22/34/952742234.db2.gz PMKIIXYLZGHZDI-WCQYABFASA-N -1 1 380.416 0.800 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571162417 952742859 /nfs/dbraw/zinc/74/28/59/952742859.db2.gz TVXWSFFWYXVPLI-GTNSWQLSSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1nc[nH]c1C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571162417 952742866 /nfs/dbraw/zinc/74/28/66/952742866.db2.gz TVXWSFFWYXVPLI-GTNSWQLSSA-N -1 1 380.416 0.620 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571162561 952744048 /nfs/dbraw/zinc/74/40/48/952744048.db2.gz VUCRPZGSXYFRRO-LKFCYVNXSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cnc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571162561 952744049 /nfs/dbraw/zinc/74/40/49/952744049.db2.gz VUCRPZGSXYFRRO-LKFCYVNXSA-N -1 1 380.416 0.636 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)[nH]n1 ZINC001571162588 952744078 /nfs/dbraw/zinc/74/40/78/952744078.db2.gz VYJLTFQANIVOJC-TUAOUCFPSA-N -1 1 380.416 0.476 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)[nH]n1 ZINC001571162588 952744082 /nfs/dbraw/zinc/74/40/82/952744082.db2.gz VYJLTFQANIVOJC-TUAOUCFPSA-N -1 1 380.416 0.476 20 0 GCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)c1cnccn1 ZINC001571162599 952744142 /nfs/dbraw/zinc/74/41/42/952744142.db2.gz WAGGWTJMIZNMKN-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)c1cnccn1 ZINC001571162599 952744146 /nfs/dbraw/zinc/74/41/46/952744146.db2.gz WAGGWTJMIZNMKN-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1ccnc(C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571162452 952744153 /nfs/dbraw/zinc/74/41/53/952744153.db2.gz UPAKRPLOJBWKOD-UHFFFAOYSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccnc(C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571162452 952744155 /nfs/dbraw/zinc/74/41/55/952744155.db2.gz UPAKRPLOJBWKOD-UHFFFAOYSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571162448 952744605 /nfs/dbraw/zinc/74/46/05/952744605.db2.gz UOMXJXPKDZIUBE-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccnc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571162448 952744609 /nfs/dbraw/zinc/74/46/09/952744609.db2.gz UOMXJXPKDZIUBE-NWDGAFQWSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001571162609 952744666 /nfs/dbraw/zinc/74/46/66/952744666.db2.gz WBSJINYGORBTGK-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001571162609 952744667 /nfs/dbraw/zinc/74/46/67/952744667.db2.gz WBSJINYGORBTGK-RYUDHWBXSA-N -1 1 380.416 0.766 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571162645 952744800 /nfs/dbraw/zinc/74/48/00/952744800.db2.gz XEDSOTVSYWGRNN-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571162645 952744805 /nfs/dbraw/zinc/74/48/05/952744805.db2.gz XEDSOTVSYWGRNN-DGCLKSJQSA-N -1 1 380.416 0.657 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CCc3cncnc3)C2)n1 ZINC001571162625 952745158 /nfs/dbraw/zinc/74/51/58/952745158.db2.gz WMQQYQGHXRICGQ-CYBMUJFWSA-N -1 1 380.416 0.401 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CCc3cncnc3)C2)n1 ZINC001571162625 952745161 /nfs/dbraw/zinc/74/51/61/952745161.db2.gz WMQQYQGHXRICGQ-CYBMUJFWSA-N -1 1 380.416 0.401 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162714 952745968 /nfs/dbraw/zinc/74/59/68/952745968.db2.gz YCNLVEJVUGMNEA-YPMHNXCESA-N -1 1 380.416 0.429 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CC(NC(=O)c3cncnc3C)C2)n1 ZINC001571162767 952746011 /nfs/dbraw/zinc/74/60/11/952746011.db2.gz ZSWBOTSTBHWKNG-UHFFFAOYSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CC(NC(=O)c3cncnc3C)C2)n1 ZINC001571162767 952746014 /nfs/dbraw/zinc/74/60/14/952746014.db2.gz ZSWBOTSTBHWKNG-UHFFFAOYSA-N -1 1 380.416 0.684 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)ncn1 ZINC001571162748 952746214 /nfs/dbraw/zinc/74/62/14/952746214.db2.gz ZCYRBTLXJARIHX-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)ncn1 ZINC001571162748 952746215 /nfs/dbraw/zinc/74/62/15/952746215.db2.gz ZCYRBTLXJARIHX-LBPRGKRZSA-N -1 1 380.416 0.862 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccncn1 ZINC001571162779 952746565 /nfs/dbraw/zinc/74/65/65/952746565.db2.gz ZXKHFEKEGYSTCN-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccncn1 ZINC001571162779 952746575 /nfs/dbraw/zinc/74/65/75/952746575.db2.gz ZXKHFEKEGYSTCN-AAEUAGOBSA-N -1 1 380.416 0.481 20 0 GCADMM Cc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)[nH]1 ZINC001571165058 952747434 /nfs/dbraw/zinc/74/74/34/952747434.db2.gz BRJULMSNHMDQBM-SRVKXCTJSA-N -1 1 380.416 0.476 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1C1CC1 ZINC001571165121 952747759 /nfs/dbraw/zinc/74/77/59/952747759.db2.gz CLNHJVHWGINZDT-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1C1CC1 ZINC001571165121 952747762 /nfs/dbraw/zinc/74/77/62/952747762.db2.gz CLNHJVHWGINZDT-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571165239 952749349 /nfs/dbraw/zinc/74/93/49/952749349.db2.gz GXPUMOBOBKVZFF-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM O=C(c1cn2c(n1)CCC2)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571165239 952749351 /nfs/dbraw/zinc/74/93/51/952749351.db2.gz GXPUMOBOBKVZFF-LLVKDONJSA-N -1 1 380.416 0.516 20 0 GCADMM Cn1cncc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571165452 952750713 /nfs/dbraw/zinc/75/07/13/952750713.db2.gz HCUFPVIOCHXTNF-TXEJJXNPSA-N -1 1 380.416 0.274 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571165458 952750951 /nfs/dbraw/zinc/75/09/51/952750951.db2.gz HGHQRWJTUUBZMG-SUMWQHHRSA-N -1 1 380.416 0.240 20 0 GCADMM O=C(Cc1cc[nH]n1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571165458 952750963 /nfs/dbraw/zinc/75/09/63/952750963.db2.gz HGHQRWJTUUBZMG-SUMWQHHRSA-N -1 1 380.416 0.240 20 0 GCADMM O=C(CCc1cncnc1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165517 952752178 /nfs/dbraw/zinc/75/21/78/952752178.db2.gz IXJOFGRCHTYVRB-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cncnc1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571165517 952752182 /nfs/dbraw/zinc/75/21/82/952752182.db2.gz IXJOFGRCHTYVRB-CYBMUJFWSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(Cn1ccnc1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571165492 952752319 /nfs/dbraw/zinc/75/23/19/952752319.db2.gz ICHOZYNIQNXMGC-OLZOCXBDSA-N -1 1 380.416 0.123 20 0 GCADMM O=C(Cn1ccnc1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571165492 952752326 /nfs/dbraw/zinc/75/23/26/952752326.db2.gz ICHOZYNIQNXMGC-OLZOCXBDSA-N -1 1 380.416 0.123 20 0 GCADMM Cc1ncncc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571165776 952754209 /nfs/dbraw/zinc/75/42/09/952754209.db2.gz KEDHYIMBUIIIJZ-DGCLKSJQSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571165762 952754610 /nfs/dbraw/zinc/75/46/10/952754610.db2.gz JXTPRQDYWTTYBO-LLVKDONJSA-N -1 1 380.416 0.974 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571165762 952754613 /nfs/dbraw/zinc/75/46/13/952754613.db2.gz JXTPRQDYWTTYBO-LLVKDONJSA-N -1 1 380.416 0.974 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571165788 952754651 /nfs/dbraw/zinc/75/46/51/952754651.db2.gz KSKHGDVICDVXJG-KRWDZBQOSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1cnc(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571165788 952754654 /nfs/dbraw/zinc/75/46/54/952754654.db2.gz KSKHGDVICDVXJG-KRWDZBQOSA-N -1 1 380.416 0.719 20 0 GCADMM O=C(CCc1ccncn1)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571165823 952754800 /nfs/dbraw/zinc/75/48/00/952754800.db2.gz LPECHRPMCFJFNQ-LBPRGKRZSA-N -1 1 380.416 0.340 20 0 GCADMM O=C(CCc1ccncn1)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571165823 952754806 /nfs/dbraw/zinc/75/48/06/952754806.db2.gz LPECHRPMCFJFNQ-LBPRGKRZSA-N -1 1 380.416 0.340 20 0 GCADMM Cc1ncncc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571165775 952755027 /nfs/dbraw/zinc/75/50/27/952755027.db2.gz KEDHYIMBUIIIJZ-AAEUAGOBSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC001571165825 952755097 /nfs/dbraw/zinc/75/50/97/952755097.db2.gz LSDBWPPYOFGAGI-DLOVCJGASA-N -1 1 380.416 0.244 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cn2c(n1)CCC2 ZINC001571165842 952756027 /nfs/dbraw/zinc/75/60/27/952756027.db2.gz LYUBQRLZVSXJCT-XYPYZODXSA-N -1 1 380.416 0.420 20 0 GCADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cn2c(n1)CCC2 ZINC001571165842 952756031 /nfs/dbraw/zinc/75/60/31/952756031.db2.gz LYUBQRLZVSXJCT-XYPYZODXSA-N -1 1 380.416 0.420 20 0 GCADMM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571165998 952757028 /nfs/dbraw/zinc/75/70/28/952757028.db2.gz MLSQEAMIYHMBNQ-LLVKDONJSA-N -1 1 380.416 0.974 20 0 GCADMM O=C(c1n[nH]c2c1CCC2)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571165987 952757471 /nfs/dbraw/zinc/75/74/71/952757471.db2.gz JYANAEXZQCNLKV-SNVBAGLBSA-N -1 1 380.416 0.443 20 0 GCADMM O=C(c1n[nH]c2c1CCC2)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571165987 952757476 /nfs/dbraw/zinc/75/74/76/952757476.db2.gz JYANAEXZQCNLKV-SNVBAGLBSA-N -1 1 380.416 0.443 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C2CCC2)c1 ZINC001571166097 952758052 /nfs/dbraw/zinc/75/80/52/952758052.db2.gz NNCBEFQMAFXCRO-GFCCVEGCSA-N -1 1 380.416 0.587 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C2CCC2)c1 ZINC001571166097 952758058 /nfs/dbraw/zinc/75/80/58/952758058.db2.gz NNCBEFQMAFXCRO-GFCCVEGCSA-N -1 1 380.416 0.587 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571166132 952758125 /nfs/dbraw/zinc/75/81/25/952758125.db2.gz OKNALIPCVXPIRM-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1ncncc1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571166132 952758132 /nfs/dbraw/zinc/75/81/32/952758132.db2.gz OKNALIPCVXPIRM-LBPRGKRZSA-N -1 1 380.416 0.719 20 0 GCADMM Cc1nc(C(=O)N2CC[C@@H]3[C@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571166140 952758298 /nfs/dbraw/zinc/75/82/98/952758298.db2.gz OQCQLULJHNTOIX-BXUZGUMPSA-N -1 1 380.416 0.429 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cnn2c1CCCC2 ZINC001571166136 952758383 /nfs/dbraw/zinc/75/83/83/952758383.db2.gz OOLIGESKTTVYBX-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cnn2c1CCCC2 ZINC001571166136 952758388 /nfs/dbraw/zinc/75/83/88/952758388.db2.gz OOLIGESKTTVYBX-LLVKDONJSA-N -1 1 380.416 0.198 20 0 GCADMM O=C(CCc1cncnc1)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571166112 952758607 /nfs/dbraw/zinc/75/86/07/952758607.db2.gz NZWWGTPMZSFVTJ-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1cncnc1)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571166112 952758611 /nfs/dbraw/zinc/75/86/11/952758611.db2.gz NZWWGTPMZSFVTJ-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1ccncn1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166385 952760980 /nfs/dbraw/zinc/76/09/80/952760980.db2.gz RFPAIHUQXZQREI-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM O=C(CCc1ccncn1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166385 952760986 /nfs/dbraw/zinc/76/09/86/952760986.db2.gz RFPAIHUQXZQREI-ZDUSSCGKSA-N -1 1 380.416 0.482 20 0 GCADMM Cc1cnc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)cn1 ZINC001571166524 952761711 /nfs/dbraw/zinc/76/17/11/952761711.db2.gz SUSRFQSFUPDCNR-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cnc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)cn1 ZINC001571166524 952761715 /nfs/dbraw/zinc/76/17/15/952761715.db2.gz SUSRFQSFUPDCNR-RYUDHWBXSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571166506 952761945 /nfs/dbraw/zinc/76/19/45/952761945.db2.gz SSIMJIXCDBJPLV-NSHDSACASA-N -1 1 380.416 0.974 20 0 GCADMM O=C(c1c[nH]nc1C1CC1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571166506 952761947 /nfs/dbraw/zinc/76/19/47/952761947.db2.gz SSIMJIXCDBJPLV-NSHDSACASA-N -1 1 380.416 0.974 20 0 GCADMM O=C(c1cccnn1)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166460 952762223 /nfs/dbraw/zinc/76/22/23/952762223.db2.gz RXYSCDUCJMXYJH-LBPRGKRZSA-N -1 1 380.416 0.944 20 0 GCADMM O=C(c1cccnn1)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571166460 952762227 /nfs/dbraw/zinc/76/22/27/952762227.db2.gz RXYSCDUCJMXYJH-LBPRGKRZSA-N -1 1 380.416 0.944 20 0 GCADMM Cn1ncc(C2CC2)c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571166616 952762907 /nfs/dbraw/zinc/76/29/07/952762907.db2.gz UEZFTBHUYLVGRQ-LLVKDONJSA-N -1 1 380.416 0.016 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)cn1 ZINC001571166527 952763202 /nfs/dbraw/zinc/76/32/02/952763202.db2.gz SUSRFQSFUPDCNR-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM Cc1cnc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)cn1 ZINC001571166527 952763204 /nfs/dbraw/zinc/76/32/04/952763204.db2.gz SUSRFQSFUPDCNR-VXGBXAGGSA-N -1 1 380.416 0.542 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571166746 952763751 /nfs/dbraw/zinc/76/37/51/952763751.db2.gz VGDJIIFUOFOXCK-TUAOUCFPSA-N -1 1 380.416 0.096 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571166746 952763756 /nfs/dbraw/zinc/76/37/56/952763756.db2.gz VGDJIIFUOFOXCK-TUAOUCFPSA-N -1 1 380.416 0.096 20 0 GCADMM O=C([C@@H]1CCCc2n[nH]cc21)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571166769 952765105 /nfs/dbraw/zinc/76/51/05/952765105.db2.gz VSQBUMAXFHWNKV-GHMZBOCLSA-N -1 1 380.416 0.513 20 0 GCADMM O=C([C@@H]1CCCc2n[nH]cc21)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571166769 952765111 /nfs/dbraw/zinc/76/51/11/952765111.db2.gz VSQBUMAXFHWNKV-GHMZBOCLSA-N -1 1 380.416 0.513 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)c1ccncn1 ZINC001571166782 952765141 /nfs/dbraw/zinc/76/51/41/952765141.db2.gz VVWATZGXQBABMC-NWDGAFQWSA-N -1 1 380.416 0.847 20 0 GCADMM O=C(N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)c1ccncn1 ZINC001571166782 952765145 /nfs/dbraw/zinc/76/51/45/952765145.db2.gz VVWATZGXQBABMC-NWDGAFQWSA-N -1 1 380.416 0.847 20 0 GCADMM Cn1nccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571166793 952765489 /nfs/dbraw/zinc/76/54/89/952765489.db2.gz WBFUHLHLHDSXKZ-NEPJUHHUSA-N -1 1 380.416 0.274 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cn2c(n1)CCC2 ZINC001571166852 952766985 /nfs/dbraw/zinc/76/69/85/952766985.db2.gz XYVHKEGFSZUHSI-PHIMTYICSA-N -1 1 380.416 0.420 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cn2c(n1)CCC2 ZINC001571166852 952766987 /nfs/dbraw/zinc/76/69/87/952766987.db2.gz XYVHKEGFSZUHSI-PHIMTYICSA-N -1 1 380.416 0.420 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C1CC1 ZINC001571166961 952767486 /nfs/dbraw/zinc/76/74/86/952767486.db2.gz ZGELUJGPNCVHIR-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM Cn1ncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C1CC1 ZINC001571166961 952767490 /nfs/dbraw/zinc/76/74/90/952767490.db2.gz ZGELUJGPNCVHIR-NSHDSACASA-N -1 1 380.416 0.594 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)n1 ZINC001571166985 952767552 /nfs/dbraw/zinc/76/75/52/952767552.db2.gz ZYUSHRAETZVKGQ-KRWDZBQOSA-N -1 1 380.416 0.133 20 0 GCADMM Cn1ccc(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)n1 ZINC001571166985 952767557 /nfs/dbraw/zinc/76/75/57/952767557.db2.gz ZYUSHRAETZVKGQ-KRWDZBQOSA-N -1 1 380.416 0.133 20 0 GCADMM Cc1cnc(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cn1 ZINC001571166947 952768208 /nfs/dbraw/zinc/76/82/08/952768208.db2.gz YZZNKWNOLIBNGH-ZYHUDNBSSA-N -1 1 380.416 0.257 20 0 GCADMM Cc1cnc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cn1 ZINC001571166947 952768210 /nfs/dbraw/zinc/76/82/10/952768210.db2.gz YZZNKWNOLIBNGH-ZYHUDNBSSA-N -1 1 380.416 0.257 20 0 GCADMM CN(C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571169509 952774475 /nfs/dbraw/zinc/77/44/75/952774475.db2.gz FGWAVMAQXZNYOT-GMMGAPQESA-N -1 1 380.456 0.986 20 0 GCADMM CN(C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571169509 952774484 /nfs/dbraw/zinc/77/44/84/952774484.db2.gz FGWAVMAQXZNYOT-GMMGAPQESA-N -1 1 380.456 0.986 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571169947 952780962 /nfs/dbraw/zinc/78/09/62/952780962.db2.gz AGNGOQPCIFPEFB-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571169947 952780965 /nfs/dbraw/zinc/78/09/65/952780965.db2.gz AGNGOQPCIFPEFB-VXGBXAGGSA-N -1 1 381.400 0.532 20 0 GCADMM Cc1ccc([C@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C2CC2)cc1 ZINC001571169987 952781997 /nfs/dbraw/zinc/78/19/97/952781997.db2.gz BUVCFXSFNREFBP-HNNXBMFYSA-N -1 1 381.396 0.705 20 0 GCADMM Cc1ccc([C@@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C2CC2)cc1 ZINC001571169988 952782021 /nfs/dbraw/zinc/78/20/21/952782021.db2.gz BUVCFXSFNREFBP-OAHLLOKOSA-N -1 1 381.396 0.705 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2conc2C)n1 ZINC001571170145 952783753 /nfs/dbraw/zinc/78/37/53/952783753.db2.gz DPIKFQNAEBRRFF-QWRGUYRKSA-N -1 1 381.400 0.619 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2conc2C)n1 ZINC001571170145 952783757 /nfs/dbraw/zinc/78/37/57/952783757.db2.gz DPIKFQNAEBRRFF-QWRGUYRKSA-N -1 1 381.400 0.619 20 0 GCADMM CCN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571170185 952783856 /nfs/dbraw/zinc/78/38/56/952783856.db2.gz FRBFQNBYGBNRFV-GFCCVEGCSA-N -1 1 381.400 0.498 20 0 GCADMM CCN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571170185 952783857 /nfs/dbraw/zinc/78/38/57/952783857.db2.gz FRBFQNBYGBNRFV-GFCCVEGCSA-N -1 1 381.400 0.498 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571170170 952784189 /nfs/dbraw/zinc/78/41/89/952784189.db2.gz FANBVMCVNIAKPM-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571170170 952784194 /nfs/dbraw/zinc/78/41/94/952784194.db2.gz FANBVMCVNIAKPM-NWDGAFQWSA-N -1 1 381.400 0.532 20 0 GCADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)NC1(c2ccccc2)CCC1 ZINC001571170221 952784611 /nfs/dbraw/zinc/78/46/11/952784611.db2.gz GIZQTNQMEGTNEO-UHFFFAOYSA-N -1 1 381.396 0.715 20 0 GCADMM C[C@]12CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571170511 952787010 /nfs/dbraw/zinc/78/70/10/952787010.db2.gz VQZGUVWLSCQGQN-MNIOUWRPSA-N -1 1 380.456 0.988 20 0 GCADMM C[C@]12CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571170511 952787012 /nfs/dbraw/zinc/78/70/12/952787012.db2.gz VQZGUVWLSCQGQN-MNIOUWRPSA-N -1 1 380.456 0.988 20 0 GCADMM C[C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571170790 952788304 /nfs/dbraw/zinc/78/83/04/952788304.db2.gz LPCPBVCRWWEOGA-CMPLNLGQSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571171041 952790826 /nfs/dbraw/zinc/79/08/26/952790826.db2.gz MJBLRCSWPBZGIZ-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571171041 952790828 /nfs/dbraw/zinc/79/08/28/952790828.db2.gz MJBLRCSWPBZGIZ-QWRGUYRKSA-N -1 1 381.400 0.545 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(=O)n1C ZINC001571171252 952791719 /nfs/dbraw/zinc/79/17/19/952791719.db2.gz QFIQMYODRPVMND-QWRGUYRKSA-N -1 1 381.400 0.071 20 0 GCADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(=O)n1C ZINC001571171252 952791725 /nfs/dbraw/zinc/79/17/25/952791725.db2.gz QFIQMYODRPVMND-QWRGUYRKSA-N -1 1 381.400 0.071 20 0 GCADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571171763 952796768 /nfs/dbraw/zinc/79/67/68/952796768.db2.gz GFHCGMDCJRJTLF-BTFPBAQTSA-N -1 1 380.456 0.988 20 0 GCADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571171763 952796772 /nfs/dbraw/zinc/79/67/72/952796772.db2.gz GFHCGMDCJRJTLF-BTFPBAQTSA-N -1 1 380.456 0.988 20 0 GCADMM COc1cccnc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571174608 952810864 /nfs/dbraw/zinc/81/08/64/952810864.db2.gz BUOAKCYBLPETFF-UHFFFAOYSA-N -1 1 381.400 0.681 20 0 GCADMM COc1cccnc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571174608 952810870 /nfs/dbraw/zinc/81/08/70/952810870.db2.gz BUOAKCYBLPETFF-UHFFFAOYSA-N -1 1 381.400 0.681 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)c3cc[nH]c(=O)c3)CC2)n1 ZINC001571174839 952815371 /nfs/dbraw/zinc/81/53/71/952815371.db2.gz JWUUZUSBFMGNSE-UHFFFAOYSA-N -1 1 381.400 0.465 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)c3cc[nH]c(=O)c3)CC2)n1 ZINC001571174839 952815374 /nfs/dbraw/zinc/81/53/74/952815374.db2.gz JWUUZUSBFMGNSE-UHFFFAOYSA-N -1 1 381.400 0.465 20 0 GCADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001571174820 952815693 /nfs/dbraw/zinc/81/56/93/952815693.db2.gz JDJUXMVAPROYFU-UHFFFAOYSA-N -1 1 381.400 0.498 20 0 GCADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001571174820 952815702 /nfs/dbraw/zinc/81/57/02/952815702.db2.gz JDJUXMVAPROYFU-UHFFFAOYSA-N -1 1 381.400 0.498 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571174835 952815947 /nfs/dbraw/zinc/81/59/47/952815947.db2.gz JWLLVEWEHSDVNU-CMPLNLGQSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571174835 952815954 /nfs/dbraw/zinc/81/59/54/952815954.db2.gz JWLLVEWEHSDVNU-CMPLNLGQSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571174838 952816348 /nfs/dbraw/zinc/81/63/48/952816348.db2.gz JWLLVEWEHSDVNU-ZYHUDNBSSA-N -1 1 381.400 0.775 20 0 GCADMM COc1ccnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571174838 952816357 /nfs/dbraw/zinc/81/63/57/952816357.db2.gz JWLLVEWEHSDVNU-ZYHUDNBSSA-N -1 1 381.400 0.775 20 0 GCADMM COc1cc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)ccn1 ZINC001571174924 952817332 /nfs/dbraw/zinc/81/73/32/952817332.db2.gz MYQPCLFUZIOVPC-UMSPYCQHSA-N -1 1 381.400 0.681 20 0 GCADMM COc1cc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)ccn1 ZINC001571174924 952817344 /nfs/dbraw/zinc/81/73/44/952817344.db2.gz MYQPCLFUZIOVPC-UMSPYCQHSA-N -1 1 381.400 0.681 20 0 GCADMM COc1ncccc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571175097 952817920 /nfs/dbraw/zinc/81/79/20/952817920.db2.gz PGTXSBSPOAKZKM-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM COc1ncccc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571175097 952817925 /nfs/dbraw/zinc/81/79/25/952817925.db2.gz PGTXSBSPOAKZKM-LLVKDONJSA-N -1 1 381.400 0.411 20 0 GCADMM Cc1ncc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)o1 ZINC001571175326 952819331 /nfs/dbraw/zinc/81/93/31/952819331.db2.gz AUVSHVDWRXEQKF-OSMZGAPFSA-N -1 1 381.400 0.422 20 0 GCADMM Cc1ncc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)o1 ZINC001571175326 952819338 /nfs/dbraw/zinc/81/93/38/952819338.db2.gz AUVSHVDWRXEQKF-OSMZGAPFSA-N -1 1 381.400 0.422 20 0 GCADMM COc1cc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571175329 952819487 /nfs/dbraw/zinc/81/94/87/952819487.db2.gz SSTMZHIKYILIJQ-UHFFFAOYSA-N -1 1 381.400 0.681 20 0 GCADMM COc1cc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571175329 952819492 /nfs/dbraw/zinc/81/94/92/952819492.db2.gz SSTMZHIKYILIJQ-UHFFFAOYSA-N -1 1 381.400 0.681 20 0 GCADMM COc1cncc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571175327 952819749 /nfs/dbraw/zinc/81/97/49/952819749.db2.gz SRWRDBCDCLHGDV-NSHDSACASA-N -1 1 381.400 0.695 20 0 GCADMM COc1cncc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571175327 952819755 /nfs/dbraw/zinc/81/97/55/952819755.db2.gz SRWRDBCDCLHGDV-NSHDSACASA-N -1 1 381.400 0.695 20 0 GCADMM Cc1nocc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571175334 952820015 /nfs/dbraw/zinc/82/00/15/952820015.db2.gz AXLGAKJDSDXWHF-YOGCLGLASA-N -1 1 381.400 0.883 20 0 GCADMM Cc1nocc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571175334 952820023 /nfs/dbraw/zinc/82/00/23/952820023.db2.gz AXLGAKJDSDXWHF-YOGCLGLASA-N -1 1 381.400 0.883 20 0 GCADMM O=C(N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(=O)[nH]1 ZINC001571175399 952820409 /nfs/dbraw/zinc/82/04/09/952820409.db2.gz BZVHYXIYJGKRDA-QWRGUYRKSA-N -1 1 381.400 0.190 20 0 GCADMM COc1ccnc(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571175597 952822364 /nfs/dbraw/zinc/82/23/64/952822364.db2.gz WOMBTUVPNSNKBP-UHFFFAOYSA-N -1 1 381.400 0.413 20 0 GCADMM Cc1nocc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571175427 952822423 /nfs/dbraw/zinc/82/24/23/952822423.db2.gz CJPVJBCPHUTKTG-TUAOUCFPSA-N -1 1 381.400 0.740 20 0 GCADMM Cc1nocc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571175427 952822430 /nfs/dbraw/zinc/82/24/30/952822430.db2.gz CJPVJBCPHUTKTG-TUAOUCFPSA-N -1 1 381.400 0.740 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)ccc1=O ZINC001571175435 952822655 /nfs/dbraw/zinc/82/26/55/952822655.db2.gz CNPFYRKYEOEPQG-LBPRGKRZSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)ccc1=O ZINC001571175435 952822662 /nfs/dbraw/zinc/82/26/62/952822662.db2.gz CNPFYRKYEOEPQG-LBPRGKRZSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)ccc1=O ZINC001571175434 952822750 /nfs/dbraw/zinc/82/27/50/952822750.db2.gz CNPFYRKYEOEPQG-GFCCVEGCSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)ccc1=O ZINC001571175434 952822756 /nfs/dbraw/zinc/82/27/56/952822756.db2.gz CNPFYRKYEOEPQG-GFCCVEGCSA-N -1 1 381.400 0.072 20 0 GCADMM COc1cccnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571175563 952822829 /nfs/dbraw/zinc/82/28/29/952822829.db2.gz UZTBCBUFAZNKJK-LLVKDONJSA-N -1 1 381.400 0.459 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571175661 952823405 /nfs/dbraw/zinc/82/34/05/952823405.db2.gz DLYJLMZFWBQHAX-QGZVFWFLSA-N -1 1 381.400 0.696 20 0 GCADMM O=C(CCN1CCCC1=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001571175666 952824138 /nfs/dbraw/zinc/82/41/38/952824138.db2.gz DNKLVBMTMBZSED-UHFFFAOYSA-N -1 1 381.400 0.458 20 0 GCADMM Cc1cnoc1C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571175660 952824212 /nfs/dbraw/zinc/82/42/12/952824212.db2.gz DLYJLMZFWBQHAX-KRWDZBQOSA-N -1 1 381.400 0.696 20 0 GCADMM O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1)c1ncccc1[O-] ZINC001571175678 952824520 /nfs/dbraw/zinc/82/45/20/952824520.db2.gz DZZMLDBQECMNAI-MNOVXSKESA-N -1 1 381.400 0.768 20 0 GCADMM COc1cccnc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571175744 952825038 /nfs/dbraw/zinc/82/50/38/952825038.db2.gz YJMMZRNESFTQTF-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM COc1cccnc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571175744 952825043 /nfs/dbraw/zinc/82/50/43/952825043.db2.gz YJMMZRNESFTQTF-LLVKDONJSA-N -1 1 381.400 0.777 20 0 GCADMM Cc1nocc1C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571175902 952827024 /nfs/dbraw/zinc/82/70/24/952827024.db2.gz HJQOISPPCVGXKF-PXAZEXFGSA-N -1 1 381.400 0.885 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1coc(C2CC2)n1 ZINC001571175954 952828462 /nfs/dbraw/zinc/82/84/62/952828462.db2.gz JMLFZHHQQRWZBM-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1coc(C2CC2)n1 ZINC001571175954 952828466 /nfs/dbraw/zinc/82/84/66/952828466.db2.gz JMLFZHHQQRWZBM-LLVKDONJSA-N -1 1 381.400 0.921 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1noc2c1CCCC2 ZINC001571176092 952828637 /nfs/dbraw/zinc/82/86/37/952828637.db2.gz KTUSDKQKZNJNGL-JTQLQIEISA-N -1 1 381.400 0.532 20 0 GCADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1noc2c1CCCC2 ZINC001571176092 952828643 /nfs/dbraw/zinc/82/86/43/952828643.db2.gz KTUSDKQKZNJNGL-JTQLQIEISA-N -1 1 381.400 0.532 20 0 GCADMM Cn1ccc(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)cc1=O ZINC001571176290 952829387 /nfs/dbraw/zinc/82/93/87/952829387.db2.gz ODXCQMAWTCHJDB-UHFFFAOYSA-N -1 1 381.400 0.072 20 0 GCADMM Cn1ccc(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)cc1=O ZINC001571176290 952829392 /nfs/dbraw/zinc/82/93/92/952829392.db2.gz ODXCQMAWTCHJDB-UHFFFAOYSA-N -1 1 381.400 0.072 20 0 GCADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)c1cocn1 ZINC001571176157 952829705 /nfs/dbraw/zinc/82/97/05/952829705.db2.gz MUARFUCNFZNIRE-QJPTWQEYSA-N -1 1 381.400 0.680 20 0 GCADMM O=C(Cc1cnoc1)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571176337 952830240 /nfs/dbraw/zinc/83/02/40/952830240.db2.gz PUBIWPVPXSBKAF-VXGBXAGGSA-N -1 1 381.400 0.149 20 0 GCADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccc(=O)[nH]1 ZINC001571176375 952830635 /nfs/dbraw/zinc/83/06/35/952830635.db2.gz QTCFWNGUEZCNPJ-UHFFFAOYSA-N -1 1 381.400 0.404 20 0 GCADMM O=C(Cc1cnoc1)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571176334 952831174 /nfs/dbraw/zinc/83/11/74/952831174.db2.gz PUBIWPVPXSBKAF-NEPJUHHUSA-N -1 1 381.400 0.149 20 0 GCADMM O=C(Cc1ccon1)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571176399 952831547 /nfs/dbraw/zinc/83/15/47/952831547.db2.gz RCWSTABHWNUHGT-OLZOCXBDSA-N -1 1 381.400 0.727 20 0 GCADMM O=C(Cc1ccon1)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571176399 952831548 /nfs/dbraw/zinc/83/15/48/952831548.db2.gz RCWSTABHWNUHGT-OLZOCXBDSA-N -1 1 381.400 0.727 20 0 GCADMM Cc1nocc1C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571176610 952833179 /nfs/dbraw/zinc/83/31/79/952833179.db2.gz VSIXKSZQWKLFMF-ZDUSSCGKSA-N -1 1 381.400 0.742 20 0 GCADMM Cc1nocc1C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571176610 952833183 /nfs/dbraw/zinc/83/31/83/952833183.db2.gz VSIXKSZQWKLFMF-ZDUSSCGKSA-N -1 1 381.400 0.742 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cc[nH]c(=O)c1 ZINC001571176560 952833758 /nfs/dbraw/zinc/83/37/58/952833758.db2.gz UVSGRDLPEMXANX-JQWIXIFHSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cc[nH]c(=O)c1 ZINC001571176560 952833761 /nfs/dbraw/zinc/83/37/61/952833761.db2.gz UVSGRDLPEMXANX-JQWIXIFHSA-N -1 1 381.400 0.768 20 0 GCADMM O=C(c1cnc(C2CC2)o1)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571178176 952836268 /nfs/dbraw/zinc/83/62/68/952836268.db2.gz ALMOQXXLSKKFGN-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1cnc(C2CC2)o1)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571178176 952836273 /nfs/dbraw/zinc/83/62/73/952836273.db2.gz ALMOQXXLSKKFGN-UHFFFAOYSA-N -1 1 381.400 0.875 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001571178400 952840350 /nfs/dbraw/zinc/84/03/50/952840350.db2.gz HQBDUBFDUFKTMZ-AXFHLTTASA-N -1 1 381.404 0.128 20 0 GCADMM O=C(c1cn[nH]n1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001571178400 952840357 /nfs/dbraw/zinc/84/03/57/952840357.db2.gz HQBDUBFDUFKTMZ-AXFHLTTASA-N -1 1 381.404 0.128 20 0 GCADMM O=C(c1ccccn1)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571178605 952843719 /nfs/dbraw/zinc/84/37/19/952843719.db2.gz OTBWJBAHBYSKRH-UHFFFAOYSA-N -1 1 381.400 0.131 20 0 GCADMM O=C(c1ccccn1)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571178605 952843724 /nfs/dbraw/zinc/84/37/24/952843724.db2.gz OTBWJBAHBYSKRH-UHFFFAOYSA-N -1 1 381.400 0.131 20 0 GCADMM O=C(c1ncoc1C1CC1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571178646 952844474 /nfs/dbraw/zinc/84/44/74/952844474.db2.gz PROLOVVUARHKCA-NSHDSACASA-N -1 1 381.400 0.661 20 0 GCADMM O=C(c1cnco1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001571178786 952847198 /nfs/dbraw/zinc/84/71/98/952847198.db2.gz UGDGFZDQZVLZED-TUAOUCFPSA-N -1 1 381.400 0.998 20 0 GCADMM O=C(c1cnco1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001571178786 952847201 /nfs/dbraw/zinc/84/72/01/952847201.db2.gz UGDGFZDQZVLZED-TUAOUCFPSA-N -1 1 381.400 0.998 20 0 GCADMM O=C(c1cccc(=O)[nH]1)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571178904 952849798 /nfs/dbraw/zinc/84/97/98/952849798.db2.gz XIZNWTAAWIYSQJ-UHFFFAOYSA-N -1 1 381.400 0.722 20 0 GCADMM O=C(c1cccc(=O)[nH]1)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571178904 952849806 /nfs/dbraw/zinc/84/98/06/952849806.db2.gz XIZNWTAAWIYSQJ-UHFFFAOYSA-N -1 1 381.400 0.722 20 0 GCADMM CCS(=O)(=O)C1(CNC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001571183119 952874624 /nfs/dbraw/zinc/87/46/24/952874624.db2.gz PCSPYRJYCDHUQL-UHFFFAOYSA-N -1 1 381.418 0.359 20 0 GCADMM CCc1c(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)ccn1C ZINC001571183901 952884037 /nfs/dbraw/zinc/88/40/37/952884037.db2.gz MJMCCNZUQNFARA-GFCCVEGCSA-N -1 1 381.444 0.696 20 0 GCADMM CCc1c(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571183920 952885671 /nfs/dbraw/zinc/88/56/71/952885671.db2.gz MUNHEFRGTKBLKX-LBPRGKRZSA-N -1 1 381.444 0.909 20 0 GCADMM CCn1ccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1C ZINC001571184811 952896451 /nfs/dbraw/zinc/89/64/51/952896451.db2.gz DHNBOWZIICFJSF-DGCLKSJQSA-N -1 1 381.444 0.924 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CNC(=O)c3ccn(C)c3)C2)n1 ZINC001571185119 952900229 /nfs/dbraw/zinc/90/02/29/952900229.db2.gz ITNXCSRIECVYSJ-CYBMUJFWSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CNC(=O)c3ccn(C)c3)C2)n1 ZINC001571185119 952900230 /nfs/dbraw/zinc/90/02/30/952900230.db2.gz ITNXCSRIECVYSJ-CYBMUJFWSA-N -1 1 381.444 0.950 20 0 GCADMM Cc1c[nH]cc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571186657 952909314 /nfs/dbraw/zinc/90/93/14/952909314.db2.gz ZJECGZACLLMEQM-OLZOCXBDSA-N -1 1 381.444 0.925 20 0 GCADMM Cc1ccn(C)c1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571188888 952922117 /nfs/dbraw/zinc/92/21/17/952922117.db2.gz PARRQJZPBBCVJR-CYBMUJFWSA-N -1 1 381.444 0.948 20 0 GCADMM Cc1ccn(C)c1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571188888 952922119 /nfs/dbraw/zinc/92/21/19/952922119.db2.gz PARRQJZPBBCVJR-CYBMUJFWSA-N -1 1 381.444 0.948 20 0 GCADMM COc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)ncn1 ZINC001571193900 952954512 /nfs/dbraw/zinc/95/45/12/952954512.db2.gz GMSCSKPGGFZGCZ-NXEZZACHSA-N -1 1 382.388 0.170 20 0 GCADMM COc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)ncn1 ZINC001571193900 952954516 /nfs/dbraw/zinc/95/45/16/952954516.db2.gz GMSCSKPGGFZGCZ-NXEZZACHSA-N -1 1 382.388 0.170 20 0 GCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)CC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC001571193976 952955601 /nfs/dbraw/zinc/95/56/01/952955601.db2.gz CKOJOIFDQQBOFR-UHFFFAOYSA-N -1 1 382.384 0.811 20 0 GCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)CC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC001571193976 952955603 /nfs/dbraw/zinc/95/56/03/952955603.db2.gz CKOJOIFDQQBOFR-UHFFFAOYSA-N -1 1 382.384 0.811 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)ncn1 ZINC001571194112 952957923 /nfs/dbraw/zinc/95/79/23/952957923.db2.gz ITIBXXMUFRMAGO-KOLCDFICSA-N -1 1 382.388 0.028 20 0 GCADMM COc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)ncn1 ZINC001571194112 952957931 /nfs/dbraw/zinc/95/79/31/952957931.db2.gz ITIBXXMUFRMAGO-KOLCDFICSA-N -1 1 382.388 0.028 20 0 GCADMM O=C(N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(C(F)(F)F)CC1 ZINC001571194292 952960534 /nfs/dbraw/zinc/96/05/34/952960534.db2.gz JRLRKXBOGIXWPV-VIFPVBQESA-N -1 1 382.350 0.682 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571194566 952964729 /nfs/dbraw/zinc/96/47/29/952964729.db2.gz ONZJHASFIAUZRK-QFYYESIMSA-N -1 1 382.388 0.394 20 0 GCADMM O=C(c1cnon1)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571194566 952964733 /nfs/dbraw/zinc/96/47/33/952964733.db2.gz ONZJHASFIAUZRK-QFYYESIMSA-N -1 1 382.388 0.394 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001571194852 952969330 /nfs/dbraw/zinc/96/93/30/952969330.db2.gz SXNQTQDPRVLHGD-ZJUUUORDSA-N -1 1 382.384 0.328 20 0 GCADMM O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(=O)[nH]n1 ZINC001571194952 952970641 /nfs/dbraw/zinc/97/06/41/952970641.db2.gz VDNNMIPNJAGPEQ-ZJUUUORDSA-N -1 1 382.388 0.163 20 0 GCADMM O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(=O)[nH]n1 ZINC001571194952 952970647 /nfs/dbraw/zinc/97/06/47/952970647.db2.gz VDNNMIPNJAGPEQ-ZJUUUORDSA-N -1 1 382.388 0.163 20 0 GCADMM O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(=O)[nH]n1 ZINC001571194951 952971446 /nfs/dbraw/zinc/97/14/46/952971446.db2.gz VDNNMIPNJAGPEQ-VHSXEESVSA-N -1 1 382.388 0.163 20 0 GCADMM O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(=O)[nH]n1 ZINC001571194951 952971451 /nfs/dbraw/zinc/97/14/51/952971451.db2.gz VDNNMIPNJAGPEQ-VHSXEESVSA-N -1 1 382.388 0.163 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571195187 952975289 /nfs/dbraw/zinc/97/52/89/952975289.db2.gz YYTYATVYNJUFLX-SNVBAGLBSA-N -1 1 382.388 0.177 20 0 GCADMM Cc1nc[nH]c(=O)c1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571195187 952975295 /nfs/dbraw/zinc/97/52/95/952975295.db2.gz YYTYATVYNJUFLX-SNVBAGLBSA-N -1 1 382.388 0.177 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571201161 953014917 /nfs/dbraw/zinc/01/49/17/953014917.db2.gz OMMUPNZGDFCVFJ-UEWQWGSTSA-N -1 1 382.428 0.165 20 0 GCADMM C[C@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571201161 953014923 /nfs/dbraw/zinc/01/49/23/953014923.db2.gz OMMUPNZGDFCVFJ-UEWQWGSTSA-N -1 1 382.428 0.165 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cccn2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571204567 953029748 /nfs/dbraw/zinc/02/97/48/953029748.db2.gz BFRZELRMZGBOEQ-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cccn2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571204567 953029753 /nfs/dbraw/zinc/02/97/53/953029753.db2.gz BFRZELRMZGBOEQ-QWHCGFSZSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cccn2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571204566 953029831 /nfs/dbraw/zinc/02/98/31/953029831.db2.gz BFRZELRMZGBOEQ-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM C[C@@H]1CN(C(=O)Cn2cccn2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571204566 953029837 /nfs/dbraw/zinc/02/98/37/953029837.db2.gz BFRZELRMZGBOEQ-OLZOCXBDSA-N -1 1 382.432 0.450 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571204526 953030084 /nfs/dbraw/zinc/03/00/84/953030084.db2.gz ABVOERHFFHZYGV-NSHDSACASA-N -1 1 382.432 0.445 20 0 GCADMM CCc1c[nH]c(CC(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571204526 953030088 /nfs/dbraw/zinc/03/00/88/953030088.db2.gz ABVOERHFFHZYGV-NSHDSACASA-N -1 1 382.432 0.445 20 0 GCADMM CCCn1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)n1 ZINC001571204529 953030552 /nfs/dbraw/zinc/03/05/52/953030552.db2.gz ADJPBRZPDZLXSQ-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCCn1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)n1 ZINC001571204529 953030555 /nfs/dbraw/zinc/03/05/55/953030555.db2.gz ADJPBRZPDZLXSQ-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCCn1cc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001571204554 953030564 /nfs/dbraw/zinc/03/05/64/953030564.db2.gz AVDIGZKLCHBFMN-UHFFFAOYSA-N -1 1 382.432 0.662 20 0 GCADMM CCCn1cc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001571204554 953030568 /nfs/dbraw/zinc/03/05/68/953030568.db2.gz AVDIGZKLCHBFMN-UHFFFAOYSA-N -1 1 382.432 0.662 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)Cc3ncc[nH]3)C2)n1 ZINC001571204524 953030701 /nfs/dbraw/zinc/03/07/01/953030701.db2.gz ABRINGTZOCEXSE-NSHDSACASA-N -1 1 382.432 0.222 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)Cc3ncc[nH]3)C2)n1 ZINC001571204524 953030705 /nfs/dbraw/zinc/03/07/05/953030705.db2.gz ABRINGTZOCEXSE-NSHDSACASA-N -1 1 382.432 0.222 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1ccnc1 ZINC001571204556 953030732 /nfs/dbraw/zinc/03/07/32/953030732.db2.gz AZHYSGJTOIFVET-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1ccnc1 ZINC001571204556 953030736 /nfs/dbraw/zinc/03/07/36/953030736.db2.gz AZHYSGJTOIFVET-OLZOCXBDSA-N -1 1 382.432 0.907 20 0 GCADMM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571204660 953031361 /nfs/dbraw/zinc/03/13/61/953031361.db2.gz CCJNQQTXCQSLSA-HAQNSBGRSA-N -1 1 382.432 0.477 20 0 GCADMM O=C(C1=COCCC1)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571204661 953031617 /nfs/dbraw/zinc/03/16/17/953031617.db2.gz BBXWFZHBMRWIPP-SFHVURJKSA-N -1 1 382.428 0.780 20 0 GCADMM O=C(C1=COCCC1)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571204661 953031622 /nfs/dbraw/zinc/03/16/22/953031622.db2.gz BBXWFZHBMRWIPP-SFHVURJKSA-N -1 1 382.428 0.780 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001571204621 953031657 /nfs/dbraw/zinc/03/16/57/953031657.db2.gz BRCAPJNGWUONRZ-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)c1 ZINC001571204621 953031661 /nfs/dbraw/zinc/03/16/61/953031661.db2.gz BRCAPJNGWUONRZ-DGCLKSJQSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)n1cccn1 ZINC001571204597 953031851 /nfs/dbraw/zinc/03/18/51/953031851.db2.gz BKZWZHZKXWZTBE-STQMWFEESA-N -1 1 382.432 0.187 20 0 GCADMM O=C(C1=CCOCC1)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571204694 953032277 /nfs/dbraw/zinc/03/22/77/953032277.db2.gz CBZDLMPKZWUHJD-ZFWWWQNUSA-N -1 1 382.428 0.431 20 0 GCADMM O=C(C1=CCOCC1)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571204694 953032279 /nfs/dbraw/zinc/03/22/79/953032279.db2.gz CBZDLMPKZWUHJD-ZFWWWQNUSA-N -1 1 382.428 0.431 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571204832 953032542 /nfs/dbraw/zinc/03/25/42/953032542.db2.gz CIGPENOUAZGSOO-UHFFFAOYSA-N -1 1 382.432 0.669 20 0 GCADMM CCc1nn(C)cc1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571204832 953032547 /nfs/dbraw/zinc/03/25/47/953032547.db2.gz CIGPENOUAZGSOO-UHFFFAOYSA-N -1 1 382.432 0.669 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001571204903 953033308 /nfs/dbraw/zinc/03/33/08/953033308.db2.gz FMSXQQYIFNNRFC-NWDGAFQWSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)c2cncn2C)C1 ZINC001571204903 953033311 /nfs/dbraw/zinc/03/33/11/953033311.db2.gz FMSXQQYIFNNRFC-NWDGAFQWSA-N -1 1 382.432 0.743 20 0 GCADMM CC(C)(C)n1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571205066 953035432 /nfs/dbraw/zinc/03/54/32/953035432.db2.gz GAZCGUJIEKDGMD-NSHDSACASA-N -1 1 382.432 0.357 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571205175 953035795 /nfs/dbraw/zinc/03/57/95/953035795.db2.gz GWLXYGZBDHZJQA-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205175 953035801 /nfs/dbraw/zinc/03/58/01/953035801.db2.gz GWLXYGZBDHZJQA-DGCLKSJQSA-N -1 1 382.432 0.743 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c(C)n1 ZINC001571205217 953036986 /nfs/dbraw/zinc/03/69/86/953036986.db2.gz HRCDTPVNJOTJEX-UHFFFAOYSA-N -1 1 382.432 0.534 20 0 GCADMM O=C(C1=COCCC1)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571205369 953037285 /nfs/dbraw/zinc/03/72/85/953037285.db2.gz IHDWAQTUYSRLQG-KGLIPLIRSA-N -1 1 382.428 0.921 20 0 GCADMM O=C(C1=COCCC1)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571205369 953037288 /nfs/dbraw/zinc/03/72/88/953037288.db2.gz IHDWAQTUYSRLQG-KGLIPLIRSA-N -1 1 382.428 0.921 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571205221 953037294 /nfs/dbraw/zinc/03/72/94/953037294.db2.gz HZRMYOPEYCRQIL-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571205221 953037298 /nfs/dbraw/zinc/03/72/98/953037298.db2.gz HZRMYOPEYCRQIL-RYUDHWBXSA-N -1 1 382.432 0.601 20 0 GCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001571205429 953038277 /nfs/dbraw/zinc/03/82/77/953038277.db2.gz IBXQQHKJBFDNMQ-NWDGAFQWSA-N -1 1 382.432 0.743 20 0 GCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC001571205429 953038282 /nfs/dbraw/zinc/03/82/82/953038282.db2.gz IBXQQHKJBFDNMQ-NWDGAFQWSA-N -1 1 382.432 0.743 20 0 GCADMM CC1(C)CN(C(=O)CCn2ccnc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571205502 953038903 /nfs/dbraw/zinc/03/89/03/953038903.db2.gz KIGRFYAXXCNOER-GFCCVEGCSA-N -1 1 382.432 0.014 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)C2)[nH]n1 ZINC001571205486 953039022 /nfs/dbraw/zinc/03/90/22/953039022.db2.gz JYZMHABNHKJCRA-NSHDSACASA-N -1 1 382.432 0.513 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)C2)[nH]n1 ZINC001571205486 953039024 /nfs/dbraw/zinc/03/90/24/953039024.db2.gz JYZMHABNHKJCRA-NSHDSACASA-N -1 1 382.432 0.513 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205515 953039152 /nfs/dbraw/zinc/03/91/52/953039152.db2.gz KYTRLNAPHFNJMF-QGZVFWFLSA-N -1 1 382.432 0.328 20 0 GCADMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCn2ccnc2)C1 ZINC001571205496 953039171 /nfs/dbraw/zinc/03/91/71/953039171.db2.gz KFLJTJSLGKFKJR-QGZVFWFLSA-N -1 1 382.432 0.594 20 0 GCADMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCn2ccnc2)C1 ZINC001571205496 953039176 /nfs/dbraw/zinc/03/91/76/953039176.db2.gz KFLJTJSLGKFKJR-QGZVFWFLSA-N -1 1 382.432 0.594 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571205609 953040565 /nfs/dbraw/zinc/04/05/65/953040565.db2.gz LPGBSYYLPKKIGW-NEPJUHHUSA-N -1 1 382.432 0.106 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571205609 953040568 /nfs/dbraw/zinc/04/05/68/953040568.db2.gz LPGBSYYLPKKIGW-NEPJUHHUSA-N -1 1 382.432 0.106 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)nn1C ZINC001571205714 953041113 /nfs/dbraw/zinc/04/11/13/953041113.db2.gz NIDXUZFFHJLSBP-JQWIXIFHSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)nn1C ZINC001571205714 953041116 /nfs/dbraw/zinc/04/11/16/953041116.db2.gz NIDXUZFFHJLSBP-JQWIXIFHSA-N -1 1 382.432 0.668 20 0 GCADMM CC(C)Cn1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571205780 953042464 /nfs/dbraw/zinc/04/24/64/953042464.db2.gz LXAQKFVUJGQEKS-TXEJJXNPSA-N -1 1 382.432 0.882 20 0 GCADMM CC(C)Cn1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571205780 953042468 /nfs/dbraw/zinc/04/24/68/953042468.db2.gz LXAQKFVUJGQEKS-TXEJJXNPSA-N -1 1 382.432 0.882 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571205883 953043857 /nfs/dbraw/zinc/04/38/57/953043857.db2.gz NIZCLMKCCTVZNV-QWRGUYRKSA-N -1 1 382.432 0.966 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nn1C ZINC001571205918 953045161 /nfs/dbraw/zinc/04/51/61/953045161.db2.gz OIRPCZPKTHUIEY-YGRLFVJLSA-N -1 1 382.432 0.525 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nn1C ZINC001571205918 953045162 /nfs/dbraw/zinc/04/51/62/953045162.db2.gz OIRPCZPKTHUIEY-YGRLFVJLSA-N -1 1 382.432 0.525 20 0 GCADMM C[C@@H]1CN(C(=O)CCn2cccn2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571205972 953045324 /nfs/dbraw/zinc/04/53/24/953045324.db2.gz PIPNWMUWRGXDKG-OLZOCXBDSA-N -1 1 382.432 0.592 20 0 GCADMM C[C@@H]1CN(C(=O)CCn2cccn2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571205972 953045327 /nfs/dbraw/zinc/04/53/27/953045327.db2.gz PIPNWMUWRGXDKG-OLZOCXBDSA-N -1 1 382.432 0.592 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571206012 953045766 /nfs/dbraw/zinc/04/57/66/953045766.db2.gz QSWLQRJFZTWQSF-GHMZBOCLSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571206012 953045771 /nfs/dbraw/zinc/04/57/71/953045771.db2.gz QSWLQRJFZTWQSF-GHMZBOCLSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)nn1C ZINC001571206006 953045859 /nfs/dbraw/zinc/04/58/59/953045859.db2.gz QSIYDDKXSLDMKG-GFCCVEGCSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571206006 953045864 /nfs/dbraw/zinc/04/58/64/953045864.db2.gz QSIYDDKXSLDMKG-GFCCVEGCSA-N -1 1 382.432 0.304 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571206016 953046214 /nfs/dbraw/zinc/04/62/14/953046214.db2.gz QVZNEHXJRDZAIS-UHFFFAOYSA-N -1 1 382.432 0.683 20 0 GCADMM CCc1nc[nH]c1C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571206016 953046217 /nfs/dbraw/zinc/04/62/17/953046217.db2.gz QVZNEHXJRDZAIS-UHFFFAOYSA-N -1 1 382.432 0.683 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571206132 953047326 /nfs/dbraw/zinc/04/73/26/953047326.db2.gz DNTWINHZQHIIDN-CYBMUJFWSA-N -1 1 382.432 0.153 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571206132 953047330 /nfs/dbraw/zinc/04/73/30/953047330.db2.gz DNTWINHZQHIIDN-CYBMUJFWSA-N -1 1 382.432 0.153 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)n(C)n1 ZINC001571206160 953048032 /nfs/dbraw/zinc/04/80/32/953048032.db2.gz RYMZOEOGPZNEMF-JQWIXIFHSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)n(C)n1 ZINC001571206160 953048036 /nfs/dbraw/zinc/04/80/36/953048036.db2.gz RYMZOEOGPZNEMF-JQWIXIFHSA-N -1 1 382.432 0.668 20 0 GCADMM Cc1c(CC(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)cnn1C ZINC001571206161 953048163 /nfs/dbraw/zinc/04/81/63/953048163.db2.gz DRVSZMQMCFTXTN-UHFFFAOYSA-N -1 1 382.432 0.344 20 0 GCADMM Cc1c(CC(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)cnn1C ZINC001571206161 953048166 /nfs/dbraw/zinc/04/81/66/953048166.db2.gz DRVSZMQMCFTXTN-UHFFFAOYSA-N -1 1 382.432 0.344 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cn[nH]c2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571206218 953048256 /nfs/dbraw/zinc/04/82/56/953048256.db2.gz SFEQWHHTNCINRB-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM C[C@H]1CN(C(=O)CCc2cn[nH]c2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571206218 953048257 /nfs/dbraw/zinc/04/82/57/953048257.db2.gz SFEQWHHTNCINRB-WCQYABFASA-N -1 1 382.432 0.662 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001571206189 953048475 /nfs/dbraw/zinc/04/84/75/953048475.db2.gz SBXZSUZWXPGLIS-JQWIXIFHSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001571206189 953048476 /nfs/dbraw/zinc/04/84/76/953048476.db2.gz SBXZSUZWXPGLIS-JQWIXIFHSA-N -1 1 382.432 0.730 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)CCc1ccnn1C ZINC001571206235 953049150 /nfs/dbraw/zinc/04/91/50/953049150.db2.gz SMHBBRRRFFRQJN-VXGBXAGGSA-N -1 1 382.432 0.424 20 0 GCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)CCc1ccnn1C ZINC001571206235 953049155 /nfs/dbraw/zinc/04/91/55/953049155.db2.gz SMHBBRRRFFRQJN-VXGBXAGGSA-N -1 1 382.432 0.424 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571206286 953049340 /nfs/dbraw/zinc/04/93/40/953049340.db2.gz STETWAHHPPZSGL-ZDUSSCGKSA-N -1 1 382.432 0.980 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571206286 953049342 /nfs/dbraw/zinc/04/93/42/953049342.db2.gz STETWAHHPPZSGL-ZDUSSCGKSA-N -1 1 382.432 0.980 20 0 GCADMM Cc1[nH]nc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206279 953049429 /nfs/dbraw/zinc/04/94/29/953049429.db2.gz FHKHUARIQTVUBN-LBPRGKRZSA-N -1 1 382.432 0.704 20 0 GCADMM CCn1cc(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571206285 953049519 /nfs/dbraw/zinc/04/95/19/953049519.db2.gz FHVXLURUNDOSTM-LBPRGKRZSA-N -1 1 382.432 0.520 20 0 GCADMM CCn1cc(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571206285 953049522 /nfs/dbraw/zinc/04/95/22/953049522.db2.gz FHVXLURUNDOSTM-LBPRGKRZSA-N -1 1 382.432 0.520 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](C)N(C(=O)CCc3cn[nH]c3)C2)n1 ZINC001571206391 953049910 /nfs/dbraw/zinc/04/99/10/953049910.db2.gz GFIBJQMQFSSTDJ-AAEUAGOBSA-N -1 1 382.432 0.722 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](C)N(C(=O)CCc3cn[nH]c3)C2)n1 ZINC001571206391 953049913 /nfs/dbraw/zinc/04/99/13/953049913.db2.gz GFIBJQMQFSSTDJ-AAEUAGOBSA-N -1 1 382.432 0.722 20 0 GCADMM CCc1cc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)nn1C ZINC001571206437 953050697 /nfs/dbraw/zinc/05/06/97/953050697.db2.gz UPAYFNZATVPYJI-KRWDZBQOSA-N -1 1 382.432 0.351 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571206399 953051095 /nfs/dbraw/zinc/05/10/95/953051095.db2.gz GHOGFFIHUVTBQB-ZDUSSCGKSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](C)N(C(=O)CCc3cn[nH]c3)C2)n1 ZINC001571206395 953051411 /nfs/dbraw/zinc/05/14/11/953051411.db2.gz GFIBJQMQFSSTDJ-YPMHNXCESA-N -1 1 382.432 0.722 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](C)N(C(=O)CCc3cn[nH]c3)C2)n1 ZINC001571206395 953051413 /nfs/dbraw/zinc/05/14/13/953051413.db2.gz GFIBJQMQFSSTDJ-YPMHNXCESA-N -1 1 382.432 0.722 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)[nH]n1 ZINC001571206517 953051775 /nfs/dbraw/zinc/05/17/75/953051775.db2.gz VCQLHJJGRXGFRF-PWSUYJOCSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)[nH]n1 ZINC001571206517 953051779 /nfs/dbraw/zinc/05/17/79/953051779.db2.gz VCQLHJJGRXGFRF-PWSUYJOCSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)[nH]n1 ZINC001571206520 953052080 /nfs/dbraw/zinc/05/20/80/953052080.db2.gz VCQLHJJGRXGFRF-ZYHUDNBSSA-N -1 1 382.432 0.730 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)[nH]n1 ZINC001571206520 953052082 /nfs/dbraw/zinc/05/20/82/953052082.db2.gz VCQLHJJGRXGFRF-ZYHUDNBSSA-N -1 1 382.432 0.730 20 0 GCADMM Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2c2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001571206525 953052139 /nfs/dbraw/zinc/05/21/39/953052139.db2.gz HUYCRKRJBDQMKK-LBPRGKRZSA-N -1 1 382.432 0.786 20 0 GCADMM Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2c2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001571206525 953052140 /nfs/dbraw/zinc/05/21/40/953052140.db2.gz HUYCRKRJBDQMKK-LBPRGKRZSA-N -1 1 382.432 0.786 20 0 GCADMM CCn1cnc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571206477 953052255 /nfs/dbraw/zinc/05/22/55/953052255.db2.gz HEXOIEOPHSHQEX-QGZVFWFLSA-N -1 1 382.432 0.259 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cnc(C)n3C)C2)n1 ZINC001571206565 953053059 /nfs/dbraw/zinc/05/30/59/953053059.db2.gz VKQLUUTYBKNVIB-NSHDSACASA-N -1 1 382.432 0.270 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cnc(C)n3C)C2)n1 ZINC001571206565 953053062 /nfs/dbraw/zinc/05/30/62/953053062.db2.gz VKQLUUTYBKNVIB-NSHDSACASA-N -1 1 382.432 0.270 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571206674 953053836 /nfs/dbraw/zinc/05/38/36/953053836.db2.gz WBNIXADYHPNEKW-JQWIXIFHSA-N -1 1 382.432 0.375 20 0 GCADMM CCc1nn(C)cc1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571206662 953054169 /nfs/dbraw/zinc/05/41/69/953054169.db2.gz VXHJEGWKXIOPOO-QWRGUYRKSA-N -1 1 382.432 0.668 20 0 GCADMM CCc1nn(C)cc1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571206662 953054172 /nfs/dbraw/zinc/05/41/72/953054172.db2.gz VXHJEGWKXIOPOO-QWRGUYRKSA-N -1 1 382.432 0.668 20 0 GCADMM CCn1ccc(CC(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571206811 953056130 /nfs/dbraw/zinc/05/61/30/953056130.db2.gz KVMVVDSKIVPXEN-CYBMUJFWSA-N -1 1 382.432 0.153 20 0 GCADMM CCn1ccc(CC(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571206811 953056133 /nfs/dbraw/zinc/05/61/33/953056133.db2.gz KVMVVDSKIVPXEN-CYBMUJFWSA-N -1 1 382.432 0.153 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571206819 953056268 /nfs/dbraw/zinc/05/62/68/953056268.db2.gz KYEHFMPHRCSJSV-JQWIXIFHSA-N -1 1 382.432 0.580 20 0 GCADMM Cc1nc[nH]c1CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571206819 953056272 /nfs/dbraw/zinc/05/62/72/953056272.db2.gz KYEHFMPHRCSJSV-JQWIXIFHSA-N -1 1 382.432 0.580 20 0 GCADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cn2ccnc2)CC1 ZINC001571206800 953056585 /nfs/dbraw/zinc/05/65/85/953056585.db2.gz XKSSJTHSTLUXIE-UHFFFAOYSA-N -1 1 382.432 0.737 20 0 GCADMM CCc1n[nH]cc1C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206830 953056657 /nfs/dbraw/zinc/05/66/57/953056657.db2.gz XRBYQTCUSBUCGL-NSHDSACASA-N -1 1 382.432 0.541 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571206814 953056693 /nfs/dbraw/zinc/05/66/93/953056693.db2.gz XQGGGHIZKMUJBV-GFCCVEGCSA-N -1 1 382.432 0.649 20 0 GCADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206814 953056695 /nfs/dbraw/zinc/05/66/95/953056695.db2.gz XQGGGHIZKMUJBV-GFCCVEGCSA-N -1 1 382.432 0.649 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571206880 953056873 /nfs/dbraw/zinc/05/68/73/953056873.db2.gz YONJCRUWXJKPCU-GHMZBOCLSA-N -1 1 382.432 0.762 20 0 GCADMM CCc1nc[nH]c1C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571206880 953056876 /nfs/dbraw/zinc/05/68/76/953056876.db2.gz YONJCRUWXJKPCU-GHMZBOCLSA-N -1 1 382.432 0.762 20 0 GCADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1=COCCC1 ZINC001571206955 953057851 /nfs/dbraw/zinc/05/78/51/953057851.db2.gz USPVCADCQXFEPN-STQMWFEESA-N -1 1 382.428 0.612 20 0 GCADMM CCc1nc[nH]c1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571206986 953058040 /nfs/dbraw/zinc/05/80/40/953058040.db2.gz YZDSAZFKODQOAG-NSHDSACASA-N -1 1 382.432 0.731 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571207013 953058456 /nfs/dbraw/zinc/05/84/56/953058456.db2.gz ZSWFKSGJQRXCPF-ZDUSSCGKSA-N -1 1 382.432 0.980 20 0 GCADMM CCCn1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571207013 953058459 /nfs/dbraw/zinc/05/84/59/953058459.db2.gz ZSWFKSGJQRXCPF-ZDUSSCGKSA-N -1 1 382.432 0.980 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)Cn1cccn1)c1cncc(-c2nnn[n-]2)n1 ZINC001571207088 953058869 /nfs/dbraw/zinc/05/88/69/953058869.db2.gz MUEATRKHNARZSA-ZDUSSCGKSA-N -1 1 382.432 0.371 20 0 GCADMM CN(C[C@@H]1CCCCN1C(=O)Cn1cccn1)c1cncc(-c2nn[n-]n2)n1 ZINC001571207088 953058872 /nfs/dbraw/zinc/05/88/72/953058872.db2.gz MUEATRKHNARZSA-ZDUSSCGKSA-N -1 1 382.432 0.371 20 0 GCADMM Cc1c[nH]c(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)n1 ZINC001571207069 953058982 /nfs/dbraw/zinc/05/89/82/953058982.db2.gz MLTWPIFXJYHPDS-LBPRGKRZSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1c[nH]c(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)n1 ZINC001571207069 953058983 /nfs/dbraw/zinc/05/89/83/953058983.db2.gz MLTWPIFXJYHPDS-LBPRGKRZSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1c(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)cnn1C ZINC001571207033 953059501 /nfs/dbraw/zinc/05/95/01/953059501.db2.gz LMOSITIBLKOLMX-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1c(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)cnn1C ZINC001571207033 953059504 /nfs/dbraw/zinc/05/95/04/953059504.db2.gz LMOSITIBLKOLMX-LBPRGKRZSA-N -1 1 382.432 0.805 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)Cn3cccn3)CC2)n1 ZINC001571207171 953059916 /nfs/dbraw/zinc/05/99/16/953059916.db2.gz OEQGQOTXBGELRN-ZDUSSCGKSA-N -1 1 382.432 0.337 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)Cn3cccn3)CC2)n1 ZINC001571207171 953059919 /nfs/dbraw/zinc/05/99/19/953059919.db2.gz OEQGQOTXBGELRN-ZDUSSCGKSA-N -1 1 382.432 0.337 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571207138 953060100 /nfs/dbraw/zinc/06/01/00/953060100.db2.gz WFJMABDAZPSCBT-VHNQTQRYSA-N -1 1 382.428 0.387 20 0 GCADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571207138 953060104 /nfs/dbraw/zinc/06/01/04/953060104.db2.gz WFJMABDAZPSCBT-VHNQTQRYSA-N -1 1 382.428 0.387 20 0 GCADMM CCn1ncc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)c1C ZINC001571207270 953060707 /nfs/dbraw/zinc/06/07/07/953060707.db2.gz PIWZUAOYOWZVJH-JQWIXIFHSA-N -1 1 382.432 0.319 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001571207204 953060778 /nfs/dbraw/zinc/06/07/78/953060778.db2.gz WZGMBYIRDXUNNA-RYUDHWBXSA-N -1 1 382.432 0.454 20 0 GCADMM C[C@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001571207204 953060783 /nfs/dbraw/zinc/06/07/83/953060783.db2.gz WZGMBYIRDXUNNA-RYUDHWBXSA-N -1 1 382.432 0.454 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571207264 953060856 /nfs/dbraw/zinc/06/08/56/953060856.db2.gz PFNOUNVRDIUVPM-NWDGAFQWSA-N -1 1 382.432 0.836 20 0 GCADMM CCn1nccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571207264 953060859 /nfs/dbraw/zinc/06/08/59/953060859.db2.gz PFNOUNVRDIUVPM-NWDGAFQWSA-N -1 1 382.432 0.836 20 0 GCADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001571207222 953061261 /nfs/dbraw/zinc/06/12/61/953061261.db2.gz XPWSDJHENVTNCQ-NSHDSACASA-N -1 1 382.432 0.443 20 0 GCADMM Cc1n[nH]cc1C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571207318 953061635 /nfs/dbraw/zinc/06/16/35/953061635.db2.gz QQRTUJIIYVDTDB-GFCCVEGCSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1n[nH]cc1C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571207318 953061638 /nfs/dbraw/zinc/06/16/38/953061638.db2.gz QQRTUJIIYVDTDB-GFCCVEGCSA-N -1 1 382.432 0.867 20 0 GCADMM Cc1n[nH]cc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571207286 953061800 /nfs/dbraw/zinc/06/18/00/953061800.db2.gz PNTJWQYHOOOHDF-GWCFXTLKSA-N -1 1 382.432 0.463 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571207295 953061904 /nfs/dbraw/zinc/06/19/04/953061904.db2.gz PTJMRDMMQVRCSU-VXGBXAGGSA-N -1 1 382.432 0.139 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571207295 953061908 /nfs/dbraw/zinc/06/19/08/953061908.db2.gz PTJMRDMMQVRCSU-VXGBXAGGSA-N -1 1 382.432 0.139 20 0 GCADMM Cc1c(C(=O)N[C@@H]2CC[C@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571207311 953062042 /nfs/dbraw/zinc/06/20/42/953062042.db2.gz QIPVPHOWJXNOCF-CMPLNLGQSA-N -1 1 382.432 0.486 20 0 GCADMM CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001571207361 953062402 /nfs/dbraw/zinc/06/24/02/953062402.db2.gz YNPDUKIJNBFITF-GFCCVEGCSA-N -1 1 382.432 0.573 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571207389 953062429 /nfs/dbraw/zinc/06/24/29/953062429.db2.gz ZJMRSODYPTVHRL-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571207389 953062433 /nfs/dbraw/zinc/06/24/33/953062433.db2.gz ZJMRSODYPTVHRL-UHFFFAOYSA-N -1 1 382.432 0.640 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571207417 953062518 /nfs/dbraw/zinc/06/25/18/953062518.db2.gz RFIFFSIPLIRTDJ-LBPRGKRZSA-N -1 1 382.432 0.376 20 0 GCADMM CCn1cc(CC(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571207417 953062521 /nfs/dbraw/zinc/06/25/21/953062521.db2.gz RFIFFSIPLIRTDJ-LBPRGKRZSA-N -1 1 382.432 0.376 20 0 GCADMM C[C@@H]1CCN(C(=O)Cn2cccn2)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207431 953062993 /nfs/dbraw/zinc/06/29/93/953062993.db2.gz RMZQEOLHUXZVSL-OLZOCXBDSA-N -1 1 382.432 0.014 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571207467 953063560 /nfs/dbraw/zinc/06/35/60/953063560.db2.gz SDFWHEWTCJLMKM-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571207467 953063565 /nfs/dbraw/zinc/06/35/65/953063565.db2.gz SDFWHEWTCJLMKM-GFCCVEGCSA-N -1 1 382.432 0.580 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571207527 953064491 /nfs/dbraw/zinc/06/44/91/953064491.db2.gz VQCRYYIKLQMKQX-VXGBXAGGSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571207527 953064494 /nfs/dbraw/zinc/06/44/94/953064494.db2.gz VQCRYYIKLQMKQX-VXGBXAGGSA-N -1 1 382.432 0.884 20 0 GCADMM CCn1cnc(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001571207564 953064499 /nfs/dbraw/zinc/06/44/99/953064499.db2.gz WVVXVVNTBZYPAQ-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM CCn1cnc(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001571207564 953064501 /nfs/dbraw/zinc/06/45/01/953064501.db2.gz WVVXVVNTBZYPAQ-LBPRGKRZSA-N -1 1 382.432 0.662 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2ccn(C)n2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571207521 953064528 /nfs/dbraw/zinc/06/45/28/953064528.db2.gz VPNPZZQVRRPKJB-GFCCVEGCSA-N -1 1 382.432 0.379 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)c2ccn(C)n2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571207521 953064530 /nfs/dbraw/zinc/06/45/30/953064530.db2.gz VPNPZZQVRRPKJB-GFCCVEGCSA-N -1 1 382.432 0.379 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571207571 953064605 /nfs/dbraw/zinc/06/46/05/953064605.db2.gz XBCMSOHWAOSNSS-RYUDHWBXSA-N -1 1 382.432 0.897 20 0 GCADMM CCn1nc(C)cc1C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571207571 953064607 /nfs/dbraw/zinc/06/46/07/953064607.db2.gz XBCMSOHWAOSNSS-RYUDHWBXSA-N -1 1 382.432 0.897 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207567 953064646 /nfs/dbraw/zinc/06/46/46/953064646.db2.gz WZINHUFSWVBAOQ-LBPRGKRZSA-N -1 1 382.432 0.581 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207567 953064648 /nfs/dbraw/zinc/06/46/48/953064648.db2.gz WZINHUFSWVBAOQ-LBPRGKRZSA-N -1 1 382.432 0.581 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)c3ccn(C)n3)CC2)n1 ZINC001571207550 953064772 /nfs/dbraw/zinc/06/47/72/953064772.db2.gz WBPLGDFCZTVMMI-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)c3ccn(C)n3)CC2)n1 ZINC001571207550 953064774 /nfs/dbraw/zinc/06/47/74/953064774.db2.gz WBPLGDFCZTVMMI-UHFFFAOYSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 ZINC001571207599 953065157 /nfs/dbraw/zinc/06/51/57/953065157.db2.gz XPGCFKSLDORGRH-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 ZINC001571207599 953065158 /nfs/dbraw/zinc/06/51/58/953065158.db2.gz XPGCFKSLDORGRH-CYBMUJFWSA-N -1 1 382.432 0.289 20 0 GCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)CCc2ccn(C)n2)C1 ZINC001571207597 953065471 /nfs/dbraw/zinc/06/54/71/953065471.db2.gz XOEIBWQTLBPMCM-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)CCc2ccn(C)n2)C1 ZINC001571207597 953065473 /nfs/dbraw/zinc/06/54/73/953065473.db2.gz XOEIBWQTLBPMCM-ZDUSSCGKSA-N -1 1 382.432 0.060 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571207691 953065956 /nfs/dbraw/zinc/06/59/56/953065956.db2.gz ZYIHOLMHWARKRV-ZWNOBZJWSA-N -1 1 382.432 0.436 20 0 GCADMM CCn1ccnc1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571207691 953065962 /nfs/dbraw/zinc/06/59/62/953065962.db2.gz ZYIHOLMHWARKRV-ZWNOBZJWSA-N -1 1 382.432 0.436 20 0 GCADMM Cc1c(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cnn1C ZINC001571207687 953066171 /nfs/dbraw/zinc/06/61/71/953066171.db2.gz ZTMRJSAAKXJJRK-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM Cc1c(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cnn1C ZINC001571207687 953066174 /nfs/dbraw/zinc/06/61/74/953066174.db2.gz ZTMRJSAAKXJJRK-LBPRGKRZSA-N -1 1 382.432 0.724 20 0 GCADMM O=C(CCn1ccnc1)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571209722 953066916 /nfs/dbraw/zinc/06/69/16/953066916.db2.gz BSFINMHAEDNWMX-ZDUSSCGKSA-N -1 1 382.432 0.737 20 0 GCADMM O=C(CCn1ccnc1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571209722 953066920 /nfs/dbraw/zinc/06/69/20/953066920.db2.gz BSFINMHAEDNWMX-ZDUSSCGKSA-N -1 1 382.432 0.737 20 0 GCADMM Cn1nccc1C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571209994 953069434 /nfs/dbraw/zinc/06/94/34/953069434.db2.gz KYTRUISTSMGSMV-GFCCVEGCSA-N -1 1 382.432 0.887 20 0 GCADMM Cn1nccc1C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571209994 953069439 /nfs/dbraw/zinc/06/94/39/953069439.db2.gz KYTRUISTSMGSMV-GFCCVEGCSA-N -1 1 382.432 0.887 20 0 GCADMM O=C(CCn1cccn1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571210747 953073504 /nfs/dbraw/zinc/07/35/04/953073504.db2.gz WGQBBYNZOXXLFR-ZDUSSCGKSA-N -1 1 382.432 0.594 20 0 GCADMM O=C(CCn1cccn1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571210747 953073508 /nfs/dbraw/zinc/07/35/08/953073508.db2.gz WGQBBYNZOXXLFR-ZDUSSCGKSA-N -1 1 382.432 0.594 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571210890 953075229 /nfs/dbraw/zinc/07/52/29/953075229.db2.gz ZLJZJTORFXHDTF-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM O=C(Cc1ncc[nH]1)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571210890 953075234 /nfs/dbraw/zinc/07/52/34/953075234.db2.gz ZLJZJTORFXHDTF-VXGBXAGGSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571211438 953076325 /nfs/dbraw/zinc/07/63/25/953076325.db2.gz ARIGRHFQOWAMAH-LBPRGKRZSA-N -1 1 382.432 0.292 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3nccnc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571211419 953076508 /nfs/dbraw/zinc/07/65/08/953076508.db2.gz AKMKDWWLBHXFOO-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3nccnc3-c3nn[n-]n3)C2)n(C)n1 ZINC001571211419 953076511 /nfs/dbraw/zinc/07/65/11/953076511.db2.gz AKMKDWWLBHXFOO-NWDGAFQWSA-N -1 1 382.432 0.486 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)n1 ZINC001571211490 953077089 /nfs/dbraw/zinc/07/70/89/953077089.db2.gz BSADETGJCQKCIB-ZDUSSCGKSA-N -1 1 382.432 0.425 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)n1 ZINC001571211490 953077092 /nfs/dbraw/zinc/07/70/92/953077092.db2.gz BSADETGJCQKCIB-ZDUSSCGKSA-N -1 1 382.432 0.425 20 0 GCADMM Cc1cc(C)n(CC(=O)N(C)C2CC(Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571211629 953079935 /nfs/dbraw/zinc/07/99/35/953079935.db2.gz DBSZVPHNMAVTJM-UHFFFAOYSA-N -1 1 382.432 0.572 20 0 GCADMM Cc1cc(C)n(CC(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571211629 953079940 /nfs/dbraw/zinc/07/99/40/953079940.db2.gz DBSZVPHNMAVTJM-UHFFFAOYSA-N -1 1 382.432 0.572 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571211832 953081526 /nfs/dbraw/zinc/08/15/26/953081526.db2.gz GVPKSPJQPRPQHI-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cn(C)nc1C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571211832 953081529 /nfs/dbraw/zinc/08/15/29/953081529.db2.gz GVPKSPJQPRPQHI-VXGBXAGGSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1C ZINC001571211835 953081556 /nfs/dbraw/zinc/08/15/56/953081556.db2.gz GWTPHRQOVVYAFA-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1ncc(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1C ZINC001571211835 953081561 /nfs/dbraw/zinc/08/15/61/953081561.db2.gz GWTPHRQOVVYAFA-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)n(C)n1 ZINC001571211828 953081758 /nfs/dbraw/zinc/08/17/58/953081758.db2.gz GQDAGJQTTNAFDN-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1cc(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)n(C)n1 ZINC001571211828 953081762 /nfs/dbraw/zinc/08/17/62/953081762.db2.gz GQDAGJQTTNAFDN-UHFFFAOYSA-N -1 1 382.432 0.345 20 0 GCADMM Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212113 953083546 /nfs/dbraw/zinc/08/35/46/953083546.db2.gz JAARREQSRQXZOA-LBPRGKRZSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1cnn(CCC(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571212181 953084812 /nfs/dbraw/zinc/08/48/12/953084812.db2.gz KOPDIMPKJZJOQH-CYBMUJFWSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1cnn(CCC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571212181 953084818 /nfs/dbraw/zinc/08/48/18/953084818.db2.gz KOPDIMPKJZJOQH-CYBMUJFWSA-N -1 1 382.432 0.655 20 0 GCADMM Cc1cc(C)n(CC(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571212156 953085128 /nfs/dbraw/zinc/08/51/28/953085128.db2.gz KBUHIBXQUIMXFB-UHFFFAOYSA-N -1 1 382.432 0.209 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212316 953086699 /nfs/dbraw/zinc/08/66/99/953086699.db2.gz LLTDKRXVSOAMOE-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncn(C)c1C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212316 953086703 /nfs/dbraw/zinc/08/67/03/953086703.db2.gz LLTDKRXVSOAMOE-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212308 953087206 /nfs/dbraw/zinc/08/72/06/953087206.db2.gz LIXKEEPJXFZWJR-LBPRGKRZSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212308 953087213 /nfs/dbraw/zinc/08/72/13/953087213.db2.gz LIXKEEPJXFZWJR-LBPRGKRZSA-N -1 1 382.432 0.263 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571212336 953087286 /nfs/dbraw/zinc/08/72/86/953087286.db2.gz MALJKMAHGDLNGF-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571212336 953087291 /nfs/dbraw/zinc/08/72/91/953087291.db2.gz MALJKMAHGDLNGF-NEPJUHHUSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571212397 953087798 /nfs/dbraw/zinc/08/77/98/953087798.db2.gz NOIGERKNGZQLRN-JTQLQIEISA-N -1 1 382.432 0.449 20 0 GCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571212397 953087800 /nfs/dbraw/zinc/08/78/00/953087800.db2.gz NOIGERKNGZQLRN-JTQLQIEISA-N -1 1 382.432 0.449 20 0 GCADMM Cn1ccc(CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571212382 953088176 /nfs/dbraw/zinc/08/81/76/953088176.db2.gz NCFADBKVVLSRLR-CHWSQXEVSA-N -1 1 382.432 0.472 20 0 GCADMM Cn1ccc(CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571212382 953088179 /nfs/dbraw/zinc/08/81/79/953088179.db2.gz NCFADBKVVLSRLR-CHWSQXEVSA-N -1 1 382.432 0.472 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)n(C)n1 ZINC001571212726 953090473 /nfs/dbraw/zinc/09/04/73/953090473.db2.gz OPAWELZAYPGXMU-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)n(C)n1 ZINC001571212726 953090478 /nfs/dbraw/zinc/09/04/78/953090478.db2.gz OPAWELZAYPGXMU-NWDGAFQWSA-N -1 1 382.432 0.709 20 0 GCADMM Cc1nn(C)cc1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212829 953090853 /nfs/dbraw/zinc/09/08/53/953090853.db2.gz PLNLDAHOEBEXAE-LBPRGKRZSA-N -1 1 382.432 0.227 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571213053 953092603 /nfs/dbraw/zinc/09/26/03/953092603.db2.gz QEZILWVFPVCRGG-RYUDHWBXSA-N -1 1 382.432 0.791 20 0 GCADMM Cn1ccc(C(=O)N[C@H]2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571213053 953092608 /nfs/dbraw/zinc/09/26/08/953092608.db2.gz QEZILWVFPVCRGG-RYUDHWBXSA-N -1 1 382.432 0.791 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)n1C ZINC001571213414 953094058 /nfs/dbraw/zinc/09/40/58/953094058.db2.gz SGIGMSHLCNGHAX-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)n1C ZINC001571213414 953094061 /nfs/dbraw/zinc/09/40/61/953094061.db2.gz SGIGMSHLCNGHAX-JQWIXIFHSA-N -1 1 382.432 0.661 20 0 GCADMM Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571213420 953094144 /nfs/dbraw/zinc/09/41/44/953094144.db2.gz SMNVRIDHDYANGN-VXGBXAGGSA-N -1 1 382.432 0.723 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)n(C)n1 ZINC001571213794 953097301 /nfs/dbraw/zinc/09/73/01/953097301.db2.gz VUDNYDLXUTXICS-LBPRGKRZSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1cc(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)n(C)n1 ZINC001571213794 953097303 /nfs/dbraw/zinc/09/73/03/953097303.db2.gz VUDNYDLXUTXICS-LBPRGKRZSA-N -1 1 382.432 0.663 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571213814 953097605 /nfs/dbraw/zinc/09/76/05/953097605.db2.gz WPDHAHJXPQGNMI-UHFFFAOYSA-N -1 1 382.432 0.738 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571213866 953098780 /nfs/dbraw/zinc/09/87/80/953098780.db2.gz XXKSZJTVGOWGHW-ZWNOBZJWSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1nn(C)cc1CC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571213866 953098783 /nfs/dbraw/zinc/09/87/83/953098783.db2.gz XXKSZJTVGOWGHW-ZWNOBZJWSA-N -1 1 382.432 0.343 20 0 GCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571214190 953100452 /nfs/dbraw/zinc/10/04/52/953100452.db2.gz ZBPYEPGOHATVDC-UWJYBYFXSA-N -1 1 382.432 0.859 20 0 GCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571214190 953100454 /nfs/dbraw/zinc/10/04/54/953100454.db2.gz ZBPYEPGOHATVDC-UWJYBYFXSA-N -1 1 382.432 0.859 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571214165 953100486 /nfs/dbraw/zinc/10/04/86/953100486.db2.gz YUGCMHLKYPIMGA-NEPJUHHUSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1cnn(C)c1C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571214165 953100489 /nfs/dbraw/zinc/10/04/89/953100489.db2.gz YUGCMHLKYPIMGA-NEPJUHHUSA-N -1 1 382.432 0.852 20 0 GCADMM Cc1nn(C)cc1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571214279 953100538 /nfs/dbraw/zinc/10/05/38/953100538.db2.gz ZZYMJJWHXHDALH-LBPRGKRZSA-N -1 1 382.432 0.488 20 0 GCADMM Cn1cc(C(=O)N2CCC(CCNc3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001571214284 953100603 /nfs/dbraw/zinc/10/06/03/953100603.db2.gz ZZZVBGZXRROGEZ-UHFFFAOYSA-N -1 1 382.432 0.745 20 0 GCADMM Cn1cc(C(=O)N2CCC(CCNc3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001571214284 953100604 /nfs/dbraw/zinc/10/06/04/953100604.db2.gz ZZZVBGZXRROGEZ-UHFFFAOYSA-N -1 1 382.432 0.745 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001571217333 953107280 /nfs/dbraw/zinc/10/72/80/953107280.db2.gz IHLKKZOZTXRUBQ-GHMZBOCLSA-N -1 1 383.391 0.575 20 0 GCADMM COc1cc(=O)[nH]cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571217311 953107424 /nfs/dbraw/zinc/10/74/24/953107424.db2.gz IDGNKSUDAAHBCI-SECBINFHSA-N -1 1 383.372 0.093 20 0 GCADMM COc1cc(=O)[nH]cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571217311 953107426 /nfs/dbraw/zinc/10/74/26/953107426.db2.gz IDGNKSUDAAHBCI-SECBINFHSA-N -1 1 383.372 0.093 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2F)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571217416 953107956 /nfs/dbraw/zinc/10/79/56/953107956.db2.gz LHDZZEXUAYUGJI-QWRGUYRKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2F)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571217416 953107959 /nfs/dbraw/zinc/10/79/59/953107959.db2.gz LHDZZEXUAYUGJI-QWRGUYRKSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2F)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571217415 953108296 /nfs/dbraw/zinc/10/82/96/953108296.db2.gz LHDZZEXUAYUGJI-MNOVXSKESA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2F)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571217415 953108298 /nfs/dbraw/zinc/10/82/98/953108298.db2.gz LHDZZEXUAYUGJI-MNOVXSKESA-N -1 1 383.391 0.978 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)co1 ZINC001571217573 953109265 /nfs/dbraw/zinc/10/92/65/953109265.db2.gz NXDWSEZMRILVOW-SNVBAGLBSA-N -1 1 383.372 0.065 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)co1 ZINC001571217573 953109267 /nfs/dbraw/zinc/10/92/67/953109267.db2.gz NXDWSEZMRILVOW-SNVBAGLBSA-N -1 1 383.372 0.065 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571218254 953113903 /nfs/dbraw/zinc/11/39/03/953113903.db2.gz UGRCLKBXFXFGNF-ZWNOBZJWSA-N -1 1 383.391 0.692 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571218254 953113905 /nfs/dbraw/zinc/11/39/05/953113905.db2.gz UGRCLKBXFXFGNF-ZWNOBZJWSA-N -1 1 383.391 0.692 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571218570 953117295 /nfs/dbraw/zinc/11/72/95/953117295.db2.gz WZLQSHPVZOZLAD-SNVBAGLBSA-N -1 1 383.372 0.065 20 0 GCADMM NC(=O)c1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571218570 953117298 /nfs/dbraw/zinc/11/72/98/953117298.db2.gz WZLQSHPVZOZLAD-SNVBAGLBSA-N -1 1 383.372 0.065 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571218740 953119120 /nfs/dbraw/zinc/11/91/20/953119120.db2.gz ZZVGYJVFXXECLQ-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571218740 953119126 /nfs/dbraw/zinc/11/91/26/953119126.db2.gz ZZVGYJVFXXECLQ-GXFFZTMASA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571218741 953119144 /nfs/dbraw/zinc/11/91/44/953119144.db2.gz ZZVGYJVFXXECLQ-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571218741 953119147 /nfs/dbraw/zinc/11/91/47/953119147.db2.gz ZZVGYJVFXXECLQ-MFKMUULPSA-N -1 1 383.391 0.978 20 0 GCADMM O=C(c1ccncc1F)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571218920 953120691 /nfs/dbraw/zinc/12/06/91/953120691.db2.gz HBHHFPOBDSVPBK-NSHDSACASA-N -1 1 383.391 0.577 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571218900 953120916 /nfs/dbraw/zinc/12/09/16/953120916.db2.gz GKKFQTQQWXMDKI-MNOVXSKESA-N -1 1 383.391 0.722 20 0 GCADMM O=C(c1cc(F)c[nH]1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571218900 953120919 /nfs/dbraw/zinc/12/09/19/953120919.db2.gz GKKFQTQQWXMDKI-MNOVXSKESA-N -1 1 383.391 0.722 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccc(F)cn1 ZINC001571218961 953121725 /nfs/dbraw/zinc/12/17/25/953121725.db2.gz IBJLRDISQZPQEY-GFCCVEGCSA-N -1 1 383.391 0.980 20 0 GCADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccc(F)cn1 ZINC001571218961 953121727 /nfs/dbraw/zinc/12/17/27/953121727.db2.gz IBJLRDISQZPQEY-GFCCVEGCSA-N -1 1 383.391 0.980 20 0 GCADMM CCc1ccc(CCNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001571219041 953122493 /nfs/dbraw/zinc/12/24/93/953122493.db2.gz KCWCAHQEVOTNJB-UHFFFAOYSA-N -1 1 383.412 0.440 20 0 GCADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ncccc1F ZINC001571219200 953123982 /nfs/dbraw/zinc/12/39/82/953123982.db2.gz LVSKYENKESJGAK-ZYHUDNBSSA-N -1 1 383.391 0.623 20 0 GCADMM O=C(Cc1ccc(F)cn1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219273 953124278 /nfs/dbraw/zinc/12/42/78/953124278.db2.gz NFBMNAWOSAOUDZ-ZDUSSCGKSA-N -1 1 383.391 0.836 20 0 GCADMM O=C(Cc1ccc(F)cn1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219273 953124279 /nfs/dbraw/zinc/12/42/79/953124279.db2.gz NFBMNAWOSAOUDZ-ZDUSSCGKSA-N -1 1 383.391 0.836 20 0 GCADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ncccc1F ZINC001571219199 953124522 /nfs/dbraw/zinc/12/45/22/953124522.db2.gz LVSKYENKESJGAK-PWSUYJOCSA-N -1 1 383.391 0.623 20 0 GCADMM CO[C@]12CCC[C@@]1(NS(=O)(=O)c1ccc(-c3nn[n-]n3)c(F)c1)CCO2 ZINC001571219486 953126029 /nfs/dbraw/zinc/12/60/29/953126029.db2.gz PCDJRURYNDCMHI-CABCVRRESA-N -1 1 383.405 0.970 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)c1cc(F)c[nH]1 ZINC001571220028 953128456 /nfs/dbraw/zinc/12/84/56/953128456.db2.gz WWIHRQSSZDKTQZ-LBPRGKRZSA-N -1 1 383.391 0.913 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)c1cc(F)c[nH]1 ZINC001571220028 953128458 /nfs/dbraw/zinc/12/84/58/953128458.db2.gz WWIHRQSSZDKTQZ-LBPRGKRZSA-N -1 1 383.391 0.913 20 0 GCADMM COC(=O)[C@@]1(C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1C ZINC001571220177 953129599 /nfs/dbraw/zinc/12/95/99/953129599.db2.gz YJODUDLJECASTM-VFZGTOFNSA-N -1 1 383.405 0.826 20 0 GCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001571222073 953130247 /nfs/dbraw/zinc/13/02/47/953130247.db2.gz BEJZHYBSEDOPQL-YPMHNXCESA-N -1 1 383.416 0.348 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)no1 ZINC001571222156 953131824 /nfs/dbraw/zinc/13/18/24/953131824.db2.gz DGRZHVPWYXYLHH-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)no1 ZINC001571222156 953131825 /nfs/dbraw/zinc/13/18/25/953131825.db2.gz DGRZHVPWYXYLHH-QWRGUYRKSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ocnc1C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571222262 953132605 /nfs/dbraw/zinc/13/26/05/953132605.db2.gz BSXGRFRXOKUZAM-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1ocnc1C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571222262 953132607 /nfs/dbraw/zinc/13/26/07/953132607.db2.gz BSXGRFRXOKUZAM-NSHDSACASA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)c3ncoc3C)C2)n1 ZINC001571222308 953133346 /nfs/dbraw/zinc/13/33/46/953133346.db2.gz GGFGXYGKPDCBFG-NSHDSACASA-N -1 1 383.416 0.866 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)c3ncoc3C)C2)n1 ZINC001571222308 953133349 /nfs/dbraw/zinc/13/33/49/953133349.db2.gz GGFGXYGKPDCBFG-NSHDSACASA-N -1 1 383.416 0.866 20 0 GCADMM CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222281 953133636 /nfs/dbraw/zinc/13/36/36/953133636.db2.gz FZKNRQZWRVLXTM-NSHDSACASA-N -1 1 383.416 0.907 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571222474 953134647 /nfs/dbraw/zinc/13/46/47/953134647.db2.gz GGBAJRIFRQNTNH-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571222474 953134648 /nfs/dbraw/zinc/13/46/48/953134648.db2.gz GGBAJRIFRQNTNH-GHMZBOCLSA-N -1 1 383.416 0.994 20 0 GCADMM CC(C)c1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571222656 953136559 /nfs/dbraw/zinc/13/65/59/953136559.db2.gz KQWTUFFQTHTKAB-CMPLNLGQSA-N -1 1 383.416 0.763 20 0 GCADMM C[C@@H]1CN(C(=O)Cc2cnoc2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571222645 953136619 /nfs/dbraw/zinc/13/66/19/953136619.db2.gz KINZHWMRTBCKDJ-YPMHNXCESA-N -1 1 383.416 0.206 20 0 GCADMM CC(C)c1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571222659 953136753 /nfs/dbraw/zinc/13/67/53/953136753.db2.gz KQWTUFFQTHTKAB-PWSUYJOCSA-N -1 1 383.416 0.763 20 0 GCADMM CC(C)c1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)on1 ZINC001571222658 953137036 /nfs/dbraw/zinc/13/70/36/953137036.db2.gz KQWTUFFQTHTKAB-JQWIXIFHSA-N -1 1 383.416 0.763 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222954 953140422 /nfs/dbraw/zinc/14/04/22/953140422.db2.gz OFJRVSGVJWPHGS-LLVKDONJSA-N -1 1 383.416 0.593 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571223065 953141193 /nfs/dbraw/zinc/14/11/93/953141193.db2.gz PXZOJAOKVCAXCO-LLVKDONJSA-N -1 1 383.416 0.996 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001571223168 953142598 /nfs/dbraw/zinc/14/25/98/953142598.db2.gz PBKRTEFOTAXJQR-TZMCWYRMSA-N -1 1 383.416 0.019 20 0 GCADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001571223168 953142604 /nfs/dbraw/zinc/14/26/04/953142604.db2.gz PBKRTEFOTAXJQR-TZMCWYRMSA-N -1 1 383.416 0.019 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571223298 953142842 /nfs/dbraw/zinc/14/28/42/953142842.db2.gz SOBBQZXLOAIYLK-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CCc1oncc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571223298 953142844 /nfs/dbraw/zinc/14/28/44/953142844.db2.gz SOBBQZXLOAIYLK-NSHDSACASA-N -1 1 383.416 0.996 20 0 GCADMM CC(C)c1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)no1 ZINC001571223502 953143978 /nfs/dbraw/zinc/14/39/78/953143978.db2.gz RRXHQSGBKSHPJI-LLVKDONJSA-N -1 1 383.416 0.907 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)Cc3cnoc3)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571223530 953145326 /nfs/dbraw/zinc/14/53/26/953145326.db2.gz UIXIJHREPALKOB-JQWIXIFHSA-N -1 1 383.416 0.851 20 0 GCADMM CCc1nc(N[C@H]2CCN(C(=O)Cc3cnoc3)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571223530 953145328 /nfs/dbraw/zinc/14/53/28/953145328.db2.gz UIXIJHREPALKOB-JQWIXIFHSA-N -1 1 383.416 0.851 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571223605 953146273 /nfs/dbraw/zinc/14/62/73/953146273.db2.gz XAYAWCMPKWVLPS-CMPLNLGQSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1oncc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571223605 953146275 /nfs/dbraw/zinc/14/62/75/953146275.db2.gz XAYAWCMPKWVLPS-CMPLNLGQSA-N -1 1 383.416 0.994 20 0 GCADMM CC1(C)CN(C(=O)CCc2ccon2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571223733 953146292 /nfs/dbraw/zinc/14/62/92/953146292.db2.gz UDADURLKSCVOPD-CYBMUJFWSA-N -1 1 383.416 0.926 20 0 GCADMM CC1(C)CN(C(=O)CCc2ccon2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571223733 953146294 /nfs/dbraw/zinc/14/62/94/953146294.db2.gz UDADURLKSCVOPD-CYBMUJFWSA-N -1 1 383.416 0.926 20 0 GCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)c3coc(C)n3)C2)n1 ZINC001571223721 953146463 /nfs/dbraw/zinc/14/64/63/953146463.db2.gz TXUNBIYMXIMGQX-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)c3coc(C)n3)C2)n1 ZINC001571223721 953146467 /nfs/dbraw/zinc/14/64/67/953146467.db2.gz TXUNBIYMXIMGQX-LLVKDONJSA-N -1 1 383.416 0.772 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2ccon2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571223786 953146759 /nfs/dbraw/zinc/14/67/59/953146759.db2.gz VLJPFEINBPOQEE-YPMHNXCESA-N -1 1 383.416 0.926 20 0 GCADMM CC[C@@H]1CN(C(=O)Cc2ccon2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571223786 953146760 /nfs/dbraw/zinc/14/67/60/953146760.db2.gz VLJPFEINBPOQEE-YPMHNXCESA-N -1 1 383.416 0.926 20 0 GCADMM CN(C[C@H]1CCCN(C(=O)Cc2cnoc2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571223891 953147486 /nfs/dbraw/zinc/14/74/86/953147486.db2.gz ZKKVWSZQWKMUNX-GFCCVEGCSA-N -1 1 383.416 0.562 20 0 GCADMM CCc1oncc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571223847 953147552 /nfs/dbraw/zinc/14/75/52/953147552.db2.gz YIEIKEVLIAMTOU-ZYHUDNBSSA-N -1 1 383.416 0.592 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571223890 953147974 /nfs/dbraw/zinc/14/79/74/953147974.db2.gz ZJJAXBHVNAVQDS-ZYHUDNBSSA-N -1 1 383.416 0.994 20 0 GCADMM CCc1ncoc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571223890 953147975 /nfs/dbraw/zinc/14/79/75/953147975.db2.gz ZJJAXBHVNAVQDS-ZYHUDNBSSA-N -1 1 383.416 0.994 20 0 GCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)Cc2cnoc2)CC1 ZINC001571223988 953148565 /nfs/dbraw/zinc/14/85/65/953148565.db2.gz WSGNPONVVUWTMZ-NSHDSACASA-N -1 1 383.416 0.926 20 0 GCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)Cc2cnoc2)CC1 ZINC001571223988 953148569 /nfs/dbraw/zinc/14/85/69/953148569.db2.gz WSGNPONVVUWTMZ-NSHDSACASA-N -1 1 383.416 0.926 20 0 GCADMM CC[C@@H]1CN(C(=O)c2coc(C)n2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571224009 953148704 /nfs/dbraw/zinc/14/87/04/953148704.db2.gz WXRUGSAHSUXHCT-VXGBXAGGSA-N -1 1 383.416 0.728 20 0 GCADMM CCc1nc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571224118 953149168 /nfs/dbraw/zinc/14/91/68/953149168.db2.gz YNAFQGHHZADGDV-QGZVFWFLSA-N -1 1 383.416 0.914 20 0 GCADMM CCc1nc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571224118 953149171 /nfs/dbraw/zinc/14/91/71/953149171.db2.gz YNAFQGHHZADGDV-QGZVFWFLSA-N -1 1 383.416 0.914 20 0 GCADMM Cc1ncoc1C(=O)N1CCC([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571224927 953151310 /nfs/dbraw/zinc/15/13/10/953151310.db2.gz GYGPFCQARHBEHE-JTQLQIEISA-N -1 1 383.416 0.728 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)o1 ZINC001571224967 953152000 /nfs/dbraw/zinc/15/20/00/953152000.db2.gz HOYPYUXEEGQZBQ-ZWNOBZJWSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1ncc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)o1 ZINC001571224967 953152003 /nfs/dbraw/zinc/15/20/03/953152003.db2.gz HOYPYUXEEGQZBQ-ZWNOBZJWSA-N -1 1 383.416 0.845 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)Cc3cnoc3)CC[C@@H]2C)n1 ZINC001571225661 953153602 /nfs/dbraw/zinc/15/36/02/953153602.db2.gz MPKLMXVHVXALMM-WCQYABFASA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)Cc3cnoc3)CC[C@@H]2C)n1 ZINC001571225661 953153606 /nfs/dbraw/zinc/15/36/06/953153606.db2.gz MPKLMXVHVXALMM-WCQYABFASA-N -1 1 383.416 0.669 20 0 GCADMM Cc1nc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)c(C)o1 ZINC001571225672 953154607 /nfs/dbraw/zinc/15/46/07/953154607.db2.gz NGMNHWHYIZQMOS-BXKDBHETSA-N -1 1 383.416 0.504 20 0 GCADMM Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571225935 953154625 /nfs/dbraw/zinc/15/46/25/953154625.db2.gz OPNLALXLMUBQQP-VXGBXAGGSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571225935 953154626 /nfs/dbraw/zinc/15/46/26/953154626.db2.gz OPNLALXLMUBQQP-VXGBXAGGSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ncc(CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571226394 953155280 /nfs/dbraw/zinc/15/52/80/953155280.db2.gz PSFBVOJIFSHILC-GFCCVEGCSA-N -1 1 383.416 0.411 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226381 953155554 /nfs/dbraw/zinc/15/55/54/953155554.db2.gz PNXFBVARNMBIRL-LBPRGKRZSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1noc(C)c1CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226381 953155555 /nfs/dbraw/zinc/15/55/55/953155555.db2.gz PNXFBVARNMBIRL-LBPRGKRZSA-N -1 1 383.416 0.907 20 0 GCADMM Cc1c[nH]cc1C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571226465 953156076 /nfs/dbraw/zinc/15/60/76/953156076.db2.gz RJIQQCSLWLMJAX-KRWDZBQOSA-N -1 1 383.416 0.372 20 0 GCADMM Cc1c[nH]cc1C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571226465 953156077 /nfs/dbraw/zinc/15/60/77/953156077.db2.gz RJIQQCSLWLMJAX-KRWDZBQOSA-N -1 1 383.416 0.372 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)no1 ZINC001571227132 953158265 /nfs/dbraw/zinc/15/82/65/953158265.db2.gz ZKQFAQFFSSMJCR-PWSUYJOCSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)no1 ZINC001571227132 953158267 /nfs/dbraw/zinc/15/82/67/953158267.db2.gz ZKQFAQFFSSMJCR-PWSUYJOCSA-N -1 1 383.416 0.669 20 0 GCADMM Cc1cnoc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571227129 953158419 /nfs/dbraw/zinc/15/84/19/953158419.db2.gz ZKCUTEDGVHRAFZ-LBPRGKRZSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1cnoc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571227129 953158420 /nfs/dbraw/zinc/15/84/20/953158420.db2.gz ZKCUTEDGVHRAFZ-LBPRGKRZSA-N -1 1 383.416 0.988 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCN1C(=O)c1cnn(C)n1 ZINC001571227763 953158732 /nfs/dbraw/zinc/15/87/32/953158732.db2.gz BOSKHNZREPMGEU-GWCFXTLKSA-N -1 1 383.420 0.281 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCN1C(=O)c1cnn(C)n1 ZINC001571227763 953158735 /nfs/dbraw/zinc/15/87/35/953158735.db2.gz BOSKHNZREPMGEU-GWCFXTLKSA-N -1 1 383.420 0.281 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnn(CC)n2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571227732 953158756 /nfs/dbraw/zinc/15/87/56/953158756.db2.gz ARQICBVAAVYYPM-GXFFZTMASA-N -1 1 383.420 0.055 20 0 GCADMM CC[C@@H]1[C@@H](NC(=O)c2cnn(CC)n2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571227732 953158757 /nfs/dbraw/zinc/15/87/57/953158757.db2.gz ARQICBVAAVYYPM-GXFFZTMASA-N -1 1 383.420 0.055 20 0 GCADMM CCn1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001571227704 953159185 /nfs/dbraw/zinc/15/91/85/953159185.db2.gz AILXXWNRYKYPNG-QWRGUYRKSA-N -1 1 383.420 0.055 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571227786 953159928 /nfs/dbraw/zinc/15/99/28/953159928.db2.gz BZIQKSCHXGLJBK-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571227786 953159931 /nfs/dbraw/zinc/15/99/31/953159931.db2.gz BZIQKSCHXGLJBK-LLVKDONJSA-N -1 1 383.420 0.232 20 0 GCADMM CC[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571227800 953159949 /nfs/dbraw/zinc/15/99/49/953159949.db2.gz CHYSUMRGWZWDTJ-WDEREUQCSA-N -1 1 383.420 0.057 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001571227787 953160129 /nfs/dbraw/zinc/16/01/29/953160129.db2.gz BZIQKSCHXGLJBK-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCCn1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001571227787 953160131 /nfs/dbraw/zinc/16/01/31/953160131.db2.gz BZIQKSCHXGLJBK-NSHDSACASA-N -1 1 383.420 0.232 20 0 GCADMM CCn1nncc1C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571227956 953160770 /nfs/dbraw/zinc/16/07/70/953160770.db2.gz FGMGRFYWZWALIZ-UHFFFAOYSA-N -1 1 383.420 0.009 20 0 GCADMM O=C(Cc1ccon1)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571228006 953161040 /nfs/dbraw/zinc/16/10/40/953161040.db2.gz GGLNJKSDDXZDQJ-UHFFFAOYSA-N -1 1 383.416 0.928 20 0 GCADMM O=C(Cc1ccon1)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571228006 953161041 /nfs/dbraw/zinc/16/10/41/953161041.db2.gz GGLNJKSDDXZDQJ-UHFFFAOYSA-N -1 1 383.416 0.928 20 0 GCADMM O=C(c1cc[nH]c1)N1CCC(N(CCO)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571228180 953162434 /nfs/dbraw/zinc/16/24/34/953162434.db2.gz KHEHOSZXURUWJP-UHFFFAOYSA-N -1 1 383.416 0.088 20 0 GCADMM O=C(c1cc[nH]c1)N1CCC(N(CCO)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571228180 953162436 /nfs/dbraw/zinc/16/24/36/953162436.db2.gz KHEHOSZXURUWJP-UHFFFAOYSA-N -1 1 383.416 0.088 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571228325 953163944 /nfs/dbraw/zinc/16/39/44/953163944.db2.gz NATAZWHEAYXUQZ-GFCCVEGCSA-N -1 1 383.416 0.988 20 0 GCADMM Cc1ocnc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571228325 953163946 /nfs/dbraw/zinc/16/39/46/953163946.db2.gz NATAZWHEAYXUQZ-GFCCVEGCSA-N -1 1 383.416 0.988 20 0 GCADMM CCn1cc(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nn1 ZINC001571228478 953164715 /nfs/dbraw/zinc/16/47/15/953164715.db2.gz PJNUGNZEKVONER-UHFFFAOYSA-N -1 1 383.420 0.057 20 0 GCADMM CCn1cc(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nn1 ZINC001571228478 953164719 /nfs/dbraw/zinc/16/47/19/953164719.db2.gz PJNUGNZEKVONER-UHFFFAOYSA-N -1 1 383.420 0.057 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571229040 953168018 /nfs/dbraw/zinc/16/80/18/953168018.db2.gz YUEIEIOSONKZCG-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571229040 953168020 /nfs/dbraw/zinc/16/80/20/953168020.db2.gz YUEIEIOSONKZCG-JTQLQIEISA-N -1 1 383.420 0.330 20 0 GCADMM Cc1c(C(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nn3)CC2)nnn1C ZINC001571229325 953169147 /nfs/dbraw/zinc/16/91/47/953169147.db2.gz CFQYXRDNMQPINP-UHFFFAOYSA-N -1 1 383.420 0.200 20 0 GCADMM Cc1c(C(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nn3)CC2)nnn1C ZINC001571229325 953169149 /nfs/dbraw/zinc/16/91/49/953169149.db2.gz CFQYXRDNMQPINP-UHFFFAOYSA-N -1 1 383.420 0.200 20 0 GCADMM O=C(CCn1ccnn1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571229391 953169397 /nfs/dbraw/zinc/16/93/97/953169397.db2.gz DJEZRZCTYKCMBU-GFCCVEGCSA-N -1 1 383.420 0.132 20 0 GCADMM O=C(CCn1ccnn1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571229391 953169398 /nfs/dbraw/zinc/16/93/98/953169398.db2.gz DJEZRZCTYKCMBU-GFCCVEGCSA-N -1 1 383.420 0.132 20 0 GCADMM Cn1ncc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1N ZINC001571230175 953174198 /nfs/dbraw/zinc/17/41/98/953174198.db2.gz TTXPQUNYDWDIPN-SNVBAGLBSA-N -1 1 383.420 0.079 20 0 GCADMM Cn1ncc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c1N ZINC001571230175 953174199 /nfs/dbraw/zinc/17/41/99/953174199.db2.gz TTXPQUNYDWDIPN-SNVBAGLBSA-N -1 1 383.420 0.079 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)[C@H](C)n3cncn3)C2)n1 ZINC001571230331 953175782 /nfs/dbraw/zinc/17/57/82/953175782.db2.gz VQOCLAPFTWNXHV-UNXYVOJBSA-N -1 1 383.420 0.219 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)[C@H](C)n3cncn3)C2)n1 ZINC001571230331 953175784 /nfs/dbraw/zinc/17/57/84/953175784.db2.gz VQOCLAPFTWNXHV-UNXYVOJBSA-N -1 1 383.420 0.219 20 0 GCADMM O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1cscn1 ZINC001571230576 953178068 /nfs/dbraw/zinc/17/80/68/953178068.db2.gz GNBNGVUVYTYFSS-NSHDSACASA-N -1 1 383.441 0.902 20 0 GCADMM Cc1c(C(=O)NC2CC(CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)nnn1C ZINC001571230559 953178439 /nfs/dbraw/zinc/17/84/39/953178439.db2.gz XRMFGOVRMXEVNP-UHFFFAOYSA-N -1 1 383.420 0.023 20 0 GCADMM Cc1c(C(=O)NC2CC(CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)nnn1C ZINC001571230559 953178441 /nfs/dbraw/zinc/17/84/41/953178441.db2.gz XRMFGOVRMXEVNP-UHFFFAOYSA-N -1 1 383.420 0.023 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cnc(C2CC2)s1 ZINC001571230688 953178775 /nfs/dbraw/zinc/17/87/75/953178775.db2.gz ILMKULBRMRUGGC-SNVBAGLBSA-N -1 1 383.441 0.999 20 0 GCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cnc(C2CC2)s1 ZINC001571230688 953178777 /nfs/dbraw/zinc/17/87/77/953178777.db2.gz ILMKULBRMRUGGC-SNVBAGLBSA-N -1 1 383.441 0.999 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2)c1nccs1 ZINC001571230884 953181330 /nfs/dbraw/zinc/18/13/30/953181330.db2.gz MODGTPQQCBTXBM-QFYYESIMSA-N -1 1 383.441 0.902 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2)c1nccs1 ZINC001571230884 953181333 /nfs/dbraw/zinc/18/13/33/953181333.db2.gz MODGTPQQCBTXBM-QFYYESIMSA-N -1 1 383.441 0.902 20 0 GCADMM O=C(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001571230944 953181925 /nfs/dbraw/zinc/18/19/25/953181925.db2.gz NVDMMNMODSXUGW-HZMBPMFUSA-N -1 1 383.455 0.394 20 0 GCADMM O=C(c1nccs1)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571231196 953183223 /nfs/dbraw/zinc/18/32/23/953183223.db2.gz VBZKVVWJUOJKNW-WDEREUQCSA-N -1 1 383.441 0.854 20 0 GCADMM O=C(c1nccs1)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571231196 953183226 /nfs/dbraw/zinc/18/32/26/953183226.db2.gz VBZKVVWJUOJKNW-WDEREUQCSA-N -1 1 383.441 0.854 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)sc1C ZINC001571231494 953184737 /nfs/dbraw/zinc/18/47/37/953184737.db2.gz YORIJBGAOJHHMD-IWIIMEHWSA-N -1 1 383.441 0.595 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)sc1C ZINC001571231494 953184739 /nfs/dbraw/zinc/18/47/39/953184739.db2.gz YORIJBGAOJHHMD-IWIIMEHWSA-N -1 1 383.441 0.595 20 0 GCADMM O=C(C1CCC1)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571233861 953197102 /nfs/dbraw/zinc/19/71/02/953197102.db2.gz GHUMHHOFHFHQFI-CQSZACIVSA-N -1 1 383.460 0.180 20 0 GCADMM O=C(c1ccc(Cl)cn1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571234570 953203535 /nfs/dbraw/zinc/20/35/35/953203535.db2.gz CBKRDUMRFPWYMM-QWRGUYRKSA-N -1 1 383.803 0.808 20 0 GCADMM COC(=O)[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)c1ccc(O)cc1 ZINC001571234602 953204009 /nfs/dbraw/zinc/20/40/09/953204009.db2.gz CXCKCIWOUHQTCF-ZDUSSCGKSA-N -1 1 384.352 0.625 20 0 GCADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001571234775 953205173 /nfs/dbraw/zinc/20/51/73/953205173.db2.gz INARRFZGPQNCPV-OTYXRUKQSA-N -1 1 384.366 0.928 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2O)CC1 ZINC001571235303 953211708 /nfs/dbraw/zinc/21/17/08/953211708.db2.gz ZOZNWIQUDGERFY-YUMQZZPRSA-N -1 1 383.865 0.833 20 0 GCADMM CC1(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2O)CC1 ZINC001571235303 953211710 /nfs/dbraw/zinc/21/17/10/953211710.db2.gz ZOZNWIQUDGERFY-YUMQZZPRSA-N -1 1 383.865 0.833 20 0 GCADMM CCc1ccc(O)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1 ZINC001571235657 953214291 /nfs/dbraw/zinc/21/42/91/953214291.db2.gz MIGCRSPPTLBENU-UHFFFAOYSA-N -1 1 384.400 0.947 20 0 GCADMM CCc1ccc(O)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1 ZINC001571235657 953214293 /nfs/dbraw/zinc/21/42/93/953214293.db2.gz MIGCRSPPTLBENU-UHFFFAOYSA-N -1 1 384.400 0.947 20 0 GCADMM CCO[C@@H]1CN(C(=O)c2ccco2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571235718 953215043 /nfs/dbraw/zinc/21/50/43/953215043.db2.gz OLLQDYTVEUFLKB-DGCLKSJQSA-N -1 1 384.400 0.261 20 0 GCADMM COCc1ccc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571235735 953215399 /nfs/dbraw/zinc/21/53/99/953215399.db2.gz PBBHSBRLIIIZNW-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM COCc1ccc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571235735 953215403 /nfs/dbraw/zinc/21/54/03/953215403.db2.gz PBBHSBRLIIIZNW-NSHDSACASA-N -1 1 384.400 0.747 20 0 GCADMM COCc1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571236378 953217229 /nfs/dbraw/zinc/21/72/29/953217229.db2.gz YCLYYPKOPSJXGB-LLVKDONJSA-N -1 1 384.400 0.535 20 0 GCADMM Cc1cocc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001571236650 953217804 /nfs/dbraw/zinc/21/78/04/953217804.db2.gz ALQJSRGVMQDCMG-GFCCVEGCSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1cocc1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001571236650 953217809 /nfs/dbraw/zinc/21/78/09/953217809.db2.gz ALQJSRGVMQDCMG-GFCCVEGCSA-N -1 1 384.400 0.583 20 0 GCADMM Cc1coc(C(=O)N2CCC(O)(CNc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571237011 953219393 /nfs/dbraw/zinc/21/93/93/953219393.db2.gz FFGMDELATQCZPO-UHFFFAOYSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1coc(C(=O)N2CCC(O)(CNc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571237011 953219395 /nfs/dbraw/zinc/21/93/95/953219395.db2.gz FFGMDELATQCZPO-UHFFFAOYSA-N -1 1 384.400 0.637 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2O)oc1C ZINC001571236956 953219772 /nfs/dbraw/zinc/21/97/72/953219772.db2.gz DIMLNRZTOUMCDW-CHWSQXEVSA-N -1 1 384.400 0.154 20 0 GCADMM Cc1cc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2O)oc1C ZINC001571236956 953219774 /nfs/dbraw/zinc/21/97/74/953219774.db2.gz DIMLNRZTOUMCDW-CHWSQXEVSA-N -1 1 384.400 0.154 20 0 GCADMM CC[C@@H]1CN(C(=O)c2nonc2C)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571237152 953220486 /nfs/dbraw/zinc/22/04/86/953220486.db2.gz FWQJZDDDJXHAJK-MNOVXSKESA-N -1 1 384.404 0.701 20 0 GCADMM CC[C@@H]1CN(C(=O)c2nonc2C)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571237152 953220489 /nfs/dbraw/zinc/22/04/89/953220489.db2.gz FWQJZDDDJXHAJK-MNOVXSKESA-N -1 1 384.404 0.701 20 0 GCADMM COc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571237318 953220839 /nfs/dbraw/zinc/22/08/39/953220839.db2.gz HHNCUZOXZDWHGS-LLVKDONJSA-N -1 1 384.400 0.999 20 0 GCADMM Cc1cccc(OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1 ZINC001571238006 953225037 /nfs/dbraw/zinc/22/50/37/953225037.db2.gz QJDUQUJETUYMCB-UHFFFAOYSA-N -1 1 384.400 0.752 20 0 GCADMM Cc1cccc(OCC(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1 ZINC001571238006 953225039 /nfs/dbraw/zinc/22/50/39/953225039.db2.gz QJDUQUJETUYMCB-UHFFFAOYSA-N -1 1 384.400 0.752 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)[nH]n1 ZINC001571238113 953225828 /nfs/dbraw/zinc/22/58/28/953225828.db2.gz UOBLBAZGANRANE-JTQLQIEISA-N -1 1 384.404 0.495 20 0 GCADMM CCOc1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001571238113 953225829 /nfs/dbraw/zinc/22/58/29/953225829.db2.gz UOBLBAZGANRANE-JTQLQIEISA-N -1 1 384.404 0.495 20 0 GCADMM Cc1cc(C)c(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCO2)o1 ZINC001571238210 953226359 /nfs/dbraw/zinc/22/63/59/953226359.db2.gz WQZMTPMHLJGZSX-LBPRGKRZSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1cc(C)c(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCO2)o1 ZINC001571238210 953226362 /nfs/dbraw/zinc/22/63/62/953226362.db2.gz WQZMTPMHLJGZSX-LBPRGKRZSA-N -1 1 384.400 0.502 20 0 GCADMM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571238162 953226564 /nfs/dbraw/zinc/22/65/64/953226564.db2.gz VQUGFGLQKRGXKZ-VHSXEESVSA-N -1 1 384.404 0.059 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001571238252 953226939 /nfs/dbraw/zinc/22/69/39/953226939.db2.gz YAYHZODBZFSVLZ-GFCCVEGCSA-N -1 1 384.400 0.502 20 0 GCADMM Cc1coc(C)c1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001571238252 953226943 /nfs/dbraw/zinc/22/69/43/953226943.db2.gz YAYHZODBZFSVLZ-GFCCVEGCSA-N -1 1 384.400 0.502 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)[nH]n1 ZINC001571238240 953227176 /nfs/dbraw/zinc/22/71/76/953227176.db2.gz XWDDJFKHMMMFJC-NXEZZACHSA-N -1 1 384.404 0.494 20 0 GCADMM CCOc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)[nH]n1 ZINC001571238240 953227177 /nfs/dbraw/zinc/22/71/77/953227177.db2.gz XWDDJFKHMMMFJC-NXEZZACHSA-N -1 1 384.404 0.494 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2[C@@H](C)CCCN2C(=O)c2cnon2)n1 ZINC001571238348 953228392 /nfs/dbraw/zinc/22/83/92/953228392.db2.gz AACKERKTPKTTPS-TVQRCGJNSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2[C@@H](C)CCCN2C(=O)c2cnon2)n1 ZINC001571238348 953228395 /nfs/dbraw/zinc/22/83/95/953228395.db2.gz AACKERKTPKTTPS-TVQRCGJNSA-N -1 1 384.404 0.701 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238503 953229893 /nfs/dbraw/zinc/22/98/93/953229893.db2.gz FOBCYCGFYDRPNL-LLVKDONJSA-N -1 1 384.404 0.031 20 0 GCADMM Cc1c[nH]nc1C(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238503 953229894 /nfs/dbraw/zinc/22/98/94/953229894.db2.gz FOBCYCGFYDRPNL-LLVKDONJSA-N -1 1 384.404 0.031 20 0 GCADMM Cc1noc(CCC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571238480 953229971 /nfs/dbraw/zinc/22/99/71/953229971.db2.gz DSQGWRIAAMBFLW-UHFFFAOYSA-N -1 1 384.404 0.020 20 0 GCADMM Cc1noc(CCC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571238480 953229974 /nfs/dbraw/zinc/22/99/74/953229974.db2.gz DSQGWRIAAMBFLW-UHFFFAOYSA-N -1 1 384.404 0.020 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571238609 953230725 /nfs/dbraw/zinc/23/07/25/953230725.db2.gz IGMDESAOOHYIIE-LLVKDONJSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571238609 953230729 /nfs/dbraw/zinc/23/07/29/953230729.db2.gz IGMDESAOOHYIIE-LLVKDONJSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)NCC1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571238583 953230772 /nfs/dbraw/zinc/23/07/72/953230772.db2.gz HLDGIAAKHOWAQG-UHFFFAOYSA-N -1 1 384.404 0.323 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)NCC1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571238583 953230775 /nfs/dbraw/zinc/23/07/75/953230775.db2.gz HLDGIAAKHOWAQG-UHFFFAOYSA-N -1 1 384.404 0.323 20 0 GCADMM COc1nn(C)cc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571238574 953231108 /nfs/dbraw/zinc/23/11/08/953231108.db2.gz HHOJZBPVINHABX-SNVBAGLBSA-N -1 1 384.404 0.116 20 0 GCADMM COc1nn(C)cc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571238574 953231110 /nfs/dbraw/zinc/23/11/10/953231110.db2.gz HHOJZBPVINHABX-SNVBAGLBSA-N -1 1 384.404 0.116 20 0 GCADMM Cc1nonc1CC(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238728 953231978 /nfs/dbraw/zinc/23/19/78/953231978.db2.gz LQFMGGOCRPGDFW-LLVKDONJSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1nonc1CC(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238728 953231979 /nfs/dbraw/zinc/23/19/79/953231979.db2.gz LQFMGGOCRPGDFW-LLVKDONJSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)n1 ZINC001571238806 953233115 /nfs/dbraw/zinc/23/31/15/953233115.db2.gz NAQUZAWBWLWYQR-GXSJLCMTSA-N -1 1 384.404 0.382 20 0 GCADMM Cc1noc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)n1 ZINC001571238806 953233117 /nfs/dbraw/zinc/23/31/17/953233117.db2.gz NAQUZAWBWLWYQR-GXSJLCMTSA-N -1 1 384.404 0.382 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571238906 953233912 /nfs/dbraw/zinc/23/39/12/953233912.db2.gz OIUSCMNFRUQPON-JTQLQIEISA-N -1 1 384.404 0.183 20 0 GCADMM Cc1noc(CCC(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571238895 953234371 /nfs/dbraw/zinc/23/43/71/953234371.db2.gz OGSKHNZEHMIAJT-LLVKDONJSA-N -1 1 384.404 0.384 20 0 GCADMM Cc1noc(CCC(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571238895 953234372 /nfs/dbraw/zinc/23/43/72/953234372.db2.gz OGSKHNZEHMIAJT-LLVKDONJSA-N -1 1 384.404 0.384 20 0 GCADMM Cc1nonc1CC(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239087 953235627 /nfs/dbraw/zinc/23/56/27/953235627.db2.gz QATOZRQSQPYRGG-MRXNPFEDSA-N -1 1 384.404 0.241 20 0 GCADMM Cc1nonc1CC(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239087 953235631 /nfs/dbraw/zinc/23/56/31/953235631.db2.gz QATOZRQSQPYRGG-MRXNPFEDSA-N -1 1 384.404 0.241 20 0 GCADMM CN(C)Cc1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)no1 ZINC001571239248 953236970 /nfs/dbraw/zinc/23/69/70/953236970.db2.gz RHGXURFTCYSSDM-JTQLQIEISA-N -1 1 384.404 0.033 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571239469 953239350 /nfs/dbraw/zinc/23/93/50/953239350.db2.gz UVCRTEJFRYUHIZ-SNVBAGLBSA-N -1 1 384.404 0.135 20 0 GCADMM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571239469 953239353 /nfs/dbraw/zinc/23/93/53/953239353.db2.gz UVCRTEJFRYUHIZ-SNVBAGLBSA-N -1 1 384.404 0.135 20 0 GCADMM Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)[nH]c1=O ZINC001571239846 953243733 /nfs/dbraw/zinc/24/37/33/953243733.db2.gz ZNHCZNJHENDACF-NXEZZACHSA-N -1 1 384.404 0.106 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)c1cnns1 ZINC001571241811 953249448 /nfs/dbraw/zinc/24/94/48/953249448.db2.gz MEFTYLGOMIGIGP-GUBZILKMSA-N -1 1 384.429 0.296 20 0 GCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)c1cnns1 ZINC001571241811 953249453 /nfs/dbraw/zinc/24/94/53/953249453.db2.gz MEFTYLGOMIGIGP-GUBZILKMSA-N -1 1 384.429 0.296 20 0 GCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001571241826 953250668 /nfs/dbraw/zinc/25/06/68/953250668.db2.gz MIHMTSUJZLVCCK-HNNXBMFYSA-N -1 1 384.421 0.590 20 0 GCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001571241826 953250670 /nfs/dbraw/zinc/25/06/70/953250670.db2.gz MIHMTSUJZLVCCK-HNNXBMFYSA-N -1 1 384.421 0.590 20 0 GCADMM C[C@]12CN(C(=O)c3cnns3)C[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571241942 953251438 /nfs/dbraw/zinc/25/14/38/953251438.db2.gz QHJVHKLZONVGBU-PSLIRLAXSA-N -1 1 384.429 0.107 20 0 GCADMM C[C@]12CN(C(=O)c3cnns3)C[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571241942 953251440 /nfs/dbraw/zinc/25/14/40/953251440.db2.gz QHJVHKLZONVGBU-PSLIRLAXSA-N -1 1 384.429 0.107 20 0 GCADMM O=C(c1csnn1)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571242101 953253063 /nfs/dbraw/zinc/25/30/63/953253063.db2.gz UVKLRHQTIVVAOG-OAHLLOKOSA-N -1 1 384.429 0.251 20 0 GCADMM O=C(c1csnn1)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571242101 953253064 /nfs/dbraw/zinc/25/30/64/953253064.db2.gz UVKLRHQTIVVAOG-OAHLLOKOSA-N -1 1 384.429 0.251 20 0 GCADMM O=C(c1cnns1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571242126 953253249 /nfs/dbraw/zinc/25/32/49/953253249.db2.gz VFBRTFDADBYRTO-MNOVXSKESA-N -1 1 384.429 0.392 20 0 GCADMM O=C(c1cnns1)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571242126 953253250 /nfs/dbraw/zinc/25/32/50/953253250.db2.gz VFBRTFDADBYRTO-MNOVXSKESA-N -1 1 384.429 0.392 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571242263 953254584 /nfs/dbraw/zinc/25/45/84/953254584.db2.gz CLHYYBXGGRQBQK-GXTWGEPZSA-N -1 1 384.444 0.900 20 0 GCADMM C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571242263 953254585 /nfs/dbraw/zinc/25/45/85/953254585.db2.gz CLHYYBXGGRQBQK-GXTWGEPZSA-N -1 1 384.444 0.900 20 0 GCADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571242364 953255631 /nfs/dbraw/zinc/25/56/31/953255631.db2.gz DOJNZVWEOSZRTD-CZXHOFHRSA-N -1 1 384.444 0.270 20 0 GCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001571242462 953257195 /nfs/dbraw/zinc/25/71/95/953257195.db2.gz GYILZCKUQGOAMH-DFHBCGBQSA-N -1 1 384.444 0.653 20 0 GCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001571242462 953257201 /nfs/dbraw/zinc/25/72/01/953257201.db2.gz GYILZCKUQGOAMH-DFHBCGBQSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001571242597 953257646 /nfs/dbraw/zinc/25/76/46/953257646.db2.gz JUOJESDAMCOCBL-BETUJISGSA-N -1 1 384.444 0.653 20 0 GCADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001571242597 953257650 /nfs/dbraw/zinc/25/76/50/953257650.db2.gz JUOJESDAMCOCBL-BETUJISGSA-N -1 1 384.444 0.653 20 0 GCADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nnn[n-]2)n1 ZINC001571242552 953257794 /nfs/dbraw/zinc/25/77/94/953257794.db2.gz ITQVVYFLUMKPRK-DZUFCKETSA-N -1 1 384.444 0.513 20 0 GCADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc(-c2nn[n-]n2)n1 ZINC001571242552 953257796 /nfs/dbraw/zinc/25/77/96/953257796.db2.gz ITQVVYFLUMKPRK-DZUFCKETSA-N -1 1 384.444 0.513 20 0 GCADMM CN(C(=O)[C@]12CCC[C@H]1OCC2)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571242683 953258938 /nfs/dbraw/zinc/25/89/38/953258938.db2.gz LLWMZGFUVZIUBN-DFHBCGBQSA-N -1 1 384.444 0.653 20 0 GCADMM CN(C(=O)[C@]12CCC[C@H]1OCC2)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571242683 953258942 /nfs/dbraw/zinc/25/89/42/953258942.db2.gz LLWMZGFUVZIUBN-DFHBCGBQSA-N -1 1 384.444 0.653 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nnn[n-]4)nc(CC)n3)C[C@H]21 ZINC001571242792 953259956 /nfs/dbraw/zinc/25/99/56/953259956.db2.gz OAWWWJCRDULFOH-STKZKQKTSA-N -1 1 384.444 0.195 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nn[n-]n4)nc(CC)n3)C[C@H]21 ZINC001571242792 953259960 /nfs/dbraw/zinc/25/99/60/953259960.db2.gz OAWWWJCRDULFOH-STKZKQKTSA-N -1 1 384.444 0.195 20 0 GCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)n1 ZINC001571242781 953260260 /nfs/dbraw/zinc/26/02/60/953260260.db2.gz NVSIHUFHNQVKLZ-JSGCOSHPSA-N -1 1 384.444 0.211 20 0 GCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)n1 ZINC001571242781 953260262 /nfs/dbraw/zinc/26/02/62/953260262.db2.gz NVSIHUFHNQVKLZ-JSGCOSHPSA-N -1 1 384.444 0.211 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001571242911 953260974 /nfs/dbraw/zinc/26/09/74/953260974.db2.gz QXJURTLZLUMYMC-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001571242911 953260976 /nfs/dbraw/zinc/26/09/76/953260976.db2.gz QXJURTLZLUMYMC-JCGVRSQUSA-N -1 1 384.444 0.653 20 0 GCADMM CC[C@H]1CC[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)O1 ZINC001571242976 953261845 /nfs/dbraw/zinc/26/18/45/953261845.db2.gz SHQWPPBYSWEFIW-SFDCQRBFSA-N -1 1 384.444 0.509 20 0 GCADMM CC[C@H]1CC[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)O1 ZINC001571242976 953261847 /nfs/dbraw/zinc/26/18/47/953261847.db2.gz SHQWPPBYSWEFIW-SFDCQRBFSA-N -1 1 384.444 0.509 20 0 GCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)C2CC3(CC3)C2)CCO1 ZINC001571243002 953261905 /nfs/dbraw/zinc/26/19/05/953261905.db2.gz SUEYUTWGNJTFHQ-FZMZJTMJSA-N -1 1 384.444 0.875 20 0 GCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)C2CC3(CC3)C2)CCO1 ZINC001571243002 953261909 /nfs/dbraw/zinc/26/19/09/953261909.db2.gz SUEYUTWGNJTFHQ-FZMZJTMJSA-N -1 1 384.444 0.875 20 0 GCADMM CN(C(=O)[C@H]1CC12CCOCC2)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571242964 953262011 /nfs/dbraw/zinc/26/20/11/953262011.db2.gz SBMDANKGKICQBD-CHWSQXEVSA-N -1 1 384.444 0.511 20 0 GCADMM CN(C(=O)[C@H]1CC12CCOCC2)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571242964 953262013 /nfs/dbraw/zinc/26/20/13/953262013.db2.gz SBMDANKGKICQBD-CHWSQXEVSA-N -1 1 384.444 0.511 20 0 GCADMM CC1(C(=O)N2CCOC3(CCN(c4nccnc4-c4nnn[n-]4)CC3)C2)CC1 ZINC001571243074 953262386 /nfs/dbraw/zinc/26/23/86/953262386.db2.gz VEEMZISXISPJGY-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM CC1(C(=O)N2CCOC3(CCN(c4nccnc4-c4nn[n-]n4)CC3)C2)CC1 ZINC001571243074 953262388 /nfs/dbraw/zinc/26/23/88/953262388.db2.gz VEEMZISXISPJGY-UHFFFAOYSA-N -1 1 384.444 0.655 20 0 GCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC001571243019 953262494 /nfs/dbraw/zinc/26/24/94/953262494.db2.gz UCKRHTCETJXSQW-QWHCGFSZSA-N -1 1 384.444 0.812 20 0 GCADMM CO[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001571243199 953264412 /nfs/dbraw/zinc/26/44/12/953264412.db2.gz YPEFAZLNUHESCW-CRQFQMBKSA-N -1 1 384.444 0.413 20 0 GCADMM CO[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001571243199 953264414 /nfs/dbraw/zinc/26/44/14/953264414.db2.gz YPEFAZLNUHESCW-CRQFQMBKSA-N -1 1 384.444 0.413 20 0 GCADMM C[C@H]1CCn2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)nc2C1 ZINC001571246018 953279215 /nfs/dbraw/zinc/27/92/15/953279215.db2.gz QWKCTEYCMMHVGZ-JTQLQIEISA-N -1 1 384.448 0.656 20 0 GCADMM C[C@H]1CCn2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)nc2C1 ZINC001571246018 953279218 /nfs/dbraw/zinc/27/92/18/953279218.db2.gz QWKCTEYCMMHVGZ-JTQLQIEISA-N -1 1 384.448 0.656 20 0 GCADMM O=C(N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571247705 953285239 /nfs/dbraw/zinc/28/52/39/953285239.db2.gz BVQMTDUUSXMHJF-JCGVRSQUSA-N -1 1 384.444 0.298 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)[C@H]1CCCC12CC2 ZINC001571248138 953289756 /nfs/dbraw/zinc/28/97/56/953289756.db2.gz FCVFMFLFCXKXQT-CHWSQXEVSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)[C@H]1CCCC12CC2 ZINC001571248138 953289760 /nfs/dbraw/zinc/28/97/60/953289760.db2.gz FCVFMFLFCXKXQT-CHWSQXEVSA-N -1 1 384.444 0.558 20 0 GCADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571248532 953294167 /nfs/dbraw/zinc/29/41/67/953294167.db2.gz FWBDQYKKIKRTEQ-OVSNFEJUSA-N -1 1 384.444 0.468 20 0 GCADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571248532 953294170 /nfs/dbraw/zinc/29/41/70/953294170.db2.gz FWBDQYKKIKRTEQ-OVSNFEJUSA-N -1 1 384.444 0.468 20 0 GCADMM O=C(N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C12CCC(CC1)C2 ZINC001571248624 953295183 /nfs/dbraw/zinc/29/51/83/953295183.db2.gz HSOLSWATCSFEER-YNAXMUEKSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C12CCC(CC1)C2 ZINC001571248624 953295188 /nfs/dbraw/zinc/29/51/88/953295188.db2.gz HSOLSWATCSFEER-YNAXMUEKSA-N -1 1 384.444 0.876 20 0 GCADMM O=C(NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1C[C@]12CCOC2 ZINC001571248579 953295233 /nfs/dbraw/zinc/29/52/33/953295233.db2.gz HAHROQXMZTVSSU-ACJLOTCBSA-N -1 1 384.444 0.416 20 0 GCADMM O=C(NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1C[C@]12CCOC2 ZINC001571248579 953295238 /nfs/dbraw/zinc/29/52/38/953295238.db2.gz HAHROQXMZTVSSU-ACJLOTCBSA-N -1 1 384.444 0.416 20 0 GCADMM O=C(N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1=CCOCC1 ZINC001571248786 953297477 /nfs/dbraw/zinc/29/74/77/953297477.db2.gz IIJGCBSJLPBUPA-KGLIPLIRSA-N -1 1 384.444 0.512 20 0 GCADMM O=C(CC[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571248884 953298663 /nfs/dbraw/zinc/29/86/63/953298663.db2.gz LDIYMFIFPASRQV-HZSPNIEDSA-N -1 1 384.444 0.796 20 0 GCADMM O=C(CC[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571248884 953298666 /nfs/dbraw/zinc/29/86/66/953298666.db2.gz LDIYMFIFPASRQV-HZSPNIEDSA-N -1 1 384.444 0.796 20 0 GCADMM O=C([C@@H]1CC12CC2)N1CCC(N(CCO)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571248889 953298689 /nfs/dbraw/zinc/29/86/89/953298689.db2.gz LFDZAHDQBLDFNX-ZDUSSCGKSA-N -1 1 384.444 0.247 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248900 953298868 /nfs/dbraw/zinc/29/88/68/953298868.db2.gz LJGVJZIOEPOOPT-DFHBCGBQSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571248900 953298870 /nfs/dbraw/zinc/29/88/70/953298870.db2.gz LJGVJZIOEPOOPT-DFHBCGBQSA-N -1 1 384.444 0.558 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571248906 953298958 /nfs/dbraw/zinc/29/89/58/953298958.db2.gz LNIURLMUSYDNOF-WRSAYESZSA-N -1 1 384.444 0.843 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571248906 953298963 /nfs/dbraw/zinc/29/89/63/953298963.db2.gz LNIURLMUSYDNOF-WRSAYESZSA-N -1 1 384.444 0.843 20 0 GCADMM O=C(C1CCOCC1)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571249321 953303278 /nfs/dbraw/zinc/30/32/78/953303278.db2.gz OKAQBDURRIAFFX-ZIAGYGMSSA-N -1 1 384.444 0.653 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)[C@H]1CCCCO1 ZINC001571249302 953303376 /nfs/dbraw/zinc/30/33/76/953303376.db2.gz NZTQHSRTQNTKFT-WRSAYESZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)[C@H]1CCCCO1 ZINC001571249302 953303380 /nfs/dbraw/zinc/30/33/80/953303380.db2.gz NZTQHSRTQNTKFT-WRSAYESZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571249299 953303562 /nfs/dbraw/zinc/30/35/62/953303562.db2.gz NUUVWJYSXOSMGJ-LXIYXOSZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C[C@@H]1CCCO1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571249299 953303565 /nfs/dbraw/zinc/30/35/65/953303565.db2.gz NUUVWJYSXOSMGJ-LXIYXOSZSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@@H]1CCCOC1 ZINC001571250365 953310688 /nfs/dbraw/zinc/31/06/88/953310688.db2.gz QZPYXXXBIGCNHG-VBHSOAQHSA-N -1 1 384.444 0.701 20 0 GCADMM O=C(C1CC2(CCC2)C1)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571251724 953318231 /nfs/dbraw/zinc/31/82/31/953318231.db2.gz VLRDJWRVQITJML-CYBMUJFWSA-N -1 1 384.444 0.298 20 0 GCADMM O=C(CC1(O)CCC1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571251720 953318546 /nfs/dbraw/zinc/31/85/46/953318546.db2.gz VFWBZZLOVLJUPW-GXTWGEPZSA-N -1 1 384.444 0.389 20 0 GCADMM O=C(CC1(O)CCC1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571251720 953318551 /nfs/dbraw/zinc/31/85/51/953318551.db2.gz VFWBZZLOVLJUPW-GXTWGEPZSA-N -1 1 384.444 0.389 20 0 GCADMM O=C(C[C@@H]1CCCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571251769 953319662 /nfs/dbraw/zinc/31/96/62/953319662.db2.gz WMXSFHCBXKNXAB-DGAVXFQQSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(C[C@@H]1CCCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571251769 953319668 /nfs/dbraw/zinc/31/96/68/953319668.db2.gz WMXSFHCBXKNXAB-DGAVXFQQSA-N -1 1 384.444 0.699 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCO1 ZINC001571251743 953319913 /nfs/dbraw/zinc/31/99/13/953319913.db2.gz VVVUTHIRXSJWRC-VYHDIPPYSA-N -1 1 384.444 0.842 20 0 GCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCO1 ZINC001571251743 953319916 /nfs/dbraw/zinc/31/99/16/953319916.db2.gz VVVUTHIRXSJWRC-VYHDIPPYSA-N -1 1 384.444 0.842 20 0 GCADMM CCOc1nc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)co1 ZINC001571254750 953341451 /nfs/dbraw/zinc/34/14/51/953341451.db2.gz CPAXFORQYYEZMF-UWVGGRQHSA-N -1 1 385.388 0.759 20 0 GCADMM CCOc1nc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)co1 ZINC001571254750 953341457 /nfs/dbraw/zinc/34/14/57/953341457.db2.gz CPAXFORQYYEZMF-UWVGGRQHSA-N -1 1 385.388 0.759 20 0 GCADMM COc1nc(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)co1 ZINC001571255007 953344366 /nfs/dbraw/zinc/34/43/66/953344366.db2.gz DTABRWJFRWWUKD-SNVBAGLBSA-N -1 1 385.388 0.618 20 0 GCADMM COc1nc(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)co1 ZINC001571255007 953344370 /nfs/dbraw/zinc/34/43/70/953344370.db2.gz DTABRWJFRWWUKD-SNVBAGLBSA-N -1 1 385.388 0.618 20 0 GCADMM COCc1nocc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571255279 953347238 /nfs/dbraw/zinc/34/72/38/953347238.db2.gz HCHAOFXJDZLKDF-SNVBAGLBSA-N -1 1 385.388 0.190 20 0 GCADMM COc1nc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571255303 953347708 /nfs/dbraw/zinc/34/77/08/953347708.db2.gz HSEXJRVGDYVUDY-ZJUUUORDSA-N -1 1 385.388 0.441 20 0 GCADMM Cc1conc1C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571255343 953348039 /nfs/dbraw/zinc/34/80/39/953348039.db2.gz IKAUTCIQVKNUGM-UHFFFAOYSA-N -1 1 385.388 0.032 20 0 GCADMM Cc1conc1C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571255343 953348044 /nfs/dbraw/zinc/34/80/44/953348044.db2.gz IKAUTCIQVKNUGM-UHFFFAOYSA-N -1 1 385.388 0.032 20 0 GCADMM COc1nc(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)co1 ZINC001571255328 953348148 /nfs/dbraw/zinc/34/81/48/953348148.db2.gz IAWBCJVGTIPOKY-UHFFFAOYSA-N -1 1 385.388 0.300 20 0 GCADMM COc1nc(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)co1 ZINC001571255328 953348152 /nfs/dbraw/zinc/34/81/52/953348152.db2.gz IAWBCJVGTIPOKY-UHFFFAOYSA-N -1 1 385.388 0.300 20 0 GCADMM CCO[C@@H]1CN(C(=O)c2ccon2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571255310 953348168 /nfs/dbraw/zinc/34/81/68/953348168.db2.gz HUNSDEBMIVKYGH-ZYHUDNBSSA-N -1 1 385.388 0.234 20 0 GCADMM CCO[C@@H]1CN(C(=O)c2ccon2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571255310 953348171 /nfs/dbraw/zinc/34/81/71/953348171.db2.gz HUNSDEBMIVKYGH-ZYHUDNBSSA-N -1 1 385.388 0.234 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571255976 953359386 /nfs/dbraw/zinc/35/93/86/953359386.db2.gz NMUDBVWIMOVTKA-LLVKDONJSA-N -1 1 385.388 0.215 20 0 GCADMM Cc1nc(C)c(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571255976 953359391 /nfs/dbraw/zinc/35/93/91/953359391.db2.gz NMUDBVWIMOVTKA-LLVKDONJSA-N -1 1 385.388 0.215 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3cc(OC)no3)C2)cc(-c2nnn[n-]2)n1 ZINC001571256006 953360774 /nfs/dbraw/zinc/36/07/74/953360774.db2.gz OAEZXBKFPPGWNJ-DTORHVGOSA-N -1 1 385.388 0.589 20 0 GCADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3cc(OC)no3)C2)cc(-c2nn[n-]n2)n1 ZINC001571256006 953360777 /nfs/dbraw/zinc/36/07/77/953360777.db2.gz OAEZXBKFPPGWNJ-DTORHVGOSA-N -1 1 385.388 0.589 20 0 GCADMM COCc1nocc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571256232 953365964 /nfs/dbraw/zinc/36/59/64/953365964.db2.gz QQHINJXSLPAOLM-SNVBAGLBSA-N -1 1 385.388 0.190 20 0 GCADMM COCc1nocc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571256232 953365970 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/nfs/dbraw/zinc/15/92/44/531159244.db2.gz WUCHUYULVLJSBH-UHFFFAOYSA-N -1 1 386.459 0.831 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2nncn2C2CC2)c(F)c1 ZINC000439194261 531159868 /nfs/dbraw/zinc/15/98/68/531159868.db2.gz VQNYEYZZRCDZCW-UHFFFAOYSA-N -1 1 389.434 0.602 20 0 GCADMM CCOC(=O)CCCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439287865 531160738 /nfs/dbraw/zinc/16/07/38/531160738.db2.gz XYJGLXNOABLTJW-UHFFFAOYSA-N -1 1 375.413 0.780 20 0 GCADMM COCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000629331390 531166135 /nfs/dbraw/zinc/16/61/35/531166135.db2.gz PLKQIAREXYJSGY-HNNXBMFYSA-N -1 1 392.499 0.778 20 0 GCADMM CC[C@@H](CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)C(=O)[O-] ZINC000681570836 531167457 /nfs/dbraw/zinc/16/74/57/531167457.db2.gz PKXHZOIDROHPKZ-JTQLQIEISA-N -1 1 394.471 0.846 20 0 GCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000564677696 531175631 /nfs/dbraw/zinc/17/56/31/531175631.db2.gz BKTFAQNNYHRTSX-CQSZACIVSA-N -1 1 384.435 0.527 20 0 GCADMM COc1cc(F)c(S(=O)(=O)[N-]CCNS(=O)(=O)NC(C)C)c(F)c1 ZINC000683198126 531177252 /nfs/dbraw/zinc/17/72/52/531177252.db2.gz TUWCXEOKGBJELF-UHFFFAOYSA-N -1 1 387.430 0.084 20 0 GCADMM COc1cc(NC(=O)CCCCCS(N)(=O)=O)ccc1[N-]S(C)(=O)=O ZINC000565071559 531178763 /nfs/dbraw/zinc/17/87/63/531178763.db2.gz PQUAHZOHFONEJW-UHFFFAOYSA-N -1 1 393.487 0.854 20 0 GCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cccc2cncc(Br)c21 ZINC000683651692 531180421 /nfs/dbraw/zinc/18/04/21/531180421.db2.gz UNWKWUQIUMFYTA-UHFFFAOYSA-N -1 1 376.174 0.765 20 0 GCADMM CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)[C@H]1C1CC1 ZINC000565230115 531181287 /nfs/dbraw/zinc/18/12/87/531181287.db2.gz QDIYZZWPXGNXOR-ZDUSSCGKSA-N -1 1 376.504 0.992 20 0 GCADMM O=C(CS(=O)(=O)c1ncn[n-]1)Nc1cccc(I)c1 ZINC000153041079 531183326 /nfs/dbraw/zinc/18/33/26/531183326.db2.gz KJCXBFVJLCOHRG-UHFFFAOYSA-N -1 1 392.178 0.822 20 0 GCADMM O=C(CS(=O)(=O)c1nc[n-]n1)Nc1cccc(I)c1 ZINC000153041079 531183331 /nfs/dbraw/zinc/18/33/31/531183331.db2.gz KJCXBFVJLCOHRG-UHFFFAOYSA-N -1 1 392.178 0.822 20 0 GCADMM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)nn1 ZINC000442744736 531189444 /nfs/dbraw/zinc/18/94/44/531189444.db2.gz IEFKAFUPBKEENW-UHFFFAOYSA-N -1 1 379.320 0.343 20 0 GCADMM C[S@](=O)C1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000443090334 531196664 /nfs/dbraw/zinc/19/66/64/531196664.db2.gz BOLSFGHQFMRJJD-NRFANRHFSA-N -1 1 384.476 0.387 20 0 GCADMM CC1(CNS(=O)(=O)c2ccc(S(=O)(=O)[N-]c3cnc[nH]3)cc2)COC1 ZINC000566487185 531199002 /nfs/dbraw/zinc/19/90/02/531199002.db2.gz UOOVRLQLNGARIR-UHFFFAOYSA-N -1 1 386.455 0.525 20 0 GCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](O)COCC2CC2)c(F)c1 ZINC000443211821 531198463 /nfs/dbraw/zinc/19/84/63/531198463.db2.gz LJQBIRHFAXKDIN-LBPRGKRZSA-N -1 1 396.462 0.263 20 0 GCADMM CCS(=O)(=O)C[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736657839 598824550 /nfs/dbraw/zinc/82/45/50/598824550.db2.gz YIGIHXDCXUMYQE-VIFPVBQESA-N -1 1 396.473 0.456 20 0 GCADMM Cn1ncc2c1nc(Cn1cc(-c3nn[n-]n3)c(=O)c3ccccc31)[nH]c2=O ZINC000737624710 598825502 /nfs/dbraw/zinc/82/55/02/598825502.db2.gz ZFPNWPCLGGUHPQ-UHFFFAOYSA-N -1 1 375.352 0.612 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](Oc3ccccc3)C2)n(C)c1=O ZINC000737597052 598830265 /nfs/dbraw/zinc/83/02/65/598830265.db2.gz PJVIHIKLZOSGOG-CYBMUJFWSA-N -1 1 383.412 0.312 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@](C)(c3ccccc3)C2)n(C)c1=O ZINC000737596374 598830596 /nfs/dbraw/zinc/83/05/96/598830596.db2.gz MSEZTIAVOLGEGL-IBGZPJMESA-N -1 1 381.440 0.822 20 0 GCADMM C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000735572152 598835804 /nfs/dbraw/zinc/83/58/04/598835804.db2.gz SEEKVKCXKSDDKG-DTWKUNHWSA-N -1 1 391.450 0.448 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)COC(=O)[C@@H](C)C(C)C)CC2)o1 ZINC000737467469 598848250 /nfs/dbraw/zinc/84/82/50/598848250.db2.gz PPSMYMYDXXOZMW-NSHDSACASA-N -1 1 391.432 0.647 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000736911704 598874494 /nfs/dbraw/zinc/87/44/94/598874494.db2.gz IRERQRAVRSZJOX-SECBINFHSA-N -1 1 387.805 0.083 20 0 GCADMM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000736911704 598874496 /nfs/dbraw/zinc/87/44/96/598874496.db2.gz IRERQRAVRSZJOX-SECBINFHSA-N -1 1 387.805 0.083 20 0 GCADMM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736041333 598875243 /nfs/dbraw/zinc/87/52/43/598875243.db2.gz VVQWTMAGZXBBNX-MRVPVSSYSA-N -1 1 393.878 0.574 20 0 GCADMM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736041333 598875244 /nfs/dbraw/zinc/87/52/44/598875244.db2.gz VVQWTMAGZXBBNX-MRVPVSSYSA-N -1 1 393.878 0.574 20 0 GCADMM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000736905267 598875546 /nfs/dbraw/zinc/87/55/46/598875546.db2.gz BGBAKYFRKHIMBD-LLVKDONJSA-N -1 1 378.414 0.226 20 0 GCADMM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000736905267 598875548 /nfs/dbraw/zinc/87/55/48/598875548.db2.gz BGBAKYFRKHIMBD-LLVKDONJSA-N -1 1 378.414 0.226 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738356197 598877829 /nfs/dbraw/zinc/87/78/29/598877829.db2.gz YKMFVDUPWYHGQN-JTQLQIEISA-N -1 1 381.311 0.958 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(n2ccnc2)C1 ZINC000737488392 598895211 /nfs/dbraw/zinc/89/52/11/598895211.db2.gz UHILINTWMLNIRI-UHFFFAOYSA-N -1 1 392.427 0.739 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000737549717 598911008 /nfs/dbraw/zinc/91/10/08/598911008.db2.gz YACQWKDHWQLUAY-LLVKDONJSA-N -1 1 390.425 0.866 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000737549717 598911010 /nfs/dbraw/zinc/91/10/10/598911010.db2.gz YACQWKDHWQLUAY-LLVKDONJSA-N -1 1 390.425 0.866 20 0 GCADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCN1c1ccccc1 ZINC000738294541 598919505 /nfs/dbraw/zinc/91/95/05/598919505.db2.gz CLGFLMDICRESAU-OAHLLOKOSA-N -1 1 399.436 0.736 20 0 GCADMM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCN1c1ccccc1 ZINC000738294541 598919506 /nfs/dbraw/zinc/91/95/06/598919506.db2.gz CLGFLMDICRESAU-OAHLLOKOSA-N -1 1 399.436 0.736 20 0 GCADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(NC(=O)CO)c1 ZINC000737301652 598931680 /nfs/dbraw/zinc/93/16/80/598931680.db2.gz PRJMPDGBJHNLGZ-UHFFFAOYSA-N -1 1 388.409 0.907 20 0 GCADMM CCN(CC)C(=O)CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736529434 598934065 /nfs/dbraw/zinc/93/40/65/598934065.db2.gz LDUXUVPJYCUMDI-UHFFFAOYSA-N -1 1 395.471 0.800 20 0 GCADMM CCN(CC)C(=O)CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736529434 598934067 /nfs/dbraw/zinc/93/40/67/598934067.db2.gz LDUXUVPJYCUMDI-UHFFFAOYSA-N -1 1 395.471 0.800 20 0 GCADMM O=C([C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC000737791288 598935510 /nfs/dbraw/zinc/93/55/10/598935510.db2.gz JIIDPGFLWCFVGF-CYBMUJFWSA-N -1 1 394.439 0.885 20 0 GCADMM O=C([C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC000737791288 598935512 /nfs/dbraw/zinc/93/55/12/598935512.db2.gz JIIDPGFLWCFVGF-CYBMUJFWSA-N -1 1 394.439 0.885 20 0 GCADMM Cc1ccccc1C[C@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737426032 598943001 /nfs/dbraw/zinc/94/30/01/598943001.db2.gz HOKWXLLTJGSAPT-CQSZACIVSA-N -1 1 381.440 0.784 20 0 GCADMM Cc1nnc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1C ZINC000737520287 598967714 /nfs/dbraw/zinc/96/77/14/598967714.db2.gz GYBUBMVCUMPVAS-UHFFFAOYSA-N -1 1 391.443 0.569 20 0 GCADMM Cc1nnc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1C ZINC000737520287 598967716 /nfs/dbraw/zinc/96/77/16/598967716.db2.gz GYBUBMVCUMPVAS-UHFFFAOYSA-N -1 1 391.443 0.569 20 0 GCADMM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738052676 598982454 /nfs/dbraw/zinc/98/24/54/598982454.db2.gz VITFWXWCQVDULL-MRXNPFEDSA-N -1 1 379.424 0.893 20 0 GCADMM O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738266783 598988452 /nfs/dbraw/zinc/98/84/52/598988452.db2.gz KQXBANCRUPMXMT-UHFFFAOYSA-N -1 1 381.371 0.999 20 0 GCADMM O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738266783 598988453 /nfs/dbraw/zinc/98/84/53/598988453.db2.gz KQXBANCRUPMXMT-UHFFFAOYSA-N -1 1 381.371 0.999 20 0 GCADMM CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736498131 598991479 /nfs/dbraw/zinc/99/14/79/598991479.db2.gz QCDUQWLPZCXBLZ-UHFFFAOYSA-N -1 1 379.446 0.196 20 0 GCADMM CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736498131 598991480 /nfs/dbraw/zinc/99/14/80/598991480.db2.gz QCDUQWLPZCXBLZ-UHFFFAOYSA-N -1 1 379.446 0.196 20 0 GCADMM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)CCO1 ZINC000736289450 598992178 /nfs/dbraw/zinc/99/21/78/598992178.db2.gz LWGIWYXZVLABBE-LBPRGKRZSA-N -1 1 380.412 0.812 20 0 GCADMM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)CCO1 ZINC000736289450 598992180 /nfs/dbraw/zinc/99/21/80/598992180.db2.gz LWGIWYXZVLABBE-LBPRGKRZSA-N -1 1 380.412 0.812 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000737549673 598995343 /nfs/dbraw/zinc/99/53/43/598995343.db2.gz WOCHXJCFRHLVMA-PWSUYJOCSA-N -1 1 396.473 0.770 20 0 GCADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1)NC1CCCC1 ZINC000737986760 599001790 /nfs/dbraw/zinc/00/17/90/599001790.db2.gz OCLYYXIPGAAXRT-UHFFFAOYSA-N -1 1 381.400 0.769 20 0 GCADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1)NC1CCCC1 ZINC000737986760 599001792 /nfs/dbraw/zinc/00/17/92/599001792.db2.gz OCLYYXIPGAAXRT-UHFFFAOYSA-N -1 1 381.400 0.769 20 0 GCADMM CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736790501 599008886 /nfs/dbraw/zinc/00/88/86/599008886.db2.gz ICIQIFMCSCJVSP-SECBINFHSA-N -1 1 389.434 0.061 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)NCCCOC[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000737187351 599014572 /nfs/dbraw/zinc/01/45/72/599014572.db2.gz QWXPNAYJCPHMNA-JTQLQIEISA-N -1 1 394.457 0.862 20 0 GCADMM CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000736885784 599020656 /nfs/dbraw/zinc/02/06/56/599020656.db2.gz DOHIAIUJERBCNW-UHFFFAOYSA-N -1 1 379.427 0.161 20 0 GCADMM CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000736885784 599020658 /nfs/dbraw/zinc/02/06/58/599020658.db2.gz DOHIAIUJERBCNW-UHFFFAOYSA-N -1 1 379.427 0.161 20 0 GCADMM C[C@]1(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)NC(=O)NC1=O ZINC000736225071 599022290 /nfs/dbraw/zinc/02/22/90/599022290.db2.gz VEZCLLVFNVGXCQ-QGZVFWFLSA-N -1 1 378.352 0.569 20 0 GCADMM C[C@]1(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)NC(=O)NC1=O ZINC000736225071 599022292 /nfs/dbraw/zinc/02/22/92/599022292.db2.gz VEZCLLVFNVGXCQ-QGZVFWFLSA-N -1 1 378.352 0.569 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(CC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000737775802 599022572 /nfs/dbraw/zinc/02/25/72/599022572.db2.gz CRYBHTVCVOFZDV-UHFFFAOYSA-N -1 1 399.341 0.685 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(CC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000737775802 599022573 /nfs/dbraw/zinc/02/25/73/599022573.db2.gz CRYBHTVCVOFZDV-UHFFFAOYSA-N -1 1 399.341 0.685 20 0 GCADMM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736886223 599028139 /nfs/dbraw/zinc/02/81/39/599028139.db2.gz FOIRMWNAMZAZCN-JTQLQIEISA-N -1 1 387.425 0.661 20 0 GCADMM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736886223 599028140 /nfs/dbraw/zinc/02/81/40/599028140.db2.gz FOIRMWNAMZAZCN-JTQLQIEISA-N -1 1 387.425 0.661 20 0 GCADMM CCN(C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)S(C)(=O)=O ZINC000736512563 599030746 /nfs/dbraw/zinc/03/07/46/599030746.db2.gz QMUGUFFKHUKLNO-UHFFFAOYSA-N -1 1 379.446 0.148 20 0 GCADMM CCN(C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)S(C)(=O)=O ZINC000736512563 599030748 /nfs/dbraw/zinc/03/07/48/599030748.db2.gz QMUGUFFKHUKLNO-UHFFFAOYSA-N -1 1 379.446 0.148 20 0 GCADMM CCOC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736601042 599030806 /nfs/dbraw/zinc/03/08/06/599030806.db2.gz RALCRJYMIOTJNX-UHFFFAOYSA-N -1 1 384.393 0.469 20 0 GCADMM CCOC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736601042 599030807 /nfs/dbraw/zinc/03/08/07/599030807.db2.gz RALCRJYMIOTJNX-UHFFFAOYSA-N -1 1 384.393 0.469 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(c2ncccn2)CC1 ZINC000738354845 599032646 /nfs/dbraw/zinc/03/26/46/599032646.db2.gz KUCRIPPSZOCSKX-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(c2ncccn2)CC1 ZINC000738354845 599032649 /nfs/dbraw/zinc/03/26/49/599032649.db2.gz KUCRIPPSZOCSKX-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=C(CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)N1CCCC1 ZINC000737871871 599033960 /nfs/dbraw/zinc/03/39/60/599033960.db2.gz CDKUPNHZZQTMCW-UHFFFAOYSA-N -1 1 384.444 0.032 20 0 GCADMM COC(=O)C(C)(C)c1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000821638896 599039538 /nfs/dbraw/zinc/03/95/38/599039538.db2.gz KNEMWSFDLWNAJY-UHFFFAOYSA-N -1 1 399.411 0.458 20 0 GCADMM CCOC(=O)[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000736595010 599049321 /nfs/dbraw/zinc/04/93/21/599049321.db2.gz UNJOYHBXWMSISG-ZYHUDNBSSA-N -1 1 392.416 0.667 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCN(c3ccccc3)C2)n(C)c1=O ZINC000737594842 599059536 /nfs/dbraw/zinc/05/95/36/599059536.db2.gz BSHNHPPEEXFWPM-LBPRGKRZSA-N -1 1 382.428 0.345 20 0 GCADMM Cc1ccnc(-c2cccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)c2)n1 ZINC000737436690 599061404 /nfs/dbraw/zinc/06/14/04/599061404.db2.gz KEDNNILROBVHFH-UHFFFAOYSA-N -1 1 391.395 0.773 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2OCCc3sccc32)n(C)c1=O ZINC000822601374 599076773 /nfs/dbraw/zinc/07/67/73/599076773.db2.gz YIAUDMKPXKULSI-VIFPVBQESA-N -1 1 375.414 0.052 20 0 GCADMM CO[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(Cl)c1 ZINC000821676793 599090721 /nfs/dbraw/zinc/09/07/21/599090721.db2.gz HHDJIQICBFYDPI-LLVKDONJSA-N -1 1 391.819 0.717 20 0 GCADMM CCO[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C12CCCC2 ZINC000821360379 599100601 /nfs/dbraw/zinc/10/06/01/599100601.db2.gz RADAQIMGUKUOBD-QWRGUYRKSA-N -1 1 375.433 0.414 20 0 GCADMM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737755647 599107106 /nfs/dbraw/zinc/10/71/06/599107106.db2.gz OFXMUXNFAJZXJS-NSHDSACASA-N -1 1 380.368 0.269 20 0 GCADMM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737755647 599107109 /nfs/dbraw/zinc/10/71/09/599107109.db2.gz OFXMUXNFAJZXJS-NSHDSACASA-N -1 1 380.368 0.269 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2C[C@H](O)c2ccccc2)n(C)c1=O ZINC000822601188 599108805 /nfs/dbraw/zinc/10/88/05/599108805.db2.gz UWYOLYKKIZTBOK-KGLIPLIRSA-N -1 1 397.439 0.357 20 0 GCADMM CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000735473574 599130853 /nfs/dbraw/zinc/13/08/53/599130853.db2.gz JLGUQBIMROIXSW-SECBINFHSA-N -1 1 384.352 0.919 20 0 GCADMM CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000735473574 599130856 /nfs/dbraw/zinc/13/08/56/599130856.db2.gz JLGUQBIMROIXSW-SECBINFHSA-N -1 1 384.352 0.919 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000736158442 599134378 /nfs/dbraw/zinc/13/43/78/599134378.db2.gz PYRCOMDSVJUVOQ-VIFPVBQESA-N -1 1 381.352 0.545 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000736158442 599134381 /nfs/dbraw/zinc/13/43/81/599134381.db2.gz PYRCOMDSVJUVOQ-VIFPVBQESA-N -1 1 381.352 0.545 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1sccc1C(N)=O ZINC000736158936 599140317 /nfs/dbraw/zinc/14/03/17/599140317.db2.gz SWUZQYSYDBYNRU-SSDOTTSWSA-N -1 1 387.381 0.606 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1sccc1C(N)=O ZINC000736158936 599140320 /nfs/dbraw/zinc/14/03/20/599140320.db2.gz SWUZQYSYDBYNRU-SSDOTTSWSA-N -1 1 387.381 0.606 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000736158701 599140557 /nfs/dbraw/zinc/14/05/57/599140557.db2.gz RMADVEDLYITNPD-SNVBAGLBSA-N -1 1 393.363 0.792 20 0 GCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000736158701 599140558 /nfs/dbraw/zinc/14/05/58/599140558.db2.gz RMADVEDLYITNPD-SNVBAGLBSA-N -1 1 393.363 0.792 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC(=O)NCc1cccs1 ZINC000737907378 599141777 /nfs/dbraw/zinc/14/17/77/599141777.db2.gz CSHLRXDONBLYKF-UHFFFAOYSA-N -1 1 387.381 0.506 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC(=O)NCc1cccs1 ZINC000737907378 599141778 /nfs/dbraw/zinc/14/17/78/599141778.db2.gz CSHLRXDONBLYKF-UHFFFAOYSA-N -1 1 387.381 0.506 20 0 GCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nnc(-c3cccc(F)c3)o2)c1=O ZINC000736719760 599161131 /nfs/dbraw/zinc/16/11/31/599161131.db2.gz SRZIKIRKEJFEJH-UHFFFAOYSA-N -1 1 384.331 0.447 20 0 GCADMM Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)cn1 ZINC000737603410 599179554 /nfs/dbraw/zinc/17/95/54/599179554.db2.gz KLYFEOAVKVWLLT-JTQLQIEISA-N -1 1 377.405 0.918 20 0 GCADMM CCN1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736568175 599182764 /nfs/dbraw/zinc/18/27/64/599182764.db2.gz JIYSKJHABDSHNY-SECBINFHSA-N -1 1 379.446 0.140 20 0 GCADMM Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)n(C)n1 ZINC000822207428 599215648 /nfs/dbraw/zinc/21/56/48/599215648.db2.gz WDTGKJXVEFFQEI-CYBMUJFWSA-N -1 1 381.400 0.229 20 0 GCADMM Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)n(C)n1 ZINC000822207428 599215651 /nfs/dbraw/zinc/21/56/51/599215651.db2.gz WDTGKJXVEFFQEI-CYBMUJFWSA-N -1 1 381.400 0.229 20 0 GCADMM O=S(=O)(NCc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578949 607259768 /nfs/dbraw/zinc/25/97/68/607259768.db2.gz XKLMZPAQNBBXJQ-UHFFFAOYSA-N -1 1 388.409 0.902 20 0 GCADMM O=S(=O)(NCc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578949 607259769 /nfs/dbraw/zinc/25/97/69/607259769.db2.gz XKLMZPAQNBBXJQ-UHFFFAOYSA-N -1 1 388.409 0.902 20 0 GCADMM COC(=O)c1cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc(F)c1F ZINC000760101166 596969650 /nfs/dbraw/zinc/96/96/50/596969650.db2.gz SQDVSPMPKDUZCB-UHFFFAOYSA-N -1 1 380.369 0.388 20 0 GCADMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1 ZINC000486909469 599234972 /nfs/dbraw/zinc/23/49/72/599234972.db2.gz MGUPOMDYKBIXLC-UHFFFAOYSA-N -1 1 383.397 0.858 20 0 GCADMM O=C([O-])C1(NCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCCC1 ZINC000676230661 597080604 /nfs/dbraw/zinc/08/06/04/597080604.db2.gz PSBCNOHBDJLRBU-UHFFFAOYSA-N -1 1 389.452 0.762 20 0 GCADMM Cc1nc(CN2CCC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC000737477169 599242323 /nfs/dbraw/zinc/24/23/23/599242323.db2.gz KOXOHYNLNXQUAP-ZDUSSCGKSA-N -1 1 383.416 0.690 20 0 GCADMM Cc1nc(CN2CCC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC000737477169 599242325 /nfs/dbraw/zinc/24/23/25/599242325.db2.gz KOXOHYNLNXQUAP-ZDUSSCGKSA-N -1 1 383.416 0.690 20 0 GCADMM O=C([O-])[C@H]1CC(C(=O)N2CC[C@H](CN3CCOCC3)C2)=NN1c1ccccc1 ZINC000740476469 597125562 /nfs/dbraw/zinc/12/55/62/597125562.db2.gz NBCVGIJKRTUEBY-CRAIPNDOSA-N -1 1 386.452 0.887 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736885168 599243981 /nfs/dbraw/zinc/24/39/81/599243981.db2.gz ZAMMDZOMJUGSQV-UHFFFAOYSA-N -1 1 392.397 0.177 20 0 GCADMM Cc1nnc([C@@H]2CN(C(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)CCO2)[nH]1 ZINC000818981241 597144565 /nfs/dbraw/zinc/14/45/65/597144565.db2.gz BTKJUWLPQZGQAC-CABCVRRESA-N -1 1 384.396 0.733 20 0 GCADMM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000819586002 597347859 /nfs/dbraw/zinc/34/78/59/597347859.db2.gz RZAJXPHPGPORDZ-INIZCTEOSA-N -1 1 389.452 0.966 20 0 GCADMM Ic1ccc2ncnc(-n3cnc(-c4nn[n-]n4)n3)c2c1 ZINC000737670211 599263798 /nfs/dbraw/zinc/26/37/98/599263798.db2.gz SZVWRUUHVHFDAE-UHFFFAOYSA-N -1 1 391.136 0.995 20 0 GCADMM O=S1(=O)CC[C@@H](N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)C1 ZINC000823613514 607304279 /nfs/dbraw/zinc/30/42/79/607304279.db2.gz KHLAHQOIFZKNAM-CYBMUJFWSA-N -1 1 399.480 0.724 20 0 GCADMM O=C([O-])[C@@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000262677442 597534796 /nfs/dbraw/zinc/53/47/96/597534796.db2.gz UTJCIBNDBWLIDU-CYBMUJFWSA-N -1 1 381.454 0.816 20 0 GCADMM CC(=O)NCCN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@H](C)C(=O)[O-] ZINC000819758342 597686283 /nfs/dbraw/zinc/68/62/83/597686283.db2.gz YEGKZVVIULPEPV-OAHLLOKOSA-N -1 1 390.484 0.485 20 0 GCADMM CC(=O)NCCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)[C@@H](C)C(=O)[O-] ZINC000262156783 597695785 /nfs/dbraw/zinc/69/57/85/597695785.db2.gz BLCWOAOFUFRMMU-NSHDSACASA-N -1 1 376.417 0.478 20 0 GCADMM CC(=O)NCCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@H](C)C(=O)[O-] ZINC000819758190 597696809 /nfs/dbraw/zinc/69/68/09/597696809.db2.gz OSCDXZSFBHDNML-OAHLLOKOSA-N -1 1 390.484 0.485 20 0 GCADMM COC[C@@H](C)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736967402 599274031 /nfs/dbraw/zinc/27/40/31/599274031.db2.gz BHLATPMCYSKWAJ-SNVBAGLBSA-N -1 1 397.461 0.219 20 0 GCADMM CCc1nc([C@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CCO2)n[nH]1 ZINC000583138184 598171612 /nfs/dbraw/zinc/17/16/12/598171612.db2.gz DJRKXXYHCMQXAC-CYBMUJFWSA-N -1 1 387.396 0.912 20 0 GCADMM CC(C)COC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccco1 ZINC000735838667 598243983 /nfs/dbraw/zinc/24/39/83/598243983.db2.gz SRKDBBZSMYPNQK-NSHDSACASA-N -1 1 389.416 0.683 20 0 GCADMM O=S(=O)(N1CCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738328590 598252715 /nfs/dbraw/zinc/25/27/15/598252715.db2.gz JFAGPJUOOLFRPO-UHFFFAOYSA-N -1 1 394.461 0.195 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(-n2cncn2)cc1 ZINC000736133027 598260737 /nfs/dbraw/zinc/26/07/37/598260737.db2.gz YWAAIDLXOYJXSW-NSHDSACASA-N -1 1 397.424 0.882 20 0 GCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(-n2cncn2)cc1 ZINC000736133027 598260739 /nfs/dbraw/zinc/26/07/39/598260739.db2.gz YWAAIDLXOYJXSW-NSHDSACASA-N -1 1 397.424 0.882 20 0 GCADMM CS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737172562 598261130 /nfs/dbraw/zinc/26/11/30/598261130.db2.gz CLLSRZPGQVPMBC-UHFFFAOYSA-N -1 1 381.395 0.433 20 0 GCADMM CS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737172562 598261132 /nfs/dbraw/zinc/26/11/32/598261132.db2.gz CLLSRZPGQVPMBC-UHFFFAOYSA-N -1 1 381.395 0.433 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(CCc2ccccc2)CC1 ZINC000738353843 598262819 /nfs/dbraw/zinc/26/28/19/598262819.db2.gz HQEPHSRECCTMDX-UHFFFAOYSA-N -1 1 399.480 0.811 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(CCc2ccccc2)CC1 ZINC000738353843 598262821 /nfs/dbraw/zinc/26/28/21/598262821.db2.gz HQEPHSRECCTMDX-UHFFFAOYSA-N -1 1 399.480 0.811 20 0 GCADMM CCOC(=O)N[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC000736601521 598263472 /nfs/dbraw/zinc/26/34/72/598263472.db2.gz ZSPDJDLACFIEKN-NSHDSACASA-N -1 1 397.461 0.701 20 0 GCADMM CCOC(=O)N[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC000736601521 598263473 /nfs/dbraw/zinc/26/34/73/598263473.db2.gz ZSPDJDLACFIEKN-NSHDSACASA-N -1 1 397.461 0.701 20 0 GCADMM NC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737760758 598264033 /nfs/dbraw/zinc/26/40/33/598264033.db2.gz RNDQANVNKOZYFO-UHFFFAOYSA-N -1 1 399.436 0.714 20 0 GCADMM NC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737760758 598264034 /nfs/dbraw/zinc/26/40/34/598264034.db2.gz RNDQANVNKOZYFO-UHFFFAOYSA-N -1 1 399.436 0.714 20 0 GCADMM O=S(=O)(NCc1ccnc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344753 598264586 /nfs/dbraw/zinc/26/45/86/598264586.db2.gz HKOFLFVYRJPPAZ-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM O=S(=O)(NCc1ccnc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344753 598264588 /nfs/dbraw/zinc/26/45/88/598264588.db2.gz HKOFLFVYRJPPAZ-UHFFFAOYSA-N -1 1 383.397 0.321 20 0 GCADMM CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000735914084 598264801 /nfs/dbraw/zinc/26/48/01/598264801.db2.gz HZTAXMBHTLBOMA-UHFFFAOYSA-N -1 1 375.414 0.922 20 0 GCADMM CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000735914084 598264804 /nfs/dbraw/zinc/26/48/04/598264804.db2.gz HZTAXMBHTLBOMA-UHFFFAOYSA-N -1 1 375.414 0.922 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736911802 598265687 /nfs/dbraw/zinc/26/56/87/598265687.db2.gz WLIJVKFLJXVMQV-GDLCADMTSA-N -1 1 392.441 0.757 20 0 GCADMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736911802 598265688 /nfs/dbraw/zinc/26/56/88/598265688.db2.gz WLIJVKFLJXVMQV-GDLCADMTSA-N -1 1 392.441 0.757 20 0 GCADMM CC(=O)Nc1cccc2c1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000735487898 598266183 /nfs/dbraw/zinc/26/61/83/598266183.db2.gz ATVWHBJTHNLPMF-UHFFFAOYSA-N -1 1 399.436 0.967 20 0 GCADMM CC(=O)Nc1cccc2c1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000735487898 598266184 /nfs/dbraw/zinc/26/61/84/598266184.db2.gz ATVWHBJTHNLPMF-UHFFFAOYSA-N -1 1 399.436 0.967 20 0 GCADMM COCCOc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737016263 598267813 /nfs/dbraw/zinc/26/78/13/598267813.db2.gz VDCAYIWEUSBGRT-UHFFFAOYSA-N -1 1 390.425 0.765 20 0 GCADMM COCCOc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737016263 598267815 /nfs/dbraw/zinc/26/78/15/598267815.db2.gz VDCAYIWEUSBGRT-UHFFFAOYSA-N -1 1 390.425 0.765 20 0 GCADMM COCCN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737002022 598267825 /nfs/dbraw/zinc/26/78/25/598267825.db2.gz JTYFIBNBIIRFJB-UHFFFAOYSA-N -1 1 375.414 0.494 20 0 GCADMM COCCN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737002022 598267827 /nfs/dbraw/zinc/26/78/27/598267827.db2.gz JTYFIBNBIIRFJB-UHFFFAOYSA-N -1 1 375.414 0.494 20 0 GCADMM COc1cccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1OC ZINC000737130054 598267867 /nfs/dbraw/zinc/26/78/67/598267867.db2.gz AABNWMCIYGCXGP-UHFFFAOYSA-N -1 1 390.425 0.800 20 0 GCADMM COc1cccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1OC ZINC000737130054 598267869 /nfs/dbraw/zinc/26/78/69/598267869.db2.gz AABNWMCIYGCXGP-UHFFFAOYSA-N -1 1 390.425 0.800 20 0 GCADMM Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000737534308 598267996 /nfs/dbraw/zinc/26/79/96/598267996.db2.gz KIMHZQKHRKLVRE-JTQLQIEISA-N -1 1 376.402 0.521 20 0 GCADMM Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000737534308 598267998 /nfs/dbraw/zinc/26/79/98/598267998.db2.gz KIMHZQKHRKLVRE-JTQLQIEISA-N -1 1 376.402 0.521 20 0 GCADMM CCCOc1ncccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736493369 598268730 /nfs/dbraw/zinc/26/87/30/598268730.db2.gz TZNNLTDODGLVCR-UHFFFAOYSA-N -1 1 375.414 0.924 20 0 GCADMM CCCOc1ncccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736493369 598268731 /nfs/dbraw/zinc/26/87/31/598268731.db2.gz TZNNLTDODGLVCR-UHFFFAOYSA-N -1 1 375.414 0.924 20 0 GCADMM O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339639 598269369 /nfs/dbraw/zinc/26/93/69/598269369.db2.gz UDDJCROWOCTIKB-UHFFFAOYSA-N -1 1 390.381 0.348 20 0 GCADMM O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339639 598269370 /nfs/dbraw/zinc/26/93/70/598269370.db2.gz UDDJCROWOCTIKB-UHFFFAOYSA-N -1 1 390.381 0.348 20 0 GCADMM CCN(CC)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736525031 598270629 /nfs/dbraw/zinc/27/06/29/598270629.db2.gz YNGPFCBBXNKZFI-LBPRGKRZSA-N -1 1 397.486 0.194 20 0 GCADMM CCN(CC)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736525031 598270631 /nfs/dbraw/zinc/27/06/31/598270631.db2.gz YNGPFCBBXNKZFI-LBPRGKRZSA-N -1 1 397.486 0.194 20 0 GCADMM O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344513 598271346 /nfs/dbraw/zinc/27/13/46/598271346.db2.gz WXTKEYYTLRHFPV-QMMMGPOBSA-N -1 1 377.352 0.177 20 0 GCADMM O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344513 598271348 /nfs/dbraw/zinc/27/13/48/598271348.db2.gz WXTKEYYTLRHFPV-QMMMGPOBSA-N -1 1 377.352 0.177 20 0 GCADMM O=C(CC1CCCCC1)NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737823427 598272798 /nfs/dbraw/zinc/27/27/98/598272798.db2.gz RPPKTVJJMLPXJU-UHFFFAOYSA-N -1 1 393.473 0.627 20 0 GCADMM O=C(CC1CCCCC1)NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737823427 598272799 /nfs/dbraw/zinc/27/27/99/598272799.db2.gz RPPKTVJJMLPXJU-UHFFFAOYSA-N -1 1 393.473 0.627 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCCN(C(N)=O)CC1 ZINC000737548147 598312797 /nfs/dbraw/zinc/31/27/97/598312797.db2.gz NQOAQHWWCZWIIU-UHFFFAOYSA-N -1 1 384.400 0.785 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCCN(C(N)=O)CC1 ZINC000737548147 598312798 /nfs/dbraw/zinc/31/27/98/598312798.db2.gz NQOAQHWWCZWIIU-UHFFFAOYSA-N -1 1 384.400 0.785 20 0 GCADMM O=S(=O)(c1ccc(Oc2nccnc2-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000738355952 598336454 /nfs/dbraw/zinc/33/64/54/598336454.db2.gz XBWQREAPWFLPHP-UHFFFAOYSA-N -1 1 389.397 0.470 20 0 GCADMM NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737738827 598339923 /nfs/dbraw/zinc/33/99/23/598339923.db2.gz MRIWFYJVSIELTQ-AWEZNQCLSA-N -1 1 399.846 0.659 20 0 GCADMM NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737738827 598339925 /nfs/dbraw/zinc/33/99/25/598339925.db2.gz MRIWFYJVSIELTQ-AWEZNQCLSA-N -1 1 399.846 0.659 20 0 GCADMM O=S(=O)(NCCNc1nccnc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000738337413 598342956 /nfs/dbraw/zinc/34/29/56/598342956.db2.gz AMOLJIPCWOBHQC-UHFFFAOYSA-N -1 1 380.821 0.701 20 0 GCADMM O=S(=O)(NCCNc1nccnc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000738337413 598342958 /nfs/dbraw/zinc/34/29/58/598342958.db2.gz AMOLJIPCWOBHQC-UHFFFAOYSA-N -1 1 380.821 0.701 20 0 GCADMM O=S(=O)(c1ccccc1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738357255 598347907 /nfs/dbraw/zinc/34/79/07/598347907.db2.gz NVWPTSXIKKSCET-UHFFFAOYSA-N -1 1 386.441 0.558 20 0 GCADMM O=S(=O)(c1ccccc1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738357255 598347908 /nfs/dbraw/zinc/34/79/08/598347908.db2.gz NVWPTSXIKKSCET-UHFFFAOYSA-N -1 1 386.441 0.558 20 0 GCADMM COc1cccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737131162 598348483 /nfs/dbraw/zinc/34/84/83/598348483.db2.gz UVENXHPCVOFJQM-UHFFFAOYSA-N -1 1 380.412 0.557 20 0 GCADMM COc1cccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737131162 598348484 /nfs/dbraw/zinc/34/84/84/598348484.db2.gz UVENXHPCVOFJQM-UHFFFAOYSA-N -1 1 380.412 0.557 20 0 GCADMM O=C(CCNc1nccnc1-c1nnn[n-]1)N1CCN(c2ccccc2)CC1 ZINC000737848867 598349995 /nfs/dbraw/zinc/34/99/95/598349995.db2.gz UTUKFWOTODKIAO-UHFFFAOYSA-N -1 1 379.428 0.808 20 0 GCADMM O=C(CCNc1nccnc1-c1nn[n-]n1)N1CCN(c2ccccc2)CC1 ZINC000737848867 598349997 /nfs/dbraw/zinc/34/99/97/598349997.db2.gz UTUKFWOTODKIAO-UHFFFAOYSA-N -1 1 379.428 0.808 20 0 GCADMM CC(=O)NC(C)(C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735474248 598366126 /nfs/dbraw/zinc/36/61/26/598366126.db2.gz IPHKGNACDFMBPJ-UHFFFAOYSA-N -1 1 388.432 0.295 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCc1cnn(C)c1 ZINC000737201722 598366965 /nfs/dbraw/zinc/36/69/65/598366965.db2.gz UOTXJNJDMRSVPZ-UHFFFAOYSA-N -1 1 384.444 0.999 20 0 GCADMM CNC(=O)C1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCC1 ZINC000736869066 598371398 /nfs/dbraw/zinc/37/13/98/598371398.db2.gz AZJIOKGXPPVMHE-UHFFFAOYSA-N -1 1 376.373 0.475 20 0 GCADMM O=C(N[C@@H]1CCCOC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738022420 598374988 /nfs/dbraw/zinc/37/49/88/598374988.db2.gz FPVNKCYSXBJYRW-GFCCVEGCSA-N -1 1 388.432 0.743 20 0 GCADMM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737859570 598380644 /nfs/dbraw/zinc/38/06/44/598380644.db2.gz FNWOBVAUSCDBIT-UHFFFAOYSA-N -1 1 378.352 0.128 20 0 GCADMM Cc1ccccc1C1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000737424188 598386755 /nfs/dbraw/zinc/38/67/55/598386755.db2.gz SVHMKNNTVRZTKA-UHFFFAOYSA-N -1 1 381.440 0.957 20 0 GCADMM CCCCOC(=O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736460403 598402836 /nfs/dbraw/zinc/40/28/36/598402836.db2.gz GSHBPUOFWSJTBC-UHFFFAOYSA-N -1 1 376.417 0.976 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736609299 598407980 /nfs/dbraw/zinc/40/79/80/598407980.db2.gz FGBBYQRNDIHLQJ-TZMCWYRMSA-N -1 1 397.395 0.959 20 0 GCADMM CCO[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736609299 598407981 /nfs/dbraw/zinc/40/79/81/598407981.db2.gz FGBBYQRNDIHLQJ-TZMCWYRMSA-N -1 1 397.395 0.959 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000737201308 598509559 /nfs/dbraw/zinc/50/95/59/598509559.db2.gz QYNBIZHEDJHRFD-LBPRGKRZSA-N -1 1 387.444 0.642 20 0 GCADMM CC(C)N(C)c1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1F ZINC000735858819 598522775 /nfs/dbraw/zinc/52/27/75/598522775.db2.gz GRISDQMQCLWKGO-UHFFFAOYSA-N -1 1 388.407 0.991 20 0 GCADMM COc1ccccc1[C@@H]1CCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737147162 598522832 /nfs/dbraw/zinc/52/28/32/598522832.db2.gz LBTFRKMBXFUKHF-LBPRGKRZSA-N -1 1 383.412 0.614 20 0 GCADMM CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000736481742 598528281 /nfs/dbraw/zinc/52/82/81/598528281.db2.gz ZVDKPDHAISOBKT-UHFFFAOYSA-N -1 1 383.412 0.546 20 0 GCADMM Cc1oc(NC(=O)COC(=O)CCN2CCCC2=O)c(-c2nn[n-]n2)c1C ZINC000737551861 598533095 /nfs/dbraw/zinc/53/30/95/598533095.db2.gz KKDCHCMXSKPKIE-UHFFFAOYSA-N -1 1 376.373 0.571 20 0 GCADMM O=C(CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)NCC1CCC1 ZINC000737880807 598537845 /nfs/dbraw/zinc/53/78/45/598537845.db2.gz CNTVPLTZNMBRTC-UHFFFAOYSA-N -1 1 386.460 0.770 20 0 GCADMM CCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736504479 598564880 /nfs/dbraw/zinc/56/48/80/598564880.db2.gz DYVRDBXZUYYBBQ-GFCCVEGCSA-N -1 1 383.412 0.717 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC1N=NC(=S)N1C ZINC000737546273 598567120 /nfs/dbraw/zinc/56/71/20/598567120.db2.gz CWFNFXVBXAOUMF-UHFFFAOYSA-N -1 1 399.440 0.949 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC1N=NC(=S)N1C ZINC000737546273 598567121 /nfs/dbraw/zinc/56/71/21/598567121.db2.gz CWFNFXVBXAOUMF-UHFFFAOYSA-N -1 1 399.440 0.949 20 0 GCADMM CCNS(=O)(=O)CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736577397 598590619 /nfs/dbraw/zinc/59/06/19/598590619.db2.gz HETOKQCHZFQUHP-UHFFFAOYSA-N -1 1 393.429 0.228 20 0 GCADMM CCNS(=O)(=O)CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736577397 598590620 /nfs/dbraw/zinc/59/06/20/598590620.db2.gz HETOKQCHZFQUHP-UHFFFAOYSA-N -1 1 393.429 0.228 20 0 GCADMM O=S(=O)([N-]c1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(-n2cnnn2)c1 ZINC000738343403 598594461 /nfs/dbraw/zinc/59/44/61/598594461.db2.gz YKZBONLAHKLYKZ-UHFFFAOYSA-N -1 1 387.360 0.782 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2nc3cc(Cl)ccc3[nH]2)n(C)c1=O ZINC000737598170 598628541 /nfs/dbraw/zinc/62/85/41/598628541.db2.gz ZSWFDNVTDKVPIC-UHFFFAOYSA-N -1 1 387.791 0.406 20 0 GCADMM Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000737775536 598629073 /nfs/dbraw/zinc/62/90/73/598629073.db2.gz AHEUAGKGELOHDD-JTQLQIEISA-N -1 1 390.429 0.555 20 0 GCADMM CCc1nn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705528 598640087 /nfs/dbraw/zinc/64/00/87/598640087.db2.gz JTZOZLKJDWPCMP-PHIMTYICSA-N -1 1 375.433 0.184 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)c2cccnc2)n(C)c1=O ZINC000737594770 598673415 /nfs/dbraw/zinc/67/34/15/598673415.db2.gz AAKCFROUGCNMFZ-HNNXBMFYSA-N -1 1 390.407 0.861 20 0 GCADMM CCOc1ccc(OCCNC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000736650206 598675828 /nfs/dbraw/zinc/67/58/28/598675828.db2.gz BYZKZHGRNMZSCE-UHFFFAOYSA-N -1 1 384.396 0.622 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(c2ncccn2)CC1 ZINC000738355307 598687572 /nfs/dbraw/zinc/68/75/72/598687572.db2.gz ODXQCIWRBPBDHO-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736601247 598690021 /nfs/dbraw/zinc/69/00/21/598690021.db2.gz UKTUOIDDYDQVSB-JTQLQIEISA-N -1 1 398.420 0.905 20 0 GCADMM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736523754 598709509 /nfs/dbraw/zinc/70/95/09/598709509.db2.gz QVUHHCWVIMIGDM-CYBMUJFWSA-N -1 1 379.446 0.283 20 0 GCADMM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736523754 598709510 /nfs/dbraw/zinc/70/95/10/598709510.db2.gz QVUHHCWVIMIGDM-CYBMUJFWSA-N -1 1 379.446 0.283 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735626354 598710502 /nfs/dbraw/zinc/71/05/02/598710502.db2.gz IPKUTTPSDQVUSZ-JTQLQIEISA-N -1 1 395.445 0.549 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735626354 598710505 /nfs/dbraw/zinc/71/05/05/598710505.db2.gz IPKUTTPSDQVUSZ-JTQLQIEISA-N -1 1 395.445 0.549 20 0 GCADMM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000738303498 598711651 /nfs/dbraw/zinc/71/16/51/598711651.db2.gz QYNNFXBUGFTNEN-LLVKDONJSA-N -1 1 394.432 0.781 20 0 GCADMM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738304362 598711875 /nfs/dbraw/zinc/71/18/75/598711875.db2.gz XUMZSIFPUYSUDI-NSHDSACASA-N -1 1 377.430 0.037 20 0 GCADMM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738304362 598711876 /nfs/dbraw/zinc/71/18/76/598711876.db2.gz XUMZSIFPUYSUDI-NSHDSACASA-N -1 1 377.430 0.037 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738354615 598711903 /nfs/dbraw/zinc/71/19/03/598711903.db2.gz IFJHNOKCSDWGCI-LLVKDONJSA-N -1 1 393.404 0.292 20 0 GCADMM O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1)N1CCCC1 ZINC000737791507 598712662 /nfs/dbraw/zinc/71/26/62/598712662.db2.gz LCFSFJNPJIMPHA-GFCCVEGCSA-N -1 1 391.457 0.285 20 0 GCADMM O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1)N1CCCC1 ZINC000737791507 598712664 /nfs/dbraw/zinc/71/26/64/598712664.db2.gz LCFSFJNPJIMPHA-GFCCVEGCSA-N -1 1 391.457 0.285 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCn2c(nnc2C2CC2)C1 ZINC000738353964 598713367 /nfs/dbraw/zinc/71/33/67/598713367.db2.gz FSVVXATYXJNCKM-UHFFFAOYSA-N -1 1 390.404 0.679 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@@H]1CCCCNC1=O ZINC000737200998 598718173 /nfs/dbraw/zinc/71/81/73/598718173.db2.gz PHMQURMQNZPSSX-CYBMUJFWSA-N -1 1 387.444 0.644 20 0 GCADMM CN(Cc1cnn(C)c1)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736831560 598719514 /nfs/dbraw/zinc/71/95/14/598719514.db2.gz OZZGZWCMBPICEN-UHFFFAOYSA-N -1 1 378.396 0.574 20 0 GCADMM COC[C@H](C)NC(=O)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736969058 598719604 /nfs/dbraw/zinc/71/96/04/598719604.db2.gz JVDHFEMZZNKXHM-JTQLQIEISA-N -1 1 385.384 0.042 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2nccs2)c2ccccc2)n(C)c1=O ZINC000737595089 598758169 /nfs/dbraw/zinc/75/81/69/598758169.db2.gz FQFQUHZUDNCFLJ-GFCCVEGCSA-N -1 1 396.436 0.922 20 0 GCADMM CCc1nc2ccccc2n1CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736707725 598787413 /nfs/dbraw/zinc/78/74/13/598787413.db2.gz ZANYHUDFUZTTFI-UHFFFAOYSA-N -1 1 395.427 0.288 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1COCCO1 ZINC000737487747 598787564 /nfs/dbraw/zinc/78/75/64/598787564.db2.gz LSJNRVBQXQVJLD-LBPRGKRZSA-N -1 1 387.400 0.417 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1COCCO1 ZINC000737487747 598787566 /nfs/dbraw/zinc/78/75/66/598787566.db2.gz LSJNRVBQXQVJLD-LBPRGKRZSA-N -1 1 387.400 0.417 20 0 GCADMM COC(=O)C(C)(C)N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736887384 598803361 /nfs/dbraw/zinc/80/33/61/598803361.db2.gz GTHJEXNDLANWFH-UHFFFAOYSA-N -1 1 376.417 0.927 20 0 GCADMM O=C(CN1CCS(=O)CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737883621 598811849 /nfs/dbraw/zinc/81/18/49/598811849.db2.gz HQNIZMINJBTDQP-UHFFFAOYSA-N -1 1 386.441 0.055 20 0 GCADMM O=C(CN1CCS(=O)CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737883621 598811851 /nfs/dbraw/zinc/81/18/51/598811851.db2.gz HQNIZMINJBTDQP-UHFFFAOYSA-N -1 1 386.441 0.055 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccc(F)cc2F)C2CC2)n(C)c1=O ZINC000737592365 598815487 /nfs/dbraw/zinc/81/54/87/598815487.db2.gz NUCUVDJUSQFSCI-UHFFFAOYSA-N -1 1 389.366 0.711 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738353024 599301835 /nfs/dbraw/zinc/30/18/35/599301835.db2.gz BSPYPZXTKZPIQO-LLVKDONJSA-N -1 1 382.421 0.101 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738353024 599301838 /nfs/dbraw/zinc/30/18/38/599301838.db2.gz BSPYPZXTKZPIQO-LLVKDONJSA-N -1 1 382.421 0.101 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)n(C)c1=O ZINC000737597160 599305759 /nfs/dbraw/zinc/30/57/59/599305759.db2.gz QRGSQVMTJKNTHA-JQWIXIFHSA-N -1 1 377.449 0.517 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@@H]1O ZINC000737486847 599315870 /nfs/dbraw/zinc/31/58/70/599315870.db2.gz FTEORTRAMOOHST-DOMZBBRYSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@@H]1O ZINC000737486847 599315874 /nfs/dbraw/zinc/31/58/74/599315874.db2.gz FTEORTRAMOOHST-DOMZBBRYSA-N -1 1 384.444 0.736 20 0 GCADMM CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000819796402 599335284 /nfs/dbraw/zinc/33/52/84/599335284.db2.gz HESWSQHBFRSBBJ-UHFFFAOYSA-N -1 1 384.849 0.763 20 0 GCADMM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821592764 599335989 /nfs/dbraw/zinc/33/59/89/599335989.db2.gz UMFFEGKZPHICQG-UHFFFAOYSA-N -1 1 394.388 0.536 20 0 GCADMM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821592764 599335992 /nfs/dbraw/zinc/33/59/92/599335992.db2.gz UMFFEGKZPHICQG-UHFFFAOYSA-N -1 1 394.388 0.536 20 0 GCADMM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821592505 599336027 /nfs/dbraw/zinc/33/60/27/599336027.db2.gz JBHMSBNQMDBMPU-VIFPVBQESA-N -1 1 391.862 0.328 20 0 GCADMM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000823530693 599343113 /nfs/dbraw/zinc/34/31/13/599343113.db2.gz PBFWLLGTECNKPB-NSHDSACASA-N -1 1 394.432 0.781 20 0 GCADMM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000823530693 599343115 /nfs/dbraw/zinc/34/31/15/599343115.db2.gz PBFWLLGTECNKPB-NSHDSACASA-N -1 1 394.432 0.781 20 0 GCADMM Cc1nnc2n1CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC000822519192 599343222 /nfs/dbraw/zinc/34/32/22/599343222.db2.gz BAFNOMKOPWDPAJ-UHFFFAOYSA-N -1 1 380.821 0.625 20 0 GCADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819884608 599343756 /nfs/dbraw/zinc/34/37/56/599343756.db2.gz XQZTUZHMSSCGCH-RKDXNWHRSA-N -1 1 391.450 0.448 20 0 GCADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819884608 599343760 /nfs/dbraw/zinc/34/37/60/599343760.db2.gz XQZTUZHMSSCGCH-RKDXNWHRSA-N -1 1 391.450 0.448 20 0 GCADMM COCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC000821691396 599345933 /nfs/dbraw/zinc/34/59/33/599345933.db2.gz SRCGVUMZZMHTET-LLVKDONJSA-N -1 1 384.437 0.347 20 0 GCADMM COCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC000821691396 599345936 /nfs/dbraw/zinc/34/59/36/599345936.db2.gz SRCGVUMZZMHTET-LLVKDONJSA-N -1 1 384.437 0.347 20 0 GCADMM CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821598190 599346022 /nfs/dbraw/zinc/34/60/22/599346022.db2.gz UQWDNMBLORTVGJ-VIFPVBQESA-N -1 1 389.434 0.061 20 0 GCADMM CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821598190 599346025 /nfs/dbraw/zinc/34/60/25/599346025.db2.gz UQWDNMBLORTVGJ-VIFPVBQESA-N -1 1 389.434 0.061 20 0 GCADMM COC(=O)[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000821641240 599359092 /nfs/dbraw/zinc/35/90/92/599359092.db2.gz YWIKDRGOKMUIFM-CYBMUJFWSA-N -1 1 388.409 0.497 20 0 GCADMM COC(=O)[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000821641240 599359095 /nfs/dbraw/zinc/35/90/95/599359095.db2.gz YWIKDRGOKMUIFM-CYBMUJFWSA-N -1 1 388.409 0.497 20 0 GCADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)N1c1ccccc1 ZINC000820667422 599362415 /nfs/dbraw/zinc/36/24/15/599362415.db2.gz MEEARCXVUJFSNX-NHYWBVRUSA-N -1 1 399.436 0.734 20 0 GCADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)N1c1ccccc1 ZINC000820667422 599362417 /nfs/dbraw/zinc/36/24/17/599362417.db2.gz MEEARCXVUJFSNX-NHYWBVRUSA-N -1 1 399.436 0.734 20 0 GCADMM O=c1c(-c2nn[n-]n2)cn(CCOCCO)c2ccc(Br)cc12 ZINC000738372499 599370694 /nfs/dbraw/zinc/37/06/94/599370694.db2.gz QZZUKMMQILFPOZ-UHFFFAOYSA-N -1 1 380.202 0.953 20 0 GCADMM CN(C1CC1)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736778449 599447479 /nfs/dbraw/zinc/44/74/79/599447479.db2.gz GSFDRBBMSXNZLJ-UHFFFAOYSA-N -1 1 394.461 0.193 20 0 GCADMM COC(=O)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736906538 599449602 /nfs/dbraw/zinc/44/96/02/599449602.db2.gz GFTZXIFBCZJUBX-AWEZNQCLSA-N -1 1 388.409 0.797 20 0 GCADMM COC(=O)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736906538 599449604 /nfs/dbraw/zinc/44/96/04/599449604.db2.gz GFTZXIFBCZJUBX-AWEZNQCLSA-N -1 1 388.409 0.797 20 0 GCADMM C[C@@H]1CN(c2ccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cc2)CCO1 ZINC000736291596 599472303 /nfs/dbraw/zinc/47/23/03/599472303.db2.gz GBPBBHWDTGSZEM-LLVKDONJSA-N -1 1 398.427 0.233 20 0 GCADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736237511 599474555 /nfs/dbraw/zinc/47/45/55/599474555.db2.gz WXPWOIJPPJDIAP-ZYHUDNBSSA-N -1 1 385.403 0.786 20 0 GCADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000737424106 599529230 /nfs/dbraw/zinc/52/92/30/599529230.db2.gz RSSKIOWLCNFAEU-CHWSQXEVSA-N -1 1 381.440 0.955 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCN(C)C1=O ZINC000737487732 599553521 /nfs/dbraw/zinc/55/35/21/599553521.db2.gz LKTIDWFEIQBGBU-AWEZNQCLSA-N -1 1 397.443 0.148 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCN(C)C1=O ZINC000737487732 599553522 /nfs/dbraw/zinc/55/35/22/599553522.db2.gz LKTIDWFEIQBGBU-AWEZNQCLSA-N -1 1 397.443 0.148 20 0 GCADMM Cc1cccc2c(CCNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)c[nH]c21 ZINC000822331283 599579690 /nfs/dbraw/zinc/57/96/90/599579690.db2.gz BOOUAZWQGAFBTF-UHFFFAOYSA-N -1 1 380.412 0.708 20 0 GCADMM CC[C@H]1C(=O)NCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736396121 599586678 /nfs/dbraw/zinc/58/66/78/599586678.db2.gz LZRNGMQRXRXTQD-AWEZNQCLSA-N -1 1 395.427 0.201 20 0 GCADMM CC[C@H]1C(=O)NCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736396121 599586680 /nfs/dbraw/zinc/58/66/80/599586680.db2.gz LZRNGMQRXRXTQD-AWEZNQCLSA-N -1 1 395.427 0.201 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCS(=O)(=O)[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000737550722 599586898 /nfs/dbraw/zinc/58/68/98/599586898.db2.gz BWCGQIQLJRCMGI-WPRPVWTQSA-N -1 1 382.446 0.522 20 0 GCADMM CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000735942043 599595322 /nfs/dbraw/zinc/59/53/22/599595322.db2.gz BGYFSGITSGSNDF-JTQLQIEISA-N -1 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CCCc1n[nH]c([C@@H]2CN([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CCO2)n1 ZINC000829571785 601028209 /nfs/dbraw/zinc/02/82/09/601028209.db2.gz WUNAEUXBUOMBMR-OCCSQVGLSA-N -1 1 379.461 0.842 20 0 GCADMM Nc1c(C(=O)CN(CCC(=O)[O-])C2CCOCC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000833089909 601050208 /nfs/dbraw/zinc/05/02/08/601050208.db2.gz GFLUURMCBPILMW-UHFFFAOYSA-N -1 1 380.401 0.004 20 0 GCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000827374623 601084464 /nfs/dbraw/zinc/08/44/64/601084464.db2.gz JLCVEYIUVLOWFQ-BBRMVZONSA-N -1 1 387.436 0.513 20 0 GCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000827374630 601084488 /nfs/dbraw/zinc/08/44/88/601084488.db2.gz JLCVEYIUVLOWFQ-CJNGLKHVSA-N -1 1 387.436 0.513 20 0 GCADMM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)C1 ZINC000830131059 601085622 /nfs/dbraw/zinc/08/56/22/601085622.db2.gz QEUZZBGXMAECSM-KBPBESRZSA-N -1 1 375.491 0.056 20 0 GCADMM 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601130066 /nfs/dbraw/zinc/13/00/66/601130066.db2.gz HPFGKHBHIMZMFW-CYBMUJFWSA-N -1 1 378.429 0.954 20 0 GCADMM Cc1cc(S(N)(=O)=O)cc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1C ZINC000832905312 601134343 /nfs/dbraw/zinc/13/43/43/601134343.db2.gz XMAWCTJENZNWJK-LBPRGKRZSA-N -1 1 398.485 0.964 20 0 GCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000827455948 601140016 /nfs/dbraw/zinc/14/00/16/601140016.db2.gz PVPPVOVZCUMBGC-NSHDSACASA-N -1 1 381.408 0.606 20 0 GCADMM Cc1sc(NC(=O)C(=O)N[C@H](C)CN2CCN(C)CC2)c(C(=O)[O-])c1C ZINC000833035639 601140309 /nfs/dbraw/zinc/14/03/09/601140309.db2.gz NNMFHXIBHXSCGM-SNVBAGLBSA-N -1 1 382.486 0.754 20 0 GCADMM Cc1nc([C@@H]2CN(C(=O)Nc3nnc(CCCC(=O)[O-])s3)CCO2)n[nH]1 ZINC000832990744 601199181 /nfs/dbraw/zinc/19/91/81/601199181.db2.gz HBGIIFUOFIVTSN-VIFPVBQESA-N -1 1 381.418 0.977 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccccc2)C[C@H]2CCCO2)n(C)c1=O ZINC000822600990 607494895 /nfs/dbraw/zinc/49/48/95/607494895.db2.gz SBZRRPFMASLTRP-CQSZACIVSA-N -1 1 397.439 0.450 20 0 GCADMM CC[C@H](CO)N1CCN(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)CC1 ZINC000828890486 601221802 /nfs/dbraw/zinc/22/18/02/601221802.db2.gz HNBLSAFGAGMTTH-MRXNPFEDSA-N -1 1 392.456 0.350 20 0 GCADMM C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827461106 601234676 /nfs/dbraw/zinc/23/46/76/601234676.db2.gz MSNMUROPXFNOOV-SNVBAGLBSA-N -1 1 377.413 0.577 20 0 GCADMM C[C@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)CN1CCN(C)CC1 ZINC000827507149 601252377 /nfs/dbraw/zinc/25/23/77/601252377.db2.gz ANJWLSJZCCHXPO-GTBONMDNSA-N -1 1 381.498 0.946 20 0 GCADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000832194997 601252653 /nfs/dbraw/zinc/25/26/53/601252653.db2.gz IZXBOYVHVUAYLD-CYBMUJFWSA-N -1 1 385.486 0.555 20 0 GCADMM COc1ccc(-c2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])n[nH]2)cc1OC ZINC000832111689 601277792 /nfs/dbraw/zinc/27/77/92/601277792.db2.gz IGUKDCVBTDEZTN-ZDUSSCGKSA-N -1 1 388.380 0.509 20 0 GCADMM 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383.470 0.836 20 0 GCADMM Cc1ccc(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC000832943817 601527645 /nfs/dbraw/zinc/52/76/45/601527645.db2.gz NSEYPVKUKHBMHD-TZMCWYRMSA-N -1 1 383.470 0.836 20 0 GCADMM CCNC(=O)C(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825465590 607512769 /nfs/dbraw/zinc/51/27/69/607512769.db2.gz NUWLOLJDJRWGAO-UHFFFAOYSA-N -1 1 379.446 0.581 20 0 GCADMM O=C(C[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000826404202 607514165 /nfs/dbraw/zinc/51/41/65/607514165.db2.gz RYXNJZOQAITLCX-ZDUSSCGKSA-N -1 1 384.375 0.861 20 0 GCADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CN1C1CC1 ZINC000828168831 601569597 /nfs/dbraw/zinc/56/95/97/601569597.db2.gz RAYMREHJNUMFMT-BXUZGUMPSA-N -1 1 388.424 0.181 20 0 GCADMM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc(F)c1F ZINC000833304947 601575529 /nfs/dbraw/zinc/57/55/29/601575529.db2.gz QOKQGDZXTMUGEX-VHSXEESVSA-N -1 1 376.381 0.805 20 0 GCADMM CC(C)(CNC(=O)NCCCCN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000826581003 601670962 /nfs/dbraw/zinc/67/09/62/601670962.db2.gz RPCMVQICQYVVPZ-UHFFFAOYSA-N -1 1 378.477 0.789 20 0 GCADMM COC[C@](C)(NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)[O-] ZINC000831617858 601691422 /nfs/dbraw/zinc/69/14/22/601691422.db2.gz WDBHPDWORDHICR-HNNXBMFYSA-N -1 1 390.414 0.295 20 0 GCADMM COc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc(NS(C)(=O)=O)c1OC ZINC000831866613 601718859 /nfs/dbraw/zinc/71/88/59/601718859.db2.gz XEHBCYDAQZXVIM-KOLCDFICSA-N -1 1 386.426 0.868 20 0 GCADMM C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000827455990 601761283 /nfs/dbraw/zinc/76/12/83/601761283.db2.gz QGKGSTVJSBLJEJ-CQSZACIVSA-N -1 1 392.456 0.231 20 0 GCADMM COc1ccc(CN2C(=O)C(=O)N(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)C2=O)cc1 ZINC000832314349 601816123 /nfs/dbraw/zinc/81/61/23/601816123.db2.gz JYQHQCNAUMLLBL-FZMZJTMJSA-N -1 1 375.381 0.596 20 0 GCADMM C[C@H]1CN(Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)C[C@@H]1C(=O)[O-] ZINC000828462509 601820254 /nfs/dbraw/zinc/82/02/54/601820254.db2.gz KFHQCOSCDUSRBZ-JQWIXIFHSA-N -1 1 383.426 0.455 20 0 GCADMM CC(C)[C@H](NCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000827091788 601824816 /nfs/dbraw/zinc/82/48/16/601824816.db2.gz DBSLQDFJACHDML-WFASDCNBSA-N -1 1 388.511 0.963 20 0 GCADMM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NCc2c[nH]c(C(=O)[O-])c2)c1 ZINC000831038964 601833200 /nfs/dbraw/zinc/83/32/00/601833200.db2.gz WBWOQNHGHFTYNL-SNVBAGLBSA-N -1 1 380.426 0.738 20 0 GCADMM CN1CCN(S(=O)(=O)c2ccccc2CNCc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000830959734 601834461 /nfs/dbraw/zinc/83/44/61/601834461.db2.gz ASORTMUHQFWKIZ-UHFFFAOYSA-N -1 1 392.481 0.939 20 0 GCADMM CS(=O)(=O)c1ccc(S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826224270 607531044 /nfs/dbraw/zinc/53/10/44/607531044.db2.gz XEISLKYNJQYZKE-UHFFFAOYSA-N -1 1 379.423 0.639 20 0 GCADMM CS(=O)(=O)c1ccc(S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826224270 607531045 /nfs/dbraw/zinc/53/10/45/607531045.db2.gz XEISLKYNJQYZKE-UHFFFAOYSA-N -1 1 379.423 0.639 20 0 GCADMM CC(C)(O)CN1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)CC1 ZINC000826636873 601877712 /nfs/dbraw/zinc/87/77/12/601877712.db2.gz RTUAAWJYRRIOIW-UHFFFAOYSA-N -1 1 390.440 0.499 20 0 GCADMM COC(=O)[C@]1(C)CCN(CCS(=O)(=O)CCN2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000831090299 601924573 /nfs/dbraw/zinc/92/45/73/601924573.db2.gz ZRIOKSDNONCARL-DLBZAZTESA-N -1 1 390.502 0.083 20 0 GCADMM O=C([O-])c1cc(S(=O)(=O)NCCc2nc[nH]n2)c(Br)cc1F ZINC000833304770 601996100 /nfs/dbraw/zinc/99/61/00/601996100.db2.gz KBPFZYVBUGXNLI-UHFFFAOYSA-N -1 1 393.194 0.926 20 0 GCADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2)[nH]1 ZINC000831188817 602030317 /nfs/dbraw/zinc/03/03/17/602030317.db2.gz JROPIZOCXDEUNJ-IBGZPJMESA-N -1 1 387.392 0.818 20 0 GCADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000831243176 602063035 /nfs/dbraw/zinc/06/30/35/602063035.db2.gz VQSPRRRDTDXSAW-ZUZCIYMTSA-N -1 1 382.438 0.932 20 0 GCADMM CCOCCO[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825605656 607551242 /nfs/dbraw/zinc/55/12/42/607551242.db2.gz ZSAICOKIYKHRGR-LBPRGKRZSA-N -1 1 385.421 0.822 20 0 GCADMM C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824421787 607551316 /nfs/dbraw/zinc/55/13/16/607551316.db2.gz VELKOJOLSZTPGR-SNVBAGLBSA-N -1 1 397.461 0.701 20 0 GCADMM C[C@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824421787 607551318 /nfs/dbraw/zinc/55/13/18/607551318.db2.gz VELKOJOLSZTPGR-SNVBAGLBSA-N -1 1 397.461 0.701 20 0 GCADMM CCC[C@@H](O)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825248611 607554423 /nfs/dbraw/zinc/55/44/23/607554423.db2.gz XBLFHCLOGCNQLJ-GFCCVEGCSA-N -1 1 375.433 0.932 20 0 GCADMM CC(C)[C@H](O)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824207508 607554598 /nfs/dbraw/zinc/55/45/98/607554598.db2.gz YHJCCFHLCWTWDT-GFCCVEGCSA-N -1 1 375.433 0.788 20 0 GCADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(F)c3)cnc21 ZINC000677234832 602323243 /nfs/dbraw/zinc/32/32/43/602323243.db2.gz OBRUJWWSXPPSDW-UHFFFAOYSA-N -1 1 394.340 0.672 20 0 GCADMM CN(CC(=O)Nc1ccsc1C(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000830683866 602346301 /nfs/dbraw/zinc/34/63/01/602346301.db2.gz NVOWQZOIQBKHCV-UHFFFAOYSA-N -1 1 375.472 0.741 20 0 GCADMM O=c1[nH]cnc2c1CN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000826501254 607565007 /nfs/dbraw/zinc/56/50/07/607565007.db2.gz HFTQKLWCUWHJIU-UHFFFAOYSA-N -1 1 377.361 0.248 20 0 GCADMM O=c1[nH]cnc2c1CN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000826501254 607565009 /nfs/dbraw/zinc/56/50/09/607565009.db2.gz HFTQKLWCUWHJIU-UHFFFAOYSA-N -1 1 377.361 0.248 20 0 GCADMM O=c1[nH]cnc2c1CN(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826501453 607565376 /nfs/dbraw/zinc/56/53/76/607565376.db2.gz QSMVMAPXTZBMJJ-UHFFFAOYSA-N -1 1 393.816 0.763 20 0 GCADMM O=c1[nH]cnc2c1CN(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826501453 607565377 /nfs/dbraw/zinc/56/53/77/607565377.db2.gz QSMVMAPXTZBMJJ-UHFFFAOYSA-N -1 1 393.816 0.763 20 0 GCADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000736420939 602420406 /nfs/dbraw/zinc/42/04/06/602420406.db2.gz JPXSQSMALDFJBQ-IAGOWNOFSA-N -1 1 384.521 0.922 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC000825000220 607570552 /nfs/dbraw/zinc/57/05/52/607570552.db2.gz OGIHAHIBVVTIOH-QWHCGFSZSA-N -1 1 394.443 0.153 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC000825000220 607570554 /nfs/dbraw/zinc/57/05/54/607570554.db2.gz OGIHAHIBVVTIOH-QWHCGFSZSA-N -1 1 394.443 0.153 20 0 GCADMM O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490909 607580857 /nfs/dbraw/zinc/58/08/57/607580857.db2.gz MIINFFNXZWFQRZ-LBPRGKRZSA-N -1 1 385.421 0.870 20 0 GCADMM CC(C)[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCOCC1 ZINC000824191080 607581332 /nfs/dbraw/zinc/58/13/32/607581332.db2.gz CPFKWDMSCYYCAL-ZDUSSCGKSA-N -1 1 398.464 0.641 20 0 GCADMM CC(C)[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)N1CCOCC1 ZINC000824191080 607581334 /nfs/dbraw/zinc/58/13/34/607581334.db2.gz CPFKWDMSCYYCAL-ZDUSSCGKSA-N -1 1 398.464 0.641 20 0 GCADMM NC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826388735 607582074 /nfs/dbraw/zinc/58/20/74/607582074.db2.gz ICFZLJPFSCODHA-CYBMUJFWSA-N -1 1 376.373 0.511 20 0 GCADMM O=C1CCCN1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826480532 607582999 /nfs/dbraw/zinc/58/29/99/607582999.db2.gz GCDJQVOSQUUILL-UHFFFAOYSA-N -1 1 384.849 0.811 20 0 GCADMM O=C1CCCN1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826480532 607583000 /nfs/dbraw/zinc/58/30/00/607583000.db2.gz GCDJQVOSQUUILL-UHFFFAOYSA-N -1 1 384.849 0.811 20 0 GCADMM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824289240 607811401 /nfs/dbraw/zinc/81/14/01/607811401.db2.gz YJACNLXVRGEUTM-UHFFFAOYSA-N -1 1 391.450 0.450 20 0 GCADMM NC(=O)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826393876 607584113 /nfs/dbraw/zinc/58/41/13/607584113.db2.gz NETWYQULZPISQZ-UHFFFAOYSA-N -1 1 376.373 0.583 20 0 GCADMM NC(=O)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826393876 607584114 /nfs/dbraw/zinc/58/41/14/607584114.db2.gz NETWYQULZPISQZ-UHFFFAOYSA-N -1 1 376.373 0.583 20 0 GCADMM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826497084 607584612 /nfs/dbraw/zinc/58/46/12/607584612.db2.gz UGYCNKBZWAHRSH-MRVPVSSYSA-N -1 1 391.862 0.233 20 0 GCADMM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826497084 607584614 /nfs/dbraw/zinc/58/46/14/607584614.db2.gz UGYCNKBZWAHRSH-MRVPVSSYSA-N -1 1 391.862 0.233 20 0 GCADMM CN(C)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000825879758 607585094 /nfs/dbraw/zinc/58/50/94/607585094.db2.gz RCUGSGCPHFGIKC-UHFFFAOYSA-N -1 1 377.405 0.945 20 0 GCADMM CN(C)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000825879758 607585096 /nfs/dbraw/zinc/58/50/96/607585096.db2.gz RCUGSGCPHFGIKC-UHFFFAOYSA-N -1 1 377.405 0.945 20 0 GCADMM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824420330 607588378 /nfs/dbraw/zinc/58/83/78/607588378.db2.gz HYCPEHRBKWQQRO-JTQLQIEISA-N -1 1 386.865 0.519 20 0 GCADMM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824420330 607588379 /nfs/dbraw/zinc/58/83/79/607588379.db2.gz HYCPEHRBKWQQRO-JTQLQIEISA-N -1 1 386.865 0.519 20 0 GCADMM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826389070 607599476 /nfs/dbraw/zinc/59/94/76/607599476.db2.gz PHLBRODQUGJJMI-CYBMUJFWSA-N -1 1 390.400 0.381 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)NCc1ccco1 ZINC000824640443 607599740 /nfs/dbraw/zinc/59/97/40/607599740.db2.gz ISZMLDUQNLBYBW-VIFPVBQESA-N -1 1 394.388 0.582 20 0 GCADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)NCc1ccco1 ZINC000824640443 607599742 /nfs/dbraw/zinc/59/97/42/607599742.db2.gz ISZMLDUQNLBYBW-VIFPVBQESA-N -1 1 394.388 0.582 20 0 GCADMM NS(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826394775 607599890 /nfs/dbraw/zinc/59/98/90/607599890.db2.gz YXBGUSIXKZCLQQ-UHFFFAOYSA-N -1 1 394.800 0.920 20 0 GCADMM NS(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826394775 607599892 /nfs/dbraw/zinc/59/98/92/607599892.db2.gz YXBGUSIXKZCLQQ-UHFFFAOYSA-N -1 1 394.800 0.920 20 0 GCADMM NS(=O)(=O)c1ccc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000826394626 607601344 /nfs/dbraw/zinc/60/13/44/607601344.db2.gz RGDQRSFHHAUYPO-UHFFFAOYSA-N -1 1 380.411 0.257 20 0 GCADMM NS(=O)(=O)c1ccc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000826394626 607601345 /nfs/dbraw/zinc/60/13/45/607601345.db2.gz RGDQRSFHHAUYPO-UHFFFAOYSA-N -1 1 380.411 0.257 20 0 GCADMM NS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1F ZINC000826394195 607604535 /nfs/dbraw/zinc/60/45/35/607604535.db2.gz ATDDIDQPUPDGQR-UHFFFAOYSA-N -1 1 396.335 0.544 20 0 GCADMM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824176878 607605680 /nfs/dbraw/zinc/60/56/80/607605680.db2.gz BUIFMAAYONYRKQ-UHFFFAOYSA-N -1 1 396.448 0.885 20 0 GCADMM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824216860 607606726 /nfs/dbraw/zinc/60/67/26/607606726.db2.gz WGELPXOUUBJPEQ-GFCCVEGCSA-N -1 1 384.849 0.665 20 0 GCADMM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824216860 607606727 /nfs/dbraw/zinc/60/67/27/607606727.db2.gz WGELPXOUUBJPEQ-GFCCVEGCSA-N -1 1 384.849 0.665 20 0 GCADMM CC[S@@](=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825669458 607612643 /nfs/dbraw/zinc/61/26/43/607612643.db2.gz YFWWMGMRMFGZHJ-XMMPIXPASA-N -1 1 397.404 0.932 20 0 GCADMM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824104853 607615925 /nfs/dbraw/zinc/61/59/25/607615925.db2.gz ZYMVVLBOSYUNGC-UHFFFAOYSA-N -1 1 398.420 0.903 20 0 GCADMM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824104853 607615927 /nfs/dbraw/zinc/61/59/27/607615927.db2.gz ZYMVVLBOSYUNGC-UHFFFAOYSA-N -1 1 398.420 0.903 20 0 GCADMM CC(C)N1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1=O ZINC000824296957 607615961 /nfs/dbraw/zinc/61/59/61/607615961.db2.gz MYCOEYNUIMSNNB-JTQLQIEISA-N -1 1 384.849 0.808 20 0 GCADMM CC(C)N1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1=O ZINC000824296957 607615963 /nfs/dbraw/zinc/61/59/63/607615963.db2.gz MYCOEYNUIMSNNB-JTQLQIEISA-N -1 1 384.849 0.808 20 0 GCADMM C[S@](=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826225002 607618442 /nfs/dbraw/zinc/61/84/42/607618442.db2.gz QYSXSABNYPCBGV-QHCPKHFHSA-N -1 1 383.377 0.542 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCS1(=O)=O ZINC000824991686 607619968 /nfs/dbraw/zinc/61/99/68/607619968.db2.gz FDTKFJOJBKVWOX-MRVPVSSYSA-N -1 1 391.862 0.328 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCS1(=O)=O ZINC000824991686 607619970 /nfs/dbraw/zinc/61/99/70/607619970.db2.gz FDTKFJOJBKVWOX-MRVPVSSYSA-N -1 1 391.862 0.328 20 0 GCADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CN1CCOCC1 ZINC000824426788 607620791 /nfs/dbraw/zinc/62/07/91/607620791.db2.gz IAOQSRAYVGMYHY-NSHDSACASA-N -1 1 384.437 0.252 20 0 GCADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CN1CCOCC1 ZINC000824426788 607620792 /nfs/dbraw/zinc/62/07/92/607620792.db2.gz IAOQSRAYVGMYHY-NSHDSACASA-N -1 1 384.437 0.252 20 0 GCADMM COc1ccc([C@H](CCO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826189211 607623650 /nfs/dbraw/zinc/62/36/50/607623650.db2.gz PVQXRXUNKSMVJN-AWEZNQCLSA-N -1 1 390.425 0.672 20 0 GCADMM COc1ccc([C@H](CCO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826189211 607623652 /nfs/dbraw/zinc/62/36/52/607623652.db2.gz PVQXRXUNKSMVJN-AWEZNQCLSA-N -1 1 390.425 0.672 20 0 GCADMM Cc1nc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000830704716 603493147 /nfs/dbraw/zinc/49/31/47/603493147.db2.gz PTBZKJHKQWVOTO-SSDOTTSWSA-N -1 1 388.310 0.585 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(CCO)Cc1cccnc1 ZINC000826496394 607633298 /nfs/dbraw/zinc/63/32/98/607633298.db2.gz UUUWWZHJJYQQFP-UHFFFAOYSA-N -1 1 378.389 0.584 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(CCO)Cc1cccnc1 ZINC000826496394 607633299 /nfs/dbraw/zinc/63/32/99/607633299.db2.gz UUUWWZHJJYQQFP-UHFFFAOYSA-N -1 1 378.389 0.584 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CCO)[C@H]1CCc2ccccc21 ZINC000826494899 607638781 /nfs/dbraw/zinc/63/87/81/607638781.db2.gz UKSCRENAWDVWJR-INIZCTEOSA-N -1 1 386.437 0.932 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CCO)[C@H]1CCc2ccccc21 ZINC000826494899 607638783 /nfs/dbraw/zinc/63/87/83/607638783.db2.gz UKSCRENAWDVWJR-INIZCTEOSA-N -1 1 386.437 0.932 20 0 GCADMM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000825399124 607642022 /nfs/dbraw/zinc/64/20/22/607642022.db2.gz JSHNUCNWCCPBFN-LLVKDONJSA-N -1 1 382.446 0.524 20 0 GCADMM COC(=O)[C@H](COC(C)C)N(C)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826103809 607642373 /nfs/dbraw/zinc/64/23/73/607642373.db2.gz LHWYGYWYUAZPBX-LBPRGKRZSA-N -1 1 394.432 0.913 20 0 GCADMM C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824391020 607645375 /nfs/dbraw/zinc/64/53/75/607645375.db2.gz GFDOTUSOAPVMOH-LURJTMIESA-N -1 1 378.336 0.428 20 0 GCADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC000824705442 607648281 /nfs/dbraw/zinc/64/82/81/607648281.db2.gz ASNIZUYZBPMSBX-GHMZBOCLSA-N -1 1 384.437 0.081 20 0 GCADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC000824705442 607648283 /nfs/dbraw/zinc/64/82/83/607648283.db2.gz ASNIZUYZBPMSBX-GHMZBOCLSA-N -1 1 384.437 0.081 20 0 GCADMM COCCOC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826161236 607648661 /nfs/dbraw/zinc/64/86/61/607648661.db2.gz YJHRKMZPMDEELD-SECBINFHSA-N -1 1 375.838 0.850 20 0 GCADMM COCCOC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826161236 607648662 /nfs/dbraw/zinc/64/86/62/607648662.db2.gz YJHRKMZPMDEELD-SECBINFHSA-N -1 1 375.838 0.850 20 0 GCADMM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1=O ZINC000824900972 607653429 /nfs/dbraw/zinc/65/34/29/607653429.db2.gz XBAAANGYSLJUGA-FXPVBKGRSA-N -1 1 396.860 0.808 20 0 GCADMM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1=O ZINC000824900972 607653431 /nfs/dbraw/zinc/65/34/31/607653431.db2.gz XBAAANGYSLJUGA-FXPVBKGRSA-N -1 1 396.860 0.808 20 0 GCADMM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1=O ZINC000824899426 607653892 /nfs/dbraw/zinc/65/38/92/607653892.db2.gz JQBWEFHKZXYCSJ-UISBYWKRSA-N -1 1 380.405 0.293 20 0 GCADMM CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCN1C[C@@H](C)O ZINC000825209853 607652230 /nfs/dbraw/zinc/65/22/30/607652230.db2.gz DAEDKEBKVLDMHO-VXGBXAGGSA-N -1 1 398.464 0.472 20 0 GCADMM O=S(=O)(NCC1(CO)CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490078 607659986 /nfs/dbraw/zinc/65/99/86/607659986.db2.gz JKCJBXJRYKSGEY-UHFFFAOYSA-N -1 1 377.348 0.936 20 0 GCADMM COC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826148700 607662903 /nfs/dbraw/zinc/66/29/03/607662903.db2.gz OSNJELDVYGUNQN-CQSZACIVSA-N -1 1 387.393 0.252 20 0 GCADMM COC[C@](C)(CC(=O)OC)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826148699 607663256 /nfs/dbraw/zinc/66/32/56/607663256.db2.gz OSNJELDVYGUNQN-AWEZNQCLSA-N -1 1 387.393 0.252 20 0 GCADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000824991552 607665142 /nfs/dbraw/zinc/66/51/42/607665142.db2.gz CGLICCSJVMTVRL-FZMZJTMJSA-N -1 1 396.448 0.347 20 0 GCADMM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826329242 607666169 /nfs/dbraw/zinc/66/61/69/607666169.db2.gz VQPDKNVUHBKBQN-SNVBAGLBSA-N -1 1 378.393 0.719 20 0 GCADMM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826329242 607666171 /nfs/dbraw/zinc/66/61/71/607666171.db2.gz VQPDKNVUHBKBQN-SNVBAGLBSA-N -1 1 378.393 0.719 20 0 GCADMM COc1cccc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826216258 607668076 /nfs/dbraw/zinc/66/80/76/607668076.db2.gz QHNCDIMTFBUZMB-UHFFFAOYSA-N -1 1 378.389 0.930 20 0 GCADMM COc1cccc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826216258 607668078 /nfs/dbraw/zinc/66/80/78/607668078.db2.gz QHNCDIMTFBUZMB-UHFFFAOYSA-N -1 1 378.389 0.930 20 0 GCADMM COCCCOC1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826156604 607668296 /nfs/dbraw/zinc/66/82/96/607668296.db2.gz LTFIUDHAJAVLBZ-UHFFFAOYSA-N -1 1 387.849 0.946 20 0 GCADMM COCCCOC1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826156604 607668298 /nfs/dbraw/zinc/66/82/98/607668298.db2.gz LTFIUDHAJAVLBZ-UHFFFAOYSA-N -1 1 387.849 0.946 20 0 GCADMM COC(=O)[C@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCOC1 ZINC000826124218 607669721 /nfs/dbraw/zinc/66/97/21/607669721.db2.gz QBPUTQNFZQRTRB-ZDUSSCGKSA-N -1 1 387.805 0.131 20 0 GCADMM COC(=O)[C@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCOC1 ZINC000826124218 607669722 /nfs/dbraw/zinc/66/97/22/607669722.db2.gz QBPUTQNFZQRTRB-ZDUSSCGKSA-N -1 1 387.805 0.131 20 0 GCADMM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000825034552 607673284 /nfs/dbraw/zinc/67/32/84/607673284.db2.gz LIULSKXOESHDCK-SECBINFHSA-N -1 1 384.849 0.809 20 0 GCADMM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000825034552 607673285 /nfs/dbraw/zinc/67/32/85/607673285.db2.gz LIULSKXOESHDCK-SECBINFHSA-N -1 1 384.849 0.809 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481332 607671273 /nfs/dbraw/zinc/67/12/73/607671273.db2.gz PZZWANYOCPHNBX-WDEREUQCSA-N -1 1 396.860 0.952 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481332 607671275 /nfs/dbraw/zinc/67/12/75/607671275.db2.gz PZZWANYOCPHNBX-WDEREUQCSA-N -1 1 396.860 0.952 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]2CCCC[C@H]2N1 ZINC000826481133 607671330 /nfs/dbraw/zinc/67/13/30/607671330.db2.gz INUSSCIFFXGYEK-GHMZBOCLSA-N -1 1 380.405 0.438 20 0 GCADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]2CCCC[C@H]2N1 ZINC000826481133 607671332 /nfs/dbraw/zinc/67/13/32/607671332.db2.gz INUSSCIFFXGYEK-GHMZBOCLSA-N -1 1 380.405 0.438 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@H]2CCCC[C@@H]2N1 ZINC000826481129 607671342 /nfs/dbraw/zinc/67/13/42/607671342.db2.gz INIAMOOPEMDQIC-RYUDHWBXSA-N -1 1 396.860 0.952 20 0 GCADMM O=C1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)[C@@H]2CCCC[C@H]2N1 ZINC000826481130 607671419 /nfs/dbraw/zinc/67/14/19/607671419.db2.gz INIAMOOPEMDQIC-VXGBXAGGSA-N -1 1 396.860 0.952 20 0 GCADMM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824406158 607673778 /nfs/dbraw/zinc/67/37/78/607673778.db2.gz DSCZUXCHFIUIRJ-QMMMGPOBSA-N -1 1 377.423 0.107 20 0 GCADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(-c2nn[nH]n2)cc1F ZINC000825565901 607674689 /nfs/dbraw/zinc/67/46/89/607674689.db2.gz ZUVIZBUPZGHIPP-UHFFFAOYSA-N -1 1 382.333 0.673 20 0 GCADMM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825583799 607676478 /nfs/dbraw/zinc/67/64/78/607676478.db2.gz XMQWDZPRMDBTBC-NSHDSACASA-N -1 1 387.393 0.204 20 0 GCADMM CNC(=O)NC(=O)CCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831001270 604360818 /nfs/dbraw/zinc/36/08/18/604360818.db2.gz ZERHGHDPDGMEHP-HNNXBMFYSA-N -1 1 382.848 0.929 20 0 GCADMM CNc1nc(N2CCC[C@@H]2CC(=O)[O-])nc(N2CCC[C@@H]2CC(=O)OC)n1 ZINC000831046256 604468958 /nfs/dbraw/zinc/46/89/58/604468958.db2.gz CFURVHHBXPIVJY-VXGBXAGGSA-N -1 1 378.433 0.311 20 0 GCADMM COC(=O)C1=C(CN[C@]2(C(=O)[O-])CCOC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000833702923 604486760 /nfs/dbraw/zinc/48/67/60/604486760.db2.gz BMSODAGBCVLIAJ-HNAYVOBHSA-N -1 1 389.408 0.643 20 0 GCADMM CCNC(=O)NC(=O)[C@@H](C)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833656624 604618633 /nfs/dbraw/zinc/61/86/33/604618633.db2.gz FQASATWHXIZURZ-KUHUBIRLSA-N -1 1 376.457 0.930 20 0 GCADMM CCNC(=O)NC(=O)[C@H](C)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833656628 604618664 /nfs/dbraw/zinc/61/86/64/604618664.db2.gz FQASATWHXIZURZ-LIRRHRJNSA-N -1 1 376.457 0.930 20 0 GCADMM C[C@]1(c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2)NC(=O)NC1=O ZINC000833573647 604688239 /nfs/dbraw/zinc/68/82/39/604688239.db2.gz KYGNWEFDKRORGA-MRXNPFEDSA-N -1 1 390.377 0.635 20 0 GCADMM COc1cc2c(cc1OC)CN(C(=O)CN1CCC(O)(C(=O)[O-])CC1)CC2 ZINC000833729996 604730792 /nfs/dbraw/zinc/73/07/92/604730792.db2.gz KWNTZFFZWIFNKG-UHFFFAOYSA-N -1 1 378.425 0.500 20 0 GCADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)O1 ZINC000833579839 604826161 /nfs/dbraw/zinc/82/61/61/604826161.db2.gz NHBDODAKNYSXQZ-AWEZNQCLSA-N -1 1 381.454 0.604 20 0 GCADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000827694091 604836625 /nfs/dbraw/zinc/83/66/25/604836625.db2.gz AZXAKGWDANWYKG-JTQLQIEISA-N -1 1 386.368 0.143 20 0 GCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cc(=O)n2ccccc2n1 ZINC000826294918 607717564 /nfs/dbraw/zinc/71/75/64/607717564.db2.gz JLQVDISOBPHZFS-UHFFFAOYSA-N -1 1 386.375 0.941 20 0 GCADMM CC(C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000833465916 604899457 /nfs/dbraw/zinc/89/94/57/604899457.db2.gz PCUVKXWQGABBKR-GJZGRUSLSA-N -1 1 384.392 0.842 20 0 GCADMM C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410171 604937466 /nfs/dbraw/zinc/93/74/66/604937466.db2.gz VFULWYMJJPLHOA-GHMZBOCLSA-N -1 1 380.445 0.060 20 0 GCADMM O=C([O-])Cn1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 ZINC000833275235 604957919 /nfs/dbraw/zinc/95/79/19/604957919.db2.gz BYKKMQRVLPUPIA-HOTGVXAUSA-N -1 1 387.440 0.972 20 0 GCADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCN(C(=O)CN(C)C)CC1 ZINC000826007882 604959754 /nfs/dbraw/zinc/95/97/54/604959754.db2.gz BLYGZBXWCBKQEE-CQSZACIVSA-N -1 1 376.457 0.095 20 0 GCADMM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCN(C(=O)CN(C)C)CC3)nc(=O)c12 ZINC000832853301 604960385 /nfs/dbraw/zinc/96/03/85/604960385.db2.gz UTAHPOXNOWPCDQ-UHFFFAOYSA-N -1 1 393.469 0.197 20 0 GCADMM CN(C)CC(=O)N1CCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000830596407 604960621 /nfs/dbraw/zinc/96/06/21/604960621.db2.gz LPSGHAQQIBPVCZ-UHFFFAOYSA-N -1 1 377.445 0.099 20 0 GCADMM Cc1sc(NC(=O)CN2CCN(C(=O)CN(C)C)CC2)c(C(=O)[O-])c1C ZINC000833034022 604960644 /nfs/dbraw/zinc/96/06/44/604960644.db2.gz LSBHVUYCONSRKI-UHFFFAOYSA-N -1 1 382.486 0.707 20 0 GCADMM CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CCC[C@H]1CC(=O)[O-] ZINC000830626798 604980106 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KNZXGASRGYBDCS-JEKXNZCQSA-N -1 1 384.487 0.620 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1-c1nn[n-]n1 ZINC000821977180 606125571 /nfs/dbraw/zinc/12/55/71/606125571.db2.gz DXFHQQLDPOLZIN-JGVFFNPUSA-N -1 1 377.430 0.463 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1-c1nn[n-]n1 ZINC000821977182 606125818 /nfs/dbraw/zinc/12/58/18/606125818.db2.gz DXFHQQLDPOLZIN-YUMQZZPRSA-N -1 1 377.430 0.463 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)n1 ZINC000822619682 606127811 /nfs/dbraw/zinc/12/78/11/606127811.db2.gz FKQYWERCWMIBJB-NSHDSACASA-N -1 1 380.368 0.058 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)n1 ZINC000822619682 606127812 /nfs/dbraw/zinc/12/78/12/606127812.db2.gz FKQYWERCWMIBJB-NSHDSACASA-N -1 1 380.368 0.058 20 0 GCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000820513436 606131883 /nfs/dbraw/zinc/13/18/83/606131883.db2.gz ZULQKUXJEKMZCX-LURJTMIESA-N -1 1 385.369 0.779 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCC2(CC1)OCCO2 ZINC000823396426 606138309 /nfs/dbraw/zinc/13/83/09/606138309.db2.gz JMGHKZPFVMICOS-UHFFFAOYSA-N -1 1 379.398 0.451 20 0 GCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCC2(CC1)OCCO2 ZINC000823396426 606138311 /nfs/dbraw/zinc/13/83/11/606138311.db2.gz JMGHKZPFVMICOS-UHFFFAOYSA-N -1 1 379.398 0.451 20 0 GCADMM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819796691 606139028 /nfs/dbraw/zinc/13/90/28/606139028.db2.gz NHFSFUIPFSIXKX-SECBINFHSA-N -1 1 378.414 0.164 20 0 GCADMM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819796691 606139029 /nfs/dbraw/zinc/13/90/29/606139029.db2.gz NHFSFUIPFSIXKX-SECBINFHSA-N -1 1 378.414 0.164 20 0 GCADMM COC(=O)COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821662813 606155509 /nfs/dbraw/zinc/15/55/09/606155509.db2.gz UQUZKAHZSZYMLX-UHFFFAOYSA-N -1 1 386.372 0.474 20 0 GCADMM COC(=O)COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821662813 606155511 /nfs/dbraw/zinc/15/55/11/606155511.db2.gz UQUZKAHZSZYMLX-UHFFFAOYSA-N -1 1 386.372 0.474 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)n1 ZINC000822609609 606159077 /nfs/dbraw/zinc/15/90/77/606159077.db2.gz RXJFEVMRKGSAQW-LLVKDONJSA-N -1 1 381.400 0.807 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)n1 ZINC000822609609 606159078 /nfs/dbraw/zinc/15/90/78/606159078.db2.gz RXJFEVMRKGSAQW-LLVKDONJSA-N -1 1 381.400 0.807 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)COc2ccc(F)cc2)n1 ZINC000822614889 606159881 /nfs/dbraw/zinc/15/98/81/606159881.db2.gz WFUBRJKWMLUUOB-JTQLQIEISA-N -1 1 376.352 0.301 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)COc2ccc(F)cc2)n1 ZINC000822614889 606159882 /nfs/dbraw/zinc/15/98/82/606159882.db2.gz WFUBRJKWMLUUOB-JTQLQIEISA-N -1 1 376.352 0.301 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(Cn3cncn3)cc2)n1 ZINC000822620502 606160244 /nfs/dbraw/zinc/16/02/44/606160244.db2.gz UFSYVYUTQURQPL-UHFFFAOYSA-N -1 1 379.388 0.562 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(Cn3cncn3)cc2)n1 ZINC000822620502 606160245 /nfs/dbraw/zinc/16/02/45/606160245.db2.gz UFSYVYUTQURQPL-UHFFFAOYSA-N -1 1 379.388 0.562 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)n1 ZINC000822608267 606165655 /nfs/dbraw/zinc/16/56/55/606165655.db2.gz CBRXMNFYGWRPJH-UHFFFAOYSA-N -1 1 399.390 0.616 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)n1 ZINC000822608267 606165657 /nfs/dbraw/zinc/16/56/57/606165657.db2.gz CBRXMNFYGWRPJH-UHFFFAOYSA-N -1 1 399.390 0.616 20 0 GCADMM CCN(Cc1ccccc1)C(=O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821222799 606166700 /nfs/dbraw/zinc/16/67/00/606166700.db2.gz ZTAXKONHVSXXQX-UHFFFAOYSA-N -1 1 383.416 0.770 20 0 GCADMM CCN(Cc1ccccc1)C(=O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821222799 606166702 /nfs/dbraw/zinc/16/67/02/606166702.db2.gz ZTAXKONHVSXXQX-UHFFFAOYSA-N -1 1 383.416 0.770 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(=O)N2CCc3ccccc3C2)n1 ZINC000822614852 606167530 /nfs/dbraw/zinc/16/75/30/606167530.db2.gz VBKFURSVLDOQMH-UHFFFAOYSA-N -1 1 381.400 0.307 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(=O)N2CCc3ccccc3C2)n1 ZINC000822614852 606167532 /nfs/dbraw/zinc/16/75/32/606167532.db2.gz VBKFURSVLDOQMH-UHFFFAOYSA-N -1 1 381.400 0.307 20 0 GCADMM CCN(CC)C(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821170216 606168300 /nfs/dbraw/zinc/16/83/00/606168300.db2.gz NVSHCMHHDLFWHI-UHFFFAOYSA-N -1 1 375.437 0.713 20 0 GCADMM CCN(CC)C(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821170216 606168301 /nfs/dbraw/zinc/16/83/01/606168301.db2.gz NVSHCMHHDLFWHI-UHFFFAOYSA-N -1 1 375.437 0.713 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCS(=O)(=O)c2ccccc2)n1 ZINC000822615022 606169131 /nfs/dbraw/zinc/16/91/31/606169131.db2.gz ZZCFOPAZIWGERS-UHFFFAOYSA-N -1 1 390.429 0.586 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCS(=O)(=O)c2ccccc2)n1 ZINC000822615022 606169133 /nfs/dbraw/zinc/16/91/33/606169133.db2.gz ZZCFOPAZIWGERS-UHFFFAOYSA-N -1 1 390.429 0.586 20 0 GCADMM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)n1 ZINC000822431831 606169839 /nfs/dbraw/zinc/16/98/39/606169839.db2.gz LJORJZLOWVSYNR-GFCCVEGCSA-N -1 1 385.436 0.753 20 0 GCADMM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)n1 ZINC000822431831 606169842 /nfs/dbraw/zinc/16/98/42/606169842.db2.gz LJORJZLOWVSYNR-GFCCVEGCSA-N -1 1 385.436 0.753 20 0 GCADMM Cc1ccc(N2CC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822240815 606170082 /nfs/dbraw/zinc/17/00/82/606170082.db2.gz AEGJFNLAYZICGH-CYBMUJFWSA-N -1 1 381.400 0.836 20 0 GCADMM Cc1ccc(N2CC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822240815 606170083 /nfs/dbraw/zinc/17/00/83/606170083.db2.gz AEGJFNLAYZICGH-CYBMUJFWSA-N -1 1 381.400 0.836 20 0 GCADMM CCOc1ccnc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)n1 ZINC000821437535 606171333 /nfs/dbraw/zinc/17/13/33/606171333.db2.gz PGLQFBSPFHNREF-UHFFFAOYSA-N -1 1 399.419 0.143 20 0 GCADMM CCOc1ccnc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)n1 ZINC000821437535 606171334 /nfs/dbraw/zinc/17/13/34/606171334.db2.gz PGLQFBSPFHNREF-UHFFFAOYSA-N -1 1 399.419 0.143 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000822613278 606173575 /nfs/dbraw/zinc/17/35/75/606173575.db2.gz CNRJIJHKHBGGOR-VIFPVBQESA-N -1 1 377.409 0.731 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000822613278 606173576 /nfs/dbraw/zinc/17/35/76/606173576.db2.gz CNRJIJHKHBGGOR-VIFPVBQESA-N -1 1 377.409 0.731 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCN1CCCC1=O ZINC000822004455 606183484 /nfs/dbraw/zinc/18/34/84/606183484.db2.gz HRGJVEYOFIYYSE-UHFFFAOYSA-N -1 1 387.444 0.645 20 0 GCADMM NC(=O)C1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCC1 ZINC000822850757 606184056 /nfs/dbraw/zinc/18/40/56/606184056.db2.gz PMOMMSNYLBUHTH-UHFFFAOYSA-N -1 1 386.416 0.036 20 0 GCADMM C[C@]1(C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)NC(=O)NC1=O ZINC000820613152 606198581 /nfs/dbraw/zinc/19/85/81/606198581.db2.gz UOWIEXUMOSZKQE-OAHLLOKOSA-N -1 1 376.808 0.730 20 0 GCADMM C[C@]1(C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)NC(=O)NC1=O ZINC000820613152 606198582 /nfs/dbraw/zinc/19/85/82/606198582.db2.gz UOWIEXUMOSZKQE-OAHLLOKOSA-N -1 1 376.808 0.730 20 0 GCADMM O=C([O-])c1ccc(O)c(S(=O)(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823392137 606210247 /nfs/dbraw/zinc/21/02/47/606210247.db2.gz LJZZZCOKTOSZAA-UHFFFAOYSA-N -1 1 375.366 0.749 20 0 GCADMM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822674543 606239671 /nfs/dbraw/zinc/23/96/71/606239671.db2.gz WVFSLOWFAHLQEG-AWEZNQCLSA-N -1 1 393.404 0.502 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000821970149 606285851 /nfs/dbraw/zinc/28/58/51/606285851.db2.gz IZDNRPRRHPJLTL-ZJUUUORDSA-N -1 1 393.473 0.216 20 0 GCADMM NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000822894963 606292916 /nfs/dbraw/zinc/29/29/16/606292916.db2.gz ITKLAKIJULYGBT-UHFFFAOYSA-N -1 1 388.409 0.791 20 0 GCADMM COc1cc(OC)cc(C(=O)NCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821723912 606295407 /nfs/dbraw/zinc/29/54/07/606295407.db2.gz MPVPZTQEIICJJX-UHFFFAOYSA-N -1 1 398.379 0.958 20 0 GCADMM CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000821442925 606296225 /nfs/dbraw/zinc/29/62/25/606296225.db2.gz XKZZVIMNXNXJPF-NSHDSACASA-N -1 1 380.430 0.573 20 0 GCADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000819865431 606297239 /nfs/dbraw/zinc/29/72/39/606297239.db2.gz FLXVHXUVJSPJJE-SECBINFHSA-N -1 1 385.384 0.764 20 0 GCADMM CC(=O)[C@H](C)SCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000819781617 606311660 /nfs/dbraw/zinc/31/16/60/606311660.db2.gz AXALLFSCCRTWOV-JTQLQIEISA-N -1 1 379.446 0.522 20 0 GCADMM CCCNC(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1 ZINC000821118404 606443109 /nfs/dbraw/zinc/44/31/09/606443109.db2.gz MDWHBLGDFRSTKW-UHFFFAOYSA-N -1 1 384.448 0.776 20 0 GCADMM Cc1ccn(-c2ccc(N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)nn2)n1 ZINC000822369953 606443927 /nfs/dbraw/zinc/44/39/27/606443927.db2.gz PTXGVKNWKYYMSS-UHFFFAOYSA-N -1 1 380.420 0.525 20 0 GCADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000821620443 606444715 /nfs/dbraw/zinc/44/47/15/606444715.db2.gz JYERGZLLYZBURZ-GLEZIHRCSA-N -1 1 375.414 0.379 20 0 GCADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821620443 606444717 /nfs/dbraw/zinc/44/47/17/606444717.db2.gz JYERGZLLYZBURZ-GLEZIHRCSA-N -1 1 375.414 0.379 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2SCCc3ccccc32)n(C)c1=O ZINC000822601430 606477935 /nfs/dbraw/zinc/47/79/35/606477935.db2.gz ZOYMZMWQMCUUMU-GFCCVEGCSA-N -1 1 385.453 0.707 20 0 GCADMM CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821139120 606508167 /nfs/dbraw/zinc/50/81/67/606508167.db2.gz OUAWJXNARLQRAQ-UHFFFAOYSA-N -1 1 384.487 0.862 20 0 GCADMM CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821139120 606508169 /nfs/dbraw/zinc/50/81/69/606508169.db2.gz OUAWJXNARLQRAQ-UHFFFAOYSA-N -1 1 384.487 0.862 20 0 GCADMM NC(=O)[C@@H]1CC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)=NN1c1ccccc1 ZINC000822860232 606518788 /nfs/dbraw/zinc/51/87/88/606518788.db2.gz PBAVJNYXEORHCK-HNNXBMFYSA-N -1 1 392.379 0.425 20 0 GCADMM NC(=O)[C@@H]1CC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)=NN1c1ccccc1 ZINC000822860232 606518789 /nfs/dbraw/zinc/51/87/89/606518789.db2.gz PBAVJNYXEORHCK-HNNXBMFYSA-N -1 1 392.379 0.425 20 0 GCADMM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821937062 606527612 /nfs/dbraw/zinc/52/76/12/606527612.db2.gz JCOJDJBGJBKEDU-JTQLQIEISA-N -1 1 384.487 0.862 20 0 GCADMM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821937062 606527614 /nfs/dbraw/zinc/52/76/14/606527614.db2.gz JCOJDJBGJBKEDU-JTQLQIEISA-N -1 1 384.487 0.862 20 0 GCADMM O=C(CNC(=O)c1ccccc1OC(F)F)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823005500 606532704 /nfs/dbraw/zinc/53/27/04/606532704.db2.gz UGZBQKGIVDTVNL-UHFFFAOYSA-N -1 1 378.299 0.560 20 0 GCADMM O=C(CNC(=O)c1ccccc1OC(F)F)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823005500 606532705 /nfs/dbraw/zinc/53/27/05/606532705.db2.gz UGZBQKGIVDTVNL-UHFFFAOYSA-N -1 1 378.299 0.560 20 0 GCADMM CCOC(=O)[C@@H](C)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821315700 606552809 /nfs/dbraw/zinc/55/28/09/606552809.db2.gz VLNMODWHNLSRLR-VIFPVBQESA-N -1 1 376.417 0.832 20 0 GCADMM CC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@@H](CC)CN1C(C)=O ZINC000820989727 606579340 /nfs/dbraw/zinc/57/93/40/606579340.db2.gz ZQCKHUDJYMPQKZ-NEPJUHHUSA-N -1 1 375.437 0.853 20 0 GCADMM CC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@@H](CC)CN1C(C)=O ZINC000820989727 606579341 /nfs/dbraw/zinc/57/93/41/606579341.db2.gz ZQCKHUDJYMPQKZ-NEPJUHHUSA-N -1 1 375.437 0.853 20 0 GCADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000819884208 606583410 /nfs/dbraw/zinc/58/34/10/606583410.db2.gz UGXCMSCXOCRCRX-SECBINFHSA-N -1 1 390.429 0.340 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc(-n2cncn2)cc1 ZINC000823005495 606594943 /nfs/dbraw/zinc/59/49/43/606594943.db2.gz TZPFFFMVJMUYOI-UHFFFAOYSA-N -1 1 395.408 0.877 20 0 GCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc(-n2cncn2)cc1 ZINC000823005495 606594945 /nfs/dbraw/zinc/59/49/45/606594945.db2.gz TZPFFFMVJMUYOI-UHFFFAOYSA-N -1 1 395.408 0.877 20 0 GCADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1OCCO ZINC000821716888 606595949 /nfs/dbraw/zinc/59/59/49/606595949.db2.gz GCGBEHKMQAAQOR-UHFFFAOYSA-N -1 1 388.388 0.302 20 0 GCADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1OCCO ZINC000821716888 606595951 /nfs/dbraw/zinc/59/59/51/606595951.db2.gz GCGBEHKMQAAQOR-UHFFFAOYSA-N -1 1 388.388 0.302 20 0 GCADMM CC(=O)Nc1cccc(OCCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000819827696 606596497 /nfs/dbraw/zinc/59/64/97/606596497.db2.gz USUHSONFOLMQJF-UHFFFAOYSA-N -1 1 385.388 0.759 20 0 GCADMM CC(=O)Nc1cccc(OCCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000819827696 606596499 /nfs/dbraw/zinc/59/64/99/606596499.db2.gz USUHSONFOLMQJF-UHFFFAOYSA-N -1 1 385.388 0.759 20 0 GCADMM COc1ccccc1N1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821898982 606597413 /nfs/dbraw/zinc/59/74/13/606597413.db2.gz VGZMUWAMLRTALQ-UHFFFAOYSA-N -1 1 383.416 0.963 20 0 GCADMM COc1ccccc1N1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821898982 606597415 /nfs/dbraw/zinc/59/74/15/606597415.db2.gz VGZMUWAMLRTALQ-UHFFFAOYSA-N -1 1 383.416 0.963 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000822609261 606597473 /nfs/dbraw/zinc/59/74/73/606597473.db2.gz LLDTUDYKQIVRFJ-UHFFFAOYSA-N -1 1 377.409 0.685 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000822609261 606597474 /nfs/dbraw/zinc/59/74/74/606597474.db2.gz LLDTUDYKQIVRFJ-UHFFFAOYSA-N -1 1 377.409 0.685 20 0 GCADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC000819876032 606603521 /nfs/dbraw/zinc/60/35/21/606603521.db2.gz DDFGIVHFXBEYOD-SECBINFHSA-N -1 1 375.414 0.746 20 0 GCADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(S(C)(=O)=O)cc1 ZINC000819876032 606603523 /nfs/dbraw/zinc/60/35/23/606603523.db2.gz DDFGIVHFXBEYOD-SECBINFHSA-N -1 1 375.414 0.746 20 0 GCADMM Cc1noc(C2CCC(NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000822527719 606612091 /nfs/dbraw/zinc/61/20/91/606612091.db2.gz AVSJMEBNSOKMBU-UHFFFAOYSA-N -1 1 390.429 0.958 20 0 GCADMM Cc1noc(C2CCC(NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000822527719 606612093 /nfs/dbraw/zinc/61/20/93/606612093.db2.gz AVSJMEBNSOKMBU-UHFFFAOYSA-N -1 1 390.429 0.958 20 0 GCADMM CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000819922770 606617718 /nfs/dbraw/zinc/61/77/18/606617718.db2.gz PDQARTDYHLMWEL-JTQLQIEISA-N -1 1 380.430 0.614 20 0 GCADMM CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000819922770 606617720 /nfs/dbraw/zinc/61/77/20/606617720.db2.gz PDQARTDYHLMWEL-JTQLQIEISA-N -1 1 380.430 0.614 20 0 GCADMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823118556 606649122 /nfs/dbraw/zinc/64/91/22/606649122.db2.gz FNGPKOMTLXQJAY-UHFFFAOYSA-N -1 1 379.336 0.421 20 0 GCADMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823118556 606649123 /nfs/dbraw/zinc/64/91/23/606649123.db2.gz FNGPKOMTLXQJAY-UHFFFAOYSA-N -1 1 379.336 0.421 20 0 GCADMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822986785 606650725 /nfs/dbraw/zinc/65/07/25/606650725.db2.gz LFIDLOMGXNGHCA-UHFFFAOYSA-N -1 1 393.363 0.811 20 0 GCADMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822986785 606650726 /nfs/dbraw/zinc/65/07/26/606650726.db2.gz LFIDLOMGXNGHCA-UHFFFAOYSA-N -1 1 393.363 0.811 20 0 GCADMM CCS(=O)(=O)N1CCC[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000821440999 606652535 /nfs/dbraw/zinc/65/25/35/606652535.db2.gz GTCJKTAICLPLLU-GFCCVEGCSA-N -1 1 380.430 0.367 20 0 GCADMM CCS(=O)(=O)N1CCC[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000821440999 606652536 /nfs/dbraw/zinc/65/25/36/606652536.db2.gz GTCJKTAICLPLLU-GFCCVEGCSA-N -1 1 380.430 0.367 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCC(=O)N2CCOc3ccccc32)n1 ZINC000822604753 606684597 /nfs/dbraw/zinc/68/45/97/606684597.db2.gz JUTQVILNTXOPFE-UHFFFAOYSA-N -1 1 382.384 0.745 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCC(=O)N2CCOc3ccccc32)n1 ZINC000822604753 606684598 /nfs/dbraw/zinc/68/45/98/606684598.db2.gz JUTQVILNTXOPFE-UHFFFAOYSA-N -1 1 382.384 0.745 20 0 GCADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)C[C@@H]21 ZINC000821628990 606737760 /nfs/dbraw/zinc/73/77/60/606737760.db2.gz WANMMJVFTPZIMO-NWDGAFQWSA-N -1 1 384.849 0.224 20 0 GCADMM CS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821920184 606738218 /nfs/dbraw/zinc/73/82/18/606738218.db2.gz MXHTVOTXORHMPQ-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM CS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821920184 606738219 /nfs/dbraw/zinc/73/82/19/606738219.db2.gz MXHTVOTXORHMPQ-UHFFFAOYSA-N -1 1 389.434 0.204 20 0 GCADMM Cc1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)[nH]1 ZINC000822435982 606738436 /nfs/dbraw/zinc/73/84/36/606738436.db2.gz DPFFHMVILVOJAX-JTQLQIEISA-N -1 1 375.418 0.257 20 0 GCADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C[C@@H]1C ZINC000821657279 606745091 /nfs/dbraw/zinc/74/50/91/606745091.db2.gz LDRXXQCLBMDFKK-DTWKUNHWSA-N -1 1 385.833 0.950 20 0 GCADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C[C@@H]1C ZINC000821657279 606745092 /nfs/dbraw/zinc/74/50/92/606745092.db2.gz LDRXXQCLBMDFKK-DTWKUNHWSA-N -1 1 385.833 0.950 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000822535256 606752737 /nfs/dbraw/zinc/75/27/37/606752737.db2.gz LFTLQCZFEUWMCS-QWHCGFSZSA-N -1 1 383.412 0.714 20 0 GCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000822535256 606752738 /nfs/dbraw/zinc/75/27/38/606752738.db2.gz LFTLQCZFEUWMCS-QWHCGFSZSA-N -1 1 383.412 0.714 20 0 GCADMM CNS(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)o1 ZINC000821637380 606762721 /nfs/dbraw/zinc/76/27/21/606762721.db2.gz CWNANPZOJSWEEQ-UHFFFAOYSA-N -1 1 378.370 0.428 20 0 GCADMM COc1ncncc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821919844 606773906 /nfs/dbraw/zinc/77/39/06/606773906.db2.gz HBTSJKYHFIWQDK-JTQLQIEISA-N -1 1 397.403 0.198 20 0 GCADMM COc1ncncc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821919844 606773908 /nfs/dbraw/zinc/77/39/08/606773908.db2.gz HBTSJKYHFIWQDK-JTQLQIEISA-N -1 1 397.403 0.198 20 0 GCADMM CO[C@@H](C)c1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000821675529 606778366 /nfs/dbraw/zinc/77/83/66/606778366.db2.gz NPTBBKCQTYIWPC-QWRGUYRKSA-N -1 1 386.420 0.458 20 0 GCADMM CO[C@@H](C)c1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000821675529 606778367 /nfs/dbraw/zinc/77/83/67/606778367.db2.gz NPTBBKCQTYIWPC-QWRGUYRKSA-N -1 1 386.420 0.458 20 0 GCADMM CC1CCN(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000820715429 606779380 /nfs/dbraw/zinc/77/93/80/606779380.db2.gz BAVZVILOQGEKEE-AWEZNQCLSA-N -1 1 385.476 0.426 20 0 GCADMM CC1CCN(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000820715429 606779382 /nfs/dbraw/zinc/77/93/82/606779382.db2.gz BAVZVILOQGEKEE-AWEZNQCLSA-N -1 1 385.476 0.426 20 0 GCADMM CCCCCCNC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821056714 606781145 /nfs/dbraw/zinc/78/11/45/606781145.db2.gz WWRVFWNPEUDXHA-CQSZACIVSA-N -1 1 387.492 0.864 20 0 GCADMM CCCCCCNC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821056714 606781146 /nfs/dbraw/zinc/78/11/46/606781146.db2.gz WWRVFWNPEUDXHA-CQSZACIVSA-N -1 1 387.492 0.864 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCn1cccn1 ZINC000820788960 606788837 /nfs/dbraw/zinc/78/88/37/606788837.db2.gz SCXFVSFKCJPENE-ZDUSSCGKSA-N -1 1 397.447 0.164 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCn1cccn1 ZINC000820788960 606788840 /nfs/dbraw/zinc/78/88/40/606788840.db2.gz SCXFVSFKCJPENE-ZDUSSCGKSA-N -1 1 397.447 0.164 20 0 GCADMM CC[C@@H](COC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820909113 606792460 /nfs/dbraw/zinc/79/24/60/606792460.db2.gz UABZCRJFKRCVCL-NEPJUHHUSA-N -1 1 375.437 0.302 20 0 GCADMM CC[C@@H](COC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820909113 606792462 /nfs/dbraw/zinc/79/24/62/606792462.db2.gz UABZCRJFKRCVCL-NEPJUHHUSA-N -1 1 375.437 0.302 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@]1(C)CCCO1 ZINC000820788765 606795193 /nfs/dbraw/zinc/79/51/93/606795193.db2.gz NQYBGMJICKIVRP-PXAZEXFGSA-N -1 1 387.448 0.446 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@]1(C)CCCO1 ZINC000820788765 606795194 /nfs/dbraw/zinc/79/51/94/606795194.db2.gz NQYBGMJICKIVRP-PXAZEXFGSA-N -1 1 387.448 0.446 20 0 GCADMM CO[C@@H](CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000821676658 606796325 /nfs/dbraw/zinc/79/63/25/606796325.db2.gz DCGFCXNAMQDCMF-STQMWFEESA-N -1 1 389.464 0.548 20 0 GCADMM CO[C@@H](CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000821676658 606796327 /nfs/dbraw/zinc/79/63/27/606796327.db2.gz DCGFCXNAMQDCMF-STQMWFEESA-N -1 1 389.464 0.548 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1cc(-n2ccnc2)ncn1 ZINC000820804238 606807246 /nfs/dbraw/zinc/80/72/46/606807246.db2.gz OWCLSPYDOGFTCV-GFCCVEGCSA-N -1 1 390.415 0.348 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1cc(-n2ccnc2)ncn1 ZINC000820804238 606807249 /nfs/dbraw/zinc/80/72/49/606807249.db2.gz OWCLSPYDOGFTCV-GFCCVEGCSA-N -1 1 390.415 0.348 20 0 GCADMM CCn1cnc2c1ncnc2N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821566909 606807318 /nfs/dbraw/zinc/80/73/18/606807318.db2.gz ZTACIVMANILMQQ-NSHDSACASA-N -1 1 392.431 0.531 20 0 GCADMM CCn1cnc2c1ncnc2N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821566909 606807319 /nfs/dbraw/zinc/80/73/19/606807319.db2.gz ZTACIVMANILMQQ-NSHDSACASA-N -1 1 392.431 0.531 20 0 GCADMM Cc1cn2nc(N3CCN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C)sc2n1 ZINC000822389444 606807916 /nfs/dbraw/zinc/80/79/16/606807916.db2.gz WNAUOZKJAQWZMG-JTQLQIEISA-N -1 1 383.445 0.784 20 0 GCADMM Cc1cn2nc(N3CCN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C)sc2n1 ZINC000822389444 606807917 /nfs/dbraw/zinc/80/79/17/606807917.db2.gz WNAUOZKJAQWZMG-JTQLQIEISA-N -1 1 383.445 0.784 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820550549 606817906 /nfs/dbraw/zinc/81/79/06/606817906.db2.gz WSAXZSRDDRJUJK-CHWSQXEVSA-N -1 1 395.427 0.556 20 0 GCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820550549 606817908 /nfs/dbraw/zinc/81/79/08/606817908.db2.gz WSAXZSRDDRJUJK-CHWSQXEVSA-N -1 1 395.427 0.556 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnn2ccccc12 ZINC000820788520 606818204 /nfs/dbraw/zinc/81/82/04/606818204.db2.gz JEIYHCCYPNPBFX-LBPRGKRZSA-N -1 1 390.411 0.655 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnn2ccccc12 ZINC000820788520 606818205 /nfs/dbraw/zinc/81/82/05/606818205.db2.gz JEIYHCCYPNPBFX-LBPRGKRZSA-N -1 1 390.411 0.655 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H](O)C(C)(C)C ZINC000822459541 606819196 /nfs/dbraw/zinc/81/91/96/606819196.db2.gz REBJAZBKARFGIZ-CQSZACIVSA-N -1 1 386.460 0.982 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H](O)C(C)(C)C ZINC000822459541 606819197 /nfs/dbraw/zinc/81/91/97/606819197.db2.gz REBJAZBKARFGIZ-CQSZACIVSA-N -1 1 386.460 0.982 20 0 GCADMM CCc1nc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000821504971 606820509 /nfs/dbraw/zinc/82/05/09/606820509.db2.gz MRMZFPRKPTYILF-LLVKDONJSA-N -1 1 399.484 0.955 20 0 GCADMM CCc1nc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000821504971 606820511 /nfs/dbraw/zinc/82/05/11/606820511.db2.gz MRMZFPRKPTYILF-LLVKDONJSA-N -1 1 399.484 0.955 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000820788314 606821811 /nfs/dbraw/zinc/82/18/11/606821811.db2.gz DBQBLJVBZDGPAV-SNVBAGLBSA-N -1 1 380.416 0.608 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000820788314 606821812 /nfs/dbraw/zinc/82/18/12/606821812.db2.gz DBQBLJVBZDGPAV-SNVBAGLBSA-N -1 1 380.416 0.608 20 0 GCADMM Cc1nc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000822436430 606822374 /nfs/dbraw/zinc/82/23/74/606822374.db2.gz MBYNNMZWLWNPNG-JTQLQIEISA-N -1 1 385.457 0.701 20 0 GCADMM Cc1nc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000822436430 606822375 /nfs/dbraw/zinc/82/23/75/606822375.db2.gz MBYNNMZWLWNPNG-JTQLQIEISA-N -1 1 385.457 0.701 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1COc2ccccc21 ZINC000820776364 606823012 /nfs/dbraw/zinc/82/30/12/606823012.db2.gz LSJCWFCEPXRGSU-JSGCOSHPSA-N -1 1 392.423 0.870 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1COc2ccccc21 ZINC000820776364 606823013 /nfs/dbraw/zinc/82/30/13/606823013.db2.gz LSJCWFCEPXRGSU-JSGCOSHPSA-N -1 1 392.423 0.870 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1COc2ccccc21 ZINC000820776359 606823077 /nfs/dbraw/zinc/82/30/77/606823077.db2.gz LSJCWFCEPXRGSU-GXTWGEPZSA-N -1 1 392.423 0.870 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1COc2ccccc21 ZINC000820776359 606823079 /nfs/dbraw/zinc/82/30/79/606823079.db2.gz LSJCWFCEPXRGSU-GXTWGEPZSA-N -1 1 392.423 0.870 20 0 GCADMM CC(C)N(C)C(=O)C1CCN(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC000820111600 606824661 /nfs/dbraw/zinc/82/46/61/606824661.db2.gz BPYPFLLCSZBSQJ-UHFFFAOYSA-N -1 1 387.444 0.134 20 0 GCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000823122701 606825713 /nfs/dbraw/zinc/82/57/13/606825713.db2.gz GMEZGPDMTSLMDU-UHFFFAOYSA-N -1 1 393.407 0.237 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1nccn2ccnc12 ZINC000820789103 606829977 /nfs/dbraw/zinc/82/99/77/606829977.db2.gz VOSMDZOSHQARBR-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1nccn2ccnc12 ZINC000820789103 606829978 /nfs/dbraw/zinc/82/99/78/606829978.db2.gz VOSMDZOSHQARBR-LLVKDONJSA-N -1 1 391.399 0.050 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc(C=O)c1 ZINC000820788415 606829980 /nfs/dbraw/zinc/82/99/80/606829980.db2.gz GQPSHEWRCPHPFF-JTQLQIEISA-N -1 1 384.425 0.882 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc(C=O)c1 ZINC000820788415 606829981 /nfs/dbraw/zinc/82/99/81/606829981.db2.gz GQPSHEWRCPHPFF-JTQLQIEISA-N -1 1 384.425 0.882 20 0 GCADMM Cc1cc(C)n([C@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822197793 606830255 /nfs/dbraw/zinc/83/02/55/606830255.db2.gz PINSZOCPNLDALP-ZIAGYGMSSA-N -1 1 396.459 0.768 20 0 GCADMM Cc1cc(C)n([C@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822197793 606830257 /nfs/dbraw/zinc/83/02/57/606830257.db2.gz PINSZOCPNLDALP-ZIAGYGMSSA-N -1 1 396.459 0.768 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2nncn2c1 ZINC000820788498 606831552 /nfs/dbraw/zinc/83/15/52/606831552.db2.gz ILTZLQLFJZEILE-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2nncn2c1 ZINC000820788498 606831554 /nfs/dbraw/zinc/83/15/54/606831554.db2.gz ILTZLQLFJZEILE-NSHDSACASA-N -1 1 391.399 0.050 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CC12CCOCC2 ZINC000820775947 606831556 /nfs/dbraw/zinc/83/15/56/606831556.db2.gz KKUPOESCPHTXBA-QWHCGFSZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CC12CCOCC2 ZINC000820775947 606831557 /nfs/dbraw/zinc/83/15/57/606831557.db2.gz KKUPOESCPHTXBA-QWHCGFSZSA-N -1 1 384.444 0.511 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2[nH]ncc21 ZINC000820788827 606831666 /nfs/dbraw/zinc/83/16/66/606831666.db2.gz PBSFQNDCHUAEKE-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2[nH]ncc21 ZINC000820788827 606831668 /nfs/dbraw/zinc/83/16/68/606831668.db2.gz PBSFQNDCHUAEKE-LLVKDONJSA-N -1 1 390.411 0.884 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823601223 606847322 /nfs/dbraw/zinc/84/73/22/606847322.db2.gz WZRUEWILXKCNFT-KGLIPLIRSA-N -1 1 383.405 0.574 20 0 GCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823601225 606847569 /nfs/dbraw/zinc/84/75/69/606847569.db2.gz WZRUEWILXKCNFT-ZIAGYGMSSA-N -1 1 383.405 0.574 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)CCC(C)(C)C ZINC000820804697 606847854 /nfs/dbraw/zinc/84/78/54/606847854.db2.gz XRYMDFUUJXVMJO-GFCCVEGCSA-N -1 1 394.505 0.933 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)CCC(C)(C)C ZINC000820804697 606847856 /nfs/dbraw/zinc/84/78/56/606847856.db2.gz XRYMDFUUJXVMJO-GFCCVEGCSA-N -1 1 394.505 0.933 20 0 GCADMM CCC[C@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821016416 606848698 /nfs/dbraw/zinc/84/86/98/606848698.db2.gz WKTZBMCWXWMWII-QWHCGFSZSA-N -1 1 394.505 0.933 20 0 GCADMM CCC[C@H](C)CS(=O)(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821016416 606848699 /nfs/dbraw/zinc/84/86/99/606848699.db2.gz WKTZBMCWXWMWII-QWHCGFSZSA-N -1 1 394.505 0.933 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(N(C)C)ccn1 ZINC000820788469 606854840 /nfs/dbraw/zinc/85/48/40/606854840.db2.gz HUAXNZGPSWVVPC-GFCCVEGCSA-N -1 1 394.443 0.469 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(N(C)C)ccn1 ZINC000820788469 606854841 /nfs/dbraw/zinc/85/48/41/606854841.db2.gz HUAXNZGPSWVVPC-GFCCVEGCSA-N -1 1 394.443 0.469 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1-c1nn[n-]n1 ZINC000821970223 606855596 /nfs/dbraw/zinc/85/55/96/606855596.db2.gz LVFNBQSVDJYHOT-NWDGAFQWSA-N -1 1 392.441 0.709 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1O ZINC000821858568 606855630 /nfs/dbraw/zinc/85/56/30/606855630.db2.gz GRNYVXGFZIIBDG-LLVKDONJSA-N -1 1 396.411 0.722 20 0 GCADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1O ZINC000821858568 606855632 /nfs/dbraw/zinc/85/56/32/606855632.db2.gz GRNYVXGFZIIBDG-LLVKDONJSA-N -1 1 396.411 0.722 20 0 GCADMM CCc1onc(C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821564260 606855816 /nfs/dbraw/zinc/85/58/16/606855816.db2.gz ZQSBFOAIERIJJT-SNVBAGLBSA-N -1 1 383.416 0.866 20 0 GCADMM CCc1onc(C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821564260 606855817 /nfs/dbraw/zinc/85/58/17/606855817.db2.gz ZQSBFOAIERIJJT-SNVBAGLBSA-N -1 1 383.416 0.866 20 0 GCADMM CCOC(=O)[C@@H](C)N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821314793 606857056 /nfs/dbraw/zinc/85/70/56/606857056.db2.gz NNAZOXZCALEHJP-LLVKDONJSA-N -1 1 376.417 0.927 20 0 GCADMM O=S(=O)(NCc1cnn(CC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578413 606876990 /nfs/dbraw/zinc/87/69/90/606876990.db2.gz PHYWIUFCIGTFHA-UHFFFAOYSA-N -1 1 388.335 0.499 20 0 GCADMM O=S(=O)(NCc1cnn(CC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578413 606876992 /nfs/dbraw/zinc/87/69/92/606876992.db2.gz PHYWIUFCIGTFHA-UHFFFAOYSA-N -1 1 388.335 0.499 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](O)c2cc3ccccc3s2)n(C)c1=O ZINC000822601241 606878085 /nfs/dbraw/zinc/87/80/85/606878085.db2.gz VUWRLMWZRYPRPZ-JTQLQIEISA-N -1 1 399.436 0.624 20 0 GCADMM O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)CCN12 ZINC000823551344 606878812 /nfs/dbraw/zinc/87/88/12/606878812.db2.gz NKWLJPJTRJMTHC-VIFPVBQESA-N -1 1 384.805 0.345 20 0 GCADMM CN(Cc1nc(-c2ccccc2)c[nH]1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821616694 606880284 /nfs/dbraw/zinc/88/02/84/606880284.db2.gz CHRSAELJJVTCHZ-UHFFFAOYSA-N -1 1 393.411 0.291 20 0 GCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2cccs2)CC1 ZINC000823600208 606896916 /nfs/dbraw/zinc/89/69/16/606896916.db2.gz DKSUOIJWZKMGJL-UHFFFAOYSA-N -1 1 377.455 0.834 20 0 GCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2cccs2)CC1 ZINC000823600208 606896917 /nfs/dbraw/zinc/89/69/17/606896917.db2.gz DKSUOIJWZKMGJL-UHFFFAOYSA-N -1 1 377.455 0.834 20 0 GCADMM CCOC(=O)[C@@H](C)N(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821313148 606913993 /nfs/dbraw/zinc/91/39/93/606913993.db2.gz BCJIQRRALRUPKR-GFCCVEGCSA-N -1 1 398.427 0.874 20 0 GCADMM CCOC(=O)[C@@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000821313148 606913994 /nfs/dbraw/zinc/91/39/94/606913994.db2.gz BCJIQRRALRUPKR-GFCCVEGCSA-N -1 1 398.427 0.874 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)OC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822542083 606935544 /nfs/dbraw/zinc/93/55/44/606935544.db2.gz URQMNFFKDKLBOJ-ONGXEEELSA-N -1 1 375.389 0.540 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000822004446 606985765 /nfs/dbraw/zinc/98/57/65/606985765.db2.gz HMHVTRNQBBGHRS-GFCCVEGCSA-N -1 1 382.428 0.914 20 0 GCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(F)c(-c3nn[nH]n3)c2)o1 ZINC000821637519 606994905 /nfs/dbraw/zinc/99/49/05/606994905.db2.gz JLVWFVFTTPIRMH-UHFFFAOYSA-N -1 1 381.345 0.864 20 0 GCADMM COc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000821727739 607005858 /nfs/dbraw/zinc/00/58/58/607005858.db2.gz NSFPTRKOCWLGPB-UHFFFAOYSA-N -1 1 391.388 0.551 20 0 GCADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820956687 607032927 /nfs/dbraw/zinc/03/29/27/607032927.db2.gz JVIFYHFCPRUNRJ-QWRGUYRKSA-N -1 1 377.449 0.294 20 0 GCADMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820236059 607041467 /nfs/dbraw/zinc/04/14/67/607041467.db2.gz WNKNSSZQCQVLHK-CABZTGNLSA-N -1 1 389.391 0.327 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820788756 607062344 /nfs/dbraw/zinc/06/23/44/607062344.db2.gz NNTYNFYLHWTRAL-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM CC(C)n1nccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820788756 607062345 /nfs/dbraw/zinc/06/23/45/607062345.db2.gz NNTYNFYLHWTRAL-LBPRGKRZSA-N -1 1 382.432 0.785 20 0 GCADMM Cc1cc(NC(=O)CSCC(=O)Nc2ncc(-c3nnn[n-]3)s2)no1 ZINC000822208215 607104674 /nfs/dbraw/zinc/10/46/74/607104674.db2.gz HCGHXINEBINJRR-UHFFFAOYSA-N -1 1 380.415 0.930 20 0 GCADMM Cc1cc(NC(=O)CSCC(=O)Nc2ncc(-c3nn[n-]n3)s2)no1 ZINC000822208215 607104675 /nfs/dbraw/zinc/10/46/75/607104675.db2.gz HCGHXINEBINJRR-UHFFFAOYSA-N -1 1 380.415 0.930 20 0 GCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000823379678 607105477 /nfs/dbraw/zinc/10/54/77/607105477.db2.gz DDCPYRWLRDGYBJ-UHFFFAOYSA-N -1 1 397.428 0.616 20 0 GCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000823379678 607105479 /nfs/dbraw/zinc/10/54/79/607105479.db2.gz DDCPYRWLRDGYBJ-UHFFFAOYSA-N -1 1 397.428 0.616 20 0 GCADMM C[C@@]1(c2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000820628642 607106348 /nfs/dbraw/zinc/10/63/48/607106348.db2.gz KFFIFKGSYRIOLH-HNNXBMFYSA-N -1 1 384.381 0.630 20 0 GCADMM C[C@@]1(c2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000820628642 607106350 /nfs/dbraw/zinc/10/63/50/607106350.db2.gz KFFIFKGSYRIOLH-HNNXBMFYSA-N -1 1 384.381 0.630 20 0 GCADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822992838 607108575 /nfs/dbraw/zinc/10/85/75/607108575.db2.gz NTSPRJPTWLLRAH-UHFFFAOYSA-N -1 1 376.402 0.516 20 0 GCADMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822992838 607108577 /nfs/dbraw/zinc/10/85/77/607108577.db2.gz NTSPRJPTWLLRAH-UHFFFAOYSA-N -1 1 376.402 0.516 20 0 GCADMM C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H](c2ccsc2)O1 ZINC000820766693 607116090 /nfs/dbraw/zinc/11/60/90/607116090.db2.gz CJACVXIRHKLLPA-GXSJLCMTSA-N -1 1 389.441 0.292 20 0 GCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1-n1cccn1 ZINC000820450237 607118090 /nfs/dbraw/zinc/11/80/90/607118090.db2.gz IDHUPRBVEZEVQW-LLVKDONJSA-N -1 1 393.411 0.623 20 0 GCADMM CS/C=C\C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000821956635 607120276 /nfs/dbraw/zinc/12/02/76/607120276.db2.gz UENFUNHHRTVIMW-BAQGIRSFSA-N -1 1 393.429 0.232 20 0 GCADMM O=C(CCc1nc[nH]n1)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822987211 607131018 /nfs/dbraw/zinc/13/10/18/607131018.db2.gz SVZIHDDMVWSOLV-UHFFFAOYSA-N -1 1 382.793 0.076 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC(C)(O)CC1 ZINC000822459776 607137108 /nfs/dbraw/zinc/13/71/08/607137108.db2.gz VYFROFIMACRJAV-UHFFFAOYSA-N -1 1 384.444 0.832 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC(C)(O)CC1 ZINC000822459776 607137110 /nfs/dbraw/zinc/13/71/10/607137110.db2.gz VYFROFIMACRJAV-UHFFFAOYSA-N -1 1 384.444 0.832 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCS[C@@H]2COCC[C@H]21 ZINC000823605814 607146360 /nfs/dbraw/zinc/14/63/60/607146360.db2.gz BIGBSUMQUPXIBG-VXGBXAGGSA-N -1 1 385.446 0.901 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCS[C@H]2COCC[C@H]21 ZINC000823607419 607146510 /nfs/dbraw/zinc/14/65/10/607146510.db2.gz UYSHMVWHBGDFPV-MNOVXSKESA-N -1 1 385.446 0.901 20 0 GCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCS[C@H]2COCC[C@H]21 ZINC000823607419 607146511 /nfs/dbraw/zinc/14/65/11/607146511.db2.gz UYSHMVWHBGDFPV-MNOVXSKESA-N -1 1 385.446 0.901 20 0 GCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCS[C@H]2COCC[C@@H]21 ZINC000823605809 607146562 /nfs/dbraw/zinc/14/65/62/607146562.db2.gz BIGBSUMQUPXIBG-RYUDHWBXSA-N -1 1 385.446 0.901 20 0 GCADMM Cn1cc(C(=O)Nc2ccc(OC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)cn1 ZINC000822669716 607157619 /nfs/dbraw/zinc/15/76/19/607157619.db2.gz MQPLNURLCDZAIK-UHFFFAOYSA-N -1 1 394.355 0.050 20 0 GCADMM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)n1ncc(-c3nn[n-]n3)c1N)C2=O ZINC000820595386 607193969 /nfs/dbraw/zinc/19/39/69/607193969.db2.gz HZIWZKWJBBIANS-MRXNPFEDSA-N -1 1 387.404 0.176 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(-n3ccnn3)c2)c1-c1nnn[n-]1 ZINC000822907297 607204697 /nfs/dbraw/zinc/20/46/97/607204697.db2.gz GKVVNBHKQXIYNM-UHFFFAOYSA-N -1 1 394.403 0.507 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(-n3ccnn3)c2)c1-c1nn[n-]n1 ZINC000822907297 607204698 /nfs/dbraw/zinc/20/46/98/607204698.db2.gz GKVVNBHKQXIYNM-UHFFFAOYSA-N -1 1 394.403 0.507 20 0 GCADMM Cc1cccc(C(=O)N2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000822284774 607206705 /nfs/dbraw/zinc/20/67/05/607206705.db2.gz ZOPGTJOPJLJRQH-UHFFFAOYSA-N -1 1 395.427 0.141 20 0 GCADMM Cc1c([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cnn1-c1ccc(F)cc1 ZINC000822020369 607207272 /nfs/dbraw/zinc/20/72/72/607207272.db2.gz ARWHOSQLZNBQJH-JTQLQIEISA-N -1 1 396.390 0.969 20 0 GCADMM CCCNC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC000821118803 607209676 /nfs/dbraw/zinc/20/96/76/607209676.db2.gz RJIMKTAMJGUSOB-UHFFFAOYSA-N -1 1 389.807 0.890 20 0 GCADMM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000822154807 607210784 /nfs/dbraw/zinc/21/07/84/607210784.db2.gz ZVGJWGJXDNRYFX-UHFFFAOYSA-N -1 1 378.356 0.156 20 0 GCADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819939505 607211115 /nfs/dbraw/zinc/21/11/15/607211115.db2.gz FCZYWLDOPPJBMB-NSHDSACASA-N -1 1 391.436 0.222 20 0 GCADMM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000819939504 607211130 /nfs/dbraw/zinc/21/11/30/607211130.db2.gz FCZYWLDOPPJBMB-LLVKDONJSA-N -1 1 391.436 0.222 20 0 GCADMM CC(C)(C)OC(=O)NCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000819939830 607211828 /nfs/dbraw/zinc/21/18/28/607211828.db2.gz KNMGCXMNOAYJLS-UHFFFAOYSA-N -1 1 391.436 0.222 20 0 GCADMM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821056618 607212001 /nfs/dbraw/zinc/21/20/01/607212001.db2.gz UOUYSVDJEZQOGV-CYBMUJFWSA-N -1 1 389.464 0.393 20 0 GCADMM CC(C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2ccncc2)no1 ZINC000820028242 607212333 /nfs/dbraw/zinc/21/23/33/607212333.db2.gz XIRZQJXGIDVAQE-GFCCVEGCSA-N -1 1 395.387 0.417 20 0 GCADMM COc1ccccc1N1CC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821898964 607212839 /nfs/dbraw/zinc/21/28/39/607212839.db2.gz VBYJZWBOHZLNTG-LBPRGKRZSA-N -1 1 383.416 0.110 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000823131690 607213215 /nfs/dbraw/zinc/21/32/15/607213215.db2.gz LZUFBICZWMLYIF-UHFFFAOYSA-N -1 1 377.372 0.759 20 0 GCADMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000819945895 607213251 /nfs/dbraw/zinc/21/32/51/607213251.db2.gz HYMOEXKVFHVQTJ-UHFFFAOYSA-N -1 1 386.376 0.839 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000823364004 607213348 /nfs/dbraw/zinc/21/33/48/607213348.db2.gz VYKLYGOMMKDEEU-UHFFFAOYSA-N -1 1 399.390 0.475 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000823126281 607213807 /nfs/dbraw/zinc/21/38/07/607213807.db2.gz HCAPROKXORDQKE-GFCCVEGCSA-N -1 1 392.782 0.851 20 0 GCADMM COc1ccc(Cn2nccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821828023 607214606 /nfs/dbraw/zinc/21/46/06/607214606.db2.gz NSFRWYISIOALQI-UHFFFAOYSA-N -1 1 380.372 0.350 20 0 GCADMM CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820887775 607216058 /nfs/dbraw/zinc/21/60/58/607216058.db2.gz QHCLPGUPPIGLBZ-UHFFFAOYSA-N -1 1 393.452 0.658 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1)CC1CCOCC1 ZINC000823123112 607216347 /nfs/dbraw/zinc/21/63/47/607216347.db2.gz OJUUTEMWPXQLBJ-UHFFFAOYSA-N -1 1 382.428 0.914 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000823431287 607216401 /nfs/dbraw/zinc/21/64/01/607216401.db2.gz PFEYAGDRWMHBRB-ZDUSSCGKSA-N -1 1 382.384 0.193 20 0 GCADMM CC(=O)N(Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1)C1CC1 ZINC000819789771 607217948 /nfs/dbraw/zinc/21/79/48/607217948.db2.gz XKPXSFQHGJDFLH-UHFFFAOYSA-N -1 1 381.400 0.608 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823126604 607219218 /nfs/dbraw/zinc/21/92/18/607219218.db2.gz KBWOUDKJXUFGJY-LLVKDONJSA-N -1 1 387.791 0.033 20 0 GCADMM CC[C@@H]1Oc2cc([C@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc2NC1=O ZINC000821000590 607220865 /nfs/dbraw/zinc/22/08/65/607220865.db2.gz GYRAWQMFTGUYGQ-CABZTGNLSA-N -1 1 397.399 0.445 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823122610 607221898 /nfs/dbraw/zinc/22/18/98/607221898.db2.gz FNPYLXMDLLMFEX-ZDUSSCGKSA-N -1 1 376.421 0.035 20 0 GCADMM C[C@@H](Cc1ccccc1Br)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820300353 607223357 /nfs/dbraw/zinc/22/33/57/607223357.db2.gz QFQMLHDIFAZOER-VIFPVBQESA-N -1 1 391.233 0.968 20 0 GCADMM CCS[C@@H](C)c1noc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000821448196 607224213 /nfs/dbraw/zinc/22/42/13/607224213.db2.gz MAAINAUFWWDQQR-QMMMGPOBSA-N -1 1 378.422 0.314 20 0 GCADMM COC(=O)C(C)(C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821637471 607224465 /nfs/dbraw/zinc/22/44/65/607224465.db2.gz HFCOOTGJKUVXGJ-ZDUSSCGKSA-N -1 1 384.400 0.515 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000823127256 607224681 /nfs/dbraw/zinc/22/46/81/607224681.db2.gz XWASSKOHQPWHPU-UHFFFAOYSA-N -1 1 387.835 0.456 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ncccc1F ZINC000824999583 607782357 /nfs/dbraw/zinc/78/23/57/607782357.db2.gz IFGKIWFELVXXMM-LLVKDONJSA-N -1 1 398.406 0.611 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ncccc1F ZINC000824999583 607782358 /nfs/dbraw/zinc/78/23/58/607782358.db2.gz IFGKIWFELVXXMM-LLVKDONJSA-N -1 1 398.406 0.611 20 0 GCADMM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825424390 607811955 /nfs/dbraw/zinc/81/19/55/607811955.db2.gz FBGVYUJCKMDMPT-UHFFFAOYSA-N -1 1 377.423 0.061 20 0 GCADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000824426820 607819118 /nfs/dbraw/zinc/81/91/18/607819118.db2.gz JAZGCHNGOAUNEJ-ZETCQYMHSA-N -1 1 379.851 0.232 20 0 GCADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000824426820 607819119 /nfs/dbraw/zinc/81/91/19/607819119.db2.gz JAZGCHNGOAUNEJ-ZETCQYMHSA-N -1 1 379.851 0.232 20 0 GCADMM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000823972588 607852443 /nfs/dbraw/zinc/85/24/43/607852443.db2.gz CSPURZRTFHLESX-LLVKDONJSA-N -1 1 382.421 0.495 20 0 GCADMM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000823972588 607852444 /nfs/dbraw/zinc/85/24/44/607852444.db2.gz CSPURZRTFHLESX-LLVKDONJSA-N -1 1 382.421 0.495 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)[C@@H]2C1 ZINC000826145854 607852847 /nfs/dbraw/zinc/85/28/47/607852847.db2.gz MYGSTARSUGNHOH-LERXQTSPSA-N -1 1 380.430 0.219 20 0 GCADMM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)[C@@H]2C1 ZINC000826145854 607852848 /nfs/dbraw/zinc/85/28/48/607852848.db2.gz MYGSTARSUGNHOH-LERXQTSPSA-N -1 1 380.430 0.219 20 0 GCADMM CNC(=O)c1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cn1C ZINC000826068350 607868439 /nfs/dbraw/zinc/86/84/39/607868439.db2.gz RHXHZDVHSZBOFY-UHFFFAOYSA-N -1 1 380.361 0.472 20 0 GCADMM CNC(=O)c1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cn1C ZINC000826068350 607868440 /nfs/dbraw/zinc/86/84/40/607868440.db2.gz RHXHZDVHSZBOFY-UHFFFAOYSA-N -1 1 380.361 0.472 20 0 GCADMM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826482054 607876736 /nfs/dbraw/zinc/87/67/36/607876736.db2.gz QLTUKJDJZGSBHY-SNVBAGLBSA-N -1 1 384.377 0.898 20 0 GCADMM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826482054 607876737 /nfs/dbraw/zinc/87/67/37/607876737.db2.gz QLTUKJDJZGSBHY-SNVBAGLBSA-N -1 1 384.377 0.898 20 0 GCADMM Cc1nc2c(cnn2C)c(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC000826326902 607899268 /nfs/dbraw/zinc/89/92/68/607899268.db2.gz KALCOCIAOIDYCT-UHFFFAOYSA-N -1 1 377.416 0.573 20 0 GCADMM Cc1nc2c(cnn2C)c(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC000826326902 607899269 /nfs/dbraw/zinc/89/92/69/607899269.db2.gz KALCOCIAOIDYCT-UHFFFAOYSA-N -1 1 377.416 0.573 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825210464 607906965 /nfs/dbraw/zinc/90/69/65/607906965.db2.gz HGGPFDVOZHHEBG-DGCLKSJQSA-N -1 1 396.448 0.931 20 0 GCADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825210464 607906966 /nfs/dbraw/zinc/90/69/66/607906966.db2.gz HGGPFDVOZHHEBG-DGCLKSJQSA-N -1 1 396.448 0.931 20 0 GCADMM CC(=O)N1CC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c2ccccc21 ZINC000823974221 607937363 /nfs/dbraw/zinc/93/73/63/607937363.db2.gz ONDQRFXBXUZAFQ-GFCCVEGCSA-N -1 1 396.411 0.174 20 0 GCADMM COC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826138005 607937585 /nfs/dbraw/zinc/93/75/85/607937585.db2.gz BSJLUCTVHWVESU-UHFFFAOYSA-N -1 1 379.320 0.679 20 0 GCADMM Cn1cc([C@H](CO)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826358989 607938479 /nfs/dbraw/zinc/93/84/79/607938479.db2.gz QTEKIPQBGMJHOD-JTQLQIEISA-N -1 1 383.821 0.266 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cn[nH]c1 ZINC000824492065 607940571 /nfs/dbraw/zinc/94/05/71/607940571.db2.gz XLUAVSLJJYSMTB-GHMZBOCLSA-N -1 1 383.420 0.361 20 0 GCADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cn[nH]c1 ZINC000824492065 607940572 /nfs/dbraw/zinc/94/05/72/607940572.db2.gz XLUAVSLJJYSMTB-GHMZBOCLSA-N -1 1 383.420 0.361 20 0 GCADMM C[C@@H](Oc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1)C(N)=O ZINC000824745372 607973794 /nfs/dbraw/zinc/97/37/94/607973794.db2.gz RFVWAIOTIIJMTK-SECBINFHSA-N -1 1 390.381 0.282 20 0 GCADMM C[C@@H](Oc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1)C(N)=O ZINC000824745372 607973795 /nfs/dbraw/zinc/97/37/95/607973795.db2.gz RFVWAIOTIIJMTK-SECBINFHSA-N -1 1 390.381 0.282 20 0 GCADMM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825663374 607974845 /nfs/dbraw/zinc/97/48/45/607974845.db2.gz MMPJRNVSSWQYRN-UHFFFAOYSA-N -1 1 377.423 0.061 20 0 GCADMM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825663028 607974938 /nfs/dbraw/zinc/97/49/38/607974938.db2.gz GUULNJNYFXJYCU-UHFFFAOYSA-N -1 1 393.878 0.575 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)c2ccc(Cl)cc2Cl)c1=O ZINC000826356185 607982059 /nfs/dbraw/zinc/98/20/59/607982059.db2.gz FQOBBVZRIJYUNQ-LLVKDONJSA-N -1 1 383.195 0.768 20 0 GCADMM O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826495630 607988178 /nfs/dbraw/zinc/98/81/78/607988178.db2.gz VHRWMIZFGZHPRO-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826495630 607988179 /nfs/dbraw/zinc/98/81/79/607988179.db2.gz VHRWMIZFGZHPRO-UHFFFAOYSA-N -1 1 390.404 0.307 20 0 GCADMM O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826473973 607988700 /nfs/dbraw/zinc/98/87/00/607988700.db2.gz VTFPTKKIDIGCCF-UHFFFAOYSA-N -1 1 380.368 0.348 20 0 GCADMM O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826473973 607988701 /nfs/dbraw/zinc/98/87/01/607988701.db2.gz VTFPTKKIDIGCCF-UHFFFAOYSA-N -1 1 380.368 0.348 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1cn(C)nn1 ZINC000826328132 607994449 /nfs/dbraw/zinc/99/44/49/607994449.db2.gz HCKWWSDFRCUYNJ-UHFFFAOYSA-N -1 1 382.388 0.331 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1cn(C)nn1 ZINC000826328132 607994450 /nfs/dbraw/zinc/99/44/50/607994450.db2.gz HCKWWSDFRCUYNJ-UHFFFAOYSA-N -1 1 382.388 0.331 20 0 GCADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccc(F)cc1 ZINC000826103684 608007175 /nfs/dbraw/zinc/00/71/75/608007175.db2.gz KUDGOURHWPLTCQ-AWEZNQCLSA-N -1 1 386.343 0.751 20 0 GCADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccc(F)cc1 ZINC000826103684 608007176 /nfs/dbraw/zinc/00/71/76/608007176.db2.gz KUDGOURHWPLTCQ-AWEZNQCLSA-N -1 1 386.343 0.751 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000826357126 608008164 /nfs/dbraw/zinc/00/81/64/608008164.db2.gz SGJGJGYUJRILGO-CYBMUJFWSA-N -1 1 395.427 0.770 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000826357126 608008165 /nfs/dbraw/zinc/00/81/65/608008165.db2.gz SGJGJGYUJRILGO-CYBMUJFWSA-N -1 1 395.427 0.770 20 0 GCADMM COC[C@@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(N)=O ZINC000826150735 608009494 /nfs/dbraw/zinc/00/94/94/608009494.db2.gz KRSCASPPMHLLHG-SNVBAGLBSA-N -1 1 377.430 0.091 20 0 GCADMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000826256829 608013434 /nfs/dbraw/zinc/01/34/34/608013434.db2.gz BPANSSKINDJFGP-LBPRGKRZSA-N -1 1 389.441 0.724 20 0 GCADMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000826256829 608013435 /nfs/dbraw/zinc/01/34/35/608013435.db2.gz BPANSSKINDJFGP-LBPRGKRZSA-N -1 1 389.441 0.724 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000826425690 608031705 /nfs/dbraw/zinc/03/17/05/608031705.db2.gz OUMDWTMOGZOZLJ-UHFFFAOYSA-N -1 1 390.354 0.559 20 0 GCADMM Cc1oc(NC(=O)[C@H](C)N2CCC(S(N)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000826342051 608040565 /nfs/dbraw/zinc/04/05/65/608040565.db2.gz WOYLWKBTOGAXMK-VIFPVBQESA-N -1 1 397.461 0.156 20 0 GCADMM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826104413 608057156 /nfs/dbraw/zinc/05/71/56/608057156.db2.gz WCVHRDPUYRIERM-QMMMGPOBSA-N -1 1 379.320 0.481 20 0 GCADMM Cc1nn(CC(=O)c2ccc3c(c2)NC(=O)CO3)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334276 608079450 /nfs/dbraw/zinc/07/94/50/608079450.db2.gz OMCDTOQNHRGNFH-UHFFFAOYSA-N -1 1 381.352 0.254 20 0 GCADMM COC(=O)[C@H](CC(F)F)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826103814 608088570 /nfs/dbraw/zinc/08/85/70/608088570.db2.gz LIHOXLQVMHCXAV-JTQLQIEISA-N -1 1 398.370 0.830 20 0 GCADMM CN(C)C(=O)Sc1ccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cc1 ZINC000825846267 608095534 /nfs/dbraw/zinc/09/55/34/608095534.db2.gz UEUYPCVGXNESRG-UHFFFAOYSA-N -1 1 387.425 0.549 20 0 GCADMM Cc1ccc(CN(C(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)C2CC2)cc1 ZINC000826287247 608095808 /nfs/dbraw/zinc/09/58/08/608095808.db2.gz IJPQHAYSLCVDLA-UHFFFAOYSA-N -1 1 395.423 0.227 20 0 GCADMM Cc1ccccc1Cc1noc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)n1 ZINC000826307840 608096002 /nfs/dbraw/zinc/09/60/02/608096002.db2.gz YIWBWYRCKYTMKN-UHFFFAOYSA-N -1 1 380.368 0.058 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)c(Br)c2)c1=O ZINC000826357094 608096396 /nfs/dbraw/zinc/09/63/96/608096396.db2.gz QQEVTUDAEAOEMJ-UHFFFAOYSA-N -1 1 381.165 0.677 20 0 GCADMM O=S(=O)(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487975 608097243 /nfs/dbraw/zinc/09/72/43/608097243.db2.gz FUCBZFCZTQKQEN-YUSALJHKSA-N -1 1 384.512 0.920 20 0 GCADMM O=S(=O)(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487975 608097244 /nfs/dbraw/zinc/09/72/44/608097244.db2.gz FUCBZFCZTQKQEN-YUSALJHKSA-N -1 1 384.512 0.920 20 0 GCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000826356880 608106692 /nfs/dbraw/zinc/10/66/92/608106692.db2.gz JOZNATAUYXRLSV-UHFFFAOYSA-N -1 1 377.409 0.589 20 0 GCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000826356880 608106693 /nfs/dbraw/zinc/10/66/93/608106693.db2.gz JOZNATAUYXRLSV-UHFFFAOYSA-N -1 1 377.409 0.589 20 0 GCADMM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825897875 608111668 /nfs/dbraw/zinc/11/16/68/608111668.db2.gz PIFYQKKRHIDIAX-UHFFFAOYSA-N -1 1 391.450 0.450 20 0 GCADMM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CN1 ZINC000826478828 608111818 /nfs/dbraw/zinc/11/18/18/608111818.db2.gz KHFMIYJCOFCRML-IINYFYTJSA-N -1 1 394.432 0.685 20 0 GCADMM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CCN12 ZINC000826483321 608112011 /nfs/dbraw/zinc/11/20/11/608112011.db2.gz JMGKKKSONLPSRY-VIFPVBQESA-N -1 1 382.377 0.221 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC[C@@H]1CCOC1 ZINC000825000523 608130107 /nfs/dbraw/zinc/13/01/07/608130107.db2.gz RRMWQNSCKKVCDV-CHWSQXEVSA-N -1 1 387.448 0.303 20 0 GCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC[C@@H]1CCOC1 ZINC000825000523 608130108 /nfs/dbraw/zinc/13/01/08/608130108.db2.gz RRMWQNSCKKVCDV-CHWSQXEVSA-N -1 1 387.448 0.303 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC[C@@H]2CCOC2)n1 ZINC000824147239 608145317 /nfs/dbraw/zinc/14/53/17/608145317.db2.gz AXQTWWVEMOQKST-SNVBAGLBSA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC[C@@H]2CCOC2)n1 ZINC000824147239 608145318 /nfs/dbraw/zinc/14/53/18/608145318.db2.gz AXQTWWVEMOQKST-SNVBAGLBSA-N -1 1 376.421 0.300 20 0 GCADMM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)OCC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826341525 608169467 /nfs/dbraw/zinc/16/94/67/608169467.db2.gz JPGBWVJXYKDWFK-PWSUYJOCSA-N -1 1 389.416 0.930 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](CO)CC1CC1 ZINC000826328589 608172997 /nfs/dbraw/zinc/17/29/97/608172997.db2.gz WPGKHVHYWSYYLP-CYBMUJFWSA-N -1 1 384.444 0.736 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](CO)CC1CC1 ZINC000826328589 608172998 /nfs/dbraw/zinc/17/29/98/608172998.db2.gz WPGKHVHYWSYYLP-CYBMUJFWSA-N -1 1 384.444 0.736 20 0 GCADMM CC[C@@H](C)[C@@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825058890 608193410 /nfs/dbraw/zinc/19/34/10/608193410.db2.gz BBEUPBLSFJXAFF-ZWNOBZJWSA-N -1 1 375.433 0.788 20 0 GCADMM CC[C@H](C)[C@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825058887 608193422 /nfs/dbraw/zinc/19/34/22/608193422.db2.gz BBEUPBLSFJXAFF-GWCFXTLKSA-N -1 1 375.433 0.788 20 0 GCADMM CCC1(CC)[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H](C)[C@@H]1OC ZINC000825171230 608197252 /nfs/dbraw/zinc/19/72/52/608197252.db2.gz NQRVGAIJYLWHBA-JLLWLGSASA-N -1 1 377.449 0.516 20 0 GCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](O)c1c(F)cccc1Cl ZINC000824492446 608202455 /nfs/dbraw/zinc/20/24/55/608202455.db2.gz ZAGZPWYQPHFBCE-JVXZTZIISA-N -1 1 380.771 0.489 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824472823 608210720 /nfs/dbraw/zinc/21/07/20/608210720.db2.gz XDDPGLSLXLLVFO-SECBINFHSA-N -1 1 377.453 0.114 20 0 GCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824472823 608210722 /nfs/dbraw/zinc/21/07/22/608210722.db2.gz XDDPGLSLXLLVFO-SECBINFHSA-N -1 1 377.453 0.114 20 0 GCADMM C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824731598 608210864 /nfs/dbraw/zinc/21/08/64/608210864.db2.gz XLCFFFYHZWNRPP-GHMZBOCLSA-N -1 1 378.437 0.147 20 0 GCADMM C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824731598 608210866 /nfs/dbraw/zinc/21/08/66/608210866.db2.gz XLCFFFYHZWNRPP-GHMZBOCLSA-N -1 1 378.437 0.147 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CNC(=O)OC(C)(C)C ZINC000825929823 608211546 /nfs/dbraw/zinc/21/15/46/608211546.db2.gz KQMQVCUQUJXQJD-UHFFFAOYSA-N -1 1 379.425 0.088 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CNC(=O)OC(C)(C)C ZINC000825929823 608211548 /nfs/dbraw/zinc/21/15/48/608211548.db2.gz KQMQVCUQUJXQJD-UHFFFAOYSA-N -1 1 379.425 0.088 20 0 GCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccccc2-c2nn[nH]n2)c1 ZINC000826395338 608212447 /nfs/dbraw/zinc/21/24/47/608212447.db2.gz XFOOVYPDPPDCNX-UHFFFAOYSA-N -1 1 390.381 0.237 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cnccc1CO ZINC000826327959 608214630 /nfs/dbraw/zinc/21/46/30/608214630.db2.gz AWTIEZBCWHDMCA-UHFFFAOYSA-N -1 1 393.411 0.985 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cnccc1CO ZINC000826327959 608214632 /nfs/dbraw/zinc/21/46/32/608214632.db2.gz AWTIEZBCWHDMCA-UHFFFAOYSA-N -1 1 393.411 0.985 20 0 GCADMM CC[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)[C@H](O)C(F)(F)F ZINC000825149457 608239494 /nfs/dbraw/zinc/23/94/94/608239494.db2.gz YOZWTAPWMSCIAF-WPRPVWTQSA-N -1 1 383.327 0.986 20 0 GCADMM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825759698 608249353 /nfs/dbraw/zinc/24/93/53/608249353.db2.gz OBTQANCIIPVNOQ-UHFFFAOYSA-N -1 1 395.420 0.789 20 0 GCADMM CCC[C@@H]1C(=O)NCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825248349 608250405 /nfs/dbraw/zinc/25/04/05/608250405.db2.gz RQZBYGQVSAXBSO-CYBMUJFWSA-N -1 1 387.444 0.644 20 0 GCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826233073 608251709 /nfs/dbraw/zinc/25/17/09/608251709.db2.gz SQOPBTIVCGDMKR-GFCCVEGCSA-N -1 1 385.428 0.350 20 0 GCADMM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826333443 608271205 /nfs/dbraw/zinc/27/12/05/608271205.db2.gz HYFPQQCWJIGVTD-JTQLQIEISA-N -1 1 397.447 0.750 20 0 GCADMM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826333443 608271207 /nfs/dbraw/zinc/27/12/07/608271207.db2.gz HYFPQQCWJIGVTD-JTQLQIEISA-N -1 1 397.447 0.750 20 0 GCADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1CC(=O)N(C)C1 ZINC000826328402 608276347 /nfs/dbraw/zinc/27/63/47/608276347.db2.gz QCLYHDWBFXGWLX-LBPRGKRZSA-N -1 1 398.427 0.480 20 0 GCADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1CC(=O)N(C)C1 ZINC000826328402 608276349 /nfs/dbraw/zinc/27/63/49/608276349.db2.gz QCLYHDWBFXGWLX-LBPRGKRZSA-N -1 1 398.427 0.480 20 0 GCADMM CC(=O)N1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC12CCCCC2 ZINC000823981968 608306358 /nfs/dbraw/zinc/30/63/58/608306358.db2.gz UWLHFIPYIWGRRW-UHFFFAOYSA-N -1 1 387.448 0.999 20 0 GCADMM CC(=O)N1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC12CCCCC2 ZINC000823981968 608306359 /nfs/dbraw/zinc/30/63/59/608306359.db2.gz UWLHFIPYIWGRRW-UHFFFAOYSA-N -1 1 387.448 0.999 20 0 GCADMM Cc1nc(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)no1 ZINC000826323553 608309700 /nfs/dbraw/zinc/30/97/00/608309700.db2.gz IPMMERHFLWYIEE-UHFFFAOYSA-N -1 1 397.355 0.769 20 0 GCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826467220 608319084 /nfs/dbraw/zinc/31/90/84/608319084.db2.gz MBNXEXSULNNRPI-ZDUSSCGKSA-N -1 1 379.380 0.749 20 0 GCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826467220 608319085 /nfs/dbraw/zinc/31/90/85/608319085.db2.gz MBNXEXSULNNRPI-ZDUSSCGKSA-N -1 1 379.380 0.749 20 0 GCADMM CCCn1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nn1 ZINC000825356940 608330344 /nfs/dbraw/zinc/33/03/44/608330344.db2.gz RBVVURQNTWKQNB-UHFFFAOYSA-N -1 1 398.431 0.696 20 0 GCADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824967626 608340352 /nfs/dbraw/zinc/34/03/52/608340352.db2.gz LPEYXESMDMLCFM-UWVGGRQHSA-N -1 1 376.421 0.393 20 0 GCADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824967626 608340353 /nfs/dbraw/zinc/34/03/53/608340353.db2.gz LPEYXESMDMLCFM-UWVGGRQHSA-N -1 1 376.421 0.393 20 0 GCADMM C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824464761 608340512 /nfs/dbraw/zinc/34/05/12/608340512.db2.gz JUDRODOLDMGMOL-JTQLQIEISA-N -1 1 386.420 0.158 20 0 GCADMM C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824464761 608340514 /nfs/dbraw/zinc/34/05/14/608340514.db2.gz JUDRODOLDMGMOL-JTQLQIEISA-N -1 1 386.420 0.158 20 0 GCADMM CCc1nn(C)cc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825763157 608340878 /nfs/dbraw/zinc/34/08/78/608340878.db2.gz QJGKXAPECRYQMM-LLVKDONJSA-N -1 1 397.447 0.695 20 0 GCADMM CCc1nn(C)cc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825763157 608340879 /nfs/dbraw/zinc/34/08/79/608340879.db2.gz QJGKXAPECRYQMM-LLVKDONJSA-N -1 1 397.447 0.695 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCC[C@H](O)C2)n1 ZINC000824147384 608341399 /nfs/dbraw/zinc/34/13/99/608341399.db2.gz BNUZCUHUBUHVIA-UWVGGRQHSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCC[C@H](O)C2)n1 ZINC000824147384 608341401 /nfs/dbraw/zinc/34/14/01/608341401.db2.gz BNUZCUHUBUHVIA-UWVGGRQHSA-N -1 1 376.421 0.176 20 0 GCADMM O=S(=O)(N[C@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487070 608345075 /nfs/dbraw/zinc/34/50/75/608345075.db2.gz CEGOGZNQVLHAEF-LBPRGKRZSA-N -1 1 378.389 0.283 20 0 GCADMM O=S(=O)(N[C@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487070 608345077 /nfs/dbraw/zinc/34/50/77/608345077.db2.gz CEGOGZNQVLHAEF-LBPRGKRZSA-N -1 1 378.389 0.283 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCCOC2)n1 ZINC000824148133 608346712 /nfs/dbraw/zinc/34/67/12/608346712.db2.gz MZMZONRYFZPDSZ-JTQLQIEISA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCCOC2)n1 ZINC000824148133 608346714 /nfs/dbraw/zinc/34/67/14/608346714.db2.gz MZMZONRYFZPDSZ-JTQLQIEISA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCCOC2)n1 ZINC000824148135 608346967 /nfs/dbraw/zinc/34/69/67/608346967.db2.gz MZMZONRYFZPDSZ-SNVBAGLBSA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCCOC2)n1 ZINC000824148135 608346969 /nfs/dbraw/zinc/34/69/69/608346969.db2.gz MZMZONRYFZPDSZ-SNVBAGLBSA-N -1 1 376.421 0.300 20 0 GCADMM CC(C)(C)OCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824119164 608351116 /nfs/dbraw/zinc/35/11/16/608351116.db2.gz CDFHOFPOEGFWHH-UHFFFAOYSA-N -1 1 378.437 0.688 20 0 GCADMM CC(C)(C)OCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824119164 608351118 /nfs/dbraw/zinc/35/11/18/608351118.db2.gz CDFHOFPOEGFWHH-UHFFFAOYSA-N -1 1 378.437 0.688 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCCO1 ZINC000824969025 608351437 /nfs/dbraw/zinc/35/14/37/608351437.db2.gz SFEZDUCIJYDUNM-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCCO1 ZINC000824969025 608351439 /nfs/dbraw/zinc/35/14/39/608351439.db2.gz SFEZDUCIJYDUNM-SNVBAGLBSA-N -1 1 376.421 0.394 20 0 GCADMM CCO[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825584020 608351636 /nfs/dbraw/zinc/35/16/36/608351636.db2.gz ZLFYCWMFFSNXOR-NSHDSACASA-N -1 1 390.448 0.784 20 0 GCADMM CCO[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825584020 608351639 /nfs/dbraw/zinc/35/16/39/608351639.db2.gz ZLFYCWMFFSNXOR-NSHDSACASA-N -1 1 390.448 0.784 20 0 GCADMM C[C@@H](O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000824691273 608352714 /nfs/dbraw/zinc/35/27/14/608352714.db2.gz YPEHFKWIJXCQHL-SNVBAGLBSA-N -1 1 390.448 0.376 20 0 GCADMM C[C@@H](O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000824691273 608352716 /nfs/dbraw/zinc/35/27/16/608352716.db2.gz YPEHFKWIJXCQHL-SNVBAGLBSA-N -1 1 390.448 0.376 20 0 GCADMM CC(C)(C)CN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824087276 608352768 /nfs/dbraw/zinc/35/27/68/608352768.db2.gz RZQAVOYOBUHGGF-UHFFFAOYSA-N -1 1 392.464 0.624 20 0 GCADMM CC(C)(C)CN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824087276 608352769 /nfs/dbraw/zinc/35/27/69/608352769.db2.gz RZQAVOYOBUHGGF-UHFFFAOYSA-N -1 1 392.464 0.624 20 0 GCADMM CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825061449 608353235 /nfs/dbraw/zinc/35/32/35/608353235.db2.gz XOOZKEFSMFIEOW-GXSJLCMTSA-N -1 1 378.437 0.280 20 0 GCADMM CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825061449 608353237 /nfs/dbraw/zinc/35/32/37/608353237.db2.gz XOOZKEFSMFIEOW-GXSJLCMTSA-N -1 1 378.437 0.280 20 0 GCADMM CCC(CC)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825097751 608353817 /nfs/dbraw/zinc/35/38/17/608353817.db2.gz YTHLDIDQNAFIMT-GFCCVEGCSA-N -1 1 392.464 0.670 20 0 GCADMM CCC(CC)[C@H](O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825097751 608353819 /nfs/dbraw/zinc/35/38/19/608353819.db2.gz YTHLDIDQNAFIMT-GFCCVEGCSA-N -1 1 392.464 0.670 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2O)n1 ZINC000824147280 608354004 /nfs/dbraw/zinc/35/40/04/608354004.db2.gz BIOGWXBZNLMZKF-ONGXEEELSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2O)n1 ZINC000824147280 608354007 /nfs/dbraw/zinc/35/40/07/608354007.db2.gz BIOGWXBZNLMZKF-ONGXEEELSA-N -1 1 376.421 0.034 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)n1 ZINC000824148565 608354166 /nfs/dbraw/zinc/35/41/66/608354166.db2.gz ZXSWEKPFAZTCLK-ZYHUDNBSSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)n1 ZINC000824148565 608354168 /nfs/dbraw/zinc/35/41/68/608354168.db2.gz ZXSWEKPFAZTCLK-ZYHUDNBSSA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)n1 ZINC000824148338 608354295 /nfs/dbraw/zinc/35/42/95/608354295.db2.gz QVRRGFRSZHFZHO-WDEREUQCSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)n1 ZINC000824148338 608354296 /nfs/dbraw/zinc/35/42/96/608354296.db2.gz QVRRGFRSZHFZHO-WDEREUQCSA-N -1 1 376.421 0.176 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H](O)C2)n1 ZINC000824147419 608354407 /nfs/dbraw/zinc/35/44/07/608354407.db2.gz CEPHBTCIVLUKCF-MNOVXSKESA-N -1 1 390.448 0.424 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H](O)C2)n1 ZINC000824147419 608354408 /nfs/dbraw/zinc/35/44/08/608354408.db2.gz CEPHBTCIVLUKCF-MNOVXSKESA-N -1 1 390.448 0.424 20 0 GCADMM CCOC[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825590619 608354917 /nfs/dbraw/zinc/35/49/17/608354917.db2.gz YHLUVNXTXXYTBJ-LLVKDONJSA-N -1 1 390.448 0.642 20 0 GCADMM CCOC[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825590619 608354919 /nfs/dbraw/zinc/35/49/19/608354919.db2.gz YHLUVNXTXXYTBJ-LLVKDONJSA-N -1 1 390.448 0.642 20 0 GCADMM CC[C@H](O)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825154857 608354972 /nfs/dbraw/zinc/35/49/72/608354972.db2.gz UZRUROCGPALIIH-JTQLQIEISA-N -1 1 378.437 0.424 20 0 GCADMM CC[C@H](O)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825154857 608354974 /nfs/dbraw/zinc/35/49/74/608354974.db2.gz UZRUROCGPALIIH-JTQLQIEISA-N -1 1 378.437 0.424 20 0 GCADMM COC[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826153130 608355523 /nfs/dbraw/zinc/35/55/23/608355523.db2.gz CJPDCXUPXHFTEP-JTQLQIEISA-N -1 1 376.421 0.252 20 0 GCADMM COC[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826153130 608355524 /nfs/dbraw/zinc/35/55/24/608355524.db2.gz CJPDCXUPXHFTEP-JTQLQIEISA-N -1 1 376.421 0.252 20 0 GCADMM CO[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1(C)C ZINC000826144286 608356587 /nfs/dbraw/zinc/35/65/87/608356587.db2.gz GGHABQYQOYNFPF-WDEREUQCSA-N -1 1 390.448 0.686 20 0 GCADMM CO[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1(C)C ZINC000826144286 608356590 /nfs/dbraw/zinc/35/65/90/608356590.db2.gz GGHABQYQOYNFPF-WDEREUQCSA-N -1 1 390.448 0.686 20 0 GCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2ncccc2F)n1 ZINC000824148143 608358037 /nfs/dbraw/zinc/35/80/37/608358037.db2.gz NGJCDXMGZJRAND-UHFFFAOYSA-N -1 1 387.379 0.607 20 0 GCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2ncccc2F)n1 ZINC000824148143 608358039 /nfs/dbraw/zinc/35/80/39/608358039.db2.gz NGJCDXMGZJRAND-UHFFFAOYSA-N -1 1 387.379 0.607 20 0 GCADMM Cc1cncc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826318826 608359072 /nfs/dbraw/zinc/35/90/72/608359072.db2.gz AYABEWNVCRGYPN-UHFFFAOYSA-N -1 1 383.416 0.777 20 0 GCADMM Cc1cncc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000826318826 608359073 /nfs/dbraw/zinc/35/90/73/608359073.db2.gz AYABEWNVCRGYPN-UHFFFAOYSA-N -1 1 383.416 0.777 20 0 GCADMM COc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccc1OCC(=O)N(C)C ZINC000826179173 608398879 /nfs/dbraw/zinc/39/88/79/608398879.db2.gz CFXPVBGOQSDQQY-UHFFFAOYSA-N -1 1 384.400 0.744 20 0 GCADMM COc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccc1OCC(=O)N(C)C ZINC000826179173 608398881 /nfs/dbraw/zinc/39/88/81/608398881.db2.gz CFXPVBGOQSDQQY-UHFFFAOYSA-N -1 1 384.400 0.744 20 0 GCADMM COCCn1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000826163929 608408310 /nfs/dbraw/zinc/40/83/10/608408310.db2.gz RDRCMWLPJIRYAW-UHFFFAOYSA-N -1 1 389.424 0.111 20 0 GCADMM COCCn1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000826163929 608408311 /nfs/dbraw/zinc/40/83/11/608408311.db2.gz RDRCMWLPJIRYAW-UHFFFAOYSA-N -1 1 389.424 0.111 20 0 GCADMM O=C(C1CC1)N1CCN(c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cn2)CC1 ZINC000826398448 608408641 /nfs/dbraw/zinc/40/86/41/608408641.db2.gz XCZCRLSLFBPCDH-UHFFFAOYSA-N -1 1 392.427 0.854 20 0 GCADMM O=C(C1CC1)N1CCN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cn2)CC1 ZINC000826398448 608408642 /nfs/dbraw/zinc/40/86/42/608408642.db2.gz XCZCRLSLFBPCDH-UHFFFAOYSA-N -1 1 392.427 0.854 20 0 GCADMM COC(=O)CN1CCN(c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)CC1 ZINC000826138230 608413951 /nfs/dbraw/zinc/41/39/51/608413951.db2.gz LGHGDMGDDOWGPV-UHFFFAOYSA-N -1 1 395.427 0.695 20 0 GCADMM COC(=O)CN1CCN(c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)CC1 ZINC000826138230 608413952 /nfs/dbraw/zinc/41/39/52/608413952.db2.gz LGHGDMGDDOWGPV-UHFFFAOYSA-N -1 1 395.427 0.695 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nnn[n-]4)nn3)cn2)C[C@H](C)O1 ZINC000824969483 608422631 /nfs/dbraw/zinc/42/26/31/608422631.db2.gz UTKNJMAEVRCMMH-QWRGUYRKSA-N -1 1 384.404 0.233 20 0 GCADMM C[C@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nn[n-]n4)nn3)cn2)C[C@H](C)O1 ZINC000824969483 608422632 /nfs/dbraw/zinc/42/26/32/608422632.db2.gz UTKNJMAEVRCMMH-QWRGUYRKSA-N -1 1 384.404 0.233 20 0 GCADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826334122 608425487 /nfs/dbraw/zinc/42/54/87/608425487.db2.gz IQPXCOQRWZDFJJ-SNVBAGLBSA-N -1 1 375.418 0.573 20 0 GCADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826334122 608425488 /nfs/dbraw/zinc/42/54/88/608425488.db2.gz IQPXCOQRWZDFJJ-SNVBAGLBSA-N -1 1 375.418 0.573 20 0 GCADMM COc1cc(OC)cc(-n2nnnc2CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826181294 608430639 /nfs/dbraw/zinc/43/06/39/608430639.db2.gz TVBVTXALEHBYAP-UHFFFAOYSA-N -1 1 395.387 0.286 20 0 GCADMM COc1cc(OC)cc(-n2nnnc2CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826181294 608430640 /nfs/dbraw/zinc/43/06/40/608430640.db2.gz TVBVTXALEHBYAP-UHFFFAOYSA-N -1 1 395.387 0.286 20 0 GCADMM O=S(=O)(N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC000826487563 608431058 /nfs/dbraw/zinc/43/10/58/608431058.db2.gz RTEYPBVKNCALPI-UHFFFAOYSA-N -1 1 378.340 0.383 20 0 GCADMM O=S(=O)(N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC000826487563 608431059 /nfs/dbraw/zinc/43/10/59/608431059.db2.gz RTEYPBVKNCALPI-UHFFFAOYSA-N -1 1 378.340 0.383 20 0 GCADMM O=S(=O)(NCCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)s1 ZINC000826491303 608436557 /nfs/dbraw/zinc/43/65/57/608436557.db2.gz BXPAEQUSFNSTJM-UHFFFAOYSA-N -1 1 386.850 0.762 20 0 GCADMM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826391438 608437764 /nfs/dbraw/zinc/43/77/64/608437764.db2.gz LARNQKISBWPGHZ-AWEZNQCLSA-N -1 1 380.412 0.277 20 0 GCADMM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826391438 608437766 /nfs/dbraw/zinc/43/77/66/608437766.db2.gz LARNQKISBWPGHZ-AWEZNQCLSA-N -1 1 380.412 0.277 20 0 GCADMM Cc1oc(NC(=O)COC(=O)[C@H](C)N2CCSCC2)c(-c2nn[n-]n2)c1C ZINC000826342716 608453763 /nfs/dbraw/zinc/45/37/63/608453763.db2.gz XACMJBPYSLIQHN-JTQLQIEISA-N -1 1 394.457 0.996 20 0 GCADMM Cc1cnccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826319524 608474077 /nfs/dbraw/zinc/47/40/77/608474077.db2.gz HBXUNYFSINVNMR-GFCCVEGCSA-N -1 1 380.416 0.525 20 0 GCADMM Cc1cnccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826319524 608474079 /nfs/dbraw/zinc/47/40/79/608474079.db2.gz HBXUNYFSINVNMR-GFCCVEGCSA-N -1 1 380.416 0.525 20 0 GCADMM Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826339892 608507753 /nfs/dbraw/zinc/50/77/53/608507753.db2.gz YKQUWZLNZAMKKS-UHFFFAOYSA-N -1 1 393.429 0.571 20 0 GCADMM Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826339892 608507754 /nfs/dbraw/zinc/50/77/54/608507754.db2.gz YKQUWZLNZAMKKS-UHFFFAOYSA-N -1 1 393.429 0.571 20 0 GCADMM CC(C)[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C ZINC000824342019 608539070 /nfs/dbraw/zinc/53/90/70/608539070.db2.gz ITDWHRUMSPONGD-JTQLQIEISA-N -1 1 379.421 0.042 20 0 GCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000826280490 608542338 /nfs/dbraw/zinc/54/23/38/608542338.db2.gz DEVJGFCQAYKATF-UHFFFAOYSA-N -1 1 377.416 0.573 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H](O)c1ccccc1Cl ZINC000825929852 608556784 /nfs/dbraw/zinc/55/67/84/608556784.db2.gz MLKSGGQDAZWLBU-CYBMUJFWSA-N -1 1 390.835 0.950 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H](O)c1ccccc1Cl ZINC000825929852 608556786 /nfs/dbraw/zinc/55/67/86/608556786.db2.gz MLKSGGQDAZWLBU-CYBMUJFWSA-N -1 1 390.835 0.950 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(N2CCCC2)nn1 ZINC000825933308 608556973 /nfs/dbraw/zinc/55/69/73/608556973.db2.gz BJXDHTRJSWZGMZ-UHFFFAOYSA-N -1 1 397.447 0.267 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(N2CCCC2)nn1 ZINC000825933308 608556974 /nfs/dbraw/zinc/55/69/74/608556974.db2.gz BJXDHTRJSWZGMZ-UHFFFAOYSA-N -1 1 397.447 0.267 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000825934731 608557029 /nfs/dbraw/zinc/55/70/29/608557029.db2.gz QWXIPRZVNPPOCX-UHFFFAOYSA-N -1 1 382.388 0.860 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCOc1cccc(C=O)c1 ZINC000825923835 608557811 /nfs/dbraw/zinc/55/78/11/608557811.db2.gz YFQHTFJFVLOORB-UHFFFAOYSA-N -1 1 398.427 0.845 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCOc1cccc(C=O)c1 ZINC000825923835 608557813 /nfs/dbraw/zinc/55/78/13/608557813.db2.gz YFQHTFJFVLOORB-UHFFFAOYSA-N -1 1 398.427 0.845 20 0 GCADMM CCc1noc2ncc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cc12 ZINC000825777180 608557899 /nfs/dbraw/zinc/55/78/99/608557899.db2.gz PQOJJRUMHUWYIP-UHFFFAOYSA-N -1 1 396.415 0.975 20 0 GCADMM CCc1noc2ncc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cc12 ZINC000825777180 608557901 /nfs/dbraw/zinc/55/79/01/608557901.db2.gz PQOJJRUMHUWYIP-UHFFFAOYSA-N -1 1 396.415 0.975 20 0 GCADMM Cc1nc2ccccc2n1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826328846 608558823 /nfs/dbraw/zinc/55/88/23/608558823.db2.gz GWDJQPNWCQPMTR-UHFFFAOYSA-N -1 1 394.443 0.921 20 0 GCADMM Cc1nc2ccccc2n1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826328846 608558824 /nfs/dbraw/zinc/55/88/24/608558824.db2.gz GWDJQPNWCQPMTR-UHFFFAOYSA-N -1 1 394.443 0.921 20 0 GCADMM C[C@H](OC[C@H]1CCCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824728373 608559157 /nfs/dbraw/zinc/55/91/57/608559157.db2.gz FPLNALNIBZWHKF-NWDGAFQWSA-N -1 1 392.464 0.537 20 0 GCADMM C[C@H](OC[C@H]1CCCCO1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824728373 608559159 /nfs/dbraw/zinc/55/91/59/608559159.db2.gz FPLNALNIBZWHKF-NWDGAFQWSA-N -1 1 392.464 0.537 20 0 GCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H]1O ZINC000824991377 608563323 /nfs/dbraw/zinc/56/33/23/608563323.db2.gz AGEADLYUZSFHCS-XCBNKYQSSA-N -1 1 377.348 0.887 20 0 GCADMM NC(=O)CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826391135 608566488 /nfs/dbraw/zinc/56/64/88/608566488.db2.gz XRVGKSRUJWHBST-UHFFFAOYSA-N -1 1 392.363 0.819 20 0 GCADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CC[C@H](CO)C1 ZINC000826494865 608567371 /nfs/dbraw/zinc/56/73/71/608567371.db2.gz SJDLROXNYBZNLL-QMMMGPOBSA-N -1 1 377.348 0.888 20 0 GCADMM COC(=O)CN(CCN1CCOCC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826138267 608584168 /nfs/dbraw/zinc/58/41/68/608584168.db2.gz MZWTZZJNDMGJRQ-UHFFFAOYSA-N -1 1 381.824 0.227 20 0 GCADMM COC(=O)CN(CCN1CCOCC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826138267 608584169 /nfs/dbraw/zinc/58/41/69/608584169.db2.gz MZWTZZJNDMGJRQ-UHFFFAOYSA-N -1 1 381.824 0.227 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000826425190 608610349 /nfs/dbraw/zinc/61/03/49/608610349.db2.gz SSNRDANSMOULSS-UHFFFAOYSA-N -1 1 386.391 0.805 20 0 GCADMM C[C@H](O)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000826232289 608617879 /nfs/dbraw/zinc/61/78/79/608617879.db2.gz SLIHSLGACPZXNL-JTQLQIEISA-N -1 1 383.368 0.490 20 0 GCADMM COCCCNC(=O)[C@@H](C)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826155986 608677847 /nfs/dbraw/zinc/67/78/47/608677847.db2.gz LDAOVODOWVJCCA-CYBMUJFWSA-N -1 1 377.449 0.119 20 0 GCADMM COCCCNC(=O)[C@@H](C)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826155986 608677850 /nfs/dbraw/zinc/67/78/50/608677850.db2.gz LDAOVODOWVJCCA-CYBMUJFWSA-N -1 1 377.449 0.119 20 0 GCADMM COCCCNC(=O)[C@H](C)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826155987 608677927 /nfs/dbraw/zinc/67/79/27/608677927.db2.gz LDAOVODOWVJCCA-ZDUSSCGKSA-N -1 1 377.449 0.119 20 0 GCADMM COCCCNC(=O)[C@H](C)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826155987 608677929 /nfs/dbraw/zinc/67/79/29/608677929.db2.gz LDAOVODOWVJCCA-ZDUSSCGKSA-N -1 1 377.449 0.119 20 0 GCADMM c1cc(-c2nnn[n-]2)oc1CN1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000826519778 608679515 /nfs/dbraw/zinc/67/95/15/608679515.db2.gz NSZXSQFWENRUEW-UHFFFAOYSA-N -1 1 392.427 0.753 20 0 GCADMM c1cc(-c2nn[n-]n2)oc1CN1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000826519778 608679518 /nfs/dbraw/zinc/67/95/18/608679518.db2.gz NSZXSQFWENRUEW-UHFFFAOYSA-N -1 1 392.427 0.753 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000824999801 608834286 /nfs/dbraw/zinc/83/42/86/608834286.db2.gz KCRACBBSDAGPDK-LBPRGKRZSA-N -1 1 396.459 0.397 20 0 GCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000824999801 608834287 /nfs/dbraw/zinc/83/42/87/608834287.db2.gz KCRACBBSDAGPDK-LBPRGKRZSA-N -1 1 396.459 0.397 20 0 GCADMM Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C(N)=O ZINC000826290837 609157530 /nfs/dbraw/zinc/15/75/30/609157530.db2.gz CBTJFYVUTQOBPD-UHFFFAOYSA-N -1 1 398.431 0.676 20 0 GCADMM Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C(N)=O ZINC000826290837 609157531 /nfs/dbraw/zinc/15/75/31/609157531.db2.gz CBTJFYVUTQOBPD-UHFFFAOYSA-N -1 1 398.431 0.676 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cnc2c(c1)COCC2 ZINC000825929806 609162678 /nfs/dbraw/zinc/16/26/78/609162678.db2.gz JZWCXWUWCYQNIR-UHFFFAOYSA-N -1 1 398.431 0.736 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cnc2c(c1)COCC2 ZINC000825929806 609162679 /nfs/dbraw/zinc/16/26/79/609162679.db2.gz JZWCXWUWCYQNIR-UHFFFAOYSA-N -1 1 398.431 0.736 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc3c2OCCC3=O)c1-c1nnn[n-]1 ZINC000826396225 609165392 /nfs/dbraw/zinc/16/53/92/609165392.db2.gz NJTUOVPUMSOIJD-UHFFFAOYSA-N -1 1 397.399 0.892 20 0 GCADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc3c2OCCC3=O)c1-c1nn[n-]n1 ZINC000826396225 609165394 /nfs/dbraw/zinc/16/53/94/609165394.db2.gz NJTUOVPUMSOIJD-UHFFFAOYSA-N -1 1 397.399 0.892 20 0 GCADMM Cn1cc(-c2nc([C@@H]3COCCN3Cc3ccc(-c4nnn[n-]4)o3)no2)cn1 ZINC000826356317 609175992 /nfs/dbraw/zinc/17/59/92/609175992.db2.gz LCRIXCUHVXCJJM-LBPRGKRZSA-N -1 1 383.372 0.817 20 0 GCADMM Cn1cc(-c2nc([C@@H]3COCCN3Cc3ccc(-c4nn[n-]n4)o3)no2)cn1 ZINC000826356317 609175994 /nfs/dbraw/zinc/17/59/94/609175994.db2.gz LCRIXCUHVXCJJM-LBPRGKRZSA-N -1 1 383.372 0.817 20 0 GCADMM O=c1onc(-c2cccs2)n1Cc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC000826502032 609176527 /nfs/dbraw/zinc/17/65/27/609176527.db2.gz RMFWDJHLPYORMY-UHFFFAOYSA-N -1 1 383.353 0.542 20 0 GCADMM CCOCCOC1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000825599968 609265863 /nfs/dbraw/zinc/26/58/63/609265863.db2.gz UWUJYGZIBLDRTH-UHFFFAOYSA-N -1 1 390.444 0.781 20 0 GCADMM CC(C)(C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OCc1ccccc1 ZINC000824130460 609265967 /nfs/dbraw/zinc/26/59/67/609265967.db2.gz KMKNLGFTNZLEFN-CQSZACIVSA-N -1 1 398.427 0.733 20 0 GCADMM CC(C)(C)OC(=O)N1CC(OCCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824104386 609267020 /nfs/dbraw/zinc/26/70/20/609267020.db2.gz RDIJABIYMKYPLA-UHFFFAOYSA-N -1 1 378.393 0.312 20 0 GCADMM COc1ccc([C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C(F)(F)F)cc1 ZINC000826188831 609267094 /nfs/dbraw/zinc/26/70/94/609267094.db2.gz IDHBLUUCPWZYBF-LLVKDONJSA-N -1 1 382.306 0.887 20 0 GCADMM CCCNC(=O)NC(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825332557 609279723 /nfs/dbraw/zinc/27/97/23/609279723.db2.gz HYBLDNWYJCKQMD-UHFFFAOYSA-N -1 1 387.379 0.839 20 0 GCADMM C[C@H](CS(C)(=O)=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824448629 609287169 /nfs/dbraw/zinc/28/71/69/609287169.db2.gz JEDCLVWQMJFPGP-SECBINFHSA-N -1 1 393.404 0.811 20 0 GCADMM CN(C)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000825930699 609298960 /nfs/dbraw/zinc/29/89/60/609298960.db2.gz WRZBVLUWOLWONP-UHFFFAOYSA-N -1 1 399.463 0.407 20 0 GCADMM CN(C)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000825930699 609298961 /nfs/dbraw/zinc/29/89/61/609298961.db2.gz WRZBVLUWOLWONP-UHFFFAOYSA-N -1 1 399.463 0.407 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000825929857 609299000 /nfs/dbraw/zinc/29/90/00/609299000.db2.gz MRBQOSZTPUYOOV-LBPRGKRZSA-N -1 1 397.443 0.750 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000825929857 609299002 /nfs/dbraw/zinc/29/90/02/609299002.db2.gz MRBQOSZTPUYOOV-LBPRGKRZSA-N -1 1 397.443 0.750 20 0 GCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc1-c1nn[n-]n1 ZINC000826229620 609301123 /nfs/dbraw/zinc/30/11/23/609301123.db2.gz KYAHRSBWHPXOSU-XVKPBYJWSA-N -1 1 377.430 0.463 20 0 GCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000826424888 609301306 /nfs/dbraw/zinc/30/13/06/609301306.db2.gz HKRBMSOYNOSPSE-NSHDSACASA-N -1 1 396.333 0.410 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1nccn1C(F)F ZINC000825930083 609302740 /nfs/dbraw/zinc/30/27/40/609302740.db2.gz PLZYBECQBNFVLS-UHFFFAOYSA-N -1 1 395.378 0.538 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1nccn1C(F)F ZINC000825930083 609302742 /nfs/dbraw/zinc/30/27/42/609302742.db2.gz PLZYBECQBNFVLS-UHFFFAOYSA-N -1 1 395.378 0.538 20 0 GCADMM CO[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1(C)C ZINC000826144971 609304998 /nfs/dbraw/zinc/30/49/98/609304998.db2.gz WUZMIHKJIHAZRP-QWRGUYRKSA-N -1 1 377.453 0.560 20 0 GCADMM CO[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1(C)C ZINC000826144971 609305000 /nfs/dbraw/zinc/30/50/00/609305000.db2.gz WUZMIHKJIHAZRP-QWRGUYRKSA-N -1 1 377.453 0.560 20 0 GCADMM C[C@H]1C[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824884332 609309507 /nfs/dbraw/zinc/30/95/07/609309507.db2.gz NKPQGYOABFBATL-QWRGUYRKSA-N -1 1 377.453 0.561 20 0 GCADMM C[C@H]1C[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824884332 609309509 /nfs/dbraw/zinc/30/95/09/609309509.db2.gz NKPQGYOABFBATL-QWRGUYRKSA-N -1 1 377.453 0.561 20 0 GCADMM CC(C)[C@@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824216458 609309514 /nfs/dbraw/zinc/30/95/14/609309514.db2.gz RVWWHRXSRVDBIW-AAEUAGOBSA-N -1 1 391.480 0.950 20 0 GCADMM CC(C)[C@@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824216458 609309516 /nfs/dbraw/zinc/30/95/16/609309516.db2.gz RVWWHRXSRVDBIW-AAEUAGOBSA-N -1 1 391.480 0.950 20 0 GCADMM C[C@@H]1C[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824884331 609309580 /nfs/dbraw/zinc/30/95/80/609309580.db2.gz NKPQGYOABFBATL-MNOVXSKESA-N -1 1 377.453 0.561 20 0 GCADMM C[C@@H]1C[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824884331 609309582 /nfs/dbraw/zinc/30/95/82/609309582.db2.gz NKPQGYOABFBATL-MNOVXSKESA-N -1 1 377.453 0.561 20 0 GCADMM CO[C@@H]1CCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826145508 609309704 /nfs/dbraw/zinc/30/97/04/609309704.db2.gz HSQUBOXVLJUTJH-CMPLNLGQSA-N -1 1 377.453 0.561 20 0 GCADMM CO[C@@H]1CCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826145508 609309706 /nfs/dbraw/zinc/30/97/06/609309706.db2.gz HSQUBOXVLJUTJH-CMPLNLGQSA-N -1 1 377.453 0.561 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000825929198 609309979 /nfs/dbraw/zinc/30/99/79/609309979.db2.gz CJVCUTDBCWRKDQ-NSHDSACASA-N -1 1 389.464 0.848 20 0 GCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000825929198 609309980 /nfs/dbraw/zinc/30/99/80/609309980.db2.gz CJVCUTDBCWRKDQ-NSHDSACASA-N -1 1 389.464 0.848 20 0 GCADMM COC[C@@H](CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)OC ZINC000826150112 609311765 /nfs/dbraw/zinc/31/17/65/609311765.db2.gz WTECWACQXRHFEB-GFCCVEGCSA-N -1 1 388.432 0.236 20 0 GCADMM COC[C@@H](CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)OC ZINC000826150112 609311766 /nfs/dbraw/zinc/31/17/66/609311766.db2.gz WTECWACQXRHFEB-GFCCVEGCSA-N -1 1 388.432 0.236 20 0 GCADMM Cc1nn(-c2ccccc2)cc1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826332748 609312009 /nfs/dbraw/zinc/31/20/09/609312009.db2.gz GKZYUKGCEINLGT-UHFFFAOYSA-N -1 1 379.384 0.502 20 0 GCADMM C[C@H](O)c1cn(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nn1 ZINC000824707735 609312443 /nfs/dbraw/zinc/31/24/43/609312443.db2.gz VCPJVFCMQRMVNV-VIFPVBQESA-N -1 1 398.362 0.475 20 0 GCADMM Cc1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(N2CCCC2)n1 ZINC000826288447 609312960 /nfs/dbraw/zinc/31/29/60/609312960.db2.gz HNBCQXZZLWGYGK-UHFFFAOYSA-N -1 1 397.443 0.180 20 0 GCADMM CCN1CCOC[C@@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825465692 609312994 /nfs/dbraw/zinc/31/29/94/609312994.db2.gz PTFDGCQFATZCSK-CYBMUJFWSA-N -1 1 386.391 0.851 20 0 GCADMM COC[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)OC ZINC000826149845 609318354 /nfs/dbraw/zinc/31/83/54/609318354.db2.gz QJDMLIDYCFHIFP-SECBINFHSA-N -1 1 395.363 0.825 20 0 GCADMM CCC(CC)[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000825106826 609321986 /nfs/dbraw/zinc/32/19/86/609321986.db2.gz JGHXIRFVUFIAHG-RYUDHWBXSA-N -1 1 377.449 0.660 20 0 GCADMM C[C@H]1C[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824899440 609352215 /nfs/dbraw/zinc/35/22/15/609352215.db2.gz JWKANLZDMDYVEV-UWVGGRQHSA-N -1 1 384.375 0.902 20 0 GCADMM CC(C)[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCO1 ZINC000824224626 609352850 /nfs/dbraw/zinc/35/28/50/609352850.db2.gz PCVHIZHOXZLKBB-LBPRGKRZSA-N -1 1 390.448 0.640 20 0 GCADMM CC(C)[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCO1 ZINC000824224626 609352852 /nfs/dbraw/zinc/35/28/52/609352852.db2.gz PCVHIZHOXZLKBB-LBPRGKRZSA-N -1 1 390.448 0.640 20 0 GCADMM CN(C)C(=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825840678 609358792 /nfs/dbraw/zinc/35/87/92/609358792.db2.gz PUPHTCBHXZUYTN-UHFFFAOYSA-N -1 1 387.379 0.791 20 0 GCADMM COC[C@H](O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826152189 609361212 /nfs/dbraw/zinc/36/12/12/609361212.db2.gz SPBFSRFFFNGELR-SNVBAGLBSA-N -1 1 390.379 0.710 20 0 GCADMM O=C(NC[C@]1(O)CCOC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826434244 609361252 /nfs/dbraw/zinc/36/12/52/609361252.db2.gz HQEUCSHAGSPWPB-MRXNPFEDSA-N -1 1 388.363 0.464 20 0 GCADMM O=C(CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NCC1CC1 ZINC000826411555 609364031 /nfs/dbraw/zinc/36/40/31/609364031.db2.gz DCHBPMXUHRDIIZ-UHFFFAOYSA-N -1 1 399.390 0.839 20 0 GCADMM CN(CC(F)F)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825902586 609365877 /nfs/dbraw/zinc/36/58/77/609365877.db2.gz WXAIRVXGDKRDRS-UHFFFAOYSA-N -1 1 394.317 0.854 20 0 GCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824945751 609366190 /nfs/dbraw/zinc/36/61/90/609366190.db2.gz FJKMDCWHSZGILE-SNVBAGLBSA-N -1 1 384.375 0.998 20 0 GCADMM C[C@@H](CCO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824407719 609367202 /nfs/dbraw/zinc/36/72/02/609367202.db2.gz ZBEZDYKYTSBPSC-VIFPVBQESA-N -1 1 388.363 0.017 20 0 GCADMM CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825439962 609400243 /nfs/dbraw/zinc/40/02/43/609400243.db2.gz VVLBALQEZNILAO-UHFFFAOYSA-N -1 1 382.837 0.859 20 0 GCADMM COCc1cc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ncn1 ZINC000826164340 609437877 /nfs/dbraw/zinc/43/78/77/609437877.db2.gz SGJRIZGXMMDAHK-UHFFFAOYSA-N -1 1 383.416 0.995 20 0 GCADMM O=S(=O)(C1CN(c2nccnc2-c2nnn[n-]2)C1)N1CCc2ccccc21 ZINC000826484217 609494132 /nfs/dbraw/zinc/49/41/32/609494132.db2.gz SKMHWFZVKUACGM-UHFFFAOYSA-N -1 1 384.425 0.238 20 0 GCADMM O=S(=O)(C1CN(c2nccnc2-c2nn[n-]n2)C1)N1CCc2ccccc21 ZINC000826484217 609494134 /nfs/dbraw/zinc/49/41/34/609494134.db2.gz SKMHWFZVKUACGM-UHFFFAOYSA-N -1 1 384.425 0.238 20 0 GCADMM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CCO2)no1 ZINC000826324827 609497269 /nfs/dbraw/zinc/49/72/69/609497269.db2.gz GJHHGHIQSPUQDE-LBPRGKRZSA-N -1 1 395.376 0.459 20 0 GCADMM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000826325237 609498085 /nfs/dbraw/zinc/49/80/85/609498085.db2.gz RRFVQNSRCAASIQ-LLVKDONJSA-N -1 1 395.376 0.459 20 0 GCADMM CCc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000825771630 609499794 /nfs/dbraw/zinc/49/97/94/609499794.db2.gz NIQABRRIUYFYIF-SNVBAGLBSA-N -1 1 392.420 0.453 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)c1-c1nnn[n-]1 ZINC000826345283 609503427 /nfs/dbraw/zinc/50/34/27/609503427.db2.gz IBHNHRPDEBFOSZ-LLVKDONJSA-N -1 1 388.388 0.812 20 0 GCADMM Cc1onc(CC(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)c1-c1nn[n-]n1 ZINC000826345283 609503428 /nfs/dbraw/zinc/50/34/28/609503428.db2.gz IBHNHRPDEBFOSZ-LLVKDONJSA-N -1 1 388.388 0.812 20 0 GCADMM Cc1onc(CC(=O)N2CCO[C@H](c3noc(C(C)C)n3)C2)c1-c1nnn[n-]1 ZINC000826344301 609503574 /nfs/dbraw/zinc/50/35/74/609503574.db2.gz CXMVSCNDBSPSMW-NSHDSACASA-N -1 1 388.388 0.812 20 0 GCADMM Cc1onc(CC(=O)N2CCO[C@H](c3noc(C(C)C)n3)C2)c1-c1nn[n-]n1 ZINC000826344301 609503575 /nfs/dbraw/zinc/50/35/75/609503575.db2.gz CXMVSCNDBSPSMW-NSHDSACASA-N -1 1 388.388 0.812 20 0 GCADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@H]3CCCOC3)CC2)o1 ZINC000826323131 609525541 /nfs/dbraw/zinc/52/55/41/609525541.db2.gz RFQBDKSOBJGTQC-LBPRGKRZSA-N -1 1 393.473 0.724 20 0 GCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2/C=C/c2ccccc2)n(C)c1=O ZINC000826355901 609580098 /nfs/dbraw/zinc/58/00/98/609580098.db2.gz ROUPLKZYCRDDQN-VNDWYCCKSA-N -1 1 379.424 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COC(=O)c1c(NC(=O)C[C@H](n2ccnc2)C(F)(F)F)n[n-]c1OCCO ZINC001183789646 1205900856 /nfs/dbraw/zinc/90/08/56/1205900856.db2.gz GKKZGMOEGFPZMJ-QMMMGPOBSA-N -1 1 391.306 0.896 20 0 GCADMM COC(=O)c1c(NC(=O)C[C@H](n2ccnc2)C(F)(F)F)[n-]nc1OCCO ZINC001183789646 1205900857 /nfs/dbraw/zinc/90/08/57/1205900857.db2.gz GKKZGMOEGFPZMJ-QMMMGPOBSA-N -1 1 391.306 0.896 20 0 GCADMM COC(=O)c1c(NC(=O)c2cccc(C[S@](C)=O)c2)n[n-]c1OCCO ZINC001183790214 1205900907 /nfs/dbraw/zinc/90/09/07/1205900907.db2.gz MGQCFSFNHKEZNY-SANMLTNESA-N -1 1 381.410 0.698 20 0 GCADMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1cccc(C[S@](C)=O)c1 ZINC001183790214 1205900908 /nfs/dbraw/zinc/90/09/08/1205900908.db2.gz MGQCFSFNHKEZNY-SANMLTNESA-N -1 1 381.410 0.698 20 0 GCADMM CCOC(=O)C1(NC(=O)COc2ccc(OCC(=O)[O-])cc2)CCN(C)CC1 ZINC001183909905 1205902821 /nfs/dbraw/zinc/90/28/21/1205902821.db2.gz LECDJBCBIBSHBC-UHFFFAOYSA-N -1 1 394.424 0.673 20 0 GCADMM CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183912286 1205902879 /nfs/dbraw/zinc/90/28/79/1205902879.db2.gz CKHPJSZQLFTKLY-HNNXBMFYSA-N -1 1 391.380 0.543 20 0 GCADMM Cc1cccc2ccn(CC(=O)NCCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c21 ZINC001184195617 1205906762 /nfs/dbraw/zinc/90/67/62/1205906762.db2.gz UGLBGTKEYWGWJP-INIZCTEOSA-N -1 1 397.435 0.991 20 0 GCADMM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000472165611 1205911230 /nfs/dbraw/zinc/91/12/30/1205911230.db2.gz QKHARLOXLMUKCI-GOSISDBHSA-N -1 1 384.396 0.639 20 0 GCADMM Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000472165612 1205911269 /nfs/dbraw/zinc/91/12/69/1205911269.db2.gz QKHARLOXLMUKCI-SFHVURJKSA-N -1 1 384.396 0.639 20 0 GCADMM COc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)cc1C(=O)[O-] ZINC001185269368 1205920122 /nfs/dbraw/zinc/92/01/22/1205920122.db2.gz KKYFJOODFZMGDY-UHFFFAOYSA-N -1 1 394.409 0.821 20 0 GCADMM COc1ccc(S(=O)(=O)N2CCO[C@H](CN3CCCC3)C2)cc1C(=O)[O-] ZINC001185300172 1205920857 /nfs/dbraw/zinc/92/08/57/1205920857.db2.gz RTRZAKWQKYDHLR-CYBMUJFWSA-N -1 1 384.454 0.879 20 0 GCADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)c1ccccn1 ZINC001185323438 1205921294 /nfs/dbraw/zinc/92/12/94/1205921294.db2.gz SBNGEYBXNXGXQX-CQSZACIVSA-N -1 1 380.378 0.981 20 0 GCADMM CC(C)(CC1CCOCC1)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001185324995 1205921394 /nfs/dbraw/zinc/92/13/94/1205921394.db2.gz HNRFLRGSMHUVKQ-HNNXBMFYSA-N -1 1 394.472 0.871 20 0 GCADMM COC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)c1ccccn1 ZINC001185323437 1205921435 /nfs/dbraw/zinc/92/14/35/1205921435.db2.gz SBNGEYBXNXGXQX-AWEZNQCLSA-N -1 1 380.378 0.981 20 0 GCADMM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)c1cnccn1 ZINC001185332370 1205921654 /nfs/dbraw/zinc/92/16/54/1205921654.db2.gz VPVZESGNTYYCBZ-CQSZACIVSA-N -1 1 395.393 0.766 20 0 GCADMM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001185827024 1205929419 /nfs/dbraw/zinc/92/94/19/1205929419.db2.gz MKDAWYCRWBNDNB-BDAKNGLRSA-N -1 1 397.388 0.207 20 0 GCADMM C[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)N1C(=O)NC2(CCCC2)C1=O ZINC000774940656 1205929764 /nfs/dbraw/zinc/92/97/64/1205929764.db2.gz GDYJDGBABVHMLB-SECBINFHSA-N -1 1 379.335 0.851 20 0 GCADMM C[NH+]1CCN(c2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ncn2)CC1 ZINC001186143128 1205935885 /nfs/dbraw/zinc/93/58/85/1205935885.db2.gz JJXVQHFXTLCNQS-UHFFFAOYSA-N -1 1 395.416 0.867 20 0 GCADMM CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1ccc([O-])c(F)c1)C2 ZINC001186219499 1205936937 /nfs/dbraw/zinc/93/69/37/1205936937.db2.gz UEJKLUYMVCTITA-UHFFFAOYSA-N -1 1 377.376 0.384 20 0 GCADMM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)NCc1nn[nH]n1)C(=O)[O-] ZINC001186679172 1205946657 /nfs/dbraw/zinc/94/66/57/1205946657.db2.gz ILYRJGUMZRVBKL-KGLIPLIRSA-N -1 1 388.428 0.290 20 0 GCADMM CNC(=O)[C@H](C)NC(=O)CCCCNC(=O)c1cc2ccc([O-])cc2oc1=O ZINC001186769247 1205948067 /nfs/dbraw/zinc/94/80/67/1205948067.db2.gz HCRIOPGNQRHWJL-NSHDSACASA-N -1 1 389.408 0.649 20 0 GCADMM O=C(CCCCNC(=O)c1cc2ccc([O-])cc2oc1=O)NCC1OCCO1 ZINC001186768820 1205948134 /nfs/dbraw/zinc/94/81/34/1205948134.db2.gz DDEDSDMMADKLRW-UHFFFAOYSA-N -1 1 390.392 0.888 20 0 GCADMM CC(C)(C)OC(=O)N1CC[C@@H](N2CCCC[C@H]2C(=O)NCc2nn[n-]n2)C1 ZINC001186844287 1205949223 /nfs/dbraw/zinc/94/92/23/1205949223.db2.gz AJNQHCDOZAYQGT-OLZOCXBDSA-N -1 1 379.465 0.680 20 0 GCADMM COc1nscc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccc(OC)c(O)c1 ZINC001187268229 1205958874 /nfs/dbraw/zinc/95/88/74/1205958874.db2.gz RXCSLWYJZJYZRR-LLVKDONJSA-N -1 1 388.467 0.995 20 0 GCADMM COC(=O)[C@@H](CC[N-]S(=O)(=O)c1nccs1)NC(=O)OC(C)(C)C ZINC001187918852 1205971551 /nfs/dbraw/zinc/97/15/51/1205971551.db2.gz OSPBXBQFKWGLKJ-SECBINFHSA-N -1 1 379.460 0.878 20 0 GCADMM COC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ccc(F)c(F)c1 ZINC001188750887 1205990262 /nfs/dbraw/zinc/99/02/62/1205990262.db2.gz INUHIWRQWKUVIX-LLVKDONJSA-N -1 1 375.353 0.430 20 0 GCADMM O=C1C[C@@H](C[N-]S(=O)(=O)c2cc(F)c(Br)c(F)c2)C(=O)N1 ZINC001189055061 1205994715 /nfs/dbraw/zinc/99/47/15/1205994715.db2.gz OCBIWVYNQAEPHB-YFKPBYRVSA-N -1 1 383.170 0.668 20 0 GCADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1[nH]ncc1I ZINC001189130552 1205997040 /nfs/dbraw/zinc/99/70/40/1205997040.db2.gz XLDWFWYKLRAAJC-UHFFFAOYSA-N -1 1 376.070 0.866 20 0 GCADMM CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189690786 1206013769 /nfs/dbraw/zinc/01/37/69/1206013769.db2.gz XIAHYKOPBKCMGX-CQSZACIVSA-N -1 1 379.394 0.959 20 0 GCADMM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)s1 ZINC001189980567 1206023894 /nfs/dbraw/zinc/02/38/94/1206023894.db2.gz HGKWPMJHWRFDPD-FQEVSTJZSA-N -1 1 389.546 0.451 20 0 GCADMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC001190134663 1206026336 /nfs/dbraw/zinc/02/63/36/1206026336.db2.gz AZKQWMPVRJNJNJ-VHSXEESVSA-N -1 1 383.442 0.746 20 0 GCADMM COc1nc(S(=O)(=O)[N-]c2cnn(C)c(=O)c2Br)ccc1F ZINC001190131628 1206028298 /nfs/dbraw/zinc/02/82/98/1206028298.db2.gz JSPAMOUAVNEGIT-UHFFFAOYSA-N -1 1 393.194 0.886 20 0 GCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(CN3CCOCC3)on2)c1 ZINC001190203476 1206029880 /nfs/dbraw/zinc/02/98/80/1206029880.db2.gz SGKJBKQRJIWVBC-UHFFFAOYSA-N -1 1 396.425 0.373 20 0 GCADMM CS(=O)(=O)c1cccc([C@H](CO)[N-]S(=O)(=O)c2ncc(F)cc2F)c1 ZINC001190216894 1206031094 /nfs/dbraw/zinc/03/10/94/1206031094.db2.gz BLSPUUOORAEFQS-ZDUSSCGKSA-N -1 1 392.405 0.775 20 0 GCADMM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190262671 1206031711 /nfs/dbraw/zinc/03/17/11/1206031711.db2.gz UTVRUWWETMRFBB-CQSZACIVSA-N -1 1 384.392 0.743 20 0 GCADMM Cn1cnnc1S(=O)(=O)[N-][C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001190372113 1206033590 /nfs/dbraw/zinc/03/35/90/1206033590.db2.gz BZKRCIMWYCRRER-SECBINFHSA-N -1 1 381.405 0.738 20 0 GCADMM COC(=O)[C@@H]1CN(C(=O)c2cnc(-c3ccccn3)[n-]c2=O)CCN1C(C)=O ZINC001190628590 1206040736 /nfs/dbraw/zinc/04/07/36/1206040736.db2.gz RJCLEQHWDQMPJR-AWEZNQCLSA-N -1 1 385.380 0.090 20 0 GCADMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)c(C)c1OC ZINC001190888730 1206049755 /nfs/dbraw/zinc/04/97/55/1206049755.db2.gz JWNMFZGGANBACY-SNVBAGLBSA-N -1 1 383.426 0.851 20 0 GCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1ccc(=O)[nH]c1Cl ZINC001190917450 1206051047 /nfs/dbraw/zinc/05/10/47/1206051047.db2.gz DDWMTSBZVFCCRY-JTQLQIEISA-N -1 1 381.776 0.096 20 0 GCADMM